USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 767 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 70 ASN : amide:sc= 0.283 X(o=0.19,f=0.24) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= -0.0926 USER MOD Set 2.1: A 26 MET CE :methyl -160:sc= -1.41 (180deg=-1.57) USER MOD Set 2.2: A 40 HIS : no HD1:sc= -1.66 K(o=-3.1,f=-5.5) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.0121 X(o=-0.22,f=-0.24) USER MOD Set 3.2: A 22 HIS : no HD1:sc= -0.203 X(o=-0.22,f=-0.24) USER MOD Set 3.3: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.357 (180deg=-0.00301) USER MOD Single : A 3 ASN : amide:sc=-0.00257 X(o=-0.0026,f=-0.061) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0192) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -75:sc= 0.324 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 48 ASN : amide:sc= -0.974 X(o=-0.97,f=-0.64) USER MOD Single : A 50 ASN : amide:sc=-0.00503 X(o=-0.005,f=-0.043) USER MOD Single : A 53 SER OG : rot 180:sc= -0.013 USER MOD Single : A 60 SER OG : rot 71:sc= 0.425 USER MOD Single : A 67 THR OG1 : rot -91:sc= 1.36 USER MOD Single : A 72 THR OG1 : rot 75:sc= 0.138 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -59:sc= 0.408 USER MOD Single : A 97 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.195 9.330 3.759 1.00 0.00 N ATOM 2 CA MET A 1 -13.817 10.410 4.713 1.00 0.00 C ATOM 3 C MET A 1 -12.356 10.838 4.541 1.00 0.00 C ATOM 4 O MET A 1 -12.041 12.025 4.630 1.00 0.00 O ATOM 5 CB MET A 1 -14.064 9.913 6.142 1.00 0.00 C ATOM 6 CG MET A 1 -13.967 11.005 7.197 1.00 0.00 C ATOM 7 SD MET A 1 -15.500 11.939 7.379 1.00 0.00 S ATOM 8 CE MET A 1 -14.863 13.551 7.835 1.00 0.00 C ATOM 0 H1 MET A 1 -15.198 9.428 3.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.611 9.404 2.902 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.040 8.403 4.205 1.00 0.00 H new ATOM 0 HA MET A 1 -14.431 11.287 4.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.053 9.459 6.193 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.342 9.131 6.375 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.704 10.556 8.155 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.160 11.688 6.933 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.693 14.242 7.983 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.291 13.468 8.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.217 13.925 7.041 1.00 0.00 H new ATOM 20 N VAL A 2 -11.472 9.867 4.296 1.00 0.00 N ATOM 21 CA VAL A 2 -10.044 10.151 4.115 1.00 0.00 C ATOM 22 C VAL A 2 -9.583 9.860 2.685 1.00 0.00 C ATOM 23 O VAL A 2 -10.304 9.234 1.904 1.00 0.00 O ATOM 24 CB VAL A 2 -9.170 9.338 5.097 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.461 9.737 6.536 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.377 7.843 4.898 1.00 0.00 C ATOM 0 H VAL A 2 -11.718 8.880 4.218 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.919 11.214 4.320 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.125 9.565 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.835 9.152 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.247 10.797 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.511 9.548 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.751 7.292 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.424 7.594 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.104 7.570 3.878 1.00 0.00 H new ATOM 36 N ASN A 3 -8.372 10.318 2.353 1.00 0.00 N ATOM 37 CA ASN A 3 -7.803 10.110 1.021 1.00 0.00 C ATOM 38 C ASN A 3 -6.275 10.065 1.075 1.00 0.00 C ATOM 39 O ASN A 3 -5.642 10.923 1.694 1.00 0.00 O ATOM 40 CB ASN A 3 -8.260 11.218 0.064 1.00 0.00 C ATOM 41 CG ASN A 3 -7.939 12.609 0.582 1.00 0.00 C ATOM 42 OD1 ASN A 3 -8.656 13.149 1.424 1.00 0.00 O ATOM 43 ND2 ASN A 3 -6.857 13.198 0.082 1.00 0.00 N ATOM 0 H ASN A 3 -7.767 10.836 2.991 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.162 9.150 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.781 11.076 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.335 11.134 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.594 14.133 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.290 12.715 -0.615 1.00 0.00 H new ATOM 50 N VAL A 4 -5.691 9.062 0.419 1.00 0.00 N ATOM 51 CA VAL A 4 -4.237 8.903 0.387 1.00 0.00 C ATOM 52 C VAL A 4 -3.744 8.652 -1.038 1.00 0.00 C ATOM 53 O VAL A 4 -4.140 7.674 -1.677 1.00 0.00 O ATOM 54 CB VAL A 4 -3.763 7.747 1.295 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.822 8.153 2.761 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.586 6.488 1.049 1.00 0.00 C ATOM 0 H VAL A 4 -6.203 8.347 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.814 9.836 0.761 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.726 7.525 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.484 7.324 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.177 9.016 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.847 8.410 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.232 5.689 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.635 6.692 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.480 6.181 0.008 1.00 0.00 H new ATOM 66 N LYS A 5 -2.878 9.538 -1.531 1.00 0.00 N ATOM 67 CA LYS A 5 -2.330 9.410 -2.881 1.00 0.00 C ATOM 68 C LYS A 5 -1.091 8.513 -2.879 1.00 0.00 C ATOM 69 O LYS A 5 -0.003 8.943 -2.493 1.00 0.00 O ATOM 70 CB LYS A 5 -1.980 10.792 -3.448 1.00 0.00 C ATOM 71 CG LYS A 5 -1.804 10.810 -4.961 1.00 0.00 C ATOM 72 CD LYS A 5 -2.839 11.699 -5.636 1.00 0.00 C ATOM 73 CE LYS A 5 -2.439 13.169 -5.592 1.00 0.00 C ATOM 74 NZ LYS A 5 -1.548 13.547 -6.727 1.00 0.00 N ATOM 0 H LYS A 5 -2.541 10.351 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.088 8.951 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.766 11.496 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.060 11.144 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.803 11.165 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.887 9.795 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.964 11.388 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.804 11.570 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.336 13.788 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.932 13.377 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.303 14.555 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.680 12.976 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.040 13.374 -7.627 1.00 0.00 H new ATOM 88 N VAL A 6 -1.268 7.264 -3.312 1.00 0.00 N ATOM 89 CA VAL A 6 -0.168 6.302 -3.360 1.00 0.00 C ATOM 90 C VAL A 6 0.400 6.190 -4.770 1.00 0.00 C ATOM 91 O VAL A 6 -0.343 6.227 -5.752 1.00 0.00 O ATOM 92 CB VAL A 6 -0.612 4.898 -2.895 1.00 0.00 C ATOM 93 CG1 VAL A 6 0.593 4.018 -2.592 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.520 4.994 -1.678 1.00 0.00 C ATOM 0 H VAL A 6 -2.163 6.896 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 6 0.599 6.675 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.174 4.438 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.253 3.035 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.202 3.913 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.188 4.476 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.820 3.993 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.985 5.481 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.406 5.577 -1.930 1.00 0.00 H new ATOM 104 N GLU A 7 1.720 6.046 -4.863 1.00 0.00 N ATOM 105 CA GLU A 7 2.386 5.922 -6.153 1.00 0.00 C ATOM 106 C GLU A 7 3.095 4.575 -6.273 1.00 0.00 C ATOM 107 O GLU A 7 4.173 4.379 -5.709 1.00 0.00 O ATOM 108 CB GLU A 7 3.388 7.063 -6.348 1.00 0.00 C ATOM 109 CG GLU A 7 2.790 8.297 -7.008 1.00 0.00 C ATOM 110 CD GLU A 7 3.155 9.582 -6.287 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.365 9.878 -6.174 1.00 0.00 O ATOM 112 OE2 GLU A 7 2.231 10.294 -5.839 1.00 0.00 O ATOM 0 H GLU A 7 2.347 6.013 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 7 1.627 5.981 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.799 7.344 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.220 6.705 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.134 8.354 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.705 8.198 -7.038 1.00 0.00 H new ATOM 119 N PHE A 8 2.481 3.651 -7.011 1.00 0.00 N ATOM 120 CA PHE A 8 3.050 2.319 -7.208 1.00 0.00 C ATOM 121 C PHE A 8 3.990 2.297 -8.410 1.00 0.00 C ATOM 122 O PHE A 8 3.652 2.792 -9.486 1.00 0.00 O ATOM 123 CB PHE A 8 1.937 1.285 -7.394 1.00 0.00 C ATOM 124 CG PHE A 8 1.145 1.021 -6.142 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.559 0.058 -5.235 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.014 1.733 -5.875 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.835 -0.187 -4.085 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.743 1.491 -4.726 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.318 0.529 -3.830 1.00 0.00 C ATOM 0 H PHE A 8 1.589 3.801 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 8 3.625 2.065 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.260 1.629 -8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.376 0.349 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.458 -0.507 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.351 2.485 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.170 -0.938 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.644 2.053 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.886 0.337 -2.932 1.00 0.00 H new ATOM 139 N LEU A 9 5.179 1.728 -8.207 1.00 0.00 N ATOM 140 CA LEU A 9 6.189 1.644 -9.259 1.00 0.00 C ATOM 141 C LEU A 9 6.894 0.287 -9.243 1.00 0.00 C ATOM 142 O LEU A 9 6.649 -0.545 -8.365 1.00 0.00 O ATOM 143 CB LEU A 9 7.217 2.766 -9.084 1.00 0.00 C ATOM 144 CG LEU A 9 6.724 4.167 -9.455 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.890 4.758 -8.328 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.898 5.076 -9.781 1.00 0.00 C ATOM 0 H LEU A 9 5.466 1.317 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 9 5.688 1.755 -10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.545 2.777 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.092 2.533 -9.692 1.00 0.00 H new ATOM 0 HG LEU A 9 6.094 4.085 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.549 5.754 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.027 4.119 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.495 4.825 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.529 6.068 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.553 5.150 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.455 4.663 -10.622 1.00 0.00 H new ATOM 158 N GLY A 10 7.777 0.075 -10.221 1.00 0.00 N ATOM 159 CA GLY A 10 8.517 -1.173 -10.310 1.00 0.00 C ATOM 160 C GLY A 10 7.708 -2.287 -10.947 1.00 0.00 C ATOM 161 O GLY A 10 7.792 -2.509 -12.156 1.00 0.00 O ATOM 0 H GLY A 10 7.992 0.750 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.426 -1.012 -10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.827 -1.479 -9.311 1.00 0.00 H new ATOM 165 N GLY A 11 6.921 -2.985 -10.127 1.00 0.00 N ATOM 166 CA GLY A 11 6.096 -4.077 -10.622 1.00 0.00 C ATOM 167 C GLY A 11 4.783 -4.218 -9.863 1.00 0.00 C ATOM 168 O GLY A 11 4.230 -5.315 -9.775 1.00 0.00 O ATOM 0 H GLY A 11 6.841 -2.812 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.884 -3.915 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.655 -5.010 -10.548 1.00 0.00 H new ATOM 172 N LEU A 12 4.286 -3.105 -9.318 1.00 0.00 N ATOM 173 CA LEU A 12 3.032 -3.103 -8.565 1.00 0.00 C ATOM 174 C LEU A 12 1.910 -2.461 -9.379 1.00 0.00 C ATOM 175 O LEU A 12 0.805 -2.999 -9.464 1.00 0.00 O ATOM 176 CB LEU A 12 3.212 -2.359 -7.240 1.00 0.00 C ATOM 177 CG LEU A 12 3.224 -3.251 -6.000 