USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 975 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 2 GLN : amide:sc= 0.0377 X(o=0.074,f=0.092) USER MOD Set 1.2: A 112 TYR OH : rot 172:sc= 0.0363 USER MOD Set 2.1: A 83 GLN : amide:sc= -0.207 K(o=-0.22,f=-1.1) USER MOD Set 2.2: A 85 ASN : amide:sc= -0.0144 K(o=-0.22,f=-2.3) USER MOD Set 3.1: A 14 GLN : amide:sc= -0.125 K(o=0.85,f=-3.5!) USER MOD Set 3.2: A 126 HIS : no HD1:sc= 0.97 K(o=0.85,f=-6.5!) USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0.495 USER MOD Set 4.2: A 22 SER OG : rot 60:sc= 0.539 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0257) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 57:sc= -4.29! USER MOD Single : A 26 SER OG : rot 180:sc= 0.343 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -11:sc= -0.405 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 MET CE :methyl -170:sc= -0.518 (180deg=-1.04) USER MOD Single : A 40 GLN : amide:sc= -0.126 K(o=-0.13,f=-5.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 58 SER OG : rot -145:sc= 0.959 USER MOD Single : A 59 THR OG1 : rot 42:sc= 0.0746 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= -0.327 (180deg=-2.41!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -100:sc= 0.142 USER MOD Single : A 75 ASN : amide:sc= 0.71 K(o=0.71,f=-3.8!) USER MOD Single : A 77 LYS NZ :NH3+ -111:sc= 0.284 (180deg=-0.931) USER MOD Single : A 78 ASN : amide:sc= -1.83! C(o=-1.8!,f=-3.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -109:sc= -0.141 (180deg=-3.71!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 89:sc= 0.523 USER MOD Single : A 95 TYR OH : rot -155:sc= 0.0621 USER MOD Single : A 97 CYS SG : rot 22:sc= 0.452 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 40:sc= 0.372 USER MOD Single : A 115 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 118 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.69) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 150:sc= -1.38 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.032 -0.695 -1.833 1.00 0.00 N ATOM 2 CA MET A 1 2.885 0.340 -2.458 1.00 0.00 C ATOM 3 C MET A 1 2.114 1.005 -3.610 1.00 0.00 C ATOM 4 O MET A 1 2.122 0.513 -4.746 1.00 0.00 O ATOM 5 CB MET A 1 4.223 -0.270 -2.965 1.00 0.00 C ATOM 6 CG MET A 1 5.108 -0.889 -1.873 1.00 0.00 C ATOM 7 SD MET A 1 5.633 0.316 -0.625 1.00 0.00 S ATOM 8 CE MET A 1 6.638 -0.694 0.471 1.00 0.00 C ATOM 0 H1 MET A 1 2.517 -1.088 -1.001 1.00 0.00 H new ATOM 0 H2 MET A 1 1.129 -0.270 -1.539 1.00 0.00 H new ATOM 0 H3 MET A 1 1.850 -1.455 -2.519 1.00 0.00 H new ATOM 0 HA MET A 1 3.134 1.094 -1.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.998 -1.036 -3.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.791 0.509 -3.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.563 -1.696 -1.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.989 -1.334 -2.335 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.023 -0.077 1.283 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.030 -1.499 0.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.471 -1.119 -0.088 1.00 0.00 H new ATOM 20 N GLN A 2 1.404 2.099 -3.293 1.00 0.00 N ATOM 21 CA GLN A 2 0.625 2.864 -4.277 1.00 0.00 C ATOM 22 C GLN A 2 1.562 3.705 -5.151 1.00 0.00 C ATOM 23 O GLN A 2 2.591 4.202 -4.665 1.00 0.00 O ATOM 24 CB GLN A 2 -0.397 3.773 -3.555 1.00 0.00 C ATOM 25 CG GLN A 2 -1.431 3.003 -2.712 1.00 0.00 C ATOM 26 CD GLN A 2 -2.497 3.912 -2.111 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.533 4.165 -2.727 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.251 4.413 -0.912 1.00 0.00 N ATOM 0 H GLN A 2 1.354 2.477 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 2 0.082 2.168 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.141 4.466 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.923 4.373 -4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.912 2.249 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.917 2.473 -1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.382 4.182 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.931 5.031 -0.468 1.00 0.00 H new ATOM 37 N LEU A 3 1.216 3.852 -6.438 1.00 0.00 N ATOM 38 CA LEU A 3 2.033 4.634 -7.370 1.00 0.00 C ATOM 39 C LEU A 3 1.801 6.128 -7.142 1.00 0.00 C ATOM 40 O LEU A 3 0.716 6.650 -7.410 1.00 0.00 O ATOM 41 CB LEU A 3 1.759 4.239 -8.852 1.00 0.00 C ATOM 42 CG LEU A 3 2.407 2.907 -9.329 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.923 2.926 -9.053 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.717 1.673 -8.711 1.00 0.00 C ATOM 0 H LEU A 3 0.380 3.441 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 3 3.081 4.409 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.681 4.169 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.114 5.045 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 3 2.261 2.824 -10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.366 1.989 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.380 3.758 -9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.097 3.045 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.202 0.766 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.795 1.719 -7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.666 1.661 -8.999 1.00 0.00 H new ATOM 56 N GLN A 4 2.834 6.791 -6.610 1.00 0.00 N ATOM 57 CA GLN A 4 2.860 8.236 -6.438 1.00 0.00 C ATOM 58 C GLN A 4 3.847 8.800 -7.466 1.00 0.00 C ATOM 59 O GLN A 4 5.066 8.630 -7.324 1.00 0.00 O ATOM 60 CB GLN A 4 3.270 8.596 -4.976 1.00 0.00 C ATOM 61 CG GLN A 4 2.452 7.854 -3.890 1.00 0.00 C ATOM 62 CD GLN A 4 2.840 8.232 -2.458 1.00 0.00 C ATOM 63 OE1 GLN A 4 2.266 9.142 -1.859 1.00 0.00 O ATOM 64 NE2 GLN A 4 3.839 7.555 -1.911 1.00 0.00 N ATOM 0 H GLN A 4 3.683 6.328 -6.285 1.00 0.00 H new ATOM 0 HA GLN A 4 1.875 8.673 -6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.327 8.367 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.155 9.670 -4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.393 8.066 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.583 6.780 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.294 6.806 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.153 7.782 -0.968 1.00 0.00 H new ATOM 73 N LEU A 5 3.310 9.435 -8.513 1.00 0.00 N ATOM 74 CA LEU A 5 4.099 9.868 -9.672 1.00 0.00 C ATOM 75 C LEU A 5 4.555 11.319 -9.479 1.00 0.00 C ATOM 76 O LEU A 5 3.762 12.251 -9.632 1.00 0.00 O ATOM 77 CB LEU A 5 3.243 9.700 -10.959 1.00 0.00 C ATOM 78 CG LEU A 5 2.778 8.241 -11.281 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.865 8.211 -12.521 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.987 7.283 -11.448 1.00 0.00 C ATOM 0 H LEU A 5 2.318 9.663 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 5 4.994 9.253 -9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.359 10.332 -10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.818 10.074 -11.806 1.00 0.00 H new ATOM 0 HG LEU A 5 2.196 7.886 -10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.557 7.185 -12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.983 8.825 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.408 8.602 -13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.627 6.279 -11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.618 7.632 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.567 7.264 -10.525 1.00 0.00 H new ATOM 92 N VAL A 6 5.853 11.497 -9.171 1.00 0.00 N ATOM 93 CA VAL A 6 6.455 12.814 -8.897 1.00 0.00 C ATOM 94 C VAL A 6 7.162 13.300 -10.173 1.00 0.00 C ATOM 95 O VAL A 6 8.245 12.819 -10.520 1.00 0.00 O ATOM 96 CB VAL A 6 7.480 12.745 -7.699 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.078 14.140 -7.376 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.825 12.108 -6.448 1.00 0.00 C ATOM 0 H VAL A 6 6.517 10.726 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 6 5.668 13.511 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 6 8.307 12.105 -8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.779 14.052 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.600 14.524 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.276 14.825 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.551 12.071 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.968 12.707 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.495 11.097 -6.685 1.00 0.00 H new ATOM 108 N GLU A 7 6.528 14.253 -10.864 1.00 0.00 N ATOM 109 CA GLU A 7 6.962 14.713 -12.190 1.00 0.00 C ATOM 110 C GLU A 7 7.830 15.975 -12.088 1.00 0.00 C ATOM 111 O GLU A 7 7.594 16.836 -11.229 1.00 0.00 O ATOM 112 CB GLU A 7 5.730 14.978 -13.077 1.00 0.00 C ATOM 113 CG GLU A 7 4.811 13.757 -13.233 1.00 0.00 C ATOM 114 CD GLU A 7 3.623 14.026 -14.154 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.560 14.463 -13.656 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.751 13.806 -15.373 1.00 0.00 O ATOM 0 H GLU A 7 5.695 14.730 -10.519 1.00 0.00 H new ATOM 0 HA GLU A 7 7.571 13.930 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.157 15.802 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.065 15.299 -14.063 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.389 12.921 -13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.444 13.456 -12.252 1.00 0.00 H new ATOM 123 N SER A 8 8.797 16.088 -13.010 1.00 0.00 N ATOM 124 CA SER A 8 9.794 17.170 -13.035 1.00 0.00 C ATOM 125 C SER A 8 10.220 17.456 -14.487 1.00 0.00 C ATOM 126 O SER A 8 10.082 16.591 -15.365 1.00 0.00 O ATOM 127 CB SER A 8 11.009 16.772 -12.163 1.00 0.00 C ATOM 128 OG SER A 8 11.524 15.504 -12.538 1.00 0.00 O ATOM 0 H SER A 8 8.911 15.420 -13.772 1.00 0.00 H new ATOM 0 HA SER A 8 9.360 18.082 -12.625 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.790 17.526 -12.259 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.714 16.751 -11.114 1.00 0.00 H new ATOM 0 HG SER A 8 12.291 15.282 -11.970 1.00 0.00 H new ATOM 134 N GLY A 9 10.747 18.669 -14.726 1.00 0.00 N ATOM 135 CA GLY A 9 11.114 19.128 -16.074 1.00 0.00 C ATOM 136 C GLY A 9 10.111 20.135 -16.635 1.00 0.00 C ATOM 137 O GLY A 9 10.285 20.625 -17.754 1.00 0.00 O ATOM 0 H GLY A 9 10.929 19.355 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.104 19.583 -16.044 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.177 18.270 -16.743 1.00 0.00 H new ATOM 141 N GLY A 10 9.056 20.439 -15.847 1.00 0.00 N ATOM 142 CA GLY A 10 8.030 21.413 -16.240 1.00 0.00 C ATOM 143 C GLY A 10 8.566 22.843 -16.295 1.00 0.00 C ATOM 144 O GLY A 10 9.032 23.372 -15.281 1.00 0.00 O ATOM 0 H GLY A 10 8.898 20.018 -14.932 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.632 21.141 -17.217 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.201 21.367 -15.534 1.00 0.00 H new ATOM 148 N GLY A 11 8.512 23.452 -17.488 1.00 0.00 N ATOM 149 CA GLY A 11 9.007 24.811 -17.710 1.00 0.00 C ATOM 150 C GLY A 11 8.586 25.331 -19.069 1.00 0.00 C ATOM 151 O GLY A 11 7.720 24.729 -19.725 1.00 0.00 O ATOM 0 H GLY A 11 8.124 23.014 -18.323 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.626 25.471 -16.931 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.094 24.822 -17.634 1.00 0.00 H new ATOM 155 N LEU A 12 9.192 26.448 -19.502 1.00 0.00 N ATOM 156 CA LEU A 12 8.863 27.087 -20.784 1.00 0.00 C ATOM 157 C LEU A 12 9.964 26.820 -21.815 1.00 0.00 C ATOM 158 O LEU A 12 11.138 27.116 -21.575 1.00 0.00 O ATOM 159 CB LEU A 12 8.611 28.610 -20.593 1.00 0.00 C ATOM 160 CG LEU A 12 8.043 29.412 -21.829 1.00 0.00 C ATOM 161 CD1 LEU A 12 7.121 30.566 -21.379 1.00 0.00 C ATOM 162 CD2 LEU A 12 9.174 29.961 -22.741 1.00 0.00 C ATOM 0 H LEU A 12 9.920 26.931 -18.976 1.00 0.00 H new ATOM 0 HA LEU A 12 7.940 26.649 -21.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.917 28.735 -19.762 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.552 29.073 -20.295 1.00 0.00 H new ATOM 0 HG LEU A 12 7.456 28.702 -22.412 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.748 31.097 -22.255 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.281 30.161 -20.815 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.683 31.256 -20.749 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.735 30.505 -23.577 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.812 30.632 -22.166 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.770 29.131 -23.121 1.00 0.00 H new ATOM 174 N VAL A 13 9.559 26.251 -22.957 1.00 0.00 N ATOM 175 CA VAL A 13 10.405 26.086 -24.146 1.00 0.00 C ATOM 176 C VAL A 13 9.776 26.862 -25.310 1.00 0.00 C ATOM 177 O VAL A 13 8.609 27.251 -25.244 1.00 0.00 O ATOM 178 CB VAL A 13 10.595 24.566 -24.536 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.363 23.805 -23.431 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.241 23.873 -24.852 1.00 0.00 C ATOM 0 H VAL A 13 8.615 25.885 -23.083 1.00 0.00 H new ATOM 0 HA VAL A 13 11.397 26.479 -23.922 1.00 0.00 H new ATOM 0 HB VAL A 13 11.191 24.538 -25.448 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.481 22.761 -23.723 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.345 24.257 -23.294 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.805 23.860 -22.496 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.419 22.830 -25.115 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.594 23.921 -23.976 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.759 24.381 -25.687 1.00 0.00 H new ATOM 190 N GLN A 14 10.567 27.114 -26.352 1.00 0.00 N ATOM 191 CA GLN A 14 10.083 27.731 -27.596 1.00 0.00 C ATOM 192 C GLN A 14 9.592 26.638 -28.571 1.00 0.00 C ATOM 193 O GLN A 14 10.018 25.473 -28.482 1.00 0.00 O ATOM 194 CB GLN A 14 11.184 28.622 -28.261 1.00 0.00 C ATOM 195 CG GLN A 14 12.393 27.888 -28.907 1.00 0.00 C ATOM 196 CD GLN A 14 13.311 27.139 -27.935 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.424 27.483 -26.760 1.00 0.00 O ATOM 198 NE2 GLN A 14 14.006 26.136 -28.432 1.00 0.00 N ATOM 0 H GLN A 14 11.564 26.897 -26.362 1.00 0.00 H new ATOM 0 HA GLN A 14 9.246 28.384 -27.350 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.708 29.231 -29.029 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.568 29.306 -27.504 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.013 27.177 -29.641 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.990 28.619 -29.452 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.892 25.872 -29.411 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.658 25.623 -27.838 1.00 0.00 H new ATOM 207 N ALA A 15 8.687 27.033 -29.484 1.00 0.00 N ATOM 208 CA ALA A 15 8.137 26.151 -30.532 1.00 0.00 C ATOM 209 C ALA A 15 9.251 25.676 -31.486 1.00 0.00 C ATOM 210 O ALA A 15 9.816 26.484 -32.230 1.00 0.00 O ATOM 211 CB ALA A 15 7.027 26.886 -31.307 1.00 0.00 C ATOM 0 H ALA A 15 8.313 27.981 -29.517 1.00 0.00 H new ATOM 0 HA ALA A 15 7.706 25.269 -30.058 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.626 26.229 -32.079 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.229 27.168 -30.620 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.439 27.782 -31.771 1.00 0.00 H new ATOM 217 N GLY A 16 9.568 24.369 -31.439 1.00 0.00 N ATOM 218 CA GLY A 16 10.662 23.782 -32.233 1.00 0.00 C ATOM 219 C GLY A 16 11.822 23.286 -31.376 1.00 0.00 C ATOM 220 O GLY A 16 12.672 22.527 -31.861 1.00 0.00 O ATOM 0 H GLY A 16 9.076 23.694 -30.853 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.271 22.952 -32.