USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 841 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 32 SER OG : rot -99:sc= 0.5 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 MET CE :methyl -177:sc= -4.01! (180deg=-4.34!) USER MOD Set 2.2: A 28 GLN : amide:sc= -3.72! C(o=-17!,f=-23!) USER MOD Set 2.3: A 35 GLN :FLIP amide:sc= -4.07! C(o=-23!,f=-17!) USER MOD Set 2.4: A 73 GLN :FLIP amide:sc= -0.431 F(o=-19,f=-17) USER MOD Set 2.5: A 83 GLN :FLIP amide:sc= -0.0142 F(o=-21,f=-17) USER MOD Set 2.6: A 84 MET CE :methyl 142:sc= -0.395 (180deg=-0.79) USER MOD Set 2.7: A 87 MET CE :methyl -143:sc= -4.84! (180deg=-5.68!) USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -6.77! C(o=-12!,f=-6.9!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -0.167 K(o=-6.9,f=-7.7) USER MOD Single : A 5 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.48) USER MOD Single : A 11 GLN : amide:sc= -3.49! C(o=-3.5!,f=-4.2!) USER MOD Single : A 12 MET CE :methyl 159:sc= -1.28 (180deg=-3.15) USER MOD Single : A 13 GLN : amide:sc= -3.05 X(o=-3,f=-3.3!) USER MOD Single : A 15 GLN : amide:sc= -4.98! C(o=-5!,f=-9!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 17 MET CE :methyl -136:sc= -1.57 (180deg=-5.68!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 23 MET CE :methyl 154:sc= -0.104 (180deg=-0.739) USER MOD Single : A 24 TYR OH : rot -117:sc= -0.6 USER MOD Single : A 29 MET CE :methyl -168:sc= -4.54! (180deg=-5.55!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 160:sc= 0 (180deg=-0.236) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 151:sc= -0.454 (180deg=-0.82) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.7 K(o=-1.7,f=-4.2!) USER MOD Single : A 56 MET CE :methyl -115:sc= -0.74 (180deg=-3.78) USER MOD Single : A 59 SER OG : rot 180:sc= -0.884 USER MOD Single : A 67 MET CE :methyl -149:sc= -0.259 (180deg=-1.36) USER MOD Single : A 68 MET CE :methyl 158:sc= -2.06! (180deg=-3.71!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -141:sc= -0.169 (180deg=-1.15) USER MOD Single : A 72 MET CE :methyl -136:sc= -3.2! (180deg=-6.98!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.67 F(o=-4.3!,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 150:sc= -0.0859 (180deg=-0.645) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.811 F(o=-1.9,f=-0.81) USER MOD Single : A 88 MET CE :methyl 160:sc= -1.19 (180deg=-2.22!) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.586 F(o=-2.3!,f=-0.59) USER MOD Single : A 96 SER OG : rot 73:sc= 1.24 USER MOD Single : A 99 ASN :FLIP amide:sc= -5.38! C(o=-8.8!,f=-5.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -156:sc= -0.165 (180deg=-1.2) USER MOD Single : A 107 MET CE :methyl -148:sc= -7.09 (180deg=-11.1!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -0.216 43.235 -10.388 1.00 0.00 N ATOM 19 CA ALA A 2 -0.898 43.981 -11.441 1.00 0.00 C ATOM 20 C ALA A 2 -2.263 44.461 -10.958 1.00 0.00 C ATOM 21 O ALA A 2 -2.928 43.782 -10.175 1.00 0.00 O ATOM 22 CB ALA A 2 -1.073 43.097 -12.677 1.00 0.00 C ATOM 0 HA ALA A 2 -0.291 44.849 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.583 43.661 -13.458 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.095 42.779 -13.038 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.666 42.220 -12.416 1.00 0.00 H new ATOM 28 N GLU A 3 -2.674 45.635 -11.430 1.00 0.00 N ATOM 29 CA GLU A 3 -3.963 46.199 -11.042 1.00 0.00 C ATOM 30 C GLU A 3 -5.111 45.300 -11.499 1.00 0.00 C ATOM 31 O GLU A 3 -6.193 45.314 -10.911 1.00 0.00 O ATOM 32 CB GLU A 3 -4.127 47.599 -11.645 1.00 0.00 C ATOM 33 CG GLU A 3 -4.297 47.495 -13.165 1.00 0.00 C ATOM 34 CD GLU A 3 -4.314 48.890 -13.784 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.326 49.562 -13.654 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.317 49.268 -14.377 1.00 0.00 O ATOM 0 H GLU A 3 -2.137 46.211 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.991 46.269 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.993 48.094 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.256 48.211 -11.409 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.483 46.909 -13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.224 46.972 -13.401 1.00 0.00 H new ATOM 43 N ALA A 4 -4.865 44.521 -12.551 1.00 0.00 N ATOM 44 CA ALA A 4 -5.884 43.619 -13.081 1.00 0.00 C ATOM 45 C ALA A 4 -6.193 42.511 -12.085 1.00 0.00 C ATOM 46 O ALA A 4 -7.162 41.768 -12.246 1.00 0.00 O ATOM 47 CB ALA A 4 -5.418 43.014 -14.407 1.00 0.00 C ATOM 0 H ALA A 4 -3.976 44.496 -13.050 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.793 44.195 -13.253 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.187 42.344 -14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.239 43.812 -15.128 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.496 42.455 -14.248 1.00 0.00 H new ATOM 53 N GLN A 5 -5.369 42.424 -11.052 1.00 0.00 N ATOM 54 CA GLN A 5 -5.551 41.424 -10.011 1.00 0.00 C ATOM 55 C GLN A 5 -6.982 41.461 -9.478 1.00 0.00 C ATOM 56 O GLN A 5 -7.549 40.428 -9.123 1.00 0.00 O ATOM 57 CB GLN A 5 -4.577 41.720 -8.875 1.00 0.00 C ATOM 58 CG GLN A 5 -4.836 40.774 -7.696 1.00 0.00 C ATOM 59 CD GLN A 5 -5.652 41.486 -6.621 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.127 42.333 -5.900 1.00 0.00 O ATOM 61 NE2 GLN A 5 -6.915 41.192 -6.473 1.00 0.00 N ATOM 0 H GLN A 5 -4.565 43.036 -10.912 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.362 40.433 -10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.552 41.604 -9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.688 42.755 -8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.369 39.888 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.889 40.433 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.349 40.489 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.468 41.665 -5.759 1.00 0.00 H new ATOM 70 N GLU A 6 -7.552 42.662 -9.419 1.00 0.00 N ATOM 71 CA GLU A 6 -8.914 42.837 -8.923 1.00 0.00 C ATOM 72 C GLU A 6 -9.879 41.879 -9.621 1.00 0.00 C ATOM 73 O GLU A 6 -10.789 41.339 -8.989 1.00 0.00 O ATOM 74 CB GLU A 6 -9.361 44.287 -9.143 1.00 0.00 C ATOM 75 CG GLU A 6 -9.482 44.573 -10.643 1.00 0.00 C ATOM 76 CD GLU A 6 -9.700 46.066 -10.874 1.00 0.00 C ATOM 77 OE1 GLU A 6 -10.802 46.529 -10.629 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.761 46.723 -11.295 1.00 0.00 O ATOM 0 H GLU A 6 -7.093 43.526 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.925 42.611 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.319 44.460 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.643 44.971 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.579 44.245 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.313 44.006 -11.064 1.00 0.00 H new ATOM 85 N GLU A 7 -9.667 41.658 -10.919 1.00 0.00 N ATOM 86 CA GLU A 7 -10.513 40.748 -11.677 1.00 0.00 C ATOM 87 C GLU A 7 -10.524 39.391 -11.000 1.00 0.00 C ATOM 88 O GLU A 7 -11.556 38.727 -10.921 1.00 0.00 O ATOM 89 CB GLU A 7 -9.983 40.601 -13.111 1.00 0.00 C ATOM 90 CG GLU A 7 -10.919 39.695 -13.931 1.00 0.00 C ATOM 91 CD GLU A 7 -10.674 38.219 -13.613 1.00 0.00 C ATOM 92 OE1 GLU A 7 -9.555 37.877 -13.266 1.00 0.00 O ATOM 93 OE2 GLU A 7 -11.612 37.448 -13.733 1.00 0.00 O ATOM 0 H GLU A 7 -8.921 42.095 -11.460 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.525 41.150 -11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.909 41.581 -13.582 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.978 40.179 -13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.957 39.949 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.762 39.872 -14.995 1.00 0.00 H new ATOM 100 N CYS A 8 -9.351 38.989 -10.522 1.00 0.00 N ATOM 101 CA CYS A 8 -9.203 37.706 -9.862 1.00 0.00 C ATOM 102 C CYS A 8 -9.996 37.666 -8.561 1.00 0.00 C ATOM 103 O CYS A 8 -10.763 36.735 -8.325 1.00 0.00 O ATOM 104 CB CYS A 8 -7.726 37.437 -9.574 1.00 0.00 C ATOM 105 SG CYS A 8 -6.781 37.577 -11.109 1.00 0.00 S ATOM 0 H CYS A 8 -8.492 39.536 -10.581 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.592 36.934 -10.526 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.352 38.148 -8.837 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.603 36.442 -9.147 1.00 0.00 H new ATOM 110 N ARG A 9 -9.809 38.684 -7.721 1.00 0.00 N ATOM 111 CA ARG A 9 -10.517 38.745 -6.447 1.00 0.00 C ATOM 112 C ARG A 9 -12.021 38.633 -6.675 1.00 0.00 C ATOM 113 O ARG A 9 -12.691 37.817 -6.046 1.00 0.00 O ATOM 114 CB ARG A 9 -10.197 40.063 -5.735 1.00 0.00 C ATOM 115 CG ARG A 9 -10.831 40.063 -4.341 1.00 0.00 C ATOM 116 CD ARG A 9 -10.563 41.404 -3.655 1.00 0.00 C ATOM 117 NE ARG A 9 -11.065 41.378 -2.284 1.00 0.00 N ATOM 118 CZ ARG A 9 -11.155 42.491 -1.557 1.00 0.00 C ATOM 119 NH1 ARG A 9 -10.788 43.638 -2.062 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.609 42.433 -0.335 1.00 0.00 N ATOM 0 H ARG A 9 -9.181 39.468 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.191 37.912 -5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.118 40.191 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.575 40.903 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.905 39.891 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.420 39.249 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.493 41.613 -3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.045 42.208 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.353 40.489 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.431 43.684 -3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.859 44.488 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.894 41.537 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.679 43.283 0.224 1.00 0.00 H new ATOM 134 N GLU A 10 -12.538 39.446 -7.592 1.00 0.00 N ATOM 135 CA GLU A 10 -13.960 39.419 -7.911 1.00 0.00 C ATOM 136 C GLU A 10 -14.350 38.046 -8.451 1.00 0.00 C ATOM 137 O GLU A 10 -15.398 37.500 -8.102 1.00 0.00 O ATOM 138 CB GLU A 10 -14.281 40.491 -8.957 1.00 0.00 C ATOM 139 CG GLU A 10 -15.774 40.450 -9.305 1.00 0.00 C ATOM 140 CD GLU A 10 -16.014 39.521 -10.495 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.396 39.734 -11.526 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.814 38.609 -10.358 1.00 0.00 O ATOM 0 H GLU A 10 -11.996 40.127 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.527 39.620 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.015 41.476 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.685 40.326 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.346 40.105 -8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.127 41.454 -9.541 1.00 0.00 H new ATOM 149 N GLN A 11 -13.491 37.503 -9.309 1.00 0.00 N ATOM 150 CA GLN A 11 -13.730 36.198 -9.912 1.00 0.00 C ATOM 151 C GLN A 11 -13.893 35.120 -8.840 1.00 0.00 C ATOM 152 O GLN A 11 -14.741 34.235 -8.963 1.00 0.00 O ATOM 153 CB GLN A 11 -12.559 35.847 -10.838 1.00 0.00 C ATOM 154 CG GLN A 11 -12.918 34.635 -11.700 1.00 0.00 C ATOM 155 CD GLN A 11 -11.784 34.321 -12.675 1.00 0.00 C ATOM 156 OE1 GLN A 11 -11.894 33.390 -13.473 1.00 0.00 O ATOM 157 NE2 GLN A 11 -10.694 35.042 -12.659 1.00 0.00 N ATOM 0 H GLN A 11 -12.622 37.949 -9.602 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.655 36.241 -10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.321 36.699 -11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.669 35.632 -10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.108 33.771 -11.063 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.837 34.833 -12.252 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.602 35.813 -11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.935 34.833 -13.308 1.00 0.00 H new ATOM 166 N MET A 12 -13.072 35.198 -7.792 1.00 0.00 N ATOM 167 CA MET A 12 -13.130 34.219 -6.707 1.00 0.00 C ATOM 168 C MET A 12 -14.537 34.104 -6.121 1.00 0.00 C ATOM 169 O MET A 12 -14.999 33.001 -5.829 1.00 0.00 O ATOM 170 CB MET A 12 -12.144 34.595 -5.598 1.00 0.00 C ATOM 171 CG MET A 12 -10.710 34.383 -6.087 1.00 0.00 C ATOM 172 SD MET A 12 -9.567 34.578 -4.698 1.00 0.00 S ATOM 173 CE MET A 12 -9.987 33.040 -3.838 1.00 0.00 C ATOM 0 H MET A 12 -12.365 35.923 -7.672 1.00 0.00 H new ATOM 0 HA MET A 12 -12.857 33.252 -7.129 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.289 35.635 -5.307 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.330 33.988 -4.712 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.605 33.389 -6.522 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.472 35.101 -6.872 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.171 32.762 -3.171 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.898 33.185 -3.257 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.145 32.246 -4.568 1.00 0.00 H new ATOM 183 N GLN A 13 -15.215 35.239 -5.943 1.00 0.00 N ATOM 184 CA GLN A 13 -16.567 35.217 -5.383 1.00 0.00 C ATOM 185 C GLN A 13 -17.489 34.364 -6.245 1.00 0.00 C ATOM 186 O GLN A 13 -18.206 33.508 -5.735 1.00 0.00 O ATOM 187 CB GLN A 13 -17.134 36.637 -5.283 1.00 0.00 C ATOM 188 CG GLN A 13 -16.550 37.348 -4.058 1.00 0.00 C ATOM 189 CD GLN A 13 -15.085 37.700 -4.292 1.00 0.00 C ATOM 190 OE1 GLN A 13 -14.202 36.874 -4.061 1.00 0.00 O ATOM 191 NE2 GLN A 13 -14.771 38.886 -4.737 1.00 0.00 N ATOM 0 H GLN A 13 -14.860 36.167 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.509 34.785 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.896 37.197 -6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.221 36.599 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.119 38.254 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.640 