USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.0853 K(o=-0.32,f=0.25) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.0856 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -0.489 K(o=-0.32,f=-1.8) USER MOD Set 2.1: A 76 ASN : amide:sc= 0.763 K(o=1.6,f=0.24) USER MOD Set 2.2: A 82 THR OG1 : rot 105:sc= 0.814 USER MOD Set 3.1: A 5 SER OG : rot -99:sc= 1.29 USER MOD Set 3.2: A 6 HIS : no HD1:sc= 1.02 K(o=3.3,f=-3.7!) USER MOD Set 3.3: A 21 TYR OH : rot 150:sc= -0.0118 USER MOD Set 3.4: A 30 SER OG : rot -6:sc= 0.995 USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 84 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -4.79! C(o=-4.8!,f=-4.5!) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.11 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.34) USER MOD Single : A 16 CYS SG : rot -107:sc= -0.733 USER MOD Single : A 17 THR OG1 : rot 151:sc= 1.39 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.1) USER MOD Single : A 31 THR OG1 : rot -37:sc= 0.827 USER MOD Single : A 34 ASN : amide:sc= -0.787 K(o=-0.79,f=-0.2) USER MOD Single : A 36 ASN : amide:sc= 0.00148 X(o=0.0015,f=-0.063) USER MOD Single : A 37 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.89) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 48 THR OG1 : rot 88:sc= 0.62 USER MOD Single : A 51 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.062) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.326 K(o=-0.33,f=-6.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0.271 K(o=0.27,f=-5.4!) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 140:sc= -0.555 (180deg=-1.37) USER MOD Single : A 87 ASN : amide:sc= 0.708 K(o=0.71,f=-7.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 83:sc= -0.803 USER MOD Single : A 94 SER OG : rot 98:sc= -1.46! USER MOD Single : A 96 SER OG : rot -127:sc= 0.617 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00746 USER MOD Single : A 107 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.032) USER MOD Single : A 108 TYR OH : rot 63:sc= 1.3 USER MOD Single : A 109 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.881 0.762 14.863 1.00 0.00 N ATOM 2 CA GLY A 1 -22.480 -0.664 14.918 1.00 0.00 C ATOM 3 C GLY A 1 -21.311 -0.963 14.005 1.00 0.00 C ATOM 4 O GLY A 1 -20.273 -1.445 14.454 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.685 0.922 15.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.081 1.359 15.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.159 1.007 13.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.216 -0.926 15.942 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.328 -1.289 14.637 1.00 0.00 H new ATOM 10 N SER A 2 -21.472 -0.669 12.722 1.00 0.00 N ATOM 11 CA SER A 2 -20.413 -0.884 11.751 1.00 0.00 C ATOM 12 C SER A 2 -19.306 0.145 11.944 1.00 0.00 C ATOM 13 O SER A 2 -19.530 1.346 11.780 1.00 0.00 O ATOM 14 CB SER A 2 -20.978 -0.781 10.334 1.00 0.00 C ATOM 15 OG SER A 2 -22.169 -1.542 10.208 1.00 0.00 O ATOM 0 H SER A 2 -22.330 -0.280 12.330 1.00 0.00 H new ATOM 0 HA SER A 2 -19.997 -1.881 11.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.181 0.263 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.238 -1.135 9.616 1.00 0.00 H new ATOM 0 HG SER A 2 -22.514 -1.461 9.294 1.00 0.00 H new ATOM 21 N SER A 3 -18.126 -0.317 12.316 1.00 0.00 N ATOM 22 CA SER A 3 -17.006 0.577 12.536 1.00 0.00 C ATOM 23 C SER A 3 -16.050 0.530 11.347 1.00 0.00 C ATOM 24 O SER A 3 -15.158 -0.315 11.284 1.00 0.00 O ATOM 25 CB SER A 3 -16.280 0.206 13.834 1.00 0.00 C ATOM 26 OG SER A 3 -15.290 1.162 14.176 1.00 0.00 O ATOM 0 H SER A 3 -17.920 -1.304 12.472 1.00 0.00 H new ATOM 0 HA SER A 3 -17.381 1.596 12.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.004 0.126 14.645 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.816 -0.774 13.723 1.00 0.00 H new ATOM 0 HG SER A 3 -14.850 0.893 15.009 1.00 0.00 H new ATOM 32 N ILE A 4 -16.275 1.411 10.385 1.00 0.00 N ATOM 33 CA ILE A 4 -15.418 1.500 9.213 1.00 0.00 C ATOM 34 C ILE A 4 -14.638 2.809 9.242 1.00 0.00 C ATOM 35 O ILE A 4 -13.443 2.835 8.947 1.00 0.00 O ATOM 36 CB ILE A 4 -16.234 1.415 7.903 1.00 0.00 C ATOM 37 CG1 ILE A 4 -17.045 0.113 7.852 1.00 0.00 C ATOM 38 CG2 ILE A 4 -15.314 1.515 6.692 1.00 0.00 C ATOM 39 CD1 ILE A 4 -16.200 -1.144 7.906 1.00 0.00 C ATOM 0 H ILE A 4 -17.047 2.077 10.393 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.730 0.655 9.239 1.00 0.00 H new ATOM 0 HB ILE A 4 -16.929 2.254 7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -17.747 0.102 8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -17.636 0.101 6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -15.906 1.453 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -14.783 2.466 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -14.594 0.697 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -16.848 -2.020 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -15.516 -1.159 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -15.628 -1.158 8.834 1.00 0.00 H new ATOM 51 N SER A 5 -15.338 3.884 9.617 1.00 0.00 N ATOM 52 CA SER A 5 -14.755 5.222 9.722 1.00 0.00 C ATOM 53 C SER A 5 -14.472 5.816 8.339 1.00 0.00 C ATOM 54 O SER A 5 -14.282 5.086 7.363 1.00 0.00 O ATOM 55 CB SER A 5 -13.476 5.190 10.573 1.00 0.00 C ATOM 56 OG SER A 5 -13.003 6.498 10.851 1.00 0.00 O ATOM 0 H SER A 5 -16.329 3.849 9.857 1.00 0.00 H new ATOM 0 HA SER A 5 -15.482 5.866 10.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.673 4.667 11.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.704 4.626 10.050 1.00 0.00 H new ATOM 0 HG SER A 5 -12.282 6.724 10.228 1.00 0.00 H new ATOM 62 N HIS A 6 -14.488 7.151 8.260 1.00 0.00 N ATOM 63 CA HIS A 6 -14.152 7.873 7.027 1.00 0.00 C ATOM 64 C HIS A 6 -15.126 7.553 5.895 1.00 0.00 C ATOM 65 O HIS A 6 -14.837 7.822 4.730 1.00 0.00 O ATOM 66 CB HIS A 6 -12.718 7.546 6.591 1.00 0.00 C ATOM 67 CG HIS A 6 -11.667 8.118 7.493 1.00 0.00 C ATOM 68 ND1 HIS A 6 -11.480 7.711 8.797 1.00 0.00 N ATOM 69 CD2 HIS A 6 -10.750 9.085 7.270 1.00 0.00 C ATOM 70 CE1 HIS A 6 -10.493 8.404 9.333 1.00 0.00 C ATOM 71 NE2 HIS A 6 -10.032 9.243 8.429 1.00 0.00 N ATOM 0 H HIS A 6 -14.732 7.758 9.042 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.231 8.938 7.243 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.598 6.463 6.550 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.561 7.923 5.580 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.608 9.632 6.350 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.125 8.300 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.266 9.903 8.567 1.00 0.00 H new ATOM 80 N SER A 7 -16.284 6.997 6.255 1.00 0.00 N ATOM 81 CA SER A 7 -17.295 6.581 5.283 1.00 0.00 C ATOM 82 C SER A 7 -16.747 5.507 4.344 1.00 0.00 C ATOM 83 O SER A 7 -17.286 5.274 3.260 1.00 0.00 O ATOM 84 CB SER A 7 -17.789 7.787 4.480 1.00 0.00 C ATOM 85 OG SER A 7 -18.325 8.786 5.334 1.00 0.00 O ATOM 0 H SER A 7 -16.546 6.823 7.225 1.00 0.00 H new ATOM 0 HA SER A 7 -18.135 6.154 5.831 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.965 8.204 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.550 7.467 3.768 1.00 0.00 H new ATOM 0 HG SER A 7 -18.632 9.546 4.796 1.00 0.00 H new ATOM 91 N GLY A 8 -15.685 4.842 4.772 1.00 0.00 N ATOM 92 CA GLY A 8 -15.060 3.836 3.947 1.00 0.00 C ATOM 93 C GLY A 8 -13.812 4.364 3.274 1.00 0.00 C ATOM 94 O GLY A 8 -13.121 5.219 3.824 1.00 0.00 O ATOM 0 H GLY A 8 -15.245 4.984 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.806 2.970 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.766 3.496 3.190 1.00 0.00 H new ATOM 98 N ASN A 9 -13.526 3.863 2.083 1.00 0.00 N ATOM 99 CA ASN A 9 -12.340 4.285 1.348 1.00 0.00 C ATOM 100 C ASN A 9 -12.702 4.716 -0.070 1.00 0.00 C ATOM 101 O ASN A 9 -11.836 5.002 -0.895 1.00 0.00 O ATOM 102 CB ASN A 9 -11.327 3.142 1.317 1.00 0.00 C ATOM 103 CG ASN A 9 -9.998 3.527 0.693 1.00 0.00 C ATOM 104 OD1 ASN A 9 -9.574 4.683 0.734 1.00 0.00 O ATOM 105 ND2 ASN A 9 -9.321 2.543 0.142 1.00 0.00 N ATOM 0 H ASN A 9 -14.096 3.166 1.604 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.899 5.144 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.154 2.793 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.752 2.306 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.407 2.723 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.710 1.600 0.130 1.00 0.00 H new ATOM 112 N LEU A 10 -13.999 4.757 -0.334 1.00 0.00 N ATOM 113 CA LEU A 10 -14.538 5.164 -1.641 1.00 0.00 C ATOM 114 C LEU A 10 -14.107 4.221 -2.778 1.00 0.00 C ATOM 115 O LEU A 10 -14.475 4.431 -3.936 1.00 0.00 O ATOM 116 CB LEU A 10 -14.084 6.593 -1.968 1.00 0.00 C ATOM 117 CG LEU A 10 -14.357 7.640 -0.882 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.645 8.946 -1.211 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.851 7.875 -0.736 1.00 0.00 C ATOM 0 H LEU A 10 -14.716 4.510 0.348 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.624 5.116 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.013 6.577 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.578 6.911 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.971 7.264 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.849 9.678 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.571 8.770 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.005 9.326 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.028 8.621 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.257 8.232 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.341 6.941 -0.460 1.00 0.00 H new ATOM 131 N TYR A 11 -13.352 3.177 -2.452 1.00 0.00 N ATOM 132 CA TYR A 11 -12.766 2.325 -3.471 1.00 0.00 C ATOM 133 C TYR A 11 -13.539 1.026 -3.628 1.00 0.00 C ATOM 134 O TYR A 11 -14.459 0.728 -2.858 1.00 0.00 O ATOM 135 CB TYR A 11 -11.305 2.020 -3.140 1.00 0.00 C ATOM 136 CG TYR A 11 -10.340 2.399 -4.242 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.160 1.581 -5.350 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.615 3.582 -4.181 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.287 1.927 -6.364 1.00 0.00 C ATOM 140 CE2 TYR A 11 -8.740 3.936 -5.193 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.581 3.104 -6.282 1.00 0.00 C ATOM 142 OH TYR A 11 -7.706 3.441 -7.288 1.00 0.00 O ATOM 0 H TYR A 11 -13.134 2.904 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.816 2.867 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.029 2.551 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.204 0.955 -2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.713 0.656 -5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.736 4.236 -3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.160 1.276 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.184 4.860 -5.131 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.021 3.064 -8.136 1.00 0.00 H new ATOM 152 N THR A 12 -13.130 0.253 -4.618 1.00 0.00 N ATOM 153 CA THR A 12 -13.797 -0.989 -4.968 1.00 0.00 C ATOM 154 C THR A 12 -13.464 -2.076 -3.953 1.00 0.00 C ATOM 155 O THR A 12 -12.363 -2.100 -3.397 1.00 0.00 O ATOM 156 CB THR A 12 -13.376 -1.461 -6.375 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.228 -0.328 -7.238 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.403 -2.420 -6.961 1.00 0.00 C ATOM 0 H THR A 12 -12.324 0.469 -5.204 1.00 0.00 H new ATOM 0 HA THR A 12 -14.871 -0.803 -4.962 1.00 0.00 H new ATOM 0 HB THR A 12 -12.425 -1.987 -6.290 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.959 -0.630 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.081 -2.737 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.497 -3.292 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.368 -1.919 -7.036 1.00 0.00 H new ATOM 166 N ALA A 13 -14.429 -2.953 -3.706 1.00 0.00 N ATOM 167 CA ALA A 13 -14.278 -4.037 -2.746 1.00 0.00 C ATOM 168 C ALA A 13 -13.047 -4.889 -3.039 1.00 0.00 C ATOM 169 O ALA A 13 -12.991 -5.595 -4.047 1.00 0.00 O ATOM 170 CB ALA A 13 -15.525 -4.905 -2.745 1.00 0.00 C ATOM 0 H ALA A 13 -15.339 -2.932 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.142 -3.591 