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.031 24.526 -32.938 1.00 0.00 H new ATOM 224 N GLY A 17 11.844 23.698 -30.097 1.00 0.00 N ATOM 225 CA GLY A 17 12.834 23.208 -29.133 1.00 0.00 C ATOM 226 C GLY A 17 12.445 21.862 -28.532 1.00 0.00 C ATOM 227 O GLY A 17 11.334 21.387 -28.752 1.00 0.00 O ATOM 0 H GLY A 17 11.183 24.372 -29.709 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.802 23.116 -29.626 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.951 23.939 -28.333 1.00 0.00 H new ATOM 231 N SER A 18 13.368 21.238 -27.781 1.00 0.00 N ATOM 232 CA SER A 18 13.135 19.942 -27.113 1.00 0.00 C ATOM 233 C SER A 18 12.941 20.140 -25.595 1.00 0.00 C ATOM 234 O SER A 18 13.637 20.945 -24.974 1.00 0.00 O ATOM 235 CB SER A 18 14.316 18.981 -27.396 1.00 0.00 C ATOM 236 OG SER A 18 15.553 19.545 -27.002 1.00 0.00 O ATOM 0 H SER A 18 14.301 21.618 -27.618 1.00 0.00 H new ATOM 0 HA SER A 18 12.223 19.499 -27.513 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.158 18.043 -26.864 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.346 18.744 -28.459 1.00 0.00 H new ATOM 0 HG SER A 18 16.277 18.912 -27.193 1.00 0.00 H new ATOM 242 N LEU A 19 11.977 19.404 -25.027 1.00 0.00 N ATOM 243 CA LEU A 19 11.695 19.365 -23.588 1.00 0.00 C ATOM 244 C LEU A 19 11.557 17.902 -23.141 1.00 0.00 C ATOM 245 O LEU A 19 10.844 17.115 -23.772 1.00 0.00 O ATOM 246 CB LEU A 19 10.401 20.159 -23.267 1.00 0.00 C ATOM 247 CG LEU A 19 10.011 20.264 -21.758 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.165 20.854 -20.917 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.713 21.081 -21.580 1.00 0.00 C ATOM 0 H LEU A 19 11.356 18.804 -25.570 1.00 0.00 H new ATOM 0 HA LEU A 19 12.517 19.831 -23.045 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.512 21.168 -23.663 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.573 19.695 -23.803 1.00 0.00 H new ATOM 0 HG LEU A 19 9.824 19.255 -21.391 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.860 20.913 -19.872 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.043 20.213 -21.003 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.407 21.852 -21.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.462 21.140 -20.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.859 22.086 -21.975 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.900 20.594 -22.119 1.00 0.00 H new ATOM 261 N ARG A 20 12.259 17.549 -22.058 1.00 0.00 N ATOM 262 CA ARG A 20 12.230 16.207 -21.468 1.00 0.00 C ATOM 263 C ARG A 20 11.546 16.263 -20.100 1.00 0.00 C ATOM 264 O ARG A 20 11.898 17.091 -19.252 1.00 0.00 O ATOM 265 CB ARG A 20 13.667 15.651 -21.307 1.00 0.00 C ATOM 266 CG ARG A 20 13.743 14.194 -20.778 1.00 0.00 C ATOM 267 CD ARG A 20 15.184 13.760 -20.452 1.00 0.00 C ATOM 268 NE ARG A 20 15.791 14.610 -19.408 1.00 0.00 N ATOM 269 CZ ARG A 20 17.105 14.767 -19.188 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.005 14.163 -19.957 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.506 15.549 -18.200 1.00 0.00 N ATOM 0 H ARG A 20 12.871 18.196 -21.561 1.00 0.00 H new ATOM 0 HA ARG A 20 11.672 15.546 -22.132 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.171 15.699 -22.272 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.219 16.299 -20.626 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.128 14.103 -19.882 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.323 13.518 -21.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.184 12.722 -20.121 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.791 13.806 -21.356 1.00 0.00 H new ATOM 0 HE ARG A 20 15.154 15.124 -18.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.700 13.569 -20.728 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.000 14.293 -19.776 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.819 16.025 -17.615 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.502 15.676 -18.023 1.00 0.00 H new ATOM 285 N LEU A 21 10.545 15.405 -19.906 1.00 0.00 N ATOM 286 CA LEU A 21 9.907 15.184 -18.609 1.00 0.00 C ATOM 287 C LEU A 21 10.485 13.910 -17.980 1.00 0.00 C ATOM 288 O LEU A 21 10.901 12.985 -18.689 1.00 0.00 O ATOM 289 CB LEU A 21 8.355 15.072 -18.752 1.00 0.00 C ATOM 290 CG LEU A 21 7.578 16.398 -19.057 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.876 17.476 -18.003 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.851 16.915 -20.483 1.00 0.00 C ATOM 0 H LEU A 21 10.149 14.837 -20.655 1.00 0.00 H new ATOM 0 HA LEU A 21 10.112 16.038 -17.963 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.137 14.360 -19.548 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.958 14.650 -17.829 1.00 0.00 H new ATOM 0 HG LEU A 21 6.515 16.164 -19.002 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.322 18.383 -18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.574 17.116 -17.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.944 17.694 -17.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.292 17.836 -20.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.917 17.111 -20.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.538 16.164 -21.208 1.00 0.00 H new ATOM 304 N SER A 22 10.530 13.892 -16.650 1.00 0.00 N ATOM 305 CA SER A 22 10.974 12.739 -15.864 1.00 0.00 C ATOM 306 C SER A 22 10.036 12.579 -14.661 1.00 0.00 C ATOM 307 O SER A 22 9.864 13.512 -13.872 1.00 0.00 O ATOM 308 CB SER A 22 12.443 12.942 -15.418 1.00 0.00 C ATOM 309 OG SER A 22 12.647 14.227 -14.844 1.00 0.00 O ATOM 0 H SER A 22 10.255 14.690 -16.077 1.00 0.00 H new ATOM 0 HA SER A 22 10.936 11.829 -16.463 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.713 12.173 -14.694 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.104 12.818 -16.276 1.00 0.00 H new ATOM 0 HG SER A 22 12.072 14.329 -14.057 1.00 0.00 H new ATOM 315 N CYS A 23 9.438 11.392 -14.530 1.00 0.00 N ATOM 316 CA CYS A 23 8.453 11.084 -13.491 1.00 0.00 C ATOM 317 C CYS A 23 9.000 9.984 -12.583 1.00 0.00 C ATOM 318 O CYS A 23 9.016 8.807 -12.954 1.00 0.00 O ATOM 319 CB CYS A 23 7.121 10.647 -14.137 1.00 0.00 C ATOM 320 SG CYS A 23 5.806 10.305 -12.953 1.00 0.00 S ATOM 0 H CYS A 23 9.628 10.606 -15.152 1.00 0.00 H new ATOM 0 HA CYS A 23 8.265 11.975 -12.892 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.787 11.429 -14.819 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.296 9.754 -14.737 1.00 0.00 H new ATOM 0 HG CYS A 23 5.605 11.354 -12.213 1.00 0.00 H new ATOM 326 N VAL A 24 9.482 10.380 -11.403 1.00 0.00 N ATOM 327 CA VAL A 24 10.061 9.457 -10.426 1.00 0.00 C ATOM 328 C VAL A 24 8.921 8.857 -9.578 1.00 0.00 C ATOM 329 O VAL A 24 8.169 9.591 -8.923 1.00 0.00 O ATOM 330 CB VAL A 24 11.107 10.183 -9.504 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.869 9.175 -8.617 1.00 0.00 C ATOM 332 CG2 VAL A 24 12.096 11.047 -10.332 1.00 0.00 C ATOM 0 H VAL A 24 9.481 11.353 -11.098 1.00 0.00 H new ATOM 0 HA VAL A 24 10.590 8.664 -10.954 1.00 0.00 H new ATOM 0 HB VAL A 24 10.549 10.853 -8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.584 9.709 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.161 8.640 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.400 8.463 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.804 11.533 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.638 10.410 -11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.542 11.805 -10.886 1.00 0.00 H new ATOM 342 N ALA A 25 8.798 7.522 -9.595 1.00 0.00 N ATOM 343 CA ALA A 25 7.685 6.819 -8.950 1.00 0.00 C ATOM 344 C ALA A 25 8.026 6.509 -7.482 1.00 0.00 C ATOM 345 O ALA A 25 8.778 5.568 -7.194 1.00 0.00 O ATOM 346 CB ALA A 25 7.350 5.531 -9.727 1.00 0.00 C ATOM 0 H ALA A 25 9.466 6.903 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 25 6.805 7.462 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.522 5.017 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.068 5.785 -10.749 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.223 4.879 -9.744 1.00 0.00 H new ATOM 352 N SER A 26 7.495 7.370 -6.580 1.00 0.00 N ATOM 353 CA SER A 26 7.568 7.214 -5.111 1.00 0.00 C ATOM 354 C SER A 26 9.030 7.155 -4.603 1.00 0.00 C ATOM 355 O SER A 26 9.351 6.443 -3.642 1.00 0.00 O ATOM 356 CB SER A 26 6.742 5.970 -4.686 1.00 0.00 C ATOM 357 OG SER A 26 5.419 6.034 -5.197 1.00 0.00 O ATOM 0 H SER A 26 6.993 8.211 -6.863 1.00 0.00 H new ATOM 0 HA SER A 26 7.132 8.096 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.231 5.065 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.712 5.904 -3.598 1.00 0.00 H new ATOM 0 HG SER A 26 4.921 5.238 -4.916 1.00 0.00 H new ATOM 363 N GLY A 27 9.909 7.932 -5.259 1.00 0.00 N ATOM 364 CA GLY A 27 11.345 7.939 -4.947 1.00 0.00 C ATOM 365 C GLY A 27 12.097 6.840 -5.692 1.00 0.00 C ATOM 366 O GLY A 27 13.028 7.125 -6.452 1.00 0.00 O ATOM 0 H GLY A 27 9.646 8.566 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.768 8.909 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.483 7.810 -3.874 1.00 0.00 H new ATOM 370 N ARG A 28 11.675 5.583 -5.456 1.00 0.00 N ATOM 371 CA ARG A 28 12.199 4.383 -6.130 1.00 0.00 C ATOM 372 C ARG A 28 11.342 3.182 -5.697 1.00 0.00 C ATOM 373 O ARG A 28 11.707 2.427 -4.787 1.00 0.00 O ATOM 374 CB ARG A 28 13.714 4.178 -5.815 1.00 0.00 C ATOM 375 CG ARG A 28 14.394 2.965 -6.494 1.00 0.00 C ATOM 376 CD ARG A 28 15.936 3.017 -6.398 1.00 0.00 C ATOM 377 NE ARG A 28 16.425 3.211 -5.008 1.00 0.00 N ATOM 378 CZ ARG A 28 17.169 4.258 -4.576 1.00 0.00 C ATOM 379 NH1 ARG A 28 17.460 5.269 -5.387 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.600 4.294 -3.324 1.00 0.00 N ATOM 0 H ARG A 28 10.945 5.371 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 28 12.133 4.495 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.250 5.080 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.829 4.076 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.036 2.046 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.100 2.929 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.351 2.092 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.306 3.829 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 28 16.180 2.497 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.122 5.264 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.021 6.050 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.372 3.533 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.160 5.083 -3.000 1.00 0.00 H new ATOM 394 N THR A 29 10.143 3.078 -6.297 1.00 0.00 N ATOM 395 CA THR A 29 9.172 2.012 -5.997 1.00 0.00 C ATOM 396 C THR A 29 8.500 1.519 -7.296 1.00 0.00 C ATOM 397 O THR A 29 8.283 2.296 -8.229 1.00 0.00 O ATOM 398 CB THR A 29 8.086 2.508 -4.985 1.00 0.00 C ATOM 399 OG1 THR A 29 8.723 3.105 -3.845 1.00 0.00 O ATOM 400 CG2 THR A 29 7.167 1.366 -4.508 1.00 0.00 C ATOM 0 H THR A 29 9.819 3.735 -7.007 1.00 0.00 H new ATOM 0 HA THR A 29 9.712 1.183 -5.539 1.00 0.00 H new ATOM 0 HB THR A 29 7.469 3.240 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.040 3.416 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.431 1.760 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.655 0.929 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.765 0.600 -4.013 1.00 0.00 H new ATOM 408 N PHE A 30 8.152 0.224 -7.321 1.00 0.00 N ATOM 409 CA PHE A 30 7.546 -0.453 -8.476 1.00 0.00 C ATOM 410 C PHE A 30 6.262 -1.192 -8.044 1.00 0.00 C ATOM 411 O PHE A 30 6.227 -1.809 -6.971 1.00 0.00 O ATOM 412 CB PHE A 30 8.563 -1.452 -9.106 1.00 0.00 C ATOM 413 CG PHE A 30 8.955 -2.627 -8.202 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.749 -2.431 -7.071 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.509 -3.923 -8.470 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.087 -3.486 -6.247 1.00 0.00 C ATOM 417 CE2 PHE A 30 8.852 -4.977 -7.646 1.00 0.00 C ATOM 418 CZ PHE A 30 9.634 -4.758 -6.531 1.00 0.00 C ATOM 0 H PHE A 30 8.287 -0.395 -6.521 1.00 0.00 H new ATOM 0 HA PHE A 30 7.282 0.293 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.138 -1.848 -10.028 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.466 -0.906 -9.380 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.105 -1.438 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.887 -4.104 -9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.707 -3.315 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.507 -5.975 -7.875 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.891 -5.581 -5.881 1.00 0.00 H new ATOM 428 N ARG A 31 5.215 -1.075 -8.871 1.00 0.00 N ATOM 429 CA ARG A 31 4.001 -1.917 -8.793 1.00 0.00 C ATOM 430 C ARG A 31 3.133 -1.674 -10.055 1.00 0.00 C ATOM 431 O ARG A 31 1.979 -2.105 -10.138 1.00 0.00 O ATOM 432 CB ARG A 31 3.182 -1.636 -7.484 1.00 0.00 C ATOM 433 CG ARG A 31 2.183 -2.759 -7.119 1.00 0.00 C ATOM 434 CD ARG A 31 1.298 -2.432 -5.908 1.00 0.00 C ATOM 435 NE ARG A 31 0.434 -3.578 -5.559 1.00 0.00 N ATOM 436 CZ ARG A 31 -0.906 -3.561 -5.470 1.00 0.00 C ATOM 437 NH1 ARG A 31 -1.587 -2.433 -5.616 1.00 0.00 N ATOM 438 NH2 ARG A 31 -1.561 -4.686 -5.235 1.00 0.00 N ATOM 0 H ARG A 31 5.181 -0.387 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 31 4.303 -2.964 -8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.876 -1.497 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.635 -0.701 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.545 -2.959 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.739 -3.674 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.925 -2.171 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.681 -1.561 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 31 0.899 -4.466 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.093 -1.559 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.605 -2.439 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.048 -5.561 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.579 -4.679 -5.166 1.00 0.00 H new ATOM 452 N SER A 32 3.729 -1.008 -11.059 1.00 0.00 N ATOM 453 CA SER A 32 3.018 -0.545 -12.254 1.00 0.00 C ATOM 454 C SER A 32 3.435 -1.387 -13.474 1.00 0.00 C ATOM 455 O SER A 32 4.571 -1.283 -13.953 1.00 0.00 O ATOM 456 CB SER A 32 3.313 0.954 -12.483 1.00 0.00 C ATOM 457 OG SER A 32 2.503 1.492 -13.507 1.00 0.00 O ATOM 0 H SER A 32 4.722 -0.777 -11.060 1.00 0.00 H new ATOM 0 HA SER A 32 1.944 -0.667 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.144 1.504 -11.557 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.364 1.083 -12.743 1.00 0.00 H new ATOM 0 HG SER A 32 2.045 0.765 -13.978 1.00 0.00 H new ATOM 463 N ASN A 33 2.514 -2.238 -13.945 1.00 0.00 N ATOM 464 CA ASN A 33 2.717 -3.090 -15.130 1.00 0.00 C ATOM 465 C ASN A 33 2.286 -2.351 -16.411 1.00 0.00 C ATOM 466 O ASN A 33 2.756 -2.673 -17.507 1.00 0.00 O ATOM 467 CB ASN A 33 1.912 -4.408 -14.981 1.00 0.00 C ATOM 468 CG ASN A 33 2.330 -5.260 -13.775 1.00 0.00 C ATOM 469 OD1 ASN A 33 3.479 -5.212 -13.330 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.405 -6.060 -13.249 1.00 0.00 N ATOM 0 H ASN A 33 1.598 -2.357 -13.512 1.00 0.00 H new ATOM 0 HA ASN A 33 3.778 -3.326 -15.208 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.853 -4.167 -14.893 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.030 -4.999 -15.889 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.638 -6.656 -12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.463 -6.077 -13.640 1.00 0.00 H new ATOM 477 N ALA A 34 1.390 -1.359 -16.249 1.00 0.00 N ATOM 478 CA ALA A 34 0.844 -0.553 -17.355 1.00 0.00 C ATOM 479 C ALA A 34 0.963 0.937 -16.996 1.00 0.00 C ATOM 480 O ALA A 34 0.474 1.360 -15.950 1.00 0.00 O ATOM 481 CB ALA A 34 -0.622 -0.943 -17.626 1.00 0.00 C ATOM 0 H ALA A 34 1.021 -1.093 -15.336 1.00 0.00 H new ATOM 0 HA ALA A 34 1.411 -0.744 -18.266 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.013 -0.340 -18.445 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.674 -1.998 -17.895 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.217 -0.767 -16.730 1.00 0.00 H new ATOM 487 N MET A 35 1.638 1.713 -17.859 1.00 0.00 N ATOM 488 CA MET A 35 1.903 3.157 -17.651 1.00 0.00 C ATOM 489 C MET A 35 1.555 3.935 -18.924 1.00 0.00 C ATOM 490 O MET A 35 1.386 3.340 -19.994 1.00 0.00 O ATOM 491 CB MET