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.181 -2.697 -4.954 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.816 -3.387 -5.433 1.00 0.00 C ATOM 0 H LEU A 12 4.735 -2.192 -9.385 1.00 0.00 H new ATOM 0 HA LEU A 12 2.757 -4.137 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.147 -1.801 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.409 -1.629 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 12 3.574 -4.243 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.177 -3.345 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.188 -2.654 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.864 -1.695 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.840 -4.025 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.437 -2.402 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.163 -3.831 -6.184 1.00 0.00 H new ATOM 191 N ASP A 13 2.210 -1.309 -9.982 1.00 0.00 N ATOM 192 CA ASP A 13 1.239 -0.583 -10.806 1.00 0.00 C ATOM 193 C ASP A 13 0.766 -1.432 -11.989 1.00 0.00 C ATOM 194 O ASP A 13 -0.341 -1.238 -12.494 1.00 0.00 O ATOM 195 CB ASP A 13 1.843 0.730 -11.322 1.00 0.00 C ATOM 196 CG ASP A 13 3.156 0.526 -12.059 1.00 0.00 C ATOM 197 OD1 ASP A 13 4.178 0.257 -11.392 1.00 0.00 O ATOM 198 OD2 ASP A 13 3.161 0.635 -13.303 1.00 0.00 O ATOM 0 H ASP A 13 3.122 -0.856 -9.915 1.00 0.00 H new ATOM 0 HA ASP A 13 0.378 -0.359 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.130 1.215 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.005 1.405 -10.482 1.00 0.00 H new ATOM 203 N ALA A 14 1.609 -2.373 -12.425 1.00 0.00 N ATOM 204 CA ALA A 14 1.270 -3.250 -13.545 1.00 0.00 C ATOM 205 C ALA A 14 0.029 -4.080 -13.228 1.00 0.00 C ATOM 206 O ALA A 14 -0.799 -4.336 -14.102 1.00 0.00 O ATOM 207 CB ALA A 14 2.443 -4.160 -13.886 1.00 0.00 C ATOM 0 H ALA A 14 2.529 -2.545 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 14 1.052 -2.625 -14.411 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.172 -4.805 -14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.306 -3.554 -14.161 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.692 -4.773 -13.020 1.00 0.00 H new ATOM 213 N ILE A 15 -0.089 -4.494 -11.968 1.00 0.00 N ATOM 214 CA ILE A 15 -1.224 -5.292 -11.519 1.00 0.00 C ATOM 215 C ILE A 15 -2.467 -4.422 -11.328 1.00 0.00 C ATOM 216 O ILE A 15 -3.577 -4.826 -11.673 1.00 0.00 O ATOM 217 CB ILE A 15 -0.909 -6.013 -10.193 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.416 -6.775 -10.295 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.042 -6.958 -9.819 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.286 -6.649 -9.063 1.00 0.00 C ATOM 0 H ILE A 15 0.592 -4.288 -11.238 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.418 -6.034 -12.294 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.812 -5.263 -9.408 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.206 -7.829 -10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.970 -6.409 -11.159 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.803 -7.459 -8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.966 -6.391 -9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.170 -7.702 -10.605 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.207 -7.214 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.527 -5.600 -8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.751 -7.042 -8.198 1.00 0.00 H new ATOM 232 N PHE A 16 -2.269 -3.227 -10.772 1.00 0.00 N ATOM 233 CA PHE A 16 -3.371 -2.296 -10.529 1.00 0.00 C ATOM 234 C PHE A 16 -4.024 -1.845 -11.837 1.00 0.00 C ATOM 235 O PHE A 16 -5.220 -1.551 -11.870 1.00 0.00 O ATOM 236 CB PHE A 16 -2.874 -1.071 -9.756 1.00 0.00 C ATOM 237 CG PHE A 16 -2.691 -1.307 -8.279 1.00 0.00 C ATOM 238 CD1 PHE A 16 -1.940 -2.377 -7.813 1.00 0.00 C ATOM 239 CD2 PHE A 16 -3.270 -0.451 -7.356 1.00 0.00 C ATOM 240 CE1 PHE A 16 -1.772 -2.586 -6.458 1.00 0.00 C ATOM 241 CE2 PHE A 16 -3.104 -0.655 -6.000 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.355 -1.724 -5.550 1.00 0.00 C ATOM 0 H PHE A 16 -1.355 -2.880 -10.481 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.119 -2.822 -9.936 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.924 -0.747 -10.182 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.582 -0.254 -9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.481 -3.054 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.858 0.386 -7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.185 -3.423 -6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.560 0.021 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.225 -1.886 -4.490 1.00 0.00 H new ATOM 252 N GLY A 17 -3.230 -1.783 -12.906 1.00 0.00 N ATOM 253 CA GLY A 17 -3.741 -1.359 -14.200 1.00 0.00 C ATOM 254 C GLY A 17 -2.936 -0.214 -14.788 1.00 0.00 C ATOM 255 O GLY A 17 -3.503 0.773 -15.260 1.00 0.00 O ATOM 0 H GLY A 17 -2.238 -2.020 -12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.725 -2.203 -14.889 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.782 -1.053 -14.095 1.00 0.00 H new ATOM 259 N LYS A 18 -1.609 -0.344 -14.750 1.00 0.00 N ATOM 260 CA LYS A 18 -0.707 0.684 -15.272 1.00 0.00 C ATOM 261 C LYS A 18 -0.964 2.037 -14.600 1.00 0.00 C ATOM 262 O LYS A 18 -0.835 3.088 -15.231 1.00 0.00 O ATOM 263 CB LYS A 18 -0.859 0.815 -16.793 1.00 0.00 C ATOM 264 CG LYS A 18 -0.665 -0.493 -17.545 1.00 0.00 C ATOM 265 CD LYS A 18 0.192 -0.300 -18.787 1.00 0.00 C ATOM 266 CE LYS A 18 1.648 -0.663 -18.528 1.00 0.00 C ATOM 267 NZ LYS A 18 2.474 0.530 -18.178 1.00 0.00 N ATOM 0 H LYS A 18 -1.132 -1.157 -14.360 1.00 0.00 H new ATOM 0 HA LYS A 18 0.314 0.376 -15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.851 1.208 -17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.137 1.544 -17.159 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.196 -1.225 -16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.636 -0.897 -17.831 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.198 -0.916 -19.598 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.128 0.737 -19.116 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.701 -1.389 -17.717 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.064 -1.143 -19.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.457 0.235 -18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.447 1.213 -18.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.095 0.975 -17.318 1.00 0.00 H new ATOM 281 N GLN A 19 -1.322 2.004 -13.314 1.00 0.00 N ATOM 282 CA GLN A 19 -1.591 3.226 -12.562 1.00 0.00 C ATOM 283 C GLN A 19 -0.404 3.584 -11.671 1.00 0.00 C ATOM 284 O GLN A 19 -0.258 3.047 -10.572 1.00 0.00 O ATOM 285 CB GLN A 19 -2.858 3.069 -11.712 1.00 0.00 C ATOM 286 CG GLN A 19 -3.707 4.331 -11.642 1.00 0.00 C ATOM 287 CD GLN A 19 -4.791 4.365 -12.705 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.503 4.311 -13.899 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.046 4.454 -12.276 1.00 0.00 N ATOM 0 H GLN A 19 -1.431 1.145 -12.775 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.747 4.035 -13.276 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.461 2.258 -12.121 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.573 2.777 -10.701 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.167 4.401 -10.656 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.064 5.204 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.241 4.496 -11.276 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.814 4.480 -12.947 1.00 0.00 H new ATOM 298 N ARG A 20 0.441 4.497 -12.154 1.00 0.00 N ATOM 299 CA ARG A 20 1.616 4.933 -11.398 1.00 0.00 C ATOM 300 C ARG A 20 1.207 5.562 -10.065 1.00 0.00 C ATOM 301 O ARG A 20 1.939 5.470 -9.081 1.00 0.00 O ATOM 302 CB ARG A 20 2.445 5.928 -12.219 1.00 0.00 C ATOM 303 CG ARG A 20 3.688 5.313 -12.846 1.00 0.00 C ATOM 304 CD ARG A 20 4.934 5.611 -12.025 1.00 0.00 C ATOM 305 NE ARG A 20 5.583 6.858 -12.433 1.00 0.00 N ATOM 306 CZ ARG A 20 6.367 6.978 -13.510 1.00 0.00 C ATOM 307 NH1 ARG A 20 6.596 5.931 -14.299 1.00 0.00 N ATOM 308 NH2 ARG A 20 6.920 8.151 -13.799 1.00 0.00 N ATOM 0 H ARG A 20 0.334 4.948 -13.063 1.00 0.00 H new ATOM 0 HA ARG A 20 2.226 4.054 -11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.819 6.346 -13.008 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.744 6.756 -11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.557 4.234 -12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.816 5.700 -13.857 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.665 5.672 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.640 4.786 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 20 5.428 7.687 -11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.172 5.028 -14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.195 6.031 -15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.746 8.958 -13.200 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.518 8.244 -14.620 1.00 0.00 H new ATOM 322 N VAL A 21 0.030 6.198 -10.041 1.00 0.00 N ATOM 323 CA VAL A 21 -0.478 6.835 -8.828 1.00 0.00 C ATOM 324 C VAL A 21 -1.983 6.604 -8.679 1.00 0.00 C ATOM 325 O VAL A 21 -2.754 6.854 -9.609 1.00 0.00 O ATOM 326 CB VAL A 21 -0.180 8.352 -8.817 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.820 9.040 -10.014 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.647 8.987 -7.513 1.00 0.00 C ATOM 0 H VAL A 21 -0.586 6.283 -10.850 1.00 0.00 H new ATOM 0 HA VAL A 21 0.038 6.376 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 21 0.900 8.484 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.596 10.106 -9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.423 8.612 -10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.900 8.895 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.427 10.054 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.721 8.840 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.128 8.522 -6.675 1.00 0.00 H new ATOM 338 N HIS A 22 -2.394 6.119 -7.507 1.00 0.00 N ATOM 339 CA HIS A 22 -3.803 5.846 -7.238 1.00 0.00 C ATOM 340 C HIS A 22 -4.189 6.286 -5.825 1.00 0.00 C ATOM 341 O HIS A 22 -3.432 6.082 -4.874 1.00 0.00 O ATOM 342 CB HIS A 22 -4.091 4.351 -7.420 1.00 0.00 C ATOM 343 CG HIS A 22 -5.383 4.061 -8.125 1.00 0.00 C ATOM 344 ND1 HIS A 22 -5.658 2.845 -8.715 1.00 0.00 N ATOM 345 CD2 HIS A 22 -6.480 4.831 -8.330 1.00 0.00 C ATOM 346 CE1 HIS A 22 -6.864 2.880 -9.252 1.00 0.00 C ATOM 347 NE2 HIS A 22 -7.384 4.073 -9.032 1.00 0.00 N ATOM 0 H HIS A 22 -1.769 5.907 -6.729 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.402 6.417 -7.947 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.273 3.899 -7.981 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.108 3.873 -6.441 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.617 5.851 -8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.343 2.070 -9.781 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.308 4.382 -9.335 1.00 0.00 H new ATOM 356 N LYS A 23 -5.371 6.893 -5.696 1.00 0.00 N ATOM 357 CA LYS A 23 -5.860 7.366 -4.401 1.00 0.00 C ATOM 358 C LYS A 23 -6.744 6.316 -3.725 1.00 0.00 C ATOM 359 O LYS A 23 -7.519 5.624 -4.387 1.00 0.00 O ATOM 360 CB LYS A 23 -6.640 8.674 -4.571 1.00 0.00 C ATOM 361 CG LYS A 23 -5.936 9.885 -3.981 1.00 0.00 C ATOM 362 CD LYS A 23 -6.929 10.888 -3.411 1.00 0.00 C ATOM 363 CE LYS A 23 -7.202 12.022 -4.388 1.00 0.00 C ATOM 364 NZ LYS A 23 -6.268 13.167 -4.189 1.00 0.00 N ATOM 0 H LYS A 23 -6.007 7.068 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.994 7.545 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.814 8.848 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.618 8.568 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.253 9.562 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.333 10.367 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.863 