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.405 -5.714 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.389 -4.300 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.677 -5.325 -3.739 1.00 0.00 H new ATOM 176 N GLY A 14 -12.063 -4.804 -2.155 1.00 0.00 N ATOM 177 CA GLY A 14 -10.873 -5.615 -2.287 1.00 0.00 C ATOM 178 C GLY A 14 -9.929 -5.114 -3.360 1.00 0.00 C ATOM 179 O GLY A 14 -9.428 -5.900 -4.159 1.00 0.00 O ATOM 0 H GLY A 14 -12.070 -4.184 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.348 -5.638 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.163 -6.640 -2.516 1.00 0.00 H new ATOM 183 N GLN A 15 -9.705 -3.807 -3.392 1.00 0.00 N ATOM 184 CA GLN A 15 -8.708 -3.224 -4.291 1.00 0.00 C ATOM 185 C GLN A 15 -7.348 -3.154 -3.612 1.00 0.00 C ATOM 186 O GLN A 15 -7.264 -3.208 -2.383 1.00 0.00 O ATOM 187 CB GLN A 15 -9.121 -1.818 -4.730 1.00 0.00 C ATOM 188 CG GLN A 15 -10.078 -1.794 -5.904 1.00 0.00 C ATOM 189 CD GLN A 15 -9.419 -2.251 -7.188 1.00 0.00 C ATOM 190 OE1 GLN A 15 -8.830 -1.454 -7.919 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.531 -3.530 -7.483 1.00 0.00 N ATOM 0 H GLN A 15 -10.196 -3.129 -2.809 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.643 -3.867 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.585 -1.307 -3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.226 -1.253 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.932 -2.436 -5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.464 -0.783 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.027 -4.158 -6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.122 -3.893 -8.344 1.00 0.00 H new ATOM 200 N CYS A 16 -6.293 -3.034 -4.413 1.00 0.00 N ATOM 201 CA CYS A 16 -4.937 -2.873 -3.886 1.00 0.00 C ATOM 202 C CYS A 16 -4.854 -1.667 -2.964 1.00 0.00 C ATOM 203 O CYS A 16 -4.425 -1.775 -1.815 1.00 0.00 O ATOM 204 CB CYS A 16 -3.929 -2.742 -5.029 1.00 0.00 C ATOM 205 SG CYS A 16 -4.407 -1.556 -6.307 1.00 0.00 S ATOM 0 H CYS A 16 -6.349 -3.045 -5.431 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.691 -3.763 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.965 -2.445 -4.616 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.791 -3.720 -5.490 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.767 -2.196 -7.380 1.00 0.00 H new ATOM 211 N THR A 17 -5.310 -0.528 -3.459 1.00 0.00 N ATOM 212 CA THR A 17 -5.293 0.704 -2.684 1.00 0.00 C ATOM 213 C THR A 17 -6.367 0.670 -1.606 1.00 0.00 C ATOM 214 O THR A 17 -6.291 1.384 -0.605 1.00 0.00 O ATOM 215 CB THR A 17 -5.515 1.924 -3.591 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.628 1.677 -4.457 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.281 2.215 -4.430 1.00 0.00 C ATOM 0 H THR A 17 -5.698 -0.430 -4.397 1.00 0.00 H new ATOM 0 HA THR A 17 -4.314 0.789 -2.213 1.00 0.00 H new ATOM 0 HB THR A 17 -5.715 2.789 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.064 2.526 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.467 3.083 -5.062 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.435 2.418 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.055 1.352 -5.056 1.00 0.00 H new ATOM 225 N TRP A 18 -7.361 -0.179 -1.811 1.00 0.00 N ATOM 226 CA TRP A 18 -8.455 -0.304 -0.871 1.00 0.00 C ATOM 227 C TRP A 18 -7.998 -1.050 0.380 1.00 0.00 C ATOM 228 O TRP A 18 -8.224 -0.600 1.503 1.00 0.00 O ATOM 229 CB TRP A 18 -9.633 -1.031 -1.522 1.00 0.00 C ATOM 230 CG TRP A 18 -10.853 -1.108 -0.657 1.00 0.00 C ATOM 231 CD1 TRP A 18 -11.870 -0.201 -0.593 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.191 -2.151 0.264 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.816 -0.616 0.309 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.422 -1.807 0.853 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.571 -3.340 0.650 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.044 -2.609 1.807 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.188 -4.136 1.595 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.414 -3.768 2.164 1.00 0.00 C ATOM 0 H TRP A 18 -7.430 -0.792 -2.623 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.779 0.695 -0.580 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.891 -0.524 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.322 -2.042 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.923 0.711 -1.169 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.675 -0.116 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.626 -3.633 0.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.988 -2.326 2.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.717 -5.059 1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.871 -4.413 2.900 1.00 0.00 H new ATOM 249 N TYR A 19 -7.332 -2.180 0.168 1.00 0.00 N ATOM 250 CA TYR A 19 -6.909 -3.042 1.265 1.00 0.00 C ATOM 251 C TYR A 19 -5.903 -2.339 2.165 1.00 0.00 C ATOM 252 O TYR A 19 -5.923 -2.508 3.382 1.00 0.00 O ATOM 253 CB TYR A 19 -6.301 -4.319 0.702 1.00 0.00 C ATOM 254 CG TYR A 19 -5.945 -5.354 1.745 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.931 -5.950 2.521 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.629 -5.753 1.935 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.615 -6.909 3.461 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.307 -6.717 2.871 1.00 0.00 C ATOM 259 CZ TYR A 19 -5.305 -7.293 3.630 1.00 0.00 C ATOM 260 OH TYR A 19 -4.987 -8.256 4.559 1.00 0.00 O ATOM 0 H TYR A 19 -7.073 -2.521 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.784 -3.285 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.003 -4.760 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.402 -4.062 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.962 -5.658 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.846 -5.303 1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.393 -7.356 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.279 -7.018 3.008 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.019 -8.411 4.551 1.00 0.00 H new ATOM 270 N VAL A 20 -5.022 -1.560 1.556 1.00 0.00 N ATOM 271 CA VAL A 20 -4.035 -0.793 2.303 1.00 0.00 C ATOM 272 C VAL A 20 -4.713 0.143 3.305 1.00 0.00 C ATOM 273 O VAL A 20 -4.293 0.254 4.459 1.00 0.00 O ATOM 274 CB VAL A 20 -3.139 0.022 1.349 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.208 0.940 2.124 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.343 -0.910 0.452 1.00 0.00 C ATOM 0 H VAL A 20 -4.970 -1.442 0.544 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.413 -1.500 2.852 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.782 0.645 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.588 1.503 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.797 1.632 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.570 0.344 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.714 -0.322 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.715 -1.557 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.027 -1.521 -0.137 1.00 0.00 H new ATOM 286 N TYR A 21 -5.786 0.785 2.861 1.00 0.00 N ATOM 287 CA TYR A 21 -6.523 1.725 3.694 1.00 0.00 C ATOM 288 C TYR A 21 -7.259 0.980 4.805 1.00 0.00 C ATOM 289 O TYR A 21 -7.364 1.465 5.934 1.00 0.00 O ATOM 290 CB TYR A 21 -7.506 2.504 2.826 1.00 0.00 C ATOM 291 CG TYR A 21 -8.059 3.753 3.461 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.296 4.906 3.538 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.357 3.789 3.949 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.812 6.063 4.081 1.00 0.00 C ATOM 295 CE2 TYR A 21 -9.880 4.941 4.497 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.102 6.079 4.561 1.00 0.00 C ATOM 297 OH TYR A 21 -9.617 7.237 5.098 1.00 0.00 O ATOM 0 H TYR A 21 -6.167 0.670 1.922 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.827 2.424 4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.009 2.776 1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.336 1.848 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.282 4.899 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.968 2.900 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.205 6.955 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.892 4.953 4.874 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.585 7.264 4.950 1.00 0.00 H new ATOM 307 N ASP A 22 -7.754 -0.205 4.476 1.00 0.00 N ATOM 308 CA ASP A 22 -8.405 -1.070 5.454 1.00 0.00 C ATOM 309 C ASP A 22 -7.413 -1.503 6.533 1.00 0.00 C ATOM 310 O ASP A 22 -7.701 -1.420 7.728 1.00 0.00 O ATOM 311 CB ASP A 22 -9.000 -2.299 4.755 1.00 0.00 C ATOM 312 CG ASP A 22 -9.461 -3.372 5.730 1.00 0.00 C ATOM 313 OD1 ASP A 22 -8.636 -4.228 6.118 1.00 0.00 O ATOM 314 OD2 ASP A 22 -10.652 -3.370 6.107 1.00 0.00 O ATOM 0 H ASP A 22 -7.717 -0.593 3.533 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.210 -0.511 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.844 -1.987 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.255 -2.723 4.082 1.00 0.00 H new ATOM 319 N LYS A 23 -6.233 -1.930 6.099 1.00 0.00 N ATOM 320 CA LYS A 23 -5.198 -2.407 7.011 1.00 0.00 C ATOM 321 C LYS A 23 -4.696 -1.304 7.940 1.00 0.00 C ATOM 322 O LYS A 23 -4.380 -1.566 9.098 1.00 0.00 O ATOM 323 CB LYS A 23 -4.034 -3.007 6.222 1.00 0.00 C ATOM 324 CG LYS A 23 -4.342 -4.378 5.635 1.00 0.00 C ATOM 325 CD LYS A 23 -4.408 -5.449 6.716 1.00 0.00 C ATOM 326 CE LYS A 23 -3.024 -5.793 7.242 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.076 -6.748 8.380 1.00 0.00 N ATOM 0 H LYS A 23 -5.967 -1.956 5.115 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.646 -3.179 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.764 -2.327 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.165 -3.087 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.291 -4.341 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.576 -4.643 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.035 -5.101 7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.879 -6.346 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.428 -6.222 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.521 -4.880 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.109 -7.006 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.564 -6.304 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.592 -7.604 8.092 1.00 0.00 H new ATOM 341 N VAL A 24 -4.627 -0.073 7.445 1.00 0.00 N ATOM 342 CA VAL A 24 -4.204 1.044 8.287 1.00 0.00 C ATOM 343 C VAL A 24 -5.375 1.584 9.105 1.00 0.00 C ATOM 344 O VAL A 24 -5.202 2.464 9.947 1.00 0.00 O ATOM 345 CB VAL A 24 -3.574 2.202 7.476 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.349 1.724 6.716 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.588 2.825 6.525 1.00 0.00 C ATOM 0 H VAL A 24 -4.854 0.176 6.482 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.438 0.646 8.953 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.261 2.971 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.923 2.555 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.609 1.345 7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.635 0.929 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.116 3.635 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.946 2.068 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.429 3.219 7.096 1.00 0.00 H new ATOM 357 N GLY A 25 -6.567 1.053 8.851 1.00 0.00 N ATOM 358 CA GLY A 25 -7.748 1.484 9.578 1.00 0.00 C ATOM 359 C GLY A 25 -8.137 2.913 9.257 1.00 0.00 C ATOM 360 O GLY A 25 -8.524 3.671 10.146 1.00 0.00 O ATOM 0 H GLY A 25 -6.737 0.329 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.580 0.822 9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.565 1.392 10.649 1.00 0.00 H new ATOM 364 N GLY A 26 -8.012 3.286 7.989 1.00 0.00 N ATOM 365 CA GLY A 26 -8.367 4.629 7.560 1.00 0.00 C ATOM 366 C GLY A 26 -7.439 5.692 8.120 1.00 0.00 C ATOM 367 O GLY A 26 -7.775 6.879 8.126 1.00 0.00 O ATOM 0 H GLY A 26 -7.669 2.679 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.348 4.674 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.389 4.846 7.870 1.00 0.00 H new ATOM 371 N GLU A 27 -6.269 5.268 8.582 