A 35 3.392 3.424 -17.279 1.00 0.00 C ATOM 492 CG MET A 35 3.903 2.664 -16.053 1.00 0.00 C ATOM 493 SD MET A 35 5.565 3.166 -15.543 1.00 0.00 S ATOM 494 CE MET A 35 6.474 3.017 -17.080 1.00 0.00 C ATOM 0 H MET A 35 2.023 1.356 -18.734 1.00 0.00 H new ATOM 0 HA MET A 35 1.280 3.491 -16.821 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.016 3.164 -18.134 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.520 4.492 -17.104 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.213 2.820 -15.224 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.904 1.596 -16.270 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.541 3.121 -16.883 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.280 2.041 -17.524 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.154 3.799 -17.769 1.00 0.00 H new ATOM 504 N GLY A 36 1.468 5.271 -18.800 1.00 0.00 N ATOM 505 CA GLY A 36 1.157 6.131 -19.937 1.00 0.00 C ATOM 506 C GLY A 36 1.682 7.543 -19.781 1.00 0.00 C ATOM 507 O GLY A 36 2.340 7.871 -18.794 1.00 0.00 O ATOM 0 H GLY A 36 1.610 5.770 -17.922 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.578 5.692 -20.842 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.076 6.166 -20.073 1.00 0.00 H new ATOM 511 N TRP A 37 1.421 8.362 -20.804 1.00 0.00 N ATOM 512 CA TRP A 37 1.650 9.811 -20.797 1.00 0.00 C ATOM 513 C TRP A 37 0.446 10.458 -21.475 1.00 0.00 C ATOM 514 O TRP A 37 0.025 10.022 -22.553 1.00 0.00 O ATOM 515 CB TRP A 37 2.962 10.209 -21.531 1.00 0.00 C ATOM 516 CG TRP A 37 4.221 9.873 -20.760 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.026 8.778 -20.913 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.803 10.653 -19.701 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.076 8.842 -20.033 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.958 9.977 -19.273 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.459 11.863 -19.075 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.774 10.466 -18.256 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.272 12.348 -18.065 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.419 11.648 -17.663 1.00 0.00 C ATOM 0 H TRP A 37 1.033 8.026 -21.686 1.00 0.00 H new ATOM 0 HA TRP A 37 1.763 10.155 -19.769 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.994 9.705 -22.497 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.945 11.280 -21.731 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.859 7.981 -21.622 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.826 8.154 -19.956 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.575 12.405 -19.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.659 9.930 -17.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.019 13.279 -17.579 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.034 12.049 -16.871 1.00 0.00 H new ATOM 535 N PHE A 38 -0.119 11.466 -20.816 1.00 0.00 N ATOM 536 CA PHE A 38 -1.360 12.128 -21.235 1.00 0.00 C ATOM 537 C PHE A 38 -1.188 13.655 -21.113 1.00 0.00 C ATOM 538 O PHE A 38 -0.385 14.128 -20.306 1.00 0.00 O ATOM 539 CB PHE A 38 -2.553 11.648 -20.351 1.00 0.00 C ATOM 540 CG PHE A 38 -2.996 10.188 -20.547 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.291 9.130 -19.970 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.130 9.875 -21.302 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.697 7.818 -20.154 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.533 8.562 -21.482 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.816 7.535 -20.908 1.00 0.00 C ATOM 0 H PHE A 38 0.276 11.856 -19.960 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.575 11.870 -22.272 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.282 11.787 -19.304 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.408 12.295 -20.547 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.416 9.337 -19.371 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.703 10.672 -21.753 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.134 7.013 -19.705 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.410 8.343 -22.073 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.130 6.511 -21.048 1.00 0.00 H new ATOM 555 N ARG A 39 -1.927 14.413 -21.932 1.00 0.00 N ATOM 556 CA ARG A 39 -1.950 15.891 -21.864 1.00 0.00 C ATOM 557 C ARG A 39 -3.292 16.341 -21.274 1.00 0.00 C ATOM 558 O ARG A 39 -4.327 15.781 -21.596 1.00 0.00 O ATOM 559 CB ARG A 39 -1.748 16.514 -23.271 1.00 0.00 C ATOM 560 CG ARG A 39 -2.916 16.284 -24.257 1.00 0.00 C ATOM 561 CD ARG A 39 -2.682 16.923 -25.628 1.00 0.00 C ATOM 562 NE ARG A 39 -1.538 16.301 -26.313 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.575 16.965 -26.988 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.604 18.292 -27.093 1.00 0.00 N ATOM 565 NH2 ARG A 39 0.424 16.299 -27.551 1.00 0.00 N ATOM 0 H ARG A 39 -2.527 14.027 -22.661 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.133 16.231 -21.228 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.592 17.587 -23.159 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.837 16.104 -23.707 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.070 15.212 -24.384 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.832 16.689 -23.826 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.578 16.817 -26.240 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.502 17.991 -25.509 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.466 15.284 -26.275 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.361 18.821 -26.660 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.131 18.779 -27.606 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.466 15.283 -27.475 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.150 16.803 -28.060 1.00 0.00 H new ATOM 579 N GLN A 40 -3.272 17.368 -20.448 1.00 0.00 N ATOM 580 CA GLN A 40 -4.471 17.876 -19.748 1.00 0.00 C ATOM 581 C GLN A 40 -4.486 19.403 -19.927 1.00 0.00 C ATOM 582 O GLN A 40 -3.430 20.029 -19.989 1.00 0.00 O ATOM 583 CB GLN A 40 -4.438 17.422 -18.234 1.00 0.00 C ATOM 584 CG GLN A 40 -5.752 16.796 -17.684 1.00 0.00 C ATOM 585 CD GLN A 40 -6.814 17.799 -17.229 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.887 18.926 -17.707 1.00 0.00 O ATOM 587 NE2 GLN A 40 -7.655 17.388 -16.295 1.00 0.00 N ATOM 0 H GLN A 40 -2.423 17.889 -20.231 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.394 17.469 -20.161 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.633 16.698 -18.109 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.186 18.287 -17.621 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.184 16.161 -18.457 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.503 16.149 -16.843 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.573 16.446 -15.914 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.386 18.013 -15.956 1.00 0.00 H new ATOM 596 N ALA A 41 -5.674 19.993 -20.044 1.00 0.00 N ATOM 597 CA ALA A 41 -5.841 21.437 -20.312 1.00 0.00 C ATOM 598 C ALA A 41 -7.083 21.949 -19.557 1.00 0.00 C ATOM 599 O ALA A 41 -7.967 21.150 -19.258 1.00 0.00 O ATOM 600 CB ALA A 41 -5.958 21.672 -21.835 1.00 0.00 C ATOM 0 H ALA A 41 -6.557 19.489 -19.957 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.973 21.993 -19.957 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.081 22.737 -22.030 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.054 21.315 -22.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.821 21.130 -22.222 1.00 0.00 H new ATOM 606 N PRO A 42 -7.178 23.276 -19.215 1.00 0.00 N ATOM 607 CA PRO A 42 -8.369 23.835 -18.513 1.00 0.00 C ATOM 608 C PRO A 42 -9.675 23.615 -19.326 1.00 0.00 C ATOM 609 O PRO A 42 -9.894 24.255 -20.367 1.00 0.00 O ATOM 610 CB PRO A 42 -8.021 25.342 -18.342 1.00 0.00 C ATOM 611 CG PRO A 42 -6.941 25.606 -19.352 1.00 0.00 C ATOM 612 CD PRO A 42 -6.148 24.323 -19.447 1.00 0.00 C ATOM 0 HA PRO A 42 -8.565 23.347 -17.558 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.892 25.972 -18.522 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.677 25.556 -17.330 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.366 25.876 -20.319 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.307 26.436 -19.040 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.673 24.213 -20.422 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.355 24.282 -18.700 1.00 0.00 H new ATOM 620 N GLY A 43 -10.504 22.664 -18.856 1.00 0.00 N ATOM 621 CA GLY A 43 -11.758 22.291 -19.528 1.00 0.00 C ATOM 622 C GLY A 43 -11.653 21.005 -20.347 1.00 0.00 C ATOM 623 O GLY A 43 -12.679 20.400 -20.694 1.00 0.00 O ATOM 0 H GLY A 43 -10.322 22.136 -18.003 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.541 22.172 -18.779 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.066 23.106 -20.184 1.00 0.00 H new ATOM 627 N LYS A 44 -10.414 20.577 -20.651 1.00 0.00 N ATOM 628 CA LYS A 44 -10.140 19.381 -21.481 1.00 0.00 C ATOM 629 C LYS A 44 -9.506 18.270 -20.625 1.00 0.00 C ATOM 630 O LYS A 44 -8.562 18.519 -19.876 1.00 0.00 O ATOM 631 CB LYS A 44 -9.198 19.744 -22.658 1.00 0.00 C ATOM 632 CG LYS A 44 -9.649 20.932 -23.561 1.00 0.00 C ATOM 633 CD LYS A 44 -10.776 20.598 -24.583 1.00 0.00 C ATOM 634 CE LYS A 44 -12.188 20.483 -23.972 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.255 20.418 -25.003 1.00 0.00 N ATOM 0 H LYS A 44 -9.570 21.050 -20.329 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.085 19.019 -21.886 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.215 19.978 -22.250 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.080 18.862 -23.287 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.991 21.745 -22.920 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.782 21.301 -24.109 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.790 21.370 -25.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.532 19.658 -25.078 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.237 19.591 -23.347 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.369 21.339 -23.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.182 20.342 -24.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.229 21.280 -25.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.102 19.587 -25.609 1.00 0.00 H new ATOM 649 N GLU A 45 -10.042 17.052 -20.752 1.00 0.00 N ATOM 650 CA GLU A 45 -9.545 15.850 -20.043 1.00 0.00 C ATOM 651 C GLU A 45 -8.203 15.357 -20.624 1.00 0.00 C ATOM 652 O GLU A 45 -7.740 15.836 -21.675 1.00 0.00 O ATOM 653 CB GLU A 45 -10.611 14.724 -20.111 1.00 0.00 C ATOM 654 CG GLU A 45 -11.962 15.103 -19.475 1.00 0.00 C ATOM 655 CD GLU A 45 -13.007 13.983 -19.566 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.772 13.941 -20.549 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.065 13.133 -18.647 1.00 0.00 O ATOM 0 H GLU A 45 -10.843 16.862 -21.355 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.368 16.120 -19.002 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.775 14.455 -21.155 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.221 13.838 -19.611 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.804 15.360 -18.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.351 15.995 -19.967 1.00 0.00 H new ATOM 664 N ARG A 46 -7.590 14.395 -19.915 1.00 0.00 N ATOM 665 CA ARG A 46 -6.283 13.831 -20.287 1.00 0.00 C ATOM 666 C ARG A 46 -6.363 13.016 -21.614 1.00 0.00 C ATOM 667 O ARG A 46 -7.114 12.045 -21.709 1.00 0.00 O ATOM 668 CB ARG A 46 -5.657 13.001 -19.111 1.00 0.00 C ATOM 669 CG ARG A 46 -6.329 11.655 -18.723 1.00 0.00 C ATOM 670 CD ARG A 46 -7.682 11.820 -18.019 1.00 0.00 C ATOM 671 NE ARG A 46 -8.326 10.532 -17.704 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.387 10.383 -16.891 1.00 0.00 C ATOM 673 NH1 ARG A 46 -9.904 11.424 -16.236 1.00 0.00 N ATOM 674 NH2 ARG A 46 -9.923 9.185 -16.734 1.00 0.00 N ATOM 0 H ARG A 46 -7.987 13.987 -19.068 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.608 14.665 -20.476 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.618 12.793 -19.367 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.646 13.635 -18.225 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.469 11.056 -19.623 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.656 11.098 -18.071 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.540 12.384 -17.097 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.346 12.407 -18.653 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.939 9.692 -18.134 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.494 12.351 -16.348 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.709 11.292 -15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.532 8.383 -17.227 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.728 9.063 -16.119 1.00 0.00 H new ATOM 688 N GLU A 47 -5.601 13.449 -22.650 1.00 0.00 N ATOM 689 CA GLU A 47 -5.590 12.820 -23.984 1.00 0.00 C ATOM 690 C GLU A 47 -4.321 11.978 -24.156 1.00 0.00 C ATOM 691 O GLU A 47 -3.226 12.425 -23.802 1.00 0.00 O ATOM 692 CB GLU A 47 -5.678 13.911 -25.097 1.00 0.00 C ATOM 693 CG GLU A 47 -5.623 13.398 -26.556 1.00 0.00 C ATOM 694 CD GLU A 47 -6.711 12.361 -26.882 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.397 11.155 -26.982 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.894 12.746 -27.006 1.00 0.00 O ATOM 0 H GLU A 47 -4.974 14.251 -22.577 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.457 12.166 -24.074 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.607 14.465 -24.962 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.861 14.618 -24.950 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.724 14.245 -27.235 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.644 12.956 -26.741 1.00 0.00 H new ATOM 703 N PHE A 48 -4.497 10.780 -24.726 1.00 0.00 N ATOM 704 CA PHE A 48 -3.443 9.773 -24.896 1.00 0.00 C ATOM 705 C PHE A 48 -2.312 10.285 -25.818 1.00 0.00 C ATOM 706 O PHE A 48 -2.539 10.568 -26.999 1.00 0.00 O ATOM 707 CB PHE A 48 -4.093 8.486 -25.464 1.00 0.00 C ATOM 708 CG PHE A 48 -3.163 7.282 -25.573 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.890 6.493 -24.458 1.00 0.00 C ATOM 710 CD2 PHE A 48 -2.567 6.932 -26.787 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.055 5.401 -24.551 1.00 0.00 C ATOM 712 CE2 PHE A 48 -1.730 5.839 -26.877 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.475 5.075 -25.759 1.00 0.00 C ATOM 0 H PHE A 48 -5.400 10.476 -25.091 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.981 9.560 -23.932 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.938 8.216 -24.831 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.493 8.707 -26.454 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.339 6.741 -23.508 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.764 7.525 -27.668 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.854 4.800 -23.677 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.275 5.583 -27.822 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.820 4.219 -25.829 1.00 0.00 H new ATOM 723 N VAL A 49 -1.108 10.422 -25.240 1.00 0.00 N ATOM 724 CA VAL A 49 0.119 10.799 -25.968 1.00 0.00 C ATOM 725 C VAL A 49 0.981 9.541 -26.199 1.00 0.00 C ATOM 726 O VAL A 49 1.428 9.280 -27.322 1.00 0.00 O ATOM 727 CB VAL A 49 0.947 11.892 -25.178 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.251 12.296 -25.923 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.071 13.136 -24.873 1.00 0.00 C ATOM 0 H VAL A 49 -0.955 10.273 -24.243 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.166 11.232 -26.927 1.00 0.00 H new ATOM 0 HB VAL A 49 1.249 11.443 -24.232 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.784 13.048 -25.341 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.885 11.418 -26.049 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.999 12.705 -26.901 