36.707 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.504 39.569 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.793 39.129 -4.894 1.00 0.00 H new ATOM 200 N ARG A 14 -17.440 34.588 -7.554 1.00 0.00 N ATOM 201 CA ARG A 14 -18.245 33.820 -8.487 1.00 0.00 C ATOM 202 C ARG A 14 -17.868 32.363 -8.355 1.00 0.00 C ATOM 203 O ARG A 14 -18.724 31.480 -8.292 1.00 0.00 O ATOM 204 CB ARG A 14 -17.987 34.297 -9.920 1.00 0.00 C ATOM 205 CG ARG A 14 -19.028 33.689 -10.868 1.00 0.00 C ATOM 206 CD ARG A 14 -20.176 34.681 -11.073 1.00 0.00 C ATOM 207 NE ARG A 14 -19.709 35.840 -11.831 1.00 0.00 N ATOM 208 CZ ARG A 14 -20.360 37.000 -11.796 1.00 0.00 C ATOM 209 NH1 ARG A 14 -21.447 37.125 -11.083 1.00 0.00 N ATOM 210 NH2 ARG A 14 -19.911 38.018 -12.479 1.00 0.00 N ATOM 0 H ARG A 14 -16.850 35.297 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.303 33.955 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.034 35.385 -9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.984 34.008 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.566 33.448 -11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.410 32.755 -10.455 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.996 34.196 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.567 35.002 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.866 35.758 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.801 36.331 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.942 38.017 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -19.063 37.923 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.408 38.908 -12.454 1.00 0.00 H new ATOM 224 N GLN A 15 -16.559 32.133 -8.306 1.00 0.00 N ATOM 225 CA GLN A 15 -16.037 30.799 -8.169 1.00 0.00 C ATOM 226 C GLN A 15 -16.172 30.348 -6.723 1.00 0.00 C ATOM 227 O GLN A 15 -15.205 30.330 -5.960 1.00 0.00 O ATOM 228 CB GLN A 15 -14.573 30.778 -8.617 1.00 0.00 C ATOM 229 CG GLN A 15 -14.507 30.624 -10.143 1.00 0.00 C ATOM 230 CD GLN A 15 -15.423 31.641 -10.824 1.00 0.00 C ATOM 231 OE1 GLN A 15 -14.984 32.725 -11.195 1.00 0.00 O ATOM 232 NE2 GLN A 15 -16.683 31.351 -11.010 1.00 0.00 N ATOM 0 H GLN A 15 -15.848 32.862 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.601 30.110 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.075 31.698 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.046 29.955 -8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.481 30.764 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.802 29.613 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.050 30.450 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.300 32.025 -11.463 1.00 0.00 H new ATOM 241 N GLN A 16 -17.393 29.987 -6.368 1.00 0.00 N ATOM 242 CA GLN A 16 -17.703 29.530 -5.018 1.00 0.00 C ATOM 243 C GLN A 16 -17.359 28.053 -4.867 1.00 0.00 C ATOM 244 O GLN A 16 -18.100 27.284 -4.251 1.00 0.00 O ATOM 245 CB GLN A 16 -19.187 29.763 -4.728 1.00 0.00 C ATOM 246 CG GLN A 16 -19.481 31.258 -4.850 1.00 0.00 C ATOM 247 CD GLN A 16 -20.947 31.556 -4.556 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.751 30.641 -4.371 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.344 32.799 -4.505 1.00 0.00 N ATOM 0 H GLN A 16 -18.194 30.001 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.106 30.096 -4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.802 29.198 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.437 29.409 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.848 31.814 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.232 31.600 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.676 33.554 -4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.322 33.014 -4.312 1.00 0.00 H new ATOM 258 N MET A 17 -16.222 27.666 -5.438 1.00 0.00 N ATOM 259 CA MET A 17 -15.768 26.279 -5.374 1.00 0.00 C ATOM 260 C MET A 17 -15.446 25.886 -3.939 1.00 0.00 C ATOM 261 O MET A 17 -15.380 24.704 -3.607 1.00 0.00 O ATOM 262 CB MET A 17 -14.532 26.092 -6.266 1.00 0.00 C ATOM 263 CG MET A 17 -13.258 25.965 -5.415 1.00 0.00 C ATOM 264 SD MET A 17 -11.849 26.630 -6.329 1.00 0.00 S ATOM 265 CE MET A 17 -12.345 28.370 -6.253 1.00 0.00 C ATOM 0 H MET A 17 -15.599 28.291 -5.949 1.00 0.00 H new ATOM 0 HA MET A 17 -16.568 25.633 -5.735 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.654 25.201 -6.882 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.437 26.939 -6.946 1.00 0.00 H new ATOM 0 HG2 MET A 17 -13.381 26.503 -4.475 1.00 0.00 H new ATOM 0 HG3 MET A 17 -13.080 24.920 -5.163 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.200 28.833 -7.229 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.396 28.437 -5.972 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.737 28.889 -5.512 1.00 0.00 H new ATOM 275 N LEU A 18 -15.222 26.895 -3.107 1.00 0.00 N ATOM 276 CA LEU A 18 -14.869 26.681 -1.712 1.00 0.00 C ATOM 277 C LEU A 18 -15.974 25.947 -0.968 1.00 0.00 C ATOM 278 O LEU A 18 -15.700 25.222 -0.021 1.00 0.00 O ATOM 279 CB LEU A 18 -14.589 28.021 -1.038 1.00 0.00 C ATOM 280 CG LEU A 18 -13.383 28.684 -1.711 1.00 0.00 C ATOM 281 CD1 LEU A 18 -13.781 29.204 -3.095 1.00 0.00 C ATOM 282 CD2 LEU A 18 -12.891 29.849 -0.847 1.00 0.00 C ATOM 0 H LEU A 18 -15.280 27.877 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.973 26.062 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.463 28.668 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.392 27.873 0.024 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.585 27.950 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.919 29.674 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.125 28.373 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.583 29.935 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.033 30.320 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.691 30.581 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.599 29.476 0.135 1.00 0.00 H new ATOM 294 N SER A 19 -17.221 26.121 -1.398 1.00 0.00 N ATOM 295 CA SER A 19 -18.322 25.424 -0.746 1.00 0.00 C ATOM 296 C SER A 19 -18.139 23.921 -0.942 1.00 0.00 C ATOM 297 O SER A 19 -18.207 23.131 0.007 1.00 0.00 O ATOM 298 CB SER A 19 -19.656 25.869 -1.350 1.00 0.00 C ATOM 299 OG SER A 19 -19.751 27.287 -1.288 1.00 0.00 O ATOM 0 H SER A 19 -17.489 26.724 -2.176 1.00 0.00 H new ATOM 0 HA SER A 19 -18.326 25.660 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.730 25.533 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.484 25.414 -0.807 1.00 0.00 H new ATOM 0 HG SER A 19 -20.604 27.575 -1.676 1.00 0.00 H new ATOM 305 N HIS A 20 -17.865 23.547 -2.190 1.00 0.00 N ATOM 306 CA HIS A 20 -17.633 22.152 -2.536 1.00 0.00 C ATOM 307 C HIS A 20 -16.281 21.727 -1.991 1.00 0.00 C ATOM 308 O HIS A 20 -16.101 20.591 -1.553 1.00 0.00 O ATOM 309 CB HIS A 20 -17.654 21.970 -4.058 1.00 0.00 C ATOM 310 CG HIS A 20 -18.529 23.023 -4.686 1.00 0.00 C ATOM 311 ND1 HIS A 20 -18.109 23.783 -5.764 1.00 0.00 N ATOM 312 CD2 HIS A 20 -19.794 23.465 -4.386 1.00 0.00 C ATOM 313 CE1 HIS A 20 -19.101 24.639 -6.070 1.00 0.00 C ATOM 314 NE2 HIS A 20 -20.151 24.488 -5.259 1.00 0.00 N ATOM 0 H HIS A 20 -17.799 24.193 -2.977 1.00 0.00 H new ATOM 0 HA HIS A 20 -18.421 21.537 -2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -16.642 22.041 -4.456 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -18.027 20.977 -4.310 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -17.210 23.708 -6.240 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -20.417 23.078 -3.593 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -19.054 25.360 -6.873 1.00 0.00 H new ATOM 322 N CYS A 21 -15.335 22.663 -2.010 1.00 0.00 N ATOM 323 CA CYS A 21 -14.003 22.392 -1.502 1.00 0.00 C ATOM 324 C CYS A 21 -14.097 22.078 -0.009 1.00 0.00 C ATOM 325 O CYS A 21 -13.506 21.112 0.475 1.00 0.00 O ATOM 326 CB CYS A 21 -13.080 23.596 -1.756 1.00 0.00 C ATOM 327 SG CYS A 21 -11.479 22.995 -2.361 1.00 0.00 S ATOM 0 H CYS A 21 -15.470 23.608 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.577 21.533 -2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.530 24.268 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.945 24.167 -0.838 1.00 0.00 H new ATOM 332 N ARG A 22 -14.880 22.881 0.709 1.00 0.00 N ATOM 333 CA ARG A 22 -15.088 22.656 2.135 1.00 0.00 C ATOM 334 C ARG A 22 -15.647 21.254 2.320 1.00 0.00 C ATOM 335 O ARG A 22 -15.188 20.486 3.175 1.00 0.00 O ATOM 336 CB ARG A 22 -16.069 23.692 2.698 1.00 0.00 C ATOM 337 CG ARG A 22 -16.130 23.574 4.225 1.00 0.00 C ATOM 338 CD ARG A 22 -14.854 24.156 4.842 1.00 0.00 C ATOM 339 NE ARG A 22 -14.002 23.083 5.348 1.00 0.00 N ATOM 340 CZ ARG A 22 -13.028 23.324 6.225 1.00 0.00 C ATOM 341 NH1 ARG A 22 -12.825 24.534 6.667 1.00 0.00 N ATOM 342 NH2 ARG A 22 -12.277 22.346 6.645 1.00 0.00 N ATOM 0 H ARG A 22 -15.377 23.687 0.329 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.143 22.757 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.754 24.696 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.060 23.536 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.003 24.104 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.241 22.529 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.313 24.738 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.112 24.838 5.652 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.156 22.128 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.413 25.301 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.078 24.713 7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.435 21.398 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.531 22.528 7.316 1.00 0.00 H new ATOM 356 N MET A 23 -16.624 20.913 1.475 1.00 0.00 N ATOM 357 CA MET A 23 -17.212 19.585 1.520 1.00 0.00 C ATOM 358 C MET A 23 -16.098 18.559 1.359 1.00 0.00 C ATOM 359 O MET A 23 -16.094 17.524 2.020 1.00 0.00 O ATOM 360 CB MET A 23 -18.248 19.421 0.404 1.00 0.00 C ATOM 361 CG MET A 23 -19.003 18.102 0.591 1.00 0.00 C ATOM 362 SD MET A 23 -20.128 17.846 -0.805 1.00 0.00 S ATOM 363 CE MET A 23 -18.876 17.406 -2.037 1.00 0.00 C ATOM 0 H MET A 23 -17.015 21.532 0.765 1.00 0.00 H new ATOM 0 HA MET A 23 -17.719 19.438 2.474 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.948 20.257 0.418 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.755 19.434 -0.568 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.298 17.274 0.660 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.564 18.121 1.525 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.328 16.781 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 23 -18.479 18.313 -2.492 1.00 0.00 H new ATOM 0 HE3 MET A 23 -18.067 16.858 -1.554 1.00 0.00 H new ATOM 373 N TYR A 24 -15.139 18.878 0.484 1.00 0.00 N ATOM 374 CA TYR A 24 -13.996 18.002 0.251 1.00 0.00 C ATOM 375 C TYR A 24 -13.235 17.796 1.557 1.00 0.00 C ATOM 376 O TYR A 24 -12.824 16.683 1.872 1.00 0.00 O ATOM 377 CB TYR A 24 -13.085 18.598 -0.844 1.00 0.00 C ATOM 378 CG TYR A 24 -11.646 18.738 -0.374 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.926 17.615 0.058 1.00 0.00 C ATOM 380 CD2 TYR A 24 -11.030 19.997 -0.385 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.599 17.752 0.478 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.701 20.131 0.034 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.987 19.011 0.466 1.00 0.00 C ATOM 384 OH TYR A 24 -7.677 19.146 0.876 1.00 0.00 O ATOM 0 H TYR A 24 -15.135 19.734 -0.071 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.344 17.030 -0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.117 17.962 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.466 19.575 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.397 16.643 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.581 20.864 -0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.046 16.886 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.227 21.101 0.023 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.640 19.718 1.671 1.00 0.00 H new ATOM 394 N MET A 25 -13.055 18.874 2.318 1.00 0.00 N ATOM 395 CA MET A 25 -12.348 18.776 3.592 1.00 0.00 C ATOM 396 C MET A 25 -13.026 17.723 4.466 1.00 0.00 C ATOM 397 O MET A 25 -12.397 16.758 4.925 1.00 0.00 O ATOM 398 CB MET A 25 -12.386 20.122 4.319 1.00 0.00 C ATOM 399 CG MET A 25 -11.810 21.224 3.422 1.00 0.00 C ATOM 400 SD MET A 25 -10.036 20.959 3.183 1.00 0.00 S ATOM 401 CE MET A 25 -9.514 21.399 4.859 1.00 0.00 C ATOM 0 H MET A 25 -13.383 19.810 2.080 1.00 0.00 H new ATOM 0 HA MET A 25 -11.312 18.496 3.402 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.412 20.366 4.594 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.814 20.060 5.245 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.320 21.224 2.458 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.983 22.201 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.427 21.356 4.925 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.852 22.409 5.092 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.948 20.698 5.571 1.00 0.00 H new ATOM 411 N ARG A 26 -14.330 17.897 4.663 1.00 0.00 N ATOM 412 CA ARG A 26 -15.096 16.941 5.451 1.00 0.00 C ATOM 413 C ARG A 26 -14.988 15.570 4.796 1.00 0.00 C ATOM 414 O ARG A 26 -14.832 14.543 5.465 1.00 0.00 O ATOM 415 CB ARG A 26 -16.562 17.378 5.523 1.00 0.00 C ATOM 416 CG ARG A 26 -17.329 16.467 6.486 1.00 0.00 C ATOM 417 CD ARG A 26 -18.813 16.843 6.484 1.00 0.00 C ATOM 418 NE ARG A 26 -18.990 18.221 6.940 1.00 0.00 N ATOM 419 CZ ARG A 26 -19.101 19.234 6.081 1.00 0.00 C ATOM 420 NH1 ARG A 26 -19.044 19.020 4.793 