USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 760 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 35 GLN : amide:sc= -0.074 K(o=-0.074,f=-0.58) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 71 SER OG : rot -31:sc= 0.159 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 31 SER OG : rot 102:sc= 1.17 USER MOD Set 3.2: A 32 ASN :FLIP amide:sc= -2.13! C(o=-5.1!,f=-0.96!) USER MOD Set 4.1: A 6 GLN : amide:sc= -6.97! C(o=-7!,f=-8.3!) USER MOD Set 4.2: A 106 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 3 MET CE :methyl -128:sc= -0.0699 (180deg=-0.604) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0.0132 K(o=0.013,f=-4.1!) USER MOD Single : A 9 SER OG : rot -25:sc= 0.177 USER MOD Single : A 11 SER OG : rot 2:sc= 0.474 USER MOD Single : A 13 SER OG : rot -62:sc= 0.0414 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -41:sc= 0.822 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -21:sc= 0.886 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.79! C(o=-3.8!,f=-9.6!) USER MOD Single : A 39 GLN : amide:sc= -2.56! C(o=-2.6!,f=-2.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 46 THR OG1 : rot -140:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -4.48! C(o=-4.5!,f=-5!) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0852 F(o=-1.2!,f=-0.085) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0652 K(o=-0.065,f=-0.64) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00045 USER MOD Single : A 89 TYR OH : rot 167:sc= -0.835 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00878 X(o=-0.0088,f=-0.14) USER MOD Single : A 93 SER OG : rot 180:sc= -0.556 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -98:sc= 1.12 USER MOD Single : A 98 ASN : amide:sc=-0.00339 X(o=-0.0034,f=-0.47) USER MOD Single : A 99 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.16) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 73.784 6.064 -11.877 1.00 0.00 N ATOM 38 CA MET A 3 74.949 5.214 -11.656 1.00 0.00 C ATOM 39 C MET A 3 75.825 5.803 -10.554 1.00 0.00 C ATOM 40 O MET A 3 75.641 6.953 -10.156 1.00 0.00 O ATOM 41 CB MET A 3 75.743 5.083 -12.963 1.00 0.00 C ATOM 42 CG MET A 3 75.391 3.778 -13.684 1.00 0.00 C ATOM 43 SD MET A 3 76.420 3.597 -15.162 1.00 0.00 S ATOM 44 CE MET A 3 75.618 4.866 -16.174 1.00 0.00 C ATOM 0 HA MET A 3 74.621 4.224 -11.341 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.527 5.932 -13.612 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.811 5.109 -12.749 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.545 2.930 -13.017 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.337 3.778 -13.961 1.00 0.00 H new ATOM 0 HE1 MET A 3 75.344 4.442 -17.140 1.00 0.00 H new ATOM 0 HE2 MET A 3 74.721 5.223 -15.667 1.00 0.00 H new ATOM 0 HE3 MET A 3 76.305 5.699 -16.325 1.00 0.00 H new ATOM 54 N LEU A 4 76.842 5.050 -10.141 1.00 0.00 N ATOM 55 CA LEU A 4 77.795 5.506 -9.136 1.00 0.00 C ATOM 56 C LEU A 4 79.207 5.490 -9.711 1.00 0.00 C ATOM 57 O LEU A 4 79.554 4.627 -10.517 1.00 0.00 O ATOM 58 CB LEU A 4 77.734 4.558 -7.935 1.00 0.00 C ATOM 59 CG LEU A 4 76.391 4.715 -7.207 1.00 0.00 C ATOM 60 CD1 LEU A 4 76.076 3.500 -6.319 1.00 0.00 C ATOM 61 CD2 LEU A 4 76.376 6.012 -6.384 1.00 0.00 C ATOM 0 H LEU A 4 77.027 4.111 -10.493 1.00 0.00 H new ATOM 0 HA LEU A 4 77.544 6.522 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.858 3.528 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.555 4.772 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 4 75.609 4.772 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 4 75.118 3.651 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 4 76.028 2.602 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.859 3.384 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 4 75.417 6.108 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 4 77.178 5.984 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.522 6.865 -7.047 1.00 0.00 H new ATOM 73 N THR A 5 80.022 6.445 -9.278 1.00 0.00 N ATOM 74 CA THR A 5 81.410 6.531 -9.722 1.00 0.00 C ATOM 75 C THR A 5 82.350 6.182 -8.573 1.00 0.00 C ATOM 76 O THR A 5 82.476 6.938 -7.609 1.00 0.00 O ATOM 77 CB THR A 5 81.699 7.944 -10.235 1.00 0.00 C ATOM 78 OG1 THR A 5 81.019 8.144 -11.465 1.00 0.00 O ATOM 79 CG2 THR A 5 83.202 8.138 -10.452 1.00 0.00 C ATOM 0 H THR A 5 79.746 7.172 -8.619 1.00 0.00 H new ATOM 0 HA THR A 5 81.573 5.819 -10.531 1.00 0.00 H new ATOM 0 HB THR A 5 81.354 8.665 -9.494 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.200 9.049 -11.796 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.390 9.148 -10.817 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.728 7.989 -9.509 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.560 7.415 -11.185 1.00 0.00 H new ATOM 87 N GLN A 6 83.071 5.073 -8.724 1.00 0.00 N ATOM 88 CA GLN A 6 84.003 4.612 -7.697 1.00 0.00 C ATOM 89 C GLN A 6 85.342 4.264 -8.345 1.00 0.00 C ATOM 90 O GLN A 6 85.366 3.779 -9.476 1.00 0.00 O ATOM 91 CB GLN A 6 83.433 3.396 -6.954 1.00 0.00 C ATOM 92 CG GLN A 6 81.910 3.354 -7.098 1.00 0.00 C ATOM 93 CD GLN A 6 81.350 2.139 -6.367 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.309 1.610 -6.753 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.985 1.660 -5.332 1.00 0.00 N ATOM 0 H GLN A 6 83.027 4.476 -9.550 1.00 0.00 H new ATOM 0 HA GLN A 6 84.153 5.410 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.869 2.480 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.705 3.445 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.473 4.266 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.637 3.312 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.848 2.101 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.618 0.845 -4.841 1.00 0.00 H new ATOM 104 N PRO A 7 86.418 4.305 -7.604 1.00 0.00 N ATOM 105 CA PRO A 7 87.760 3.984 -8.164 1.00 0.00 C ATOM 106 C PRO A 7 87.782 2.575 -8.749 1.00 0.00 C ATOM 107 O PRO A 7 87.074 1.687 -8.273 1.00 0.00 O ATOM 108 CB PRO A 7 88.731 4.119 -6.982 1.00 0.00 C ATOM 109 CG PRO A 7 87.934 4.562 -5.795 1.00 0.00 C ATOM 110 CD PRO A 7 86.525 4.924 -6.274 1.00 0.00 C ATOM 0 HA PRO A 7 88.033 4.650 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.224 3.168 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.514 4.842 -7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.890 3.769 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.406 5.421 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.764 4.540 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.389 6.004 -6.327 1.00 0.00 H new ATOM 118 N HIS A 8 88.606 2.378 -9.772 1.00 0.00 N ATOM 119 CA HIS A 8 88.724 1.065 -10.397 1.00 0.00 C ATOM 120 C HIS A 8 89.341 0.079 -9.410 1.00 0.00 C ATOM 121 O HIS A 8 88.965 -1.093 -9.383 1.00 0.00 O ATOM 122 CB HIS A 8 89.551 1.152 -11.689 1.00 0.00 C ATOM 123 CG HIS A 8 90.310 2.451 -11.738 1.00 0.00 C ATOM 124 ND1 HIS A 8 89.668 3.675 -11.824 1.00 0.00 N ATOM 125 CD2 HIS A 8 91.653 2.734 -11.693 1.00 0.00 C ATOM 126 CE1 HIS A 8 90.613 4.629 -11.849 1.00 0.00 C ATOM 127 NE2 HIS A 8 91.841 4.112 -11.775 1.00 0.00 N ATOM 0 H HIS A 8 89.196 3.101 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 8 87.730 0.707 -10.667 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.247 0.314 -11.740 1.00 0.00 H new ATOM 0 HB3 HIS A 8 88.894 1.074 -12.555 1.00 0.00 H new ATOM 0 HD2 HIS A 8 92.442 2.001 -11.607 1.00 0.00 H new ATOM 0 HE1 HIS A 8 90.404 5.686 -11.920 1.00 0.00 H new ATOM 0 HE2 HIS A 8 92.727 4.617 -11.778 1.00 0.00 H new ATOM 135 N SER A 9 90.337 0.536 -8.658 1.00 0.00 N ATOM 136 CA SER A 9 91.004 -0.330 -7.693 1.00 0.00 C ATOM 137 C SER A 9 91.864 0.496 -6.743 1.00 0.00 C ATOM 138 O SER A 9 92.291 1.602 -7.074 1.00 0.00 O ATOM 139 CB SER A 9 91.884 -1.349 -8.419 1.00 0.00 C ATOM 140 OG SER A 9 91.108 -2.052 -9.377 1.00 0.00 O ATOM 0 H SER A 9 90.697 1.490 -8.697 1.00 0.00 H new ATOM 0 HA SER A 9 90.241 -0.855 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.715 -0.842 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.316 -2.048 -7.702 1.00 0.00 H new ATOM 0 HG SER A 9 90.165 -2.033 -9.112 1.00 0.00 H new ATOM 146 N VAL A 10 92.108 -0.052 -5.558 1.00 0.00 N ATOM 147 CA VAL A 10 92.914 0.632 -4.555 1.00 0.00 C ATOM 148 C VAL A 10 93.352 -0.356 -3.482 1.00 0.00 C ATOM 149 O VAL A 10 92.679 -1.360 -3.242 1.00 0.00 O ATOM 150 CB VAL A 10 92.110 1.763 -3.909 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.811 1.210 -3.315 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.951 2.417 -2.809 1.00 0.00 C ATOM 0 H VAL A 10 91.760 -0.966 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 10 93.793 1.054 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 10 91.860 2.507 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.246 2.022 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.215 0.753 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.047 0.461 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.382 3.223 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.205 1.673 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.866 2.821 -3.242 1.00 0.00 H new ATOM 162 N SER A 11 94.450 -0.044 -2.800 1.00 0.00 N ATOM 163 CA SER A 11 94.973 -0.934 -1.769 1.00 0.00 C ATOM 164 C SER A 11 95.389 -0.151 -0.529 1.00 0.00 C ATOM 165 O SER A 11 95.560 1.068 -0.573 1.00 0.00 O ATOM 166 CB SER A 11 96.173 -1.714 -2.310 1.00 0.00 C ATOM 167 OG SER A 11 96.407 -2.856 -1.500 1.00 0.00 O ATOM 0 H SER A 11 94.990 0.810 -2.940 1.00 0.00 H new ATOM 0 HA SER A 11 94.182 -1.629 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.986 -2.019 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.058 -1.077 -2.321 1.00 0.00 H new ATOM 0 HG SER A 11 95.732 -2.898 -0.791 1.00 0.00 H new ATOM 173 N GLU A 12 95.488 -0.859 0.591 1.00 0.00 N ATOM 174 CA GLU A 12 95.834 -0.232 1.860 1.00 0.00 C ATOM 175 C GLU A 12 96.443 -1.267 2.801 1.00 0.00 C ATOM 176 O GLU A 12 95.999 -2.414 2.848 1.00 0.00 O ATOM 177 CB GLU A 12 94.576 0.380 2.481 1.00 0.00 C ATOM 178 CG GLU A 12 94.912 1.091 3.795 1.00 0.00 C ATOM 179 CD GLU A 12 95.733 2.344 3.508 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.528 2.929 2.457 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.489 2.745 4.377 1.00 0.00 O ATOM 0 H GLU A 12 95.334 -1.866 0.645 1.00 0.00 H new ATOM 0 HA GLU A 12 96.568 0.556 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.127 1.087 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 12 93.837 -0.401 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 12 93.995 1.358 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.470 0.421 4.449 1.00 0.00 H new ATOM 188 N SER A 13 97.445 -0.853 3.570 1.00 0.00 N ATOM 189 CA SER A 13 98.138 -1.775 4.463 1.00 0.00 C ATOM 190 C SER A 13 97.410 -1.869 5.802 1.00 0.00 C ATOM 191 O SER A 13 96.857 -0.873 6.268 1.00 0.00 O ATOM 192 CB SER A 13 99.572 -1.286 4.685 1.00 0.00 C ATOM 193 OG SER A 13 100.295 -1.384 3.467 1.00 0.00 O ATOM 0 H SER A 13 97.793 0.106 3.593 1.00 0.00 H new ATOM 0 HA SER A 13 98.155 -2.765 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.566 -0.254 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.056 -1.883 5.458 1.00 0.00 H new ATOM 0 HG SER A 13 100.335 -2.322 3.185 1.00 0.00 H new ATOM 199 N PRO A 14 97.518 -2.972 6.498 1.00 0.00 N ATOM 200 CA PRO A 14 96.827 -3.150 7.807 1.00 0.00 C ATOM 201 C PRO A 14 97.273 -2.101 8.823 1.00 0.00 C ATOM 202 O PRO A 14 98.310 -1.460 8.650 1.00 0.00 O ATOM 203 CB PRO A 14 97.189 -4.572 8.259 1.00 0.00 C ATOM 204 CG PRO A 14 98.210 -5.093 7.298 1.00 0.00 C ATOM 205 CD PRO A 14 98.147 -4.222 6.042 1.00 0.00 C ATOM 0 HA PRO A 14 95.748 -3.020 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.585 -4.564 9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.306 -5.210 8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.206 -5.057 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.008 -6.135 