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.662 13.873 -24.330 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.281 13.571 -25.808 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.785 12.839 -24.267 1.00 0.00 H new ATOM 739 N ALA A 50 1.180 8.752 -25.122 1.00 0.00 N ATOM 740 CA ALA A 50 2.075 7.578 -25.128 1.00 0.00 C ATOM 741 C ALA A 50 1.639 6.526 -24.089 1.00 0.00 C ATOM 742 O ALA A 50 0.780 6.801 -23.248 1.00 0.00 O ATOM 743 CB ALA A 50 3.522 8.027 -24.861 1.00 0.00 C ATOM 0 H ALA A 50 0.724 8.912 -24.224 1.00 0.00 H new ATOM 0 HA ALA A 50 2.016 7.111 -26.111 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.180 7.158 -24.866 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.836 8.724 -25.638 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.577 8.518 -23.889 1.00 0.00 H new ATOM 749 N ALA A 51 2.237 5.314 -24.174 1.00 0.00 N ATOM 750 CA ALA A 51 2.065 4.253 -23.164 1.00 0.00 C ATOM 751 C ALA A 51 3.274 3.300 -23.138 1.00 0.00 C ATOM 752 O ALA A 51 3.819 2.907 -24.194 1.00 0.00 O ATOM 753 CB ALA A 51 0.758 3.464 -23.357 1.00 0.00 C ATOM 0 H ALA A 51 2.850 5.049 -24.945 1.00 0.00 H new ATOM 0 HA ALA A 51 2.001 4.755 -22.199 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.680 2.695 -22.588 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.091 4.143 -23.279 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.758 2.994 -24.341 1.00 0.00 H new ATOM 759 N ILE A 52 3.672 2.941 -21.903 1.00 0.00 N ATOM 760 CA ILE A 52 4.795 2.042 -21.614 1.00 0.00 C ATOM 761 C ILE A 52 4.311 0.916 -20.693 1.00 0.00 C ATOM 762 O ILE A 52 3.783 1.181 -19.615 1.00 0.00 O ATOM 763 CB ILE A 52 5.980 2.794 -20.899 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.500 3.994 -21.749 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.138 1.818 -20.554 1.00 0.00 C ATOM 766 CD1 ILE A 52 7.564 4.835 -21.058 1.00 0.00 C ATOM 0 H ILE A 52 3.207 3.279 -21.060 1.00 0.00 H new ATOM 0 HA ILE A 52 5.159 1.648 -22.563 1.00 0.00 H new ATOM 0 HB ILE A 52 5.588 3.198 -19.966 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.907 3.612 -22.685 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.657 4.635 -22.006 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.941 2.366 -20.061 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.770 1.037 -19.888 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.517 1.365 -21.470 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.871 5.647 -21.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.158 5.250 -20.136 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.427 4.211 -20.826 1.00 0.00 H new ATOM 778 N ARG A 53 4.513 -0.335 -21.112 1.00 0.00 N ATOM 779 CA ARG A 53 4.215 -1.517 -20.290 1.00 0.00 C ATOM 780 C ARG A 53 5.503 -2.268 -19.926 1.00 0.00 C ATOM 781 O ARG A 53 6.618 -1.846 -20.279 1.00 0.00 O ATOM 782 CB ARG A 53 3.199 -2.450 -21.011 1.00 0.00 C ATOM 783 CG ARG A 53 1.735 -1.954 -20.957 1.00 0.00 C ATOM 784 CD ARG A 53 0.735 -2.998 -21.482 1.00 0.00 C ATOM 785 NE ARG A 53 -0.643 -2.671 -21.090 1.00 0.00 N ATOM 786 CZ ARG A 53 -1.636 -3.558 -20.958 1.00 0.00 C ATOM 787 NH1 ARG A 53 -1.459 -4.838 -21.252 1.00 0.00 N ATOM 788 NH2 ARG A 53 -2.810 -3.153 -20.530 1.00 0.00 N ATOM 0 H ARG A 53 4.889 -0.561 -22.033 1.00 0.00 H new ATOM 0 HA ARG A 53 3.755 -1.180 -19.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.497 -2.556 -22.054 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.252 -3.442 -20.562 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.480 -1.698 -19.929 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.643 -1.041 -21.545 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.802 -3.053 -22.569 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.000 -3.983 -21.097 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.859 -1.692 -20.904 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.552 -5.164 -21.586 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.230 -5.497 -21.144 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.958 -2.170 -20.302 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.573 -3.822 -20.426 1.00 0.00 H new ATOM 802 N TRP A 54 5.340 -3.347 -19.144 1.00 0.00 N ATOM 803 CA TRP A 54 6.421 -4.293 -18.843 1.00 0.00 C ATOM 804 C TRP A 54 6.807 -5.050 -20.139 1.00 0.00 C ATOM 805 O TRP A 54 6.121 -6.004 -20.529 1.00 0.00 O ATOM 806 CB TRP A 54 5.974 -5.268 -17.710 1.00 0.00 C ATOM 807 CG TRP A 54 6.978 -6.360 -17.401 1.00 0.00 C ATOM 808 CD1 TRP A 54 8.159 -6.230 -16.726 1.00 0.00 C ATOM 809 CD2 TRP A 54 6.885 -7.745 -17.775 1.00 0.00 C ATOM 810 NE1 TRP A 54 8.803 -7.438 -16.671 1.00 0.00 N ATOM 811 CE2 TRP A 54 8.042 -8.381 -17.303 1.00 0.00 C ATOM 812 CE3 TRP A 54 5.926 -8.506 -18.459 1.00 0.00 C ATOM 813 CZ2 TRP A 54 8.281 -9.735 -17.506 1.00 0.00 C ATOM 814 CZ3 TRP A 54 6.163 -9.852 -18.658 1.00 0.00 C ATOM 815 CH2 TRP A 54 7.332 -10.454 -18.176 1.00 0.00 C ATOM 0 H TRP A 54 4.452 -3.587 -18.703 1.00 0.00 H new ATOM 0 HA TRP A 54 7.301 -3.760 -18.484 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.788 -4.693 -16.803 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.028 -5.729 -17.994 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.530 -5.310 -16.299 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.707 -7.607 -16.229 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.019 -8.048 -18.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.186 -10.203 -17.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.438 -10.448 -19.192 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.487 -11.511 -18.338 1.00 0.00 H new ATOM 826 N SER A 55 7.855 -4.539 -20.831 1.00 0.00 N ATOM 827 CA SER A 55 8.409 -5.133 -22.075 1.00 0.00 C ATOM 828 C SER A 55 7.367 -5.131 -23.233 1.00 0.00 C ATOM 829 O SER A 55 6.290 -4.521 -23.123 1.00 0.00 O ATOM 830 CB SER A 55 8.969 -6.563 -21.785 1.00 0.00 C ATOM 831 OG SER A 55 9.696 -7.090 -22.887 1.00 0.00 O ATOM 0 H SER A 55 8.345 -3.694 -20.539 1.00 0.00 H new ATOM 0 HA SER A 55 9.237 -4.510 -22.414 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.617 -6.527 -20.909 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.143 -7.232 -21.543 1.00 0.00 H new ATOM 0 HG SER A 55 10.029 -7.984 -22.662 1.00 0.00 H new ATOM 837 N GLY A 56 7.718 -5.774 -24.365 1.00 0.00 N ATOM 838 CA GLY A 56 6.812 -5.915 -25.516 1.00 0.00 C ATOM 839 C GLY A 56 7.006 -4.842 -26.587 1.00 0.00 C ATOM 840 O GLY A 56 6.597 -5.030 -27.741 1.00 0.00 O ATOM 0 H GLY A 56 8.631 -6.206 -24.504 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.961 -6.896 -25.966 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.782 -5.880 -25.162 1.00 0.00 H new ATOM 844 N GLY A 57 7.637 -3.721 -26.200 1.00 0.00 N ATOM 845 CA GLY A 57 7.894 -2.593 -27.100 1.00 0.00 C ATOM 846 C GLY A 57 7.804 -1.277 -26.358 1.00 0.00 C ATOM 847 O GLY A 57 8.799 -0.545 -26.256 1.00 0.00 O ATOM 0 H GLY A 57 7.983 -3.575 -25.251 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.883 -2.697 -27.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.173 -2.604 -27.918 1.00 0.00 H new ATOM 851 N SER A 58 6.590 -0.987 -25.851 1.00 0.00 N ATOM 852 CA SER A 58 6.325 0.126 -24.922 1.00 0.00 C ATOM 853 C SER A 58 6.623 1.504 -25.563 1.00 0.00 C ATOM 854 O SER A 58 7.549 2.220 -25.150 1.00 0.00 O ATOM 855 CB SER A 58 7.111 -0.101 -23.610 1.00 0.00 C ATOM 856 OG SER A 58 6.772 -1.354 -23.032 1.00 0.00 O ATOM 0 H SER A 58 5.755 -1.527 -26.079 1.00 0.00 H new ATOM 0 HA SER A 58 5.261 0.141 -24.686 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.182 -0.065 -23.811 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.892 0.701 -22.905 1.00 0.00 H new ATOM 0 HG SER A 58 6.786 -1.278 -22.055 1.00 0.00 H new ATOM 862 N THR A 59 5.772 1.884 -26.535 1.00 0.00 N ATOM 863 CA THR A 59 6.012 3.011 -27.465 1.00 0.00 C ATOM 864 C THR A 59 4.693 3.406 -28.153 1.00 0.00 C ATOM 865 O THR A 59 4.063 2.568 -28.812 1.00 0.00 O ATOM 866 CB THR A 59 7.075 2.666 -28.592 1.00 0.00 C ATOM 867 OG1 THR A 59 6.802 1.367 -29.147 1.00 0.00 O ATOM 868 CG2 THR A 59 8.540 2.723 -28.109 1.00 0.00 C ATOM 0 H THR A 59 4.884 1.411 -26.701 1.00 0.00 H new ATOM 0 HA THR A 59 6.408 3.830 -26.865 1.00 0.00 H new ATOM 0 HB THR A 59 6.968 3.440 -29.352 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.837 1.264 -29.280 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.206 2.475 -28.936 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.766 3.727 -27.750 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.684 2.007 -27.300 1.00 0.00 H new ATOM 876 N TYR A 60 4.300 4.680 -28.000 1.00 0.00 N ATOM 877 CA TYR A 60 3.133 5.283 -28.678 1.00 0.00 C ATOM 878 C TYR A 60 3.407 6.787 -28.885 1.00 0.00 C ATOM 879 O TYR A 60 4.091 7.412 -28.067 1.00 0.00 O ATOM 880 CB TYR A 60 1.812 5.112 -27.867 1.00 0.00 C ATOM 881 CG TYR A 60 1.267 3.676 -27.733 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.694 2.841 -26.701 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.308 3.169 -28.618 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.196 1.564 -26.552 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.192 1.884 -28.472 1.00 0.00 C ATOM 886 CZ TYR A 60 0.255 1.089 -27.433 1.00 0.00 C ATOM 887 OH TYR A 60 -0.250 -0.183 -27.265 1.00 0.00 O ATOM 0 H TYR A 60 4.791 5.335 -27.391 1.00 0.00 H new ATOM 0 HA TYR A 60 2.998 4.768 -29.629 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.973 5.511 -26.865 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.043 5.726 -28.335 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.433 3.203 -26.001 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.048 3.789 -29.428 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.545 0.938 -25.744 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.927 1.506 -29.167 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.906 -0.370 -27.968 1.00 0.00 H new ATOM 897 N TYR A 61 2.867 7.344 -29.983 1.00 0.00 N ATOM 898 CA TYR A 61 2.978 8.780 -30.327 1.00 0.00 C ATOM 899 C TYR A 61 1.944 9.134 -31.408 1.00 0.00 C ATOM 900 O TYR A 61 1.460 8.252 -32.132 1.00 0.00 O ATOM 901 CB TYR A 61 4.425 9.163 -30.794 1.00 0.00 C ATOM 902 CG TYR A 61 5.025 8.227 -31.867 1.00 0.00 C ATOM 903 CD1 TYR A 61 4.826 8.458 -33.230 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.791 7.111 -31.510 1.00 0.00 C ATOM 905 CE1 TYR A 61 5.361 7.619 -34.188 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.325 6.267 -32.469 1.00 0.00 C ATOM 907 CZ TYR A 61 6.111 6.531 -33.809 1.00 0.00 C ATOM 908 OH TYR A 61 6.646 5.708 -34.780 1.00 0.00 O ATOM 0 H TYR A 61 2.334 6.807 -30.667 1.00 0.00 H new ATOM 0 HA TYR A 61 2.773 9.360 -29.427 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.408 10.180 -31.186 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.083 9.167 -29.925 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.241 9.311 -33.542 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.969 6.904 -30.465 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.190 7.818 -35.236 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.906 5.407 -32.172 1.00 0.00 H new ATOM 0 HH TYR A 61 7.151 4.984 -34.354 1.00 0.00 H new ATOM 918 N ALA A 62 1.605 10.430 -31.496 1.00 0.00 N ATOM 919 CA ALA A 62 0.686 10.958 -32.515 1.00 0.00 C ATOM 920 C ALA A 62 1.410 11.127 -33.863 1.00 0.00 C ATOM 921 O ALA A 62 2.639 11.261 -33.907 1.00 0.00 O ATOM 922 CB ALA A 62 0.079 12.294 -32.043 1.00 0.00 C ATOM 0 H ALA A 62 1.962 11.143 -30.860 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.125 10.244 -32.658 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.600 12.675 -32.806 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.470 12.136 -31.115 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.877 13.017 -31.874 1.00 0.00 H new ATOM 928 N ASP A 63 0.626 11.145 -34.953 1.00 0.00 N ATOM 929 CA ASP A 63 1.144 11.289 -36.335 1.00 0.00 C ATOM 930 C ASP A 63 1.835 12.653 -36.526 1.00 0.00 C ATOM 931 O ASP A 63 2.865 12.757 -37.199 1.00 0.00 O ATOM 932 CB ASP A 63 -0.016 11.137 -37.353 1.00 0.00 C ATOM 933 CG ASP A 63 0.441 11.142 -38.830 1.00 0.00 C ATOM 934 OD1 ASP A 63 0.719 10.057 -39.382 1.00 0.00 O ATOM 935 OD2 ASP A 63 0.523 12.227 -39.442 1.00 0.00 O ATOM 0 H ASP A 63 -0.389 11.060 -34.907 1.00 0.00 H new ATOM 0 HA ASP A 63 1.881 10.505 -36.507 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.545 10.206 -37.150 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.728 11.948 -37.201 1.00 0.00 H new ATOM 940 N SER A 64 1.256 13.685 -35.898 1.00 0.00 N ATOM 941 CA SER A 64 1.733 15.075 -35.990 1.00 0.00 C ATOM 942 C SER A 64 3.078 15.293 -35.256 1.00 0.00 C ATOM 943 O SER A 64 3.749 16.311 -35.471 1.00 0.00 O ATOM 944 CB SER A 64 0.660 16.006 -35.407 1.00 0.00 C ATOM 945 OG SER A 64 -0.576 15.832 -36.078 1.00 0.00 O ATOM 0 H SER A 64 0.433 13.579 -35.304 1.00 0.00 H new ATOM 0 HA SER A 64 1.909 15.301 -37.042 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.534 15.802 -34.344 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.984 17.043 -35.496 1.00 0.00 H new ATOM 0 HG SER A 64 -1.246 16.433 -35.690 1.00 0.00 H new ATOM 951 N VAL A 65 3.452 14.337 -34.382 1.00 0.00 N ATOM 952 CA VAL A 65 4.696 14.395 -33.581 1.00 0.00 C ATOM 953 C VAL A 65 5.547 13.120 -33.805 1.00 0.00 C ATOM 954 O VAL A 65 6.442 12.804 -32.996 1.00 0.00 O ATOM 955 CB VAL A 65 4.367 14.586 -32.050 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.563 15.891 -31.798 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.630 13.353 -31.463 1.00 0.00 C ATOM 0 H VAL A 65 2.898 13.498 -34.210 1.00 0.00 H new ATOM 0 HA VAL A 65 5.276 15.256 -33.912 1.00 0.00 H new ATOM 0 HB VAL A 65 5.319 14.678 -31.528 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.354 15.990 -30.733 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.146 16.748 -32.134 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.624 15.852 -32.350 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.421 13.523 -30.407 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.693 13.200 -31.998 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.258 12.468 -31.571 1.00 0.00 H new ATOM 967 N LYS A 66 5.270 12.435 -34.944 1.00 0.00 N ATOM 968 CA LYS A 66 5.870 11.141 -35.325 1.00 0.00 C ATOM 969 C LYS A 66 7.405 11.126 -35.196 1.00 0.00 C ATOM 970 O LYS A 66 8.102 11.872 -35.892 1.00 0.00 O ATOM 971 CB LYS A 66 5.465 10.765 -36.781 1.00 0.00 C ATOM 972 CG LYS A 66 6.113 9.459 -37.317 1.00 0.00 C ATOM 973 CD LYS A 66 5.737 9.106 -38.784 1.00 0.00 C ATOM 974 CE LYS A 66 4.357 8.436 -38.944 1.00 0.00 C ATOM 975 NZ LYS A 66 3.238 9.285 -38.477 1.00 0.00 N ATOM 0 H LYS A 66 4.606 12.781 -35.637 1.00 0.00 H new ATOM 0 HA LYS A 66 5.480 10.402 -34.624 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.381 10.662 -36.827 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.736 11.587 -37.443 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.197 9.550 -37.245 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.820 8.631 -36.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.756 10.018 -39.381 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.499 8.442 -39.192 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.201 8.186 -39.993 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.349 7.498 -38.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.402 9.115 -39.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.014 9.051 -37.