1.00 0.00 N ATOM 421 NH2 ARG A 26 -19.263 20.449 6.529 1.00 0.00 N ATOM 0 H ARG A 26 -14.870 18.679 4.293 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.700 16.895 6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.626 18.413 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.013 17.336 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.208 15.425 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.922 16.561 7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.222 16.730 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.368 16.165 7.132 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.030 18.412 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.914 18.072 4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.130 19.801 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.304 20.621 7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.348 21.227 5.875 1.00 0.00 H new ATOM 435 N GLN A 27 -15.041 15.575 3.469 1.00 0.00 N ATOM 436 CA GLN A 27 -14.922 14.354 2.706 1.00 0.00 C ATOM 437 C GLN A 27 -13.599 13.681 3.031 1.00 0.00 C ATOM 438 O GLN A 27 -13.506 12.458 3.109 1.00 0.00 O ATOM 439 CB GLN A 27 -15.022 14.647 1.202 1.00 0.00 C ATOM 440 CG GLN A 27 -14.856 13.351 0.400 1.00 0.00 C ATOM 441 CD GLN A 27 -15.776 12.268 0.950 1.00 0.00 C ATOM 442 OE1 GLN A 27 -15.550 11.792 2.142 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -16.723 11.853 0.283 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.166 16.416 2.905 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.739 13.684 2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.986 15.103 0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.254 15.364 0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.085 13.533 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.820 13.016 0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.894 12.230 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.337 11.132 0.662 1.00 0.00 H new ATOM 452 N GLN A 28 -12.573 14.482 3.245 1.00 0.00 N ATOM 453 CA GLN A 28 -11.289 13.928 3.576 1.00 0.00 C ATOM 454 C GLN A 28 -11.394 13.189 4.895 1.00 0.00 C ATOM 455 O GLN A 28 -10.808 12.123 5.068 1.00 0.00 O ATOM 456 CB GLN A 28 -10.275 15.040 3.693 1.00 0.00 C ATOM 457 CG GLN A 28 -8.886 14.463 4.008 1.00 0.00 C ATOM 458 CD GLN A 28 -8.776 14.110 5.493 1.00 0.00 C ATOM 459 OE1 GLN A 28 -9.251 14.855 6.349 1.00 0.00 O ATOM 460 NE2 GLN A 28 -8.169 13.010 5.847 1.00 0.00 N ATOM 0 H GLN A 28 -12.608 15.500 3.195 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.972 13.237 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.238 15.607 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.575 15.734 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.709 13.574 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.116 15.187 3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.776 12.393 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.088 12.767 6.834 1.00 0.00 H new ATOM 469 N MET A 29 -12.153 13.769 5.827 1.00 0.00 N ATOM 470 CA MET A 29 -12.326 13.138 7.130 1.00 0.00 C ATOM 471 C MET A 29 -12.932 11.750 6.973 1.00 0.00 C ATOM 472 O MET A 29 -12.425 10.782 7.539 1.00 0.00 O ATOM 473 CB MET A 29 -13.223 13.993 8.032 1.00 0.00 C ATOM 474 CG MET A 29 -12.443 15.212 8.528 1.00 0.00 C ATOM 475 SD MET A 29 -10.869 14.667 9.238 1.00 0.00 S ATOM 476 CE MET A 29 -11.541 13.439 10.389 1.00 0.00 C ATOM 0 H MET A 29 -12.646 14.654 5.706 1.00 0.00 H new ATOM 0 HA MET A 29 -11.344 13.048 7.594 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.108 14.314 7.482 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.571 13.403 8.879 1.00 0.00 H new ATOM 0 HG2 MET A 29 -12.264 15.903 7.704 1.00 0.00 H new ATOM 0 HG3 MET A 29 -13.025 15.751 9.275 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.762 13.127 11.084 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.370 13.877 10.945 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.896 12.573 9.831 1.00 0.00 H new ATOM 486 N GLU A 30 -14.000 11.642 6.185 1.00 0.00 N ATOM 487 CA GLU A 30 -14.618 10.334 5.964 1.00 0.00 C ATOM 488 C GLU A 30 -13.660 9.424 5.193 1.00 0.00 C ATOM 489 O GLU A 30 -13.413 8.283 5.586 1.00 0.00 O ATOM 490 CB GLU A 30 -15.930 10.482 5.188 1.00 0.00 C ATOM 491 CG GLU A 30 -17.003 11.092 6.098 1.00 0.00 C ATOM 492 CD GLU A 30 -16.902 12.613 6.086 1.00 0.00 C ATOM 493 OE1 GLU A 30 -17.158 13.197 5.045 1.00 0.00 O ATOM 494 OE2 GLU A 30 -16.578 13.175 7.121 1.00 0.00 O ATOM 0 H GLU A 30 -14.447 12.420 5.700 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.835 9.887 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.777 11.116 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.259 9.509 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.993 10.784 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.881 10.720 7.115 1.00 0.00 H new ATOM 501 N GLU A 31 -13.122 9.953 4.096 1.00 0.00 N ATOM 502 CA GLU A 31 -12.180 9.216 3.252 1.00 0.00 C ATOM 503 C GLU A 31 -10.827 9.031 3.938 1.00 0.00 C ATOM 504 O GLU A 31 -9.933 8.411 3.374 1.00 0.00 O ATOM 505 CB GLU A 31 -11.984 9.943 1.919 1.00 0.00 C ATOM 506 CG GLU A 31 -13.275 9.857 1.098 1.00 0.00 C ATOM 507 CD GLU A 31 -13.119 10.570 -0.248 1.00 0.00 C ATOM 508 OE1 GLU A 31 -12.077 11.167 -0.474 1.00 0.00 O ATOM 509 OE2 GLU A 31 -14.051 10.513 -1.032 1.00 0.00 O ATOM 0 H GLU A 31 -13.324 10.897 3.768 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.606 8.229 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.721 10.986 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.158 9.496 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.535 8.812 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.096 10.305 1.658 1.00 0.00 H new ATOM 516 N SER A 32 -10.670 9.606 5.131 1.00 0.00 N ATOM 517 CA SER A 32 -9.403 9.526 5.863 1.00 0.00 C ATOM 518 C SER A 32 -8.694 8.187 5.641 1.00 0.00 C ATOM 519 O SER A 32 -7.529 8.149 5.264 1.00 0.00 O ATOM 520 CB SER A 32 -9.652 9.727 7.359 1.00 0.00 C ATOM 521 OG SER A 32 -10.555 8.731 7.825 1.00 0.00 O ATOM 0 H SER A 32 -11.401 10.131 5.611 1.00 0.00 H new ATOM 0 HA SER A 32 -8.756 10.315 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.712 9.666 7.907 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.063 10.720 7.540 1.00 0.00 H new ATOM 0 HG SER A 32 -11.459 9.107 7.876 1.00 0.00 H new ATOM 527 N THR A 33 -9.396 7.092 5.872 1.00 0.00 N ATOM 528 CA THR A 33 -8.802 5.769 5.690 1.00 0.00 C ATOM 529 C THR A 33 -8.285 5.593 4.257 1.00 0.00 C ATOM 530 O THR A 33 -7.246 4.970 4.033 1.00 0.00 O ATOM 531 CB THR A 33 -9.845 4.688 5.997 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.380 4.905 7.294 1.00 0.00 O ATOM 533 CG2 THR A 33 -9.190 3.305 5.939 1.00 0.00 C ATOM 0 H THR A 33 -10.368 7.086 6.183 1.00 0.00 H new ATOM 0 HA THR A 33 -7.960 5.673 6.375 1.00 0.00 H new ATOM 0 HB THR A 33 -10.645 4.737 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.048 4.216 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.935 2.540 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.780 3.138 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.388 3.251 6.675 1.00 0.00 H new ATOM 541 N TYR A 34 -9.037 6.126 3.300 1.00 0.00 N ATOM 542 CA TYR A 34 -8.687 6.015 1.882 1.00 0.00 C ATOM 543 C TYR A 34 -7.978 7.267 1.343 1.00 0.00 C ATOM 544 O TYR A 34 -7.741 7.359 0.137 1.00 0.00 O ATOM 545 CB TYR A 34 -9.958 5.768 1.065 1.00 0.00 C ATOM 546 CG TYR A 34 -10.659 4.535 1.587 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.243 3.264 1.174 1.00 0.00 C ATOM 548 CD2 TYR A 34 -11.726 4.665 2.486 1.00 0.00 C ATOM 549 CE1 TYR A 34 -10.893 2.123 1.659 1.00 0.00 C ATOM 550 CE2 TYR A 34 -12.375 3.524 2.972 1.00 0.00 C ATOM 551 CZ TYR A 34 -11.959 2.253 2.558 1.00 0.00 C ATOM 552 OH TYR A 34 -12.599 1.129 3.037 1.00 0.00 O ATOM 0 H TYR A 34 -9.898 6.643 3.479 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.992 5.181 1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.620 6.632 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.707 5.639 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.421 3.164 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.048 5.646 2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.572 1.142 1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.196 3.624 3.666 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.314 1.397 3.651 1.00 0.00 H new ATOM 562 N GLN A 35 -7.680 8.242 2.212 1.00 0.00 N ATOM 563 CA GLN A 35 -7.040 9.491 1.762 1.00 0.00 C ATOM 564 C GLN A 35 -6.045 9.262 0.632 1.00 0.00 C ATOM 565 O GLN A 35 -5.911 10.107 -0.254 1.00 0.00 O ATOM 566 CB GLN A 35 -6.311 10.208 2.893 1.00 0.00 C ATOM 567 CG GLN A 35 -5.443 9.232 3.692 1.00 0.00 C ATOM 568 CD GLN A 35 -5.425 9.654 5.156 1.00 0.00 C ATOM 569 OE1 GLN A 35 -6.453 10.293 5.642 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -4.456 9.395 5.871 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.867 8.195 3.214 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.861 10.112 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.688 11.002 2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.036 10.681 3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.835 8.219 3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.429 9.219 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.656 8.895 5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.454 9.681 6.850 1.00 0.00 H new ATOM 579 N THR A 36 -5.340 8.135 0.663 1.00 0.00 N ATOM 580 CA THR A 36 -4.365 7.858 -0.380 1.00 0.00 C ATOM 581 C THR A 36 -5.068 7.785 -1.729 1.00 0.00 C ATOM 582 O THR A 36 -5.794 6.832 -2.018 1.00 0.00 O ATOM 583 CB THR A 36 -3.647 6.534 -0.093 1.00 0.00 C ATOM 584 OG1 THR A 36 -3.108 6.566 1.221 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.517 6.328 -1.105 1.00 0.00 C ATOM 0 H THR A 36 -5.423 7.416 1.382 1.00 0.00 H new ATOM 0 HA THR A 36 -3.627 8.660 -0.401 1.00 0.00 H new ATOM 0 HB THR A 36 -4.358 5.712 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.650 5.720 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.010 5.386 -0.897 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.931 6.302 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.804 7.149 -1.027 1.00 0.00 H new ATOM 593 N MET A 37 -4.847 8.811 -2.544 1.00 0.00 N ATOM 594 CA MET A 37 -5.460 8.883 -3.865 1.00 0.00 C ATOM 595 C MET A 37 -4.958 7.750 -4.760 1.00 0.00 C ATOM 596 O MET A 37 -3.763 7.664 -5.049 1.00 0.00 O ATOM 597 CB MET A 37 -5.139 10.235 -4.510 1.00 0.00 C ATOM 598 CG MET A 37 -5.733 11.364 -3.660 1.00 0.00 C ATOM 599 SD MET A 37 -7.504 11.518 -4.012 1.00 0.00 S ATOM 600 CE MET A 37 -7.376 12.779 -5.304 1.00 0.00 C ATOM 0 H MET A 37 -4.248 9.604 -2.313 1.00 0.00 H new ATOM 0 HA MET A 37 -6.539 8.779 -3.752 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.060 10.361 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.547 10.273 -5.520 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.579 11.156 -2.601 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.225 12.303 -3.878 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.284 12.776 -5.907 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.249 13.759 -4.844 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.518 12.562 -5.940 1.00 0.00 H new ATOM 610 N PRO A 38 -5.839 6.889 -5.209 1.00 0.00 N ATOM 611 CA PRO A 38 -5.469 5.750 -6.096 1.00 0.00 C ATOM 612 C PRO A 38 -5.229 6.209 -7.530 1.00 0.00 C ATOM 613 O PRO A 38 -5.919 7.100 -8.026 1.00 0.00 O ATOM 614 CB PRO A 38 -6.682 4.826 -6.013 1.00 0.00 C ATOM 615 CG PRO A 38 -7.836 5.727 -5.730 1.00 0.00 C ATOM 616 CD PRO A 38 -7.286 6.906 -4.924 1.00 0.00 C ATOM 0 HA PRO A 38 -4.541 5.267 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.827 4.280 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.559 4.083 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.294 6.072 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.609 5.202 -5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.742 7.847 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.484 6.788 -3.859 1.00 0.00 H new ATOM 624 N ARG A 39 -4.253 5.597 -8.192 1.00 0.00 N ATOM 625 CA ARG A 39 -3.942 5.957 -9.572 1.00 0.00 C ATOM 626 C ARG A 39 -5.141 5.682 -10.456 1.00 0.00 C ATOM 627 O ARG A 39 -5.465 6.466 -11.349 1.00 0.00 O ATOM 628 CB ARG A 39 -2.785 5.118 -10.096 1.00 0.00 C ATOM 629 CG ARG A 39 -1.596 5.205 -9.134 1.00 0.00 C ATOM 630 CD ARG A 39 -0.404 4.445 -9.722 1.00 0.00 C ATOM 631 NE ARG A 39 0.667 4.344 -8.733 1.00 0.00 N ATOM 632 CZ ARG A 39 0.608 3.468 -7.732 1.00 0.00 C ATOM 633 NH1 ARG A 39 -0.423 2.674 -7.613 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.582 3.403 -6.867 1.00 0.00 N ATOM 0 H ARG A 39 -3.669 4.857 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.678 7.014 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.099 4.080 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.490 5.469 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.328 6.248 -8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.867 4.784 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.717 3.448 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.040 4.958 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 39 1.478 4.958 -8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.186 2.724 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.465 2.004 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.387 4.023 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.539 2.733 -6.099 1.00 0.00 