10.380 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.540 11.296 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.109 11.651 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.229 12.366 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.420 13.873 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.445 13.602 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.287 12.826 -4.230 1.00 0.00 H new ATOM 378 N ILE A 24 -6.619 6.208 -2.399 1.00 0.00 N ATOM 379 CA ILE A 24 -7.399 5.244 -1.619 1.00 0.00 C ATOM 380 C ILE A 24 -8.242 5.945 -0.550 1.00 0.00 C ATOM 381 O ILE A 24 -7.843 6.982 -0.015 1.00 0.00 O ATOM 382 CB ILE A 24 -6.478 4.205 -0.935 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.464 3.642 -1.936 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.296 3.079 -0.316 1.00 0.00 C ATOM 385 CD1 ILE A 24 -6.097 2.918 -3.108 1.00 0.00 C ATOM 0 H ILE A 24 -5.983 6.779 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.062 4.733 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.933 4.709 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.850 4.459 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.796 2.956 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.627 2.361 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.975 3.491 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.872 2.578 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.316 2.548 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.688 2.079 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.743 3.605 -3.655 1.00 0.00 H new ATOM 397 N LYS A 25 -9.409 5.368 -0.244 1.00 0.00 N ATOM 398 CA LYS A 25 -10.314 5.929 0.763 1.00 0.00 C ATOM 399 C LYS A 25 -10.807 4.844 1.728 1.00 0.00 C ATOM 400 O LYS A 25 -11.336 3.816 1.301 1.00 0.00 O ATOM 401 CB LYS A 25 -11.510 6.613 0.087 1.00 0.00 C ATOM 402 CG LYS A 25 -12.183 5.770 -0.989 1.00 0.00 C ATOM 403 CD LYS A 25 -13.688 5.996 -1.020 1.00 0.00 C ATOM 404 CE LYS A 25 -14.074 7.058 -2.042 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.996 8.081 -1.469 1.00 0.00 N ATOM 0 H LYS A 25 -9.749 4.511 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.758 6.671 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.247 6.867 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.175 7.550 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.758 6.015 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.977 4.715 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.192 5.060 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.031 6.300 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.174 7.549 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.551 6.580 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.232 8.783 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.867 7.618 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.533 8.556 -0.668 1.00 0.00 H new ATOM 419 N MET A 26 -10.627 5.082 3.031 1.00 0.00 N ATOM 420 CA MET A 26 -11.049 4.128 4.059 1.00 0.00 C ATOM 421 C MET A 26 -12.021 4.773 5.050 1.00 0.00 C ATOM 422 O MET A 26 -11.867 5.941 5.414 1.00 0.00 O ATOM 423 CB MET A 26 -9.827 3.587 4.811 1.00 0.00 C ATOM 424 CG MET A 26 -9.498 2.139 4.483 1.00 0.00 C ATOM 425 SD MET A 26 -8.381 1.389 5.686 1.00 0.00 S ATOM 426 CE MET A 26 -9.032 -0.280 5.778 1.00 0.00 C ATOM 0 H MET A 26 -10.191 5.928 3.398 1.00 0.00 H new ATOM 0 HA MET A 26 -11.563 3.306 3.561 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.963 4.209 4.576 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.002 3.676 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.421 1.561 4.441 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.046 2.089 3.493 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.699 -0.750 6.704 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.121 -0.247 5.759 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.672 -0.859 4.927 1.00 0.00 H new ATOM 436 N ASP A 27 -13.019 4.001 5.485 1.00 0.00 N ATOM 437 CA ASP A 27 -14.015 4.492 6.436 1.00 0.00 C ATOM 438 C ASP A 27 -14.335 3.430 7.489 1.00 0.00 C ATOM 439 O ASP A 27 -15.081 2.485 7.221 1.00 0.00 O ATOM 440 CB ASP A 27 -15.293 4.903 5.699 1.00 0.00 C ATOM 441 CG ASP A 27 -15.201 6.299 5.115 1.00 0.00 C ATOM 442 OD1 ASP A 27 -14.623 6.449 4.018 1.00 0.00 O ATOM 443 OD2 ASP A 27 -15.707 7.245 5.752 1.00 0.00 O ATOM 0 H ASP A 27 -13.158 3.034 5.193 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.600 5.363 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.493 4.190 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.137 4.855 6.387 1.00 0.00 H new ATOM 448 N LYS A 28 -13.767 3.590 8.687 1.00 0.00 N ATOM 449 CA LYS A 28 -13.996 2.640 9.777 1.00 0.00 C ATOM 450 C LYS A 28 -13.926 3.326 11.142 1.00 0.00 C ATOM 451 O LYS A 28 -14.940 3.459 11.830 1.00 0.00 O ATOM 452 CB LYS A 28 -12.979 1.493 9.706 1.00 0.00 C ATOM 453 CG LYS A 28 -13.144 0.457 10.808 1.00 0.00 C ATOM 454 CD LYS A 28 -12.421 -0.837 10.472 1.00 0.00 C ATOM 455 CE LYS A 28 -13.100 -2.035 11.116 1.00 0.00 C ATOM 456 NZ LYS A 28 -12.452 -2.418 12.402 1.00 0.00 N ATOM 0 H LYS A 28 -13.148 4.365 8.926 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.000 2.233 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.070 0.999 8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.973 1.908 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.758 0.857 11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.204 0.253 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.394 -0.970 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.387 -0.777 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.150 -1.804 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.071 -2.881 10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.945 -3.239 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.456 -2.663 12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.502 -1.620 13.067 1.00 0.00 H new ATOM 470 N GLU A 29 -12.726 3.750 11.528 1.00 0.00 N ATOM 471 CA GLU A 29 -12.514 4.417 12.815 1.00 0.00 C ATOM 472 C GLU A 29 -11.575 5.614 12.664 1.00 0.00 C ATOM 473 O GLU A 29 -11.132 5.928 11.558 1.00 0.00 O ATOM 474 CB GLU A 29 -11.943 3.426 13.838 1.00 0.00 C ATOM 475 CG GLU A 29 -10.699 2.696 13.355 1.00 0.00 C ATOM 476 CD GLU A 29 -10.439 1.413 14.120 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.169 0.423 13.888 1.00 0.00 O ATOM 478 OE2 GLU A 29 -9.507 1.397 14.952 1.00 0.00 O ATOM 0 H GLU A 29 -11.880 3.644 10.967 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.478 4.781 13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.705 3.963 14.756 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.710 2.693 14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.806 2.467 12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.836 3.354 13.453 1.00 0.00 H new ATOM 485 N ASP A 30 -11.277 6.282 13.780 1.00 0.00 N ATOM 486 CA ASP A 30 -10.391 7.445 13.761 1.00 0.00 C ATOM 487 C ASP A 30 -8.920 7.025 13.706 1.00 0.00 C ATOM 488 O ASP A 30 -8.203 7.410 12.782 1.00 0.00 O ATOM 489 CB ASP A 30 -10.643 8.340 14.980 1.00 0.00 C ATOM 490 CG ASP A 30 -11.706 9.390 14.717 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.446 10.311 13.914 1.00 0.00 O ATOM 492 OD2 ASP A 30 -12.798 9.292 15.315 1.00 0.00 O ATOM 0 H ASP A 30 -11.635 6.038 14.704 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.614 8.013 12.858 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.948 7.722 15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.713 8.832 15.265 1.00 0.00 H new ATOM 497 N PRO A 31 -8.442 6.233 14.690 1.00 0.00 N ATOM 498 CA PRO A 31 -7.046 5.779 14.726 1.00 0.00 C ATOM 499 C PRO A 31 -6.744 4.709 13.671 1.00 0.00 C ATOM 500 O PRO A 31 -6.372 3.581 14.002 1.00 0.00 O ATOM 501 CB PRO A 31 -6.900 5.208 16.138 1.00 0.00 C ATOM 502 CG PRO A 31 -8.271 4.758 16.506 1.00 0.00 C ATOM 503 CD PRO A 31 -9.218 5.722 15.843 1.00 0.00 C ATOM 0 HA PRO A 31 -6.349 6.587 14.503 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.192 4.379 16.159 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.530 5.961 16.834 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.451 3.738 16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.405 4.761 17.588 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.135 5.227 15.522 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.510 6.526 16.518 1.00 0.00 H new ATOM 511 N VAL A 32 -6.901 5.074 12.399 1.00 0.00 N ATOM 512 CA VAL A 32 -6.641 4.152 11.297 1.00 0.00 C ATOM 513 C VAL A 32 -5.141 4.016 11.048 1.00 0.00 C ATOM 514 O VAL A 32 -4.475 4.986 10.687 1.00 0.00 O ATOM 515 CB VAL A 32 -7.324 4.616 9.992 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.209 3.543 8.919 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.782 4.971 10.242 1.00 0.00 C ATOM 0 H VAL A 32 -7.207 6.002 12.107 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.056 3.187 11.587 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.813 5.512 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.696 3.887 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.157 3.343 8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.692 2.629 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.243 5.295 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.309 4.096 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.840 5.776 10.974 1.00 0.00 H new ATOM 527 N THR A 33 -4.614 2.807 11.241 1.00 0.00 N ATOM 528 CA THR A 33 -3.188 2.552 11.032 1.00 0.00 C ATOM 529 C THR A 33 -2.897 2.251 9.566 1.00 0.00 C ATOM 530 O THR A 33 -3.794 1.889 8.805 1.00 0.00 O ATOM 531 CB THR A 33 -2.710 1.390 11.912 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.476 0.223 11.670 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.786 1.689 13.395 1.00 0.00 C ATOM 0 H THR A 33 -5.150 1.992 11.540 1.00 0.00 H new ATOM 0 HA THR A 33 -2.644 3.453 11.315 1.00 0.00 H new ATOM 0 HB THR A 33 -1.665 1.238 11.640 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.152 -0.505 12.241 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.433 0.825 13.959 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.161 2.552 13.