USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 Single : A 1 GLY N :NH3+ -118:sc= 0.0829 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0575 K(o=-0.057,f=-1.2) USER MOD Single : A 10 SER OG : rot 47:sc= 0.807 USER MOD Single : A 12 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 9:sc= 0.635 USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= -3.33! (180deg=-4.45!) USER MOD Single : A 52 GLN : amide:sc= -0.387 X(o=-0.39,f=0.065) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.112 USER MOD Single : A 65 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-4.2!) USER MOD Single : A 67 ASN : amide:sc= -0.768 K(o=-0.77,f=-1.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -16:sc= 0.986 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000916 USER MOD Single : A 76 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 78 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.4!) USER MOD Single : A 91 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-1.3) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.217 -10.025 11.390 1.00 0.00 N ATOM 2 CA GLY A 1 -21.082 -10.315 9.974 1.00 0.00 C ATOM 3 C GLY A 1 -21.683 -11.654 9.596 1.00 0.00 C ATOM 4 O GLY A 1 -21.989 -12.472 10.464 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.795 -9.169 11.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.677 -10.827 11.866 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.276 -9.871 11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.566 -9.527 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.026 -10.305 9.703 1.00 0.00 H new ATOM 8 N SER A 2 -21.855 -11.879 8.298 1.00 0.00 N ATOM 9 CA SER A 2 -22.428 -13.127 7.807 1.00 0.00 C ATOM 10 C SER A 2 -21.390 -13.935 7.035 1.00 0.00 C ATOM 11 O SER A 2 -20.581 -13.379 6.292 1.00 0.00 O ATOM 12 CB SER A 2 -23.637 -12.840 6.913 1.00 0.00 C ATOM 13 OG SER A 2 -24.103 -14.025 6.291 1.00 0.00 O ATOM 0 H SER A 2 -21.606 -11.213 7.567 1.00 0.00 H new ATOM 0 HA SER A 2 -22.752 -13.713 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.437 -12.399 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.365 -12.109 6.152 1.00 0.00 H new ATOM 0 HG SER A 2 -24.876 -13.816 5.727 1.00 0.00 H new ATOM 19 N SER A 3 -21.421 -15.252 7.215 1.00 0.00 N ATOM 20 CA SER A 3 -20.481 -16.138 6.539 1.00 0.00 C ATOM 21 C SER A 3 -20.258 -15.695 5.097 1.00 0.00 C ATOM 22 O SER A 3 -21.138 -15.103 4.474 1.00 0.00 O ATOM 23 CB SER A 3 -20.995 -17.579 6.568 1.00 0.00 C ATOM 24 OG SER A 3 -20.270 -18.397 5.666 1.00 0.00 O ATOM 0 H SER A 3 -22.087 -15.729 7.823 1.00 0.00 H new ATOM 0 HA SER A 3 -19.529 -16.088 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.907 -17.979 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.054 -17.596 6.309 1.00 0.00 H new ATOM 0 HG SER A 3 -20.616 -19.313 5.704 1.00 0.00 H new ATOM 30 N GLY A 4 -19.071 -15.986 4.571 1.00 0.00 N ATOM 31 CA GLY A 4 -18.752 -15.610 3.206 1.00 0.00 C ATOM 32 C GLY A 4 -18.893 -14.120 2.967 1.00 0.00 C ATOM 33 O GLY A 4 -19.896 -13.664 2.419 1.00 0.00 O ATOM 0 H GLY A 4 -18.325 -16.475 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.731 -15.917 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.408 -16.148 2.521 1.00 0.00 H new ATOM 37 N SER A 5 -17.885 -13.358 3.381 1.00 0.00 N ATOM 38 CA SER A 5 -17.902 -11.910 3.213 1.00 0.00 C ATOM 39 C SER A 5 -17.128 -11.498 1.965 1.00 0.00 C ATOM 40 O SER A 5 -16.216 -12.199 1.527 1.00 0.00 O ATOM 41 CB SER A 5 -17.307 -11.226 4.445 1.00 0.00 C ATOM 42 OG SER A 5 -15.947 -11.583 4.620 1.00 0.00 O ATOM 0 H SER A 5 -17.046 -13.720 3.835 1.00 0.00 H new ATOM 0 HA SER A 5 -18.939 -11.595 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.392 -10.144 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.877 -11.506 5.331 1.00 0.00 H new ATOM 0 HG SER A 5 -15.590 -11.131 5.413 1.00 0.00 H new ATOM 48 N SER A 6 -17.499 -10.355 1.397 1.00 0.00 N ATOM 49 CA SER A 6 -16.843 -9.850 0.196 1.00 0.00 C ATOM 50 C SER A 6 -15.423 -9.387 0.507 1.00 0.00 C ATOM 51 O SER A 6 -15.220 -8.356 1.148 1.00 0.00 O ATOM 52 CB SER A 6 -17.649 -8.695 -0.403 1.00 0.00 C ATOM 53 OG SER A 6 -18.916 -9.138 -0.856 1.00 0.00 O ATOM 0 H SER A 6 -18.250 -9.761 1.749 1.00 0.00 H new ATOM 0 HA SER A 6 -16.791 -10.662 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.780 -7.913 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.097 -8.254 -1.233 1.00 0.00 H new ATOM 0 HG SER A 6 -19.412 -8.381 -1.233 1.00 0.00 H new ATOM 59 N GLY A 7 -14.442 -10.157 0.047 1.00 0.00 N ATOM 60 CA GLY A 7 -13.053 -9.811 0.286 1.00 0.00 C ATOM 61 C GLY A 7 -12.099 -10.906 -0.150 1.00 0.00 C ATOM 62 O GLY A 7 -11.173 -10.659 -0.921 1.00 0.00 O ATOM 0 H GLY A 7 -14.584 -11.014 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.814 -8.891 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.909 -9.610 1.348 1.00 0.00 H new ATOM 66 N GLN A 8 -12.326 -12.118 0.346 1.00 0.00 N ATOM 67 CA GLN A 8 -11.478 -13.253 0.004 1.00 0.00 C ATOM 68 C GLN A 8 -11.002 -13.162 -1.442 1.00 0.00 C ATOM 69 O GLN A 8 -11.788 -12.883 -2.347 1.00 0.00 O ATOM 70 CB GLN A 8 -12.233 -14.565 0.223 1.00 0.00 C ATOM 71 CG GLN A 8 -11.323 -15.775 0.361 1.00 0.00 C ATOM 72 CD GLN A 8 -10.551 -15.780 1.665 1.00 0.00 C ATOM 73 OE1 GLN A 8 -10.872 -15.036 2.593 1.00 0.00 O ATOM 74 NE2 GLN A 8 -9.526 -16.620 1.744 1.00 0.00 N ATOM 0 H GLN A 8 -13.089 -12.339 0.985 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.605 -13.231 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.845 -14.477 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.914 -14.726 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.921 -16.684 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.621 -15.793 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.295 -17.219 0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.970 -16.667 2.598 1.00 0.00 H new ATOM 83 N ALA A 9 -9.711 -13.398 -1.652 1.00 0.00 N ATOM 84 CA ALA A 9 -9.132 -13.344 -2.988 1.00 0.00 C ATOM 85 C ALA A 9 -7.754 -13.996 -3.015 1.00 0.00 C ATOM 86 O ALA A 9 -7.117 -14.167 -1.976 1.00 0.00 O ATOM 87 CB ALA A 9 -9.046 -11.903 -3.468 1.00 0.00 C ATOM 0 H ALA A 9 -9.046 -13.628 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.782 -13.901 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.612 -11.878 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.045 -11.468 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.419 -11.329 -2.785 1.00 0.00 H new ATOM 93 N SER A 10 -7.299 -14.358 -4.211 1.00 0.00 N ATOM 94 CA SER A 10 -5.998 -14.996 -4.373 1.00 0.00 C ATOM 95 C SER A 10 -5.031 -14.077 -5.113 1.00 0.00 C ATOM 96 O SER A 10 -5.122 -13.912 -6.329 1.00 0.00 O ATOM 97 CB SER A 10 -6.144 -16.317 -5.130 1.00 0.00 C ATOM 98 OG SER A 10 -6.696 -16.108 -6.418 1.00 0.00 O ATOM 0 H SER A 10 -7.812 -14.220 -5.082 1.00 0.00 H new ATOM 0 HA SER A 10 -5.594 -15.197 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.170 -16.797 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.781 -16.996 -4.563 1.00 0.00 H new ATOM 0 HG SER A 10 -6.229 -15.367 -6.858 1.00 0.00 H new ATOM 104 N GLY A 11 -4.104 -13.480 -4.369 1.00 0.00 N ATOM 105 CA GLY A 11 -3.133 -12.585 -4.971 1.00 0.00 C ATOM 106 C GLY A 11 -2.775 -11.424 -4.064 1.00 0.00 C ATOM 107 O GLY A 11 -1.887 -11.538 -3.219 1.00 0.00 O ATOM 0 H GLY A 11 -4.008 -13.600 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.230 -13.144 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.531 -12.200 -5.910 1.00 0.00 H new ATOM 111 N HIS A 12 -3.466 -10.302 -4.241 1.00 0.00 N ATOM 112 CA HIS A 12 -3.216 -9.115 -3.432 1.00 0.00 C ATOM 113 C HIS A 12 -4.323 -8.915 -2.402 1.00 0.00 C ATOM 114 O HIS A 12 -5.501 -8.829 -2.750 1.00 0.00 O ATOM 115 CB HIS A 12 -3.105 -7.878 -4.324 1.00 0.00 C ATOM 116 CG HIS A 12 -3.956 -7.949 -5.554 1.00 0.00 C ATOM 117 ND1 HIS A 12 -5.290 -7.598 -5.567 1.00 0.00 N ATOM 118 CD2 HIS A 12 -3.657 -8.331 -6.818 1.00 0.00 C ATOM 119 CE1 HIS A 12 -5.774 -7.763 -6.785 1.00 0.00 C ATOM 120 NE2 HIS A 12 -4.803 -8.207 -7.563 1.00 0.00 N ATOM 0 H HIS A 12 -4.203 -10.190 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.274 -9.259 -2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.387 -6.997 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.064 -7.745 -4.619 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.695 -8.670 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.791 -7.568 -7.093 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.891 -8.423 -8.556 1.00 0.00 H new ATOM 129 N PHE A 13 -3.938 -8.843 -1.132 1.00 0.00 N ATOM 130 CA PHE A 13 -4.898 -8.656 -0.051 1.00 0.00 C ATOM 131 C PHE A 13 -4.997 -7.184 0.340 1.00 0.00 C ATOM 132 O PHE A 13 -4.273 -6.340 -0.189 1.00 0.00 O ATOM 133 CB PHE A 13 -4.498 -9.492 1.166 1.00 0.00 C ATOM 134 CG PHE A 13 -3.066 -9.301 1.580 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.709 -8.270 2.433 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.078 -10.154 1.116 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.392 -8.092 2.814 1.00 0.00 C ATOM 138 CE2 PHE A 13 -0.760 -9.982 1.494 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.417 -8.950 2.345 1.00 0.00 C ATOM 0 H PHE A 13 -2.967 -8.911 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.874 -8.987 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.147 -9.235 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.666 -10.546 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.468 -7.598 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.341 -10.963 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.126 -7.283 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.001 -10.654 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.612 -8.814 2.643 1.00 0.00 H new ATOM 149 N SER A 14 -5.899 -6.883 1.268 1.00 0.00 N ATOM 150 CA SER A 14 -6.097 -5.514 1.727 1.00 0.00 C ATOM 151 C SER A 14 -5.733 -5.377 3.202 1.00 0.00 C ATOM 152 O SER A 14 -5.728 -6.358 3.946 1.00 0.00 O ATOM 153 CB SER A 14 -7.549 -5.084 1.507 1.00 0.00 C ATOM 154 OG SER A 14 -8.448 -5.988 2.127 1.00 0.00 O ATOM 0 H SER A 14 -6.505 -7.570 1.717 1.00 0.00 H new ATOM 0 HA SER A 14 -5.441 -4.865 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.700 -4.082 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.759 -5.033 0.439 1.00 0.00 H new ATOM 0 HG SER A 14 -9.369 -5.690 1.973 1.00 0.00 H new ATOM 160 N VAL A 15 -5.427 -4.152 3.619 1.00 0.00 N ATOM 161 CA VAL A 15 -5.062 -3.884 5.005 1.00 0.00 C ATOM 162 C VAL A 15 -6.009 -2.870 5.637 1.00 0.00 C ATOM 163 O VAL A 15 -6.128 -1.740 5.164 1.00 0.00 O ATOM 164 CB VAL A 15 -3.618 -3.360 5.114 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.258 -3.084 6.566 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.644 -4.349 4.493 1.00 0.00 C ATOM 0 H VAL A 15 -5.425 -3.329 3.016 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.138 -4.830 5.541 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.548 -2.422 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.234 -2.715 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.937 -2.335 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.344 -4.004 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.629 -3.962 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.714 -5.304 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.890 -4.490 