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.141 -4.041 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.561 -4.699 5.256 1.00 0.00 H new ATOM 213 N GLY A 15 96.448 -1.884 9.843 1.00 0.00 N ATOM 214 CA GLY A 15 96.754 -0.898 10.874 1.00 0.00 C ATOM 215 C GLY A 15 96.145 0.454 10.518 1.00 0.00 C ATOM 216 O GLY A 15 95.708 1.199 11.395 1.00 0.00 O ATOM 0 H GLY A 15 95.565 -2.376 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.367 -1.236 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.834 -0.800 10.982 1.00 0.00 H new ATOM 220 N LYS A 16 96.149 0.776 9.228 1.00 0.00 N ATOM 221 CA LYS A 16 95.559 2.027 8.767 1.00 0.00 C ATOM 222 C LYS A 16 94.043 1.898 8.665 1.00 0.00 C ATOM 223 O LYS A 16 93.485 0.831 8.920 1.00 0.00 O ATOM 224 CB LYS A 16 96.137 2.407 7.403 1.00 0.00 C ATOM 225 CG LYS A 16 97.658 2.238 7.424 1.00 0.00 C ATOM 226 CD LYS A 16 98.268 3.103 8.533 1.00 0.00 C ATOM 227 CE LYS A 16 99.708 3.484 8.184 1.00 0.00 C ATOM 228 NZ LYS A 16 100.215 4.478 9.172 1.00 0.00 N ATOM 0 H LYS A 16 96.549 0.195 8.491 1.00 0.00 H new ATOM 0 HA LYS A 16 95.797 2.808 9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.702 1.780 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.879 3.438 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.913 1.191 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.077 2.522 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.670 4.004 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.248 2.560 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.341 2.597 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 99.751 3.901 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.194 4.736 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.617 5.328 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.189 4.064 10.126 1.00 0.00 H new ATOM 242 N THR A 17 93.400 2.939 8.143 1.00 0.00 N ATOM 243 CA THR A 17 91.960 2.917 7.905 1.00 0.00 C ATOM 244 C THR A 17 91.668 2.962 6.410 1.00 0.00 C ATOM 245 O THR A 17 92.547 3.278 5.607 1.00 0.00 O ATOM 246 CB THR A 17 91.299 4.125 8.568 1.00 0.00 C ATOM 247 OG1 THR A 17 91.876 5.321 8.066 1.00 0.00 O ATOM 248 CG2 THR A 17 91.504 4.054 10.082 1.00 0.00 C ATOM 0 H THR A 17 93.856 3.812 7.876 1.00 0.00 H new ATOM 0 HA THR A 17 91.560 1.996 8.329 1.00 0.00 H new ATOM 0 HB THR A 17 90.232 4.119 8.346 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.449 6.094 8.491 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.032 4.916 10.554 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.055 3.138 10.467 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.571 4.057 10.305 1.00 0.00 H new ATOM 256 N VAL A 18 90.436 2.626 6.039 1.00 0.00 N ATOM 257 CA VAL A 18 90.021 2.648 4.641 1.00 0.00 C ATOM 258 C VAL A 18 88.810 3.558 4.470 1.00 0.00 C ATOM 259 O VAL A 18 87.854 3.508 5.243 1.00 0.00 O ATOM 260 CB VAL A 18 89.707 1.222 4.182 1.00 0.00 C ATOM 261 CG1 VAL A 18 88.967 1.235 2.845 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.013 0.442 4.035 1.00 0.00 C ATOM 0 H VAL A 18 89.706 2.335 6.689 1.00 0.00 H new ATOM 0 HA VAL A 18 90.828 3.043 4.024 1.00 0.00 H new ATOM 0 HB VAL A 18 89.069 0.745 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.754 0.211 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.032 1.784 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.587 1.719 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.795 -0.575 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.648 0.932 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.529 0.412 4.995 1.00 0.00 H new ATOM 272 N THR A 19 88.884 4.424 3.466 1.00 0.00 N ATOM 273 CA THR A 19 87.780 5.312 3.133 1.00 0.00 C ATOM 274 C THR A 19 87.302 5.002 1.718 1.00 0.00 C ATOM 275 O THR A 19 88.017 5.247 0.746 1.00 0.00 O ATOM 276 CB THR A 19 88.253 6.763 3.249 1.00 0.00 C ATOM 277 OG1 THR A 19 88.440 7.086 4.619 1.00 0.00 O ATOM 278 CG2 THR A 19 87.209 7.702 2.643 1.00 0.00 C ATOM 0 H THR A 19 89.702 4.529 2.866 1.00 0.00 H new ATOM 0 HA THR A 19 86.947 5.163 3.821 1.00 0.00 H new ATOM 0 HB THR A 19 89.193 6.880 2.710 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.745 8.014 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.553 8.733 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.064 7.455 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.265 7.589 3.176 1.00 0.00 H new ATOM 286 N ILE A 20 86.042 4.595 1.599 1.00 0.00 N ATOM 287 CA ILE A 20 85.459 4.320 0.290 1.00 0.00 C ATOM 288 C ILE A 20 84.592 5.495 -0.144 1.00 0.00 C ATOM 289 O ILE A 20 83.537 5.750 0.434 1.00 0.00 O ATOM 290 CB ILE A 20 84.608 3.048 0.331 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.462 1.860 0.786 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.022 2.775 -1.058 1.00 0.00 C ATOM 293 CD1 ILE A 20 86.658 1.642 -0.146 1.00 0.00 C ATOM 0 H ILE A 20 85.409 4.449 2.386 1.00 0.00 H new ATOM 0 HA ILE A 20 86.270 4.176 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 20 83.793 3.185 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.817 2.033 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.850 0.959 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.417 1.869 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.400 3.617 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 20 84.832 2.645 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 20 87.243 0.792 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.300 1.444 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 20 87.283 2.535 -0.151 1.00 0.00 H new ATOM 305 N SER A 21 85.014 6.165 -1.211 1.00 0.00 N ATOM 306 CA SER A 21 84.282 7.316 -1.727 1.00 0.00 C ATOM 307 C SER A 21 83.472 6.892 -2.949 1.00 0.00 C ATOM 308 O SER A 21 84.032 6.663 -4.021 1.00 0.00 O ATOM 309 CB SER A 21 85.278 8.423 -2.092 1.00 0.00 C ATOM 310 OG SER A 21 85.423 8.509 -3.502 1.00 0.00 O ATOM 0 H SER A 21 85.858 5.931 -1.735 1.00 0.00 H new ATOM 0 HA SER A 21 83.596 7.697 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.932 9.378 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 21 86.245 8.218 -1.632 1.00 0.00 H new ATOM 0 HG SER A 21 85.454 7.607 -3.883 1.00 0.00 H new ATOM 316 N CYS A 22 82.146 6.900 -2.814 1.00 0.00 N ATOM 317 CA CYS A 22 81.250 6.523 -3.906 1.00 0.00 C ATOM 318 C CYS A 22 80.479 7.785 -4.303 1.00 0.00 C ATOM 319 O CYS A 22 79.732 8.344 -3.499 1.00 0.00 O ATOM 320 CB CYS A 22 80.301 5.404 -3.430 1.00 0.00 C ATOM 321 SG CYS A 22 80.819 3.745 -3.965 1.00 0.00 S ATOM 0 H CYS A 22 81.667 7.165 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 22 81.797 6.138 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.242 5.425 -2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.298 5.603 -3.807 1.00 0.00 H new ATOM 326 N THR A 23 80.672 8.256 -5.536 1.00 0.00 N ATOM 327 CA THR A 23 79.977 9.438 -6.046 1.00 0.00 C ATOM 328 C THR A 23 78.753 9.012 -6.852 1.00 0.00 C ATOM 329 O THR A 23 78.854 8.169 -7.742 1.00 0.00 O ATOM 330 CB THR A 23 80.925 10.293 -6.896 1.00 0.00 C ATOM 331 OG1 THR A 23 81.705 11.119 -6.045 1.00 0.00 O ATOM 332 CG2 THR A 23 80.156 11.190 -7.870 1.00 0.00 C ATOM 0 H THR A 23 81.312 7.830 -6.207 1.00 0.00 H new ATOM 0 HA THR A 23 79.643 10.045 -5.205 1.00 0.00 H new ATOM 0 HB THR A 23 81.558 9.616 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.313 11.665 -6.586 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.861 11.781 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.558 10.572 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.501 11.857 -7.310 1.00 0.00 H new ATOM 340 N GLY A 24 77.619 9.662 -6.609 1.00 0.00 N ATOM 341 CA GLY A 24 76.385 9.338 -7.319 1.00 0.00 C ATOM 342 C GLY A 24 76.060 10.385 -8.378 1.00 0.00 C ATOM 343 O GLY A 24 76.447 11.548 -8.260 1.00 0.00 O ATOM 0 H GLY A 24 77.528 10.415 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.481 8.360 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.562 9.270 -6.608 1.00 0.00 H new ATOM 347 N SER A 25 75.389 9.944 -9.440 1.00 0.00 N ATOM 348 CA SER A 25 75.015 10.820 -10.545 1.00 0.00 C ATOM 349 C SER A 25 73.499 10.843 -10.703 1.00 0.00 C ATOM 350 O SER A 25 72.827 9.851 -10.419 1.00 0.00 O ATOM 351 CB SER A 25 75.646 10.319 -11.845 1.00 0.00 C ATOM 352 OG SER A 25 75.123 11.058 -12.938 1.00 0.00 O ATOM 0 H SER A 25 75.091 8.975 -9.557 1.00 0.00 H new ATOM 0 HA SER A 25 75.374 11.826 -10.329 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.730 10.429 -11.802 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.439 9.257 -11.977 1.00 0.00 H new ATOM 0 HG SER A 25 75.528 10.739 -13.772 1.00 0.00 H new ATOM 358 N SER A 26 72.962 12.010 -11.042 1.00 0.00 N ATOM 359 CA SER A 26 71.520 12.157 -11.201 1.00 0.00 C ATOM 360 C SER A 26 70.793 11.790 -9.913 1.00 0.00 C ATOM 361 O SER A 26 69.569 11.891 -9.830 1.00 0.00 O ATOM 362 CB SER A 26 71.026 11.264 -12.341 1.00 0.00 C ATOM 363 OG SER A 26 69.609 11.338 -12.420 1.00 0.00 O ATOM 0 H SER A 26 73.498 12.861 -11.211 1.00 0.00 H new ATOM 0 HA SER A 26 71.307 13.200 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 26 71.471 11.581 -13.284 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.338 10.234 -12.172 1.00 0.00 H new ATOM 0 HG SER A 26 69.249 11.641 -11.561 1.00 0.00 H new ATOM 369 N GLY A 27 71.555 11.394 -8.898 1.00 0.00 N ATOM 370 CA GLY A 27 70.983 10.988 -7.619 1.00 0.00 C ATOM 371 C GLY A 27 71.859 11.469 -6.467 1.00 0.00 C ATOM 372 O GLY A 27 73.078 11.571 -6.604 1.00 0.00 O ATOM 0 H GLY A 27 72.573 11.346 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.979 11.399 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.889 9.903 -7.584 1.00 0.00 H new ATOM 376 N SER A 28 71.221 11.867 -5.370 1.00 0.00 N ATOM 377 CA SER A 28 71.939 12.348 -4.195 1.00 0.00 C ATOM 378 C SER A 28 71.967 11.274 -3.113 1.00 0.00 C ATOM 379 O SER A 28 70.924 10.791 -2.674 1.00 0.00 O ATOM 380 CB SER A 28 71.252 13.601 -3.648 1.00 0.00 C ATOM 381 OG SER A 28 71.948 14.052 -2.496 1.00 0.00 O ATOM 0 H SER A 28 70.206 11.866 -5.271 1.00 0.00 H new ATOM 0 HA SER A 28 72.962 12.587 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.237 14.383 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.214 13.381 -3.397 1.00 0.00 H new ATOM 0 HG SER A 28 71.512 14.856 -2.144 1.00 0.00 H new ATOM 387 N ILE A 29 73.168 10.950 -2.647 1.00 0.00 N ATOM 388 CA ILE A 29 73.310 9.957 -1.589 1.00 0.00 C ATOM 389 C ILE A 29 72.663 10.436 -0.295 1.00 0.00 C ATOM 390 O ILE A 29 72.745 9.767 0.736 1.00 0.00 O ATOM 391 CB ILE A 29 74.787 9.646 -1.335 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.505 10.841 -0.698 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.471 9.262 -2.652 1.00 0.00 C ATOM 394 CD1 ILE A 29 75.343 12.105 -1.543 1.00 0.00 C ATOM 0 H ILE A 29 74.044 11.353 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 29 72.803 9.051 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 29 74.844 8.809 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.107 11.016 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 29 76.564 10.612 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.522 9.042 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.985 8.381 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.393 10.090 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.864 12.933 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 29 75.765 11.937 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.284 12.347 -1.636 1.00 0.00 H new ATOM 406 N ALA A 30 71.960 11.563 -0.372 1.00 0.00 N ATOM 407 CA ALA A 30 71.243 12.108 0.777 1.00 0.00 C ATOM 408 C ALA A 30 69.737 12.024 0.552 1.00 0.00 C ATOM 409 O ALA A 30 68.964 11.923 1.506 1.00 0.00 O ATOM 410 CB ALA A 30 71.650 13.568 0.985 1.00 0.00 C ATOM 0 H ALA A 30 71.872 12.119 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 30 71.498 11.525 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 30 71.115 13.976 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.723 