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.818 1.905 13.670 1.00 0.00 H new ATOM 541 N VAL A 34 -1.634 2.407 9.176 1.00 0.00 N ATOM 542 CA VAL A 34 -1.215 2.154 7.797 1.00 0.00 C ATOM 543 C VAL A 34 -1.529 0.722 7.367 1.00 0.00 C ATOM 544 O VAL A 34 -1.870 0.476 6.206 1.00 0.00 O ATOM 545 CB VAL A 34 0.285 2.440 7.611 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.137 1.419 8.348 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.648 2.487 6.134 1.00 0.00 C ATOM 0 H VAL A 34 -0.881 2.708 9.795 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.783 2.834 7.162 1.00 0.00 H new ATOM 0 HB VAL A 34 0.494 3.419 8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.192 1.648 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.907 1.454 9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.924 0.422 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.714 2.691 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.414 1.528 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.077 3.276 5.644 1.00 0.00 H new ATOM 557 N GLY A 35 -1.434 -0.216 8.312 1.00 0.00 N ATOM 558 CA GLY A 35 -1.736 -1.604 8.014 1.00 0.00 C ATOM 559 C GLY A 35 -3.154 -1.779 7.500 1.00 0.00 C ATOM 560 O GLY A 35 -3.429 -2.693 6.723 1.00 0.00 O ATOM 0 H GLY A 35 -1.153 -0.036 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.032 -1.977 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.599 -2.206 8.912 1.00 0.00 H new ATOM 564 N ASP A 36 -4.050 -0.882 7.921 1.00 0.00 N ATOM 565 CA ASP A 36 -5.443 -0.927 7.485 1.00 0.00 C ATOM 566 C ASP A 36 -5.550 -0.538 6.014 1.00 0.00 C ATOM 567 O ASP A 36 -6.273 -1.173 5.246 1.00 0.00 O ATOM 568 CB ASP A 36 -6.310 0.006 8.340 1.00 0.00 C ATOM 569 CG ASP A 36 -6.998 -0.720 9.480 1.00 0.00 C ATOM 570 OD1 ASP A 36 -6.294 -1.154 10.417 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.240 -0.855 9.437 1.00 0.00 O ATOM 0 H ASP A 36 -3.834 -0.119 8.562 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.806 -1.947 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.688 0.804 8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.062 0.478 7.708 1.00 0.00 H new ATOM 576 N LEU A 37 -4.808 0.504 5.629 1.00 0.00 N ATOM 577 CA LEU A 37 -4.798 0.976 4.247 1.00 0.00 C ATOM 578 C LEU A 37 -4.486 -0.176 3.298 1.00 0.00 C ATOM 579 O LEU A 37 -5.229 -0.425 2.347 1.00 0.00 O ATOM 580 CB LEU A 37 -3.766 2.098 4.071 1.00 0.00 C ATOM 581 CG LEU A 37 -3.953 2.981 2.831 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.637 2.205 1.561 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.369 3.540 2.782 1.00 0.00 C ATOM 0 H LEU A 37 -4.206 1.036 6.258 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.786 1.371 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.793 2.734 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.773 1.651 4.030 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.256 3.816 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.777 2.852 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.604 1.860 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.304 1.346 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.483 4.164 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.084 2.718 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.555 4.139 3.674 1.00 0.00 H new ATOM 595 N ILE A 38 -3.389 -0.886 3.572 1.00 0.00 N ATOM 596 CA ILE A 38 -2.994 -2.025 2.746 1.00 0.00 C ATOM 597 C ILE A 38 -4.114 -3.066 2.709 1.00 0.00 C ATOM 598 O ILE A 38 -4.392 -3.654 1.664 1.00 0.00 O ATOM 599 CB ILE A 38 -1.690 -2.689 3.252 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.578 -1.644 3.406 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.253 -3.796 2.298 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.738 -2.217 3.894 1.00 0.00 C ATOM 0 H ILE A 38 -2.764 -0.693 4.354 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.808 -1.643 1.742 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.884 -3.130 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.416 -1.155 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.909 -0.875 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.335 -4.253 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.035 -4.552 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.076 -3.375 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.474 -1.418 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.593 -2.681 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.094 -2.965 3.186 1.00 0.00 H new ATOM 614 N ASP A 39 -4.764 -3.274 3.860 1.00 0.00 N ATOM 615 CA ASP A 39 -5.867 -4.229 3.965 1.00 0.00 C ATOM 616 C ASP A 39 -6.991 -3.863 3.003 1.00 0.00 C ATOM 617 O ASP A 39 -7.540 -4.728 2.323 1.00 0.00 O ATOM 618 CB ASP A 39 -6.411 -4.273 5.395 1.00 0.00 C ATOM 619 CG ASP A 39 -7.062 -5.603 5.727 1.00 0.00 C ATOM 620 OD1 ASP A 39 -8.055 -5.964 5.058 1.00 0.00 O ATOM 621 OD2 ASP A 39 -6.581 -6.284 6.656 1.00 0.00 O ATOM 0 H ASP A 39 -4.543 -2.792 4.731 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.481 -5.214 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.598 -4.085 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.138 -3.472 5.529 1.00 0.00 H new ATOM 626 N HIS A 40 -7.326 -2.575 2.953 1.00 0.00 N ATOM 627 CA HIS A 40 -8.385 -2.088 2.072 1.00 0.00 C ATOM 628 C HIS A 40 -8.079 -2.426 0.612 1.00 0.00 C ATOM 629 O HIS A 40 -8.978 -2.771 -0.155 1.00 0.00 O ATOM 630 CB HIS A 40 -8.565 -0.577 2.234 1.00 0.00 C ATOM 631 CG HIS A 40 -9.998 -0.156 2.356 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.892 -0.763 3.214 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.692 0.823 1.726 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.071 -0.178 3.106 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.976 0.790 2.212 1.00 0.00 N ATOM 0 H HIS A 40 -6.879 -1.849 3.513 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.313 -2.586 2.354 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.021 -0.247 3.119 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.118 -0.072 1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.307 1.503 0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.962 -0.445 3.655 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.733 1.412 1.929 1.00 0.00 H new ATOM 644 N ILE A 41 -6.802 -2.328 0.241 1.00 0.00 N ATOM 645 CA ILE A 41 -6.369 -2.628 -1.121 1.00 0.00 C ATOM 646 C ILE A 41 -6.496 -4.121 -1.430 1.00 0.00 C ATOM 647 O ILE A 41 -6.681 -4.507 -2.582 1.00 0.00 O ATOM 648 CB ILE A 41 -4.905 -2.202 -1.361 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.675 -0.758 -0.909 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.539 -2.363 -2.828 1.00 0.00 C ATOM 651 CD1 ILE A 41 -5.512 0.253 -1.659 1.00 0.00 C ATOM 0 H ILE A 41 -6.049 -2.042 0.867 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.023 -2.060 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.261 -2.851 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.895 -0.680 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.621 -0.510 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.504 -2.058 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.657 -3.407 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.194 -1.740 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.296 1.254 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.276 0.204 -2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.569 0.031 -1.512 1.00 0.00 H new ATOM 663 N VAL A 42 -6.373 -4.955 -0.400 1.00 0.00 N ATOM 664 CA VAL A 42 -6.452 -6.404 -0.572 1.00 0.00 C ATOM 665 C VAL A 42 -7.856 -6.959 -0.288 1.00 0.00 C ATOM 666 O VAL A 42 -8.106 -8.146 -0.502 1.00 0.00 O ATOM 667 CB VAL A 42 -5.433 -7.120 0.344 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.408 -8.616 0.062 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.042 -6.517 0.176 1.00 0.00 C ATOM 0 H VAL A 42 -6.218 -4.653 0.562 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.217 -6.599 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.746 -6.975 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.684 -9.098 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.397 -9.037 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.125 -8.786 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.340 -7.035 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.721 -6.625 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.070 -5.459 0.439 1.00 0.00 H new ATOM 679 N SER A 43 -8.771 -6.115 0.197 1.00 0.00 N ATOM 680 CA SER A 43 -10.127 -6.566 0.503 1.00 0.00 C ATOM 681 C SER A 43 -11.108 -6.211 -0.616 1.00 0.00 C ATOM 682 O SER A 43 -11.485 -7.074 -1.409 1.00 0.00 O ATOM 683 CB SER A 43 -10.604 -5.981 1.836 1.00 0.00 C ATOM 684 OG SER A 43 -10.258 -4.613 1.950 1.00 0.00 O ATOM 0 H SER A 43 -8.599 -5.127 0.384 1.00 0.00 H new ATOM 0 HA SER A 43 -10.098 -7.652 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.685 -6.093 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.161 -6.540 2.660 1.00 0.00 H new ATOM 0 HG SER A 43 -9.300 -4.533 2.138 1.00 0.00 H new ATOM 690 N THR A 44 -11.527 -4.946 -0.676 1.00 0.00 N ATOM 691 CA THR A 44 -12.473 -4.503 -1.702 1.00 0.00 C ATOM 692 C THR A 44 -11.757 -4.142 -3.004 1.00 0.00 C ATOM 693 O THR A 44 -12.210 -4.509 -4.088 1.00 0.00 O ATOM 694 CB THR A 44 -13.295 -3.308 -1.207 1.00 0.00 C ATOM 695 OG1 THR A 44 -12.453 -2.219 -0.870 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.145 -3.623 0.007 1.00 0.00 C ATOM 0 H THR A 44 -11.229 -4.214 -0.031 1.00 0.00 H new ATOM 0 HA THR A 44 -13.147 -5.335 -1.903 1.00 0.00 H new ATOM 0 HB THR A 44 -13.955 -3.054 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.999 -1.467 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.700 -2.733 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.845 -4.423 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.503 -3.940 0.828 1.00 0.00 H new ATOM 704 N MET A 45 -10.642 -3.418 -2.891 1.00 0.00 N ATOM 705 CA MET A 45 -9.870 -3.006 -4.063 1.00 0.00 C ATOM 706 C MET A 45 -9.456 -4.216 -4.908 1.00 0.00 C ATOM 707 O MET A 45 -9.702 -4.247 -6.115 1.00 0.00 O ATOM 708 CB MET A 45 -8.634 -2.207 -3.632 1.00 0.00 C ATOM 709 CG MET A 45 -8.451 -0.901 -4.392 1.00 0.00 C ATOM 710 SD MET A 45 -7.973 -1.156 -6.112 1.00 0.00 S ATOM 711 CE MET A 45 -7.695 0.532 -6.643 1.00 0.00 C ATOM 0 H MET A 45 -10.254 -3.106 -2.001 1.00 0.00 H new ATOM 0 HA MET A 45 -10.505 -2.369 -4.678 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.707 -1.989 -2.566 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.747 -2.825 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.381 -0.333 -4.358 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.691 -0.299 -3.894 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.392 0.539 -7.690 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.614 1.106 -6.528 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.909 0.980 -6.035 1.00 0.00 H new ATOM 721 N ILE A 46 -8.832 -5.211 -4.270 1.00 0.00 N ATOM 722 CA ILE A 46 -8.394 -6.418 -4.970 1.00 0.00 C ATOM 723 C ILE A 46 -9.013 -7.668 -4.349 1.00 0.00 C ATOM 724 O ILE A 46 -9.143 -7.762 -3.128 1.00 0.00 O ATOM 725 CB ILE A 46 -6.858 -6.562 -4.943 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.182 -5.248 -5.335 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.413 -7.684 -5.867 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.729 -5.174 -4.922 1.00 0.00 C ATOM 0 H ILE A 46 -8.620 -5.203 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.727 -6.319 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.557 -6.810 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.252 -5.120 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.724 -4.419 -4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.327 -7.772 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.862 -8.622 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.730 -7.463 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.311 -4.216 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.653 -5.271 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.174 -5.982 -5.398 1.00 0.00 H new ATOM 740 N ASN A 47 -9.387 -8.629 -5.195 1.00 0.00 N ATOM 741 CA ASN A 47 -9.988 -9.874 -4.721 1.00 0.00 C ATOM 742 C ASN A 47 -9.812 -10.997 -5.746 1.00 0.00 C ATOM 743 O ASN A 47 -10.764 -11.382 -6.429 1.00 0.00 O ATOM 744 CB ASN A 47 -11.475 -9.658 -4.416 1.00 0.00 C ATOM 745 CG ASN A 47 -11.945 -10.469 -3.223 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.133 -9.936 -2.131 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.136 -11.768 -3.426 1.00 0.00 N ATOM 0 H ASN A 47 -9.284 -8.569 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.477 -10.172 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.654 -8.600 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.066 -9.929 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.450 -12.363 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.968 -12.170 -4.348 1.00 0.00 H new ATOM 754 N ASN A 48 -8.588 -11.521 -5.852 1.00 0.00 N ATOM 755 CA ASN A 48 -8.294 -12.598 -6.796 1.00 0.00 C ATOM 756 C ASN A 48 -6.944 -13.254 -6.494 1.00 0.00 C ATOM 757 O ASN A 48 -5.967 -12.568 -6.184 1.00 0.00 O ATOM 758 CB ASN A 48 -8.298 -12.060 -8.229 1.00 0.00 C ATOM 759 CG ASN A 48 -9.018 -12.986 -9.191 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.246 -12.985 -9.267 1.00 0.00 O ATOM 761 ND2 ASN A 48 -8.256 -13.785 -9.930 1.00 0.00 N ATOM 0 H ASN A 48 -7.788 -11.217 -5.297 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.072 -13.354 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.776 -11.080 -8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.271 -11.919 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.686 -14.430 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.241 -13.753 -9.835 1.00 0.00 H new ATOM 768 N PRO A 49 -6.865 -14.598 -6.593 1.00 0.00 N ATOM 769 CA PRO A 49 -5.624 -15.337 -6.340 1.00 0.00 C ATOM 770 C PRO A 49 -4.629 -15.190 -7.491 1.00 0.00 C ATOM 771 O PRO A 49 -4.379 -16.137 -8.240 1.00 0.00 O ATOM 772 CB PRO A 49 -6.098 -16.785 -6.213 1.00 0.00 C ATOM 773 CG PRO A 49 -7.321 -16.854 -7.059 1.00 0.00 C ATOM 774 CD PRO A 49 -7.975 -15.499 -6.968 1.00 0.00 C ATOM 0 HA PRO A 49 -5.095 -14.974 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.336 -17.484 -6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.318 -17.041 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.067 -17.094 -8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.994 -17.635 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.424 -15.207 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.770 -15.487 -6.222 1.00 0.00 H new ATOM 782 N ASN A 50 -4.070 -13.991 -7.623 1.00 0.00 N ATOM 783 CA ASN A 50 -3.102 -13.697 -8.679 1.00 0.00 C ATOM 784 C ASN A 50 -2.478 -12.319 -8.474 1.00 0.00 C ATOM 785 O ASN A 50 -1.263 -12.158 -8.588 1.00 0.00 O ATOM 786 CB ASN A 50 -3.769 -13.765 -10.057 1.00 0.00 C ATOM 787 CG ASN A 50 -2.965 -14.592 -11.045 1.00 0.00 C ATOM 788 OD1 ASN A 50 -2.601 -15.733 -10.762 1.00 0.00 O ATOM 789 ND2 ASN A 50 -2.681 -14.020 -12.211 1.00 0.00 N ATOM 0 H ASN A 50 -4.271 -13.202 -7.009 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.314 -14.449 -8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.766 -14.193 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.894 -12.755 -10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.142 -14.530 -12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.002 -13.072 -12.405 1.00 0.00 H new ATOM 796 N ASP A 51 -3.321 -11.332 -8.163 1.00 0.00 N ATOM 797 CA ASP A 51 -2.860 -9.962 -7.930 1.00 0.00 C ATOM 798 C ASP A 51 -2.536 -9.741 -6.455 1.00 0.00 C ATOM 799 O ASP A 51 -1.535 -9.107 -6.119 1.00 0.00 O ATOM 800 CB ASP A 51 -3.904 -8.929 -8.394 1.00 0.00 C ATOM 801 CG ASP A 51 -5.344 -9.415 -8.304 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.686 -10.108 -7.326 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.134 -9.091 -9.213 1.00 0.00 O ATOM 0 H ASP A 51 -4.329 -11.457 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.953 -9.822 -8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.798 -8.027 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.690 -8.651 -9.426 1.00 0.00 H new ATOM 808 N VAL A 52 -3.387 -10.264 -5.576 1.00 0.00 N ATOM 809 CA VAL A 52 -3.183 -10.119 -4.141 1.00 0.00 C ATOM 810 C VAL A 52 -2.266 -11.218 -3.601 1.00 0.00 C ATOM 811 O VAL A 52 -1.472 -10.979 -2.691 1.00 0.00 O ATOM 812 CB VAL A 52 -4.533 -10.124 -3.389 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.408 -10.762 -2.015 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.072 -8.708 -3.274 1.00 0.00 C ATOM 0 H VAL A 52 -4.222 -10.790 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.698 -9.158 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.235 -10.726 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.378 -10.747 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.071 -11.793 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.686 -10.204 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.024 -8.723 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.360 -8.091 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.220 -8.293 -4.271 1.00 0.00 H new ATOM 824 N SER A 53 -2.378 -12.422 -4.168 1.00 0.00 N ATOM 825 CA SER A 53 -1.557 -13.555 -3.746 1.00 0.00 C ATOM 826 C SER A 53 -0.063 -13.223 -3.828 1.00 0.00 C ATOM 827 O SER A 53 0.717 -13.628 -2.966 1.00 0.00 O ATOM 828 CB SER A 53 -1.876 -14.781 -4.606 1.00 0.00 C ATOM 829 OG SER A 53 -1.266 -14.694 -5.883 1.00 0.00 O ATOM 0 H SER A 53 -3.031 -12.635 -4.922 1.00 0.00 H new ATOM 0 HA SER A 53 -1.793 -13.775 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.532 -15.682 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.956 -14.873 -4.723 1.00 0.00 H new ATOM 0 HG SER A 53 -1.488 -15.492 -6.406 1.00 0.00 H new ATOM 835 N ILE A 54 0.326 -12.484 -4.870 1.00 0.00 N ATOM 836 CA ILE A 54 1.718 -12.098 -5.064 1.00 0.00 C ATOM 837 C ILE A 54 2.130 -10.974 -4.108 1.00 0.00 C ATOM 838 O ILE A 54 3.290 -10.888 -3.707 1.00 0.00 O ATOM 839 CB ILE A 54 1.980 -11.646 -6.515 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.962 -10.584 -6.948 1.00 0.00 C ATOM 841 CG2 ILE A 54 1.949 -12.840 -7.461 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.379 -9.808 -8.177 1.00 0.00 C ATOM 0 H ILE A 54 -0.309 -12.142 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 54 2.318 -12.983 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 54 2.973 -11.199 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.005 -11.068 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.805 -9.887 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.136 -12.502 -8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.718 -13.555 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.971 -13.318 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.610 -9.076 -8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.320 -9.294 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.508 -10.494 -9.014 1.00 0.00 H new ATOM 854 N PHE A 55 1.174 -10.115 -3.751 1.00 0.00 N ATOM 855 CA PHE A 55 1.435 -8.997 -2.847 1.00 0.00 C ATOM 856 C PHE A 55 1.461 -9.464 -1.389 1.00 0.00 C ATOM 857 O PHE A 55 2.457 -9.276 -0.687 1.00 0.00 O ATOM 858 CB PHE A 55 0.371 -7.910 -3.036 1.00 0.00 C ATOM 859 CG PHE A 55 0.776 -6.559 -2.511 1.00 0.00 C ATOM 860 CD1 PHE A 55 1.877 -5.899 -3.032 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.051 -5.950 -1.499 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.248 -4.657 -2.553 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.417 -4.708 -1.017 1.00 0.00 C ATOM 864 CZ PHE A 55 1.517 -4.061 -1.544 1.00 0.00 C ATOM 0 H PHE A 55 0.209 -10.174 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 55 2.415 -8.584 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.141 -7.822 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.546 -8.223 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.452 -6.360 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.810 -6.452 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.109 -4.153 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.157 -4.244 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.805 -3.091 -1.168 1.00 0.00 H new ATOM 874 N ILE A 56 0.360 -10.075 -0.944 1.00 0.00 N ATOM 875 CA ILE A 56 0.250 -10.574 0.427 1.00 0.00 C ATOM 876 C ILE A 56 0.350 -12.099 0.465 1.00 0.00 C ATOM 877 O ILE A 56 -0.262 -12.793 -0.351 1.00 0.00 O ATOM 878 CB ILE A 56 -1.079 -10.140 1.089 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.289 -8.628 0.944 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.102 -10.546 2.559 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.246 -7.792 1.659 1.00 0.00 C ATOM 0 H ILE A 56 -0.469 -10.236 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 56 1.079 -10.140 0.986 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.897 -10.648 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.284 -8.370 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.275 -8.369 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.044 -10.233 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.004 -11.629 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.274 -10.067 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.463 -6.734 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.265 -8.019 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.741 -8.020 1.257 1.00 0.00 H new ATOM 893 N GLU A 57 1.128 -12.611 1.418 1.00 0.00 N ATOM 894 CA GLU A 57 1.320 -14.050 1.575 1.00 0.00 C ATOM 895 C GLU A 57 0.969 -14.498 2.996 1.00 0.00 C ATOM 896 O GLU A 57 1.790 -14.391 3.910 1.00 0.00 O ATOM 897 CB GLU A 57 2.769 -14.424 1.248 1.00 0.00 C ATOM 898 CG GLU A 57 2.901 -15.702 0.432 1.00 0.00 C ATOM 899 CD GLU A 57 4.311 -16.270 0.428 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.277 -15.484 0.544 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.449 -17.505 0.301 1.00 0.00 O ATOM 0 H GLU A 57 1.638 -12.045 2.096 1.00 0.00 H new ATOM 0 HA GLU A 57 0.652 -14.562 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.232 -13.604 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.324 -14.539 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.216 -16.451 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.594 -15.503 -0.595 1.00 0.00 H new ATOM 908 N ASP A 58 -0.259 -14.999 3.170 1.00 0.00 N ATOM 909 CA ASP A 58 -0.736 -15.468 4.475 1.00 0.00 C ATOM 910 C ASP A 58 -0.590 -14.380 5.539 1.00 0.00 C ATOM 911 O ASP A 58 0.194 -14.514 6.481 1.00 0.00 O ATOM 912 CB ASP A 58 0.013 -16.736 4.900 1.00 0.00 C ATOM 913 CG ASP A 58 -0.644 -17.996 4.371 1.00 0.00 C ATOM 914 OD1 ASP A 58 -0.560 -18.240 3.150 1.00 0.00 O ATOM 915 OD2 ASP A 58 -1.245 -18.736 5.179 1.00 0.00 O ATOM 0 H ASP A 58 -0.943 -15.090 2.419 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.795 -15.706 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.041 -16.686 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.058 -16.781 5.988 1.00 0.00 H new ATOM 920 N ASP A 59 -1.357 -13.300 5.376 1.00 0.00 N ATOM 921 CA ASP A 59 -1.330 -12.173 6.312 1.00 0.00 C ATOM 922 C ASP A 59 0.091 -11.631 6.510 1.00 0.00 C ATOM 923 O ASP A 59 0.415 -11.089 7.568 1.00 0.00 O ATOM 924 CB ASP A 59 -1.926 -12.601 7.658 1.00 0.00 C ATOM 925 CG ASP A 59 -3.048 -11.692 8.120 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.884 -11.298 7.278 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.095 -11.375 9.327 1.00 0.00 O ATOM 0 H ASP A 59 -2.008 -13.182 4.600 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.931 -11.369 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.302 -13.621 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.139 -12.611 8.412 1.00 0.00 H new ATOM 932 N SER A 60 0.933 -11.777 5.486 1.00 0.00 N ATOM 933 CA SER A 60 2.312 -11.304 5.551 1.00 0.00 C ATOM 934 C SER A 60 2.780 -10.841 4.174 1.00 0.00 C ATOM 935 O SER A 60 2.748 -11.610 3.212 1.00 0.00 O ATOM 936 CB SER A 60 3.235 -12.413 6.072 1.00 0.00 C ATOM 937 OG SER A 60 2.700 -13.027 7.235 1.00 0.00 O ATOM 0 H SER A 60 0.682 -12.220 4.602 1.00 0.00 H new ATOM 0 HA SER A 60 2.354 -10.460 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.379 -13.164 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.216 -11.996 6.297 1.00 0.00 H new ATOM 0 HG SER A 60 1.918 -13.565 6.991 1.00 0.00 H new ATOM 943 N ILE A 61 3.209 -9.582 4.082 1.00 0.00 N ATOM 944 CA ILE A 61 3.675 -9.024 2.812 1.00 0.00 C ATOM 945 C ILE A 61 4.885 -9.791 2.284 1.00 0.00 C ATOM 946 O ILE A 61 5.650 -10.370 3.056 1.00 0.00 O ATOM 947 CB ILE A 61 4.042 -7.528 2.938 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.896 -6.746 3.581 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.371 -6.943 1.570 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.264 -6.104 4.902 1.00 0.00 C ATOM 0 H ILE A 61 3.244 -8.932 4.867 1.00 0.00 H new ATOM 0 HA ILE A 61 2.847 -9.122 2.110 1.00 0.00 H new ATOM 0 HB ILE A 61 4.922 -7.445 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.564 -5.971 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.052 -7.418 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.627 -5.889 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.216 -7.480 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.506 -7.041 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.402 -5.567 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.567 -6.876 5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.088 -5.407 4.751 1.00 0.00 H new ATOM 962 N ARG A 62 5.050 -9.788 0.963 1.00 0.00 N ATOM 963 CA ARG A 62 6.168 -10.482 0.329 1.00 0.00 C ATOM 964 C ARG A 62 7.455 -9.666 0.453 1.00 0.00 C ATOM 965 O ARG A 62 7.547 -8.559 -0.082 1.00 0.00 O ATOM 966 CB ARG A 62 5.865 -10.757 -1.146 1.00 0.00 C ATOM 967 CG ARG A 62 6.353 -12.117 -1.623 1.00 0.00 C ATOM 968 CD ARG A 62 5.349 -12.779 -2.553 1.00 0.00 C ATOM 969 NE ARG A 62 5.333 -14.235 -2.405 1.00 0.00 N ATOM 970 CZ ARG A 62 4.814 -15.071 -3.309 1.00 0.00 C ATOM 971 NH1 ARG A 62 4.280 -14.603 -4.434 1.00 0.00 N ATOM 972 NH2 ARG A 62 4.832 -16.381 -3.088 1.00 0.00 N ATOM 0 H ARG A 62 4.425 -9.313 0.312 1.00 0.00 H new ATOM 0 HA ARG A 62 6.307 -11.433 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.789 -10.689 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.327 -9.980 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.306 -12.001 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.533 -12.762 -0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.353 -12.384 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.589 -12.523 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 62 5.743 -14.636 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.265 -13.599 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.886 -15.248 -5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.242 -16.748 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.436 -17.020 -3.777 1.00 0.00 H new ATOM 986 N PRO A 63 8.469 -10.205 1.164 1.00 0.00 N ATOM 987 CA PRO A 63 9.756 -9.523 1.358 1.00 0.00 C ATOM 988 C PRO A 63 10.381 -9.074 0.038 1.00 0.00 C ATOM 989 O PRO A 63 10.666 -9.897 -0.835 1.00 0.00 O ATOM 990 CB PRO A 63 10.628 -10.590 2.025 1.00 0.00 C ATOM 991 CG PRO A 63 9.662 -11.490 2.712 1.00 0.00 C ATOM 992 CD PRO A 63 8.438 -11.520 1.840 1.00 0.00 C ATOM 0 HA PRO A 63 9.648 -8.612 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.222 -11.133 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.327 -10.145 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.079 -12.490 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.423 -11.119 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.474 -12.341 1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.529 -11.649 2.427 1.00 0.00 H new ATOM 1000 N GLY A 64 10.582 -7.764 -0.102 1.00 0.00 N ATOM 1001 CA GLY A 64 11.163 -7.221 -1.320 1.00 0.00 C ATOM 1002 C GLY A 64 10.425 -5.990 -1.827 1.00 0.00 C ATOM 1003 O GLY A 64 11.017 -5.140 -2.496 1.00 0.00 O ATOM 0 H GLY A 64 10.352 -7.068 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.206 -6.964 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.155 -7.988 -2.094 1.00 0.00 H new ATOM 1007 N ILE A 65 9.132 -5.894 -1.508 1.00 0.00 N ATOM 1008 CA ILE A 65 8.312 -4.761 -1.934 1.00 0.00 C ATOM 1009 C ILE A 65 8.676 -3.501 -1.153 1.00 0.00 C ATOM 1010 O ILE A 65 8.667 -3.495 0.079 1.00 0.00 O ATOM 1011 CB ILE A 65 6.805 -5.052 -1.758 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.432 -6.378 -2.430 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.970 -3.911 -2.325 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.171 -7.002 -1.874 1.00 0.00 C ATOM 0 H ILE A 65 8.631 -6.589 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 65 8.515 -4.602 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 65 6.593 -5.135 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.304 -6.211 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.257 -7.080 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.911 -4.134 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.215 -2.986 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.186 -3.795 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.967 -7.937 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.302 -7.201 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.334 -6.318 -2.015 1.00 0.00 H new ATOM 1026 N ILE A 66 9.002 -2.439 -1.886 1.00 0.00 N ATOM 1027 CA ILE A 66 9.379 -1.165 -1.284 1.00 0.00 C ATOM 1028 C ILE A 66 8.147 -0.306 -0.980 1.00 0.00 C ATOM 1029 O ILE A 66 7.140 -0.373 -1.689 1.00 0.00 O ATOM 1030 CB ILE A 66 10.338 -0.387 -2.213 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.628 -1.184 -2.440 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.659 0.988 -1.637 1.00 0.00 C ATOM 1033 CD1 ILE A 66 11.584 -2.083 -3.658 1.00 0.00 C ATOM 0 H ILE A 66 9.012 -2.438 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 66 9.888 -1.384 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 66 9.840 -0.247 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.461 -0.488 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.828 -1.792 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.336 1.515 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.738 1.560 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.133 0.873 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.531 -2.614 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.773 -2.804 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.416 -1.479 -4.550 1.00 0.00 H new ATOM 1045 N THR A 67 8.242 0.502 0.081 1.00 0.00 N ATOM 1046 CA THR A 67 7.149 1.381 0.495 1.00 0.00 C ATOM 1047 C THR A 67 7.689 2.646 1.166 1.00 0.00 C ATOM 1048 O THR A 67 8.057 2.626 2.342 1.00 0.00 O ATOM 1049 CB THR A 67 6.205 0.652 1.462 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.922 -0.660 1.009 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.885 1.365 1.658 1.00 0.00 C ATOM 0 H THR A 67 9.072 0.564 0.671 1.00 0.00 H new ATOM 0 HA THR A 67 6.596 1.665 -0.400 1.00 0.00 H new ATOM 0 HB THR A 67 6.736 0.629 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.120 -0.646 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.265 0.798 2.352 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.066 2.361 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.372 1.451 0.700 1.00 0.00 H new ATOM 1059 N LEU A 68 7.729 3.746 0.416 1.00 0.00 N ATOM 1060 CA LEU A 68 8.217 5.014 0.948 1.00 0.00 C ATOM 1061 C LEU A 68 7.069 5.834 1.528 1.00 0.00 C ATOM 1062 O LEU A 68 6.171 6.264 0.803 1.00 0.00 O ATOM 1063 CB LEU A 68 8.935 5.822 -0.136 1.00 0.00 C ATOM 1064 CG LEU A 68 10.260 5.231 -0.624 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.935 6.187 -1.597 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.178 4.925 0.553 1.00 0.00 C ATOM 0 H LEU A 68 7.430 3.784 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 68 8.927 4.788 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.266 5.927 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.123 6.825 0.247 1.00 0.00 H new ATOM 0 HG LEU A 68 10.053 4.296 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.876 5.755 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.282 6.355 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.130 7.136 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.114 4.506 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.383 5.844 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.694 4.206 1.215 1.00 0.00 H new ATOM 1078 N ILE A 69 7.110 6.046 2.840 1.00 0.00 N ATOM 1079 CA ILE A 69 6.080 6.818 3.529 1.00 0.00 C ATOM 1080 C ILE A 69 6.587 8.220 3.864 1.00 0.00 C ATOM 1081 O ILE A 69 7.465 8.384 4.715 1.00 0.00 O ATOM 1082 CB ILE A 69 5.604 6.112 4.822 1.00 0.00 C ATOM 1083 CG1 ILE A 69 6.797 5.588 5.633 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.651 4.974 4.480 1.00 0.00 C ATOM 1085 CD1 ILE A 69 6.434 5.167 7.040 1.00 0.00 C ATOM 0 H ILE A 69 7.848 5.693 3.449 1.00 0.00 H new ATOM 0 HA ILE A 69 5.230 6.896 2.851 1.00 0.00 H new ATOM 0 HB ILE A 69 5.074 6.842 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.236 4.738 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.562 6.363 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.323 4.486 5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.785 5.371 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.162 4.250 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.326 4.808 7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.023 6.020 7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.692 4.370 7.001 1.00 0.00 H new ATOM 1097 N ASN A 70 6.036 9.225 3.178 1.00 0.00 N ATOM 1098 CA ASN A 70 6.432 10.622 3.384 1.00 0.00 C ATOM 1099 C ASN A 70 7.919 10.813 3.080 1.00 0.00 C ATOM 1100 O ASN A 70 8.643 11.452 3.847 1.00 0.00 O ATOM 1101 CB ASN A 70 6.128 11.062 4.822 1.00 0.00 C ATOM 1102 CG ASN A 70 4.707 11.567 4.991 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.183 12.281 4.135 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.073 11.195 6.096 1.00 0.00 N ATOM 0 H ASN A 70 5.311 9.097 2.472 1.00 0.00 H new ATOM 0 HA ASN A 70 5.854 11.242 2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.294 10.223 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.826 11.848 5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.114 11.501 6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.544 10.603 6.780 1.00 0.00 H new ATOM 1111 N ASP A 71 8.369 10.247 1.957 1.00 0.00 N ATOM 1112 CA ASP A 71 9.770 10.341 1.550 1.00 0.00 C ATOM 1113 C ASP A 71 10.686 9.669 2.583 1.00 0.00 C ATOM 1114 O ASP A 71 11.850 10.048 2.739 1.00 0.00 O ATOM 1115 CB ASP A 71 10.171 11.810 1.353 1.00 0.00 C ATOM 1116 CG ASP A 71 10.404 12.156 -0.105 1.00 0.00 C ATOM 1117 OD1 ASP A 71 9.414 12.242 -0.862 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.578 12.340 -0.492 1.00 0.00 O ATOM 0 H ASP A 71 7.780 9.718 1.313 1.00 0.00 H new ATOM 0 HA ASP A 71 9.886 9.817 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.389 12.454 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.078 12.015 1.922 1.00 0.00 H new ATOM 1123 N THR A 72 10.150 8.665 3.281 1.00 0.00 N ATOM 1124 CA THR A 72 10.903 7.932 4.294 1.00 0.00 C ATOM 1125 C THR A 72 10.686 6.429 4.130 1.00 0.00 C ATOM 1126 O THR A 72 9.794 6.003 3.396 1.00 0.00 O ATOM 1127 CB THR A 72 10.475 8.369 5.702 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.020 9.711 5.703 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.582 8.262 6.727 1.00 0.00 C ATOM 0 H THR A 72 9.190 8.342 3.160 1.00 0.00 H new ATOM 0 HA THR A 72 11.962 8.155 4.163 1.00 0.00 H new ATOM 0 HB THR A 72 9.675 7.683 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.130 9.755 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.210 8.586 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.917 7.227 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.417 8.895 6.428 1.00 0.00 H new ATOM 1137 N ASP A 73 11.502 5.631 4.814 1.00 0.00 N ATOM 1138 CA ASP A 73 11.392 4.174 4.739 1.00 0.00 C ATOM 1139 C ASP A 73 10.264 3.657 5.632 1.00 0.00 C ATOM 1140 O ASP A 73 10.018 4.194 6.713 1.00 0.00 O ATOM 1141 CB ASP A 73 12.719 3.519 5.138 1.00 0.00 C ATOM 1142 CG ASP A 73 13.636 3.294 3.951 1.00 0.00 C ATOM 1143 OD1 ASP A 73 14.021 4.287 3.298 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.966 2.123 3.672 1.00 0.00 O ATOM 0 H ASP A 73 12.246 5.967 5.426 1.00 0.00 H new ATOM 0 HA ASP A 73 11.158 3.909 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.225 4.148 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.518 2.564 5.624 1.00 0.00 H new ATOM 1149 N TRP A 74 9.580 2.607 5.171 1.00 0.00 N ATOM 1150 CA TRP A 74 8.476 2.008 5.926 1.00 0.00 C ATOM 1151 C TRP A 74 8.970 1.428 7.249 1.00 0.00 C ATOM 1152 O TRP A 74 8.411 1.714 8.310 1.00 0.00 O ATOM 1153 CB TRP A 74 7.800 0.910 5.100 1.00 0.00 C ATOM 1154 CG TRP A 74 6.376 0.650 5.489 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.409 1.582 5.739 1.00 0.00 C ATOM 1156 CD2 TRP A 74 5.759 -0.630 5.668 1.00 0.00 C ATOM 1157 NE1 TRP A 74 4.228 0.959 6.060 1.00 0.00 N ATOM 1158 CE2 TRP A 74 4.416 -0.399 6.021 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.210 -1.949 5.557 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 3.524 -1.438 6.273 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 5.322 -2.978 5.807 1.00 0.00 C ATOM 1162 CH2 TRP A 74 3.992 -2.718 6.155 1.00 0.00 C ATOM 0 H TRP A 74 9.771 2.153 4.278 1.00 0.00 H new ATOM 0 HA TRP A 74 7.751 2.793 6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.834 1.188 4.047 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.370 -0.013 5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.552 2.651 5.691 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.353 1.430 6.290 1.00 0.00 H new ATOM 0 HE3 TRP A 74 7.233 -2.160 5.