1.00 0.00 N ATOM 372 CA GLU A 27 -5.309 6.174 9.199 1.00 0.00 C ATOM 373 C GLU A 27 -4.772 7.184 8.189 1.00 0.00 C ATOM 374 O GLU A 27 -4.756 8.387 8.455 1.00 0.00 O ATOM 375 CB GLU A 27 -4.163 5.380 9.826 1.00 0.00 C ATOM 376 CG GLU A 27 -3.188 6.226 10.622 1.00 0.00 C ATOM 377 CD GLU A 27 -2.223 5.384 11.429 1.00 0.00 C ATOM 378 OE1 GLU A 27 -2.553 5.041 12.586 1.00 0.00 O ATOM 379 OE2 GLU A 27 -1.138 5.056 10.915 1.00 0.00 O ATOM 0 H GLU A 27 -5.961 4.296 8.540 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.823 6.730 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.581 4.614 10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.618 4.863 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.627 6.867 9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.743 6.882 11.293 1.00 0.00 H new ATOM 386 N ILE A 28 -4.343 6.696 7.032 1.00 0.00 N ATOM 387 CA ILE A 28 -3.835 7.573 5.983 1.00 0.00 C ATOM 388 C ILE A 28 -4.474 7.223 4.645 1.00 0.00 C ATOM 389 O ILE A 28 -4.780 6.061 4.390 1.00 0.00 O ATOM 390 CB ILE A 28 -2.275 7.514 5.842 1.00 0.00 C ATOM 391 CG1 ILE A 28 -1.822 6.628 4.660 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.630 7.022 7.131 1.00 0.00 C ATOM 393 CD1 ILE A 28 -1.958 5.134 4.890 1.00 0.00 C ATOM 0 H ILE A 28 -4.336 5.704 6.796 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.101 8.589 6.274 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.945 8.533 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.403 6.899 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.779 6.853 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.548 6.990 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.882 7.700 7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.998 6.023 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.615 4.597 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.354 4.842 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.003 4.889 5.081 1.00 0.00 H new ATOM 405 N GLY A 29 -4.721 8.226 3.818 1.00 0.00 N ATOM 406 CA GLY A 29 -5.028 7.959 2.431 1.00 0.00 C ATOM 407 C GLY A 29 -6.409 8.385 1.990 1.00 0.00 C ATOM 408 O GLY A 29 -6.868 9.468 2.345 1.00 0.00 O ATOM 0 H GLY A 29 -4.715 9.212 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.291 8.465 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.918 6.890 2.249 1.00 0.00 H new ATOM 412 N SER A 30 -7.045 7.509 1.196 1.00 0.00 N ATOM 413 CA SER A 30 -8.342 7.739 0.523 1.00 0.00 C ATOM 414 C SER A 30 -8.268 8.875 -0.505 1.00 0.00 C ATOM 415 O SER A 30 -8.768 8.742 -1.620 1.00 0.00 O ATOM 416 CB SER A 30 -9.510 7.947 1.514 1.00 0.00 C ATOM 417 OG SER A 30 -9.361 9.111 2.309 1.00 0.00 O ATOM 0 H SER A 30 -6.660 6.586 0.995 1.00 0.00 H new ATOM 0 HA SER A 30 -8.559 6.820 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.445 8.011 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.586 7.076 2.165 1.00 0.00 H new ATOM 0 HG SER A 30 -8.487 9.518 2.133 1.00 0.00 H new ATOM 423 N THR A 31 -7.611 9.968 -0.149 1.00 0.00 N ATOM 424 CA THR A 31 -7.470 11.106 -1.047 1.00 0.00 C ATOM 425 C THR A 31 -6.181 10.996 -1.872 1.00 0.00 C ATOM 426 O THR A 31 -5.774 11.948 -2.538 1.00 0.00 O ATOM 427 CB THR A 31 -7.480 12.437 -0.254 1.00 0.00 C ATOM 428 OG1 THR A 31 -7.442 13.563 -1.144 1.00 0.00 O ATOM 429 CG2 THR A 31 -6.304 12.511 0.714 1.00 0.00 C ATOM 0 H THR A 31 -7.165 10.092 0.760 1.00 0.00 H new ATOM 0 HA THR A 31 -8.320 11.099 -1.729 1.00 0.00 H new ATOM 0 HB THR A 31 -8.407 12.467 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.868 13.355 -1.910 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.338 13.456 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.363 11.684 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.369 12.446 0.157 1.00 0.00 H new ATOM 437 N TRP A 32 -5.553 9.821 -1.840 1.00 0.00 N ATOM 438 CA TRP A 32 -4.297 9.614 -2.556 1.00 0.00 C ATOM 439 C TRP A 32 -4.542 9.233 -4.019 1.00 0.00 C ATOM 440 O TRP A 32 -3.602 9.109 -4.806 1.00 0.00 O ATOM 441 CB TRP A 32 -3.446 8.542 -1.862 1.00 0.00 C ATOM 442 CG TRP A 32 -4.123 7.214 -1.756 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.943 6.649 -2.677 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.022 6.281 -0.682 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.380 5.437 -2.246 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.829 5.176 -1.019 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.333 6.269 0.531 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -4.968 4.075 -0.185 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.471 5.170 1.363 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.284 4.085 1.001 1.00 0.00 C ATOM 0 H TRP A 32 -5.891 9.005 -1.330 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.752 10.558 -2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.512 8.421 -2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.186 8.888 -0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.211 7.100 -3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.015 4.821 -2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.705 7.100 0.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.594 3.240 -0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.944 5.148 2.306 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.372 3.242 1.670 1.00 0.00 H new ATOM 461 N GLY A 33 -5.801 9.028 -4.376 1.00 0.00 N ATOM 462 CA GLY A 33 -6.108 8.599 -5.720 1.00 0.00 C ATOM 463 C GLY A 33 -5.882 7.117 -5.902 1.00 0.00 C ATOM 464 O GLY A 33 -6.541 6.295 -5.267 1.00 0.00 O ATOM 0 H GLY A 33 -6.608 9.150 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.146 8.839 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.489 9.151 -6.428 1.00 0.00 H new ATOM 468 N ASN A 34 -4.935 6.781 -6.756 1.00 0.00 N ATOM 469 CA ASN A 34 -4.560 5.406 -6.983 1.00 0.00 C ATOM 470 C ASN A 34 -3.058 5.259 -6.797 1.00 0.00 C ATOM 471 O ASN A 34 -2.349 6.259 -6.691 1.00 0.00 O ATOM 472 CB ASN A 34 -4.991 4.959 -8.380 1.00 0.00 C ATOM 473 CG ASN A 34 -4.507 5.895 -9.473 1.00 0.00 C ATOM 474 OD1 ASN A 34 -5.191 6.848 -9.839 1.00 0.00 O ATOM 475 ND2 ASN A 34 -3.327 5.630 -10.003 1.00 0.00 N ATOM 0 H ASN A 34 -4.407 7.455 -7.310 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.067 4.765 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.607 3.957 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.079 4.896 -8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.955 6.226 -10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.788 4.830 -9.673 1.00 0.00 H new ATOM 482 N ALA A 35 -2.583 4.020 -6.781 1.00 0.00 N ATOM 483 CA ALA A 35 -1.194 3.712 -6.435 1.00 0.00 C ATOM 484 C ALA A 35 -0.183 4.551 -7.217 1.00 0.00 C ATOM 485 O ALA A 35 0.723 5.134 -6.641 1.00 0.00 O ATOM 486 CB ALA A 35 -0.936 2.236 -6.657 1.00 0.00 C ATOM 0 H ALA A 35 -3.145 3.199 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.056 3.965 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.098 2.005 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.606 1.651 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.114 1.989 -7.704 1.00 0.00 H new ATOM 492 N ASN A 36 -0.357 4.606 -8.527 1.00 0.00 N ATOM 493 CA ASN A 36 0.534 5.354 -9.418 1.00 0.00 C ATOM 494 C ASN A 36 0.710 6.809 -8.974 1.00 0.00 C ATOM 495 O ASN A 36 1.791 7.381 -9.103 1.00 0.00 O ATOM 496 CB ASN A 36 -0.033 5.303 -10.837 1.00 0.00 C ATOM 497 CG ASN A 36 0.787 6.074 -11.852 1.00 0.00 C ATOM 498 OD1 ASN A 36 0.554 7.259 -12.081 1.00 0.00 O ATOM 499 ND2 ASN A 36 1.742 5.405 -12.474 1.00 0.00 N ATOM 0 H ASN A 36 -1.121 4.134 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 36 1.520 4.890 -9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.101 4.262 -11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.048 5.700 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.319 5.872 -13.174 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.902 4.422 -12.254 1.00 0.00 H new ATOM 506 N ASN A 37 -0.342 7.384 -8.415 1.00 0.00 N ATOM 507 CA ASN A 37 -0.351 8.799 -8.068 1.00 0.00 C ATOM 508 C ASN A 37 -0.104 8.993 -6.568 1.00 0.00 C ATOM 509 O ASN A 37 -0.177 10.107 -6.054 1.00 0.00 O ATOM 510 CB ASN A 37 -1.698 9.405 -8.493 1.00 0.00 C ATOM 511 CG ASN A 37 -1.760 10.915 -8.352 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.295 11.648 -9.225 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.365 11.387 -7.276 1.00 0.00 N ATOM 0 H ASN A 37 -1.206 6.891 -8.190 1.00 0.00 H new ATOM 0 HA ASN A 37 0.454 9.311 -8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.895 9.138 -9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.492 8.960 -7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.461 12.394 -7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.736 10.744 -6.576 1.00 0.00 H new ATOM 520 N TRP A 38 0.230 7.901 -5.884 1.00 0.00 N ATOM 521 CA TRP A 38 0.402 7.909 -4.430 1.00 0.00 C ATOM 522 C TRP A 38 1.341 8.998 -3.947 1.00 0.00 C ATOM 523 O TRP A 38 0.930 9.876 -3.203 1.00 0.00 O ATOM 524 CB TRP A 38 0.928 6.571 -3.942 1.00 0.00 C ATOM 525 CG TRP A 38 -0.101 5.776 -3.225 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.385 5.550 -3.612 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.078 5.102 -1.985 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.023 4.778 -2.682 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.142 4.488 -1.663 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.161 4.961 -1.115 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.305 3.742 -0.494 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.995 4.225 0.033 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.226 3.629 0.336 1.00 0.00 C ATOM 0 H TRP A 38 0.388 6.991 -6.317 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.588 8.106 -4.018 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.296 5.998 -4.793 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.777 6.739 -3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.834 5.925 -4.520 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.993 4.467 -2.734 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.111 5.422 -1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.248 3.272 -0.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.826 4.107 0.712 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.323 3.063 1.251 1.00 0.00 H new ATOM 544 N ALA A 39 2.601 8.929 -4.359 1.00 0.00 N ATOM 545 CA ALA A 39 3.612 9.857 -3.867 1.00 0.00 C ATOM 546 C ALA A 39 3.188 11.310 -4.068 1.00 0.00 C ATOM 547 O ALA A 39 3.432 12.152 -3.211 1.00 0.00 O ATOM 548 CB ALA A 39 4.952 9.588 -4.535 1.00 0.00 C ATOM 0 H ALA A 39 2.946 8.243 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 39 3.719 9.694 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.695 10.290 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.270 8.569 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.852 9.712 -5.613 1.00 0.00 H new ATOM 554 N ALA A 40 2.529 11.586 -5.184 1.00 0.00 N ATOM 555 CA ALA A 40 2.051 12.929 -5.475 1.00 0.00 C ATOM 556 C ALA A 40 0.905 13.325 -4.543 1.00 0.00 C ATOM 557 O ALA A 40 0.966 14.356 -3.869 1.00 0.00 O ATOM 558 CB ALA A 40 1.609 13.018 -6.927 1.00 0.00 C ATOM 0 H ALA A 40 2.313 10.896 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 40 2.871 13.627 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.252 14.026 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.452 12.788 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.805 12.304 -7.107 1.00 0.00 H new ATOM 564 N ALA A 41 -0.124 12.485 -4.487 1.00 0.00 N ATOM 565 CA ALA A 41 -1.311 12.770 -3.687 1.00 0.00 C ATOM 566 C ALA A 41 -0.989 12.772 -2.199 1.00 0.00 C ATOM 567 O ALA A 41 -1.463 13.627 -1.453 1.00 0.00 O ATOM 568 CB ALA A 41 -2.408 11.761 -3.984 1.00 0.00 C ATOM 0 H ALA A 41 -0.160 11.597 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.663 13.765 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.285 11.989 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.673 11.812 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.054 10.758 -3.746 1.00 0.00 H new ATOM 574 N ALA A 42 -0.180 11.808 -1.777 1.00 0.00 N ATOM 575 CA ALA A 42 0.220 11.684 -0.384 1.00 0.00 C ATOM 576 C ALA A 42 0.959 12.939 0.077 1.00 0.00 C ATOM 577 O ALA A 42 0.637 13.511 1.117 1.00 0.00 O ATOM 578 CB ALA A 42 1.096 10.458 -0.196 1.00 0.00 C ATOM 0 H ALA A 42 0.215 11.094 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.678 11.570 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.388 10.377 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.541 9.566 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.988 10.550 -0.816 1.00 0.00 H new ATOM 584 N GLN A 43 1.940 13.373 -0.716 1.00 0.00 N ATOM 585 CA GLN A 43 2.717 14.567 -0.394 1.00 0.00 C ATOM 586 C GLN A 43 1.821 15.797 -0.337 1.00 0.00 C ATOM 587 O GLN A 43 1.916 16.597 0.595 1.00 0.00 O ATOM 588 CB GLN A 43 3.836 14.787 -1.417 1.00 0.00 C ATOM 589 CG GLN A 43 4.986 13.805 -1.286 1.00 0.00 C ATOM 590 CD GLN A 43 6.059 14.012 -2.335 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.256 15.120 -2.834 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.775 12.949 -2.662 1.00 0.00 N ATOM 0 H GLN A 43 2.214 12.915 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 43 3.167 14.413 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.418 14.711 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.222 15.801 -1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.430 13.903 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.600 12.789 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.580 12.048 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.523 13.030 -3.351 1.00 0.00 H new ATOM 601 N GLY A 44 0.944 15.936 -1.326 1.00 0.00 N ATOM 602 CA GLY A 44 0.019 17.055 -1.351 1.00 0.00 C ATOM 603 C GLY A 44 -0.922 17.054 -0.160 1.00 0.00 C ATOM 604 O GLY A 44 -1.273 18.110 0.369 1.00 0.00 O ATOM 0 H GLY A 44 0.857 15.292 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.582 17.988 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.564 17.021 -2.271 1.00 0.00 H new ATOM 608 N ALA A 45 -1.310 15.861 0.278 1.00 0.00 N ATOM 609 CA ALA A 45 -2.208 15.706 1.417 1.00 0.00 C ATOM 610 C ALA A 45 -1.486 15.976 2.734 1.00 0.00 C ATOM 611 O ALA A 45 -2.121 16.132 3.777 1.00 0.00 O ATOM 612 CB ALA A 45 -2.811 14.312 1.428 1.00 0.00 C ATOM 0 H ALA A 45 -1.014 14.980 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.008 16.440 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.479 14.211 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.373 14.151 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.014 13.572 1.500 1.00 0.00 H new ATOM 618 N GLY A 46 -0.158 16.011 2.684 1.00 0.00 N ATOM 619 CA GLY A 46 0.617 16.346 3.862 1.00 0.00 C ATOM 620 C GLY A 46 1.292 15.143 4.490 1.00 0.00 C ATOM 621 O GLY A 46 1.775 15.219 5.620 1.00 0.00 O ATOM 0 H GLY A 46 0.394 15.813 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.375 17.082 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.036 16.815 4.598 1.00 0.00 H new ATOM 625 N PHE A 47 1.331 14.030 3.768 1.00 0.00 N ATOM 626 CA PHE A 47 1.971 12.826 4.284 1.00 0.00 C ATOM 627 C PHE A 47 3.480 12.957 4.182 1.00 0.00 C ATOM 628 O PHE A 47 4.000 13.662 3.313 1.00 0.00 O ATOM 629 CB PHE A 47 1.550 11.568 3.513 1.00 0.00 C ATOM 630 CG PHE A 47 0.076 11.252 3.514 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.849 12.077 4.130 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.376 10.112 2.872 1.00 0.00 C ATOM 633 CE1 PHE A 47 -2.194 11.770 4.104 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.717 9.797 2.842 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.629 10.629 3.457 1.00 0.00 C ATOM 0 H PHE A 47 0.932 13.935 2.834 1.00 0.00 H new ATOM 0 HA PHE A 47 1.656 12.722 5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.878 11.674 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.084 10.715 3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.515 12.970 4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.334 9.459 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.906 12.421 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.053 8.902 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.682 10.389 3.433 1.00 0.00 H new ATOM 645 N THR A 48 4.175 12.264 5.058 1.00 0.00 N ATOM 646 CA THR A 48 5.618 12.197 5.004 1.00 0.00 C ATOM 647 C THR A 48 6.029 11.029 4.114 1.00 0.00 C ATOM 648 O THR A 48 5.927 9.862 4.509 1.00 0.00 O ATOM 649 CB THR A 48 6.217 12.030 6.413 1.00 0.00 C ATOM 650 OG1 THR A 48 5.698 13.045 7.289 1.00 0.00 O ATOM 651 CG2 THR A 48 7.735 12.118 6.371 1.00 0.00 C ATOM 0 H THR A 48 3.758 11.734 5.823 1.00 0.00 H new ATOM 0 HA THR A 48 6.001 13.129 4.589 1.00 0.00 H new ATOM 0 HB THR A 48 5.937 11.046 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.858 12.735 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.134 11.997 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.127 11.330 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.032 13.090 5.977 1.00 0.00 H new ATOM 659 N VAL A 49 6.445 11.338 2.897 1.00 0.00 N ATOM 660 CA VAL A 49 6.776 10.312 1.924 1.00 0.00 C ATOM 661 C VAL A 49 8.277 10.074 1.869 1.00 0.00 C ATOM 662 O VAL A 49 9.047 10.958 1.493 1.00 0.00 O ATOM 663 CB VAL A 49 6.270 10.685 0.514 1.00 0.00 C ATOM 664 CG1 VAL A 49 6.603 9.590 -0.492 1.00 0.00 C ATOM 665 CG2 VAL A 49 4.773 10.953 0.540 1.00 0.00 C ATOM 0 H VAL A 49 6.561 12.293 2.559 1.00 0.00 H new ATOM 0 HA VAL A 49 6.278 9.398 2.247 1.00 0.00 H new ATOM 0 HB VAL A 49 6.779 11.596 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.236 9.877 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.683 9.451 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.128 8.658 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.433 11.215 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.249 10.059 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.563 11.777 1.221 1.00 0.00 H new ATOM 675 N ASN A 50 8.680 8.876 2.252 1.00 0.00 N ATOM 676 CA ASN A 50 10.059 8.462 2.170 1.00 0.00 C ATOM 677 C ASN A 50 10.086 7.194 1.334 1.00 0.00 C ATOM 678 O ASN A 50 9.207 6.983 0.497 1.00 0.00 O ATOM 679 CB ASN A 50 10.633 8.170 3.566 1.00 0.00 C ATOM 680 CG ASN A 50 10.385 9.261 4.588 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.343 10.451 4.269 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.226 8.851 5.837 1.00 0.00 N ATOM 0 H ASN A 50 8.054 8.164 2.629 1.00 0.00 H new ATOM 0 HA ASN A 50 10.664 9.252 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.202 7.239 3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.708 8.010 3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.061 9.530 6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.268 7.856 6.056 1.00 0.00 H new ATOM 689 N HIS A 51 11.047 6.334 1.589 1.00 0.00 N ATOM 690 CA HIS A 51 11.109 5.048 0.910 1.00 0.00 C ATOM 691 C HIS A 51 11.851 4.007 1.752 1.00 0.00 C ATOM 692 O HIS A 51 13.002 3.657 1.493 1.00 0.00 O ATOM 693 CB HIS A 51 11.722 5.173 -0.505 1.00 0.00 C ATOM 694 CG HIS A 51 13.072 5.840 -0.582 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.667 6.183 -1.777 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.940 6.226 0.384 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.837 6.744 -1.540 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.027 6.782 -0.237 1.00 0.00 N ATOM 0 H HIS A 51 11.798 6.497 2.260 1.00 0.00 H new ATOM 0 HA HIS A 51 10.083 4.700 0.785 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.807 4.174 -0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.027 5.730 -1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.800 6.115 1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.524 7.111 -2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.849 7.163 0.232 1.00 0.00 H new ATOM 707 N THR A 52 11.180 3.549 2.790 1.00 0.00 N ATOM 708 CA THR A 52 11.719 2.556 3.700 1.00 0.00 C ATOM 709 C THR A 52 10.570 1.848 4.413 1.00 0.00 C ATOM 710 O THR A 52 10.027 2.366 5.392 1.00 0.00 O ATOM 711 CB THR A 52 12.657 3.201 4.748 1.00 0.00 C ATOM 712 OG1 THR A 52 13.715 3.912 4.090 1.00 0.00 O ATOM 713 CG2 THR A 52 13.255 2.146 5.668 1.00 0.00 C ATOM 0 H THR A 52 10.237 3.858 3.028 1.00 0.00 H new ATOM 0 HA THR A 52 12.301 1.840 3.119 1.00 0.00 H new ATOM 0 HB THR A 52 12.066 3.894 5.347 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.303 4.318 4.761 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.910 2.626 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.454 1.623 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.829 1.432 5.078 1.00 0.00 H new ATOM 721 N PRO A 53 10.149 0.685 3.900 1.00 0.00 N ATOM 722 CA PRO A 53 9.029 -0.066 4.473 1.00 0.00 C ATOM 723 C PRO A 53 9.304 -0.574 5.890 1.00 0.00 C ATOM 724 O PRO A 53 10.442 -0.873 6.254 1.00 0.00 O ATOM 725 CB PRO A 53 8.854 -1.243 3.506 1.00 0.00 C ATOM 726 CG PRO A 53 10.172 -1.381 2.829 1.00 0.00 C ATOM 727 CD PRO A 53 10.715 0.010 2.714 1.00 0.00 C ATOM 0 HA PRO A 53 8.143 0.561 4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.586 -2.155 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.059 -1.048 2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.844 -2.017 3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.062 -1.841 1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.805 0.020 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.401 0.491 1.787 1.00 0.00 H new ATOM 735 N SER A 54 8.237 -0.666 6.670 1.00 0.00 N ATOM 736 CA SER A 54 8.287 -1.156 8.037 1.00 0.00 C ATOM 737 C SER A 54 6.853 -1.405 8.491 1.00 0.00 C ATOM 738 O SER A 54 5.920 -1.059 7.768 1.00 0.00 O ATOM 739 CB SER A 54 8.987 -0.145 8.959 1.00 0.00 C ATOM 740 OG SER A 54 9.190 -0.684 10.258 1.00 0.00 O ATOM 0 H SER A 54 7.301 -0.399 6.366 1.00 0.00 H new ATOM 0 HA SER A 54 8.864 -2.080 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.946 0.140 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.387 0.762 9.029 1.00 0.00 H new ATOM 0 HG SER A 54 9.638 -0.019 10.822 1.00 0.00 H new ATOM 746 N LYS A 55 6.673 -2.006 9.654 1.00 0.00 N ATOM 747 CA LYS A 55 5.340 -2.329 10.151 1.00 0.00 C ATOM 748 C LYS A 55 4.435 -1.097 10.152 1.00 0.00 C ATOM 749 O LYS A 55 4.690 -0.127 10.870 1.00 0.00 O ATOM 750 CB LYS A 55 5.418 -2.897 11.570 1.00 0.00 C ATOM 751 CG LYS A 55 4.059 -3.286 12.133 1.00 0.00 C ATOM 752 CD LYS A 55 4.100 -3.518 13.636 1.00 0.00 C ATOM 753 CE LYS A 55 5.097 -4.597 14.021 1.00 0.00 C ATOM 754 NZ LYS A 55 5.001 -4.941 15.464 1.00 0.00 N ATOM 0 H LYS A 55 7.433 -2.282 10.276 1.00 0.00 H new ATOM 0 HA LYS A 55 4.915 -3.077 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.068 -3.772 11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.878 -2.158 12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.337 -2.501 11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.709 -4.192 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.362 -2.587 14.139 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.107 -3.801 13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.918 -5.489 13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.107 -4.257 13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.696 -5.681 15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.196 -4.095 16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.044 -5.289 15.675 1.00 0.00 H new ATOM 768 N GLY A 56 3.389 -1.137 9.336 1.00 0.00 N ATOM 769 CA GLY A 56 2.443 -0.039 9.292 1.00 0.00 C ATOM 770 C GLY A 56 2.707 0.901 8.138 1.00 0.00 C ATOM 771 O GLY A 56 1.972 1.866 7.928 1.00 0.00 O ATOM 0 H GLY A 56 3.179 -1.910 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.432 -0.437 9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.491 0.517 10.228 1.00 0.00 H new ATOM 775 N ALA A 57 3.767 0.629 7.393 1.00 0.00 N ATOM 776 CA ALA A 57 4.102 1.428 6.226 1.00 0.00 C ATOM 777 C ALA A 57 3.475 0.833 4.977 1.00 0.00 C ATOM 778 O ALA A 57 2.673 -0.099 5.057 1.00 0.00 O ATOM 779 CB ALA A 57 5.605 1.513 6.056 1.00 0.00 C ATOM 0 H ALA A 57 4.411 -0.141 7.577 1.00 0.00 H new ATOM 0 HA ALA A 57 3.706 2.433 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.838 2.115 