H new ATOM 648 N ARG A 40 -5.792 4.549 -10.203 1.00 0.00 N ATOM 649 CA ARG A 40 -6.948 4.169 -10.989 1.00 0.00 C ATOM 650 C ARG A 40 -8.117 5.069 -10.656 1.00 0.00 C ATOM 651 O ARG A 40 -8.810 4.883 -9.654 1.00 0.00 O ATOM 652 CB ARG A 40 -7.317 2.710 -10.720 1.00 0.00 C ATOM 653 CG ARG A 40 -6.258 1.794 -11.338 1.00 0.00 C ATOM 654 CD ARG A 40 -6.447 1.732 -12.858 1.00 0.00 C ATOM 655 NE ARG A 40 -7.741 1.140 -13.186 1.00 0.00 N ATOM 656 CZ ARG A 40 -7.923 -0.180 -13.186 1.00 0.00 C ATOM 657 NH1 ARG A 40 -6.935 -0.980 -12.888 1.00 0.00 N ATOM 658 NH2 ARG A 40 -9.093 -0.675 -13.484 1.00 0.00 N ATOM 0 H ARG A 40 -5.538 3.889 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.704 4.278 -12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.385 2.533 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.297 2.488 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.261 2.165 -11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.336 0.794 -10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.381 2.735 -13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.647 1.144 -13.307 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.523 1.751 -13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.020 -0.595 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.078 -1.990 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.866 -0.052 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.234 -1.685 -13.485 1.00 0.00 H new ATOM 672 N GLY A 41 -8.318 6.042 -11.523 1.00 0.00 N ATOM 673 CA GLY A 41 -9.407 7.002 -11.363 1.00 0.00 C ATOM 674 C GLY A 41 -9.375 7.650 -9.981 1.00 0.00 C ATOM 675 O GLY A 41 -10.050 7.191 -9.057 1.00 0.00 O ATOM 0 H GLY A 41 -7.742 6.194 -12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.331 7.772 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.363 6.499 -11.509 1.00 0.00 H new ATOM 679 N MET A 42 -8.589 8.717 -9.846 1.00 0.00 N ATOM 680 CA MET A 42 -8.473 9.426 -8.571 1.00 0.00 C ATOM 681 C MET A 42 -9.848 9.868 -8.069 1.00 0.00 C ATOM 682 O MET A 42 -10.857 9.691 -8.753 1.00 0.00 O ATOM 683 CB MET A 42 -7.569 10.652 -8.735 1.00 0.00 C ATOM 684 CG MET A 42 -6.137 10.200 -9.029 1.00 0.00 C ATOM 685 SD MET A 42 -5.051 11.648 -9.099 1.00 0.00 S ATOM 686 CE MET A 42 -3.529 10.772 -9.540 1.00 0.00 C ATOM 0 H MET A 42 -8.025 9.109 -10.600 1.00 0.00 H new ATOM 0 HA MET A 42 -8.036 8.746 -7.840 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.936 11.281 -9.546 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.591 11.256 -7.828 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.795 9.512 -8.256 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.102 9.659 -9.975 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.712 11.487 -9.637 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.287 10.048 -8.762 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.670 10.252 -10.488 1.00 0.00 H new ATOM 696 N GLU A 43 -9.879 10.443 -6.868 1.00 0.00 N ATOM 697 CA GLU A 43 -11.134 10.901 -6.281 1.00 0.00 C ATOM 698 C GLU A 43 -11.679 12.102 -7.057 1.00 0.00 C ATOM 699 O GLU A 43 -11.045 13.156 -7.107 1.00 0.00 O ATOM 700 CB GLU A 43 -10.904 11.294 -4.818 1.00 0.00 C ATOM 701 CG GLU A 43 -12.238 11.664 -4.156 1.00 0.00 C ATOM 702 CD GLU A 43 -13.047 10.406 -3.846 1.00 0.00 C ATOM 703 OE1 GLU A 43 -12.489 9.495 -3.255 1.00 0.00 O ATOM 704 OE2 GLU A 43 -14.215 10.376 -4.196 1.00 0.00 O ATOM 0 H GLU A 43 -9.056 10.601 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.862 10.091 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.439 10.468 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.216 12.137 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.053 12.220 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.809 12.318 -4.815 1.00 0.00 H new ATOM 711 N PRO A 44 -12.836 11.957 -7.659 1.00 0.00 N ATOM 712 CA PRO A 44 -13.474 13.051 -8.450 1.00 0.00 C ATOM 713 C PRO A 44 -13.908 14.216 -7.566 1.00 0.00 C ATOM 714 O PRO A 44 -13.906 15.370 -7.998 1.00 0.00 O ATOM 715 CB PRO A 44 -14.682 12.380 -9.111 1.00 0.00 C ATOM 716 CG PRO A 44 -14.983 11.180 -8.276 1.00 0.00 C ATOM 717 CD PRO A 44 -13.662 10.738 -7.648 1.00 0.00 C ATOM 0 HA PRO A 44 -12.784 13.486 -9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.536 13.057 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.458 12.096 -10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.717 11.419 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.408 10.382 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.807 10.364 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.197 9.936 -8.220 1.00 0.00 H new ATOM 725 N HIS A 45 -14.277 13.904 -6.325 1.00 0.00 N ATOM 726 CA HIS A 45 -14.710 14.931 -5.383 1.00 0.00 C ATOM 727 C HIS A 45 -13.653 16.024 -5.278 1.00 0.00 C ATOM 728 O HIS A 45 -13.965 17.215 -5.322 1.00 0.00 O ATOM 729 CB HIS A 45 -14.934 14.313 -4.000 1.00 0.00 C ATOM 730 CG HIS A 45 -15.978 13.232 -4.081 1.00 0.00 C ATOM 731 ND1 HIS A 45 -16.153 12.300 -3.070 1.00 0.00 N ATOM 732 CD2 HIS A 45 -16.906 12.918 -5.044 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.150 11.478 -3.443 1.00 0.00 C ATOM 734 NE2 HIS A 45 -17.644 11.809 -4.639 1.00 0.00 N ATOM 0 H HIS A 45 -14.285 12.955 -5.951 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.643 15.363 -5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -13.999 13.899 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -15.250 15.083 -3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.042 13.450 -5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.508 10.651 -2.848 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -18.399 11.348 -5.146 1.00 0.00 H new ATOM 742 N MET A 46 -12.399 15.601 -5.141 1.00 0.00 N ATOM 743 CA MET A 46 -11.285 16.536 -5.030 1.00 0.00 C ATOM 744 C MET A 46 -11.109 17.315 -6.331 1.00 0.00 C ATOM 745 O MET A 46 -10.832 18.515 -6.320 1.00 0.00 O ATOM 746 CB MET A 46 -9.994 15.765 -4.729 1.00 0.00 C ATOM 747 CG MET A 46 -10.195 14.859 -3.511 1.00 0.00 C ATOM 748 SD MET A 46 -10.925 15.808 -2.156 1.00 0.00 S ATOM 749 CE MET A 46 -11.875 14.457 -1.415 1.00 0.00 C ATOM 0 H MET A 46 -12.130 14.618 -5.104 1.00 0.00 H new ATOM 0 HA MET A 46 -11.499 17.235 -4.222 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.708 15.167 -5.594 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.179 16.464 -4.542 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.843 14.022 -3.772 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.240 14.437 -3.198 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.983 14.632 -0.345 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.862 14.410 -1.876 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.354 13.514 -1.578 1.00 0.00 H new ATOM 759 N SER A 47 -11.262 16.608 -7.449 1.00 0.00 N ATOM 760 CA SER A 47 -11.111 17.209 -8.771 1.00 0.00 C ATOM 761 C SER A 47 -12.077 18.373 -8.977 1.00 0.00 C ATOM 762 O SER A 47 -11.756 19.335 -9.676 1.00 0.00 O ATOM 763 CB SER A 47 -11.348 16.152 -9.850 1.00 0.00 C ATOM 764 OG SER A 47 -10.504 15.035 -9.607 1.00 0.00 O ATOM 0 H SER A 47 -11.491 15.614 -7.464 1.00 0.00 H new ATOM 0 HA SER A 47 -10.095 17.597 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.393 15.841 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.143 16.570 -10.836 1.00 0.00 H new ATOM 0 HG SER A 47 -10.655 14.355 -10.296 1.00 0.00 H new ATOM 770 N GLU A 48 -13.266 18.274 -8.385 1.00 0.00 N ATOM 771 CA GLU A 48 -14.271 19.323 -8.540 1.00 0.00 C ATOM 772 C GLU A 48 -13.715 20.681 -8.116 1.00 0.00 C ATOM 773 O GLU A 48 -13.939 21.686 -8.793 1.00 0.00 O ATOM 774 CB GLU A 48 -15.511 18.997 -7.702 1.00 0.00 C ATOM 775 CG GLU A 48 -16.716 19.778 -8.244 1.00 0.00 C ATOM 776 CD GLU A 48 -17.148 20.850 -7.245 1.00 0.00 C ATOM 777 OE1 GLU A 48 -16.317 21.669 -6.885 1.00 0.00 O ATOM 778 OE2 GLU A 48 -18.305 20.837 -6.858 1.00 0.00 O ATOM 0 H GLU A 48 -13.554 17.489 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.545 19.370 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.714 17.927 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.336 19.257 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.459 20.242 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.544 19.095 -8.435 1.00 0.00 H new ATOM 785 N CYS A 49 -12.983 20.708 -7.004 1.00 0.00 N ATOM 786 CA CYS A 49 -12.399 21.957 -6.525 1.00 0.00 C ATOM 787 C CYS A 49 -11.345 22.452 -7.516 1.00 0.00 C ATOM 788 O CYS A 49 -11.358 23.614 -7.918 1.00 0.00 O ATOM 789 CB CYS A 49 -11.767 21.758 -5.137 1.00 0.00 C ATOM 790 SG CYS A 49 -11.506 23.373 -4.352 1.00 0.00 S ATOM 0 H CYS A 49 -12.783 19.892 -6.426 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.189 22.703 -6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.416 21.141 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.818 21.230 -5.230 1.00 0.00 H new ATOM 795 N CYS A 50 -10.440 21.551 -7.904 1.00 0.00 N ATOM 796 CA CYS A 50 -9.371 21.879 -8.851 1.00 0.00 C ATOM 797 C CYS A 50 -9.918 22.455 -10.156 1.00 0.00 C ATOM 798 O CYS A 50 -9.286 23.309 -10.781 1.00 0.00 O ATOM 799 CB CYS A 50 -8.561 20.624 -9.177 1.00 0.00 C ATOM 800 SG CYS A 50 -7.038 21.095 -10.035 1.00 0.00 S ATOM 0 H CYS A 50 -10.426 20.585 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.742 22.632 -8.376 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.323 20.084 -8.261 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.149 19.950 -9.800 1.00 0.00 H new ATOM 805 N GLU A 51 -11.073 21.958 -10.583 1.00 0.00 N ATOM 806 CA GLU A 51 -11.669 22.406 -11.837 1.00 0.00 C ATOM 807 C GLU A 51 -11.913 23.916 -11.843 1.00 0.00 C ATOM 808 O GLU A 51 -11.731 24.570 -12.869 1.00 0.00 O ATOM 809 CB GLU A 51 -12.992 21.671 -12.078 1.00 0.00 C ATOM 810 CG GLU A 51 -13.496 21.970 -13.496 1.00 0.00 C ATOM 811 CD GLU A 51 -12.555 21.364 -14.540 1.00 0.00 C ATOM 812 OE1 GLU A 51 -11.977 20.324 -14.264 1.00 0.00 O ATOM 813 OE2 GLU A 51 -12.435 21.944 -15.606 1.00 0.00 O ATOM 0 H GLU A 51 -11.612 21.250 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.965 22.176 -12.637 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.852 20.598 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.734 21.986 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.500 21.565 -13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.566 23.048 -13.643 1.00 0.00 H new ATOM 820 N GLN A 52 -12.343 24.462 -10.708 1.00 0.00 N ATOM 821 CA GLN A 52 -12.621 25.894 -10.627 1.00 0.00 C ATOM 822 C GLN A 52 -11.380 26.726 -10.969 1.00 0.00 C ATOM 823 O GLN A 52 -11.442 27.615 -11.818 1.00 0.00 O ATOM 824 CB GLN A 52 -13.115 26.257 -9.228 1.00 0.00 C ATOM 825 CG GLN A 52 -13.908 27.561 -9.301 1.00 0.00 C ATOM 826 CD GLN A 52 -15.352 27.270 -9.707 1.00 0.00 C ATOM 827 OE1 GLN A 52 -16.137 26.778 -8.897 1.00 0.00 O ATOM 828 NE2 GLN A 52 -15.747 27.540 -10.920 1.00 0.00 N ATOM 0 H GLN A 52 -12.505 23.944 -9.844 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.397 26.123 -11.358 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.741 25.458 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.270 26.368 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.887 28.064 -8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.448 28.237 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.095 27.948 -11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.708 27.343 -11.199 1.00 0.00 H new ATOM 837 N LEU A 53 -10.255 26.422 -10.317 1.00 0.00 N ATOM 838 CA LEU A 53 -9.003 27.143 -10.582 1.00 0.00 C ATOM 839 C LEU A 53 -8.661 26.982 -12.042 1.00 0.00 C ATOM 840 O LEU A 53 -8.373 27.938 -12.762 1.00 0.00 O ATOM 841 CB LEU A 53 -7.848 26.539 -9.773 1.00 0.00 C ATOM 842 CG LEU A 53 -8.219 26.421 -8.293 1.00 0.00 C ATOM 843 CD1 LEU A 53 -8.970 27.675 -7.829 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.100 25.184 -8.110 1.00 0.00 C ATOM 0 H LEU A 53 -10.183 25.691 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.137 28.189 -10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.598 25.555 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.959 27.161 -9.881 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.314 26.326 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.227 27.576 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.336 28.551 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.882 27.791 -8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.374 25.085 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.003 25.288 -8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.552 24.297 -8.428 1.00 0.00 H new ATOM 856 N GLU A 54 -8.722 25.731 -12.443 1.00 0.00 N ATOM 857 CA GLU A 54 -8.456 25.322 -13.798 1.00 0.00 C ATOM 858 C GLU A 54 -9.325 26.105 -14.784 1.00 0.00 C ATOM 859 O GLU A 54 -8.900 26.398 -15.902 1.00 0.00 O ATOM 860 CB GLU A 54 -8.719 23.821 -13.856 1.00 0.00 C ATOM 861 CG GLU A 54 -8.795 23.334 -15.308 1.00 0.00 C ATOM 862 CD GLU A 54 -9.189 21.854 -15.357 1.00 0.00 C ATOM 863 OE1 GLU A 54 -9.274 21.239 -14.305 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.399 21.357 -16.451 1.00 0.00 O ATOM 0 H GLU A 54 -8.963 24.958 -11.822 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.426 25.532 -14.086 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.926 23.288 -13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.652 23.591 -13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.523 23.929 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.831 23.476 -15.797 1.00 0.00 H new ATOM 871 N GLY A 55 -10.534 26.459 -14.350 1.00 0.00 N ATOM 