13.624 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.402 14.145 0.094 1.00 0.00 H new ATOM 416 N SER A 31 69.326 12.039 -0.712 1.00 0.00 N ATOM 417 CA SER A 31 67.907 11.980 -1.041 1.00 0.00 C ATOM 418 C SER A 31 67.378 10.559 -0.891 1.00 0.00 C ATOM 419 O SER A 31 66.168 10.343 -0.822 1.00 0.00 O ATOM 420 CB SER A 31 67.680 12.447 -2.480 1.00 0.00 C ATOM 421 OG SER A 31 68.393 11.599 -3.367 1.00 0.00 O ATOM 0 H SER A 31 69.949 12.091 -1.518 1.00 0.00 H new ATOM 0 HA SER A 31 67.373 12.635 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.616 12.428 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.014 13.478 -2.597 1.00 0.00 H new ATOM 0 HG SER A 31 67.774 10.960 -3.777 1.00 0.00 H new ATOM 427 N ASN A 32 68.291 9.602 -0.753 1.00 0.00 N ATOM 428 CA ASN A 32 67.914 8.196 -0.646 1.00 0.00 C ATOM 429 C ASN A 32 68.874 7.488 0.306 1.00 0.00 C ATOM 430 O ASN A 32 69.963 7.988 0.592 1.00 0.00 O ATOM 431 CB ASN A 32 67.923 7.523 -2.028 1.00 0.00 C ATOM 432 CG ASN A 32 68.118 8.557 -3.134 1.00 0.00 C ATOM 433 OD1 ASN A 32 67.122 9.325 -3.481 1.00 0.00 O flip ATOM 434 ND2 ASN A 32 69.194 8.631 -3.730 1.00 0.00 N flip ATOM 0 H ASN A 32 69.296 9.774 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 32 66.901 8.126 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.722 6.783 -2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 32 66.985 6.990 -2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 32 69.971 8.029 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 32 69.308 9.294 -4.497 1.00 0.00 H new ATOM 441 N TYR A 33 68.465 6.317 0.783 1.00 0.00 N ATOM 442 CA TYR A 33 69.288 5.548 1.710 1.00 0.00 C ATOM 443 C TYR A 33 70.308 4.730 0.923 1.00 0.00 C ATOM 444 O TYR A 33 70.016 4.253 -0.173 1.00 0.00 O ATOM 445 CB TYR A 33 68.409 4.628 2.566 1.00 0.00 C ATOM 446 CG TYR A 33 67.006 5.181 2.652 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.739 6.301 3.448 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.981 4.608 1.889 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.456 6.862 3.462 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.685 5.134 1.948 1.00 0.00 C ATOM 451 CZ TYR A 33 64.416 6.241 2.761 1.00 0.00 C ATOM 452 OH TYR A 33 63.141 6.765 2.806 1.00 0.00 O ATOM 0 H TYR A 33 67.574 5.882 0.545 1.00 0.00 H new ATOM 0 HA TYR A 33 69.815 6.232 2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.388 3.628 2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.833 4.534 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 33 67.523 6.733 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 33 66.191 3.760 1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.269 7.772 4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.893 4.686 1.366 1.00 0.00 H new ATOM 0 HH TYR A 33 62.541 6.212 2.263 1.00 0.00 H new ATOM 462 N VAL A 34 71.495 4.553 1.496 1.00 0.00 N ATOM 463 CA VAL A 34 72.555 3.783 0.850 1.00 0.00 C ATOM 464 C VAL A 34 72.836 2.517 1.654 1.00 0.00 C ATOM 465 O VAL A 34 72.899 2.550 2.884 1.00 0.00 O ATOM 466 CB VAL A 34 73.816 4.644 0.726 1.00 0.00 C ATOM 467 CG1 VAL A 34 75.045 3.773 0.449 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.641 5.642 -0.422 1.00 0.00 C ATOM 0 H VAL A 34 71.748 4.933 2.408 1.00 0.00 H new ATOM 0 HA VAL A 34 72.238 3.491 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 34 73.965 5.174 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.928 4.406 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.182 3.066 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.901 3.226 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.538 6.255 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.478 5.100 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.782 6.282 -0.220 1.00 0.00 H new ATOM 478 N GLN A 35 73.166 1.447 0.938 1.00 0.00 N ATOM 479 CA GLN A 35 73.490 0.169 1.564 1.00 0.00 C ATOM 480 C GLN A 35 74.851 -0.294 1.056 1.00 0.00 C ATOM 481 O GLN A 35 75.192 -0.072 -0.106 1.00 0.00 O ATOM 482 CB GLN A 35 72.447 -0.887 1.187 1.00 0.00 C ATOM 483 CG GLN A 35 71.026 -0.379 1.456 1.00 0.00 C ATOM 484 CD GLN A 35 70.027 -1.114 0.569 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.077 -0.985 -0.654 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.094 -1.845 1.114 1.00 0.00 N ATOM 0 H GLN A 35 73.216 1.440 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 35 73.501 0.295 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.551 -1.145 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.625 -1.798 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.771 -0.529 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.973 0.693 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 35 69.055 -1.950 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.403 -2.312 0.526 1.00 0.00 H new ATOM 495 N TRP A 36 75.639 -0.905 1.935 1.00 0.00 N ATOM 496 CA TRP A 36 76.979 -1.351 1.567 1.00 0.00 C ATOM 497 C TRP A 36 77.038 -2.873 1.498 1.00 0.00 C ATOM 498 O TRP A 36 76.367 -3.572 2.257 1.00 0.00 O ATOM 499 CB TRP A 36 77.990 -0.847 2.596 1.00 0.00 C ATOM 500 CG TRP A 36 78.014 0.648 2.591 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.068 1.449 3.132 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.999 1.536 1.985 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.418 2.768 2.917 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.606 2.877 2.223 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.193 1.312 1.283 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.361 3.956 1.749 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.952 2.390 0.811 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.523 3.708 1.011 1.00 0.00 C ATOM 0 H TRP A 36 75.376 -1.102 2.901 1.00 0.00 H new ATOM 0 HA TRP A 36 77.222 -0.946 0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.726 -1.212 3.588 1.00 0.00 H new ATOM 0 HB3 TRP A 36 78.982 -1.237 2.366 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.182 1.112 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.865 3.565 3.233 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.529 0.301 1.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.049 4.970 1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.878 2.203 0.287 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.088 4.530 0.597 1.00 0.00 H new ATOM 519 N TYR A 37 77.879 -3.371 0.596 1.00 0.00 N ATOM 520 CA TYR A 37 78.033 -4.804 0.369 1.00 0.00 C ATOM 521 C TYR A 37 79.508 -5.125 0.151 1.00 0.00 C ATOM 522 O TYR A 37 80.283 -4.273 -0.283 1.00 0.00 O ATOM 523 CB TYR A 37 77.209 -5.240 -0.849 1.00 0.00 C ATOM 524 CG TYR A 37 75.819 -5.661 -0.433 1.00 0.00 C ATOM 525 CD1 TYR A 37 74.858 -4.693 -0.120 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.507 -7.020 -0.306 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.581 -5.084 0.301 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.216 -7.412 0.065 1.00 0.00 C ATOM 529 CZ TYR A 37 73.250 -6.443 0.363 1.00 0.00 C ATOM 530 OH TYR A 37 71.984 -6.830 0.751 1.00 0.00 O ATOM 0 H TYR A 37 78.473 -2.792 0.002 1.00 0.00 H new ATOM 0 HA TYR A 37 77.671 -5.348 1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.147 -4.420 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.708 -6.067 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.101 -3.644 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.264 -7.767 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.851 -4.337 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.965 -8.461 0.121 1.00 0.00 H new ATOM 0 HH TYR A 37 71.923 -7.808 0.739 1.00 0.00 H new ATOM 540 N GLN A 38 79.890 -6.363 0.452 1.00 0.00 N ATOM 541 CA GLN A 38 81.268 -6.810 0.278 1.00 0.00 C ATOM 542 C GLN A 38 81.277 -8.087 -0.559 1.00 0.00 C ATOM 543 O GLN A 38 80.417 -8.951 -0.386 1.00 0.00 O ATOM 544 CB GLN A 38 81.883 -7.070 1.662 1.00 0.00 C ATOM 545 CG GLN A 38 83.085 -6.157 1.908 1.00 0.00 C ATOM 546 CD GLN A 38 84.215 -6.557 0.966 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.199 -7.654 0.408 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.178 -5.711 0.723 1.00 0.00 N ATOM 0 H GLN A 38 79.261 -7.077 0.819 1.00 0.00 H new ATOM 0 HA GLN A 38 81.854 -6.048 -0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.132 -6.905 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.192 -8.113 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.807 -5.116 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.413 -6.238 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.188 -4.803 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 38 85.921 -5.958 0.069 1.00 0.00 H new ATOM 557 N GLN A 39 82.282 -8.230 -1.421 1.00 0.00 N ATOM 558 CA GLN A 39 82.354 -9.374 -2.328 1.00 0.00 C ATOM 559 C GLN A 39 83.645 -10.153 -2.101 1.00 0.00 C ATOM 560 O GLN A 39 84.736 -9.585 -2.154 1.00 0.00 O ATOM 561 CB GLN A 39 82.284 -8.885 -3.782 1.00 0.00 C ATOM 562 CG GLN A 39 81.043 -9.436 -4.489 1.00 0.00 C ATOM 563 CD GLN A 39 81.065 -9.028 -5.957 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.635 -9.734 -6.790 1.00 0.00 O ATOM 565 NE2 GLN A 39 80.516 -7.900 -6.316 1.00 0.00 N ATOM 0 H GLN A 39 83.055 -7.571 -1.510 1.00 0.00 H new ATOM 0 HA GLN A 39 81.511 -10.036 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.264 -7.795 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.180 -9.197 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.016 -10.522 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.141 -9.056 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 39 80.045 -7.319 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 39 80.558 -7.600 -7.290 1.00 0.00 H new ATOM 574 N ARG A 40 83.494 -11.368 -1.583 1.00 0.00 N ATOM 575 CA ARG A 40 84.628 -12.257 -1.351 1.00 0.00 C ATOM 576 C ARG A 40 84.781 -13.286 -2.472 1.00 0.00 C ATOM 577 O ARG A 40 83.787 -13.888 -2.880 1.00 0.00 O ATOM 578 CB ARG A 40 84.450 -12.951 0.000 1.00 0.00 C ATOM 579 CG ARG A 40 84.636 -11.926 1.123 1.00 0.00 C ATOM 580 CD ARG A 40 84.611 -12.593 2.503 1.00 0.00 C ATOM 581 NE ARG A 40 83.350 -12.289 3.172 1.00 0.00 N ATOM 582 CZ ARG A 40 82.519 -13.247 3.573 1.00 0.00 C ATOM 583 NH1 ARG A 40 82.250 -14.249 2.782 1.00 0.00 N ATOM 584 NH2 ARG A 40 81.996 -13.199 4.767 1.00 0.00 N ATOM 0 H ARG A 40 82.592 -11.761 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 40 85.541 -11.661 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.459 -13.401 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.174 -13.759 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.583 -11.404 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 40 83.848 -11.176 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 40 84.728 -13.672 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 40 85.448 -12.238 3.105 1.00 0.00 H new ATOM 0 HE ARG A 40 83.099 -11.314 3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 40 82.677 -14.297 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 40 81.613 -14.984 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.224 -12.427 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 40 81.359 -13.934 5.075 1.00 0.00 H new ATOM 598 N PRO A 41 85.975 -13.590 -2.915 1.00 0.00 N ATOM 599 CA PRO A 41 86.162 -14.559 -4.033 1.00 0.00 C ATOM 600 C PRO A 41 85.563 -15.920 -3.690 1.00 0.00 C ATOM 601 O PRO A 41 85.756 -16.430 -2.586 1.00 0.00 O ATOM 602 CB PRO A 41 87.680 -14.654 -4.245 1.00 0.00 C ATOM 603 CG PRO A 41 88.331 -13.742 -3.252 1.00 0.00 C ATOM 604 CD PRO A 41 87.238 -12.915 -2.568 1.00 0.00 C ATOM 0 HA PRO A 41 85.652 -14.230 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.023 -15.679 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.944 -14.364 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.887 -14.320 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 41 89.046 -13.088 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.385 -12.883 