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.046 1.975 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.014 0.511 5.928 1.00 0.00 H new ATOM 785 N ILE A 58 3.840 1.370 3.822 1.00 0.00 N ATOM 786 CA ILE A 58 3.311 0.885 2.559 1.00 0.00 C ATOM 787 C ILE A 58 4.440 0.689 1.549 1.00 0.00 C ATOM 788 O ILE A 58 5.617 0.783 1.897 1.00 0.00 O ATOM 789 CB ILE A 58 2.271 1.843 1.959 1.00 0.00 C ATOM 790 CG1 ILE A 58 1.650 2.743 3.035 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.188 1.030 1.258 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.608 2.070 3.905 1.00 0.00 C ATOM 0 H ILE A 58 4.501 2.142 3.735 1.00 0.00 H new ATOM 0 HA ILE A 58 2.822 -0.066 2.768 1.00 0.00 H new ATOM 0 HB ILE A 58 2.770 2.492 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.447 3.122 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.194 3.605 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.446 1.705 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.637 0.434 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.705 0.370 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.227 2.784 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.213 1.715 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.059 1.225 4.426 1.00 0.00 H new ATOM 804 N LEU A 59 4.074 0.408 0.313 1.00 0.00 N ATOM 805 CA LEU A 59 5.029 0.223 -0.762 1.00 0.00 C ATOM 806 C LEU A 59 4.566 1.028 -1.968 1.00 0.00 C ATOM 807 O LEU A 59 3.424 1.480 -1.993 1.00 0.00 O ATOM 808 CB LEU A 59 5.109 -1.255 -1.134 1.00 0.00 C ATOM 809 CG LEU A 59 6.415 -1.695 -1.778 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.507 -1.804 -0.723 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.221 -3.008 -2.515 1.00 0.00 C ATOM 0 H LEU A 59 3.101 0.301 0.025 1.00 0.00 H new ATOM 0 HA LEU A 59 6.015 0.561 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.949 -1.848 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.291 -1.485 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 59 6.726 -0.947 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.438 -2.120 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.652 -0.834 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.214 -2.537 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.163 -3.312 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.894 -3.775 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.466 -2.882 -3.291 1.00 0.00 H new ATOM 823 N GLN A 60 5.434 1.204 -2.957 1.00 0.00 N ATOM 824 CA GLN A 60 5.069 1.948 -4.156 1.00 0.00 C ATOM 825 C GLN A 60 5.980 1.622 -5.332 1.00 0.00 C ATOM 826 O GLN A 60 7.200 1.572 -5.196 1.00 0.00 O ATOM 827 CB GLN A 60 5.100 3.456 -3.876 1.00 0.00 C ATOM 828 CG GLN A 60 5.104 4.330 -5.124 1.00 0.00 C ATOM 829 CD GLN A 60 3.828 4.231 -5.947 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.152 3.202 -5.966 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.500 5.301 -6.651 1.00 0.00 N ATOM 0 H GLN A 60 6.389 0.845 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 60 4.057 1.647 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.234 3.718 -3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.987 3.685 -3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.255 5.368 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.951 4.050 -5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.084 6.136 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.663 5.291 -7.234 1.00 0.00 H new ATOM 840 N SER A 61 5.355 1.410 -6.480 1.00 0.00 N ATOM 841 CA SER A 61 6.053 1.273 -7.743 1.00 0.00 C ATOM 842 C SER A 61 5.327 2.122 -8.780 1.00 0.00 C ATOM 843 O SER A 61 4.092 2.165 -8.801 1.00 0.00 O ATOM 844 CB SER A 61 6.109 -0.194 -8.182 1.00 0.00 C ATOM 845 OG SER A 61 6.863 -0.347 -9.374 1.00 0.00 O ATOM 0 H SER A 61 4.341 1.328 -6.559 1.00 0.00 H new ATOM 0 HA SER A 61 7.083 1.615 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.552 -0.796 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.097 -0.568 -8.339 1.00 0.00 H new ATOM 0 HG SER A 61 6.883 -1.293 -9.629 1.00 0.00 H new ATOM 851 N SER A 62 6.084 2.809 -9.622 1.00 0.00 N ATOM 852 CA SER A 62 5.508 3.755 -10.570 1.00 0.00 C ATOM 853 C SER A 62 4.759 3.043 -11.698 1.00 0.00 C ATOM 854 O SER A 62 3.906 3.635 -12.358 1.00 0.00 O ATOM 855 CB SER A 62 6.609 4.642 -11.157 1.00 0.00 C ATOM 856 OG SER A 62 7.369 5.262 -10.129 1.00 0.00 O ATOM 0 H SER A 62 7.100 2.730 -9.669 1.00 0.00 H new ATOM 0 HA SER A 62 4.789 4.370 -10.029 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.266 4.043 -11.788 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.164 5.405 -11.795 1.00 0.00 H new ATOM 0 HG SER A 62 8.067 5.822 -10.530 1.00 0.00 H new ATOM 862 N GLU A 63 5.061 1.769 -11.906 1.00 0.00 N ATOM 863 CA GLU A 63 4.488 1.035 -13.023 1.00 0.00 C ATOM 864 C GLU A 63 3.356 0.114 -12.579 1.00 0.00 C ATOM 865 O GLU A 63 2.967 0.102 -11.410 1.00 0.00 O ATOM 866 CB GLU A 63 5.575 0.245 -13.748 1.00 0.00 C ATOM 867 CG GLU A 63 6.408 -0.640 -12.838 1.00 0.00 C ATOM 868 CD GLU A 63 7.529 -1.319 -13.587 1.00 0.00 C ATOM 869 OE1 GLU A 63 8.605 -0.705 -13.739 1.00 0.00 O ATOM 870 OE2 GLU A 63 7.334 -2.459 -14.054 1.00 0.00 O ATOM 0 H GLU A 63 5.695 1.226 -11.320 1.00 0.00 H new ATOM 0 HA GLU A 63 4.059 1.762 -13.712 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.109 -0.375 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.235 0.943 -14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.823 -0.040 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.768 -1.394 -12.380 1.00 0.00 H new ATOM 877 N GLY A 64 2.826 -0.648 -13.527 1.00 0.00 N ATOM 878 CA GLY A 64 1.697 -1.509 -13.255 1.00 0.00 C ATOM 879 C GLY A 64 0.482 -1.088 -14.055 1.00 0.00 C ATOM 880 O GLY A 64 0.613 -0.359 -15.039 1.00 0.00 O ATOM 0 H GLY A 64 3.164 -0.683 -14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.956 -2.540 -13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.463 -1.481 -12.191 1.00 0.00 H new ATOM 884 N PRO A 65 -0.721 -1.519 -13.664 1.00 0.00 N ATOM 885 CA PRO A 65 -1.952 -1.113 -14.341 1.00 0.00 C ATOM 886 C PRO A 65 -2.348 0.308 -13.959 1.00 0.00 C ATOM 887 O PRO A 65 -2.980 1.027 -14.737 1.00 0.00 O ATOM 888 CB PRO A 65 -2.979 -2.120 -13.829 1.00 0.00 C ATOM 889 CG PRO A 65 -2.485 -2.504 -12.476 1.00 0.00 C ATOM 890 CD PRO A 65 -0.982 -2.435 -12.538 1.00 0.00 C ATOM 0 HA PRO A 65 -1.858 -1.108 -15.427 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.975 -1.680 -13.777 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.047 -2.986 -14.487 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.874 -1.828 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.817 -3.508 -12.211 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.560 -2.056 -11.607 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.543 -3.417 -12.711 1.00 0.00 H new ATOM 898 N PHE A 66 -1.965 0.685 -12.745 1.00 0.00 N ATOM 899 CA PHE A 66 -2.205 2.017 -12.216 1.00 0.00 C ATOM 900 C PHE A 66 -1.394 2.211 -10.942 1.00 0.00 C ATOM 901 O PHE A 66 -1.813 2.915 -10.020 1.00 0.00 O ATOM 902 CB PHE A 66 -3.703 2.248 -11.951 1.00 0.00 C ATOM 903 CG PHE A 66 -4.356 1.204 -11.088 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.899 0.065 -11.652 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.433 1.369 -9.717 1.00 0.00 C ATOM 906 CE1 PHE A 66 -5.508 -0.894 -10.865 1.00 0.00 C ATOM 907 CE2 PHE A 66 -5.039 0.417 -8.923 1.00 0.00 C ATOM 908 CZ PHE A 66 -5.578 -0.718 -9.498 1.00 0.00 C ATOM 0 H PHE A 66 -1.475 0.068 -12.097 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.888 2.751 -12.957 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.829 3.222 -11.478 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.225 2.289 -12.907 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.847 -0.077 -12.721 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.014 2.254 -9.262 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.928 -1.779 -11.319 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.092 0.559 -7.854 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.053 -1.465 -8.879 1.00 0.00 H new ATOM 918 N GLY A 67 -0.217 1.592 -10.911 1.00 0.00 N ATOM 919 CA GLY A 67 0.666 1.713 -9.767 1.00 0.00 C ATOM 920 C GLY A 67 0.730 0.438 -8.952 1.00 0.00 C ATOM 921 O GLY A 67 0.032 -0.531 -9.254 1.00 0.00 O ATOM 0 H GLY A 67 0.142 1.005 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.667 1.973 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.324 2.530 -9.132 1.00 0.00 H new ATOM 925 N HIS A 68 1.555 0.444 -7.912 1.00 0.00 N ATOM 926 CA HIS A 68 1.710 -0.722 -7.052 1.00 0.00 C ATOM 927 C HIS A 68 1.945 -0.297 -5.609 1.00 0.00 C ATOM 928 O HIS A 68 3.078 -0.008 -5.233 1.00 0.00 O ATOM 929 CB HIS A 68 2.905 -1.562 -7.511 1.00 0.00 C ATOM 930 CG HIS A 68 2.996 -2.916 -6.859 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.737 -3.952 -7.380 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.424 -3.402 -5.732 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.616 -5.012 -6.604 1.00 0.00 C ATOM 934 NE2 HIS A 68 2.824 -4.707 -5.594 1.00 0.00 N ATOM 0 H HIS A 68 2.127 1.244 -7.644 1.00 0.00 H new ATOM 0 HA HIS A 68 0.794 -1.309 -7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.848 -1.695 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.822 -1.010 -7.306 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.771 -2.861 -5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.087 -5.970 -6.768 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.554 -5.336 -4.838 1.00 0.00 H new ATOM 943 N VAL A 69 0.897 -0.255 -4.799 1.00 0.00 N ATOM 944 CA VAL A 69 1.080 0.023 -3.388 1.00 0.00 C ATOM 945 C VAL A 69 0.608 -1.145 -2.533 1.00 0.00 C ATOM 946 O VAL A 69 -0.538 -1.586 -2.622 1.00 0.00 O ATOM 947 CB VAL A 69 0.381 1.328 -2.968 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.982 2.495 -3.732 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.122 1.252 -3.197 1.00 0.00 C ATOM 0 H VAL A 69 -0.069 -0.407 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 69 2.149 0.156 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 69 0.539 1.477 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.486 3.419 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.047 2.566 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.845 2.339 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.585 2.190 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.321 1.079 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.538 0.433 -2.611 1.00 0.00 H new ATOM 959 N ALA A 70 1.515 -1.657 -1.722 1.00 0.00 N ATOM 960 CA ALA A 70 1.229 -2.796 -0.871 1.00 0.00 C ATOM 961 C ALA A 70 1.501 -2.444 0.578 1.00 0.00 C ATOM 962 O ALA A 70 2.546 -1.885 0.898 1.00 0.00 O ATOM 963 CB ALA A 70 2.065 -3.991 -1.293 1.00 0.00 C ATOM 0 H ALA A 70 2.465 -1.297 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 70 0.176 -3.058 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.840 -4.839 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.833 -4.251 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.123 -3.742 -1.211 1.00 0.00 H new ATOM 969 N TYR A 71 0.566 -2.767 1.450 1.00 0.00 N ATOM 970 CA TYR A 71 0.697 -2.420 2.851 1.00 0.00 C ATOM 971 C TYR A 71 1.737 -3.305 3.528 1.00 0.00 C ATOM 972 O TYR A 71 1.729 -4.528 3.374 1.00 0.00 O ATOM 973 CB TYR A 71 -0.656 -2.524 3.557 1.00 0.00 C ATOM 974 CG TYR A 71 -0.556 -2.437 5.064 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.482 -1.208 5.705 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.530 -3.587 5.843 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.386 -1.127 7.081 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.434 -3.514 7.221 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.363 -2.280 7.835 1.00 0.00 C ATOM 980 OH TYR A 71 -0.273 -2.201 9.208 1.00 0.00 O ATOM 0 H TYR A 71 -0.291 -3.268 1.214 1.00 0.00 H new ATOM 0 HA TYR A 71 1.037 -1.387 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.307 -1.728 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.127 -3.469 3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.500 -0.301 