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.511 10.286 -38.542 1.00 0.00 H new ATOM 989 N GLY A 67 7.901 10.308 -34.249 1.00 0.00 N ATOM 990 CA GLY A 67 9.333 10.049 -34.085 1.00 0.00 C ATOM 991 C GLY A 67 10.057 11.064 -33.208 1.00 0.00 C ATOM 992 O GLY A 67 11.054 10.719 -32.556 1.00 0.00 O ATOM 0 H GLY A 67 7.315 9.811 -33.578 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.464 9.056 -33.655 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.803 10.035 -35.068 1.00 0.00 H new ATOM 996 N ARG A 68 9.556 12.314 -33.182 1.00 0.00 N ATOM 997 CA ARG A 68 10.158 13.407 -32.396 1.00 0.00 C ATOM 998 C ARG A 68 9.907 13.163 -30.900 1.00 0.00 C ATOM 999 O ARG A 68 10.801 13.325 -30.058 1.00 0.00 O ATOM 1000 CB ARG A 68 9.557 14.780 -32.797 1.00 0.00 C ATOM 1001 CG ARG A 68 9.451 15.063 -34.313 1.00 0.00 C ATOM 1002 CD ARG A 68 9.070 16.533 -34.611 1.00 0.00 C ATOM 1003 NE ARG A 68 8.028 17.061 -33.688 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.786 17.441 -34.032 1.00 0.00 C ATOM 1005 NH1 ARG A 68 6.350 17.293 -35.273 1.00 0.00 N ATOM 1006 NH2 ARG A 68 5.977 17.952 -33.114 1.00 0.00 N ATOM 0 H ARG A 68 8.725 12.593 -33.704 1.00 0.00 H new ATOM 0 HA ARG A 68 11.229 13.424 -32.600 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.560 14.857 -32.364 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.163 15.565 -32.344 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.403 14.833 -34.791 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.705 14.400 -34.753 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.962 17.156 -34.538 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.711 16.609 -35.637 1.00 0.00 H new ATOM 0 HE ARG A 68 8.280 17.142 -32.703 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.959 16.886 -35.982 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.405 17.586 -35.520 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.298 18.055 -32.151 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.033 18.242 -33.370 1.00 0.00 H new ATOM 1020 N PHE A 69 8.657 12.788 -30.596 1.00 0.00 N ATOM 1021 CA PHE A 69 8.226 12.428 -29.245 1.00 0.00 C ATOM 1022 C PHE A 69 8.539 10.936 -29.011 1.00 0.00 C ATOM 1023 O PHE A 69 8.077 10.062 -29.756 1.00 0.00 O ATOM 1024 CB PHE A 69 6.710 12.739 -29.051 1.00 0.00 C ATOM 1025 CG PHE A 69 6.328 14.236 -28.979 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.186 14.647 -28.277 1.00 0.00 C ATOM 1027 CD2 PHE A 69 7.087 15.230 -29.616 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.828 15.986 -28.209 1.00 0.00 C ATOM 1029 CE2 PHE A 69 6.725 16.568 -29.543 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.595 16.944 -28.842 1.00 0.00 C ATOM 0 H PHE A 69 7.912 12.727 -31.290 1.00 0.00 H new ATOM 0 HA PHE A 69 8.766 13.022 -28.508 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.158 12.283 -29.873 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.375 12.255 -28.134 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.574 13.908 -27.780 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.969 14.949 -30.173 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.946 16.280 -27.659 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.328 17.317 -30.035 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.312 17.985 -28.789 1.00 0.00 H new ATOM 1040 N THR A 70 9.339 10.680 -27.973 1.00 0.00 N ATOM 1041 CA THR A 70 9.902 9.366 -27.637 1.00 0.00 C ATOM 1042 C THR A 70 9.733 9.152 -26.121 1.00 0.00 C ATOM 1043 O THR A 70 9.721 10.119 -25.355 1.00 0.00 O ATOM 1044 CB THR A 70 11.422 9.300 -28.036 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.565 9.648 -29.426 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.041 7.908 -27.779 1.00 0.00 C ATOM 0 H THR A 70 9.624 11.408 -27.318 1.00 0.00 H new ATOM 0 HA THR A 70 9.382 8.582 -28.188 1.00 0.00 H new ATOM 0 HB THR A 70 11.959 10.011 -27.408 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.511 9.609 -29.677 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.091 7.917 -28.071 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.961 7.664 -26.720 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.508 7.159 -28.364 1.00 0.00 H new ATOM 1054 N ILE A 71 9.582 7.890 -25.690 1.00 0.00 N ATOM 1055 CA ILE A 71 9.363 7.537 -24.272 1.00 0.00 C ATOM 1056 C ILE A 71 10.248 6.347 -23.867 1.00 0.00 C ATOM 1057 O ILE A 71 10.608 5.515 -24.710 1.00 0.00 O ATOM 1058 CB ILE A 71 7.846 7.222 -23.942 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.230 6.106 -24.862 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.993 8.502 -23.973 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.917 6.517 -26.297 1.00 0.00 C ATOM 0 H ILE A 71 9.608 7.082 -26.313 1.00 0.00 H new ATOM 0 HA ILE A 71 9.642 8.414 -23.689 1.00 0.00 H new ATOM 0 HB ILE A 71 7.832 6.822 -22.928 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.921 5.264 -24.889 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.310 5.749 -24.399 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.957 8.254 -23.743 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.370 9.209 -23.234 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.047 8.951 -24.965 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.497 5.667 -26.836 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.197 7.335 -26.292 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.833 6.843 -26.790 1.00 0.00 H new ATOM 1073 N SER A 72 10.586 6.283 -22.569 1.00 0.00 N ATOM 1074 CA SER A 72 11.469 5.250 -22.008 1.00 0.00 C ATOM 1075 C SER A 72 11.115 4.999 -20.535 1.00 0.00 C ATOM 1076 O SER A 72 10.720 5.924 -19.818 1.00 0.00 O ATOM 1077 CB SER A 72 12.948 5.692 -22.130 1.00 0.00 C ATOM 1078 OG SER A 72 13.839 4.706 -21.619 1.00 0.00 O ATOM 0 H SER A 72 10.251 6.952 -21.875 1.00 0.00 H new ATOM 0 HA SER A 72 11.330 4.325 -22.568 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.184 5.888 -23.176 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.093 6.628 -21.590 1.00 0.00 H new ATOM 0 HG SER A 72 14.127 4.961 -20.718 1.00 0.00 H new ATOM 1084 N ARG A 73 11.246 3.739 -20.100 1.00 0.00 N ATOM 1085 CA ARG A 73 11.094 3.347 -18.692 1.00 0.00 C ATOM 1086 C ARG A 73 12.464 2.942 -18.157 1.00 0.00 C ATOM 1087 O ARG A 73 13.105 2.035 -18.700 1.00 0.00 O ATOM 1088 CB ARG A 73 10.111 2.158 -18.542 1.00 0.00 C ATOM 1089 CG ARG A 73 9.937 1.630 -17.093 1.00 0.00 C ATOM 1090 CD ARG A 73 9.023 0.389 -17.013 1.00 0.00 C ATOM 1091 NE ARG A 73 8.767 -0.028 -15.615 1.00 0.00 N ATOM 1092 CZ ARG A 73 7.582 -0.451 -15.131 1.00 0.00 C ATOM 1093 NH1 ARG A 73 6.496 -0.491 -15.906 1.00 0.00 N ATOM 1094 NH2 ARG A 73 7.488 -0.819 -13.862 1.00 0.00 N ATOM 0 H ARG A 73 11.462 2.958 -20.719 1.00 0.00 H new ATOM 0 HA ARG A 73 10.690 4.189 -18.130 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.136 2.462 -18.921 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.457 1.339 -19.172 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.916 1.382 -16.682 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.521 2.422 -16.470 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.075 0.606 -17.505 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.484 -0.435 -17.558 1.00 0.00 H new ATOM 0 HE ARG A 73 9.552 0.008 -14.965 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.555 -0.199 -16.881 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.608 -0.814 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.309 -0.781 -13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.595 -1.140 -13.489 1.00 0.00 H new ATOM 1108 N ASP A 74 12.895 3.611 -17.087 1.00 0.00 N ATOM 1109 CA ASP A 74 14.133 3.284 -16.377 1.00 0.00 C ATOM 1110 C ASP A 74 13.763 2.849 -14.953 1.00 0.00 C ATOM 1111 O ASP A 74 13.736 3.658 -14.021 1.00 0.00 O ATOM 1112 CB ASP A 74 15.078 4.514 -16.380 1.00 0.00 C ATOM 1113 CG ASP A 74 15.666 4.852 -17.769 1.00 0.00 C ATOM 1114 OD1 ASP A 74 14.902 5.232 -18.683 1.00 0.00 O ATOM 1115 OD2 ASP A 74 16.901 4.756 -17.948 1.00 0.00 O ATOM 0 H ASP A 74 12.391 4.401 -16.685 1.00 0.00 H new ATOM 0 HA ASP A 74 14.664 2.469 -16.868 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.531 5.380 -16.008 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.897 4.331 -15.685 1.00 0.00 H new ATOM 1120 N ASN A 75 13.473 1.546 -14.806 1.00 0.00 N ATOM 1121 CA ASN A 75 12.927 0.963 -13.560 1.00 0.00 C ATOM 1122 C ASN A 75 14.043 0.730 -12.510 1.00 0.00 C ATOM 1123 O ASN A 75 13.761 0.469 -11.337 1.00 0.00 O ATOM 1124 CB ASN A 75 12.165 -0.349 -13.893 1.00 0.00 C ATOM 1125 CG ASN A 75 11.245 -0.821 -12.759 1.00 0.00 C ATOM 1126 OD1 ASN A 75 10.087 -0.407 -12.678 1.00 0.00 O ATOM 1127 ND2 ASN A 75 11.747 -1.671 -11.875 1.00 0.00 N ATOM 0 H ASN A 75 13.610 0.861 -15.549 1.00 0.00 H new ATOM 0 HA ASN A 75 12.225 1.668 -13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.571 -0.197 -14.794 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.888 -1.134 -14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.171 -2.001 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.709 -1.996 -11.969 1.00 0.00 H new ATOM 1134 N ALA A 76 15.314 0.843 -12.958 1.00 0.00 N ATOM 1135 CA ALA A 76 16.507 0.740 -12.087 1.00 0.00 C ATOM 1136 C ALA A 76 16.493 1.803 -10.965 1.00 0.00 C ATOM 1137 O ALA A 76 16.940 1.545 -9.847 1.00 0.00 O ATOM 1138 CB ALA A 76 17.782 0.865 -12.932 1.00 0.00 C ATOM 0 H ALA A 76 15.542 1.009 -13.938 1.00 0.00 H new ATOM 0 HA ALA A 76 16.488 -0.238 -11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.656 0.788 -12.285 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.807 0.066 -13.673 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.789 1.830 -13.439 1.00 0.00 H new ATOM 1144 N LYS A 77 15.985 3.007 -11.283 1.00 0.00 N ATOM 1145 CA LYS A 77 15.756 4.076 -10.280 1.00 0.00 C ATOM 1146 C LYS A 77 14.266 4.459 -10.204 1.00 0.00 C ATOM 1147 O LYS A 77 13.890 5.337 -9.415 1.00 0.00 O ATOM 1148 CB LYS A 77 16.637 5.332 -10.551 1.00 0.00 C ATOM 1149 CG LYS A 77 16.461 6.038 -11.921 1.00 0.00 C ATOM 1150 CD LYS A 77 17.247 5.355 -13.063 1.00 0.00 C ATOM 1151 CE LYS A 77 17.313 6.219 -14.333 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.123 5.575 -15.405 1.00 0.00 N ATOM 0 H LYS A 77 15.722 3.270 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 77 16.055 3.672 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.436 6.062 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.682 5.039 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.402 6.058 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.787 7.074 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.259 5.137 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 77 16.779 4.400 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.303 6.400 -14.701 1.00 0.00 H new ATOM 0 HE3 LYS A 77 17.742 7.191 -14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.002 6.112 -15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.354 4.600 -15.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.579 5.563 -16.291 1.00 0.00 H new ATOM 1166 N ASN A 78 13.438 3.762 -11.013 1.00 0.00 N ATOM 1167 CA ASN A 78 11.985 3.983 -11.120 1.00 0.00 C ATOM 1168 C ASN A 78 11.681 5.428 -11.526 1.00 0.00 C ATOM 1169 O ASN A 78 11.189 6.234 -10.731 1.00 0.00 O ATOM 1170 CB ASN A 78 11.237 3.570 -9.825 1.00 0.00 C ATOM 1171 CG ASN A 78 11.405 2.086 -9.500 1.00 0.00 C ATOM 1172 OD1 ASN A 78 12.316 1.694 -8.772 1.00 0.00 O ATOM 1173 ND2 ASN A 78 10.534 1.248 -10.047 1.00 0.00 N ATOM 0 H ASN A 78 13.772 3.015 -11.622 1.00 0.00 H new ATOM 0 HA ASN A 78 11.609 3.334 -11.911 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.607 4.166 -8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.176 3.797 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.608 0.247 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.790 1.605 -10.646 1.00 0.00 H new ATOM 1180 N THR A 79 12.058 5.755 -12.764 1.00 0.00 N ATOM 1181 CA THR A 79 11.802 7.057 -13.374 1.00 0.00 C ATOM 1182 C THR A 79 11.385 6.847 -14.841 1.00 0.00 C ATOM 1183 O THR A 79 12.036 6.102 -15.585 1.00 0.00 O ATOM 1184 CB THR A 79 13.063 7.983 -13.282 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.505 8.072 -11.913 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.778 9.402 -13.805 1.00 0.00 C ATOM 0 H THR A 79 12.557 5.111 -13.378 1.00 0.00 H new ATOM 0 HA THR A 79 10.997 7.553 -12.833 1.00 0.00 H new ATOM 0 HB THR A 79 13.837 7.538 -13.907 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.294 8.651 -11.861 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.680 10.008 -13.722 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.471 9.350 -14.849 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.981 9.854 -13.215 1.00 0.00 H new ATOM 1194 N VAL A 80 10.294 7.507 -15.240 1.00 0.00 N ATOM 1195 CA VAL A 80 9.696 7.373 -16.575 1.00 0.00 C ATOM 1196 C VAL A 80 9.957 8.668 -17.353 1.00 0.00 C ATOM 1197 O VAL A 80 9.633 9.751 -16.876 1.00 0.00 O ATOM 1198 CB VAL A 80 8.149 7.105 -16.475 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.540 6.749 -17.850 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.839 6.011 -15.427 1.00 0.00 C ATOM 0 H VAL A 80 9.793 8.159 -14.637 1.00 0.00 H new ATOM 0 HA VAL A 80 10.146 6.524 -17.090 1.00 0.00 H new ATOM 0 HB VAL A 80 7.680 8.031 -16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.470 6.571 -17.739 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.701 7.574 -18.544 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.019 5.850 -18.238 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.762 5.847 -15.380 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.335 5.083 -15.712 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.201 6.331 -14.450 1.00 0.00 H new ATOM 1210 N TYR A 81 10.564 8.559 -18.537 1.00 0.00 N ATOM 1211 CA TYR A 81 10.966 9.728 -19.338 1.00 0.00 C ATOM 1212 C TYR A 81 10.028 9.934 -20.537 1.00 0.00 C ATOM 1213 O TYR A 81 9.679 8.981 -21.240 1.00 0.00 O ATOM 1214 CB TYR A 81 12.431 9.569 -19.805 1.00 0.00 C ATOM 1215 CG TYR A 81 13.433 9.509 -18.643 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.757 8.299 -18.026 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.042 10.667 -18.151 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.652 8.246 -16.975 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.938 10.614 -17.100 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.239 9.402 -16.515 1.00 0.00 C ATOM 1221 OH TYR A 81 16.133 9.342 -15.462 1.00 0.00 O ATOM 0 H TYR A 81 10.792 7.664 -18.970 1.00 0.00 H new ATOM 0 HA TYR A 81 10.891 10.616 -18.710 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.519 8.660 -20.400 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.690 10.403 -20.457 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.299 7.386 -18.377 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.808 11.621 -18.600 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.891 7.298 -16.515 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.401 11.520 -16.738 1.00 0.00 H new ATOM 0 HH TYR A 81 16.459 10.243 -15.258 1.00 0.00 H new ATOM 1231 N LEU A 82 9.615 11.197 -20.734 1.00 0.00 N ATOM 1232 CA LEU A 82 8.899 11.656 -21.930 1.00 0.00 C ATOM 1233 C LEU A 82 9.799 12.672 -22.646 1.00 0.00 C ATOM 1234 O LEU A 82 9.847 13.846 -22.266 1.00 0.00 O ATOM 1235 CB LEU A 82 7.554 12.310 -21.510 1.00 0.00 C ATOM 1236 CG LEU A 82 6.693 12.974 -22.630 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.172 11.948 -23.655 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.536 13.795 -22.021 1.00 0.00 C ATOM 0 H LEU A 82 9.774 11.939 -20.052 1.00 0.00 H new ATOM 0 HA LEU A 82 8.674 10.825 -22.598 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.945 11.546 -21.027 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.770 13.069 -20.758 1.00 0.00 H new ATOM 0 HG LEU A 82 7.346 13.656 -23.175 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.579 12.460 -24.413 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.016 11.448 -24.131 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.552 11.209 -23.147 