USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 781 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-5.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -164:sc= -0.484 (180deg=-1.93) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0722) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 135:sc= -2.96 (180deg=-7.84!) USER MOD Single : A 39 TYR OH : rot -157:sc= -0.0667 USER MOD Single : A 52 ASN : amide:sc= -6.37! C(o=-6.4!,f=-9.2!) USER MOD Single : A 55 MET CE :methyl -177:sc= -0.297 (180deg=-0.31) USER MOD Single : A 60 GLN : amide:sc= -3.84! C(o=-3.8!,f=-5.3!) USER MOD Single : A 65 ASN : amide:sc= -2.47! C(o=-2.5!,f=-5.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -43:sc= 0.737 USER MOD Single : A 72 MET CE :methyl -161:sc= -3.93! (180deg=-4.96!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= -0.441 (180deg=-0.506) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.242 -15.881 -25.117 1.00 0.00 N ATOM 2 CA GLY A 1 16.800 -15.750 -25.014 1.00 0.00 C ATOM 3 C GLY A 1 16.151 -16.962 -24.377 1.00 0.00 C ATOM 4 O GLY A 1 15.956 -17.986 -25.032 1.00 0.00 O ATOM 0 H1 GLY A 1 18.638 -15.027 -25.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.649 -15.999 -24.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.474 -16.711 -25.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.560 -14.863 -24.428 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.380 -15.598 -26.008 1.00 0.00 H new ATOM 8 N SER A 2 15.818 -16.849 -23.095 1.00 0.00 N ATOM 9 CA SER A 2 15.192 -17.947 -22.368 1.00 0.00 C ATOM 10 C SER A 2 13.735 -17.627 -22.050 1.00 0.00 C ATOM 11 O SER A 2 13.292 -16.488 -22.194 1.00 0.00 O ATOM 12 CB SER A 2 15.958 -18.231 -21.074 1.00 0.00 C ATOM 13 OG SER A 2 17.109 -19.019 -21.326 1.00 0.00 O ATOM 0 H SER A 2 15.971 -16.008 -22.539 1.00 0.00 H new ATOM 0 HA SER A 2 15.221 -18.834 -23.002 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.252 -17.291 -20.608 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.307 -18.747 -20.368 1.00 0.00 H new ATOM 0 HG SER A 2 17.582 -19.185 -20.484 1.00 0.00 H new ATOM 19 N SER A 3 12.994 -18.642 -21.615 1.00 0.00 N ATOM 20 CA SER A 3 11.585 -18.471 -21.280 1.00 0.00 C ATOM 21 C SER A 3 11.341 -17.108 -20.639 1.00 0.00 C ATOM 22 O SER A 3 10.367 -16.426 -20.956 1.00 0.00 O ATOM 23 CB SER A 3 11.126 -19.582 -20.334 1.00 0.00 C ATOM 24 OG SER A 3 9.846 -19.298 -19.796 1.00 0.00 O ATOM 0 H SER A 3 13.346 -19.591 -21.486 1.00 0.00 H new ATOM 0 HA SER A 3 11.008 -18.528 -22.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.096 -20.531 -20.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.847 -19.696 -19.525 1.00 0.00 H new ATOM 0 HG SER A 3 9.575 -20.024 -19.196 1.00 0.00 H new ATOM 30 N GLY A 4 12.233 -16.718 -19.734 1.00 0.00 N ATOM 31 CA GLY A 4 12.097 -15.439 -19.062 1.00 0.00 C ATOM 32 C GLY A 4 11.581 -15.581 -17.644 1.00 0.00 C ATOM 33 O GLY A 4 10.411 -15.314 -17.372 1.00 0.00 O ATOM 0 H GLY A 4 13.047 -17.265 -19.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.064 -14.937 -19.