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.586 -4.554 5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.329 -0.163 7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.415 -4.417 7.813 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.270 -3.104 9.588 1.00 0.00 H new ATOM 990 N VAL A 72 2.628 -2.673 4.275 1.00 0.00 N ATOM 991 CA VAL A 72 3.716 -3.367 4.941 1.00 0.00 C ATOM 992 C VAL A 72 3.303 -3.824 6.332 1.00 0.00 C ATOM 993 O VAL A 72 2.902 -3.009 7.166 1.00 0.00 O ATOM 994 CB VAL A 72 4.948 -2.455 5.076 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.123 -3.234 5.645 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.296 -1.805 3.741 1.00 0.00 C ATOM 0 H VAL A 72 2.617 -1.666 4.436 1.00 0.00 H new ATOM 0 HA VAL A 72 3.964 -4.234 4.329 1.00 0.00 H new ATOM 0 HB VAL A 72 4.711 -1.651 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.987 -2.575 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.860 -3.623 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.366 -4.063 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.170 -1.166 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.514 -2.579 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.453 -1.205 3.398 1.00 0.00 H new ATOM 1006 N GLU A 73 3.415 -5.115 6.591 1.00 0.00 N ATOM 1007 CA GLU A 73 3.086 -5.637 7.904 1.00 0.00 C ATOM 1008 C GLU A 73 4.334 -5.737 8.773 1.00 0.00 C ATOM 1009 O GLU A 73 4.256 -5.581 9.990 1.00 0.00 O ATOM 1010 CB GLU A 73 2.391 -6.998 7.806 1.00 0.00 C ATOM 1011 CG GLU A 73 1.016 -6.933 7.154 1.00 0.00 C ATOM 1012 CD GLU A 73 0.167 -8.148 7.469 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.369 -9.202 6.832 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.711 -8.049 8.359 1.00 0.00 O ATOM 0 H GLU A 73 3.728 -5.814 5.917 1.00 0.00 H new ATOM 0 HA GLU A 73 2.392 -4.939 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.023 -7.679 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.290 -7.418 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.499 -6.035 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.133 -6.846 6.074 1.00 0.00 H new ATOM 1021 N SER A 74 5.484 -5.974 8.148 1.00 0.00 N ATOM 1022 CA SER A 74 6.736 -6.092 8.884 1.00 0.00 C ATOM 1023 C SER A 74 7.920 -6.277 7.945 1.00 0.00 C ATOM 1024 O SER A 74 7.789 -6.869 6.873 1.00 0.00 O ATOM 1025 CB SER A 74 6.668 -7.278 9.852 1.00 0.00 C ATOM 1026 OG SER A 74 6.289 -8.471 9.177 1.00 0.00 O ATOM 0 H SER A 74 5.573 -6.087 7.138 1.00 0.00 H new ATOM 0 HA SER A 74 6.879 -5.166 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.639 -7.419 10.328 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.952 -7.063 10.645 1.00 0.00 H new ATOM 0 HG SER A 74 6.255 -9.212 9.817 1.00 0.00 H new ATOM 1032 N VAL A 75 9.069 -5.751 8.344 1.00 0.00 N ATOM 1033 CA VAL A 75 10.320 -6.050 7.663 1.00 0.00 C ATOM 1034 C VAL A 75 11.025 -7.188 8.400 1.00 0.00 C ATOM 1035 O VAL A 75 11.121 -7.178 9.629 1.00 0.00 O ATOM 1036 CB VAL A 75 11.250 -4.810 7.557 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.566 -4.233 8.930 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.537 -5.157 6.813 1.00 0.00 C ATOM 0 H VAL A 75 9.161 -5.115 9.136 1.00 0.00 H new ATOM 0 HA VAL A 75 10.088 -6.350 6.641 1.00 0.00 H new ATOM 0 HB VAL A 75 10.717 -4.048 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.219 -3.367 8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.640 -3.930 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.066 -4.989 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.172 -4.273 6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.065 -5.946 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.295 -5.500 5.807 1.00 0.00 H new ATOM 1048 N ASN A 76 11.496 -8.175 7.657 1.00 0.00 N ATOM 1049 CA ASN A 76 12.066 -9.372 8.260 1.00 0.00 C ATOM 1050 C ASN A 76 13.540 -9.167 8.574 1.00 0.00 C ATOM 1051 O ASN A 76 14.145 -8.173 8.160 1.00 0.00 O ATOM 1052 CB ASN A 76 11.899 -10.587 7.339 1.00 0.00 C ATOM 1053 CG ASN A 76 10.461 -10.818 6.909 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.517 -10.441 7.604 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.287 -11.454 5.762 1.00 0.00 N ATOM 0 H ASN A 76 11.496 -8.173 6.637 1.00 0.00 H new ATOM 0 HA ASN A 76 11.527 -9.561 9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.519 -10.451 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.266 -11.476 7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.344 -11.648 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.096 -11.750 5.215 1.00 0.00 H new ATOM 1062 N SER A 77 14.118 -10.117 9.295 1.00 0.00 N ATOM 1063 CA SER A 77 15.513 -10.042 9.702 1.00 0.00 C ATOM 1064 C SER A 77 16.466 -10.293 8.533 1.00 0.00 C ATOM 1065 O SER A 77 17.671 -10.078 8.650 1.00 0.00 O ATOM 1066 CB SER A 77 15.766 -11.043 10.828 1.00 0.00 C ATOM 1067 OG SER A 77 15.077 -12.260 10.583 1.00 0.00 O ATOM 0 H SER A 77 13.636 -10.958 9.613 1.00 0.00 H new ATOM 0 HA SER A 77 15.710 -9.031 10.059 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.835 -11.236 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.439 -10.619 11.778 1.00 0.00 H new ATOM 0 HG SER A 77 15.253 -12.888 11.314 1.00 0.00 H new ATOM 1073 N ASP A 78 15.926 -10.740 7.402 1.00 0.00 N ATOM 1074 CA ASP A 78 16.740 -10.983 6.210 1.00 0.00 C ATOM 1075 C ASP A 78 16.850 -9.721 5.367 1.00 0.00 C ATOM 1076 O ASP A 78 17.484 -9.718 4.313 1.00 0.00 O ATOM 1077 CB ASP A 78 16.143 -12.099 5.349 1.00 0.00 C ATOM 1078 CG ASP A 78 16.071 -13.427 6.065 1.00 0.00 C ATOM 1079 OD1 ASP A 78 17.130 -13.954 6.465 1.00 0.00 O ATOM 1080 OD2 ASP A 78 14.952 -13.955 6.225 1.00 0.00 O ATOM 0 H ASP A 78 14.933 -10.941 7.284 1.00 0.00 H new ATOM 0 HA ASP A 78 17.730 -11.285 6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.141 -11.809 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.742 -12.212 4.445 1.00 0.00 H new ATOM 1085 N GLY A 79 16.212 -8.656 5.829 1.00 0.00 N ATOM 1086 CA GLY A 79 16.167 -7.426 5.063 1.00 0.00 C ATOM 1087 C GLY A 79 14.960 -7.394 4.155 1.00 0.00 C ATOM 1088 O GLY A 79 14.525 -6.330 3.713 1.00 0.00 O ATOM 0 H GLY A 79 15.723 -8.621 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.139 -6.573 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.076 -7.331 4.469 1.00 0.00 H new ATOM 1092 N SER A 80 14.425 -8.574 3.882 1.00 0.00 N ATOM 1093 CA SER A 80 13.236 -8.715 3.064 1.00 0.00 C ATOM 1094 C SER A 80 12.011 -8.208 3.818 1.00 0.00 C ATOM 1095 O SER A 80 11.928 -8.335 5.038 1.00 0.00 O ATOM 1096 CB SER A 80 13.055 -10.182 2.670 1.00 0.00 C ATOM 1097 OG SER A 80 14.245 -10.698 2.101 1.00 0.00 O ATOM 0 H SER A 80 14.804 -9.458 4.222 1.00 0.00 H new ATOM 0 HA SER A 80 13.351 -8.117 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.782 -10.768 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.236 -10.274 1.957 1.00 0.00 H new ATOM 0 HG SER A 80 14.110 -11.638 1.857 1.00 0.00 H new ATOM 1103 N VAL A 81 11.074 -7.627 3.094 1.00 0.00 N ATOM 1104 CA VAL A 81 9.904 -7.024 3.708 1.00 0.00 C ATOM 1105 C VAL A 81 8.640 -7.811 3.387 1.00 0.00 C ATOM 1106 O VAL A 81 8.365 -8.122 2.227 1.00 0.00 O ATOM 1107 CB VAL A 81 9.735 -5.566 3.243 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.531 -4.924 3.903 1.00 0.00 C ATOM 1109 CG2 VAL A 81 10.996 -4.771 3.539 1.00 0.00 C ATOM 0 H VAL A 81 11.099 -7.559 2.077 1.00 0.00 H new ATOM 0 HA VAL A 81 10.059 -7.041 4.787 1.00 0.00 H new ATOM 0 HB VAL A 81 9.567 -5.566 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.433 -3.895 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.632 -5.482 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.661 -4.934 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.864 -3.742 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.190 -4.783 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.840 -5.217 3.013 1.00 0.00 H new ATOM 1119 N THR A 82 7.877 -8.129 4.422 1.00 0.00 N ATOM 1120 CA THR A 82 6.622 -8.843 4.264 1.00 0.00 C ATOM 1121 C THR A 82 5.476 -7.851 4.065 1.00 0.00 C ATOM 1122 O THR A 82 5.152 -7.063 4.961 1.00 0.00 O ATOM 1123 CB THR A 82 6.330 -9.736 5.489 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.408 -10.665 5.686 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.024 -10.500 5.311 1.00 0.00 C ATOM 0 H THR A 82 8.109 -7.901 5.389 1.00 0.00 H new ATOM 0 HA THR A 82 6.707 -9.483 3.385 1.00 0.00 H new ATOM 0 HB THR A 82 6.237 -9.092 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.953 -10.377 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.843 -11.121 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.203 -9.794 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.090 -11.133 4.426 1.00 0.00 H new ATOM 1133 N ILE A 83 4.882 -7.878 2.882 1.00 0.00 N ATOM 1134 CA ILE A 83 3.794 -6.969 2.551 1.00 0.00 C ATOM 1135 C ILE A 83 2.538 -7.749 2.192 1.00 0.00 C ATOM 1136 O ILE A 83 2.617 -8.871 1.685 1.00 0.00 O ATOM 1137 CB ILE A 83 4.163 -6.045 1.369 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.566 -6.879 0.148 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.283 -5.095 1.768 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.831 -6.062 -1.097 1.00 0.00 C ATOM 0 H ILE A 83 5.136 -8.522 2.132 1.00 0.00 H new ATOM 0 HA ILE A 83 3.611 -6.355 3.433 1.00 0.00 H new ATOM 0 HB ILE A 83 3.289 -5.450 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.461 -7.451 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.775 -7.599 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.531 -4.451 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.958 -4.483 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.163 -5.670 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.110 -6.726 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.931 -5.510 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.643 -5.360 -0.906 1.00 0.00 H new ATOM 1152 N SER A 84 1.385 -7.157 2.460 1.00 0.00 N ATOM 1153 CA SER A 84 0.121 -7.767 2.103 1.00 0.00 C ATOM 1154 C SER A 84 -0.782 -6.745 1.430 1.00 0.00 C ATOM 1155 O SER A 84 -1.345 -5.856 2.074 1.00 0.00 O ATOM 1156 CB SER A 84 -0.568 -8.383 3.328 1.00 0.00 C ATOM 1157 OG SER A 84 -1.867 -8.845 3.011 1.00 0.00 O ATOM 0 H SER A 84 1.302 -6.253 2.925 1.00 0.00 H new ATOM 0 HA SER A 84 0.320 -8.575 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.032 -9.210 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.628 -7.642 4.125 1.00 0.00 H new ATOM 0 HG SER A 84 -2.280 -9.233 3.810 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.858 -6.848 0.120 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.785 -6.062 -0.669 1.00 0.00 C ATOM 1165 C GLU A 85 -2.892 -6.982 -1.158 1.00 0.00 C ATOM 1166 O GLU A 85 -2.732 -8.200 -1.159 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.059 -5.421 -1.857 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.476 -6.443 -2.816 1.00 0.00 C ATOM 1169 CD GLU A 85 0.383 -5.837 -3.904 1.00 0.00 C ATOM 1170 OE1 GLU A 85 0.015 -4.777 -4.443 1.00 0.00 O ATOM 1171 OE2 GLU A 85 1.429 -6.441 -4.239 1.00 0.00 O ATOM 0 H GLU A 85 -0.277 -7.481 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.208 -5.261 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.754 -4.779 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.258 -4.782 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.121 -7.159 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.291 -7.001 -3.277 1.00 0.00 H new ATOM 1178 N MET A 86 -4.008 -6.423 -1.565 1.00 0.00 N ATOM 1179 CA MET A 86 -5.104 -7.236 -2.055 1.00 0.00 C ATOM 1180 C MET A 86 -5.432 -6.844 -3.477 1.00 0.00 C ATOM 1181 O MET A 86 -5.408 -5.670 -3.809 1.00 0.00 O ATOM 1182 CB MET A 86 -6.329 -7.073 -1.161 1.00 0.00 C ATOM 1183 CG MET A 86 -7.532 -7.869 -1.622 1.00 0.00 C ATOM 1184 SD MET A 86 -8.897 -7.814 -0.449 1.00 0.00 S ATOM 1185 CE MET A 86 -8.255 -8.845 0.869 1.00 0.00 C ATOM 0 H MET A 86 -4.183 -5.418 -1.568 1.00 0.00 H new ATOM 0 HA MET A 86 -4.805 -8.284 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.070 -7.378 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.598 -6.018 -1.118 