872 CA GLY A 55 -11.450 27.229 -15.187 1.00 0.00 C ATOM 873 C GLY A 55 -11.248 28.728 -14.964 1.00 0.00 C ATOM 874 O GLY A 55 -11.698 29.553 -15.760 1.00 0.00 O ATOM 0 H GLY A 55 -10.900 26.225 -13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.284 26.986 -16.237 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.480 26.956 -14.955 1.00 0.00 H new ATOM 878 N MET A 56 -10.561 29.063 -13.874 1.00 0.00 N ATOM 879 CA MET A 56 -10.283 30.456 -13.530 1.00 0.00 C ATOM 880 C MET A 56 -9.020 30.940 -14.237 1.00 0.00 C ATOM 881 O MET A 56 -8.144 30.140 -14.570 1.00 0.00 O ATOM 882 CB MET A 56 -10.116 30.581 -12.007 1.00 0.00 C ATOM 883 CG MET A 56 -9.460 31.920 -11.652 1.00 0.00 C ATOM 884 SD MET A 56 -9.380 32.098 -9.851 1.00 0.00 S ATOM 885 CE MET A 56 -11.146 32.379 -9.565 1.00 0.00 C ATOM 0 H MET A 56 -10.185 28.385 -13.211 1.00 0.00 H new ATOM 0 HA MET A 56 -11.117 31.076 -13.857 1.00 0.00 H new ATOM 0 HB2 MET A 56 -11.088 30.504 -11.520 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.506 29.759 -11.632 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.458 31.970 -12.077 1.00 0.00 H new ATOM 0 HG3 MET A 56 -10.031 32.742 -12.084 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.296 33.387 -9.178 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.689 32.266 -10.503 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.517 31.653 -8.842 1.00 0.00 H new ATOM 895 N ASP A 57 -8.928 32.254 -14.464 1.00 0.00 N ATOM 896 CA ASP A 57 -7.760 32.822 -15.131 1.00 0.00 C ATOM 897 C ASP A 57 -6.480 32.329 -14.465 1.00 0.00 C ATOM 898 O ASP A 57 -6.407 32.227 -13.241 1.00 0.00 O ATOM 899 CB ASP A 57 -7.812 34.351 -15.067 1.00 0.00 C ATOM 900 CG ASP A 57 -9.046 34.877 -15.802 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.477 34.234 -16.747 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.539 35.922 -15.410 1.00 0.00 O ATOM 0 H ASP A 57 -9.640 32.934 -14.198 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.766 32.503 -16.173 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.835 34.677 -14.027 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.910 34.770 -15.513 1.00 0.00 H new ATOM 907 N GLU A 58 -5.480 32.007 -15.279 1.00 0.00 N ATOM 908 CA GLU A 58 -4.213 31.503 -14.759 1.00 0.00 C ATOM 909 C GLU A 58 -3.611 32.436 -13.710 1.00 0.00 C ATOM 910 O GLU A 58 -3.314 32.015 -12.592 1.00 0.00 O ATOM 911 CB GLU A 58 -3.218 31.327 -15.904 1.00 0.00 C ATOM 912 CG GLU A 58 -1.858 30.933 -15.330 1.00 0.00 C ATOM 913 CD GLU A 58 -0.837 30.778 -16.453 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.856 29.746 -17.106 1.00 0.00 O ATOM 915 OE2 GLU A 58 -0.048 31.690 -16.641 1.00 0.00 O ATOM 0 H GLU A 58 -5.521 32.085 -16.295 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.415 30.545 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.571 30.561 -16.594 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.132 32.253 -16.473 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.520 31.691 -14.623 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.946 29.998 -14.777 1.00 0.00 H new ATOM 922 N SER A 59 -3.426 33.697 -14.080 1.00 0.00 N ATOM 923 CA SER A 59 -2.849 34.680 -13.167 1.00 0.00 C ATOM 924 C SER A 59 -3.661 34.763 -11.878 1.00 0.00 C ATOM 925 O SER A 59 -3.128 35.069 -10.810 1.00 0.00 O ATOM 926 CB SER A 59 -2.817 36.051 -13.842 1.00 0.00 C ATOM 927 OG SER A 59 -2.093 36.960 -13.028 1.00 0.00 O ATOM 0 H SER A 59 -3.665 34.064 -15.001 1.00 0.00 H new ATOM 0 HA SER A 59 -1.834 34.369 -12.919 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.351 35.974 -14.824 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.832 36.415 -13.999 1.00 0.00 H new ATOM 0 HG SER A 59 -2.070 37.839 -13.460 1.00 0.00 H new ATOM 933 N CYS A 60 -4.955 34.496 -11.998 1.00 0.00 N ATOM 934 CA CYS A 60 -5.863 34.548 -10.855 1.00 0.00 C ATOM 935 C CYS A 60 -5.675 33.352 -9.927 1.00 0.00 C ATOM 936 O CYS A 60 -6.020 33.418 -8.747 1.00 0.00 O ATOM 937 CB CYS A 60 -7.311 34.611 -11.339 1.00 0.00 C ATOM 938 SG CYS A 60 -7.548 36.131 -12.292 1.00 0.00 S ATOM 0 H CYS A 60 -5.403 34.240 -12.878 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.628 35.448 -10.287 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.540 33.741 -11.954 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.993 34.589 -10.489 1.00 0.00 H new ATOM 943 N ARG A 61 -5.156 32.254 -10.467 1.00 0.00 N ATOM 944 CA ARG A 61 -4.962 31.045 -9.672 1.00 0.00 C ATOM 945 C ARG A 61 -4.015 31.298 -8.503 1.00 0.00 C ATOM 946 O ARG A 61 -4.208 30.753 -7.416 1.00 0.00 O ATOM 947 CB ARG A 61 -4.379 29.929 -10.541 1.00 0.00 C ATOM 948 CG ARG A 61 -5.365 29.555 -11.650 1.00 0.00 C ATOM 949 CD ARG A 61 -4.802 28.375 -12.441 1.00 0.00 C ATOM 950 NE ARG A 61 -3.445 28.682 -12.891 1.00 0.00 N ATOM 951 CZ ARG A 61 -2.453 27.799 -12.783 1.00 0.00 C ATOM 952 NH1 ARG A 61 -2.678 26.603 -12.312 1.00 0.00 N ATOM 953 NH2 ARG A 61 -1.249 28.128 -13.161 1.00 0.00 N ATOM 0 H ARG A 61 -4.865 32.175 -11.441 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.936 30.748 -9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.435 30.254 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.162 29.055 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.332 29.293 -11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.529 30.407 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.795 27.479 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.440 28.163 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.253 29.597 -13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.619 26.338 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.912 25.934 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.069 29.059 -13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.487 27.455 -13.080 1.00 0.00 H new ATOM 967 N CYS A 62 -2.992 32.122 -8.726 1.00 0.00 N ATOM 968 CA CYS A 62 -2.032 32.421 -7.667 1.00 0.00 C ATOM 969 C CYS A 62 -2.757 32.987 -6.448 1.00 0.00 C ATOM 970 O CYS A 62 -2.719 32.406 -5.363 1.00 0.00 O ATOM 971 CB CYS A 62 -1.004 33.441 -8.170 1.00 0.00 C ATOM 972 SG CYS A 62 -0.243 32.844 -9.700 1.00 0.00 S ATOM 0 H CYS A 62 -2.809 32.587 -9.615 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.521 31.501 -7.385 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.488 34.402 -8.345 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.238 33.603 -7.412 1.00 0.00 H new ATOM 977 N GLU A 63 -3.433 34.116 -6.649 1.00 0.00 N ATOM 978 CA GLU A 63 -4.191 34.757 -5.580 1.00 0.00 C ATOM 979 C GLU A 63 -5.311 33.846 -5.085 1.00 0.00 C ATOM 980 O GLU A 63 -5.625 33.818 -3.895 1.00 0.00 O ATOM 981 CB GLU A 63 -4.789 36.076 -6.083 1.00 0.00 C ATOM 982 CG GLU A 63 -5.502 36.794 -4.929 1.00 0.00 C ATOM 983 CD GLU A 63 -6.179 38.070 -5.430 1.00 0.00 C ATOM 984 OE1 GLU A 63 -6.758 38.035 -6.504 1.00 0.00 O ATOM 985 OE2 GLU A 63 -6.108 39.066 -4.729 1.00 0.00 O ATOM 0 H GLU A 63 -3.471 34.605 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.511 34.955 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.002 36.712 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.492 35.882 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.245 36.132 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.784 37.039 -4.146 1.00 0.00 H new ATOM 992 N GLY A 64 -5.927 33.130 -6.022 1.00 0.00 N ATOM 993 CA GLY A 64 -7.042 32.244 -5.705 1.00 0.00 C ATOM 994 C GLY A 64 -6.691 31.225 -4.626 1.00 0.00 C ATOM 995 O GLY A 64 -7.303 31.214 -3.560 1.00 0.00 O ATOM 0 H GLY A 64 -5.671 33.147 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.893 32.840 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.353 31.719 -6.608 1.00 0.00 H new ATOM 999 N LEU A 65 -5.723 30.359 -4.911 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.329 29.329 -3.954 1.00 0.00 C ATOM 1001 C LEU A 65 -4.938 29.924 -2.605 1.00 0.00 C ATOM 1002 O LEU A 65 -5.408 29.466 -1.564 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.163 28.508 -4.514 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.622 27.746 -5.762 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.471 26.882 -6.286 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.813 26.847 -5.405 1.00 0.00 C ATOM 0 H LEU A 65 -5.201 30.349 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.192 28.683 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.329 29.165 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.803 27.808 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.922 28.458 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.798 26.340 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.624 27.519 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.171 26.171 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.139 26.305 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.514 26.135 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.633 27.461 -5.033 1.00 0.00 H new ATOM 1018 N ARG A 66 -4.077 30.938 -2.622 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.640 31.567 -1.379 1.00 0.00 C ATOM 1020 C ARG A 66 -4.832 32.109 -0.593 1.00 0.00 C ATOM 1021 O ARG A 66 -5.018 31.777 0.579 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.664 32.706 -1.689 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.381 32.126 -2.294 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.382 33.255 -2.559 1.00 0.00 C ATOM 1025 NE ARG A 66 0.110 33.805 -1.298 1.00 0.00 N ATOM 1026 CZ ARG A 66 1.047 33.180 -0.586 1.00 0.00 C ATOM 1027 NH1 ARG A 66 1.547 32.048 -1.004 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.465 33.701 0.535 1.00 0.00 N ATOM 0 H ARG A 66 -3.673 31.337 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.140 30.813 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.120 33.412 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.432 33.259 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.945 31.393 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.609 31.603 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.453 32.879 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.859 34.041 -3.145 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.272 34.686 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.220 31.638 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.264 31.574 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.075 34.584 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.182 33.225 1.082 1.00 0.00 H new ATOM 1042 N MET A 67 -5.641 32.937 -1.251 1.00 0.00 N ATOM 1043 CA MET A 67 -6.821 33.517 -0.614 1.00 0.00 C ATOM 1044 C MET A 67 -7.799 32.433 -0.172 1.00 0.00 C ATOM 1045 O MET A 67 -8.314 32.463 0.947 1.00 0.00 O ATOM 1046 CB MET A 67 -7.518 34.471 -1.592 1.00 0.00 C ATOM 1047 CG MET A 67 -8.938 34.771 -1.100 1.00 0.00 C ATOM 1048 SD MET A 67 -9.690 36.043 -2.147 1.00 0.00 S ATOM 1049 CE MET A 67 -8.634 37.424 -1.644 1.00 0.00 C ATOM 0 H MET A 67 -5.502 33.220 -2.221 1.00 0.00 H new ATOM 0 HA MET A 67 -6.496 34.065 0.270 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.950 35.397 -1.678 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.554 34.025 -2.586 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.541 33.863 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.911 35.108 -0.064 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.199 38.354 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.295 37.268 -0.620 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.771 37.483 -2.307 1.00 0.00 H new ATOM 1059 N MET A 68 -8.058 31.489 -1.068 1.00 0.00 N ATOM 1060 CA MET A 68 -8.990 30.405 -0.790 1.00 0.00 C ATOM 1061 C MET A 68 -8.515 29.542 0.377 1.00 0.00 C ATOM 1062 O MET A 68 -9.315 29.151 1.222 1.00 0.00 O ATOM 1063 CB MET A 68 -9.160 29.554 -2.051 1.00 0.00 C ATOM 1064 CG MET A 68 -9.789 28.201 -1.707 1.00 0.00 C ATOM 1065 SD MET A 68 -10.402 27.418 -3.219 1.00 0.00 S ATOM 1066 CE MET A 68 -8.793 27.144 -3.999 1.00 0.00 C ATOM 0 H MET A 68 -7.634 31.453 -1.995 1.00 0.00 H new ATOM 0 HA MET A 68 -9.950 30.835 -0.504 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.788 30.081 -2.770 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.191 29.400 -2.526 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.053 27.558 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.606 28.337 -0.999 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.878 26.347 -4.737 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.466 28.060 -4.490 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.064 26.860 -3.240 1.00 0.00 H new ATOM 1076 N MET A 69 -7.219 29.246 0.421 1.00 0.00 N ATOM 1077 CA MET A 69 -6.678 28.423 1.500 1.00 0.00 C ATOM 1078 C MET A 69 -7.111 28.969 2.859 1.00 0.00 C ATOM 1079 O MET A 69 -7.731 28.261 3.654 1.00 0.00 O ATOM 1080 CB MET A 69 -5.148 28.392 1.418 1.00 0.00 C ATOM 1081 CG MET A 69 -4.597 27.378 2.428 1.00 0.00 C ATOM 1082 SD MET A 69 -4.821 25.702 1.781 1.00 0.00 S ATOM 1083 CE MET A 69 -5.112 24.879 3.367 1.00 0.00 C ATOM 0 H MET A 69 -6.533 29.558 -0.266 1.00 0.00 H new ATOM 0 HA MET A 69 -7.065 27.410 1.390 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.834 28.123 0.410 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.743 29.383 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.540 27.570 2.613 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.112 27.483 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.277 23.815 3.200 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.244 25.014 4.012 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.990 