3.441 1.00 0.00 H new ATOM 176 N GLU A 16 -6.680 -3.282 6.708 1.00 0.00 N ATOM 177 CA GLU A 16 -7.617 -2.408 7.404 1.00 0.00 C ATOM 178 C GLU A 16 -7.071 -2.003 8.770 1.00 0.00 C ATOM 179 O GLU A 16 -6.808 -2.852 9.623 1.00 0.00 O ATOM 180 CB GLU A 16 -8.970 -3.103 7.570 1.00 0.00 C ATOM 181 CG GLU A 16 -9.597 -3.535 6.255 1.00 0.00 C ATOM 182 CD GLU A 16 -10.962 -4.170 6.440 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.955 -3.421 6.543 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.036 -5.416 6.482 1.00 0.00 O ATOM 0 H GLU A 16 -6.592 -4.214 7.112 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.750 -1.508 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.844 -3.978 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.654 -2.429 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.689 -2.669 5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.935 -4.244 5.757 1.00 0.00 H new ATOM 191 N LEU A 17 -6.901 -0.701 8.971 1.00 0.00 N ATOM 192 CA LEU A 17 -6.386 -0.181 10.232 1.00 0.00 C ATOM 193 C LEU A 17 -7.199 1.022 10.699 1.00 0.00 C ATOM 194 O LEU A 17 -7.999 1.574 9.944 1.00 0.00 O ATOM 195 CB LEU A 17 -4.915 0.211 10.082 1.00 0.00 C ATOM 196 CG LEU A 17 -3.988 -0.865 9.515 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.631 -0.272 9.170 1.00 0.00 C ATOM 198 CD2 LEU A 17 -3.836 -2.012 10.503 1.00 0.00 C ATOM 0 H LEU A 17 -7.113 0.015 8.276 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.472 -0.967 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.857 1.088 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.538 0.509 11.060 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.433 -1.257 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.985 -1.052 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.756 0.515 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.178 0.147 10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.173 -2.769 10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.413 -1.636 11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.813 -2.454 10.700 1.00 0.00 H new ATOM 210 N VAL A 18 -6.988 1.423 11.949 1.00 0.00 N ATOM 211 CA VAL A 18 -7.699 2.563 12.516 1.00 0.00 C ATOM 212 C VAL A 18 -6.726 3.623 13.020 1.00 0.00 C ATOM 213 O VAL A 18 -5.933 3.370 13.927 1.00 0.00 O ATOM 214 CB VAL A 18 -8.617 2.132 13.675 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.388 3.325 14.218 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.567 1.034 13.222 1.00 0.00 C ATOM 0 H VAL A 18 -6.331 0.975 12.588 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.309 2.985 11.717 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.996 1.735 14.478 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.031 3.001 15.036 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.687 4.076 14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.999 3.755 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.208 0.742 14.054 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.183 1.401 12.401 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.992 0.171 12.886 1.00 0.00 H new ATOM 226 N ARG A 19 -6.792 4.809 12.425 1.00 0.00 N ATOM 227 CA ARG A 19 -5.916 5.908 12.814 1.00 0.00 C ATOM 228 C ARG A 19 -5.782 5.986 14.331 1.00 0.00 C ATOM 229 O ARG A 19 -6.765 6.190 15.042 1.00 0.00 O ATOM 230 CB ARG A 19 -6.453 7.233 12.269 1.00 0.00 C ATOM 231 CG ARG A 19 -5.672 8.448 12.744 1.00 0.00 C ATOM 232 CD ARG A 19 -6.179 9.725 12.094 1.00 0.00 C ATOM 233 NE ARG A 19 -5.218 10.819 12.213 1.00 0.00 N ATOM 234 CZ ARG A 19 -4.150 10.947 11.434 1.00 0.00 C ATOM 235 NH1 ARG A 19 -3.908 10.054 10.483 1.00 0.00 N ATOM 236 NH2 ARG A 19 -3.322 11.969 11.603 1.00 0.00 N ATOM 0 H ARG A 19 -7.442 5.034 11.672 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.930 5.721 12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.434 7.202 11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.496 7.343 12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.753 8.533 13.828 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.615 8.316 12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.386 9.538 11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.121 10.018 12.557 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.376 11.523 12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.543 9.267 10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.087 10.155 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.505 12.658 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.502 12.066 11.004 1.00 0.00 H new ATOM 250 N GLY A 20 -4.557 5.822 14.822 1.00 0.00 N ATOM 251 CA GLY A 20 -4.316 5.876 16.252 1.00 0.00 C ATOM 252 C GLY A 20 -3.986 7.276 16.731 1.00 0.00 C ATOM 253 O GLY A 20 -4.455 8.261 16.162 1.00 0.00 O ATOM 0 H GLY A 20 -3.727 5.653 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.198 5.513 16.780 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.495 5.206 16.505 1.00 0.00 H new ATOM 257 N TYR A 21 -3.177 7.364 17.781 1.00 0.00 N ATOM 258 CA TYR A 21 -2.787 8.653 18.340 1.00 0.00 C ATOM 259 C TYR A 21 -2.221 9.567 17.258 1.00 0.00 C ATOM 260 O TYR A 21 -2.687 10.690 17.071 1.00 0.00 O ATOM 261 CB TYR A 21 -1.755 8.460 19.452 1.00 0.00 C ATOM 262 CG TYR A 21 -1.238 9.757 20.031 1.00 0.00 C ATOM 263 CD1 TYR A 21 -2.056 10.569 20.808 1.00 0.00 C ATOM 264 CD2 TYR A 21 0.067 10.173 19.800 1.00 0.00 C ATOM 265 CE1 TYR A 21 -1.589 11.755 21.338 1.00 0.00 C ATOM 266 CE2 TYR A 21 0.544 11.357 20.328 1.00 0.00 C ATOM 267 CZ TYR A 21 -0.288 12.145 21.096 1.00 0.00 C ATOM 268 OH TYR A 21 0.182 13.327 21.622 1.00 0.00 O ATOM 0 H TYR A 21 -2.778 6.558 18.262 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.677 9.123 18.758 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.201 7.868 20.251 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.915 7.886 19.061 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.075 10.267 21.000 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.720 9.560 19.197 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.239 12.374 21.939 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.562 11.664 20.141 1.00 0.00 H new ATOM 0 HH TYR A 21 1.117 13.453 21.358 1.00 0.00 H new ATOM 278 N ALA A 22 -1.212 9.075 16.546 1.00 0.00 N ATOM 279 CA ALA A 22 -0.582 9.844 15.480 1.00 0.00 C ATOM 280 C ALA A 22 -0.403 8.998 14.224 1.00 0.00 C ATOM 281 O ALA A 22 0.407 8.073 14.198 1.00 0.00 O ATOM 282 CB ALA A 22 0.759 10.392 15.946 1.00 0.00 C ATOM 0 H ALA A 22 -0.813 8.147 16.688 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.237 10.679 15.233 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.218 10.964 15.140 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.607 11.039 16.810 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.413 9.565 16.223 1.00 0.00 H new ATOM 288 N GLY A 23 -1.166 9.322 13.184 1.00 0.00 N ATOM 289 CA GLY A 23 -1.076 8.581 11.940 1.00 0.00 C ATOM 290 C GLY A 23 -1.206 7.085 12.145 1.00 0.00 C ATOM 291 O GLY A 23 -1.917 6.634 13.044 1.00 0.00 O ATOM 0 H GLY A 23 -1.844 10.084 13.181 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.858 8.921 11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.121 8.797 11.460 1.00 0.00 H new ATOM 295 N PHE A 24 -0.520 6.313 11.309 1.00 0.00 N ATOM 296 CA PHE A 24 -0.564 4.858 11.401 1.00 0.00 C ATOM 297 C PHE A 24 0.816 4.291 11.722 1.00 0.00 C ATOM 298 O PHE A 24 0.986 3.080 11.854 1.00 0.00 O ATOM 299 CB PHE A 24 -1.083 4.258 10.093 1.00 0.00 C ATOM 300 CG PHE A 24 -2.538 4.534 9.842 1.00 0.00 C ATOM 301 CD1 PHE A 24 -2.943 5.736 9.286 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.501 3.590 10.163 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.282 5.993 9.055 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.841 3.841 9.934 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.231 5.043 9.378 1.00 0.00 C ATOM 0 H PHE A 24 0.073 6.670 10.560 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.244 4.591 12.210 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.498 4.655 9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.923 3.180 10.109 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.205 6.481 9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.201 2.648 10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.585 6.935 8.623 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.582 3.098 10.190 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.277 5.240 9.196 1.00 0.00 H new ATOM 315 N GLY A 25 1.799 5.178 11.845 1.00 0.00 N ATOM 316 CA GLY A 25 3.152 4.748 12.148 1.00 0.00 C ATOM 317 C GLY A 25 3.755 3.907 11.040 1.00 0.00 C ATOM 318 O GLY A 25 4.688 3.137 11.273 1.00 0.00 O ATOM 0 H GLY A 25 1.683 6.186 11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.779 5.623 12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.149 4.174 13.075 1.00 0.00 H new ATOM 322 N LEU A 26 3.221 4.052 9.832 1.00 0.00 N ATOM 323 CA LEU A 26 3.711 3.298 8.684 1.00 0.00 C ATOM 324 C LEU A 26 4.647 4.150 7.832 1.00 0.00 C ATOM 325 O LEU A 26 4.292 5.252 7.411 1.00 0.00 O ATOM 326 CB LEU A 26 2.539 2.804 7.834 1.00 0.00 C ATOM 327 CG LEU A 26 2.820 1.599 6.937 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.397 0.451 7.751 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.553 1.161 6.218 1.00 0.00 C ATOM 0 H LEU A 26 2.449 4.685 9.623 1.00 0.00 H new ATOM 0 HA LEU A 26 4.269 2.439 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.715 2.551 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.200 3.628 7.206 1.00 0.00 H new ATOM 0 HG LEU A 26 3.555 1.892 6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.591 -0.398 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.329 0.769 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.685 0.159 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.773 0.302 5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.795 0.886 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.182 1.981 5.603 1.00 0.00 H new ATOM 341 N THR A 27 5.845 3.633 7.580 1.00 0.00 N ATOM 342 CA THR A 27 6.832 4.345 6.779 1.00 0.00 C ATOM 343 C THR A 27 7.213 3.545 5.537 1.00 0.00 C ATOM 344 O THR A 27 7.278 2.316 5.574 1.00 0.00 O ATOM 345 CB THR A 27 8.106 4.646 7.592 1.00 0.00 C ATOM 346 OG1 THR A 27 7.813 5.588 8.629 1.00 0.00 O ATOM 347 CG2 THR A 27 9.203 5.197 6.694 1.00 0.00 C ATOM 0 H THR A 27 6.155 2.723 7.920 1.00 0.00 H new ATOM 0 HA THR A 27 6.373 5.286 6.476 1.00 0.00 H new ATOM 0 HB THR A 27 8.456 3.714 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.627 5.773 9.142 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.092 5.402 7.290 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.444 4.465 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.860 6.119 6.225 1.00 0.00 H new ATOM 355 N LEU A 28 7.464 4.250 4.440 1.00 0.00 N ATOM 356 CA LEU A 28 7.839 3.606 3.186 1.00 0.00 C ATOM 357 C LEU A 28 9.276 3.948 2.807 1.00 0.00 C ATOM 358 O LEU A 28 9.636 5.119 2.691 1.00 0.00 O ATOM 359 CB LEU A 28 6.888 4.032 2.066 1.00 0.00 C ATOM 360 CG LEU A 28 5.604 3.214 1.928 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.573 3.974 1.109 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.898 1.862 1.296 1.00 0.00 C ATOM 0 H LEU A 28 7.415 5.268 4.393 1.00 0.00 H new ATOM 0 HA LEU A 28 7.766 2.527 