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.951 14.248 -22.821 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.897 13.139 -21.430 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.943 14.578 -21.381 1.00 0.00 H new ATOM 1250 N GLN A 83 10.538 12.216 -23.660 1.00 0.00 N ATOM 1251 CA GLN A 83 11.424 13.086 -24.441 1.00 0.00 C ATOM 1252 C GLN A 83 10.661 13.613 -25.661 1.00 0.00 C ATOM 1253 O GLN A 83 10.535 12.930 -26.674 1.00 0.00 O ATOM 1254 CB GLN A 83 12.708 12.319 -24.868 1.00 0.00 C ATOM 1255 CG GLN A 83 13.732 13.157 -25.664 1.00 0.00 C ATOM 1256 CD GLN A 83 14.157 14.441 -24.944 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.089 14.432 -24.143 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.487 15.558 -25.234 1.00 0.00 N ATOM 0 H GLN A 83 10.541 11.242 -23.962 1.00 0.00 H new ATOM 0 HA GLN A 83 11.739 13.931 -23.828 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.195 11.930 -23.974 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.416 11.459 -25.472 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.615 12.549 -25.859 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.304 13.417 -26.632 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.718 15.532 -25.904 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.744 16.438 -24.786 1.00 0.00 H new ATOM 1267 N MET A 84 10.153 14.838 -25.544 1.00 0.00 N ATOM 1268 CA MET A 84 9.422 15.511 -26.616 1.00 0.00 C ATOM 1269 C MET A 84 10.371 16.460 -27.346 1.00 0.00 C ATOM 1270 O MET A 84 10.847 17.420 -26.756 1.00 0.00 O ATOM 1271 CB MET A 84 8.203 16.274 -26.028 1.00 0.00 C ATOM 1272 CG MET A 84 7.173 15.366 -25.342 1.00 0.00 C ATOM 1273 SD MET A 84 5.629 16.212 -24.915 1.00 0.00 S ATOM 1274 CE MET A 84 6.135 17.333 -23.609 1.00 0.00 C ATOM 0 H MET A 84 10.238 15.397 -24.695 1.00 0.00 H new ATOM 0 HA MET A 84 9.044 14.778 -27.329 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.560 17.010 -25.308 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.711 16.825 -26.829 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.947 14.526 -25.999 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.613 14.952 -24.435 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.732 16.988 -22.657 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.223 17.360 -23.554 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.758 18.333 -23.822 1.00 0.00 H new ATOM 1284 N ASN A 85 10.705 16.151 -28.604 1.00 0.00 N ATOM 1285 CA ASN A 85 11.506 17.053 -29.456 1.00 0.00 C ATOM 1286 C ASN A 85 10.591 17.810 -30.413 1.00 0.00 C ATOM 1287 O ASN A 85 9.643 17.237 -30.956 1.00 0.00 O ATOM 1288 CB ASN A 85 12.616 16.293 -30.232 1.00 0.00 C ATOM 1289 CG ASN A 85 13.766 15.816 -29.335 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.555 15.392 -28.196 1.00 0.00 O ATOM 1291 ND2 ASN A 85 15.000 15.949 -29.814 1.00 0.00 N ATOM 0 H ASN A 85 10.434 15.280 -29.061 1.00 0.00 H new ATOM 0 HA ASN A 85 12.011 17.767 -28.806 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.174 15.432 -30.733 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.017 16.944 -31.009 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.802 15.698 -29.235 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.145 16.302 -30.760 1.00 0.00 H new ATOM 1298 N SER A 86 10.884 19.111 -30.579 1.00 0.00 N ATOM 1299 CA SER A 86 10.132 20.023 -31.445 1.00 0.00 C ATOM 1300 C SER A 86 8.656 20.084 -31.014 1.00 0.00 C ATOM 1301 O SER A 86 7.778 19.485 -31.643 1.00 0.00 O ATOM 1302 CB SER A 86 10.292 19.663 -32.944 1.00 0.00 C ATOM 1303 OG SER A 86 9.686 20.636 -33.777 1.00 0.00 O ATOM 0 H SER A 86 11.666 19.563 -30.104 1.00 0.00 H new ATOM 0 HA SER A 86 10.552 21.022 -31.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.351 19.581 -33.189 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.844 18.688 -33.135 1.00 0.00 H new ATOM 0 HG SER A 86 9.805 20.382 -34.716 1.00 0.00 H new ATOM 1309 N LEU A 87 8.421 20.738 -29.870 1.00 0.00 N ATOM 1310 CA LEU A 87 7.073 20.945 -29.333 1.00 0.00 C ATOM 1311 C LEU A 87 6.387 22.079 -30.093 1.00 0.00 C ATOM 1312 O LEU A 87 7.038 23.051 -30.502 1.00 0.00 O ATOM 1313 CB LEU A 87 7.094 21.266 -27.817 1.00 0.00 C ATOM 1314 CG LEU A 87 7.675 20.158 -26.881 1.00 0.00 C ATOM 1315 CD1 LEU A 87 9.209 20.182 -26.835 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.073 20.254 -25.466 1.00 0.00 C ATOM 0 H LEU A 87 9.160 21.138 -29.292 1.00 0.00 H new ATOM 0 HA LEU A 87 6.517 20.017 -29.464 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.673 22.177 -27.669 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.074 21.482 -27.499 1.00 0.00 H new ATOM 0 HG LEU A 87 7.386 19.197 -27.307 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.565 19.394 -26.172 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.606 20.020 -27.837 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.547 21.149 -26.463 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.496 19.471 -24.837 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.305 21.229 -25.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.991 20.131 -25.522 1.00 0.00 H new ATOM 1328 N LYS A 88 5.076 21.941 -30.284 1.00 0.00 N ATOM 1329 CA LYS A 88 4.258 22.941 -30.976 1.00 0.00 C ATOM 1330 C LYS A 88 3.789 23.989 -29.955 1.00 0.00 C ATOM 1331 O LYS A 88 3.694 23.668 -28.772 1.00 0.00 O ATOM 1332 CB LYS A 88 3.055 22.242 -31.677 1.00 0.00 C ATOM 1333 CG LYS A 88 3.441 21.005 -32.530 1.00 0.00 C ATOM 1334 CD LYS A 88 4.548 21.295 -33.575 1.00 0.00 C ATOM 1335 CE LYS A 88 4.158 22.378 -34.601 1.00 0.00 C ATOM 1336 NZ LYS A 88 5.305 22.743 -35.464 1.00 0.00 N ATOM 0 H LYS A 88 4.547 21.130 -29.963 1.00 0.00 H new ATOM 0 HA LYS A 88 4.841 23.445 -31.747 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.336 21.934 -30.917 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.552 22.967 -32.317 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.778 20.208 -31.868 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.553 20.638 -33.045 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.454 21.608 -33.056 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.787 20.373 -34.105 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.336 22.017 -35.219 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.798 23.264 -34.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.010 23.473 -36.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.079 23.110 -34.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.632 21.902 -35.981 1.00 0.00 H new ATOM 1350 N PRO A 89 3.492 25.261 -30.376 1.00 0.00 N ATOM 1351 CA PRO A 89 3.072 26.327 -29.426 1.00 0.00 C ATOM 1352 C PRO A 89 1.731 26.000 -28.715 1.00 0.00 C ATOM 1353 O PRO A 89 1.418 26.571 -27.660 1.00 0.00 O ATOM 1354 CB PRO A 89 2.966 27.586 -30.328 1.00 0.00 C ATOM 1355 CG PRO A 89 2.747 27.047 -31.710 1.00 0.00 C ATOM 1356 CD PRO A 89 3.540 25.764 -31.775 1.00 0.00 C ATOM 0 HA PRO A 89 3.775 26.452 -28.602 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.141 28.227 -30.018 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.874 28.187 -30.277 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.689 26.864 -31.896 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.086 27.756 -32.466 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.098 25.053 -32.473 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.564 25.940 -32.104 1.00 0.00 H new ATOM 1364 N GLU A 90 0.964 25.058 -29.300 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.320 24.579 -28.740 1.00 0.00 C ATOM 1366 C GLU A 90 -0.119 23.429 -27.716 1.00 0.00 C ATOM 1367 O GLU A 90 -1.096 22.893 -27.186 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.266 24.163 -29.899 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.699 23.081 -30.846 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.592 22.835 -32.077 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -1.477 23.595 -33.064 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -2.415 21.895 -32.063 1.00 0.00 O ATOM 0 H GLU A 90 1.217 24.605 -30.178 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.782 25.396 -28.185 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.200 23.798 -29.473 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.508 25.049 -30.487 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.295 23.381 -31.178 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.583 22.148 -30.295 1.00 0.00 H new ATOM 1379 N ASP A 91 1.155 23.081 -27.420 1.00 0.00 N ATOM 1380 CA ASP A 91 1.522 22.193 -26.285 1.00 0.00 C ATOM 1381 C ASP A 91 1.764 23.039 -25.007 1.00 0.00 C ATOM 1382 O ASP A 91 2.529 22.651 -24.115 1.00 0.00 O ATOM 1383 CB ASP A 91 2.779 21.327 -26.627 1.00 0.00 C ATOM 1384 CG ASP A 91 2.525 20.255 -27.707 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.720 20.540 -28.903 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.127 19.119 -27.359 1.00 0.00 O ATOM 0 H ASP A 91 1.958 23.406 -27.958 1.00 0.00 H new ATOM 0 HA ASP A 91 0.694 21.509 -26.101 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.580 21.985 -26.963 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.129 20.837 -25.718 1.00 0.00 H new ATOM 1391 N THR A 92 1.120 24.216 -24.935 1.00 0.00 N ATOM 1392 CA THR A 92 1.010 24.995 -23.699 1.00 0.00 C ATOM 1393 C THR A 92 -0.172 24.434 -22.880 1.00 0.00 C ATOM 1394 O THR A 92 -1.334 24.786 -23.126 1.00 0.00 O ATOM 1395 CB THR A 92 0.817 26.514 -24.012 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.947 26.985 -24.752 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.645 27.373 -22.744 1.00 0.00 C ATOM 0 H THR A 92 0.662 24.651 -25.736 1.00 0.00 H new ATOM 0 HA THR A 92 1.929 24.908 -23.120 1.00 0.00 H new ATOM 0 HB THR A 92 -0.101 26.612 -24.591 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.788 26.854 -25.710 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.515 28.418 -23.027 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.232 27.035 -22.192 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.530 27.275 -22.115 1.00 0.00 H new ATOM 1405 N ALA A 93 0.142 23.511 -21.960 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.856 22.787 -21.155 1.00 0.00 C ATOM 1407 C ALA A 93 -0.187 22.180 -19.904 1.00 0.00 C ATOM 1408 O ALA A 93 0.955 22.507 -19.573 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.531 21.700 -22.024 1.00 0.00 C ATOM 0 H ALA A 93 1.104 23.243 -21.751 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.627 23.478 -20.815 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.270 21.164 -21.428 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.023 22.169 -22.876 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.776 21.000 -22.382 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.913 21.313 -19.194 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.383 20.558 -18.055 1.00 0.00 C ATOM 1417 C VAL A 94 -0.379 19.054 -18.401 1.00 0.00 C ATOM 1418 O VAL A 94 -1.426 18.435 -18.556 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.203 20.872 -16.738 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.730 20.722 -16.932 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.706 20.025 -15.551 1.00 0.00 C ATOM 0 H VAL A 94 -1.893 21.113 -19.395 1.00 0.00 H new ATOM 0 HA VAL A 94 0.644 20.864 -17.857 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.021 21.921 -16.506 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.240 20.950 -15.996 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.068 21.411 -17.706 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.960 19.699 -17.231 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.290 20.265 -14.663 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.821 18.967 -15.786 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.345 20.243 -15.364 1.00 0.00 H new ATOM 1431 N TYR A 95 0.818 18.483 -18.570 1.00 0.00 N ATOM 1432 CA TYR A 95 0.993 17.044 -18.843 1.00 0.00 C ATOM 1433 C TYR A 95 0.990 16.265 -17.525 1.00 0.00 C ATOM 1434 O TYR A 95 1.325 16.809 -16.477 1.00 0.00 O ATOM 1435 CB TYR A 95 2.321 16.780 -19.619 1.00 0.00 C ATOM 1436 CG TYR A 95 2.202 16.856 -21.148 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.506 15.748 -21.945 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.801 18.025 -21.795 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.423 15.808 -23.318 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.714 18.086 -23.173 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.029 16.974 -23.925 1.00 0.00 C ATOM 1442 OH TYR A 95 1.954 17.028 -25.290 1.00 0.00 O ATOM 0 H TYR A 95 1.695 19.001 -18.522 1.00 0.00 H new ATOM 0 HA TYR A 95 0.164 16.706 -19.466 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.067 17.504 -19.291 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.694 15.793 -19.347 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.812 14.826 -21.474 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.554 18.898 -21.209 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.667 14.941 -23.915 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.401 18.999 -23.658 1.00 0.00 H new ATOM 0 HH TYR A 95 2.060 17.956 -25.587 1.00 0.00 H new ATOM 1452 N LEU A 96 0.586 14.994 -17.601 1.00 0.00 N ATOM 1453 CA LEU A 96 0.632 14.067 -16.472 1.00 0.00 C ATOM 1454 C LEU A 96 0.925 12.643 -16.965 1.00 0.00 C ATOM 1455 O LEU A 96 0.531 12.259 -18.071 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.665 14.168 -15.596 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.063 14.098 -16.321 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.461 12.656 -16.713 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.172 14.758 -15.458 1.00 0.00 C ATOM 0 H LEU A 96 0.215 14.578 -18.455 1.00 0.00 H new ATOM 0 HA LEU A 96 1.454 14.349 -15.813 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.632 13.366 -14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.622 15.108 -15.046 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.960 14.661 -17.248 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.432 12.668 -17.208 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.713 12.244 -17.390 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.519 12.038 -15.817 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.126 14.696 -15.982 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.248 14.238 -14.503 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.922 15.804 -15.282 1.00 0.00 H new ATOM 1471 N CYS A 97 1.631 11.880 -16.131 1.00 0.00 N ATOM 1472 CA CYS A 97 1.982 10.480 -16.404 1.00 0.00 C ATOM 1473 C CYS A 97 0.862 9.569 -15.890 1.00 0.00 C ATOM 1474 O CYS A 97 0.017 10.007 -15.121 1.00 0.00 O ATOM 1475 CB CYS A 97 3.324 10.129 -15.725 1.00 0.00 C ATOM 1476 SG CYS A 97 3.952 8.482 -16.120 1.00 0.00 S ATOM 0 H CYS A 97 1.981 12.218 -15.235 1.00 0.00 H new ATOM 0 HA CYS A 97 2.095 10.333 -17.478 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.069 10.869 -16.017 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.202 10.209 -14.645 1.00 0.00 H new ATOM 0 HG CYS A 97 3.423 8.071 -17.234 1.00 0.00 H new ATOM 1482 N ALA A 98 0.813 8.331 -16.365 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.172 7.339 -15.915 1.00 0.00 C ATOM 1484 C ALA A 98 0.552 6.106 -15.377 1.00 0.00 C ATOM 1485 O ALA A 98 1.721 5.864 -15.712 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.128 6.963 -17.052 1.00 0.00 C ATOM 0 H ALA A 98 1.455 7.979 -17.076 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.771 7.773 -15.114 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.848 6.227 -16.694 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.658 7.853 -17.391 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.560 6.541 -17.881 