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.418 -14.804 -19.631 1.00 0.00 H new ATOM 37 N SER A 5 12.456 -16.006 -16.737 1.00 0.00 N ATOM 38 CA SER A 5 12.081 -16.189 -15.340 1.00 0.00 C ATOM 39 C SER A 5 11.375 -14.948 -14.800 1.00 0.00 C ATOM 40 O SER A 5 10.270 -15.034 -14.263 1.00 0.00 O ATOM 41 CB SER A 5 13.318 -16.494 -14.493 1.00 0.00 C ATOM 42 OG SER A 5 12.959 -17.125 -13.276 1.00 0.00 O ATOM 0 H SER A 5 13.429 -16.230 -16.945 1.00 0.00 H new ATOM 0 HA SER A 5 11.393 -17.032 -15.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.997 -17.137 -15.053 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.856 -15.569 -14.282 1.00 0.00 H new ATOM 0 HG SER A 5 13.767 -17.311 -12.753 1.00 0.00 H new ATOM 48 N SER A 6 12.021 -13.796 -14.947 1.00 0.00 N ATOM 49 CA SER A 6 11.458 -12.538 -14.471 1.00 0.00 C ATOM 50 C SER A 6 10.267 -12.118 -15.327 1.00 0.00 C ATOM 51 O SER A 6 10.381 -11.980 -16.544 1.00 0.00 O ATOM 52 CB SER A 6 12.524 -11.440 -14.486 1.00 0.00 C ATOM 53 OG SER A 6 13.620 -11.782 -13.655 1.00 0.00 O ATOM 0 H SER A 6 12.935 -13.708 -15.392 1.00 0.00 H new ATOM 0 HA SER A 6 11.114 -12.686 -13.448 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.873 -11.281 -15.506 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.087 -10.500 -14.149 1.00 0.00 H new ATOM 0 HG SER A 6 14.288 -11.065 -13.683 1.00 0.00 H new ATOM 59 N GLY A 7 9.123 -11.915 -14.680 1.00 0.00 N ATOM 60 CA GLY A 7 7.927 -11.513 -15.396 1.00 0.00 C ATOM 61 C GLY A 7 7.919 -10.034 -15.727 1.00 0.00 C ATOM 62 O GLY A 7 8.741 -9.563 -16.512 1.00 0.00 O ATOM 0 H GLY A 7 9.004 -12.022 -13.673 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.848 -12.089 -16.318 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.050 -11.752 -14.795 1.00 0.00 H new ATOM 66 N GLN A 8 6.987 -9.300 -15.127 1.00 0.00 N ATOM 67 CA GLN A 8 6.874 -7.866 -15.365 1.00 0.00 C ATOM 68 C GLN A 8 6.926 -7.091 -14.052 1.00 0.00 C ATOM 69 O GLN A 8 6.267 -6.062 -13.901 1.00 0.00 O ATOM 70 CB GLN A 8 5.574 -7.551 -16.106 1.00 0.00 C ATOM 71 CG GLN A 8 5.669 -7.742 -17.611 1.00 0.00 C ATOM 72 CD GLN A 8 4.417 -7.292 -18.337 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.141 -6.096 -18.440 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.651 -8.250 -18.847 1.00 0.00 N ATOM 0 H GLN A 8 6.300 -9.675 -14.473 1.00 0.00 H new ATOM 0 HA GLN A 8 7.718 -7.558 -15.982 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.780 -8.189 -15.717 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.287 -6.521 -15.896 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.525 -7.184 -17.991 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.852 -8.794 -17.829 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.918 -9.228 -18.738 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.796 -8.007 -19.347 1.00 0.00 H new ATOM 83 N ASP A 9 7.713 -7.592 -13.106 1.00 0.00 N ATOM 84 CA ASP A 9 7.851 -6.946 -11.806 1.00 0.00 C ATOM 85 C ASP A 9 9.239 -6.333 -11.649 1.00 0.00 C ATOM 86 O ASP A 9 