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.244 -11.884 -2.921 1.00 0.00 H new ATOM 612 N GLY A 42 84.874 -16.523 -4.653 1.00 0.00 N ATOM 613 CA GLY A 42 84.276 -17.836 -4.440 1.00 0.00 C ATOM 614 C GLY A 42 83.117 -17.762 -3.451 1.00 0.00 C ATOM 615 O GLY A 42 82.236 -18.621 -3.454 1.00 0.00 O ATOM 0 H GLY A 42 84.717 -16.128 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 42 83.921 -18.235 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.032 -18.526 -4.067 1.00 0.00 H new ATOM 619 N SER A 43 83.185 -16.805 -2.531 1.00 0.00 N ATOM 620 CA SER A 43 82.155 -16.641 -1.511 1.00 0.00 C ATOM 621 C SER A 43 81.030 -15.749 -2.029 1.00 0.00 C ATOM 622 O SER A 43 81.147 -15.139 -3.092 1.00 0.00 O ATOM 623 CB SER A 43 82.791 -16.046 -0.251 1.00 0.00 C ATOM 624 OG SER A 43 83.049 -17.088 0.678 1.00 0.00 O ATOM 0 H SER A 43 83.946 -16.129 -2.471 1.00 0.00 H new ATOM 0 HA SER A 43 81.722 -17.611 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.718 -15.531 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.126 -15.305 0.191 1.00 0.00 H new ATOM 0 HG SER A 43 83.458 -16.712 1.486 1.00 0.00 H new ATOM 630 N SER A 44 79.925 -15.711 -1.289 1.00 0.00 N ATOM 631 CA SER A 44 78.774 -14.904 -1.680 1.00 0.00 C ATOM 632 C SER A 44 78.936 -13.471 -1.178 1.00 0.00 C ATOM 633 O SER A 44 79.918 -13.154 -0.507 1.00 0.00 O ATOM 634 CB SER A 44 77.496 -15.540 -1.119 1.00 0.00 C ATOM 635 OG SER A 44 77.774 -16.876 -0.726 1.00 0.00 O ATOM 0 H SER A 44 79.803 -16.228 -0.418 1.00 0.00 H new ATOM 0 HA SER A 44 78.704 -14.871 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.133 -14.965 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.708 -15.526 -1.872 1.00 0.00 H new ATOM 0 HG SER A 44 76.961 -17.287 -0.365 1.00 0.00 H new ATOM 641 N PRO A 45 77.985 -12.617 -1.445 1.00 0.00 N ATOM 642 CA PRO A 45 78.023 -11.203 -0.975 1.00 0.00 C ATOM 643 C PRO A 45 77.757 -11.095 0.524 1.00 0.00 C ATOM 644 O PRO A 45 77.005 -11.891 1.086 1.00 0.00 O ATOM 645 CB PRO A 45 76.936 -10.492 -1.794 1.00 0.00 C ATOM 646 CG PRO A 45 76.332 -11.513 -2.707 1.00 0.00 C ATOM 647 CD PRO A 45 76.749 -12.894 -2.196 1.00 0.00 C ATOM 0 HA PRO A 45 79.006 -10.754 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.177 -10.065 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.362 -9.668 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.246 -11.421 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 45 76.676 -11.363 -3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.982 -13.336 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 45 76.924 -13.591 -3.016 1.00 0.00 H new ATOM 655 N THR A 46 78.257 -10.023 1.134 1.00 0.00 N ATOM 656 CA THR A 46 78.049 -9.781 2.559 1.00 0.00 C ATOM 657 C THR A 46 77.706 -8.316 2.807 1.00 0.00 C ATOM 658 O THR A 46 78.355 -7.420 2.268 1.00 0.00 O ATOM 659 CB THR A 46 79.316 -10.137 3.338 1.00 0.00 C ATOM 660 OG1 THR A 46 79.695 -11.473 3.043 1.00 0.00 O ATOM 661 CG2 THR A 46 79.049 -9.999 4.839 1.00 0.00 C ATOM 0 H THR A 46 78.810 -9.307 0.663 1.00 0.00 H new ATOM 0 HA THR A 46 77.221 -10.405 2.896 1.00 0.00 H new ATOM 0 HB THR A 46 80.121 -9.461 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.006 -11.913 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.952 -10.253 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.761 -8.972 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 46 78.243 -10.674 5.129 1.00 0.00 H new ATOM 669 N THR A 47 76.631 -8.078 3.550 1.00 0.00 N ATOM 670 CA THR A 47 76.217 -6.713 3.847 1.00 0.00 C ATOM 671 C THR A 47 77.157 -6.084 4.871 1.00 0.00 C ATOM 672 O THR A 47 77.315 -6.604 5.975 1.00 0.00 O ATOM 673 CB THR A 47 74.775 -6.713 4.364 1.00 0.00 C ATOM 674 OG1 THR A 47 74.074 -7.807 3.792 1.00 0.00 O ATOM 675 CG2 THR A 47 74.071 -5.414 3.968 1.00 0.00 C ATOM 0 H THR A 47 76.037 -8.803 3.953 1.00 0.00 H new ATOM 0 HA THR A 47 76.264 -6.118 2.935 1.00 0.00 H new ATOM 0 HB THR A 47 74.789 -6.798 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.151 -7.812 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.047 -5.427 4.341 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.604 -4.566 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.060 -5.323 2.882 1.00 0.00 H new ATOM 683 N VAL A 48 77.626 -4.874 4.580 1.00 0.00 N ATOM 684 CA VAL A 48 78.536 -4.187 5.492 1.00 0.00 C ATOM 685 C VAL A 48 77.805 -3.130 6.317 1.00 0.00 C ATOM 686 O VAL A 48 78.005 -3.054 7.530 1.00 0.00 O ATOM 687 CB VAL A 48 79.665 -3.522 4.695 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.487 -2.619 5.624 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.557 -4.581 4.030 1.00 0.00 C ATOM 0 H VAL A 48 77.396 -4.355 3.733 1.00 0.00 H new ATOM 0 HA VAL A 48 78.950 -4.928 6.176 1.00 0.00 H new ATOM 0 HB VAL A 48 79.230 -2.911 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.289 -2.147 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 79.842 -1.850 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.915 -3.218 6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.351 -4.088 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.996 -5.220 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.957 -5.188 3.351 1.00 0.00 H new ATOM 699 N ILE A 49 76.867 -2.408 5.710 1.00 0.00 N ATOM 700 CA ILE A 49 76.082 -1.422 6.446 1.00 0.00 C ATOM 701 C ILE A 49 74.651 -1.418 5.922 1.00 0.00 C ATOM 702 O ILE A 49 74.379 -1.898 4.822 1.00 0.00 O ATOM 703 CB ILE A 49 76.753 -0.044 6.342 1.00 0.00 C ATOM 704 CG1 ILE A 49 77.780 0.103 7.469 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.755 1.118 6.408 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.522 1.436 7.362 1.00 0.00 C ATOM 0 H ILE A 49 76.634 -2.486 4.720 1.00 0.00 H new ATOM 0 HA ILE A 49 76.041 -1.681 7.504 1.00 0.00 H new ATOM 0 HB ILE A 49 77.234 0.006 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.278 0.038 8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.494 -0.720 7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.292 2.063 6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.044 1.034 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.218 1.083 7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.245 1.516 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.042 1.487 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 49 77.808 2.257 7.430 1.00 0.00 H new ATOM 718 N TYR A 50 73.793 -0.688 6.629 1.00 0.00 N ATOM 719 CA TYR A 50 72.413 -0.506 6.191 1.00 0.00 C ATOM 720 C TYR A 50 71.988 0.942 6.415 1.00 0.00 C ATOM 721 O TYR A 50 72.072 1.463 7.528 1.00 0.00 O ATOM 722 CB TYR A 50 71.513 -1.476 6.969 1.00 0.00 C ATOM 723 CG TYR A 50 70.680 -2.324 6.035 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.436 -1.857 5.596 1.00 0.00 C ATOM 725 CD2 TYR A 50 71.156 -3.569 5.606 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.672 -2.629 4.712 1.00 0.00 C ATOM 727 CE2 TYR A 50 70.388 -4.344 4.727 1.00 0.00 C ATOM 728 CZ TYR A 50 69.164 -3.856 4.252 1.00 0.00 C ATOM 729 OH TYR A 50 68.396 -4.630 3.406 1.00 0.00 O ATOM 0 H TYR A 50 74.027 -0.216 7.502 1.00 0.00 H new ATOM 0 HA TYR A 50 72.323 -0.721 5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.128 -2.120 7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.858 -0.913 7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.065 -0.902 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 50 72.113 -3.931 5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 50 67.704 -2.278 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 50 70.739 -5.317 4.416 1.00 0.00 H new ATOM 0 HH TYR A 50 68.884 -5.449 3.179 1.00 0.00 H new ATOM 739 N GLU A 51 71.378 1.514 5.382 1.00 0.00 N ATOM 740 CA GLU A 51 70.805 2.851 5.482 1.00 0.00 C ATOM 741 C GLU A 51 71.861 3.862 5.915 1.00 0.00 C ATOM 742 O GLU A 51 71.533 4.927 6.438 1.00 0.00 O ATOM 743 CB GLU A 51 69.645 2.869 6.482 1.00 0.00 C ATOM 744 CG GLU A 51 68.542 1.881 6.072 1.00 0.00 C ATOM 745 CD GLU A 51 67.212 2.597 5.853 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.224 3.646 5.231 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.206 2.099 6.333 1.00 0.00 O ATOM 0 H GLU A 51 71.268 1.074 4.468 1.00 0.00 H new ATOM 0 HA GLU A 51 70.432 3.126 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.014 2.614 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.231 3.875 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.835 1.364 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.426 1.121 6.844 1.00 0.00 H new ATOM 754 N ASP A 52 73.118 3.578 5.594 1.00 0.00 N ATOM 755 CA ASP A 52 74.200 4.499 5.922 1.00 0.00 C ATOM 756 C ASP A 52 74.078 4.967 7.370 1.00 0.00 C ATOM 757 O ASP A 52 74.607 6.019 7.732 1.00 0.00 O ATOM 758 CB ASP A 52 74.169 5.689 4.953 1.00 0.00 C ATOM 759 CG ASP A 52 75.382 5.688 4.026 1.00 0.00 C ATOM 760 OD1 ASP A 52 75.590 4.686 3.361 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.127 6.653 4.055 1.00 0.00 O ATOM 0 H ASP A 52 73.411 2.728 5.113 1.00 0.00 H new ATOM 0 HA ASP A 52 75.157 3.987 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.256 5.652 4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.143 6.620 5.519 1.00 0.00 H new ATOM 766 N ASN A 53 73.368 4.200 8.194 1.00 0.00 N ATOM 767 CA ASN A 53 73.165 4.561 9.594 1.00 0.00 C ATOM 768 C ASN A 53 73.920 3.603 10.510 1.00 0.00 C ATOM 769 O ASN A 53 74.538 4.025 11.488 1.00 0.00 O ATOM 770 CB ASN A 53 71.674 4.517 9.931 1.00 0.00 C ATOM 771 CG ASN A 53 70.886 5.356 8.931 1.00 0.00 C ATOM 772 OD1 ASN A 53 69.794 4.963 8.520 1.00 0.00 O ATOM 773 ND2 ASN A 53 71.402 6.460 8.464 1.00 0.00 N ATOM 0 H ASN A 53 72.924 3.325 7.916 1.00 0.00 H new ATOM 0 HA ASN A 53 73.546 5.571 9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.319 3.487 9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.510 4.892 10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.901 6.998 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 53 72.307 6.784 8.805 1.00 0.00 H new ATOM 780 N GLN A 54 73.873 2.314 10.188 1.00 0.00 N ATOM 781 CA GLN A 54 74.521 1.306 11.017 1.00 0.00 C ATOM 782 C GLN A 54 74.487 -0.047 10.313 1.00 0.00 C ATOM 783 O GLN A 54 74.254 -0.122 9.107 1.00 0.00 O ATOM 784 CB GLN A 54 73.812 1.223 12.371 1.00 0.00 C ATOM 785 CG GLN A 54 72.296 1.268 12.165 1.00 0.00 C ATOM 786 CD GLN A 54 71.586 0.791 13.427 1.00 0.00 C ATOM 787 OE1 GLN A 54 72.077 -0.223 14.085 1.00 0.00 O flip ATOM 788 NE2 GLN A 54 70.542 1.328 13.800 1.00 0.00 N flip ATOM 0 H GLN A 54 73.396 1.946 9.365 1.00 0.00 H new ATOM 0 HA GLN A 54 75.562 1.585 11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.092 0.302 12.883 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.127 2.050 13.008 1.00 0.00 H new ATOM 0 HG2 GLN A 54 71.983 2.284 11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.016 0.639 11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 54 70.163 2.120 13.282 1.00 0.00 H new ATOM 0 HE22 GLN A 54 70.057 0.980 14.627 1.00 0.00 H new ATOM 797 N ARG A 55 74.736 -1.119 11.060 1.00 0.00 N ATOM 798 CA ARG A 55 74.768 -2.458 10.481 1.00 0.00 C ATOM 799 C ARG A 55 74.100 -3.457 11.423 1.00 0.00 C ATOM 800 O ARG A 55 74.175 -3.293 12.641 1.00 0.00 O ATOM 801 CB ARG A 55 76.228 -2.855 10.253 1.00 0.00 C ATOM 802 CG ARG A 55 76.957 -2.965 11.597 1.00 0.00 C ATOM 803 CD ARG A 55 78.427 -2.566 11.449 1.00 0.00 C ATOM 804 NE ARG A 55 78.546 -1.246 10.837 1.00 0.00 N ATOM 805 CZ ARG A 55 78.525 -0.137 11.570 1.00 0.00 C ATOM 806 NH1 ARG A 55 78.078 -0.176 12.796 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.973 0.985 11.075 1.00 0.00 N ATOM 0 H ARG A 55 74.918 -1.087 12.063 1.00 0.00 H new ATOM 0 HA ARG A 55 74.227 -2.462 9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.276 -3.807 9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.721 -2.115 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.473 -2.323 12.333 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.888 -3.986 11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.908 -2.563 12.427 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.949 -3.303 10.839 1.00 0.00 H new ATOM 0 HE ARG A 55 78.647 -1.173 9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 55 77.746 -1.056 13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.061 0.674 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.340 1.012 10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.956 1.834 11.639 1.00 0.00 H new ATOM 821 N PRO A 56 73.575 -4.543 10.919 1.00 0.00 N ATOM 822 CA PRO A 56 72.884 -5.552 11.771 1.00 0.00 C ATOM 823 C PRO A 56 73.792 -6.052 12.891 1.00 0.00 C ATOM 824 O PRO A 56 74.991 -5.773 12.898 1.00 0.00 O ATOM 825 CB PRO A 56 72.499 -6.682 10.806 1.00 0.00 C ATOM 826 CG PRO A 56 73.143 -6.360 9.496 1.00 0.00 C ATOM 827 CD PRO A 56 73.392 -4.852 9.491 1.00 0.00 C ATOM 0 HA PRO A 56 72.012 -5.134 12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.843 -7.646 11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.416 -6.749 10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.078 -6.908 9.379 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.498 -6.649 8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.273 -4.590 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.551 -4.305 9.064 1.00 0.00 H new ATOM 835 N SER A 57 73.175 -6.598 13.933 1.00 0.00 N ATOM 836 CA SER A 57 73.938 -7.148 15.047 1.00 0.00 C ATOM 837 C SER A 57 74.634 -8.440 14.631 1.00 0.00 C ATOM 838 O SER A 57 74.041 -9.288 13.964 1.00 0.00 O ATOM 839 CB SER A 57 73.015 -7.398 16.242 1.00 0.00 C ATOM 840 OG SER A 57 72.837 -6.182 16.953 1.00 0.00 O ATOM 0 H SER A 57 72.162 -6.671 14.030 1.00 0.00 H new ATOM 0 HA SER A 57 74.701 -6.427 15.339 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.052 -7.778 15.901 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.444 -8.157 16.896 1.00 0.00 H new ATOM 0 HG SER A 57 72.245 -6.335 17.719 1.00 0.00 H new ATOM 846 N GLY A 58 75.840 -8.643 15.153 1.00 0.00 N ATOM 847 CA GLY A 58 76.582 -9.874 14.911 1.00 0.00 C ATOM 848 C GLY A 58 77.693 -9.649 13.893 1.00 0.00 C ATOM 849 O GLY A 58 78.801 -10.159 14.053 1.00 0.00 O ATOM 0 H GLY A 58 76.324 -7.969 15.747 1.00 0.00 H new ATOM 0 HA2 GLY A 58 77.009 -10.236 15.847 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.904 -10.647 14.550 1.00 0.00 H new ATOM 853 N VAL A 59 77.433 -8.803 12.902 1.00 0.00 N ATOM 854 CA VAL A 59 78.444 -8.520 11.891 1.00 0.00 C ATOM 855 C VAL A 59 79.514 -7.595 12.467 1.00 0.00 C ATOM 856 O VAL A 59 79.202 -6.742 13.299 1.00 0.00 O ATOM 857 CB VAL A 59 77.799 -7.863 10.666 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.880 -8.873 9.971 1.00 0.00 C ATOM 859 CG2 VAL A 59 77.009 -6.608 11.073 1.00 0.00 C ATOM 0 H VAL A 59 76.549 -8.310 12.778 1.00 0.00 H new ATOM 0 HA VAL A 59 78.907 -9.459 11.588 1.00 0.00 H new ATOM 0 HB VAL A 59 78.583 -7.555 9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.420 -8.407 9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.463 -9.738 9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.102 -9.194 10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.560 -6.158 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.224 -6.884 11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.682 -5.891 11.543 1.00 0.00 H new ATOM 869 N PRO A 60 80.726 -7.649 11.979 1.00 0.00 N ATOM 870 CA PRO A 60 81.825 -6.823 12.551 1.00 0.00 C ATOM 871 C PRO A 60 81.498 -5.335 12.462 1.00 0.00 C ATOM 872 O PRO A 60 80.620 -4.932 11.699 1.00 0.00 O ATOM 873 CB PRO A 60 83.065 -7.183 11.718 1.00 0.00 C ATOM 874 CG PRO A 60 82.646 -8.205 10.708 1.00 0.00 C ATOM 875 CD PRO A 60 81.253 -8.704 11.098 1.00 0.00 C ATOM 0 HA PRO A 60 81.981 -7.023 13.611 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.466 -6.298 11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.855 -7.577 12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.630 -7.770 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.355 -9.032 10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.620 -8.844 10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 60 81.303 -9.664 11.612 1.00 0.00 H new ATOM 883 N ASP A 61 82.181 -4.529 13.271 1.00 0.00 N ATOM 884 CA ASP A 61 81.955 -3.087 13.296 1.00 0.00 C ATOM 885 C ASP A 61 83.184 -2.341 12.791 1.00 0.00 C ATOM 886 O ASP A 61 83.559 -1.301 13.330 1.00 0.00 O ATOM 887 CB ASP A 61 81.621 -2.636 14.721 1.00 0.00 C ATOM 888 CG ASP A 61 80.822 -3.722 15.433 1.00 0.00 C ATOM 889 OD1 ASP A 61 79.605 -3.698 15.339 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.442 -4.552 16.076 1.00 0.00 O ATOM 0 H ASP A 61 82.898 -4.852 13.920 1.00 0.00 H new ATOM 0 HA ASP A 61 81.116 -2.857 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.539 -2.428 15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.048 -1.709 14.694 1.00 0.00 H new ATOM 895 N ARG A 62 83.801 -2.880 11.745 1.00 0.00 N ATOM 896 CA ARG A 62 85.015 -2.292 11.191 1.00 0.00 C ATOM 897 C ARG A 62 84.663 -1.315 10.075 1.00 0.00 C ATOM 898 O ARG A 62 85.550 -0.851 9.360 1.00 0.00 O ATOM 899 CB ARG A 62 85.916 -3.396 10.634 1.00 0.00 C ATOM 900 CG ARG A 62 86.168 -4.464 11.702 1.00 0.00 C ATOM 901 CD ARG A 62 86.637 -5.757 11.033 1.00 0.00 C ATOM 902 NE ARG A 62 87.584 -5.450 9.966 1.00 0.00 N ATOM 903 CZ ARG A 62 87.229 -5.486 8.685 1.00 0.00 C ATOM 904 NH1 ARG A 62 86.909 -6.623 8.129 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.271 -4.402 7.962 1.00 0.00 N ATOM 0 H ARG A 62 83.481 -3.721 11.265 1.00 0.00 H new ATOM 0 HA ARG A 62 85.540 -1.757 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.449 -3.849 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.864 -2.970 10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.920 -4.115 12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.256 -4.647 12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.106 -6.409 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.782 -6.298 10.627 1.00 0.00 H new ATOM 0 HE ARG A 62 88.543 -5.201 10.209 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.931 -7.483 8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 62 86.637 -6.651 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 62 87.577 -3.523 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 62 86.998 -4.433 6.980 1.00 0.00 H new ATOM 919 N PHE A 63 83.368 -1.134 9.825 1.00 0.00 N ATOM 920 CA PHE A 63 82.899 -0.298 8.721 1.00 0.00 C ATOM 921 C PHE A 63 81.964 0.794 9.231 1.00 0.00 C ATOM 922 O PHE A 63 81.168 0.567 10.141 1.00 0.00 O ATOM 923 CB PHE A 63 82.186 -1.157 7.671 1.00 0.00 C ATOM 924 CG PHE A 63 82.758 -2.553 7.701 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.204 -3.498 8.572 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.743 -2.937 6.785 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.698 -4.807 8.587 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.237 -4.247 6.799 1.00 0.00 C ATOM 929 CZ PHE A 63 83.715 -5.182 7.701 1.00 0.00 C ATOM 0 H PHE A 63 82.621 -1.557 10.375 1.00 0.00 H new ATOM 0 HA PHE A 63 83.764 0.178 8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.115 -1.185 7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.312 -0.721 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.396 -3.217 9.232 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.122 -2.224 6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.295 -5.528 9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.020 -4.536 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.097 -6.192 7.713 1.00 0.00 H new ATOM 939 N SER A 64 81.992 1.942 8.561 1.00 0.00 N ATOM 940 CA SER A 64 81.103 3.051 8.896 1.00 0.00 C ATOM 941 C SER A 64 80.563 3.688 7.620 1.00 0.00 C ATOM 942 O SER A 64 81.151 3.526 6.554 1.00 0.00 O ATOM 943 CB SER A 64 81.867 4.101 9.705 1.00 0.00 C ATOM 944 OG SER A 64 80.949 4.930 10.402 1.00 0.00 O ATOM 0 H SER A 64 82.622 2.129 7.781 1.00 0.00 H new ATOM 0 HA SER A 64 80.271 2.671 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.539 3.612 10.411 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.486 4.705 9.042 1.00 0.00 H new ATOM 0 HG SER A 64 81.442 5.600 10.920 1.00 0.00 H new ATOM 950 N GLY A 65 79.380 4.289 7.695 1.00 0.00 N ATOM 951 CA GLY A 65 78.751 4.900 6.528 1.00 0.00 C ATOM 952 C GLY A 65 78.399 6.357 6.807 1.00 0.00 C ATOM 953 O GLY A 65 77.878 6.686 7.873 1.00 0.00 O ATOM 0 H GLY A 65 78.836 4.366 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.424 4.841 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.850 4.347 6.263 1.00 0.00 H new ATOM 957 N SER A 66 78.608 7.211 5.807 1.00 0.00 N ATOM 958 CA SER A 66 78.261 8.624 5.919 1.00 0.00 C ATOM 959 C SER A 66 77.793 9.163 4.571 1.00 0.00 C ATOM 960 O SER A 66 78.244 8.709 3.520 1.00 0.00 O ATOM 961 CB SER A 66 79.479 9.421 6.390 1.00 0.00 C ATOM 962 OG SER A 66 79.773 9.082 7.737 1.00 0.00 O ATOM 0 H SER A 66 79.016 6.948 4.910 1.00 0.00 H new ATOM 0 HA SER A 66 77.454 8.728 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.337 9.205 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 66 79.282 10.490 6.307 1.00 0.00 H new ATOM 0 HG SER A 66 80.554 9.591 8.039 1.00 0.00 H new ATOM 968 N ILE A 67 76.911 10.157 4.607 1.00 0.00 N ATOM 969 CA ILE A 67 76.352 10.738 3.390 1.00 0.00 C ATOM 970 C ILE A 67 76.579 12.245 3.357 1.00 0.00 C ATOM 971 O ILE A 67 76.541 12.916 4.389 1.00 0.00 O ATOM 972 CB ILE A 67 74.849 10.450 3.328 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.170 11.012 4.580 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.607 8.940 3.220 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.675 10.677 4.585 1.00 0.00 C ATOM 0 H ILE A 67 76.566 10.579 5.469 1.00 0.00 H new ATOM 0 HA ILE A 67 76.852 10.290 2.531 1.00 0.00 H new ATOM 0 HB ILE A 67 74.424 10.931 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.643 10.600 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.305 12.093 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.535 8.745 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.082 8.559 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.031 8.440 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.213 11.086 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.202 11.111 3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.545 9.595 4.571 1.00 0.00 H new ATOM 987 N ASP A 68 76.870 12.758 2.166 1.00 0.00 N ATOM 988 CA ASP A 68 77.158 14.178 1.985 1.00 0.00 C ATOM 989 C ASP A 68 76.214 14.787 0.954 1.00 0.00 C ATOM 990 O ASP A 68 76.527 14.826 -0.236 1.00 0.00 O ATOM 991 CB ASP A 68 78.594 14.332 1.487 1.00 0.00 C ATOM 992 CG ASP A 68 79.574 13.930 2.584 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.404 14.392 3.701 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.499 13.191 2.288 1.00 0.00 O ATOM 0 H ASP A 68 76.913 12.209 1.307 1.00 0.00 H new ATOM 0 HA ASP A 68 77.024 14.690 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.750 13.712 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.775 15.364 1.187 1.00 0.00 H new ATOM 999 N SER A 69 75.142 15.406 1.434 1.00 0.00 N ATOM 1000 CA SER A 69 74.198 16.069 0.542 1.00 0.00 C ATOM 1001 C SER A 69 74.884 17.203 -0.213 1.00 0.00 C ATOM 1002 O SER A 69 74.438 17.604 -1.288 1.00 0.00 O ATOM 1003 CB SER A 69 73.019 16.621 1.345 1.00 0.00 C ATOM 1004 OG SER A 69 73.459 17.694 2.164 1.00 0.00 O ATOM 0 H SER A 69 74.906 15.463 2.425 1.00 0.00 H new ATOM 0 HA SER A 69 73.831 15.339 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.235 16.964 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.586 15.834 1.962 1.00 0.00 H new ATOM 0 HG SER A 69 72.701 18.047 2.676 1.00 0.00 H new ATOM 1010 N SER A 70 75.951 17.737 0.373 1.00 0.00 N ATOM 1011 CA SER A 70 76.662 18.858 -0.231 1.00 0.00 C ATOM 1012 C SER A 70 77.584 18.386 -1.350 1.00 0.00 C ATOM 1013 O SER A 70 77.551 18.915 -2.461 1.00 0.00 O ATOM 1014 CB SER A 70 77.514 19.542 0.837 1.00 0.00 C ATOM 1015 OG SER A 