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.615 5.075 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.428 3.985 1.120 1.00 0.00 H new ATOM 0 HG LEU A 28 5.195 3.045 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.666 3.376 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.340 4.917 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.973 4.174 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.972 1.294 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.331 2.009 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.601 1.313 1.922 1.00 0.00 H new ATOM 374 N GLY A 29 10.093 2.917 2.612 1.00 0.00 N ATOM 375 CA GLY A 29 11.481 3.130 2.245 1.00 0.00 C ATOM 376 C GLY A 29 11.762 2.764 0.801 1.00 0.00 C ATOM 377 O GLY A 29 11.399 1.681 0.346 1.00 0.00 O ATOM 0 H GLY A 29 9.819 1.939 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.740 4.176 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.121 2.537 2.898 1.00 0.00 H new ATOM 381 N GLY A 30 12.410 3.672 0.078 1.00 0.00 N ATOM 382 CA GLY A 30 12.727 3.422 -1.316 1.00 0.00 C ATOM 383 C GLY A 30 11.830 4.195 -2.263 1.00 0.00 C ATOM 384 O GLY A 30 11.635 5.398 -2.100 1.00 0.00 O ATOM 0 H GLY A 30 12.721 4.576 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.766 3.692 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.633 2.356 -1.521 1.00 0.00 H new ATOM 388 N GLY A 31 11.283 3.501 -3.257 1.00 0.00 N ATOM 389 CA GLY A 31 10.410 4.147 -4.219 1.00 0.00 C ATOM 390 C GLY A 31 11.180 4.859 -5.314 1.00 0.00 C ATOM 391 O GLY A 31 12.217 4.375 -5.768 1.00 0.00 O ATOM 0 H GLY A 31 11.429 2.504 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.753 3.401 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.772 4.864 -3.702 1.00 0.00 H new ATOM 395 N ARG A 32 10.671 6.010 -5.740 1.00 0.00 N ATOM 396 CA ARG A 32 11.316 6.788 -6.791 1.00 0.00 C ATOM 397 C ARG A 32 12.432 7.657 -6.217 1.00 0.00 C ATOM 398 O ARG A 32 12.171 8.680 -5.583 1.00 0.00 O ATOM 399 CB ARG A 32 10.289 7.667 -7.509 1.00 0.00 C ATOM 400 CG ARG A 32 10.634 7.941 -8.963 1.00 0.00 C ATOM 401 CD ARG A 32 10.022 9.248 -9.443 1.00 0.00 C ATOM 402 NE ARG A 32 10.497 10.391 -8.669 1.00 0.00 N ATOM 403 CZ ARG A 32 10.331 11.654 -9.045 1.00 0.00 C ATOM 404 NH1 ARG A 32 9.705 11.934 -10.180 1.00 0.00 N ATOM 405 NH2 ARG A 32 10.792 12.640 -8.286 1.00 0.00 N ATOM 0 H ARG A 32 9.814 6.425 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 32 11.752 6.092 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.313 7.184 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.202 8.616 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.717 7.980 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.276 7.120 -9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.264 9.397 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.936 9.188 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 32 10.983 10.210 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.350 11.179 -10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.579 12.905 -10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.275 12.428 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.664 13.609 -8.576 1.00 0.00 H new ATOM 419 N ASP A 33 13.673 7.242 -6.443 1.00 0.00 N ATOM 420 CA ASP A 33 14.828 7.982 -5.949 1.00 0.00 C ATOM 421 C ASP A 33 15.768 8.351 -7.093 1.00 0.00 C ATOM 422 O ASP A 33 15.732 7.739 -8.161 1.00 0.00 O ATOM 423 CB ASP A 33 15.579 7.158 -4.901 1.00 0.00 C ATOM 424 CG ASP A 33 16.303 8.027 -3.891 1.00 0.00 C ATOM 425 OD1 ASP A 33 15.649 8.899 -3.281 1.00 0.00 O ATOM 426 OD2 ASP A 33 17.524 7.835 -3.711 1.00 0.00 O ATOM 0 H ASP A 33 13.905 6.397 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 33 14.468 8.902 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.875 6.510 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.299 6.510 -5.400 1.00 0.00 H new ATOM 431 N VAL A 34 16.608 9.355 -6.862 1.00 0.00 N ATOM 432 CA VAL A 34 17.557 9.805 -7.873 1.00 0.00 C ATOM 433 C VAL A 34 18.611 8.740 -8.151 1.00 0.00 C ATOM 434 O VAL A 34 19.196 8.698 -9.232 1.00 0.00 O ATOM 435 CB VAL A 34 18.259 11.107 -7.444 1.00 0.00 C ATOM 436 CG1 VAL A 34 19.377 10.810 -6.456 1.00 0.00 C ATOM 437 CG2 VAL A 34 18.793 11.850 -8.659 1.00 0.00 C ATOM 0 H VAL A 34 16.650 9.872 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 34 16.985 9.992 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 34 17.529 11.747 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 34 19.862 11.742 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 34 18.962 10.324 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 34 20.109 10.151 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.286 12.767 -8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.509 11.219 -9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.967 12.097 -9.326 1.00 0.00 H new ATOM 447 N ALA A 35 18.848 7.879 -7.166 1.00 0.00 N ATOM 448 CA ALA A 35 19.830 6.811 -7.305 1.00 0.00 C ATOM 449 C ALA A 35 19.219 5.587 -7.979 1.00 0.00 C ATOM 450 O ALA A 35 19.809 4.508 -7.983 1.00 0.00 O ATOM 451 CB ALA A 35 20.398 6.437 -5.944 1.00 0.00 C ATOM 0 H ALA A 35 18.373 7.901 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 35 20.639 7.175 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 35 21.130 5.638 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.880 7.308 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.592 6.097 -5.294 1.00 0.00 H new ATOM 457 N GLY A 36 18.030 5.763 -8.550 1.00 0.00 N ATOM 458 CA GLY A 36 17.359 4.664 -9.219 1.00 0.00 C ATOM 459 C GLY A 36 15.930 4.485 -8.747 1.00 0.00 C ATOM 460 O GLY A 36 15.576 4.903 -7.644 1.00 0.00 O ATOM 0 H GLY A 36 17.521 6.647 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.364 4.840 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.914 3.743 -9.044 1.00 0.00 H new ATOM 464 N ASP A 37 15.106 3.863 -9.583 1.00 0.00 N ATOM 465 CA ASP A 37 13.706 3.629 -9.246 1.00 0.00 C ATOM 466 C ASP A 37 13.537 2.299 -8.518 1.00 0.00 C ATOM 467 O ASP A 37 13.603 1.232 -9.129 1.00 0.00 O ATOM 468 CB ASP A 37 12.845 3.647 -10.509 1.00 0.00 C ATOM 469 CG ASP A 37 13.566 3.064 -11.709 1.00 0.00 C ATOM 470 OD1 ASP A 37 14.276 2.051 -11.540 1.00 0.00 O ATOM 471 OD2 ASP A 37 13.421 3.622 -12.817 1.00 0.00 O ATOM 0 H ASP A 37 15.383 3.511 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 37 13.379 4.430 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.930 3.083 -10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.549 4.673 -10.729 1.00 0.00 H new ATOM 476 N THR A 38 13.321 2.370 -7.208 1.00 0.00 N ATOM 477 CA THR A 38 13.145 1.172 -6.397 1.00 0.00 C ATOM 478 C THR A 38 11.674 0.942 -6.068 1.00 0.00 C ATOM 479 O THR A 38 10.894 1.882 -5.909 1.00 0.00 O ATOM 480 CB THR A 38 13.945 1.261 -5.084 1.00 0.00 C ATOM 481 OG1 THR A 38 13.765 2.549 -4.486 1.00 0.00 O ATOM 482 CG2 THR A 38 15.425 1.015 -5.335 1.00 0.00 C ATOM 0 H THR A 38 13.264 3.245 -6.686 1.00 0.00 H new ATOM 0 HA THR A 38 13.518 0.334 -6.985 1.00 0.00 H new ATOM 0 HB THR A 38 13.575 0.492 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.067 3.039 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.970 1.083 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.561 0.022 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.806 1.764 -6.029 1.00 0.00 H new ATOM 490 N PRO A 39 11.284 -0.337 -5.962 1.00 0.00 N ATOM 491 CA PRO A 39 9.904 -0.720 -5.649 1.00 0.00 C ATOM 492 C PRO A 39 9.519 -0.381 -4.213 1.00 0.00 C ATOM 493 O PRO A 39 10.112 -0.895 -3.263 1.00 0.00 O ATOM 494 CB PRO A 39 9.900 -2.236 -5.861 1.00 0.00 C ATOM 495 CG PRO A 39 11.315 -2.651 -5.650 1.00 0.00 C ATOM 496 CD PRO A 39 12.159 -1.507 -6.139 1.00 0.00 C ATOM 0 HA PRO A 39 9.183 -0.187 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.232 -2.733 -5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.557 -2.495 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.509 -2.857 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.540 -3.565 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.079 -1.411 -5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.448 -1.638 -7.182 1.00 0.00 H new ATOM 504 N LEU A 40 8.524 0.486 -4.061 1.00 0.00 N ATOM 505 CA LEU A 40 8.060 0.893 -2.739 1.00 0.00 C ATOM 506 C LEU A 40 7.694 -0.322 -1.892 1.00 0.00 C ATOM 507 O LEU A 40 7.108 -1.284 -2.389 1.00 0.00 O ATOM 508 CB LEU A 40 6.852 1.823 -2.865 1.00 0.00 C ATOM 509 CG LEU A 40 7.166 3.310 -3.041 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.945 4.055 -3.557 1.00 0.00 C ATOM 511 CD2 LEU A 40 7.645 3.912 -1.728 1.00 0.00 C ATOM 0 H LEU A 40 8.023 0.921 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 40 8.872 1.426 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.253 1.495 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.234 1.705 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 40 7.965 3.409 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.187 5.111 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.646 3.640 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.126 3.948 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.864 4.970 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.868 3.801 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.547 3.396 -1.399 1.00 0.00 H new ATOM 523 N ALA A 41 8.040 -0.270 -0.611 1.00 0.00 N ATOM 524 CA ALA A 41 7.745 -1.364 0.306 1.00 0.00 C ATOM 525 C ALA A 41 7.903 -0.922 1.757 1.00 0.00 C ATOM 526 O ALA A 41 8.795 -0.139 2.084 1.00 0.00 O ATOM 527 CB ALA A 41 8.644 -2.555 0.014 1.00 0.00 C ATOM 0 H ALA A 41 8.525 0.519 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 41 6.707 -1.661 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.412 -3.364 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.478 -2.894 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.687 -2.262 0.134 1.00 0.00 H new ATOM 533 N VAL A 42 7.032 -1.429 2.624 1.00 0.00 N ATOM 534 CA VAL A 42 7.076 -1.087 4.040 1.00 0.00 C ATOM 535 C VAL A 42 8.504 -1.130 4.572 1.00 0.00 C ATOM 536 O VAL A 42 9.165 -2.167 4.521 1.00 0.00 O ATOM 537 CB VAL A 42 6.200 -2.041 4.875 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.466 -1.847 6.360 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.728 -1.828 4.556 1.00 0.00 C ATOM 0 H VAL A 42 6.287 -2.078 2.370 1.00 0.00 H new ATOM 0 HA VAL A 42 6.687 -0.073 4.133 1.00 0.00 H new ATOM 0 HB VAL A 42 6.460 -3.067 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.839 -2.529 6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.515 -2.054 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.235 -0.819 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.124 -2.510 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.451 -0.799 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.553 -2.022 3.498 1.00 0.00 H new ATOM 549 N ARG A 43 8.973 0.004 5.083 1.00 0.00 N ATOM 550 CA ARG A 43 10.324 0.096 5.624 1.00 0.00 C ATOM 551 C ARG A 43 10.327 -0.169 7.126 1.00 0.00 C ATOM 552 O ARG A 43 10.847 -1.184 7.587 1.00 0.00 O ATOM 553 CB ARG A 43 10.917 1.477 5.337 1.00 0.00 C ATOM 554 CG ARG A 43 12.304 1.678 5.926 1.00 0.00 C ATOM 555 CD ARG A 43 13.091 0.377 5.956 1.00 0.00 C ATOM 556 NE ARG A 43 14.522 0.606 6.133 1.00 0.00 N ATOM 557 CZ ARG A 43 15.063 1.026 7.271 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.296 