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.499 -1.240 6.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 5.661 -4.001 5.732 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.321 -3.545 6.334 1.00 0.00 H new ATOM 1173 N GLU A 75 10.026 0.614 7.173 1.00 0.00 N ATOM 1174 CA GLU A 75 10.612 -0.011 8.361 1.00 0.00 C ATOM 1175 C GLU A 75 11.169 1.042 9.325 1.00 0.00 C ATOM 1176 O GLU A 75 11.280 0.791 10.526 1.00 0.00 O ATOM 1177 CB GLU A 75 11.721 -0.997 7.965 1.00 0.00 C ATOM 1178 CG GLU A 75 12.712 -0.445 6.944 1.00 0.00 C ATOM 1179 CD GLU A 75 14.131 -0.933 7.179 1.00 0.00 C ATOM 1180 OE1 GLU A 75 14.724 -0.564 8.215 1.00 0.00 O ATOM 1181 OE2 GLU A 75 14.649 -1.682 6.323 1.00 0.00 O ATOM 0 H GLU A 75 10.493 0.372 6.299 1.00 0.00 H new ATOM 0 HA GLU A 75 9.818 -0.557 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.266 -1.292 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.262 -1.899 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.394 -0.735 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.696 0.644 6.981 1.00 0.00 H new ATOM 1188 N LEU A 76 11.514 2.219 8.789 1.00 0.00 N ATOM 1189 CA LEU A 76 12.054 3.315 9.596 1.00 0.00 C ATOM 1190 C LEU A 76 11.142 3.621 10.787 1.00 0.00 C ATOM 1191 O LEU A 76 11.606 3.699 11.924 1.00 0.00 O ATOM 1192 CB LEU A 76 12.228 4.574 8.733 1.00 0.00 C ATOM 1193 CG LEU A 76 13.530 5.354 8.952 1.00 0.00 C ATOM 1194 CD1 LEU A 76 13.664 5.788 10.405 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.735 4.525 8.521 1.00 0.00 C ATOM 0 H LEU A 76 11.428 2.435 7.796 1.00 0.00 H new ATOM 0 HA LEU A 76 13.027 3.005 9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.172 4.284 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.389 5.243 8.924 1.00 0.00 H new ATOM 0 HG LEU A 76 13.496 6.251 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.595 6.339 10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.823 6.428 10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.670 4.908 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.648 5.098 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.773 3.606 9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.647 4.278 7.463 1.00 0.00 H new ATOM 1207 N GLU A 77 9.846 3.787 10.518 1.00 0.00 N ATOM 1208 CA GLU A 77 8.874 4.079 11.571 1.00 0.00 C ATOM 1209 C GLU A 77 8.549 2.819 12.380 1.00 0.00 C ATOM 1210 O GLU A 77 8.969 2.688 13.531 1.00 0.00 O ATOM 1211 CB GLU A 77 7.592 4.668 10.968 1.00 0.00 C ATOM 1212 CG GLU A 77 7.537 6.188 11.016 1.00 0.00 C ATOM 1213 CD GLU A 77 8.493 6.841 10.034 1.00 0.00 C ATOM 1214 OE1 GLU A 77 9.718 6.794 10.275 1.00 0.00 O ATOM 1215 OE2 GLU A 77 8.016 7.401 9.025 1.00 0.00 O ATOM 0 H GLU A 77 9.446 3.724 9.582 1.00 0.00 H new ATOM 0 HA GLU A 77 9.315 4.814 12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.506 4.342 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.731 4.265 11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.521 6.518 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.774 6.524 12.025 1.00 0.00 H new ATOM 1222 N GLY A 78 7.804 1.898 11.767 1.00 0.00 N ATOM 1223 CA GLY A 78 7.436 0.657 12.440 1.00 0.00 C ATOM 1224 C GLY A 78 6.462 -0.191 11.632 1.00 0.00 C ATOM 1225 O GLY A 78 5.585 -0.843 12.200 1.00 0.00 O ATOM 0 H GLY A 78 7.448 1.988 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.337 0.076 12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.990 0.892 13.406 1.00 0.00 H new ATOM 1229 N GLU A 79 6.630 -0.185 10.306 1.00 0.00 N ATOM 1230 CA GLU A 79 5.783 -0.951 9.393 1.00 0.00 C ATOM 1231 C GLU A 79 4.302 -0.593 9.555 1.00 0.00 C ATOM 1232 O GLU A 79 3.776 0.237 8.815 1.00 0.00 O ATOM 1233 CB GLU A 79 5.994 -2.454 9.602 1.00 0.00 C ATOM 1234 CG GLU A 79 7.213 -3.009 8.877 1.00 0.00 C ATOM 1235 CD GLU A 79 7.046 -4.463 8.474 1.00 0.00 C ATOM 1236 OE1 GLU A 79 6.572 -5.262 9.309 1.00 0.00 O ATOM 1237 OE2 GLU A 79 7.392 -4.804 7.323 1.00 0.00 O ATOM 0 H GLU A 79 7.359 0.353 9.837 1.00 0.00 H new ATOM 0 HA GLU A 79 6.076 -0.689 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.096 -2.652 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.106 -2.987 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.405 -2.410 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.088 -2.913 9.520 1.00 0.00 H new ATOM 1244 N LYS A 80 3.638 -1.219 10.526 1.00 0.00 N ATOM 1245 CA LYS A 80 2.218 -0.969 10.783 1.00 0.00 C ATOM 1246 C LYS A 80 2.011 -0.046 11.993 1.00 0.00 C ATOM 1247 O LYS A 80 0.872 0.223 12.385 1.00 0.00 O ATOM 1248 CB LYS A 80 1.483 -2.298 11.004 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.027 -2.153 11.149 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.750 -3.463 10.864 1.00 0.00 C ATOM 1251 CE LYS A 80 -2.206 -3.411 11.310 1.00 0.00 C ATOM 1252 NZ LYS A 80 -2.411 -4.033 12.651 1.00 0.00 N ATOM 0 H LYS A 80 4.062 -1.906 11.150 1.00 0.00 H new ATOM 0 HA LYS A 80 1.806 -0.465 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.695 -2.963 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.880 -2.777 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.265 -1.819 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.386 -1.383 10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.704 -3.680 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.241 -4.279 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.538 -2.373 11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.827 -3.924 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.416 -3.974 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.120 -5.031 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.840 -3.528 13.359 1.00 0.00 H new ATOM 1266 N ASP A 81 3.108 0.447 12.580 1.00 0.00 N ATOM 1267 CA ASP A 81 3.023 1.340 13.736 1.00 0.00 C ATOM 1268 C ASP A 81 2.990 2.813 13.307 1.00 0.00 C ATOM 1269 O ASP A 81 3.460 3.691 14.034 1.00 0.00 O ATOM 1270 CB ASP A 81 4.194 1.087 14.694 1.00 0.00 C ATOM 1271 CG ASP A 81 3.970 -0.127 15.575 1.00 0.00 C ATOM 1272 OD1 ASP A 81 2.948 -0.161 16.294 1.00 0.00 O ATOM 1273 OD2 ASP A 81 4.816 -1.045 15.547 1.00 0.00 O ATOM 0 H ASP A 81 4.059 0.243 12.274 1.00 0.00 H new ATOM 0 HA ASP A 81 2.089 1.124 14.255 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.108 0.950 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.342 1.966 15.322 1.00 0.00 H new ATOM 1278 N TYR A 82 2.416 3.078 12.130 1.00 0.00 N ATOM 1279 CA TYR A 82 2.302 4.438 11.609 1.00 0.00 C ATOM 1280 C TYR A 82 0.838 4.765 11.321 1.00 0.00 C ATOM 1281 O TYR A 82 0.249 4.230 10.380 1.00 0.00 O ATOM 1282 CB TYR A 82 3.146 4.593 10.335 1.00 0.00 C ATOM 1283 CG TYR A 82 2.923 5.900 9.595 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.667 7.033 9.901 1.00 0.00 C ATOM 1285 CD2 TYR A 82 1.973 5.993 8.585 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.468 8.222 9.223 1.00 0.00 C ATOM 1287 CE2 TYR A 82 1.767 7.177 7.904 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.518 8.289 8.225 1.00 0.00 C ATOM 1289 OH TYR A 82 2.318 9.470 7.546 1.00 0.00 O ATOM 0 H TYR A 82 2.022 2.363 11.519 1.00 0.00 H new ATOM 0 HA TYR A 82 2.677 5.136 12.358 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.200 4.514 10.599 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.923 3.765 9.662 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.413 6.984 10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.385 5.124 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.054 9.094 9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.022 7.232 7.124 1.00 0.00 H new ATOM 0 HH TYR A 82 1.615 9.346 6.875 1.00 0.00 H new ATOM 1299 N ILE A 83 0.257 5.643 12.139 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.141 6.038 11.972 1.00 0.00 C ATOM 1301 C ILE A 83 -1.336 6.801 10.663 1.00 0.00 C ATOM 1302 O ILE A 83 -0.521 7.654 10.307 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.633 6.913 13.149 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.346 6.230 14.492 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -3.122 7.206 13.011 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -1.961 4.851 14.627 1.00 0.00 C ATOM 0 H ILE A 83 0.732 6.093 12.922 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.730 5.121 11.951 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.089 7.857 13.121 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.267 6.150 14.624 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.719 6.863 15.297 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.451 7.823 13.848 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.303 7.736 12.076 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.679 6.269 13.010 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.712 4.436 15.604 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.044 4.924 14.529 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.569 4.200 13.845 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.419 6.486 9.949 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.722 7.139 8.678 1.00 0.00 C ATOM 1320 C LEU A 84 -2.968 8.638 8.874 1.00 0.00 C ATOM 1321 O LEU A 84 -3.004 9.129 10.004 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.943 6.482 8.020 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.675 5.138 7.326 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.931 4.632 6.626 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.527 5.263 6.332 1.00 0.00 C ATOM 0 H LEU A 84 -3.100 5.781 10.232 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.860 7.020 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.708 6.332 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.355 7.174 7.286 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.391 4.414 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.719 3.679 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.727 4.497 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.247 5.358 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.355 4.300 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.780 6.005 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.624 5.574 6.857 1.00 0.00 H new ATOM 1337 N GLU A 85 -3.136 9.360 7.765 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.372 10.798 7.807 1.00 0.00 C ATOM 1339 C GLU A 85 -3.826 11.307 6.443 1.00 0.00 C ATOM 1340 O GLU A 85 -3.011 11.491 5.535 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.102 11.539 8.240 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.365 12.722 9.159 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.281 13.779 9.067 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -1.301 14.568 8.097 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.410 