70 76.702 19.872 1.954 1.00 0.00 O ATOM 0 H SER A 70 76.340 17.414 1.259 1.00 0.00 H new ATOM 0 HA SER A 70 75.925 19.546 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.325 18.883 1.146 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.973 20.443 0.429 1.00 0.00 H new ATOM 0 HG SER A 70 77.250 20.309 2.639 1.00 0.00 H new ATOM 1021 N SER A 71 78.408 17.390 -1.043 1.00 0.00 N ATOM 1022 CA SER A 71 79.352 16.866 -2.023 1.00 0.00 C ATOM 1023 C SER A 71 78.656 15.856 -2.925 1.00 0.00 C ATOM 1024 O SER A 71 79.206 15.427 -3.940 1.00 0.00 O ATOM 1025 CB SER A 71 80.520 16.178 -1.315 1.00 0.00 C ATOM 1026 OG SER A 71 81.541 15.903 -2.262 1.00 0.00 O ATOM 0 H SER A 71 78.442 16.933 -0.132 1.00 0.00 H new ATOM 0 HA SER A 71 79.727 17.697 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.906 16.816 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.183 15.253 -0.846 1.00 0.00 H new ATOM 0 HG SER A 71 81.137 15.734 -3.139 1.00 0.00 H new ATOM 1032 N ASN A 72 77.416 15.527 -2.580 1.00 0.00 N ATOM 1033 CA ASN A 72 76.647 14.583 -3.381 1.00 0.00 C ATOM 1034 C ASN A 72 77.393 13.258 -3.514 1.00 0.00 C ATOM 1035 O ASN A 72 77.309 12.596 -4.548 1.00 0.00 O ATOM 1036 CB ASN A 72 76.384 15.168 -4.771 1.00 0.00 C ATOM 1037 CG ASN A 72 75.211 14.454 -5.437 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.064 14.881 -5.302 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.423 13.357 -6.110 1.00 0.00 N ATOM 0 H ASN A 72 76.928 15.894 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 72 75.696 14.401 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.170 16.234 -4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.276 15.069 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.639 12.853 -6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.373 13.003 -6.222 1.00 0.00 H new ATOM 1046 N SER A 73 78.168 12.897 -2.493 1.00 0.00 N ATOM 1047 CA SER A 73 78.960 11.669 -2.534 1.00 0.00 C ATOM 1048 C SER A 73 78.928 10.961 -1.183 1.00 0.00 C ATOM 1049 O SER A 73 78.801 11.600 -0.141 1.00 0.00 O ATOM 1050 CB SER A 73 80.413 12.007 -2.881 1.00 0.00 C ATOM 1051 OG SER A 73 81.153 12.199 -1.684 1.00 0.00 O ATOM 0 H SER A 73 78.264 13.434 -1.631 1.00 0.00 H new ATOM 0 HA SER A 73 78.534 11.011 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.854 11.202 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.452 12.908 -3.494 1.00 0.00 H new ATOM 0 HG SER A 73 82.083 12.414 -1.905 1.00 0.00 H new ATOM 1057 N ALA A 74 79.003 9.633 -1.183 1.00 0.00 N ATOM 1058 CA ALA A 74 78.889 8.875 0.059 1.00 0.00 C ATOM 1059 C ALA A 74 80.267 8.367 0.465 1.00 0.00 C ATOM 1060 O ALA A 74 81.121 8.123 -0.388 1.00 0.00 O ATOM 1061 CB ALA A 74 77.947 7.684 -0.145 1.00 0.00 C ATOM 0 H ALA A 74 79.141 9.065 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 74 78.488 9.520 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.865 7.121 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.961 8.046 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.343 7.036 -0.927 1.00 0.00 H new ATOM 1067 N SER A 75 80.526 8.379 1.770 1.00 0.00 N ATOM 1068 CA SER A 75 81.850 8.045 2.292 1.00 0.00 C ATOM 1069 C SER A 75 81.747 7.137 3.514 1.00 0.00 C ATOM 1070 O SER A 75 80.932 7.381 4.402 1.00 0.00 O ATOM 1071 CB SER A 75 82.612 9.313 2.681 1.00 0.00 C ATOM 1072 OG SER A 75 82.488 10.279 1.648 1.00 0.00 O ATOM 0 H SER A 75 79.838 8.616 2.485 1.00 0.00 H new ATOM 0 HA SER A 75 82.388 7.521 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.219 9.713 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.663 9.080 2.851 1.00 0.00 H new ATOM 0 HG SER A 75 82.975 11.091 1.899 1.00 0.00 H new ATOM 1078 N LEU A 76 82.397 5.977 3.440 1.00 0.00 N ATOM 1079 CA LEU A 76 82.430 5.042 4.563 1.00 0.00 C ATOM 1080 C LEU A 76 83.787 5.107 5.260 1.00 0.00 C ATOM 1081 O LEU A 76 84.830 5.015 4.616 1.00 0.00 O ATOM 1082 CB LEU A 76 82.090 3.632 4.056 1.00 0.00 C ATOM 1083 CG LEU A 76 82.954 2.523 4.679 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.239 1.177 4.521 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.354 2.468 4.051 1.00 0.00 C ATOM 0 H LEU A 76 82.908 5.662 2.615 1.00 0.00 H new ATOM 0 HA LEU A 76 81.682 5.315 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.041 3.424 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.209 3.607 2.973 1.00 0.00 H new ATOM 0 HG LEU A 76 83.089 2.746 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.848 0.388 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.274 1.216 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.085 0.969 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.932 1.671 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.266 2.272 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.859 3.421 4.205 1.00 0.00 H new ATOM 1097 N THR A 77 83.766 5.159 6.588 1.00 0.00 N ATOM 1098 CA THR A 77 84.997 5.122 7.373 1.00 0.00 C ATOM 1099 C THR A 77 85.177 3.744 8.001 1.00 0.00 C ATOM 1100 O THR A 77 84.327 3.281 8.762 1.00 0.00 O ATOM 1101 CB THR A 77 84.932 6.194 8.468 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.153 7.284 8.001 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.334 6.692 8.830 1.00 0.00 C ATOM 0 H THR A 77 82.913 5.227 7.143 1.00 0.00 H new ATOM 0 HA THR A 77 85.848 5.321 6.721 1.00 0.00 H new ATOM 0 HB THR A 77 84.480 5.758 9.359 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.105 7.973 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.261 7.451 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.934 5.857 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 77 86.807 7.122 7.947 1.00 0.00 H new ATOM 1111 N ILE A 78 86.283 3.085 7.668 1.00 0.00 N ATOM 1112 CA ILE A 78 86.573 1.756 8.198 1.00 0.00 C ATOM 1113 C ILE A 78 87.672 1.857 9.252 1.00 0.00 C ATOM 1114 O ILE A 78 88.797 2.260 8.953 1.00 0.00 O ATOM 1115 CB ILE A 78 86.987 0.850 7.032 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.766 0.161 6.416 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.004 -0.214 7.460 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.098 -0.367 5.019 1.00 0.00 C ATOM 0 H ILE A 78 86.994 3.450 7.033 1.00 0.00 H new ATOM 0 HA ILE A 78 85.694 1.327 8.679 1.00 0.00 H new ATOM 0 HB ILE A 78 87.457 1.495 6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.444 -0.661 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.935 0.864 6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.267 -0.832 6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.900 0.273 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.569 -0.841 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.219 -0.854 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.397 0.462 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.914 -1.086 5.086 1.00 0.00 H new ATOM 1130 N SER A 79 87.374 1.343 10.441 1.00 0.00 N ATOM 1131 CA SER A 79 88.331 1.325 11.541 1.00 0.00 C ATOM 1132 C SER A 79 88.813 -0.097 11.809 1.00 0.00 C ATOM 1133 O SER A 79 88.013 -0.999 12.056 1.00 0.00 O ATOM 1134 CB SER A 79 87.672 1.892 12.800 1.00 0.00 C ATOM 1135 OG SER A 79 87.028 3.117 12.481 1.00 0.00 O ATOM 0 H SER A 79 86.469 0.930 10.668 1.00 0.00 H new ATOM 0 HA SER A 79 89.191 1.937 11.269 1.00 0.00 H new ATOM 0 HB2 SER A 79 86.949 1.180 13.198 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.421 2.053 13.576 1.00 0.00 H new ATOM 0 HG SER A 79 86.603 3.482 13.285 1.00 0.00 H new ATOM 1141 N GLY A 80 90.130 -0.280 11.791 1.00 0.00 N ATOM 1142 CA GLY A 80 90.721 -1.590 12.039 1.00 0.00 C ATOM 1143 C GLY A 80 90.833 -2.385 10.743 1.00 0.00 C ATOM 1144 O GLY A 80 90.183 -3.416 10.574 1.00 0.00 O ATOM 0 H GLY A 80 90.807 0.461 11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 80 91.709 -1.470 12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.112 -2.139 12.757 1.00 0.00 H new ATOM 1148 N LEU A 81 91.668 -1.900 9.829 1.00 0.00 N ATOM 1149 CA LEU A 81 91.880 -2.579 8.559 1.00 0.00 C ATOM 1150 C LEU A 81 92.571 -3.920 8.779 1.00 0.00 C ATOM 1151 O LEU A 81 93.607 -3.991 9.441 1.00 0.00 O ATOM 1152 CB LEU A 81 92.750 -1.667 7.695 1.00 0.00 C ATOM 1153 CG LEU A 81 93.123 -2.347 6.375 1.00 0.00 C ATOM 1154 CD1 LEU A 81 91.856 -2.717 5.595 1.00 0.00 C ATOM 1155 CD2 LEU A 81 94.016 -1.403 5.563 1.00 0.00 C ATOM 0 H LEU A 81 92.207 -1.042 9.945 1.00 0.00 H new ATOM 0 HA LEU A 81 90.927 -2.779 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 81 92.217 -0.738 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 81 93.656 -1.402 8.239 1.00 0.00 H new ATOM 0 HG LEU A 81 93.671 -3.268 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 92.134 -3.200 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.249 -3.400 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.283 -1.814 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.287 -1.879 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.477 -0.477 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 81 94.920 -1.180 6.130 1.00 0.00 H new ATOM 1167 N LYS A 82 92.075 -4.947 8.098 1.00 0.00 N ATOM 1168 CA LYS A 82 92.703 -6.263 8.141 1.00 0.00 C ATOM 1169 C LYS A 82 92.414 -7.035 6.856 1.00 0.00 C ATOM 1170 O LYS A 82 91.517 -6.680 6.093 1.00 0.00 O ATOM 1171 CB LYS A 82 92.187 -7.033 9.364 1.00 0.00 C ATOM 1172 CG LYS A 82 93.158 -6.929 10.546 1.00 0.00 C ATOM 1173 CD LYS A 82 94.505 -7.580 10.198 1.00 0.00 C ATOM 1174 CE LYS A 82 95.092 -8.304 11.412 1.00 0.00 C ATOM 1175 NZ LYS A 82 96.493 -8.711 11.109 1.00 0.00 N ATOM 0 H LYS A 82 91.242 -4.894 7.511 1.00 0.00 H new ATOM 0 HA LYS A 82 93.783 -6.144 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.213 -6.642 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.043 -8.081 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.311 -5.882 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.728 -7.416 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.371 -8.286 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 82 95.203 -6.818 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.071 -7.652 12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.490 -9.180 11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 96.897 -9.204 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 96.499 -9.347 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 97.062 -7.866 10.898 1.00 0.00 H new ATOM 1189 N THR A 83 93.152 -8.123 6.655 1.00 0.00 N ATOM 1190 CA THR A 83 92.957 -8.974 5.486 1.00 0.00 C ATOM 1191 C THR A 83 91.491 -9.351 5.335 1.00 0.00 C ATOM 1192 O THR A 83 90.995 -9.558 4.227 1.00 0.00 O ATOM 1193 CB THR A 83 93.806 -10.241 5.629 1.00 0.00 C ATOM 1194 OG1 THR A 83 93.672 -10.745 6.951 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.276 -9.906 5.361 1.00 0.00 C ATOM 0 H THR A 83 93.890 -8.436 7.286 1.00 0.00 H new ATOM 0 HA THR A 83 93.265 -8.424 4.597 1.00 0.00 H new ATOM 0 HB THR A 83 93.469 -10.990 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.212 -11.557 7.048 1.00 0.00 H new ATOM 0 HG21 THR A 83 95.879 -10.808 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.381 -9.512 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.616 -9.159 6.079 1.00 0.00 H new ATOM 1203 N GLU A 84 90.792 -9.342 6.461 1.00 0.00 N ATOM 1204 CA GLU A 84 89.366 -9.642 6.440 1.00 0.00 C ATOM 1205 C GLU A 84 88.667 -8.708 5.457 1.00 0.00 C ATOM 1206 O GLU A 84 87.522 -8.937 5.067 1.00 0.00 O ATOM 1207 CB GLU A 84 88.763 -9.466 7.836 1.00 0.00 C ATOM 1208 CG GLU A 84 87.426 -10.207 7.912 1.00 0.00 C ATOM 1209 CD GLU A 84 86.698 -9.841 9.201 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.112 -8.891 9.843 1.00 0.00 O ATOM 1211 OE2 GLU A 84 85.686 -10.463 9.479 1.00 0.00 O ATOM 0 H GLU A 84 91.177 -9.135 7.382 1.00 0.00 H new ATOM 0 HA GLU A 84 89.226 -10.677 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.448 -9.852 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.617 -8.407 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 84 86.809 -9.950 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.595 -11.283 7.873 1.00 0.00 H new ATOM 1218 N ASP A 85 89.378 -7.663 5.042 1.00 0.00 N ATOM 1219 CA ASP A 85 88.838 -6.695 4.093 1.00 0.00 C ATOM 1220 C ASP A 85 89.390 -6.971 2.700 1.00 0.00 C ATOM 1221 O ASP A 85 88.807 -6.545 1.703 1.00 0.00 O ATOM 1222 CB ASP A 85 89.211 -5.270 4.514 1.00 0.00 C ATOM 1223 CG ASP A 85 88.974 -5.078 6.008 1.00 0.00 C ATOM 1224 OD1 ASP A 85 88.773 -6.070 6.689 1.00 0.00 O ATOM 1225 OD2 ASP A 85 89.099 -3.953 6.462 1.00 0.00 O ATOM 0 H ASP A 85 90.330 -7.465 5.349 1.00 0.00 H new ATOM 0 HA ASP A 85 87.752 -6.790 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.257 -5.076 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.618 -4.550 3.950 1.00 0.00 H new ATOM 1230 N GLU A 86 90.520 -7.672 2.642 1.00 0.00 N ATOM 1231 CA GLU A 86 91.110 -8.030 1.358 1.00 0.00 C ATOM 1232 C GLU A 86 90.060 -8.613 0.419 1.00 0.00 C ATOM 1233 O GLU A 86 89.905 -9.831 0.334 1.00 0.00 O ATOM 1234 CB GLU A 86 92.211 -9.072 1.561 1.00 0.00 C ATOM 1235 CG GLU A 86 92.962 -9.278 0.245 1.00 0.00 C ATOM 1236 CD GLU A 86 94.132 -10.231 0.459 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.228 -10.786 1.541 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.923 -10.384 -0.457 1.00 0.00 O ATOM 0 H GLU A 86 91.038 -7.999 3.458 1.00 0.00 H new ATOM 0 HA GLU A 86 91.524 -7.123 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.900 -8.743 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.778 -10.014 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.287 -9.681 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.325 -8.321 -0.130 1.00 0.00 H new ATOM 1245 N ALA A 87 89.336 -7.746 -0.283 1.00 0.00 N ATOM 1246 CA ALA A 87 88.317 -8.211 -1.215 1.00 0.00 C ATOM 1247 C ALA A 87 87.746 -7.035 -2.002 1.00 0.00 C ATOM 1248 O ALA A 87 88.242 -5.912 -1.908 1.00 0.00 O ATOM 1249 CB ALA A 87 87.203 -8.943 -0.455 1.00 0.00 C ATOM 0 H ALA A 87 89.434 -6.732 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 87 88.773 -8.908 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.446 -9.287 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.624 -9.800 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.746 -8.264 0.265 1.00 0.00 H new ATOM 1255 N ASP A 88 86.660 -7.290 -2.726 1.00 0.00 N ATOM 1256 CA ASP A 88 85.998 -6.240 -3.492 1.00 0.00 C ATOM 1257 C ASP A 88 84.900 -5.580 -2.666 1.00 0.00 C ATOM 1258 O ASP A 88 84.522 -6.068 -1.602 1.00 0.00 O ATOM 1259 CB ASP A 88 85.401 -6.819 -4.777 1.00 0.00 C ATOM 1260 CG ASP A 88 86.372 -7.811 -5.409 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.536 -7.779 -5.049 1.00 0.00 O ATOM 1262 OD2 ASP A 88 85.939 -8.579 -6.252 1.00 0.00 O ATOM 0 H ASP A 88 86.222 -8.209 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 88 86.742 -5.486 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.456 -7.315 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.183 -6.015 -5.480 1.00 0.00 H new ATOM 1267 N TYR A 89 84.428 -4.437 -3.152 1.00 0.00 N ATOM 1268 CA TYR A 89 83.386 -3.669 -2.478 1.00 0.00 C ATOM 1269 C TYR A 89 82.264 -3.356 -3.463 1.00 0.00 C ATOM 1270 O TYR A 89 82.473 -3.339 -4.676 1.00 0.00 O ATOM 1271 CB TYR A 89 83.992 -2.372 -1.920 1.00 0.00 C ATOM 1272 CG TYR A 89 84.004 -2.386 -0.410 1.00 0.00 C ATOM 1273 CD1 TYR A 89 82.856 -2.014 0.298 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.136 -2.840 0.276 1.00 0.00 C ATOM 1275 CE1 TYR A 89 82.851 -2.065 1.697 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.147 -2.848 1.676 1.00 0.00 C ATOM 1277 CZ TYR A 89 83.986 -2.514 2.383 1.00 0.00 C ATOM 1278 OH TYR A 89 83.974 -2.582 3.760 1.00 0.00 O ATOM 0 H TYR A 89 84.756 -4.017 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 89 82.973 -4.249 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.009 -2.251 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.418 -1.516 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 89 81.975 -1.688 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.000 -3.184 -0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 89 81.973 -1.758 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.049 -3.111 2.209 1.00 0.00 H new ATOM 0 HH TYR A 89 84.748 -3.098 4.069 1.00 0.00 H new ATOM 1288 N TYR A 90 81.082 -3.072 -2.924 1.00 0.00 N ATOM 1289 CA TYR A 90 79.924 -2.714 -3.738 1.00 0.00 C ATOM 1290 C TYR A 90 79.144 -1.589 -3.058 1.00 0.00 C ATOM 1291 O TYR A 90 78.924 -1.630 -1.847 1.00 0.00 O ATOM 1292 CB TYR A 90 79.053 -3.963 -3.948 1.00 0.00 C ATOM 1293 CG TYR A 90 79.023 -4.378 -5.403 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.115 -5.051 -5.964 1.00 0.00 C ATOM 1295 CD2 TYR A 90 77.936 -4.014 -6.207 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.096 -5.404 -7.319 1.00 0.00 C ATOM 1297 CE2 TYR A 90 77.920 -4.362 -7.562 1.00 0.00 C ATOM 1298 CZ TYR A 90 79.004 -5.049 -8.121 1.00 0.00 C ATOM 1299 OH TYR A 90 78.993 -5.379 -9.461 1.00 0.00 O ATOM 0 H TYR A 90 80.900 -3.083 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 90 80.244 -2.351 -4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.438 -4.783 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.038 -3.763 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 90 80.971 -5.297 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.110 -3.464 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 90 80.924 -5.950 -7.746 1.00 0.00 H new ATOM 0 HE2 TYR A 90 77.071 -4.101 -8.177 1.00 0.00 H new ATOM 0 HH TYR A 90 78.162 -5.060 -9.870 1.00 0.00 H new ATOM 1309 N CYS A 91 78.596 -0.681 -3.863 1.00 0.00 N ATOM 1310 CA CYS A 91 77.774 0.421 -3.365 1.00 0.00 C ATOM 1311 C CYS A 91 76.372 0.257 -3.955 1.00 0.00 C ATOM 1312 O CYS A 91 76.227 -0.096 -5.126 1.00 0.00 O ATOM 1313 CB CYS A 91 78.348 1.781 -3.803 1.00 0.00 C ATOM 1314 SG CYS A 91 79.867 2.272 -2.933 1.00 0.00 S ATOM 0 H CYS A 91 78.709 -0.688 -4.877 1.00 0.00 H new ATOM 0 HA CYS A 91 77.754 0.397 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.552 1.748 -4.873 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.590 2.549 -3.647 1.00 0.00 H new ATOM 1319 N GLN A 92 75.333 0.549 -3.176 1.00 0.00 N ATOM 1320 CA GLN A 92 73.957 0.485 -3.667 1.00 0.00 C ATOM 1321 C GLN A 92 73.188 1.727 -3.225 1.00 0.00 C ATOM 1322 O GLN A 92 73.356 2.201 -2.101 1.00 0.00 O ATOM 1323 CB GLN A 92 73.239 -0.758 -3.128 1.00 0.00 C ATOM 1324 CG GLN A 92 73.984 -2.052 -3.494 1.00 0.00 C ATOM 1325 CD GLN A 92 73.082 -3.030 -4.242 1.00 0.00 C ATOM 1326 OE1 GLN A 92 71.936 -3.246 -3.847 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.526 -3.623 -5.316 1.00 0.00 N ATOM 0 H GLN A 92 75.417 0.833 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 92 73.992 0.433 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.149 -0.684 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.226 -0.796 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.850 -1.811 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.360 -2.525 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.476 -3.443 -5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.924 -4.266 -5.829 1.00 0.00 H new ATOM 1336 N SER A 93 72.285 2.202 -4.079 1.00 0.00 N ATOM 1337 CA SER A 93 71.505 3.399 -3.780 1.00 0.00 C ATOM 1338 C SER A 93 70.095 3.266 -4.347 1.00 0.00 C ATOM 1339 O SER A 93 69.797 2.321 -5.078 1.00 0.00 O ATOM 1340 CB SER A 93 72.186 4.636 -4.368 1.00 0.00 C ATOM 1341 OG SER A 93 72.441 4.436 -5.750 1.00 0.00 O ATOM 0 H SER A 93 72.076 1.777 -4.982 1.00 0.00 H new ATOM 0 HA SER A 93 71.443 3.510 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.552 5.512 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.120 4.832 -3.842 1.00 0.00 H new ATOM 0 HG SER A 93 72.876 5.232 -6.121 1.00 0.00 H new ATOM 1347 N TYR A 94 69.202 4.155 -3.919 1.00 0.00 N ATOM 1348 CA TYR A 94 67.811 4.124 -4.361 1.00 0.00 C ATOM 1349 C TYR A 94 67.478 5.405 -5.118 1.00 0.00 C ATOM 1350 O TYR A 94 67.898 6.496 -4.734 1.00 0.00 O ATOM 1351 CB TYR A 94 66.887 3.997 -3.145 1.00 0.00 C ATOM 1352 CG TYR A 94 66.836 2.560 -2.683 1.00 0.00 C ATOM 1353 CD1 TYR A 94 65.979 1.657 -3.324 1.00 0.00 C ATOM 1354 CD2 TYR A 94 67.626 2.135 -1.608 1.00 0.00 C ATOM 1355 CE1 TYR A 94 65.940 0.318 -2.917 1.00 0.00 C ATOM 1356 CE2 TYR A 94 67.565 0.803 -1.182 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.713 -0.102 -1.829 1.00 0.00 C ATOM 1358 OH TYR A 94 66.657 -1.416 -1.412 1.00 0.00 O ATOM 0 H TYR A 94 69.418 4.907 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 94 67.666 3.268 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.246 4.635 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.885 4.341 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.348 1.994 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 94 68.281 2.833 -1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.315 -0.389 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 94 68.175 0.473 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 94 66.460 -1.994 -2.178 1.00 0.00 H new ATOM 1368 N ASP A 95 66.692 5.263 -6.182 1.00 0.00 N ATOM 1369 CA ASP A 95 66.268 6.406 -6.984 1.00 0.00 C ATOM 1370 C ASP A 95 64.870 6.852 -6.571 1.00 0.00 C ATOM 1371 O ASP A 95 64.053 6.043 -6.130 1.00 0.00 O ATOM 1372 CB ASP A 95 66.265 6.025 -8.467 1.00 0.00 C ATOM 1373 CG ASP A 95 65.838 7.221 -9.312 1.00 0.00 C ATOM 1374 OD1 ASP A 95 66.079 8.339 -8.885 1.00 0.00 O ATOM 1375 OD2 ASP A 95 65.295 7.002 -10.382 1.00 0.00 O ATOM 0 H ASP A 95 66.335 4.365 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 95 66.966 7.227 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 95 67.259 5.693 -8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.585 5.189 -8.635 1.00 0.00 H new ATOM 1380 N SER A 96 64.594 8.138 -6.750 1.00 0.00 N ATOM 1381 CA SER A 96 63.293 8.685 -6.389 1.00 0.00 C ATOM 1382 C SER A 96 62.173 7.789 -6.905 1.00 0.00 C ATOM 1383 O SER A 96 61.084 7.743 -6.333 1.00 0.00 O ATOM 1384 CB SER A 96 63.140 10.088 -6.979 1.00 0.00 C ATOM 1385 OG SER A 96 61.771 10.462 -6.962 1.00 0.00 O ATOM 0 H SER A 96 65.248 8.817 -7.140 1.00 0.00 H new ATOM 0 HA SER A 96 63.228 8.737 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 96 63.730 10.802 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.521 10.108 -8.000 1.00 0.00 H new ATOM 0 HG SER A 96 61.673 11.361 -7.339 1.00 0.00 H new ATOM 1391 N SER A 97 62.439 7.097 -8.008 1.00 0.00 N ATOM 1392 CA SER A 97 61.446 6.212 -8.607 1.00 0.00 C ATOM 1393 C SER A 97 61.396 4.878 -7.867 1.00 0.00 C ATOM 1394 O SER A 97 60.884 3.887 -8.388 1.00 0.00 O ATOM 1395 CB SER A 97 61.787 5.977 -10.081 1.00 0.00 C ATOM 1396 OG SER A 97 63.177 5.714 -10.209 1.00 0.00 O ATOM 0 H SER A 97 63.330 7.131 -8.504 1.00 0.00 H new ATOM 0 HA SER A 97 60.467 6.685 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 97 61.210 5.138 -10.470 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.515 6.852 -10.672 1.00 0.00 H new ATOM 0 HG SER A 97 63.643 6.537 -10.465 1.00 0.00 H new ATOM 1402 N ASN A 98 61.925 4.862 -6.647 1.00 0.00 N ATOM 1403 CA ASN A 98 61.899 3.655 -5.829 1.00 0.00 C ATOM 1404 C ASN A 98 62.542 2.486 -6.567 1.00 0.00 C ATOM 1405 O ASN A 98 61.967 1.399 -6.636 1.00 0.00 O ATOM 1406 CB ASN A 98 60.455 3.299 -5.467 1.00 0.00 C ATOM 1407 CG ASN A 98 59.859 4.380 -4.572 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.502 4.822 -3.621 1.00 0.00 O ATOM 1409 ND2 ASN A 98 58.666 4.841 -4.827 1.00 0.00 N ATOM 0 H ASN A 98 62.374 5.665 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 98 62.466 3.848 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 98 59.859 3.197 -6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.426 2.336 -4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 98 58.264 5.570 -4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 98 58.135 4.473 -5.616 1.00 0.00 H new ATOM 1416 N HIS A 99 63.683 2.737 -7.204 1.00 0.00 N ATOM 1417 CA HIS A 