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.870 -7.484 -2.584 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.237 -8.906 -1.780 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.520 -8.410 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.684 -9.844 0.791 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.170 -8.909 0.785 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.704 -7.835 -4.313 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.029 -7.613 -5.718 1.00 0.00 C ATOM 1197 C ASN A 87 -4.789 -7.206 -6.512 1.00 0.00 C ATOM 1198 O ASN A 87 -4.281 -8.011 -7.294 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.189 -6.604 -5.862 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.017 -5.578 -6.972 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -6.576 -4.453 -6.730 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.355 -5.950 -8.188 1.00 0.00 N ATOM 0 H ASN A 87 -5.706 -8.817 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.376 -8.553 -6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.111 -7.157 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.311 -6.076 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.255 -5.299 -8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.717 -6.889 -8.352 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.279 -5.998 -6.264 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.179 -5.422 -7.045 1.00 0.00 C ATOM 1211 C TYR A 88 -3.557 -5.270 -8.523 1.00 0.00 C ATOM 1212 O TYR A 88 -3.747 -4.156 -9.014 1.00 0.00 O ATOM 1213 CB TYR A 88 -1.892 -6.251 -6.902 1.00 0.00 C ATOM 1214 CG TYR A 88 -0.775 -5.812 -7.830 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -0.446 -4.469 -7.972 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.059 -6.743 -8.577 1.00 0.00 C ATOM 1217 CE1 TYR A 88 0.560 -4.067 -8.827 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.950 -6.346 -9.434 1.00 0.00 C ATOM 1219 CZ TYR A 88 1.255 -5.009 -9.555 1.00 0.00 C ATOM 1220 OH TYR A 88 2.261 -4.607 -10.405 1.00 0.00 O ATOM 0 H TYR A 88 -4.616 -5.391 -5.517 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.989 -4.428 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.542 -6.187 -5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.122 -7.299 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.987 -3.727 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.296 -7.793 -8.485 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.802 -3.019 -8.925 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.497 -7.081 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 88 2.652 -5.392 -10.843 1.00 0.00 H new ATOM 1230 N SER A 89 -3.652 -6.389 -9.226 1.00 0.00 N ATOM 1231 CA SER A 89 -3.944 -6.390 -10.648 1.00 0.00 C ATOM 1232 C SER A 89 -4.645 -7.684 -11.048 1.00 0.00 C ATOM 1233 O SER A 89 -4.365 -8.750 -10.492 1.00 0.00 O ATOM 1234 CB SER A 89 -2.647 -6.238 -11.447 1.00 0.00 C ATOM 1235 OG SER A 89 -1.907 -5.114 -11.003 1.00 0.00 O ATOM 0 H SER A 89 -3.529 -7.319 -8.826 1.00 0.00 H new ATOM 0 HA SER A 89 -4.604 -5.551 -10.867 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.043 -7.140 -11.343 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.879 -6.130 -12.507 1.00 0.00 H new ATOM 0 HG SER A 89 -1.383 -5.359 -10.212 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.569 -7.583 -11.991 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.216 -8.762 -12.522 1.00 0.00 C ATOM 1243 C GLY A 90 -7.582 -9.003 -11.917 1.00 0.00 C ATOM 1244 O GLY A 90 -8.604 -8.738 -12.551 1.00 0.00 O ATOM 0 H GLY A 90 -5.883 -6.702 -12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.315 -8.661 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.584 -9.631 -12.339 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.603 -9.501 -10.690 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.858 -9.815 -10.042 1.00 0.00 C ATOM 1250 C GLY A 91 -8.979 -9.161 -8.683 1.00 0.00 C ATOM 1251 O GLY A 91 -7.982 -8.698 -8.129 1.00 0.00 O ATOM 0 H GLY A 91 -6.772 -9.693 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.683 -9.489 -10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.948 -10.896 -9.933 1.00 0.00 H new ATOM 1255 N PRO A 92 -10.192 -9.078 -8.130 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.422 -8.532 -6.801 1.00 0.00 C ATOM 1257 C PRO A 92 -10.151 -9.557 -5.703 1.00 0.00 C ATOM 1258 O PRO A 92 -10.415 -10.748 -5.873 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.910 -8.146 -6.812 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.427 -8.507 -8.173 1.00 0.00 C ATOM 1261 CD PRO A 92 -11.450 -9.486 -8.757 1.00 0.00 C ATOM 0 HA PRO A 92 -9.757 -7.695 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.456 -8.680 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.037 -7.081 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.422 -8.946 -8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.512 -7.621 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.711 -10.516 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.405 -9.417 -9.844 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.612 -9.077 -4.586 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.377 -9.887 -3.386 1.00 0.00 C ATOM 1271 C PHE A 93 -8.218 -10.869 -3.527 1.00 0.00 C ATOM 1272 O PHE A 93 -7.948 -11.627 -2.596 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.625 -10.651 -2.944 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.733 -9.779 -2.428 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.799 -9.444 -1.086 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.713 -9.302 -3.283 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.819 -8.647 -0.606 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.737 -8.505 -2.808 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.791 -8.178 -1.467 1.00 0.00 C ATOM 0 H PHE A 93 -9.322 -8.105 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.110 -9.159 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.999 -11.232 -3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.345 -11.361 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -11.044 -9.811 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.676 -9.556 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.857 -8.391 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.495 -8.138 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.592 -7.557 -1.093 1.00 0.00 H new ATOM 1289 N SER A 94 -7.526 -10.871 -4.657 1.00 0.00 N ATOM 1290 CA SER A 94 -6.323 -11.684 -4.779 1.00 0.00 C ATOM 1291 C SER A 94 -5.223 -11.095 -3.913 1.00 0.00 C ATOM 1292 O SER A 94 -4.473 -10.229 -4.362 1.00 0.00 O ATOM 1293 CB SER A 94 -5.854 -11.771 -6.231 1.00 0.00 C ATOM 1294 OG SER A 94 -6.016 -10.527 -6.893 1.00 0.00 O ATOM 0 H SER A 94 -7.769 -10.331 -5.487 1.00 0.00 H new ATOM 0 HA SER A 94 -6.557 -12.694 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.806 -12.069 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.420 -12.542 -6.754 1.00 0.00 H new ATOM 0 HG SER A 94 -5.165 -10.041 -6.888 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.162 -11.519 -2.657 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.187 -10.970 -1.732 1.00 0.00 C ATOM 1302 C VAL A 95 -2.783 -11.252 -2.255 1.00 0.00 C ATOM 1303 O VAL A 95 -2.292 -12.379 -2.168 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.319 -11.543 -0.301 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -3.644 -10.623 0.704 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -5.778 -11.770 0.065 1.00 0.00 C ATOM 0 H VAL A 95 -5.771 -12.235 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.375 -9.898 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.816 -12.510 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.746 -11.041 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.587 -10.527 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.115 -9.640 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.841 -12.173 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.317 -10.824 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.223 -12.476 -0.636 1.00 0.00 H new ATOM 1316 N SER A 96 -2.167 -10.239 -2.838 1.00 0.00 N ATOM 1317 CA SER A 96 -0.856 -10.378 -3.432 1.00 0.00 C ATOM 1318 C SER A 96 0.202 -10.441 -2.341 1.00 0.00 C ATOM 1319 O SER A 96 0.738 -9.424 -1.901 1.00 0.00 O ATOM 1320 CB SER A 96 -0.596 -9.226 -4.411 1.00 0.00 C ATOM 1321 OG SER A 96 0.742 -9.213 -4.881 1.00 0.00 O ATOM 0 H SER A 96 -2.562 -9.302 -2.911 1.00 0.00 H new ATOM 0 HA SER A 96 -0.808 -11.308 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.276 -9.311 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.816 -8.278 -3.920 1.00 0.00 H new ATOM 0 HG SER A 96 1.131 -8.325 -4.737 1.00 0.00 H new ATOM 1327 N SER A 97 0.443 -11.649 -1.866 1.00 0.00 N ATOM 1328 CA SER A 97 1.442 -11.880 -0.835 1.00 0.00 C ATOM 1329 C SER A 97 2.842 -11.882 -1.441 1.00 0.00 C ATOM 1330 O SER A 97 3.240 -12.843 -2.104 1.00 0.00 O ATOM 1331 CB SER A 97 1.166 -13.206 -0.126 1.00 0.00 C ATOM 1332 OG SER A 97 -0.164 -13.253 0.367 1.00 0.00 O ATOM 0 H SER A 97 -0.041 -12.490 -2.179 1.00 0.00 H new ATOM 0 HA SER A 97 1.385 -11.073 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.331 -14.033 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.868 -13.335 0.698 1.00 0.00 H new ATOM 0 HG SER A 97 -0.317 -14.111 0.815 1.00 0.00 H new ATOM 1338 N ARG A 98 3.576 -10.797 -1.227 1.00 0.00 N ATOM 1339 CA ARG A 98 4.926 -10.675 -1.753 1.00 0.00 C ATOM 1340 C ARG A 98 5.921 -10.408 -0.634 1.00 0.00 C ATOM 1341 O ARG A 98 5.555 -9.942 0.448 1.00 0.00 O ATOM 1342 CB ARG A 98 5.020 -9.547 -2.788 1.00 0.00 C ATOM 1343 CG ARG A 98 4.241 -9.806 -4.067 1.00 0.00 C ATOM 1344 CD ARG A 98 4.524 -8.736 -5.114 1.00 0.00 C ATOM 1345 NE ARG A 98 3.756 -8.954 -6.341 1.00 0.00 N ATOM 1346 CZ ARG A 98 4.161 -8.598 -7.564 1.00 0.00 C ATOM 1347 NH1 ARG A 98 5.352 -8.033 -7.748 1.00 0.00 N ATOM 1348 NH2 ARG A 98 3.370 -8.821 -8.608 1.00 0.00 N ATOM 0 H ARG A 98 3.257 -9.989 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 98 5.170 -11.621 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.657 -8.624 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.068 -9.388 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.506 -10.786 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.174 -9.829 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.283 -7.755 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.588 -8.730 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 98 2.847 -9.410 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.967 -7.867 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.650 -7.766 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.460 -9.261 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.673 -8.552 -9.544 1.00 0.00 H new ATOM 1362 N THR A 99 7.173 -10.723 -0.897 1.00 0.00 N ATOM 1363 CA THR A 99 8.249 -10.420 0.021 1.00 0.00 C ATOM 1364 C THR A 99 9.310 -9.592 -0.702 1.00 0.00 C ATOM 1365 O THR A 99 10.004 -10.090 -1.592 1.00 0.00 O ATOM 1366 CB THR A 99 8.865 -11.711 0.593 1.00 0.00 C ATOM 1367 OG1 THR A 99 7.816 -12.563 1.078 1.00 0.00 O ATOM 1368 CG2 THR A 99 9.834 -11.404 1.726 1.00 0.00 C ATOM 0 H THR A 99 7.471 -11.195 -1.751 1.00 0.00 H new ATOM 0 HA THR A 99 7.851 -9.846 0.858 1.00 0.00 H new ATOM 0 HB THR A 99 9.418 -12.211 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.205 -13.386 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.252 -12.335 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.639 -10.770 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.305 -10.887 2.527 1.00 0.00 H new ATOM 1376 N ILE A 100 9.399 -8.321 -0.338 1.00 0.00 N ATOM 1377 CA ILE A 100 10.269 -7.375 -1.028 1.00 0.00 C ATOM 1378 C ILE A 100 11.727 -7.599 -0.667 1.00 0.00 C ATOM 1379 O ILE A 100 12.074 -7.668 0.510 1.00 0.00 O ATOM 1380 CB ILE A 100 9.891 -5.915 -0.689 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.449 -5.624 -1.097 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.839 -4.938 -1.371 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.173 -5.879 -2.565 1.00 0.00 C ATOM 0 H ILE A 100 8.875 -7.917 0.438 1.00 0.00 H new ATOM 0 HA ILE A 100 10.132 -7.546 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 100 9.980 -5.785 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.779 -6.240 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.218 -4.584 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.553 -3.917 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.858 -5.124 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.785 -5.073 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.130 -5.651 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.818 -5.244 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.372 -6.925 -2.796 1.00 0.00 H new ATOM 1395 N SER A 101 12.570 -7.715 -1.679 1.00 0.00 N ATOM 1396 CA SER A 101 14.002 -7.811 -1.471 1.00 0.00 C ATOM 1397 C SER A 101 14.542 -6.457 -1.021 1.00 0.00 C ATOM 1398 O SER A 101 14.136 -5.421 -1.552 1.00 0.00 O ATOM 1399 CB SER A 101 14.678 -8.249 -2.769 1.00 0.00 C ATOM 1400 OG SER A 101 14.067 -9.417 -3.288 1.00 0.00 O ATOM 0 H SER A 101 12.284 -7.745 -2.658 1.00 0.00 H new ATOM 0 HA SER A 101 14.213 -8.550 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.619 -7.446 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.736 -8.437 -2.587 1.00 0.00 H new ATOM 0 HG SER A 101 14.515 -9.678 -4.120 1.00 0.00 H new ATOM 1406 N ALA A 102 15.447 -6.472 -0.045 1.00 0.00 N ATOM 1407 CA ALA A 102 16.009 -5.243 0.521 1.00 0.00 C ATOM 1408 C ALA A 102 16.523 -4.295 -0.563 1.00 0.00 C ATOM 1409 O ALA A 102 16.413 -3.071 -0.433 1.00 0.00 O ATOM 1410 CB ALA A 102 17.128 -5.576 1.495 1.00 0.00 C ATOM 0 H ALA A 102 15.811 -7.328 0.375 1.00 0.00 H new ATOM 0 HA ALA A 102 15.206 -4.732 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.537 -4.654 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.735 -6.193 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.915 -6.120 0.973 1.00 0.00 H new ATOM 1416 N SER A 103 17.074 -4.868 -1.629 1.00 0.00 N ATOM 1417 CA SER A 103 17.588 -4.093 -2.753 1.00 0.00 C ATOM 1418 C SER A 103 16.525 -3.134 -3.298 1.00 0.00 C ATOM 1419 O SER A 103 16.797 -1.959 -3.540 1.00 0.00 O ATOM 1420 CB SER A 103 18.049 -5.047 -3.855 1.00 0.00 C ATOM 1421 OG SER A 103 18.871 -6.069 -3.319 1.00 0.00 O ATOM 0 H SER A 103 17.176 -5.877 -1.738 1.00 0.00 H new ATOM 0 HA SER A 103 18.430 -3.494 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.182 -5.490 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.598 -4.493 -4.616 1.00 0.00 H new ATOM 0 HG SER A 103 19.155 -6.671 -4.038 1.00 0.00 H new ATOM 1427 N GLU A 104 15.308 -3.633 -3.464 1.00 0.00 N ATOM 1428 CA GLU A 104 14.225 -2.815 -3.986 1.00 0.00 C ATOM 1429 C GLU A 104 13.434 -2.169 -2.858 1.00 0.00 C ATOM 1430 O GLU A 104 12.676 -1.227 -3.084 1.00 0.00 O ATOM 1431 CB GLU A 104 13.299 -3.643 -4.877 1.00 0.00 C ATOM 1432 CG GLU A 104 13.911 -3.982 -6.224 1.00 0.00 C ATOM 1433 CD GLU A 104 12.903 -4.554 -7.196 1.00 0.00 C ATOM 1434 OE1 GLU A 104 12.222 -3.762 -7.880 1.00 0.00 O ATOM 1435 OE2 GLU A 104 12.788 -5.794 -7.283 1.00 0.00 O ATOM 0 H GLU A 104 15.048 -4.595 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 104 14.669 -2.023 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.039 -4.567 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.371 -3.094 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.354 -3.084 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.719 -4.699 -6.081 1.00 0.00 H new ATOM 1442 N ALA A 105 13.620 -2.666 -1.641 1.00 0.00 N ATOM 1443 CA ALA A 105 12.966 -2.088 -0.473 1.00 0.00 C ATOM 1444 C ALA A 105 13.464 -0.669 -0.237 1.00 0.00 C ATOM 1445 O ALA A 105 12.709 0.205 0.182 1.00 0.00 O ATOM 1446 CB ALA A 105 13.207 -2.948 0.759 1.00 0.00 C ATOM 0 H ALA A 105 14.218 -3.467 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 105 11.893 -2.054 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.710 -2.499 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.806 -3.947 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.278 -3.015 0.952 1.00 0.00 H new ATOM 1452 N GLY A 106 14.743 -0.449 -0.520 1.00 0.00 N ATOM 1453 CA GLY A 106 15.310 0.883 -0.404 1.00 0.00 C ATOM 1454 C GLY A 106 14.877 1.800 -1.535 1.00 0.00 C ATOM 1455 O GLY A 106 15.092 3.012 -1.478 1.00 0.00 O ATOM 0 H GLY A 106 15.398 -1.168 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.011 1.320 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.398 0.812 -0.394 1.00 0.00 H new ATOM 1459 N ASN A 107 14.267 1.216 -2.561 1.00 0.00 N ATOM 1460 CA ASN A 107 13.795 1.975 -3.716 1.00 0.00 C ATOM 1461 C ASN A 107 12.340 2.380 -3.533 1.00 0.00 C ATOM 1462 O ASN A 107 11.988 3.551 -3.674 1.00 0.00 O ATOM 1463 CB ASN A 107 13.921 1.143 -5.000 1.00 0.00 C ATOM 1464 CG ASN A 107 13.379 1.872 -6.225 1.00 0.00 C ATOM 1465 OD1 ASN A 107 14.125 2.535 -6.949 1.00 0.00 O ATOM 1466 ND2 ASN A 107 12.077 1.756 -6.464 1.00 0.00 N ATOM 0 H ASN A 107 14.087 0.214 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 107 14.414 2.868 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.969 0.892 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.384 0.203 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.663 2.225 -7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.492 1.198 -5.842 1.00 0.00 H new ATOM 1473 N TYR A 108 11.504 1.394 -3.219 1.00 0.00 N ATOM 1474 CA TYR A 108 10.062 1.590 -3.155 1.00 0.00 C ATOM 1475 C TYR A 108 9.674 2.644 -2.131 1.00 0.00 C ATOM 1476 O TYR A 108 10.111 2.602 -0.979 1.00 0.00 O ATOM 1477 CB TYR A 108 9.357 0.278 -2.827 1.00 0.00 C ATOM 1478 CG TYR A 108 9.484 -0.775 -3.904 1.00 0.00 C ATOM 1479 CD1 TYR A 108 9.416 -0.439 -5.250 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.662 -2.108 -3.569 1.00 0.00 C ATOM 1481 CE1 TYR A 108 9.523 -1.405 -6.232 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.768 -3.079 -4.542 1.00 0.00 C ATOM 1483 CZ TYR A 108 9.697 -2.725 -5.871 1.00 0.00 C ATOM 1484 OH TYR A 108 9.797 -3.694 -6.842 1.00 0.00 O ATOM 0 H TYR A 108 11.806 0.444 -3.003 1.00 0.00 H new ATOM 0 HA TYR A 108 9.745 1.940 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.764 -0.118 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.300 0.479 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 108 9.277 0.594 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.719 -2.391 -2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.471 -1.129 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.906 -4.113 -4.263 1.00 0.00 H new ATOM 0 HH TYR A 108 10.591 -3.526 -7.391 1.00 0.00 H new ATOM 1494 N ASN A 109 8.837 3.572 -2.563 1.00 0.00 N ATOM 1495 CA ASN A 109 8.381 4.662 -1.713 1.00 0.00 C ATOM 1496 C ASN A 109 7.291 4.184 -0.772 1.00 0.00 C ATOM 1497 O ASN A 109 6.648 3.167 -1.014 1.00 0.00 O ATOM 1498 CB ASN A 109 7.847 5.829 -2.557 1.00 0.00 C ATOM 1499 CG ASN A 109 8.945 6.623 -3.239 1.00 0.00 C ATOM 1500 OD1 ASN A 109 10.048 6.761 -2.718 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.646 7.158 -4.413 1.00 0.00 N ATOM 0 H ASN A 109 8.455 3.593 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 109 9.235 5.007 -1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.165 5.440 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.268 6.496 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.343 7.707 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.718 7.021 -4.814 1.00 0.00 H new ATOM 1508 N TYR A 110 7.090 4.922 0.302 1.00 0.00 N ATOM 1509 CA TYR A 110 6.003 4.648 1.220 1.00 0.00 C ATOM 1510 C TYR A 110 5.559 5.950 1.854 1.00 0.00 C ATOM 1511 O TYR A 110 6.322 6.919 1.894 1.00 0.00 O ATOM 1512 CB TYR A 110 6.422 3.642 2.294 1.00 0.00 C ATOM 1513 CG TYR A 110 7.194 4.239 3.444 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.448 4.785 3.256 1.00 0.00 C ATOM 1515 CD2 TYR A 110 6.656 4.262 4.719 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.152 5.336 4.306 1.00 0.00 C ATOM 1517 CE2 TYR A 110 7.351 4.811 5.777 1.00 0.00 C ATOM 1518 CZ TYR A 110 8.601 5.350 5.562 1.00 0.00 C ATOM 1519 OH TYR A 110 9.298 5.910 6.602 1.00 0.00 O ATOM 0 H TYR A 110 7.669 5.721 0.561 1.00 0.00 H new ATOM 0 HA TYR A 110 5.174 4.205 0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.529 3.156 2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.030 2.866 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.886 4.781 2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.675 3.843 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.134 5.755 4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 110 6.918 4.818 6.767 1.00 0.00 H new ATOM 0 HH TYR A 110 8.770 5.841 7.425 1.00 0.00 H new ATOM 1529 N ILE A 111 4.345 5.980 2.362 1.00 0.00 N ATOM 1530 CA ILE A 111 3.791 7.211 2.872 1.00 0.00 C ATOM 1531 C ILE A 111 3.299 7.015 4.295 1.00 0.00 C ATOM 1532 O ILE A 111 2.626 6.032 4.602 1.00 0.00 O ATOM 1533 CB ILE A 111 2.640 7.728 1.975 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.453 6.766 2.002 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.132 7.906 0.543 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.248 7.261 1.232 1.00 0.00 C ATOM 0 H ILE A 111 3.728 5.171 2.432 1.00 0.00 H new ATOM 0 HA ILE A 111 4.582 7.961 2.867 1.00 0.00 H new ATOM 0 HB ILE A 111 2.311 8.691 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.766 5.806 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.163 6.590 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.315 8.270 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.950 8.626 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.484 6.949 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.553 6.525 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.092 8.206 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.520 7.410 0.187 1.00 0.00 H new ATOM 1548 N HIS A 112 3.677 7.924 5.174 1.00 0.00 N ATOM 1549 CA HIS A 112 3.199 7.888 6.546 1.00 0.00 C ATOM 1550 C HIS A 112 2.911 9.306 7.018 1.00 0.00 C ATOM 1551 O HIS A 112 3.677 10.216 6.725 1.00 0.00 O ATOM 1552 CB HIS A 112 4.212 7.182 7.468 1.00 0.00 C ATOM 1553 CG HIS A 112 5.540 7.872 7.602 1.00 0.00 C ATOM 1554 ND1 HIS A 112 5.856 8.666 8.679 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.646 7.861 6.810 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.086 9.115 8.551 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.591 8.644 7.426 1.00 0.00 N ATOM 0 H HIS A 112 4.312 8.695 4.965 1.00 0.00 H new ATOM 0 HA HIS A 112 2.275 7.311 6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.770 7.083 8.459 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.381 6.173 7.092 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.232 8.875 9.458 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.759 7.335 5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.597 9.761 9.250 1.00 0.00 H new ATOM 1566 N ILE A 113 1.799 9.489 7.719 1.00 0.00 N ATOM 1567 CA ILE A 113 1.377 10.803 8.167 1.00 0.00 C ATOM 1568 C ILE A 113 2.410 11.432 9.100 1.00 0.00 C ATOM 1569 O ILE A 113 3.194 12.287 8.634 1.00 0.00 O ATOM 1570 CB ILE A 113 0.008 10.724 8.868 1.00 0.00 C ATOM 1571 CG1 ILE A 113 -0.047 9.531 9.833 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -1.113 10.634 7.840 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.326 9.457 10.641 1.00 0.00 C ATOM 1574 OXT ILE A 113 2.458 11.051 10.285 1.00 0.00 O ATOM 0 H ILE A 113 1.170 8.733 7.990 1.00 0.00 H new ATOM 0 HA ILE A 113 1.286 11.438 7.285 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.128 11.635 9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.065 8.609 9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.800 9.589 10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.073 10.579 8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -1.093 11.517 7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.976 9.742 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.291 8.589 11.299 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.431 10.362 11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.178 9.367 9.967 1.00 0.00 H new TER 1586 ILE A 113