13.816 9.961 1.00 0.00 O ATOM 0 H GLU A 85 -3.112 8.967 6.824 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.160 10.990 8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.438 10.838 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.577 11.890 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.326 13.169 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.439 12.370 10.188 1.00 0.00 H new ATOM 1352 N ASP A 86 -5.132 11.523 6.304 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.706 12.012 5.047 1.00 0.00 C ATOM 1354 C ASP A 86 -4.902 13.193 4.510 1.00 0.00 C ATOM 1355 O ASP A 86 -4.761 14.220 5.178 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.176 12.416 5.227 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.423 13.226 6.485 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.502 12.622 7.576 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.542 14.464 6.379 1.00 0.00 O ATOM 0 H ASP A 86 -5.815 11.368 7.045 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.661 11.197 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.496 12.996 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.792 11.517 5.254 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.359 13.024 3.306 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.549 14.061 2.690 1.00 0.00 C ATOM 1366 C GLY A 87 -2.072 13.693 2.659 1.00 0.00 C ATOM 1367 O GLY A 87 -1.211 14.566 2.530 1.00 0.00 O ATOM 0 H GLY A 87 -4.467 12.180 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.899 14.238 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.678 14.994 3.238 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.781 12.393 2.781 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.408 11.903 2.772 1.00 0.00 C ATOM 1373 C ASP A 88 -0.002 11.435 1.377 1.00 0.00 C ATOM 1374 O ASP A 88 -0.855 11.191 0.521 1.00 0.00 O ATOM 1375 CB ASP A 88 -0.255 10.748 3.765 1.00 0.00 C ATOM 1376 CG ASP A 88 1.101 10.745 4.448 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.303 11.568 5.366 1.00 0.00 O ATOM 1378 OD2 ASP A 88 1.960 9.922 4.062 1.00 0.00 O ATOM 0 H ASP A 88 -2.485 11.663 2.887 1.00 0.00 H new ATOM 0 HA ASP A 88 0.245 12.725 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.038 10.816 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.397 9.802 3.242 1.00 0.00 H new ATOM 1383 N ILE A 89 1.307 11.303 1.159 1.00 0.00 N ATOM 1384 CA ILE A 89 1.831 10.853 -0.128 1.00 0.00 C ATOM 1385 C ILE A 89 2.650 9.572 0.036 1.00 0.00 C ATOM 1386 O ILE A 89 3.841 9.619 0.353 1.00 0.00 O ATOM 1387 CB ILE A 89 2.708 11.933 -0.803 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.007 13.297 -0.783 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.041 11.527 -2.234 1.00 0.00 C ATOM 1390 CD1 ILE A 89 0.699 13.323 -1.548 1.00 0.00 C ATOM 0 H ILE A 89 2.023 11.502 1.858 1.00 0.00 H new ATOM 0 HA ILE A 89 0.970 10.658 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 89 3.637 12.020 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.818 13.583 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.678 14.046 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.659 12.297 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.584 10.582 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.119 11.411 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.262 14.320 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.883 13.069 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.009 12.599 -1.115 1.00 0.00 H new ATOM 1402 N ILE A 90 2.001 8.429 -0.180 1.00 0.00 N ATOM 1403 CA ILE A 90 2.664 7.131 -0.056 1.00 0.00 C ATOM 1404 C ILE A 90 3.261 6.683 -1.391 1.00 0.00 C ATOM 1405 O ILE A 90 2.739 7.018 -2.455 1.00 0.00 O ATOM 1406 CB ILE A 90 1.688 6.043 0.447 1.00 0.00 C ATOM 1407 CG1 ILE A 90 0.913 6.536 1.676 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.440 4.757 0.765 1.00 0.00 C ATOM 1409 CD1 ILE A 90 1.788 6.813 2.881 1.00 0.00 C ATOM 0 H ILE A 90 1.017 8.375 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 90 3.465 7.257 0.673 1.00 0.00 H new ATOM 0 HB ILE A 90 0.970 5.833 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.374 7.446 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.165 5.790 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.737 4.002 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.939 4.396 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.182 4.951 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.168 7.157 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.307 5.900 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.519 7.582 2.631 1.00 0.00 H new ATOM 1421 N SER A 91 4.354 5.921 -1.328 1.00 0.00 N ATOM 1422 CA SER A 91 5.013 5.427 -2.536 1.00 0.00 C ATOM 1423 C SER A 91 5.353 3.944 -2.415 1.00 0.00 C ATOM 1424 O SER A 91 5.827 3.490 -1.375 1.00 0.00 O ATOM 1425 CB SER A 91 6.296 6.217 -2.822 1.00 0.00 C ATOM 1426 OG SER A 91 6.257 7.505 -2.232 1.00 0.00 O ATOM 0 H SER A 91 4.800 5.634 -0.457 1.00 0.00 H new ATOM 0 HA SER A 91 4.314 5.563 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.156 5.667 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.432 6.313 -3.899 1.00 0.00 H new ATOM 0 HG SER A 91 7.090 7.982 -2.432 1.00 0.00 H new ATOM 1432 N PHE A 92 5.123 3.202 -3.494 1.00 0.00 N ATOM 1433 CA PHE A 92 5.423 1.774 -3.528 1.00 0.00 C ATOM 1434 C PHE A 92 6.341 1.459 -4.704 1.00 0.00 C ATOM 1435 O PHE A 92 6.207 2.045 -5.779 1.00 0.00 O ATOM 1436 CB PHE A 92 4.139 0.948 -3.641 1.00 0.00 C ATOM 1437 CG PHE A 92 3.564 0.534 -2.315 1.00 0.00 C ATOM 1438 CD1 PHE A 92 2.700 1.372 -1.629 1.00 0.00 C ATOM 1439 CD2 PHE A 92 3.887 -0.693 -1.755 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.167 0.995 -0.412 1.00 0.00 C ATOM 1441 CE2 PHE A 92 3.356 -1.075 -0.538 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.496 -0.229 0.136 1.00 0.00 C ATOM 0 H PHE A 92 4.728 3.568 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 92 5.924 1.511 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.393 1.527 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.343 0.055 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.440 2.332 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.561 -1.357 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.493 1.657 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.613 -2.034 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.082 -0.524 1.089 1.00 0.00 H new ATOM 1452 N THR A 93 7.272 0.535 -4.494 1.00 0.00 N ATOM 1453 CA THR A 93 8.215 0.143 -5.540 1.00 0.00 C ATOM 1454 C THR A 93 8.544 -1.344 -5.440 1.00 0.00 C ATOM 1455 O THR A 93 8.233 -1.993 -4.441 1.00 0.00 O ATOM 1456 CB THR A 93 9.501 0.980 -5.459 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.513 1.787 -4.293 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.697 1.897 -6.649 1.00 0.00 C ATOM 0 H THR A 93 7.396 0.042 -3.610 1.00 0.00 H new ATOM 0 HA THR A 93 7.744 0.330 -6.505 1.00 0.00 H new ATOM 0 HB THR A 93 10.311 0.251 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.342 2.308 -4.264 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.623 2.458 -6.527 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.750 1.303 -7.561 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.859 2.591 -6.716 1.00 0.00 H new ATOM 1466 N SER A 94 9.171 -1.878 -6.485 1.00 0.00 N ATOM 1467 CA SER A 94 9.539 -3.289 -6.518 1.00 0.00 C ATOM 1468 C SER A 94 10.855 -3.492 -7.263 1.00 0.00 C ATOM 1469 O SER A 94 10.965 -3.161 -8.444 1.00 0.00 O ATOM 1470 CB SER A 94 8.431 -4.109 -7.184 1.00 0.00 C ATOM 1471 OG SER A 94 8.711 -5.498 -7.123 1.00 0.00 O ATOM 0 H SER A 94 9.434 -1.354 -7.320 1.00 0.00 H new ATOM 0 HA SER A 94 9.669 -3.630 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.480 -3.906 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.324 -3.803 -8.225 1.00 0.00 H new ATOM 0 HG SER A 94 7.986 -5.997 -7.554 1.00 0.00 H new ATOM 1477 N THR A 95 11.847 -4.047 -6.567 1.00 0.00 N ATOM 1478 CA THR A 95 13.156 -4.305 -7.165 1.00 0.00 C ATOM 1479 C THR A 95 13.233 -5.742 -7.696 1.00 0.00 C ATOM 1480 O THR A 95 14.142 -6.502 -7.352 1.00 0.00 O ATOM 1481 CB THR A 95 14.276 -4.035 -6.146 1.00 0.00 C ATOM 1482 OG1 THR A 95 15.552 -4.226 -6.734 1.00 0.00 O ATOM 1483 CG2 THR A 95 14.201 -4.914 -4.915 1.00 0.00 C ATOM 0 H THR A 95 11.769 -4.326 -5.589 1.00 0.00 H new ATOM 0 HA THR A 95 13.292 -3.626 -8.007 1.00 0.00 H new ATOM 0 HB THR A 95 14.134 -2.999 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.628 -5.147 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.022 -4.668 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.252 -4.747 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.276 -5.961 -5.210 1.00 0.00 H new ATOM 1491 N LEU A 96 12.266 -6.105 -8.543 1.00 0.00 N ATOM 1492 CA LEU A 96 12.213 -7.441 -9.131 1.00 0.00 C ATOM 1493 C LEU A 96 11.691 -7.380 -10.568 1.00 0.00 C ATOM 1494 O LEU A 96 10.624 -6.820 -10.825 1.00 0.00 O ATOM 1495 CB LEU A 96 11.321 -8.356 -8.286 1.00 0.00 C ATOM 1496 CG LEU A 96 12.067 -9.387 -7.434 1.00 0.00 C ATOM 1497 CD1 LEU A 96 11.341 -9.615 -6.116 1.00 0.00 C ATOM 1498 CD2 LEU A 96 12.221 -10.697 -8.196 1.00 0.00 C ATOM 0 H LEU A 96 11.508 -5.488 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 96 13.224 -7.848 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.712 -7.736 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.636 -8.884 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 96 13.062 -8.999 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.885 -10.350 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.283 -8.676 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.334 -9.982 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.753 -11.418 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.236 -11.091 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.784 -10.521 -9.112 1.00 0.00 H new ATOM 1510 N HIS A 97 12.454 -7.953 -11.503 1.00 0.00 N ATOM 1511 CA HIS A 97 12.067 -7.954 -12.913 1.00 0.00 C ATOM 1512 C HIS A 97 12.460 -9.261 -13.604 1.00 0.00 C ATOM 1513 O HIS A 97 13.642 -9.520 -13.838 1.00 0.00 O ATOM 1514 CB HIS A 97 12.709 -6.767 -13.641 1.00 0.00 C ATOM 1515 CG HIS A 97 12.031 -6.398 -14.928 1.00 0.00 C ATOM 1516 ND1 HIS A 97 11.734 -7.311 -15.922 1.00 0.00 N ATOM 1517 CD2 HIS A 97 11.603 -5.197 -15.385 1.00 0.00 C ATOM 1518 CE1 HIS A 97 11.157 -6.684 -16.933 1.00 0.00 C ATOM 1519 NE2 HIS A 97 11.066 -5.402 -16.632 1.00 0.00 N ATOM 0 H HIS A 97 13.340 -8.420 -11.308 1.00 0.00 H new ATOM 0 HA HIS A 97 10.982 -7.862 -12.957 1.00 0.00 H new ATOM 0 HB2 HIS A 97 12.703 -5.902 -12.978 1.00 0.00 H new ATOM 0 HB3 HIS A 97 13.753 -7.003 -13.847 1.00 0.00 H new ATOM 0 HD2 HIS A 97 11.671 -4.253 -14.865 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.818 -7.143 -17.850 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.662 -4.680 -17.229 1.00 0.00 H new ATOM 1528 N GLY A 98 11.455 -10.068 -13.945 1.00 0.00 N ATOM 1529 CA GLY A 98 11.700 -11.328 -14.626 1.00 0.00 C ATOM 1530 C GLY A 98 12.298 -12.392 -13.723 1.00 0.00 C ATOM 1531 O GLY A 98 13.457 -12.290 -13.317 1.00 0.00 O ATOM 0 H GLY A 98 10.472 -9.869 -13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.762 -11.698 -15.040 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.372 -11.154 -15.466 1.00 0.00 H new ATOM 1535 N GLY A 99 11.506 -13.420 -13.414 1.00 0.00 N ATOM 1536 CA GLY A 99 11.978 -14.500 -12.562 1.00 0.00 C ATOM 1537 C GLY A 99 11.884 -14.162 -11.088 1.00 0.00 C ATOM 1538 O GLY A 99 12.866 -13.623 -10.538 1.00 0.00 O ATOM 0 H GLY A 99 10.545 -13.523 -13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.394 -15.398 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.013 -14.730 -12.813 1.00 0.00 H new TER 1542 GLY A 99