1.261 8.327 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.374 1.212 7.355 1.00 0.00 N ATOM 0 H ARG A 43 8.438 0.871 5.134 1.00 0.00 H new ATOM 0 HA ARG A 43 10.936 -0.663 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.964 1.626 4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.248 2.240 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.846 2.419 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.217 2.075 6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.722 -0.251 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.924 -0.169 5.028 1.00 0.00 H new ATOM 0 HE ARG A 43 15.140 0.434 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.288 1.119 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.714 1.583 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.968 1.032 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.788 1.535 8.229 1.00 0.00 H new ATOM 573 N GLY A 44 9.743 0.753 7.886 1.00 0.00 N ATOM 574 CA GLY A 44 9.690 0.601 9.328 1.00 0.00 C ATOM 575 C GLY A 44 8.269 0.558 9.855 1.00 0.00 C ATOM 576 O GLY A 44 7.345 1.059 9.212 1.00 0.00 O ATOM 0 H GLY A 44 9.306 1.602 7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.208 -0.315 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.223 1.428 9.797 1.00 0.00 H new ATOM 580 N LEU A 45 8.092 -0.042 11.027 1.00 0.00 N ATOM 581 CA LEU A 45 6.773 -0.150 11.640 1.00 0.00 C ATOM 582 C LEU A 45 6.775 0.443 13.045 1.00 0.00 C ATOM 583 O LEU A 45 7.260 -0.178 13.992 1.00 0.00 O ATOM 584 CB LEU A 45 6.331 -1.614 11.693 1.00 0.00 C ATOM 585 CG LEU A 45 5.785 -2.197 10.389 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.900 -3.714 10.393 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.339 -1.771 10.179 1.00 0.00 C ATOM 0 H LEU A 45 8.846 -0.461 11.572 1.00 0.00 H new ATOM 0 HA LEU A 45 6.069 0.414 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.181 -2.218 12.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.564 -1.714 12.462 1.00 0.00 H new ATOM 0 HG LEU A 45 6.381 -1.810 9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.507 -4.111 9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.947 -3.999 10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.329 -4.120 11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.967 -2.195 9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.730 -2.129 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.283 -0.683 10.131 1.00 0.00 H new ATOM 599 N LEU A 46 6.228 1.647 13.174 1.00 0.00 N ATOM 600 CA LEU A 46 6.165 2.324 14.465 1.00 0.00 C ATOM 601 C LEU A 46 5.627 1.390 15.544 1.00 0.00 C ATOM 602 O LEU A 46 4.492 0.920 15.465 1.00 0.00 O ATOM 603 CB LEU A 46 5.282 3.569 14.367 1.00 0.00 C ATOM 604 CG LEU A 46 5.586 4.688 15.363 1.00 0.00 C ATOM 605 CD1 LEU A 46 6.618 5.647 14.790 1.00 0.00 C ATOM 606 CD2 LEU A 46 4.312 5.433 15.735 1.00 0.00 C ATOM 0 H LEU A 46 5.822 2.174 12.401 1.00 0.00 H new ATOM 0 HA LEU A 46 7.176 2.623 14.740 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.370 3.974 13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.244 3.265 14.499 1.00 0.00 H new ATOM 0 HG LEU A 46 5.998 4.240 16.267 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.822 6.437 15.513 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.539 5.105 14.576 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.234 6.088 13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.548 6.226 16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.870 5.868 14.839 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.604 4.739 16.188 1.00 0.00 H new ATOM 618 N LYS A 47 6.450 1.125 16.553 1.00 0.00 N ATOM 619 CA LYS A 47 6.058 0.250 17.651 1.00 0.00 C ATOM 620 C LYS A 47 4.771 0.742 18.306 1.00 0.00 C ATOM 621 O LYS A 47 4.435 1.923 18.226 1.00 0.00 O ATOM 622 CB LYS A 47 7.176 0.172 18.693 1.00 0.00 C ATOM 623 CG LYS A 47 6.753 -0.496 19.990 1.00 0.00 C ATOM 624 CD LYS A 47 6.523 -1.986 19.801 1.00 0.00 C ATOM 625 CE LYS A 47 5.731 -2.579 20.956 1.00 0.00 C ATOM 626 NZ LYS A 47 4.264 -2.534 20.703 1.00 0.00 N ATOM 0 H LYS A 47 7.394 1.504 16.633 1.00 0.00 H new ATOM 0 HA LYS A 47 5.880 -0.745 17.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.018 -0.376 18.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.529 1.180 18.911 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.520 -0.339 20.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.839 -0.030 20.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.989 -2.157 18.866 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.483 -2.496 19.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.040 -3.612 21.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.959 -2.032 21.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.804 -3.332 21.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.876 -1.640 21.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.086 -2.598 19.680 1.00 0.00 H new ATOM 640 N ASP A 48 4.057 -0.171 18.955 1.00 0.00 N ATOM 641 CA ASP A 48 2.808 0.171 19.627 1.00 0.00 C ATOM 642 C ASP A 48 1.846 0.862 18.665 1.00 0.00 C ATOM 643 O ASP A 48 1.022 1.678 19.076 1.00 0.00 O ATOM 644 CB ASP A 48 3.082 1.075 20.830 1.00 0.00 C ATOM 645 CG ASP A 48 3.376 0.286 22.091 1.00 0.00 C ATOM 646 OD1 ASP A 48 2.600 -0.641 22.405 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.381 0.596 22.765 1.00 0.00 O ATOM 0 H ASP A 48 4.321 -1.153 19.030 1.00 0.00 H new ATOM 0 HA ASP A 48 2.346 -0.753 19.975 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.927 1.726 20.607 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.220 1.719 21.001 1.00 0.00 H new ATOM 652 N GLY A 49 1.957 0.528 17.383 1.00 0.00 N ATOM 653 CA GLY A 49 1.092 1.126 16.383 1.00 0.00 C ATOM 654 C GLY A 49 -0.001 0.182 15.922 1.00 0.00 C ATOM 655 O GLY A 49 0.050 -1.025 16.162 1.00 0.00 O ATOM 0 H GLY A 49 2.631 -0.146 17.019 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.639 2.029 16.792 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.691 1.431 15.525 1.00 0.00 H new ATOM 659 N PRO A 50 -1.018 0.733 15.245 1.00 0.00 N ATOM 660 CA PRO A 50 -2.148 -0.050 14.736 1.00 0.00 C ATOM 661 C PRO A 50 -1.747 -0.964 13.583 1.00 0.00 C ATOM 662 O PRO A 50 -2.421 -1.953 13.299 1.00 0.00 O ATOM 663 CB PRO A 50 -3.133 1.018 14.255 1.00 0.00 C ATOM 664 CG PRO A 50 -2.284 2.202 13.943 1.00 0.00 C ATOM 665 CD PRO A 50 -1.145 2.165 14.923 1.00 0.00 C ATOM 0 HA PRO A 50 -2.558 -0.715 15.496 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.683 0.682 13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.871 1.251 15.023 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.918 2.160 12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.853 3.127 14.041 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.228 2.562 14.488 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.360 2.759 15.811 1.00 0.00 H new ATOM 673 N ALA A 51 -0.645 -0.625 12.922 1.00 0.00 N ATOM 674 CA ALA A 51 -0.153 -1.417 11.801 1.00 0.00 C ATOM 675 C ALA A 51 0.705 -2.581 12.285 1.00 0.00 C ATOM 676 O ALA A 51 0.524 -3.718 11.852 1.00 0.00 O ATOM 677 CB ALA A 51 0.637 -0.539 10.842 1.00 0.00 C ATOM 0 H ALA A 51 -0.076 0.192 13.143 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.013 -1.830 11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.999 -1.143 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.006 0.255 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.485 -0.099 11.366 1.00 0.00 H new ATOM 683 N GLN A 52 1.639 -2.287 13.184 1.00 0.00 N ATOM 684 CA GLN A 52 2.525 -3.311 13.726 1.00 0.00 C ATOM 685 C GLN A 52 1.754 -4.290 14.604 1.00 0.00 C ATOM 686 O GLN A 52 2.034 -5.489 14.607 1.00 0.00 O ATOM 687 CB GLN A 52 3.653 -2.664 14.531 1.00 0.00 C ATOM 688 CG GLN A 52 4.632 -3.666 15.121 1.00 0.00 C ATOM 689 CD GLN A 52 5.375 -4.451 14.058 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.868 -5.444 13.536 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.584 -4.009 13.733 1.00 0.00 N ATOM 0 H GLN A 52 1.802 -1.350 13.552 1.00 0.00 H new ATOM 0 HA GLN A 52 2.955 -3.863 12.890 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.197 -1.973 13.887 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.220 -2.074 15.338 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.352 -3.139 15.748 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.092 -4.358 15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.965 -3.181 14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.132 -4.497 13.025 1.00 0.00 H new ATOM 700 N ARG A 53 0.782 -3.771 15.348 1.00 0.00 N ATOM 701 CA ARG A 53 -0.029 -4.600 16.232 1.00 0.00 C ATOM 702 C ARG A 53 -0.911 -5.551 15.428 1.00 0.00 C ATOM 703 O ARG A 53 -1.247 -6.642 15.890 1.00 0.00 O ATOM 704 CB ARG A 53 -0.897 -3.722 17.135 1.00 0.00 C ATOM 705 CG ARG A 53 -0.148 -3.144 18.324 1.00 0.00 C ATOM 706 CD ARG A 53 -0.832 -1.895 18.859 1.00 0.00 C ATOM 707 NE ARG A 53 -0.599 -1.714 20.289 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.370 -0.966 21.070 1.00 0.00 C ATOM 709 NH1 ARG A 53 -2.419 -0.333 20.562 1.00 0.00 N ATOM 710 NH2 ARG A 53 -1.094 -0.851 22.363 1.00 0.00 N ATOM 0 H ARG A 53 0.537 -2.781 15.356 1.00 0.00 H new ATOM 0 HA ARG A 53 0.644 -5.193 16.852 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.310 -2.904 16.544 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.740 -4.310 17.498 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.084 -3.892 19.114 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.874 -2.903 18.030 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.466 -1.022 18.319 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.904 -1.960 18.672 1.00 0.00 H new ATOM 0 HE ARG A 53 0.199 -2.188 20.711 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.635 -0.420 19.569 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.009 0.241 21.164 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.289 -1.337 22.758 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.687 -0.276 22.962 1.00 0.00 H new ATOM 724 N CYS A 54 -1.282 -5.129 14.224 1.00 0.00 N ATOM 725 CA CYS A 54 -2.127 -5.942 13.356 1.00 0.00 C ATOM 726 C CYS A 54 -1.414 -7.230 12.955 1.00 0.00 C ATOM 727 O CYS A 54 -2.042 -8.277 12.801 1.00 0.00 O ATOM 728 CB CYS A 54 -2.520 -5.152 12.107 1.00 0.00 C ATOM 729 SG CYS A 54 -4.035 -5.736 11.311 1.00 0.00 S ATOM 0 H CYS A 54 -1.011 -4.229 13.827 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.029 -6.204 13.909 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.645 -4.104 12.378 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.703 -5.200 11.388 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.286 -5.005 10.266 1.00 0.00 H new ATOM 735 N GLY A 55 -0.098 -7.144 12.786 1.00 0.00 N ATOM 736 CA GLY A 55 0.678 -8.309 12.403 1.00 0.00 C ATOM 737 C GLY A 55 0.514 -8.658 10.937 1.00 0.00 C ATOM 738 O GLY A 55 1.041 -9.667 10.470 1.00 0.00 O ATOM 0 H GLY A 55 0.444 -6.289 12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.732 -8.125 12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.374 -9.160 13.012 1.00 0.00 H new ATOM 742 N ARG A 56 -0.222 -7.823 10.210 1.00 0.00 N ATOM 743 CA ARG A 56 -0.456 -8.051 8.790 1.00 0.00 C ATOM 744 C ARG A 56 0.547 -7.275 7.942 1.00 0.00 C ATOM 745 O ARG A 56 0.776 -7.602 6.776 1.00 0.00 O ATOM 746 CB ARG A 56 -1.882 -7.641 8.415 1.00 0.00 C ATOM 747 CG ARG A 56 -2.955 -8.428 9.149 1.00 0.00 C ATOM 748 CD ARG A 56 -4.332 -8.184 8.552 1.00 0.00 C ATOM 749 NE ARG A 56 -4.640 -9.130 7.483 1.00 0.00 N ATOM 750 CZ ARG A 56 -5.086 -10.363 7.698 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.274 -10.796 8.936 1.00 0.00 N ATOM 752 NH2 ARG A 56 -5.344 -11.164 6.673 1.00 0.00 N ATOM 0 H ARG A 56 -0.666 -6.983 10.581 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.326 -9.115 8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.013 -6.580 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.018 -7.771 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.722 -9.492 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.959 -8.146 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.086 -8.264 9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.383 -7.167 8.162 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.505 -8.828 6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.076 -10.182 9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.616 -11.743 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.200 -10.834 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.686 -12.110 6.839 1.00 0.00 H new ATOM 766 N LEU A 57 1.142 -6.245 8.533 1.00 0.00 N ATOM 767 CA LEU A 57 2.121 -5.421 7.832 1.00 0.00 C ATOM 768 C LEU A 57 3.524 -5.655 8.383 1.00 0.00 C ATOM 769 O LEU A 57 3.800 -5.363 9.546 1.00 0.00 O ATOM 770 CB LEU A 57 1.753 -3.941 7.955 1.00 0.00 C ATOM 771 CG LEU A 57 0.732 -3.418 6.944 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.147 -2.095 7.412 1.00 0.00 C ATOM 773 CD2 LEU A 57 1.372 -3.263 5.571 1.00 0.00 C ATOM 0 H LEU A 57 0.964 -5.960 9.496 1.00 0.00 H new ATOM 0 HA LEU A 57 2.112 -5.705 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.364 -3.766 8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.665 -3.351 7.859 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.078 -4.143 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.577 -1.738 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.348 -2.236 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.946 -1.361 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.631 -2.890 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.201 -2.558 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.743 -4.230 5.231 1.00 0.00 H new ATOM 785 N GLU A 58 4.406 -6.181 7.539 1.00 0.00 N ATOM 786 CA GLU A 58 5.781 -6.452 7.943 1.00 0.00 C ATOM 787 C GLU A 58 6.766 -5.681 7.069 1.00 0.00 C ATOM 788 O GLU A 58 6.375 -5.019 6.107 1.00 0.00 O ATOM 789 CB GLU A 58 6.074 -7.952 7.859 1.00 0.00 C ATOM 790 CG GLU A 58 5.133 -8.803 8.695 1.00 0.00 C ATOM 791 CD GLU A 58 5.096 -10.249 8.241 1.00 0.00 C ATOM 792 OE1 GLU A 58 4.808 -10.489 7.049 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.353 -11.141 9.076 1.00 0.00 O ATOM 0 H GLU A 58 4.193 -6.428 6.572 1.00 0.00 H new ATOM 0 HA GLU A 58 5.902 -6.122 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.009 -8.269 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.099 -8.132 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.443 -8.762 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.128 -8.384 8.644 1.00 0.00 H new ATOM 800 N VAL A 59 8.047 -5.770 7.412 1.00 0.00 N ATOM 801 CA VAL A 59 9.090 -5.082 6.660 1.00 0.00 C ATOM 802 C VAL A 59 9.487 -5.874 5.420 1.00 0.00 C ATOM 803 O VAL A 59 9.938 -7.015 5.517 1.00 0.00 O ATOM 804 CB VAL A 59 10.341 -4.843 7.526 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.373 -4.030 6.760 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.964 -4.152 8.828 1.00 0.00 C ATOM 0 H VAL A 59 8.388 -6.312 8.206 1.00 0.00 H new ATOM 0 HA VAL A 59 8.679 -4.120 6.356 1.00 0.00 H new ATOM 0 HB VAL A 59 10.783 -5.809 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.250 -3.871 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.665 -4.569 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.945 -3.066 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.860 -3.991 9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.497 -3.192 8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.264 -4.777 9.382 1.00 0.00 H new ATOM 816 N GLY A 60 9.316 -5.261 4.252 1.00 0.00 N ATOM 817 CA GLY A 60 9.661 -5.924 3.009 1.00 0.00 C ATOM 818 C GLY A 60 8.443 -6.251 2.168 1.00 0.00 C ATOM 819 O GLY A 60 8.550 -6.928 1.145 1.00 0.00 O ATOM 0 H GLY A 60 8.945 -4.317 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.334 -5.286 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.204 -6.843 3.230 1.00 0.00 H new ATOM 823 N ASP A 61 7.282 -5.771 2.599 1.00 0.00 N ATOM 824 CA ASP A 61 6.038 -6.016 1.880 1.00 0.00 C ATOM 825 C ASP A 61 5.902 -5.070 0.691 1.00 0.00 C ATOM 826 O ASP A 61 6.068 -3.857 0.827 1.00 0.00 O ATOM 827 CB ASP A 61 4.840 -5.853 2.817 1.00 0.00 C ATOM 828 CG ASP A 61 4.611 -7.077 3.682 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.594 -7.592 4.254 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.448 -7.519 3.787 1.00 0.00 O ATOM 0 H ASP A 61 7.177 -5.209 3.444 1.00 0.00 H new ATOM 0 HA ASP A 61 6.060 -7.040 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.998 -4.984 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.945 -5.656 2.227 1.00 0.00 H new ATOM 835 N LEU A 62 5.599 -5.632 -0.474 1.00 0.00 N ATOM 836 CA LEU A 62 5.442 -4.838 -1.688 1.00 0.00 C ATOM 837 C LEU A 62 4.015 -4.315 -1.815 1.00 0.00 C ATOM 838 O LEU A 62 3.051 -5.066 -1.664 1.00 0.00 O ATOM 839 CB LEU A 62 5.802 -5.674 -2.918 1.00 0.00 C ATOM 840 CG LEU A 62 7.056 -6.540 -2.796 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.081 -7.599 -3.888 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.308 -5.678 -2.859 1.00 0.00 C ATOM 0 H LEU A 62 5.457 -6.634 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 62 6.118 -3.985 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.958 -6.323 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.931 -5.001 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 62 7.034 -7.043 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.981 -8.206 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.201 -8.236 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.079 -7.115 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.191 -6.311 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.336 -5.147 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.295 -4.957 -2.041 1.00 0.00 H new ATOM 854 N VAL A 63 3.886 -3.022 -2.096 1.00 0.00 N ATOM 855 CA VAL A 63 2.577 -2.398 -2.247 1.00 0.00 C ATOM 856 C VAL A 63 2.118 -2.429 -3.700 1.00 0.00 C ATOM 857 O VAL A 63 2.830 -1.975 -4.598 1.00 0.00 O ATOM 858 CB VAL A 63 2.591 -0.938 -1.755 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.207 -0.522 -1.280 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.620 -0.758 -0.650 1.00 0.00 C ATOM 0 H VAL A 63 4.673 -2.386 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 63 1.880 -2.972 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 63 2.872 -0.294 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.236 0.512 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.498 -0.611 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.894 -1.168 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.616 0.279 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.373 -1.411 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.610 -1.013 -1.029 1.00 0.00 H new ATOM 870 N LEU A 64 0.925 -2.967 -3.927 1.00 0.00 N ATOM 871 CA LEU A 64 0.369 -3.057 -5.272 1.00 0.00 C ATOM 872 C LEU A 64 -0.594 -1.905 -5.542 1.00 0.00 C ATOM 873 O LEU A 64 -0.583 -1.313 -6.622 1.00 0.00 O ATOM 874 CB LEU A 64 -0.352 -4.393 -5.459 1.00 0.00 C ATOM 875 CG LEU A 64 0.542 -5.629 -5.571 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.928 -5.880 -7.020 1.00 0.00 C ATOM 877 CD2 LEU A 64 1.785 -5.467 -4.707 1.00 0.00 C ATOM 0 H LEU A 64 0.324 -3.348 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 64 1.192 -2.992 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.032 -4.536 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.964 -4.330 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.018 -6.492 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.564 -6.763 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.028 -6.040 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.469 -5.017 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.410 -6.355 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.346 -4.593 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.490 -5.337 -3.666 1.00 0.00 H new ATOM 889 N HIS A 65 -1.424 -1.590 -4.553 1.00 0.00 N ATOM 890 CA HIS A 65 -2.391 -0.506 -4.683 1.00 0.00 C ATOM 891 C HIS A 65 -2.658 0.149 -3.331 1.00 0.00 C ATOM 892 O HIS A 65 -2.080 -0.243 -2.316 1.00 0.00 O ATOM 893 CB HIS A 65 -3.700 -1.031 -5.275 1.00 0.00 C ATOM 894 CG HIS A 65 -3.522 -1.753 -6.575 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.909 -1.186 -7.673 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.879 -3.003 -6.949 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.899 -2.056 -8.666 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.481 -3.168 -8.253 1.00 0.00 N ATOM 0 H HIS A 65 -1.446 -2.070 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.972 0.244 -5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.170 -1.703 -4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.383 -0.195 -5.424 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.383 -3.735 -6.336 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.485 -1.887 -9.649 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.613 -4.011 -8.811 1.00 0.00 H new ATOM 907 N ILE A 66 -3.534 1.148 -3.325 1.00 0.00 N ATOM 908 CA ILE A 66 -3.876 1.856 -2.098 1.00 0.00 C ATOM 909 C ILE A 66 -5.273 2.462 -2.184 1.00 0.00 C ATOM 910 O ILE A 66 -5.554 3.274 -3.065 1.00 0.00 O ATOM 911 CB ILE A 66 -2.862 2.974 -1.792 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.473 2.379 -1.546 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.316 3.786 -0.589 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.423 3.414 -1.210 1.00 0.00 C ATOM 0 H ILE A 66 -4.020 1.485 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.850 1.122 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.805 3.639 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.535 1.658 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.159 1.830 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.589 4.572 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.287 4.235 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.398 3.134 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.536 2.921 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.333 4.122 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.714 3.947 -0.305 1.00 0.00 H new ATOM 926 N ASN A 67 -6.143 2.063 -1.263 1.00 0.00 N ATOM 927 CA ASN A 67 -7.511 2.568 -1.234 1.00 0.00 C ATOM 928 C ASN A 67 -8.187 2.385 -2.589 1.00 0.00 C ATOM 929 O ASN A 67 -8.893 3.272 -3.068 1.00 0.00 O ATOM 930 CB ASN A 67 -7.523 4.047 -0.842 1.00 0.00 C ATOM 931 CG ASN A 67 -7.619 4.246 0.658 1.00 0.00 C ATOM 932 OD1 ASN A 67 -8.600 3.847 1.287 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.599 4.866 1.240 1.00 0.00 N ATOM 0 H ASN A 67 -5.926 