25.312 3.846 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.786 30.233 3.114 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.151 30.873 4.374 1.00 0.00 C ATOM 1095 C ARG A 70 -8.669 30.896 4.559 1.00 0.00 C ATOM 1096 O ARG A 70 -9.177 30.626 5.649 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.607 32.305 4.401 1.00 0.00 C ATOM 1098 CG ARG A 70 -6.856 32.930 5.777 1.00 0.00 C ATOM 1099 CD ARG A 70 -6.346 34.373 5.784 1.00 0.00 C ATOM 1100 NE ARG A 70 -6.469 34.946 7.121 1.00 0.00 N ATOM 1101 CZ ARG A 70 -6.082 36.193 7.378 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -5.580 36.936 6.429 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -6.206 36.677 8.584 1.00 0.00 N ATOM 0 H ARG A 70 -6.273 30.832 2.468 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.715 30.297 5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.539 32.302 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.090 32.902 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.921 32.909 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.349 32.350 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.304 34.400 5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.914 34.970 5.071 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.860 34.379 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.483 36.561 5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.285 37.891 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.599 36.100 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.910 37.633 8.783 1.00 0.00 H new ATOM 1117 N MET A 71 -9.383 31.231 3.485 1.00 0.00 N ATOM 1118 CA MET A 71 -10.839 31.304 3.523 1.00 0.00 C ATOM 1119 C MET A 71 -11.448 29.940 3.816 1.00 0.00 C ATOM 1120 O MET A 71 -12.467 29.838 4.499 1.00 0.00 O ATOM 1121 CB MET A 71 -11.367 31.833 2.186 1.00 0.00 C ATOM 1122 CG MET A 71 -12.856 32.172 2.317 1.00 0.00 C ATOM 1123 SD MET A 71 -13.514 32.652 0.698 1.00 0.00 S ATOM 1124 CE MET A 71 -12.516 34.144 0.469 1.00 0.00 C ATOM 0 H MET A 71 -8.974 31.456 2.578 1.00 0.00 H new ATOM 0 HA MET A 71 -11.127 31.985 4.324 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.807 32.719 1.888 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.221 31.086 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.403 31.312 2.703 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.993 32.983 3.032 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.125 34.922 0.007 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.155 34.492 1.437 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.666 33.918 -0.175 1.00 0.00 H new ATOM 1134 N MET A 72 -10.827 28.892 3.282 1.00 0.00 N ATOM 1135 CA MET A 72 -11.332 27.543 3.483 1.00 0.00 C ATOM 1136 C MET A 72 -11.455 27.219 4.967 1.00 0.00 C ATOM 1137 O MET A 72 -12.516 26.804 5.433 1.00 0.00 O ATOM 1138 CB MET A 72 -10.400 26.528 2.815 1.00 0.00 C ATOM 1139 CG MET A 72 -10.693 26.461 1.314 1.00 0.00 C ATOM 1140 SD MET A 72 -12.322 25.715 1.054 1.00 0.00 S ATOM 1141 CE MET A 72 -11.948 24.100 1.778 1.00 0.00 C ATOM 0 H MET A 72 -9.982 28.952 2.713 1.00 0.00 H new ATOM 0 HA MET A 72 -12.322 27.484 3.031 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.361 26.813 2.979 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.536 25.545 3.265 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.665 27.461 0.882 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.927 25.874 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.351 23.313 1.140 1.00 0.00 H new ATOM 0 HE2 MET A 72 -10.868 23.981 1.863 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.399 24.032 2.768 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.368 27.419 5.704 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.369 27.150 7.137 1.00 0.00 C ATOM 1153 C GLN A 73 -11.420 28.000 7.839 1.00 0.00 C ATOM 1154 O GLN A 73 -12.129 27.528 8.722 1.00 0.00 O ATOM 1155 CB GLN A 73 -8.986 27.446 7.728 1.00 0.00 C ATOM 1156 CG GLN A 73 -7.931 26.576 7.040 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.352 25.114 7.086 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.671 24.510 5.978 1.00 0.00 O flip ATOM 1159 NE2 GLN A 73 -8.405 24.512 8.159 1.00 0.00 N flip ATOM 0 H GLN A 73 -9.481 27.764 5.336 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.608 26.098 7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.743 28.500 7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.989 27.250 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.804 26.894 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.967 26.701 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.154 24.990 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.700 23.536 8.182 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.508 29.263 7.435 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.468 30.186 8.028 1.00 0.00 C ATOM 1170 C GLN A 74 -13.906 29.704 7.841 1.00 0.00 C ATOM 1171 O GLN A 74 -14.741 29.866 8.733 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.293 31.576 7.409 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.557 32.405 7.653 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.397 32.454 6.384 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -14.254 31.518 5.487 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -15.206 33.364 6.206 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.928 29.670 6.701 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.275 30.233 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.428 32.075 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.103 31.488 6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.137 31.969 8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.286 33.415 7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.315 34.094 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.767 33.388 5.355 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.198 29.133 6.680 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.549 28.662 6.393 1.00 0.00 C ATOM 1187 C LYS A 75 -16.020 27.673 7.455 1.00 0.00 C ATOM 1188 O LYS A 75 -17.158 27.746 7.923 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.579 27.993 5.014 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.019 27.616 4.642 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.795 28.873 4.237 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.198 28.479 3.769 1.00 0.00 C ATOM 1193 NZ LYS A 75 -19.952 29.703 3.376 1.00 0.00 N ATOM 0 H LYS A 75 -13.526 28.985 5.927 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.222 29.520 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.167 28.668 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.951 27.102 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.017 26.899 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.508 27.132 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.861 29.560 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.268 29.397 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.132 27.793 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.725 27.954 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.906 29.436 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.026 30.342 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.451 30.186 2.603 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.140 26.754 7.833 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.477 25.755 8.847 1.00 0.00 C ATOM 1209 C GLU A 76 -14.223 25.019 9.318 1.00 0.00 C ATOM 1210 O GLU A 76 -14.068 23.824 9.059 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.488 24.751 8.275 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.051 23.877 9.405 1.00 0.00 C ATOM 1213 CD GLU A 76 -17.927 24.709 10.345 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.494 25.692 9.892 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.017 24.349 11.508 1.00 0.00 O ATOM 0 H GLU A 76 -14.195 26.677 7.458 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.920 26.266 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.298 25.282 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.007 24.125 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.636 23.060 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.232 23.427 9.966 1.00 0.00 H new ATOM 1222 N MET A 77 -13.326 25.731 9.992 1.00 0.00 N ATOM 1223 CA MET A 77 -12.089 25.117 10.472 1.00 0.00 C ATOM 1224 C MET A 77 -12.385 23.904 11.354 1.00 0.00 C ATOM 1225 O MET A 77 -12.529 24.030 12.571 1.00 0.00 O ATOM 1226 CB MET A 77 -11.269 26.141 11.268 1.00 0.00 C ATOM 1227 CG MET A 77 -9.888 25.559 11.590 1.00 0.00 C ATOM 1228 SD MET A 77 -8.978 26.710 12.650 1.00 0.00 S ATOM 1229 CE MET A 77 -9.877 26.374 14.186 1.00 0.00 C ATOM 0 H MET A 77 -13.428 26.721 10.217 1.00 0.00 H new ATOM 0 HA MET A 77 -11.518 24.785 9.605 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.162 27.061 10.693 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.789 26.400 12.190 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.995 24.596 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.333 25.381 10.669 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.213 26.527 15.037 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.729 27.049 14.264 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.231 25.343 14.183 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.447 22.726 10.737 1.00 0.00 N ATOM 1240 CA GLN A 78 -12.693 21.492 11.484 1.00 0.00 C ATOM 1241 C GLN A 78 -11.601 21.314 12.534 1.00 0.00 C ATOM 1242 O GLN A 78 -10.462 21.730 12.315 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.711 20.276 10.544 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.045 20.716 9.114 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.339 19.498 8.242 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -14.343 19.532 7.409 1.00 0.00 O flip ATOM 1247 NE2 GLN A 78 -12.633 18.491 8.319 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.332 22.599 9.732 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.667 21.564 11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.741 19.779 10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.447 19.551 10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.907 21.382 9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.211 21.279 8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.849 18.467 8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.833 17.682 7.731 1.00 0.00 H new ATOM 1256 N PRO A 79 -11.901 20.710 13.656 1.00 0.00 N ATOM 1257 CA PRO A 79 -10.901 20.491 14.720 1.00 0.00 C ATOM 1258 C PRO A 79 -10.212 19.148 14.547 1.00 0.00 C ATOM 1259 O PRO A 79 -10.818 18.096 14.739 1.00 0.00 O ATOM 1260 CB PRO A 79 -11.757 20.508 15.977 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.051 19.892 15.551 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.205 20.164 14.046 1.00 0.00 C ATOM 0 HA PRO A 79 -10.099 21.229 14.728 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.292 19.940 16.783 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -11.902 21.523 16.346 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.052 18.821 15.751 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -13.884 20.321 16.108 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.438 19.252 13.496 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.011 20.871 13.847 1.00 0.00 H new ATOM 1270 N ARG A 80 -8.945 19.208 14.187 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.143 18.010 13.983 1.00 0.00 C ATOM 1272 C ARG A 80 -6.704 18.404 13.680 1.00 0.00 C ATOM 1273 O ARG A 80 -6.459 19.221 12.791 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.710 17.177 12.830 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.366 15.911 13.390 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.189 15.233 12.297 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.199 16.151 11.776 1.00 0.00 N ATOM 1278 CZ ARG A 80 -12.311 16.423 12.455 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -12.522 15.870 13.619 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -13.193 17.244 11.955 1.00 0.00 N ATOM 0 H ARG A 80 -8.442 20.081 14.028 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.170 17.408 14.892 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.441 17.761 12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.914 16.910 12.134 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.602 15.227 13.761 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.005 16.164 14.236 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.534 14.907 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.671 14.341 12.697 1.00 0.00 H new ATOM 0 HE ARG A 80 -11.048 16.594 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.834 15.227 14.011 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.375 16.081 14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.030 17.676 11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.046 17.454 12.474 1.00 0.00 H new ATOM 1294 N GLY A 81 -5.755 17.841 14.419 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.355 18.179 14.200 1.00 0.00 C ATOM 1296 C GLY A 81 -3.682 17.255 13.185 1.00 0.00 C ATOM 1297 O GLY A 81 -3.392 17.663 12.065 1.00 0.00 O ATOM 0 H GLY A 81 -5.924 17.162 15.161 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.283 19.209 13.852 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.819 18.125 15.147 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.415 16.022 13.603 