99 64.380 1.709 -7.972 1.00 0.00 C ATOM 1418 C HIS A 99 65.713 1.355 -7.321 1.00 0.00 C ATOM 1419 O HIS A 99 66.249 2.127 -6.524 1.00 0.00 O ATOM 1420 CB HIS A 99 64.631 2.220 -9.394 1.00 0.00 C ATOM 1421 CG HIS A 99 64.937 1.064 -10.307 1.00 0.00 C ATOM 1422 ND1 HIS A 99 63.993 0.092 -10.596 1.00 0.00 N ATOM 1423 CD2 HIS A 99 66.068 0.709 -11.002 1.00 0.00 C ATOM 1424 CE1 HIS A 99 64.566 -0.798 -11.424 1.00 0.00 C ATOM 1425 NE2 HIS A 99 65.831 -0.473 -11.701 1.00 0.00 N ATOM 0 H HIS A 99 64.146 3.646 -7.203 1.00 0.00 H new ATOM 0 HA HIS A 99 63.758 0.815 -7.999 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.755 2.759 -9.756 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.462 2.925 -9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 99 66.997 1.261 -11.006 1.00 0.00 H new ATOM 0 HE1 HIS A 99 64.064 -1.670 -11.817 1.00 0.00 H new ATOM 0 HE2 HIS A 99 66.484 -0.981 -12.297 1.00 0.00 H new ATOM 1433 N VAL A 100 66.155 0.121 -7.539 1.00 0.00 N ATOM 1434 CA VAL A 100 67.433 -0.343 -7.009 1.00 0.00 C ATOM 1435 C VAL A 100 68.589 0.079 -7.911 1.00 0.00 C ATOM 1436 O VAL A 100 68.589 -0.210 -9.107 1.00 0.00 O ATOM 1437 CB VAL A 100 67.419 -1.867 -6.869 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.230 -2.519 -8.240 1.00 0.00 C ATOM 1439 CG2 VAL A 100 68.738 -2.335 -6.250 1.00 0.00 C ATOM 0 H VAL A 100 65.646 -0.578 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 100 67.578 0.113 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 100 66.591 -2.159 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.222 -3.603 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.284 -2.191 -8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.049 -2.228 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 100 68.728 -3.420 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.567 -2.037 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 100 68.860 -1.881 -5.266 1.00 0.00 H new ATOM 1449 N VAL A 101 69.595 0.726 -7.330 1.00 0.00 N ATOM 1450 CA VAL A 101 70.754 1.189 -8.084 1.00 0.00 C ATOM 1451 C VAL A 101 72.010 0.520 -7.532 1.00 0.00 C ATOM 1452 O VAL A 101 72.159 0.359 -6.321 1.00 0.00 O ATOM 1453 CB VAL A 101 70.867 2.712 -7.943 1.00 0.00 C ATOM 1454 CG1 VAL A 101 71.995 3.239 -8.837 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.541 3.403 -8.299 1.00 0.00 C ATOM 0 H VAL A 101 69.630 0.942 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 101 70.644 0.932 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 101 71.097 2.941 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.068 4.321 -8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 101 72.938 2.781 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 101 71.782 2.990 -9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.652 4.482 -8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.274 3.168 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.756 3.050 -7.631 1.00 0.00 H new ATOM 1465 N PHE A 102 72.913 0.126 -8.427 1.00 0.00 N ATOM 1466 CA PHE A 102 74.161 -0.525 -8.035 1.00 0.00 C ATOM 1467 C PHE A 102 75.353 0.154 -8.702 1.00 0.00 C ATOM 1468 O PHE A 102 75.237 0.696 -9.801 1.00 0.00 O ATOM 1469 CB PHE A 102 74.120 -1.999 -8.442 1.00 0.00 C ATOM 1470 CG PHE A 102 73.901 -2.103 -9.933 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.643 -1.805 -10.472 1.00 0.00 C ATOM 1472 CD2 PHE A 102 74.965 -2.433 -10.781 1.00 0.00 C ATOM 1473 CE1 PHE A 102 72.435 -1.893 -11.854 1.00 0.00 C ATOM 1474 CE2 PHE A 102 74.751 -2.547 -12.160 1.00 0.00 C ATOM 1475 CZ PHE A 102 73.493 -2.250 -12.698 1.00 0.00 C ATOM 0 H PHE A 102 72.803 0.247 -9.434 1.00 0.00 H new ATOM 0 HA PHE A 102 74.272 -0.444 -6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.053 -2.490 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 102 73.320 -2.512 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 102 71.834 -1.507 -9.822 1.00 0.00 H new ATOM 0 HD2 PHE A 102 75.950 -2.600 -10.372 1.00 0.00 H new ATOM 0 HE1 PHE A 102 71.459 -1.686 -12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 102 75.555 -2.864 -12.808 1.00 0.00 H new ATOM 0 HZ PHE A 102 73.339 -2.296 -13.766 1.00 0.00 H new ATOM 1485 N GLY A 103 76.489 0.165 -8.010 1.00 0.00 N ATOM 1486 CA GLY A 103 77.702 0.779 -8.541 1.00 0.00 C ATOM 1487 C GLY A 103 78.649 -0.276 -9.101 1.00 0.00 C ATOM 1488 O GLY A 103 78.594 -1.443 -8.712 1.00 0.00 O ATOM 0 H GLY A 103 76.595 -0.244 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.441 1.491 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.204 1.342 -7.754 1.00 0.00 H new ATOM 1492 N GLY A 104 79.594 0.169 -9.922 1.00 0.00 N ATOM 1493 CA GLY A 104 80.574 -0.738 -10.507 1.00 0.00 C ATOM 1494 C GLY A 104 81.349 -1.466 -9.414 1.00 0.00 C ATOM 1495 O GLY A 104 81.898 -2.544 -9.640 1.00 0.00 O ATOM 0 H GLY A 104 79.702 1.146 -10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.071 -1.462 -11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.264 -0.179 -11.139 1.00 0.00 H new ATOM 1499 N GLY A 105 81.378 -0.869 -8.226 1.00 0.00 N ATOM 1500 CA GLY A 105 82.079 -1.459 -7.091 1.00 0.00 C ATOM 1501 C GLY A 105 83.537 -1.013 -7.063 1.00 0.00 C ATOM 1502 O GLY A 105 83.948 -0.160 -7.849 1.00 0.00 O ATOM 0 H GLY A 105 80.924 0.022 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.587 -1.168 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.028 -2.546 -7.151 1.00 0.00 H new ATOM 1506 N THR A 106 84.284 -1.507 -6.080 1.00 0.00 N ATOM 1507 CA THR A 106 85.682 -1.120 -5.915 1.00 0.00 C ATOM 1508 C THR A 106 86.512 -2.313 -5.453 1.00 0.00 C ATOM 1509 O THR A 106 86.114 -3.037 -4.541 1.00 0.00 O ATOM 1510 CB THR A 106 85.787 0.006 -4.883 1.00 0.00 C ATOM 1511 OG1 THR A 106 84.788 0.979 -5.151 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.166 0.669 -4.962 1.00 0.00 C ATOM 0 H THR A 106 83.946 -2.175 -5.387 1.00 0.00 H new ATOM 0 HA THR A 106 86.065 -0.773 -6.875 1.00 0.00 H new ATOM 0 HB THR A 106 85.647 -0.411 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 106 84.850 1.702 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.228 1.468 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.939 -0.073 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.314 1.084 -5.959 1.00 0.00 H new ATOM 1520 N LYS A 107 87.674 -2.502 -6.072 1.00 0.00 N ATOM 1521 CA LYS A 107 88.563 -3.599 -5.702 1.00 0.00 C ATOM 1522 C LYS A 107 89.527 -3.167 -4.602 1.00 0.00 C ATOM 1523 O LYS A 107 90.505 -2.469 -4.866 1.00 0.00 O ATOM 1524 CB LYS A 107 89.363 -4.072 -6.918 1.00 0.00 C ATOM 1525 CG LYS A 107 90.322 -5.183 -6.484 1.00 0.00 C ATOM 1526 CD LYS A 107 90.939 -5.847 -7.716 1.00 0.00 C ATOM 1527 CE LYS A 107 91.868 -6.974 -7.259 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.400 -7.697 -8.448 1.00 0.00 N ATOM 0 H LYS A 107 88.021 -1.913 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 107 87.947 -4.419 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.689 -4.438 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 107 89.921 -3.240 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.107 -4.771 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.789 -5.924 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.156 -6.243 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.495 -5.114 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.690 -6.565 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.327 -7.665 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.031 -8.462 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 91.610 -8.100 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.931 -7.034 -9.048 1.00 0.00 H new ATOM 1542 N LEU A 108 89.220 -3.539 -3.364 1.00 0.00 N ATOM 1543 CA LEU A 108 90.109 -3.243 -2.247 1.00 0.00 C ATOM 1544 C LEU A 108 91.104 -4.377 -2.020 1.00 0.00 C ATOM 1545 O LEU A 108 90.710 -5.520 -1.784 1.00 0.00 O ATOM 1546 CB LEU A 108 89.261 -3.031 -0.991 1.00 0.00 C ATOM 1547 CG LEU A 108 90.122 -2.497 0.157 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.532 -1.048 -0.113 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.319 -2.558 1.458 1.00 0.00 C ATOM 0 H LEU A 108 88.370 -4.042 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 108 90.680 -2.342 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.454 -2.330 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.796 -3.972 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 108 91.020 -3.109 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.144 -0.683 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.105 -0.999 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.640 -0.429 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.927 -2.179 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.421 -1.948 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.036 -3.590 1.663 1.00 0.00 H new ATOM 1561 N THR A 109 92.385 -4.026 -1.933 1.00 0.00 N ATOM 1562 CA THR A 109 93.433 -5.014 -1.689 1.00 0.00 C ATOM 1563 C THR A 109 94.228 -4.650 -0.439 1.00 0.00 C ATOM 1564 O THR A 109 94.534 -3.484 -0.197 1.00 0.00 O ATOM 1565 CB THR A 109 94.378 -5.078 -2.892 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.683 -5.611 -4.010 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.579 -5.971 -2.572 1.00 0.00 C ATOM 0 H THR A 109 92.722 -3.068 -2.028 1.00 0.00 H new ATOM 0 HA THR A 109 92.964 -5.987 -1.540 1.00 0.00 H new ATOM 0 HB THR A 109 94.731 -4.072 -3.120 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.286 -5.651 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.244 -6.009 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.117 -5.564 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.232 -6.977 -2.337 1.00 0.00 H new ATOM 1575 N VAL A 110 94.506 -5.651 0.390 1.00 0.00 N ATOM 1576 CA VAL A 110 95.264 -5.440 1.619 1.00 0.00 C ATOM 1577 C VAL A 110 96.577 -6.215 1.573 1.00 0.00 C ATOM 1578 O VAL A 110 96.598 -7.403 1.251 1.00 0.00 O ATOM 1579 CB VAL A 110 94.437 -5.890 2.825 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.192 -5.556 4.112 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.092 -5.162 2.822 1.00 0.00 C ATOM 0 H VAL A 110 94.218 -6.617 0.233 1.00 0.00 H new ATOM 0 HA VAL A 110 95.488 -4.377 1.713 1.00 0.00 H new ATOM 0 HB VAL A 110 94.269 -6.965 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.604 -5.876 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.151 -6.073 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.359 -4.480 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.503 -5.483 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.260 -4.087 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.553 -5.397 1.904 1.00 0.00 H new ATOM 1591 N LEU A 111 97.673 -5.525 1.874 1.00 0.00 N ATOM 1592 CA LEU A 111 99.001 -6.131 1.848 1.00 0.00 C ATOM 1593 C LEU A 111 99.845 -5.599 3.002 1.00 0.00 C ATOM 1594 O LEU A 111 100.714 -6.347 3.454 1.00 0.00 O ATOM 1595 CB LEU A 111 99.692 -5.854 0.507 1.00 0.00 C ATOM 1596 CG LEU A 111 99.186 -4.541 -0.099 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.441 -3.381 0.869 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.912 -4.282 -1.423 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.630 -4.488 3.414 1.00 0.00 O ATOM 0 H LEU A 111 97.667 -4.540 2.140 1.00 0.00 H new ATOM 0 HA LEU A 111 98.893 -7.210 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.771 -5.802 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 111 99.502 -6.676 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 111 98.114 -4.617 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.078 -2.453 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.917 -3.567 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.510 -3.297 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.555 -3.348 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.985 -4.211 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.714 -5.102 -2.113 1.00 0.00 H new