1.392 -0.527 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.067 1.997 -0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.616 4.526 -1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.365 4.542 -1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.608 5.028 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.806 5.180 0.680 1.00 0.00 H new ATOM 940 N GLY A 68 -7.967 1.226 -3.203 1.00 0.00 N ATOM 941 CA GLY A 68 -8.562 0.947 -4.497 1.00 0.00 C ATOM 942 C GLY A 68 -7.992 1.819 -5.598 1.00 0.00 C ATOM 943 O GLY A 68 -8.522 1.853 -6.708 1.00 0.00 O ATOM 0 H GLY A 68 -7.387 0.476 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.402 -0.101 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.640 1.100 -4.438 1.00 0.00 H new ATOM 947 N GLU A 69 -6.910 2.528 -5.289 1.00 0.00 N ATOM 948 CA GLU A 69 -6.271 3.407 -6.261 1.00 0.00 C ATOM 949 C GLU A 69 -5.010 2.763 -6.830 1.00 0.00 C ATOM 950 O GLU A 69 -4.233 2.145 -6.102 1.00 0.00 O ATOM 951 CB GLU A 69 -5.924 4.751 -5.617 1.00 0.00 C ATOM 952 CG GLU A 69 -7.079 5.373 -4.850 1.00 0.00 C ATOM 953 CD GLU A 69 -7.959 6.243 -5.725 1.00 0.00 C ATOM 954 OE1 GLU A 69 -7.438 7.212 -6.316 1.00 0.00 O ATOM 955 OE2 GLU A 69 -9.171 5.955 -5.820 1.00 0.00 O ATOM 0 H GLU A 69 -6.459 2.511 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.973 3.574 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.081 4.613 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.599 5.444 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.683 4.582 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.684 5.972 -4.029 1.00 0.00 H new ATOM 962 N SER A 70 -4.813 2.912 -8.136 1.00 0.00 N ATOM 963 CA SER A 70 -3.649 2.342 -8.804 1.00 0.00 C ATOM 964 C SER A 70 -2.415 3.209 -8.579 1.00 0.00 C ATOM 965 O SER A 70 -2.308 4.312 -9.117 1.00 0.00 O ATOM 966 CB SER A 70 -3.917 2.195 -10.303 1.00 0.00 C ATOM 967 OG SER A 70 -4.970 1.278 -10.546 1.00 0.00 O ATOM 0 H SER A 70 -5.445 3.423 -8.753 1.00 0.00 H new ATOM 0 HA SER A 70 -3.462 1.357 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.172 3.166 -10.727 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.012 1.855 -10.806 1.00 0.00 H new ATOM 0 HG SER A 70 -5.123 1.203 -11.511 1.00 0.00 H new ATOM 973 N THR A 71 -1.482 2.703 -7.778 1.00 0.00 N ATOM 974 CA THR A 71 -0.254 3.430 -7.479 1.00 0.00 C ATOM 975 C THR A 71 0.759 3.286 -8.609 1.00 0.00 C ATOM 976 O THR A 71 1.906 3.714 -8.483 1.00 0.00 O ATOM 977 CB THR A 71 0.384 2.940 -6.166 1.00 0.00 C ATOM 978 OG1 THR A 71 1.648 3.582 -5.966 1.00 0.00 O ATOM 979 CG2 THR A 71 0.573 1.430 -6.187 1.00 0.00 C ATOM 0 H THR A 71 -1.554 1.792 -7.325 1.00 0.00 H new ATOM 0 HA THR A 71 -0.527 4.480 -7.371 1.00 0.00 H new ATOM 0 HB THR A 71 -0.286 3.195 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.948 3.984 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.025 1.107 -5.249 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.395 0.944 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.224 1.156 -7.017 1.00 0.00 H new ATOM 987 N GLN A 72 0.328 2.681 -9.711 1.00 0.00 N ATOM 988 CA GLN A 72 1.199 2.480 -10.862 1.00 0.00 C ATOM 989 C GLN A 72 1.761 3.809 -11.358 1.00 0.00 C ATOM 990 O GLN A 72 2.761 3.843 -12.074 1.00 0.00 O ATOM 991 CB GLN A 72 0.437 1.783 -11.990 1.00 0.00 C ATOM 992 CG GLN A 72 1.226 1.679 -13.285 1.00 0.00 C ATOM 993 CD GLN A 72 0.547 0.797 -14.314 1.00 0.00 C ATOM 994 OE1 GLN A 72 0.684 -0.426 -14.287 1.00 0.00 O ATOM 995 NE2 GLN A 72 -0.191 1.415 -15.229 1.00 0.00 N ATOM 0 H GLN A 72 -0.619 2.322 -9.831 1.00 0.00 H new ATOM 0 HA GLN A 72 2.030 1.848 -10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.158 0.781 -11.663 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.489 2.326 -12.181 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.365 2.676 -13.702 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.218 1.282 -13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.277 2.431 -15.214 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.672 0.873 -15.947 1.00 0.00 H new ATOM 1004 N GLY A 73 1.110 4.902 -10.972 1.00 0.00 N ATOM 1005 CA GLY A 73 1.558 6.218 -11.387 1.00 0.00 C ATOM 1006 C GLY A 73 1.633 7.196 -10.232 1.00 0.00 C ATOM 1007 O GLY A 73 1.537 8.408 -10.427 1.00 0.00 O ATOM 0 H GLY A 73 0.280 4.899 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.540 6.134 -11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.878 6.607 -12.145 1.00 0.00 H new ATOM 1011 N LEU A 74 1.804 6.670 -9.024 1.00 0.00 N ATOM 1012 CA LEU A 74 1.891 7.505 -7.831 1.00 0.00 C ATOM 1013 C LEU A 74 3.256 7.366 -7.166 1.00 0.00 C ATOM 1014 O LEU A 74 3.675 6.265 -6.805 1.00 0.00 O ATOM 1015 CB LEU A 74 0.788 7.129 -6.840 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.644 7.196 -7.373 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.643 6.975 -6.247 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.897 8.531 -8.058 1.00 0.00 C ATOM 0 H LEU A 74 1.885 5.669 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 74 1.760 8.544 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.976 6.115 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.864 7.788 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.775 6.403 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.657 7.026 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.477 5.994 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.512 7.746 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.921 8.560 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.748 9.341 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.204 8.650 -8.891 1.00 0.00 H new ATOM 1030 N THR A 75 3.948 8.490 -7.004 1.00 0.00 N ATOM 1031 CA THR A 75 5.265 8.494 -6.382 1.00 0.00 C ATOM 1032 C THR A 75 5.161 8.311 -4.872 1.00 0.00 C ATOM 1033 O THR A 75 4.064 8.187 -4.326 1.00 0.00 O ATOM 1034 CB THR A 75 6.023 9.802 -6.678 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.190 10.928 -6.381 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.458 9.857 -8.135 1.00 0.00 C ATOM 0 H THR A 75 3.617 9.410 -7.296 1.00 0.00 H new ATOM 0 HA THR A 75 5.818 7.658 -6.809 1.00 0.00 H new ATOM 0 HB THR A 75 6.912 9.832 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.679 11.756 -6.570 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.991 10.789 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.115 9.014 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.580 9.807 -8.779 1.00 0.00 H new ATOM 1044 N HIS A 76 6.308 8.298 -4.201 1.00 0.00 N ATOM 1045 CA HIS A 76 6.345 8.132 -2.752 1.00 0.00 C ATOM 1046 C HIS A 76 5.527 9.218 -2.060 1.00 0.00 C ATOM 1047 O HIS A 76 5.063 9.037 -0.935 1.00 0.00 O ATOM 1048 CB HIS A 76 7.789 8.167 -2.251 1.00 0.00 C ATOM 1049 CG HIS A 76 7.906 8.108 -0.759 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.605 9.040 -0.021 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.407 7.221 0.134 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.532 8.729 1.261 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.810 7.629 1.382 1.00 0.00 N ATOM 0 H HIS A 76 7.224 8.400 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 76 5.908 7.163 -2.510 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.336 7.329 -2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.267 9.079 -2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.804 6.354 -0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.985 9.280 2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.588 7.159 2.260 1.00 0.00 H new ATOM 1062 N ALA A 77 5.356 10.347 -2.741 1.00 0.00 N ATOM 1063 CA ALA A 77 4.593 11.461 -2.192 1.00 0.00 C ATOM 1064 C ALA A 77 3.111 11.330 -2.526 1.00 0.00 C ATOM 1065 O ALA A 77 2.251 11.647 -1.705 1.00 0.00 O ATOM 1066 CB ALA A 77 5.139 12.782 -2.714 1.00 0.00 C ATOM 0 H ALA A 77 5.735 10.514 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 77 4.697 11.440 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.560 13.606 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.183 12.886 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.065 12.802 -3.801 1.00 0.00 H new ATOM 1072 N GLN A 78 2.821 10.860 -3.735 1.00 0.00 N ATOM 1073 CA GLN A 78 1.443 10.689 -4.177 1.00 0.00 C ATOM 1074 C GLN A 78 0.759 9.565 -3.405 1.00 0.00 C ATOM 1075 O GLN A 78 -0.305 9.760 -2.819 1.00 0.00 O ATOM 1076 CB GLN A 78 1.399 10.393 -5.677 1.00 0.00 C ATOM 1077 CG GLN A 78 1.688 11.607 -6.545 1.00 0.00 C ATOM 1078 CD GLN A 78 1.029 11.520 -7.908 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.197 11.537 -8.021 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.843 11.425 -8.954 1.00 0.00 N ATOM 0 H GLN A 78 3.522 10.591 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 78 0.908 11.618 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.124 9.612 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.415 10.000 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.341 12.505 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.766 11.710 -6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.853 11.414 -8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.457 11.363 -9.896 1.00 0.00 H new ATOM 1089 N ALA A 79 1.378 8.389 -3.409 1.00 0.00 N ATOM 1090 CA ALA A 79 0.830 7.235 -2.708 1.00 0.00 C ATOM 1091 C ALA A 79 0.517 7.573 -1.255 1.00 0.00 C ATOM 1092 O ALA A 79 -0.392 6.999 -0.655 1.00 0.00 O ATOM 1093 CB ALA A 79 1.799 6.064 -2.782 1.00 0.00 C ATOM 0 H ALA A 79 2.260 8.211 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.102 6.953 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.377 5.209 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.970 5.798 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.745 6.345 -2.320 1.00 0.00 H new ATOM 1099 N VAL A 80 1.275 8.510 -0.693 1.00 0.00 N ATOM 1100 CA VAL A 80 1.077 8.925 0.690 1.00 0.00 C ATOM 1101 C VAL A 80 -0.089 9.900 0.810 1.00 0.00 C ATOM 1102 O VAL A 80 -0.829 9.879 1.793 1.00 0.00 O ATOM 1103 CB VAL A 80 2.344 9.586 1.265 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.059 10.191 2.631 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.480 8.577 1.346 1.00 0.00 C ATOM 0 H VAL A 80 2.032 8.996 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 80 0.854 8.024 1.261 1.00 0.00 H new ATOM 0 HB VAL A 80 2.649 10.390 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.966 10.653 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.278 10.946 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.728 9.408 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.368 9.060 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.187 7.750 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.700 8.196 0.349 1.00 0.00 H new ATOM 1115 N GLU A 81 -0.248 10.752 -0.198 1.00 0.00 N ATOM 1116 CA GLU A 81 -1.325 11.734 -0.205 1.00 0.00 C ATOM 1117 C GLU A 81 -2.688 11.048 -0.206 1.00 0.00 C ATOM 1118 O GLU A 81 -3.677 11.607 0.267 1.00 0.00 O ATOM 1119 CB GLU A 81 -1.202 12.650 -1.424 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.750 14.049 -1.193 1.00 0.00 C ATOM 1121 CD GLU A 81 -0.718 14.988 -0.599 1.00 0.00 C ATOM 1122 OE1 GLU A 81 0.248 14.494 0.018 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -0.877 16.217 -0.751 1.00 0.00 O ATOM 0 H GLU A 81 0.355 10.782 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.241 12.334 