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.738 15.046 12.745 1.00 0.00 C ATOM 1303 C GLU A 82 -3.515 14.709 11.468 1.00 0.00 C ATOM 1304 O GLU A 82 -2.925 14.613 10.392 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.487 13.756 13.532 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.482 14.024 14.661 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.162 14.712 15.847 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -3.360 14.539 16.012 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -1.472 15.407 16.574 1.00 0.00 O ATOM 0 H GLU A 82 -3.656 15.671 14.530 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.800 15.507 12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.424 13.384 13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.103 12.982 12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.037 13.084 14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.670 14.649 14.290 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.822 14.488 11.591 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.631 14.111 10.430 1.00 0.00 C ATOM 1318 C GLN A 83 -5.599 15.171 9.329 1.00 0.00 C ATOM 1319 O GLN A 83 -5.100 14.918 8.231 1.00 0.00 O ATOM 1320 CB GLN A 83 -7.078 13.870 10.866 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.887 13.308 9.691 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.453 11.876 9.391 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -6.814 11.618 8.284 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 -7.701 10.971 10.188 1.00 0.00 N flip ATOM 0 H GLN A 83 -5.339 14.561 12.467 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.202 13.197 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.104 13.173 11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.523 14.802 11.213 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.951 13.332 9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.743 13.932 8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.201 11.176 11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.406 10.016 9.983 1.00 0.00 H new ATOM 1333 N MET A 84 -6.139 16.350 9.623 1.00 0.00 N ATOM 1334 CA MET A 84 -6.173 17.433 8.643 1.00 0.00 C ATOM 1335 C MET A 84 -4.769 17.864 8.218 1.00 0.00 C ATOM 1336 O MET A 84 -4.574 18.301 7.085 1.00 0.00 O ATOM 1337 CB MET A 84 -6.959 18.624 9.193 1.00 0.00 C ATOM 1338 CG MET A 84 -8.463 18.325 9.108 1.00 0.00 C ATOM 1339 SD MET A 84 -9.397 19.751 9.719 1.00 0.00 S ATOM 1340 CE MET A 84 -9.100 20.849 8.311 1.00 0.00 C ATOM 0 H MET A 84 -6.556 16.580 10.525 1.00 0.00 H new ATOM 0 HA MET A 84 -6.678 17.056 7.754 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.673 18.816 10.227 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.723 19.524 8.624 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.744 18.107 8.078 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.703 17.440 9.697 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.000 21.427 8.104 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.279 21.527 8.545 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.841 20.255 7.434 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.795 17.746 9.120 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.425 18.137 8.788 1.00 0.00 C ATOM 1352 C ARG A 85 -1.990 17.465 7.490 1.00 0.00 C ATOM 1353 O ARG A 85 -1.418 18.107 6.609 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.470 17.743 9.920 1.00 0.00 C ATOM 1355 CG ARG A 85 -0.036 18.138 9.557 1.00 0.00 C ATOM 1356 CD ARG A 85 0.895 17.803 10.725 1.00 0.00 C ATOM 1357 NE ARG A 85 0.968 16.354 10.908 1.00 0.00 N ATOM 1358 CZ ARG A 85 1.030 15.804 12.120 1.00 0.00 C ATOM 1359 NH1 ARG A 85 1.042 16.556 13.189 1.00 0.00 N ATOM 1360 NH2 ARG A 85 1.082 14.506 12.241 1.00 0.00 N ATOM 0 H ARG A 85 -3.924 17.390 10.067 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.393 19.219 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.768 18.235 10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.526 16.669 10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.283 17.608 8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.014 19.203 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.890 18.204 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.531 18.275 11.638 1.00 0.00 H new ATOM 0 HE ARG A 85 0.972 15.749 10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.004 17.571 13.099 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.090 16.128 14.113 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.075 13.916 11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.130 14.082 13.167 1.00 0.00 H new ATOM 1374 N ARG A 86 -2.287 16.174 7.369 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.946 15.429 6.162 1.00 0.00 C ATOM 1376 C ARG A 86 -2.630 16.056 4.950 1.00 0.00 C ATOM 1377 O ARG A 86 -2.051 16.138 3.865 1.00 0.00 O ATOM 1378 CB ARG A 86 -2.388 13.970 6.303 1.00 0.00 C ATOM 1379 CG ARG A 86 -1.595 13.296 7.426 1.00 0.00 C ATOM 1380 CD ARG A 86 -2.019 11.829 7.546 1.00 0.00 C ATOM 1381 NE ARG A 86 -1.600 11.081 6.363 1.00 0.00 N ATOM 1382 CZ ARG A 86 -0.341 10.674 6.207 1.00 0.00 C ATOM 1383 NH1 ARG A 86 0.555 10.939 7.118 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -0.003 10.008 5.137 1.00 0.00 N ATOM 0 H ARG A 86 -2.760 15.625 8.087 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.866 15.464 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.455 13.923 6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.229 13.440 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.527 13.360 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.769 13.814 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.577 11.388 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.101 11.764 7.661 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.287 10.866 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.293 11.460 7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.517 10.625 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.702 9.801 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.960 9.695 5.014 1.00 0.00 H new ATOM 1398 N MET A 87 -3.873 16.493 5.154 1.00 0.00 N ATOM 1399 CA MET A 87 -4.657 17.111 4.089 1.00 0.00 C ATOM 1400 C MET A 87 -3.924 18.301 3.477 1.00 0.00 C ATOM 1401 O MET A 87 -4.081 18.585 2.290 1.00 0.00 O ATOM 1402 CB MET A 87 -6.007 17.585 4.630 1.00 0.00 C ATOM 1403 CG MET A 87 -6.951 17.872 3.459 1.00 0.00 C ATOM 1404 SD MET A 87 -8.357 18.856 4.036 1.00 0.00 S ATOM 1405 CE MET A 87 -8.919 17.734 5.338 1.00 0.00 C ATOM 0 H MET A 87 -4.358 16.429 6.049 1.00 0.00 H new ATOM 0 HA MET A 87 -4.810 16.357 3.317 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.438 16.824 5.281 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.875 18.483 5.233 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.418 18.407 2.673 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.303 16.936 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.008 17.740 5.378 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.569 16.724 5.124 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.519 18.061 6.298 1.00 0.00 H new ATOM 1415 N MET A 88 -3.143 19.009 4.292 1.00 0.00 N ATOM 1416 CA MET A 88 -2.418 20.177 3.804 1.00 0.00 C ATOM 1417 C MET A 88 -1.672 19.845 2.517 1.00 0.00 C ATOM 1418 O MET A 88 -1.824 20.533 1.507 1.00 0.00 O ATOM 1419 CB MET A 88 -1.422 20.636 4.866 1.00 0.00 C ATOM 1420 CG MET A 88 -2.177 21.133 6.104 1.00 0.00 C ATOM 1421 SD MET A 88 -1.044 21.219 7.514 1.00 0.00 S ATOM 1422 CE MET A 88 0.366 21.939 6.639 1.00 0.00 C ATOM 0 H MET A 88 -2.998 18.797 5.279 1.00 0.00 H new ATOM 0 HA MET A 88 -3.133 20.973 3.598 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.761 19.813 5.138 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.793 21.432 4.468 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.607 22.116 5.910 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.005 20.462 6.331 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.042 22.402 7.358 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.895 21.156 6.095 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.012 22.693 5.936 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.887 18.774 2.554 1.00 0.00 N ATOM 1433 CA ARG A 89 -0.146 18.346 1.373 1.00 0.00 C ATOM 1434 C ARG A 89 -1.118 18.019 0.243 1.00 0.00 C ATOM 1435 O ARG A 89 -0.901 18.394 -0.909 1.00 0.00 O ATOM 1436 CB ARG A 89 0.701 17.113 1.706 1.00 0.00 C ATOM 1437 CG ARG A 89 1.719 17.464 2.798 1.00 0.00 C ATOM 1438 CD ARG A 89 2.786 18.407 2.230 1.00 0.00 C ATOM 1439 NE ARG A 89 3.823 18.657 3.226 1.00 0.00 N ATOM 1440 CZ ARG A 89 3.646 19.541 4.205 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.525 20.206 4.298 1.00 0.00 N ATOM 1442 NH2 ARG A 89 4.595 19.744 5.076 1.00 0.00 N ATOM 0 H ARG A 89 -0.748 18.191 3.380 1.00 0.00 H new ATOM 0 HA ARG A 89 0.513 19.153 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.059 16.299 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.218 16.763 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.214 17.937 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.188 16.556 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.229 17.969 1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.326 19.349 1.930 1.00 0.00 H new ATOM 0 HE ARG A 89 4.702 18.143 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.781 20.049 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.394 20.882 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.471 19.226 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.462 20.421 5.827 1.00 0.00 H new ATOM 1456 N LEU A 90 -2.197 17.323 0.597 1.00 0.00 N ATOM 1457 CA LEU A 90 -3.221 16.943 -0.369 1.00 0.00 C ATOM 1458 C LEU A 90 -3.861 18.176 -0.999 1.00 0.00 C ATOM 1459 O LEU A 90 -4.164 18.187 -2.193 1.00 0.00 O ATOM 1460 CB LEU A 90 -4.293 16.100 0.332 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.296 15.562 -0.695 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -5.744 14.156 -0.286 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.518 16.484 -0.744 1.00 0.00 C ATOM 0 H LEU A 90 -2.383 17.011 1.550 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.753 16.360 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.825 15.271 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.812 16.704 1.077 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.823 15.524 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.457 13.774 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.878 13.496 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.217 14.196 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.232 16.103 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.987 16.519 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.205 17.488 -1.032 1.00 0.00 H new ATOM 1475 N ALA A 91 -4.072 19.209 -0.185 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.686 20.440 -0.669 1.00 0.00 C ATOM 1477 C ALA A 91 -3.925 20.983 -1.873 1.00 0.00 C ATOM 1478 O ALA A 91 -4.501 21.169 -2.938 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.705 21.489 0.445 1.00 0.00 C ATOM 0 H ALA A 91 -3.828 19.217 0.805 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.709 20.217 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.165 22.405 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.279 21.111 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.684 21.699 0.764 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.629 21.225 -1.691 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.784 21.737 -2.771 1.00 0.00 C ATOM 1487 C GLU A 92 -1.757 20.771 -3.956 1.00 0.00 C ATOM 1488 O GLU A 92 -1.608 21.190 -5.102 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.359 21.955 -2.254 1.00 0.00 C ATOM 1490 CG GLU A 92 0.483 22.653 -3.330 1.00 0.00 C ATOM 1491 CD GLU A 92 1.572 21.713 -3.842 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.229 20.643 -4.320 1.00 0.00 O ATOM 1493 OE2 GLU A 92 2.733 22.077 -3.754 1.00 0.00 O ATOM 0 H GLU A 92 -2.140 21.076 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.203 22.684 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.380 22.559 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.092 20.999 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.156 22.965 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.936 23.555 -2.919 1.00 0.00 H new ATOM 1500 N ASN A 93 -1.879 19.478 -3.668 1.00 0.00 N ATOM 1501 CA ASN A 93 -1.845 18.460 -4.718 1.00 0.00 C ATOM 1502 C ASN A 93 -3.089 18.527 -5.602 1.00 0.00 C ATOM 1503 O ASN A 93 -3.018 18.259 -6.801 1.00 0.00 O ATOM 1504 CB ASN A 93 -1.740 17.066 -4.089 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.414 16.918 -3.343 1.00 0.00 C ATOM 1506 OD1 ASN A 93 0.439 17.908 -3.328 1.00 0.00 O flip ATOM 1507 ND2 ASN A 93 -0.150 15.869 -2.755 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.001 19.111 -2.724 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.972 18.653 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.571 16.906 -3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.816 16.303 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.816 15.096 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.734 15.773 -2.256 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.227 18.881 -5.006 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.478 18.970 -5.758 1.00 0.00 C ATOM 1516 C ILE A 94 -5.309 19.853 -7.003 1.00 0.00 C ATOM 1517 O ILE A 94 -5.563 19.404 -8.119 