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.155 5.347 -14.546 1.00 0.00 N ATOM 1493 CA ALA A 99 0.348 4.119 -13.921 1.00 0.00 C ATOM 1494 C ALA A 99 -0.824 3.179 -13.624 1.00 0.00 C ATOM 1495 O ALA A 99 -1.982 3.585 -13.704 1.00 0.00 O ATOM 1496 CB ALA A 99 1.132 4.443 -12.636 1.00 0.00 C ATOM 0 H ALA A 99 -1.114 5.569 -14.280 1.00 0.00 H new ATOM 0 HA ALA A 99 1.033 3.623 -14.609 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.496 3.518 -12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.978 5.086 -12.878 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.478 4.954 -11.930 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.510 1.922 -13.301 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.517 0.912 -12.980 1.00 0.00 C ATOM 1504 C GLY A 100 -1.070 -0.476 -13.390 1.00 0.00 C ATOM 1505 O GLY A 100 0.121 -0.718 -13.570 1.00 0.00 O ATOM 0 H GLY A 100 0.449 1.578 -13.255 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.719 0.927 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.452 1.157 -13.484 1.00 0.00 H new ATOM 1509 N VAL A 101 -2.027 -1.396 -13.535 1.00 0.00 N ATOM 1510 CA VAL A 101 -1.757 -2.803 -13.901 1.00 0.00 C ATOM 1511 C VAL A 101 -2.548 -3.185 -15.162 1.00 0.00 C ATOM 1512 O VAL A 101 -3.434 -2.441 -15.597 1.00 0.00 O ATOM 1513 CB VAL A 101 -2.100 -3.782 -12.710 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -1.154 -3.552 -11.499 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -3.591 -3.658 -12.286 1.00 0.00 C ATOM 0 H VAL A 101 -3.018 -1.193 -13.403 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.692 -2.900 -14.112 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.941 -4.799 -13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.416 -4.241 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.122 -3.727 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.259 -2.526 -11.145 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.794 -4.345 -11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.794 -2.637 -11.964 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.232 -3.905 -13.132 1.00 0.00 H new ATOM 1525 N TRP A 102 -2.204 -4.341 -15.747 1.00 0.00 N ATOM 1526 CA TRP A 102 -2.868 -4.859 -16.955 1.00 0.00 C ATOM 1527 C TRP A 102 -4.158 -5.610 -16.580 1.00 0.00 C ATOM 1528 O TRP A 102 -4.218 -6.277 -15.538 1.00 0.00 O ATOM 1529 CB TRP A 102 -1.905 -5.776 -17.765 1.00 0.00 C ATOM 1530 CG TRP A 102 -1.371 -6.991 -17.013 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -0.258 -7.041 -16.218 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -1.916 -8.327 -17.001 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -0.097 -8.298 -15.701 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -1.098 -9.106 -16.163 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -3.029 -8.930 -17.596 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -1.339 -10.459 -15.926 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 -3.270 -10.272 -17.362 1.00 0.00 C ATOM 1538 CH2 TRP A 102 -2.435 -11.021 -16.522 1.00 0.00 C ATOM 0 H TRP A 102 -1.459 -4.944 -15.398 1.00 0.00 H new ATOM 0 HA TRP A 102 -3.137 -4.014 -17.589 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -2.426 -6.123 -18.658 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.059 -5.178 -18.102 1.00 0.00 H new ATOM 0 HD1 TRP A 102 0.400 -6.207 -16.026 1.00 0.00 H new ATOM 0 HE1 TRP A 102 0.651 -8.586 -15.071 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.690 -8.357 -18.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -0.684 -11.042 -15.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.115 -10.750 -17.834 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.661 -12.062 -16.342 1.00 0.00 H new ATOM 1549 N ARG A 103 -5.186 -5.485 -17.436 1.00 0.00 N ATOM 1550 CA ARG A 103 -6.470 -6.194 -17.273 1.00 0.00 C ATOM 1551 C ARG A 103 -6.404 -7.551 -18.006 1.00 0.00 C ATOM 1552 O ARG A 103 -5.825 -7.637 -19.091 1.00 0.00 O ATOM 1553 CB ARG A 103 -7.620 -5.320 -17.842 1.00 0.00 C ATOM 1554 CG ARG A 103 -9.043 -5.895 -17.674 1.00 0.00 C ATOM 1555 CD ARG A 103 -9.489 -5.995 -16.204 1.00 0.00 C ATOM 1556 NE ARG A 103 -10.854 -6.553 -16.081 1.00 0.00 N ATOM 1557 CZ ARG A 103 -11.664 -6.428 -15.017 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -11.306 -5.723 -13.953 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -12.853 -7.004 -15.033 1.00 0.00 N ATOM 0 H ARG A 103 -5.152 -4.889 -18.263 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.661 -6.377 -16.216 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.583 -4.344 -17.359 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.437 -5.157 -18.904 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.748 -5.267 -18.219 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.083 -6.886 -18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.789 -6.623 -15.654 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.458 -5.006 -15.747 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.212 -7.081 -16.877 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.397 -5.260 -13.930 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.939 -5.643 -13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.150 -7.539 -15.849 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.474 -6.914 -14.229 1.00 0.00 H new ATOM 1573 N SER A 104 -7.027 -8.594 -17.424 1.00 0.00 N ATOM 1574 CA SER A 104 -7.015 -9.967 -17.986 1.00 0.00 C ATOM 1575 C SER A 104 -7.788 -10.069 -19.326 1.00 0.00 C ATOM 1576 O SER A 104 -7.575 -11.008 -20.103 1.00 0.00 O ATOM 1577 CB SER A 104 -7.587 -10.956 -16.948 1.00 0.00 C ATOM 1578 OG SER A 104 -6.851 -10.903 -15.733 1.00 0.00 O ATOM 0 H SER A 104 -7.552 -8.513 -16.553 1.00 0.00 H new ATOM 0 HA SER A 104 -5.979 -10.225 -18.207 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.633 -10.720 -16.754 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.558 -11.968 -17.351 1.00 0.00 H new ATOM 0 HG SER A 104 -7.233 -11.537 -15.091 1.00 0.00 H new ATOM 1584 N SER A 105 -8.680 -9.095 -19.576 1.00 0.00 N ATOM 1585 CA SER A 105 -9.428 -8.971 -20.845 1.00 0.00 C ATOM 1586 C SER A 105 -8.505 -8.523 -22.002 1.00 0.00 C ATOM 1587 O SER A 105 -8.813 -8.753 -23.177 1.00 0.00 O ATOM 1588 CB SER A 105 -10.578 -7.955 -20.652 1.00 0.00 C ATOM 1589 OG SER A 105 -11.351 -7.780 -21.831 1.00 0.00 O ATOM 0 H SER A 105 -8.906 -8.365 -18.900 1.00 0.00 H new ATOM 0 HA SER A 105 -9.834 -9.947 -21.111 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.226 -8.293 -19.843 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.163 -6.994 -20.347 1.00 0.00 H new ATOM 0 HG SER A 105 -12.065 -7.131 -21.660 1.00 0.00 H new ATOM 1595 N GLY A 106 -7.380 -7.871 -21.652 1.00 0.00 N ATOM 1596 CA GLY A 106 -6.425 -7.343 -22.644 1.00 0.00 C ATOM 1597 C GLY A 106 -6.526 -5.827 -22.803 1.00 0.00 C ATOM 1598 O GLY A 106 -5.787 -5.225 -23.590 1.00 0.00 O ATOM 0 H GLY A 106 -7.110 -7.697 -20.684 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.411 -7.607 -22.344 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.606 -7.819 -23.608 1.00 0.00 H new ATOM 1602 N TRP A 107 -7.460 -5.222 -22.052 1.00 0.00 N ATOM 1603 CA TRP A 107 -7.670 -3.761 -22.013 1.00 0.00 C ATOM 1604 C TRP A 107 -6.594 -3.088 -21.129 1.00 0.00 C ATOM 1605 O TRP A 107 -6.106 -3.695 -20.170 1.00 0.00 O ATOM 1606 CB TRP A 107 -9.107 -3.474 -21.477 1.00 0.00 C ATOM 1607 CG TRP A 107 -9.501 -2.011 -21.446 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -9.449 -1.169 -20.373 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -10.009 -1.229 -22.537 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -9.853 0.084 -20.734 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -10.209 0.076 -22.053 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -10.297 -1.501 -23.881 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -10.693 1.105 -22.857 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -10.783 -0.481 -24.677 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -10.970 0.811 -24.165 1.00 0.00 C ATOM 0 H TRP A 107 -8.099 -5.737 -21.447 1.00 0.00 H new ATOM 0 HA TRP A 107 -7.576 -3.343 -23.015 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -9.823 -4.014 -22.096 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -9.189 -3.878 -20.468 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -9.133 -1.453 -19.380 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -9.884 0.896 -20.118 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.142 -2.490 -24.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -10.844 2.099 -22.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -11.023 -0.682 -25.711 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -11.340 1.590 -24.816 1.00 0.00 H new ATOM 1626 N ASP A 108 -6.225 -1.840 -21.465 1.00 0.00 N ATOM 1627 CA ASP A 108 -5.247 -1.051 -20.687 1.00 0.00 C ATOM 1628 C ASP A 108 -5.978 -0.144 -19.692 1.00 0.00 C ATOM 1629 O ASP A 108 -6.828 0.661 -20.091 1.00 0.00 O ATOM 1630 CB ASP A 108 -4.346 -0.209 -21.624 1.00 0.00 C ATOM 1631 CG ASP A 108 -3.200 0.507 -20.872 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -3.341 1.702 -20.535 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -2.161 -0.139 -20.617 1.00 0.00 O ATOM 0 H ASP A 108 -6.593 -1.349 -22.280 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.609 -1.741 -20.135 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.922 -0.857 -22.391 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.957 0.534 -22.137 1.00 0.00 H new ATOM 1638 N THR A 109 -5.652 -0.279 -18.398 1.00 0.00 N ATOM 1639 CA THR A 109 -6.279 0.507 -17.330 1.00 0.00 C ATOM 1640 C THR A 109 -5.230 1.407 -16.631 1.00 0.00 C ATOM 1641 O THR A 109 -4.391 0.905 -15.863 1.00 0.00 O ATOM 1642 CB THR A 109 -6.975 -0.439 -16.278 1.00 0.00 C ATOM 1643 OG1 THR A 109 -6.061 -1.465 -15.850 1.00 0.00 O ATOM 1644 CG2 THR A 109 -8.246 -1.099 -16.840 1.00 0.00 C ATOM 0 H THR A 109 -4.947 -0.936 -18.065 1.00 0.00 H new ATOM 0 HA THR A 109 -7.041 1.144 -17.779 1.00 0.00 H new ATOM 0 HB THR A 109 -7.263 0.185 -15.432 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.165 -1.082 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.690 -1.741 -16.079 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.961 -0.327 -17.126 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.989 -1.697 -17.714 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.238 2.753 -16.912 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.532 3.744 -16.076 1.00 0.00 C ATOM 1654 C PRO A 110 -5.256 3.912 -14.722 1.00 0.00 C ATOM 1655 O PRO A 110 -6.277 4.602 -14.634 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.551 5.051 -16.928 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.972 4.614 -18.304 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.853 3.402 -18.097 1.00 0.00 C ATOM 0 HA PRO A 110 -3.512 3.451 -15.825 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.248 5.781 -16.515 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.569 5.524 -16.947 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.513 5.408 -18.818 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.106 4.368 -18.919 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.890 3.682 -17.913 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.849 2.745 -18.967 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.750 3.216 -13.693 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.325 3.245 -12.335 1.00 0.00 C ATOM 1668 C ASP A 111 -4.941 4.558 -11.626 1.00 0.00 C ATOM 1669 O ASP A 111 -5.768 5.190 -10.969 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.835 2.016 -11.520 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.602 1.823 -10.196 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.681 1.196 -10.214 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -5.141 2.294 -9.137 1.00 0.00 O ATOM 0 H ASP A 111 -3.930 2.616 -13.777 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.412 3.198 -12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.941 1.118 -12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.773 2.131 -11.304 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.670 4.946 -11.784 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.104 6.187 -11.228 1.00 0.00 C ATOM 1680 C TYR A 112 -2.748 7.162 -12.351 1.00 0.00 C ATOM 1681 O TYR A 112 -2.590 6.768 -13.510 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.833 5.886 -10.386 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.110 5.093 -9.108 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -1.968 3.706 -9.070 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.526 5.738 -7.938 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -2.232 2.995 -7.919 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.786 5.028 -6.785 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.642 3.658 -6.782 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.916 2.944 -5.636 1.00 0.00 O ATOM 0 H TYR A 112 -2.991 4.398 -12.312 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.858 6.638 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.125 5.330 -11.001 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.353 6.828 -10.121 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.646 3.181 -9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.646 6.811 -7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.118 1.921 -7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.101 5.543 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.065 3.564 -4.892 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.628 8.440 -11.974 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.168 9.529 -12.850 1.00 0.00 C ATOM 1701 C TRP A 113 -1.191 10.420 -12.065 1.00 0.00 C ATOM 1702 O TRP A 113 -1.098 10.321 -10.829 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.357 10.358 -13.414 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.203 9.619 -14.437 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -3.927 9.461 -15.770 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.451 8.939 -14.212 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -4.926 8.748 -16.379 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.871 8.419 -15.447 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.259 8.735 -13.087 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.052 7.696 -15.588 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.431 8.016 -13.228 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.822 7.510 -14.473 1.00 0.00 C ATOM 0 H TRP A 113 -2.853 8.755 -11.030 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.656 9.098 -13.711 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.995 10.666 -12.586 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.967 11.267 -13.871 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.049 9.843 -16.269 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.959 8.502 -17.368 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.971 9.133 -12.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.350 7.295 -16.