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.152 12.723 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.729 12.196 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.105 14.457 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.611 13.993 -0.527 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.731 9.833 -0.742 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.972 9.070 -0.808 1.00 0.00 C ATOM 1132 C ARG A 82 -4.330 8.497 0.560 1.00 0.00 C ATOM 1133 O ARG A 82 -5.504 8.422 0.924 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.847 7.938 -1.830 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.523 8.419 -3.234 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.577 9.386 -3.749 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.453 9.618 -5.186 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.258 10.420 -5.874 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.240 11.064 -5.259 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -5.080 10.579 -7.179 1.00 0.00 N ATOM 0 H ARG A 82 -1.921 9.355 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.768 9.745 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.069 7.249 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.781 7.377 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.548 8.907 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.453 7.563 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.569 8.991 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.488 10.335 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.707 9.138 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.379 10.944 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.857 11.679 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.325 10.085 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.698 11.195 -7.707 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.312 8.094 1.313 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.520 7.529 2.640 1.00 0.00 C ATOM 1156 C ILE A 83 -3.940 8.604 3.636 1.00 0.00 C ATOM 1157 O ILE A 83 -4.925 8.446 4.357 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.249 6.831 3.160 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.668 5.912 2.084 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.557 6.045 4.426 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.338 5.302 2.464 1.00 0.00 C ATOM 0 H ILE A 83 -2.335 8.148 1.026 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.318 6.792 2.548 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.507 7.592 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.380 5.112 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.548 6.478 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.649 5.557 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.929 6.723 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.314 5.290 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.014 4.663 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.388 6.095 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.456 4.708 3.370 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.188 9.699 3.669 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.483 10.802 4.575 1.00 0.00 C ATOM 1175 C ARG A 84 -4.909 11.305 4.374 1.00 0.00 C ATOM 1176 O ARG A 84 -5.614 11.604 5.337 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.491 11.946 4.360 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.898 12.905 3.253 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.989 14.123 3.208 1.00 0.00 C ATOM 1180 NE ARG A 84 -2.415 15.158 4.146 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.739 16.283 4.356 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -0.612 16.515 3.698 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.191 17.177 5.226 1.00 0.00 N ATOM 0 H ARG A 84 -2.369 9.846 3.078 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.387 10.435 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.385 12.503 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.512 11.528 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.865 12.389 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.929 13.224 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.967 13.822 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.979 14.531 2.197 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.278 15.010 4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.262 15.829 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.095 17.379 3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.058 17.001 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.672 18.040 5.387 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.326 11.397 3.115 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.667 11.863 2.787 1.00 0.00 C ATOM 1199 C ALA A 85 -7.674 10.719 2.841 1.00 0.00 C ATOM 1200 O ALA A 85 -8.863 10.913 2.592 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.679 12.514 1.412 1.00 0.00 C ATOM 0 H ALA A 85 -4.754 11.155 2.306 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.958 12.605 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.687 12.857 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.996 13.364 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.362 11.788 0.663 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.190 9.525 3.169 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.061 8.367 3.249 1.00 0.00 C ATOM 1209 C GLY A 86 -9.092 8.493 4.353 1.00 0.00 C ATOM 1210 O GLY A 86 -10.151 7.869 4.297 1.00 0.00 O ATOM 0 H GLY A 86 -6.210 9.339 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.570 8.232 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.459 7.474 3.418 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.782 9.302 5.362 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.699 9.491 6.470 1.00 0.00 C ATOM 1216 C GLY A 87 -9.301 8.692 7.695 1.00 0.00 C ATOM 1217 O GLY A 87 -8.144 8.306 7.862 1.00 0.00 O ATOM 0 H GLY A 87 -7.912 9.830 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.739 10.549 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.703 9.200 6.161 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.275 8.434 8.581 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.043 7.674 9.813 1.00 0.00 C ATOM 1223 C PRO A 88 -9.765 6.200 9.542 1.00 0.00 C ATOM 1224 O PRO A 88 -9.200 5.501 10.383 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.357 7.838 10.582 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.381 8.097 9.532 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.677 8.863 8.447 1.00 0.00 C ATOM 0 HA PRO A 88 -9.168 8.032 10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.595 6.942 11.154 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.300 8.664 11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.790 7.163 9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.217 8.669 9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.078 8.624 7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.782 9.939 8.582 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.164 5.734 8.363 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.958 4.342 7.982 1.00 0.00 C ATOM 1237 C GLN A 89 -8.910 4.229 6.879 1.00 0.00 C ATOM 1238 O GLN A 89 -8.981 4.928 5.867 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.274 3.717 7.517 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.298 3.557 8.629 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.166 4.787 8.805 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.595 5.403 7.829 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -13.430 5.152 10.054 1.00 0.00 N ATOM 0 H GLN A 89 -10.632 6.300 7.655 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.598 3.802 8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.701 4.335 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.068 2.740 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.932 2.697 8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.782 3.344 9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.054 4.612 10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.009 5.972 10.234 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.938 3.346 7.082 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.875 3.142 6.104 1.00 0.00 C ATOM 1254 C LEU A 90 -7.119 1.875 5.291 1.00 0.00 C ATOM 1255 O LEU A 90 -7.644 0.886 5.804 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.519 3.057 6.807 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.442 2.240 6.092 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -3.058 2.783 6.414 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.543 0.771 6.476 1.00 0.00 C ATOM 0 H LEU A 90 -7.864 2.761 7.914 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.872 3.993 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.143 4.070 6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.672 2.630 7.798 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.603 2.326 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.305 2.189 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.989 3.821 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.887 2.729 7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.769 0.205 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.409 0.666 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.523 0.388 6.193 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.732 1.910 4.020 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.907 0.764 3.135 1.00 0.00 C ATOM 1273 C HIS A 91 -5.759 0.670 2.134 1.00 0.00 C ATOM 1274 O HIS A 91 -5.659 1.481 1.212 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.240 0.863 2.393 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.660 -0.418 1.742 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.417 -0.704 0.415 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.310 -1.495 2.244 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.901 -1.899 0.129 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.447 -2.401 1.221 1.00 0.00 N ATOM 0 H HIS A 91 -6.295 2.720 3.580 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.907 -0.138 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.014 1.176 3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.166 1.640 1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.656 -1.618 3.260 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.857 -2.384 -0.835 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.897 -3.313 1.293 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.896 -0.322 2.322 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.755 -0.521 1.435 1.00 0.00 C ATOM 1291 C LEU A 92 -3.701 -1.960 0.931 1.00 0.00 C ATOM 1292 O LEU A 92 -4.031 -2.896 1.659 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.454 -0.174 2.161 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.487 1.079 3.037 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.117 1.345 3.640 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.960 2.280 2.231 1.00 0.00 C ATOM 0 H LEU A 92 -4.964 -1.001 3.080 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.873 0.141 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.173 -1.022 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.667 -0.052 1.416 