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.595 19.517 -4.852 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.119 18.384 -3.961 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -7.747 20.067 -5.702 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.053 18.956 -2.891 1.00 0.00 C ATOM 0 H ILE A 94 -4.309 19.109 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.753 17.970 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.193 20.322 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.651 17.649 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.285 17.865 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.530 20.451 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.378 20.872 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.152 19.270 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.423 18.147 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.508 19.674 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.895 19.455 -3.372 1.00 0.00 H new ATOM 1533 N PRO A 95 -4.889 21.083 -6.836 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.683 22.031 -7.975 1.00 0.00 C ATOM 1535 C PRO A 95 -3.492 21.656 -8.860 1.00 0.00 C ATOM 1536 O PRO A 95 -3.446 22.030 -10.030 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.434 23.377 -7.285 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.915 23.037 -5.932 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.565 21.711 -5.549 1.00 0.00 C ATOM 0 HA PRO A 95 -5.539 22.032 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.715 23.977 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.352 23.960 -7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.829 22.950 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.165 23.816 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.888 21.090 -4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.459 21.866 -4.945 1.00 0.00 H new ATOM 1547 N SER A 96 -2.540 20.911 -8.298 1.00 0.00 N ATOM 1548 CA SER A 96 -1.358 20.487 -9.047 1.00 0.00 C ATOM 1549 C SER A 96 -1.793 19.654 -10.224 1.00 0.00 C ATOM 1550 O SER A 96 -1.233 19.723 -11.320 1.00 0.00 O ATOM 1551 CB SER A 96 -0.420 19.671 -8.154 1.00 0.00 C ATOM 1552 OG SER A 96 -0.051 20.447 -7.024 1.00 0.00 O ATOM 0 H SER A 96 -2.564 20.590 -7.330 1.00 0.00 H new ATOM 0 HA SER A 96 -0.821 21.369 -9.395 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.913 18.753 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.468 19.378 -8.713 1.00 0.00 H new ATOM 0 HG SER A 96 -0.814 20.518 -6.413 1.00 0.00 H new ATOM 1558 N ARG A 97 -2.810 18.865 -9.955 1.00 0.00 N ATOM 1559 CA ARG A 97 -3.390 17.979 -10.930 1.00 0.00 C ATOM 1560 C ARG A 97 -3.827 18.720 -12.194 1.00 0.00 C ATOM 1561 O ARG A 97 -3.627 18.225 -13.304 1.00 0.00 O ATOM 1562 CB ARG A 97 -4.581 17.293 -10.277 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.085 16.237 -9.285 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.272 15.439 -8.742 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.226 16.330 -8.091 1.00 0.00 N ATOM 1566 CZ ARG A 97 -7.462 15.930 -7.800 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -7.849 14.720 -8.103 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -8.285 16.747 -7.212 1.00 0.00 N ATOM 0 H ARG A 97 -3.260 18.823 -9.041 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.643 17.250 -11.244 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.200 18.028 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.207 16.826 -11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.379 15.567 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.552 16.717 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.761 14.903 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.921 14.690 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.940 17.280 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.204 14.079 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.797 14.416 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.983 17.692 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.233 16.443 -6.988 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.408 19.909 -12.030 1.00 0.00 N ATOM 1583 CA CYS A 98 -4.844 20.696 -13.175 1.00 0.00 C ATOM 1584 C CYS A 98 -3.868 21.818 -13.436 1.00 0.00 C ATOM 1585 O CYS A 98 -3.999 22.536 -14.428 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.228 21.298 -12.945 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.195 20.225 -11.851 1.00 0.00 S ATOM 0 H CYS A 98 -4.585 20.342 -11.123 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.888 20.025 -14.033 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.134 22.290 -12.504 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.744 21.420 -13.898 1.00 0.00 H new ATOM 1592 N ASN A 99 -2.909 21.997 -12.530 1.00 0.00 N ATOM 1593 CA ASN A 99 -1.965 23.077 -12.700 1.00 0.00 C ATOM 1594 C ASN A 99 -1.293 22.997 -14.036 1.00 0.00 C ATOM 1595 O ASN A 99 -1.224 21.949 -14.680 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.917 23.162 -11.615 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.505 23.822 -10.370 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -2.532 24.620 -10.494 1.00 0.00 O flip ATOM 1599 ND2 ASN A 99 -1.016 23.611 -9.260 1.00 0.00 N flip ATOM 0 H ASN A 99 -2.774 21.423 -11.698 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.562 23.986 -12.631 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.554 22.164 -11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.060 23.735 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.214 22.988 -9.166 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.413 24.060 -8.434 1.00 0.00 H new ATOM 1606 N LEU A 100 -0.897 24.162 -14.469 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.325 24.336 -15.775 1.00 0.00 C ATOM 1608 C LEU A 100 0.739 25.431 -15.755 1.00 0.00 C ATOM 1609 O LEU A 100 0.589 26.436 -15.061 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.483 24.713 -16.710 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.745 25.033 -15.860 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.760 26.514 -15.503 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.004 24.674 -16.636 1.00 0.00 C ATOM 0 H LEU A 100 -0.962 25.021 -13.923 1.00 0.00 H new ATOM 0 HA LEU A 100 0.168 23.425 -16.114 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.210 25.577 -17.316 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.692 23.894 -17.398 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.717 24.442 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.645 26.736 -14.907 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.866 26.759 -14.929 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.779 27.108 -16.417 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.882 24.902 -16.031 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.039 25.252 -17.559 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.994 23.610 -16.874 1.00 0.00 H new ATOM 1625 N SER A 101 1.816 25.207 -16.511 1.00 0.00 N ATOM 1626 CA SER A 101 2.936 26.148 -16.588 1.00 0.00 C ATOM 1627 C SER A 101 2.462 27.595 -16.465 1.00 0.00 C ATOM 1628 O SER A 101 2.031 28.206 -17.444 1.00 0.00 O ATOM 1629 CB SER A 101 3.671 25.964 -17.917 1.00 0.00 C ATOM 1630 OG SER A 101 4.790 26.840 -17.961 1.00 0.00 O ATOM 0 H SER A 101 1.936 24.372 -17.085 1.00 0.00 H new ATOM 0 HA SER A 101 3.608 25.939 -15.756 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.000 24.930 -18.024 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.999 26.172 -18.749 1.00 0.00 H new ATOM 0 HG SER A 101 5.264 26.723 -18.811 1.00 0.00 H new ATOM 1636 N PRO A 102 2.537 28.144 -15.279 1.00 0.00 N ATOM 1637 CA PRO A 102 2.120 29.544 -14.993 1.00 0.00 C ATOM 1638 C PRO A 102 3.211 30.538 -15.384 1.00 0.00 C ATOM 1639 O PRO A 102 4.395 30.285 -15.155 1.00 0.00 O ATOM 1640 CB PRO A 102 1.877 29.546 -13.471 1.00 0.00 C ATOM 1641 CG PRO A 102 2.153 28.145 -12.999 1.00 0.00 C ATOM 1642 CD PRO A 102 3.023 27.499 -14.063 1.00 0.00 C ATOM 0 HA PRO A 102 1.240 29.847 -15.560 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.533 30.260 -12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.853 29.839 -13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.660 28.153 -12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.225 27.590 -12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.083 27.689 -13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.894 26.417 -14.095 1.00 0.00 H new ATOM 1650 N MET A 103 2.816 31.659 -15.982 1.00 0.00 N ATOM 1651 CA MET A 103 3.792 32.659 -16.405 1.00 0.00 C ATOM 1652 C MET A 103 4.307 33.466 -15.216 1.00 0.00 C ATOM 1653 O MET A 103 5.506 33.467 -14.936 1.00 0.00 O ATOM 1654 CB MET A 103 3.156 33.606 -17.428 1.00 0.00 C ATOM 1655 CG MET A 103 2.745 32.820 -18.678 1.00 0.00 C ATOM 1656 SD MET A 103 4.188 31.967 -19.367 1.00 0.00 S ATOM 1657 CE MET A 103 5.149 33.439 -19.801 1.00 0.00 C ATOM 0 H MET A 103 1.844 31.896 -16.182 1.00 0.00 H new ATOM 0 HA MET A 103 4.635 32.137 -16.858 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.285 34.095 -16.992 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.861 34.392 -17.697 1.00 0.00 H new ATOM 0 HG2 MET A 103 1.970 32.097 -18.426 1.00 0.00 H new ATOM 0 HG3 MET A 103 2.321 33.496 -19.421 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.852 33.193 -20.597 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.476 34.225 -20.142 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.698 33.786 -18.926 1.00 0.00 H new ATOM 1667 N ARG A 104 3.400 34.149 -14.516 1.00 0.00 N ATOM 1668 CA ARG A 104 3.791 34.951 -13.358 1.00 0.00 C ATOM 1669 C ARG A 104 2.657 35.065 -12.342 1.00 0.00 C ATOM 1670 O ARG A 104 1.495 35.236 -12.716 1.00 0.00 O ATOM 1671 CB ARG A 104 4.199 36.357 -13.817 1.00 0.00 C ATOM 1672 CG ARG A 104 5.729 36.473 -13.868 1.00 0.00 C ATOM 1673 CD ARG A 104 6.316 36.351 -12.455 1.00 0.00 C ATOM 1674 NE ARG A 104 5.412 36.937 -11.466 1.00 0.00 N ATOM 1675 CZ ARG A 104 5.188 38.249 -11.419 1.00 0.00 C ATOM 1676 NH1 ARG A 104 5.782 39.049 -12.263 1.00 0.00 N ATOM 1677 NH2 ARG A 104 4.373 38.737 -10.526 1.00 0.00 N ATOM 0 H ARG A 104 2.402 34.163 -14.727 1.00 0.00 H new ATOM 0 HA ARG A 104 4.632 34.451 -12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.778 36.563 -14.801 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.793 37.103 -13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.139 35.693 -14.509 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.014 37.429 -14.307 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.491 35.302 -12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.283 36.853 -12.413 1.00 0.00 H new ATOM 0 HE ARG A 104 4.942 36.327 -10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.421 38.670 -12.962 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.607 40.053 -12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.908 38.114 -9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.200 39.742 -10.488 1.00 0.00 H new ATOM 1691 N CYS A 105 3.008 35.007 -11.058 1.00 0.00 N ATOM 1692 CA CYS A 105 2.023 35.145 -9.986 1.00 0.00 C ATOM 1693 C CYS A 105 2.029 36.588 -9.469 1.00 0.00 C ATOM 1694 O CYS A 105 3.000 37.017 -8.844 1.00 0.00 O ATOM 1695 CB CYS A 105 2.345 34.185 -8.838 1.00 0.00 C ATOM 1696 SG CYS A 105 1.693 32.534 -9.215 1.00 0.00 S ATOM 0 H CYS A 105 3.965 34.866 -10.735 1.00 0.00 H new ATOM 0 HA CYS A 105 1.036 34.901 -10.380 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.423 34.134 -8.686 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.909 34.555 -7.910 1.00 0.00 H new ATOM 1701 N PRO A 106 0.984 37.344 -9.719 1.00 0.00 N ATOM 1702 CA PRO A 106 0.888 38.770 -9.270 1.00 0.00 C ATOM 1703 C PRO A 106 0.925 38.931 -7.757 1.00 0.00 C ATOM 1704 O PRO A 106 0.742 40.033 -7.241 1.00 0.00 O ATOM 1705 CB PRO A 106 -0.449 39.268 -9.822 1.00 0.00 C ATOM 1706 CG PRO A 106 -0.889 38.256 -10.830 1.00 0.00 C ATOM 1707 CD PRO A 106 -0.217 36.933 -10.460 1.00 0.00 C ATOM 0 HA PRO A 106 1.745 39.338 -9.634 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.186 39.369 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.339 40.251 -10.280 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.974 38.152 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.604 38.565 -11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.870 36.310 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.039 36.353 -11.347 1.00 0.00 H new ATOM 1715 N MET A 107 1.156 37.842 -7.052 1.00 0.00 N ATOM 1716 CA MET A 107 1.204 37.892 -5.604 1.00 0.00 C ATOM 1717 C MET A 107 2.512 38.500 -5.154 1.00 0.00 C ATOM 1718 O MET A 107 3.530 37.818 -5.022 1.00 0.00 O ATOM 1719 CB MET A 107 1.108 36.492 -5.057 1.00 0.00 C ATOM 1720 CG MET A 107 -0.350 36.009 -5.066 1.00 0.00 C ATOM 1721 SD MET A 107 -1.447 37.306 -5.700 1.00 0.00 S ATOM 1722 CE MET A 107 -1.511 36.745 -7.418 1.00 0.00 C ATOM 0 H MET A 107 1.312 36.918 -7.454 1.00 0.00 H new ATOM 0 HA MET A 107 0.375 38.498 -5.239 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.724 35.819 -5.654 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.500 36.465 -4.040 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.439 35.115 -5.684 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.653 35.730 -4.057 1.00 0.00 H new ATOM 0 HE1 MET A 107 -1.619 37.606 -8.078 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.591 36.214 -7.662 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.362 36.077 -7.551 1.00 0.00 H new