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.055 7.842 -12.364 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.749 6.962 -14.555 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.452 11.269 -12.792 1.00 0.00 N ATOM 1724 CA GLY A 114 0.590 12.110 -12.208 1.00 0.00 C ATOM 1725 C GLY A 114 0.048 13.350 -11.512 1.00 0.00 C ATOM 1726 O GLY A 114 -1.155 13.647 -11.589 1.00 0.00 O ATOM 0 H GLY A 114 -0.563 11.389 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.162 11.521 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.281 12.416 -12.993 1.00 0.00 H new ATOM 1730 N GLN A 115 0.946 14.090 -10.844 1.00 0.00 N ATOM 1731 CA GLN A 115 0.585 15.294 -10.063 1.00 0.00 C ATOM 1732 C GLN A 115 0.225 16.475 -10.985 1.00 0.00 C ATOM 1733 O GLN A 115 -0.433 17.431 -10.552 1.00 0.00 O ATOM 1734 CB GLN A 115 1.753 15.699 -9.121 1.00 0.00 C ATOM 1735 CG GLN A 115 2.218 14.597 -8.152 1.00 0.00 C ATOM 1736 CD GLN A 115 1.097 14.058 -7.256 1.00 0.00 C ATOM 1737 OE1 GLN A 115 0.394 13.110 -7.614 1.00 0.00 O ATOM 1738 NE2 GLN A 115 0.914 14.660 -6.088 1.00 0.00 N ATOM 0 H GLN A 115 1.943 13.875 -10.827 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.292 15.048 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.602 16.008 -9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.446 16.568 -8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.641 13.773 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.017 14.990 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.511 15.442 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.176 14.341 -5.460 1.00 0.00 H new ATOM 1747 N GLY A 116 0.668 16.390 -12.249 1.00 0.00 N ATOM 1748 CA GLY A 116 0.426 17.429 -13.236 1.00 0.00 C ATOM 1749 C GLY A 116 1.591 18.404 -13.317 1.00 0.00 C ATOM 1750 O GLY A 116 1.723 19.300 -12.472 1.00 0.00 O ATOM 0 H GLY A 116 1.202 15.597 -12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.263 16.973 -14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.485 17.970 -12.980 1.00 0.00 H new ATOM 1754 N THR A 117 2.449 18.219 -14.327 1.00 0.00 N ATOM 1755 CA THR A 117 3.568 19.121 -14.614 1.00 0.00 C ATOM 1756 C THR A 117 3.190 20.091 -15.770 1.00 0.00 C ATOM 1757 O THR A 117 2.900 19.670 -16.899 1.00 0.00 O ATOM 1758 CB THR A 117 4.880 18.314 -14.935 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.957 19.215 -15.242 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.705 17.304 -16.087 1.00 0.00 C ATOM 0 H THR A 117 2.385 17.432 -14.973 1.00 0.00 H new ATOM 0 HA THR A 117 3.772 19.718 -13.725 1.00 0.00 H new ATOM 0 HB THR A 117 5.115 17.740 -14.039 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.768 18.701 -15.438 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.646 16.781 -16.258 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.931 16.583 -15.824 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.414 17.834 -16.994 1.00 0.00 H new ATOM 1768 N GLN A 118 3.154 21.398 -15.446 1.00 0.00 N ATOM 1769 CA GLN A 118 2.831 22.472 -16.400 1.00 0.00 C ATOM 1770 C GLN A 118 3.990 22.684 -17.387 1.00 0.00 C ATOM 1771 O GLN A 118 5.083 23.103 -16.990 1.00 0.00 O ATOM 1772 CB GLN A 118 2.523 23.795 -15.631 1.00 0.00 C ATOM 1773 CG GLN A 118 1.183 23.808 -14.850 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.058 24.250 -15.666 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -1.008 24.797 -15.101 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.064 24.039 -16.987 1.00 0.00 N ATOM 0 H GLN A 118 3.351 21.739 -14.505 1.00 0.00 H new ATOM 0 HA GLN A 118 1.947 22.180 -16.968 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.335 23.987 -14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.517 24.619 -16.345 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.001 22.807 -14.458 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.288 24.473 -13.992 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.732 23.585 -17.435 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.865 24.332 -17.547 1.00 0.00 H new ATOM 1785 N VAL A 119 3.753 22.350 -18.662 1.00 0.00 N ATOM 1786 CA VAL A 119 4.681 22.641 -19.766 1.00 0.00 C ATOM 1787 C VAL A 119 4.090 23.795 -20.608 1.00 0.00 C ATOM 1788 O VAL A 119 2.927 23.757 -21.008 1.00 0.00 O ATOM 1789 CB VAL A 119 4.964 21.354 -20.645 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.558 20.213 -19.773 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.703 20.866 -21.406 1.00 0.00 C ATOM 0 H VAL A 119 2.906 21.867 -18.960 1.00 0.00 H new ATOM 0 HA VAL A 119 5.646 22.946 -19.362 1.00 0.00 H new ATOM 0 HB VAL A 119 5.698 21.639 -21.399 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.745 19.338 -20.396 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.494 20.547 -19.326 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.852 19.952 -18.985 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.952 19.982 -21.993 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.919 20.618 -20.690 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.351 21.655 -22.070 1.00 0.00 H new ATOM 1801 N THR A 120 4.870 24.852 -20.822 1.00 0.00 N ATOM 1802 CA THR A 120 4.415 26.037 -21.562 1.00 0.00 C ATOM 1803 C THR A 120 5.320 26.233 -22.774 1.00 0.00 C ATOM 1804 O THR A 120 6.468 26.639 -22.635 1.00 0.00 O ATOM 1805 CB THR A 120 4.429 27.295 -20.631 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.633 27.029 -19.468 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.901 28.565 -21.326 1.00 0.00 C ATOM 0 H THR A 120 5.833 24.916 -20.491 1.00 0.00 H new ATOM 0 HA THR A 120 3.390 25.896 -21.904 1.00 0.00 H new ATOM 0 HB THR A 120 5.468 27.484 -20.362 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.640 27.813 -18.881 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.936 29.402 -20.629 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.521 28.789 -22.194 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.872 28.403 -21.647 1.00 0.00 H new ATOM 1815 N VAL A 121 4.825 25.887 -23.966 1.00 0.00 N ATOM 1816 CA VAL A 121 5.597 26.090 -25.194 1.00 0.00 C ATOM 1817 C VAL A 121 5.232 27.452 -25.791 1.00 0.00 C ATOM 1818 O VAL A 121 4.189 27.598 -26.439 1.00 0.00 O ATOM 1819 CB VAL A 121 5.364 24.947 -26.226 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.339 25.063 -27.424 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.475 23.570 -25.540 1.00 0.00 C ATOM 0 H VAL A 121 3.905 25.470 -24.106 1.00 0.00 H new ATOM 0 HA VAL A 121 6.658 26.070 -24.946 1.00 0.00 H new ATOM 0 HB VAL A 121 4.354 25.047 -26.622 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.151 24.251 -28.126 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.187 26.019 -27.925 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.366 25.001 -27.064 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.309 22.783 -26.275 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.469 23.459 -25.107 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.725 23.494 -24.753 1.00 0.00 H new ATOM 1831 N SER A 122 6.077 28.464 -25.513 1.00 0.00 N ATOM 1832 CA SER A 122 5.905 29.809 -26.076 1.00 0.00 C ATOM 1833 C SER A 122 6.235 29.819 -27.586 1.00 0.00 C ATOM 1834 O SER A 122 7.118 29.081 -28.040 1.00 0.00 O ATOM 1835 CB SER A 122 6.800 30.814 -25.326 1.00 0.00 C ATOM 1836 OG SER A 122 6.495 32.147 -25.690 1.00 0.00 O ATOM 0 H SER A 122 6.887 28.370 -24.900 1.00 0.00 H new ATOM 0 HA SER A 122 4.863 30.103 -25.954 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.669 30.689 -24.251 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.847 30.606 -25.545 1.00 0.00 H new ATOM 0 HG SER A 122 6.679 32.743 -24.934 1.00 0.00 H new ATOM 1842 N SER A 123 5.520 30.664 -28.347 1.00 0.00 N ATOM 1843 CA SER A 123 5.759 30.849 -29.781 1.00 0.00 C ATOM 1844 C SER A 123 7.074 31.624 -30.007 1.00 0.00 C ATOM 1845 O SER A 123 7.078 32.861 -30.051 1.00 0.00 O ATOM 1846 CB SER A 123 4.559 31.582 -30.426 1.00 0.00 C ATOM 1847 OG SER A 123 3.350 30.867 -30.228 1.00 0.00 O ATOM 0 H SER A 123 4.760 31.237 -27.981 1.00 0.00 H new ATOM 0 HA SER A 123 5.858 29.874 -30.257 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.468 32.580 -29.998 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.739 31.708 -31.494 1.00 0.00 H new ATOM 0 HG SER A 123 2.609 31.355 -30.645 1.00 0.00 H new ATOM 1853 N LEU A 124 8.194 30.860 -30.049 1.00 0.00 N ATOM 1854 CA LEU A 124 9.551 31.370 -30.357 1.00 0.00 C ATOM 1855 C LEU A 124 9.991 32.489 -29.384 1.00 0.00 C ATOM 1856 O LEU A 124 10.808 33.342 -29.736 1.00 0.00 O ATOM 1857 CB LEU A 124 9.657 31.823 -31.858 1.00 0.00 C ATOM 1858 CG LEU A 124 9.618 30.698 -32.947 1.00 0.00 C ATOM 1859 CD1 LEU A 124 10.675 29.614 -32.669 1.00 0.00 C ATOM 1860 CD2 LEU A 124 8.210 30.091 -33.110 1.00 0.00 C ATOM 0 H LEU A 124 8.178 29.857 -29.867 1.00 0.00 H new ATOM 0 HA LEU A 124 10.248 30.545 -30.211 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.842 32.518 -32.060 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.587 32.379 -31.979 1.00 0.00 H new ATOM 0 HG LEU A 124 9.867 31.167 -33.899 1.00 0.00 H new ATOM 0 HD11 LEU A 124 10.622 28.848 -33.442 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.668 30.065 -32.671 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.485 29.161 -31.696 1.00 0.00 H new ATOM 0 HD21 LEU A 124 8.234 29.316 -33.876 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.890 29.656 -32.163 1.00 0.00 H new ATOM 0 HD23 LEU A 124 7.509 30.872 -33.406 1.00 0.00 H new ATOM 1872 N GLU A 125 9.461 32.451 -28.146 1.00 0.00 N ATOM 1873 CA GLU A 125 9.776 33.431 -27.086 1.00 0.00 C ATOM 1874 C GLU A 125 10.247 32.727 -25.808 1.00 0.00 C ATOM 1875 O GLU A 125 10.105 31.508 -25.661 1.00 0.00 O ATOM 1876 CB GLU A 125 8.546 34.338 -26.798 1.00 0.00 C ATOM 1877 CG GLU A 125 8.220 35.359 -27.909 1.00 0.00 C ATOM 1878 CD GLU A 125 9.322 36.416 -28.095 1.00 0.00 C ATOM 1879 OE1 GLU A 125 10.160 36.280 -29.014 1.00 0.00 O ATOM 1880 OE2 GLU A 125 9.378 37.375 -27.289 1.00 0.00 O ATOM 0 H GLU A 125 8.798 31.735 -27.851 1.00 0.00 H new ATOM 0 HA GLU A 125 10.592 34.062 -27.439 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.674 33.704 -26.640 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.721 34.878 -25.867 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.070 34.829 -28.850 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.281 35.859 -27.672 1.00 0.00 H new ATOM 1887 N HIS A 126 10.835 33.520 -24.901 1.00 0.00 N ATOM 1888 CA HIS A 126 11.381 33.053 -23.617 1.00 0.00 C ATOM 1889 C HIS A 126 11.029 34.075 -22.529 1.00 0.00 C ATOM 1890 O HIS A 126 10.590 35.193 -22.840 1.00 0.00 O ATOM 1891 CB HIS A 126 12.920 32.874 -23.715 1.00 0.00 C ATOM 1892 CG HIS A 126 13.351 31.863 -24.745 1.00 0.00 C ATOM 1893 ND1 HIS A 126 13.668 32.201 -26.043 1.00 0.00 N ATOM 1894 CD2 HIS A 126 13.492 30.521 -24.670 1.00 0.00 C ATOM 1895 CE1 HIS A 126 13.986 31.118 -26.714 1.00 0.00 C ATOM 1896 NE2 HIS A 126 13.886 30.085 -25.907 1.00 0.00 N ATOM 0 H HIS A 126 10.947 34.524 -25.041 1.00 0.00 H new ATOM 0 HA HIS A 126 10.946 32.086 -23.365 1.00 0.00 H new ATOM 0 HB2 HIS A 126 13.374 33.836 -23.952 1.00 0.00 H new ATOM 0 HB3 HIS A 126 13.304 32.572 -22.741 1.00 0.00 H new ATOM 0 HD2 HIS A 126 13.325 29.907 -23.797 1.00 0.00 H new ATOM 0 HE1 HIS A 126 14.280 31.082 -27.753 1.00 0.00 H new ATOM 0 HE2 HIS A 126 14.072 29.115 -26.161 1.00 0.00 H new ATOM 1905 N HIS A 127 11.214 33.692 -21.252 1.00 0.00 N ATOM 1906 CA HIS A 127 10.914 34.564 -20.095 1.00 0.00 C ATOM 1907 C HIS A 127 12.090 34.576 -19.104 1.00 0.00 C ATOM 1908 O HIS A 127 12.577 33.520 -18.685 1.00 0.00 O ATOM 1909 CB HIS A 127 9.602 34.117 -19.386 1.00 0.00 C ATOM 1910 CG HIS A 127 8.341 34.539 -20.096 1.00 0.00 C ATOM 1911 ND1 HIS A 127 7.587 35.621 -19.700 1.00 0.00 N ATOM 1912 CD2 HIS A 127 7.704 34.020 -21.169 1.00 0.00 C ATOM 1913 CE1 HIS A 127 6.545 35.745 -20.492 1.00 0.00 C ATOM 1914 NE2 HIS A 127 6.590 34.785 -21.394 1.00 0.00 N ATOM 0 H HIS A 127 11.574 32.774 -20.991 1.00 0.00 H new ATOM 0 HA HIS A 127 10.768 35.578 -20.466 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.606 33.031 -19.290 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.591 34.526 -18.376 1.00 0.00 H new ATOM 0 HD2 HIS A 127 8.016 33.160 -21.743 1.00 0.00 H new ATOM 0 HE1 HIS A 127 5.781 36.505 -20.416 1.00 0.00 H new ATOM 0 HE2 HIS A 127 5.908 34.636 -22.137 1.00 0.00 H new ATOM 1923 N HIS A 128 12.525 35.797 -18.744 1.00 0.00 N ATOM 1924 CA HIS A 128 13.594 36.051 -17.763 1.00 0.00 C ATOM 1925 C HIS A 128 12.998 36.090 -16.347 1.00 0.00 C ATOM 1926 O HIS A 128 11.879 36.579 -16.153 1.00 0.00 O ATOM 1927 CB HIS A 128 14.311 37.391 -18.086 1.00 0.00 C ATOM 1928 CG HIS A 128 15.160 37.356 -19.327 1.00 0.00 C ATOM 1929 ND1 HIS A 128 14.794 37.945 -20.520 1.00 0.00 N ATOM 1930 CD2 HIS A 128 16.381 36.818 -19.540 1.00 0.00 C ATOM 1931 CE1 HIS A 128 15.751 37.768 -21.408 1.00 0.00 C ATOM 1932 NE2 HIS A 128 16.726 37.087 -20.841 1.00 0.00 N ATOM 0 H HIS A 128 12.134 36.653 -19.136 1.00 0.00 H new ATOM 0 HA HIS A 128 14.327 35.246 -17.816 1.00 0.00 H new ATOM 0 HB2 HIS A 128 13.560 38.174 -18.196 1.00 0.00 H new ATOM 0 HB3 HIS A 128 14.938 37.667 -17.239 1.00 0.00 H new ATOM 0 HD2 HIS A 128 16.976 36.276 -18.819 1.00 0.00 H new ATOM 0 HE1 HIS A 128 15.738 38.121 -22.428 1.00 0.00 H new ATOM 0 HE2 HIS A 128 17.595 36.806 -21.295 1.00 0.00 H new ATOM 1941 N HIS A 129 13.749 35.568 -15.359 1.00 0.00 N ATOM 1942 CA HIS A 129 13.301 35.483 -13.954 1.00 0.00 C ATOM 1943 C HIS A 129 14.466 35.833 -13.015 1.00 0.00 C ATOM 1944 O HIS A 129 15.353 35.005 -12.765 1.00 0.00 O ATOM 1945 CB HIS A 129 12.728 34.070 -13.637 1.00 0.00 C ATOM 1946 CG HIS A 129 11.434 33.770 -14.348 1.00 0.00 C ATOM 1947 ND1 HIS A 129 11.331 32.864 -15.381 1.00 0.00 N ATOM 1948 CD2 HIS A 129 10.188 34.280 -14.174 1.00 0.00 C ATOM 1949 CE1 HIS A 129 10.089 32.831 -15.814 1.00 0.00 C ATOM 1950 NE2 HIS A 129 9.375 33.677 -15.097 1.00 0.00 N ATOM 0 H HIS A 129 14.685 35.192 -15.512 1.00 0.00 H new ATOM 0 HA HIS A 129 12.498 36.203 -13.796 1.00 0.00 H new ATOM 0 HB2 HIS A 129 13.467 33.317 -13.912 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.570 33.984 -12.562 1.00 0.00 H new ATOM 0 HD2 HIS A 129 9.893 35.021 -13.446 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.717 32.216 -16.620 1.00 0.00 H new ATOM 0 HE2 HIS A 129 8.377 33.854 -15.211 1.00 0.00 H new ATOM 1959 N HIS A 130 14.463 37.088 -12.526 1.00 0.00 N ATOM 1960 CA HIS A 130 15.499 37.613 -11.612 1.00 0.00 C ATOM 1961 C HIS A 130 15.145 37.278 -10.151 1.00 0.00 C ATOM 1962 O HIS A 130 13.959 37.218 -9.782 1.00 0.00 O ATOM 1963 CB HIS A 130 15.669 39.143 -11.804 1.00 0.00 C ATOM 1964 CG HIS A 130 16.127 39.530 -13.186 1.00 0.00 C ATOM 1965 ND1 HIS A 130 17.455 39.580 -13.557 1.00 0.00 N ATOM 1966 CD2 HIS A 130 15.423 39.890 -14.286 1.00 0.00 C ATOM 1967 CE1 HIS A 130 17.546 39.955 -14.818 1.00 0.00 C ATOM 1968 NE2 HIS A 130 16.327 40.148 -15.285 1.00 0.00 N ATOM 0 H HIS A 130 13.740 37.770 -12.754 1.00 0.00 H new ATOM 0 HA HIS A 130 16.449 37.135 -11.851 1.00 0.00 H new ATOM 0 HB2 HIS A 130 14.719 39.635 -11.594 1.00 0.00 H new ATOM 0 HB3 HIS A 130 16.389 39.515 -11.074 1.00 0.00 H new ATOM 0 HD2 HIS A 130 14.348 39.961 -14.362 1.00 0.00 H new ATOM 0 HE1 HIS A 130 18.463 40.083 -15.374 1.00 0.00 H new ATOM 0 HE2 HIS A 130 16.095 40.441 -16.234 1.00 0.00 H new ATOM 1977 N HIS A 131 16.186 37.049 -9.333 1.00 0.00 N ATOM 1978 CA HIS A 131 16.040 36.652 -7.923 1.00 0.00 C ATOM 1979 C HIS A 131 16.084 37.897 -7.007 1.00 0.00 C ATOM 1980 O HIS A 131 17.189 38.381 -6.691 1.00 0.00 O ATOM 1981 CB HIS A 131 17.133 35.614 -7.557 1.00 0.00 C ATOM 1982 CG HIS A 131 16.988 34.310 -8.294 1.00 0.00 C ATOM 1983 ND1 HIS A 131 17.742 33.975 -9.399 1.00 0.00 N ATOM 1984 CD2 HIS A 131 16.143 33.273 -8.094 1.00 0.00 C ATOM 1985 CE1 HIS A 131 17.367 32.790 -9.843 1.00 0.00 C ATOM 1986 NE2 HIS A 131 16.395 32.342 -9.071 1.00 0.00 N ATOM 1987 OXT HIS A 131 15.008 38.401 -6.620 1.00 0.00 O ATOM 0 H HIS A 131 17.157 37.135 -9.633 1.00 0.00 H new ATOM 0 HA HIS A 131 15.070 36.179 -7.772 1.00 0.00 H new ATOM 0 HB2 HIS A 131 18.114 36.038 -7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 131 17.098 35.423 -6.484 1.00 0.00 H new ATOM 0 HD2 HIS A 131 15.405 33.192 -7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 131 17.785 32.274 -10.695 1.00 0.00 H new ATOM 0 HE2 HIS A 131 15.911 31.451 -9.182 1.00 0.00 H new TER 1996 HIS A 131