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.193 0.912 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.160 2.240 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.817 0.494 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.390 1.492 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.977 3.163 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.279 2.449 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.963 2.089 1.848 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.281 -2.128 -0.319 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.180 -3.453 -0.919 1.00 0.00 C ATOM 1310 C VAL A 93 -1.735 -3.936 -0.945 1.00 0.00 C ATOM 1311 O VAL A 93 -0.890 -3.364 -1.635 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.739 -3.462 -2.355 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -4.032 -4.885 -2.805 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.987 -2.597 -2.446 1.00 0.00 C ATOM 0 H VAL A 93 -3.005 -1.363 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.774 -4.127 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.986 -3.044 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.426 -4.871 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.113 -5.471 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.767 -5.334 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.368 -2.615 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.748 -2.983 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.740 -1.572 -2.169 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.457 -4.993 -0.190 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.113 -5.555 -0.127 1.00 0.00 C ATOM 1326 C ILE A 94 -0.090 -6.984 -0.658 1.00 0.00 C ATOM 1327 O ILE A 94 -1.044 -7.741 -0.476 1.00 0.00 O ATOM 1328 CB ILE A 94 0.435 -5.545 1.312 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.628 -4.107 1.797 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.745 -6.315 1.385 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.332 -3.220 0.794 1.00 0.00 C ATOM 0 H ILE A 94 -2.144 -5.478 0.387 1.00 0.00 H new ATOM 0 HA ILE A 94 0.521 -4.927 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.288 -6.034 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.346 -3.677 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.201 -4.119 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.120 -6.299 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.578 -7.347 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.477 -5.852 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.434 -2.216 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.320 -3.627 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.749 -3.178 -0.126 1.00 0.00 H new ATOM 1343 N ARG A 95 1.008 -7.348 -1.314 1.00 0.00 N ATOM 1344 CA ARG A 95 1.156 -8.687 -1.871 1.00 0.00 C ATOM 1345 C ARG A 95 2.534 -9.259 -1.552 1.00 0.00 C ATOM 1346 O ARG A 95 3.557 -8.680 -1.917 1.00 0.00 O ATOM 1347 CB ARG A 95 0.942 -8.659 -3.385 1.00 0.00 C ATOM 1348 CG ARG A 95 1.251 -9.982 -4.069 1.00 0.00 C ATOM 1349 CD ARG A 95 0.952 -9.922 -5.558 1.00 0.00 C ATOM 1350 NE ARG A 95 1.397 -11.126 -6.255 1.00 0.00 N ATOM 1351 CZ ARG A 95 0.893 -11.534 -7.414 1.00 0.00 C ATOM 1352 NH1 ARG A 95 -0.068 -10.837 -8.004 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.350 -12.640 -7.986 1.00 0.00 N ATOM 0 H ARG A 95 1.807 -6.734 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 95 0.401 -9.328 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.093 -8.386 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.570 -7.880 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.300 -10.235 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.662 -10.776 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.120 -9.792 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.442 -9.050 -5.991 1.00 0.00 H new ATOM 0 HE ARG A 95 2.136 -11.684 -5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.422 -9.986 -7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.454 -11.152 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.090 -13.179 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.962 -12.952 -8.876 1.00 0.00 H new ATOM 1367 N ARG A 96 2.553 -10.398 -0.868 1.00 0.00 N ATOM 1368 CA ARG A 96 3.805 -11.047 -0.498 1.00 0.00 C ATOM 1369 C ARG A 96 4.464 -11.689 -1.714 1.00 0.00 C ATOM 1370 O ARG A 96 3.845 -12.450 -2.459 1.00 0.00 O ATOM 1371 CB ARG A 96 3.556 -12.105 0.579 1.00 0.00 C ATOM 1372 CG ARG A 96 4.783 -12.943 0.904 1.00 0.00 C ATOM 1373 CD ARG A 96 4.653 -13.617 2.261 1.00 0.00 C ATOM 1374 NE ARG A 96 5.469 -14.825 2.352 1.00 0.00 N ATOM 1375 CZ ARG A 96 5.363 -15.711 3.336 1.00 0.00 C ATOM 1376 NH1 ARG A 96 4.480 -15.525 4.308 1.00 0.00 N ATOM 1377 NH2 ARG A 96 6.141 -16.786 3.349 1.00 0.00 N ATOM 0 H ARG A 96 1.715 -10.891 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 96 4.477 -10.286 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.212 -11.612 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.753 -12.764 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.923 -13.700 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.670 -12.310 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.951 -12.918 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.608 -13.871 2.441 1.00 0.00 H new ATOM 0 HE ARG A 96 6.158 -14.998 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.880 -14.700 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.401 -16.207 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.821 -16.932 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.059 -17.466 4.105 1.00 0.00 H new ATOM 1391 N PRO A 97 5.752 -11.377 -1.923 1.00 0.00 N ATOM 1392 CA PRO A 97 6.524 -11.913 -3.049 1.00 0.00 C ATOM 1393 C PRO A 97 6.808 -13.403 -2.900 1.00 0.00 C ATOM 1394 O PRO A 97 6.291 -14.057 -1.992 1.00 0.00 O ATOM 1395 CB PRO A 97 7.828 -11.112 -2.997 1.00 0.00 C ATOM 1396 CG PRO A 97 7.957 -10.689 -1.575 1.00 0.00 C ATOM 1397 CD PRO A 97 6.554 -10.478 -1.077 1.00 0.00 C ATOM 0 HA PRO A 97 5.987 -11.820 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.678 -11.719 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.790 -10.251 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.470 -11.450 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.543 -9.773 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.460 -10.731 -0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.241 -9.439 -1.185 1.00 0.00 H new ATOM 1405 N LEU A 98 7.632 -13.936 -3.795 1.00 0.00 N ATOM 1406 CA LEU A 98 7.986 -15.351 -3.762 1.00 0.00 C ATOM 1407 C LEU A 98 8.914 -15.654 -2.591 1.00 0.00 C ATOM 1408 O LEU A 98 9.869 -14.920 -2.337 1.00 0.00 O ATOM 1409 CB LEU A 98 8.654 -15.760 -5.076 1.00 0.00 C ATOM 1410 CG LEU A 98 7.833 -15.533 -6.346 1.00 0.00 C ATOM 1411 CD1 LEU A 98 8.748 -15.319 -7.542 1.00 0.00 C ATOM 1412 CD2 LEU A 98 6.896 -16.706 -6.592 1.00 0.00 C ATOM 0 H LEU A 98 8.068 -13.410 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 98 7.069 -15.926 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.591 -15.211 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.909 -16.818 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 98 7.230 -14.635 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.146 -15.159 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.377 -14.446 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.377 -16.198 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.320 -16.527 -7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.479 -17.620 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.217 -16.813 -5.746 1.00 0.00 H new ATOM 1424 N SER A 99 8.628 -16.740 -1.881 1.00 0.00 N ATOM 1425 CA SER A 99 9.437 -17.140 -0.735 1.00 0.00 C ATOM 1426 C SER A 99 10.824 -17.593 -1.180 1.00 0.00 C ATOM 1427 O SER A 99 10.999 -18.093 -2.290 1.00 0.00 O ATOM 1428 CB SER A 99 8.744 -18.264 0.038 1.00 0.00 C ATOM 1429 OG SER A 99 9.085 -18.222 1.413 1.00 0.00 O ATOM 0 H SER A 99 7.842 -17.359 -2.079 1.00 0.00 H new ATOM 0 HA SER A 99 9.549 -16.275 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.664 -18.175 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.030 -19.228 -0.382 1.00 0.00 H new ATOM 0 HG SER A 99 8.628 -18.949 1.886 1.00 0.00 H new ATOM 1435 N GLY A 100 11.808 -17.414 -0.304 1.00 0.00 N ATOM 1436 CA GLY A 100 13.167 -17.809 -0.624 1.00 0.00 C ATOM 1437 C GLY A 100 14.153 -16.667 -0.477 1.00 0.00 C ATOM 1438 O GLY A 100 14.502 -15.991 -1.446 1.00 0.00 O ATOM 0 H GLY A 100 11.688 -17.002 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.467 -18.630 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.201 -18.185 -1.646 1.00 0.00 H new ATOM 1442 N PRO A 101 14.617 -16.436 0.760 1.00 0.00 N ATOM 1443 CA PRO A 101 15.574 -15.366 1.059 1.00 0.00 C ATOM 1444 C PRO A 101 16.958 -15.650 0.487 1.00 0.00 C ATOM 1445 O PRO A 101 17.852 -14.805 0.549 1.00 0.00 O ATOM 1446 CB PRO A 101 15.621 -15.351 2.589 1.00 0.00 C ATOM 1447 CG PRO A 101 15.230 -16.730 2.994 1.00 0.00 C ATOM 1448 CD PRO A 101 14.244 -17.201 1.961 1.00 0.00 C ATOM 0 HA PRO A 101 15.274 -14.415 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 101 16.618 -15.100 2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.936 -14.609 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 101 16.099 -17.387 3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.784 -16.733 3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 101 14.320 -18.275 1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 101 13.217 -16.998 2.264 1.00 0.00 H new ATOM 1456 N SER A 102 17.130 -16.844 -0.072 1.00 0.00 N ATOM 1457 CA SER A 102 18.407 -17.240 -0.653 1.00 0.00 C ATOM 1458 C SER A 102 18.907 -16.186 -1.636 1.00 0.00 C ATOM 1459 O SER A 102 18.298 -15.959 -2.682 1.00 0.00 O ATOM 1460 CB SER A 102 18.273 -18.590 -1.359 1.00 0.00 C ATOM 1461 OG SER A 102 17.969 -19.621 -0.436 1.00 0.00 O ATOM 0 H SER A 102 16.400 -17.554 -0.135 1.00 0.00 H new ATOM 0 HA SER A 102 19.133 -17.331 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 102 17.490 -18.532 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.202 -18.826 -1.879 1.00 0.00 H new ATOM 0 HG SER A 102 17.887 -20.473 -0.913 1.00 0.00 H new ATOM 1467 N SER A 103 20.019 -15.545 -1.292 1.00 0.00 N ATOM 1468 CA SER A 103 20.600 -14.512 -2.141 1.00 0.00 C ATOM 1469 C SER A 103 21.741 -15.077 -2.981 1.00 0.00 C ATOM 1470 O SER A 103 22.627 -15.759 -2.467 1.00 0.00 O ATOM 1471 CB SER A 103 21.107 -13.347 -1.289 1.00 0.00 C ATOM 1472 OG SER A 103 21.790 -12.393 -2.084 1.00 0.00 O ATOM 0 H SER A 103 20.536 -15.723 -0.431 1.00 0.00 H new ATOM 0 HA SER A 103 19.822 -14.149 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 103 20.267 -12.870 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.774 -13.723 -0.513 1.00 0.00 H new ATOM 0 HG SER A 103 22.103 -11.658 -1.516 1.00 0.00 H new ATOM 1478 N GLY A 104 21.713 -14.788 -4.279 1.00 0.00 N ATOM 1479 CA GLY A 104 22.749 -15.275 -5.170 1.00 0.00 C ATOM 1480 C GLY A 104 22.788 -16.788 -5.243 1.00 0.00 C ATOM 1481 O GLY A 104 22.650 -17.368 -6.319 1.00 0.00 O ATOM 0 H GLY A 104 20.991 -14.225 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.584 -14.870 -6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 104 23.717 -14.906 -4.832 1.00 0.00 H new TER 1485 GLY A 104