10.228 -7.046 -11.472 1.00 0.00 O ATOM 87 CB ASP A 9 7.594 -7.952 -10.683 1.00 0.00 C ATOM 88 CG ASP A 9 8.320 -9.264 -10.904 1.00 0.00 C ATOM 89 OD1 ASP A 9 9.521 -9.342 -10.571 1.00 0.00 O ATOM 90 OD2 ASP A 9 7.686 -10.214 -11.410 1.00 0.00 O ATOM 0 H ASP A 9 8.265 -8.443 -13.215 1.00 0.00 H new ATOM 0 HA ASP A 9 7.112 -6.148 -11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.910 -7.521 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.523 -8.141 -10.606 1.00 0.00 H new ATOM 95 N PHE A 10 9.307 -5.007 -11.716 1.00 0.00 N ATOM 96 CA PHE A 10 10.574 -4.299 -11.583 1.00 0.00 C ATOM 97 C PHE A 10 11.284 -4.691 -10.290 1.00 0.00 C ATOM 98 O PHE A 10 12.421 -5.162 -10.312 1.00 0.00 O ATOM 99 CB PHE A 10 10.342 -2.786 -11.612 1.00 0.00 C ATOM 100 CG PHE A 10 9.223 -2.369 -12.523 1.00 0.00 C ATOM 101 CD1 PHE A 10 9.346 -2.498 -13.897 1.00 0.00 C ATOM 102 CD2 PHE A 10 8.049 -1.848 -12.005 1.00 0.00 C ATOM 103 CE1 PHE A 10 8.318 -2.114 -14.738 1.00 0.00 C ATOM 104 CE2 PHE A 10 7.017 -1.463 -12.841 1.00 0.00 C ATOM 105 CZ PHE A 10 7.152 -1.597 -14.209 1.00 0.00 C ATOM 0 H PHE A 10 8.499 -4.402 -11.862 1.00 0.00 H new ATOM 0 HA PHE A 10 11.208 -4.579 -12.424 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.125 -2.440 -10.601 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.261 -2.292 -11.928 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.255 -2.903 -14.316 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.938 -1.741 -10.936 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.427 -2.218 -15.807 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.106 -1.058 -12.425 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.347 -1.298 -14.864 1.00 0.00 H new ATOM 115 N ASP A 11 10.605 -4.491 -9.166 1.00 0.00 N ATOM 116 CA ASP A 11 11.168 -4.824 -7.863 1.00 0.00 C ATOM 117 C ASP A 11 10.097 -4.773 -6.778 1.00 0.00 C ATOM 118 O ASP A 11 9.486 -3.731 -6.544 1.00 0.00 O ATOM 119 CB ASP A 11 12.308 -3.865 -7.517 1.00 0.00 C ATOM 120 CG ASP A 11 13.187 -4.389 -6.398 1.00 0.00 C ATOM 121 OD1 ASP A 11 12.636 -4.813 -5.360 1.00 0.00 O ATOM 122 OD2 ASP A 11 14.424 -4.377 -6.561 1.00 0.00 O ATOM 0 H ASP A 11 9.664 -4.100 -9.131 1.00 0.00 H new ATOM 0 HA ASP A 11 11.560 -5.840 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.918 -3.695 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.892 -2.900 -7.227 1.00 0.00 H new ATOM 127 N TYR A 12 9.874 -5.906 -6.121 1.00 0.00 N ATOM 128 CA TYR A 12 8.874 -5.991 -5.063 1.00 0.00 C ATOM 129 C TYR A 12 9.405 -5.397 -3.762 1.00 0.00 C ATOM 130 O TYR A 12 9.886 -6.118 -2.887 1.00 0.00 O ATOM 131 CB TYR A 12 8.460 -7.447 -4.841 1.00 0.00 C ATOM 132 CG TYR A 12 7.348 -7.907 -5.757 1.00 0.00 C ATOM 133 CD1 TYR A 12 6.228 -7.114 -5.974 1.00 0.00 C ATOM 134 CD2 TYR A 12 7.418 -9.134 -6.405 1.00 0.00 C ATOM 135 CE1 TYR A 12 5.209 -7.531 -6.809 1.00 0.00 C ATOM 136 CE2 TYR A 12 6.406 -9.558 -7.243 1.00 0.00 C ATOM 137 CZ TYR A 12 5.303 -8.753 -7.442 1.00 0.00 C ATOM 138 OH TYR A 12 4.291 -9.172 -8.276 1.00 0.00 O ATOM 0 H TYR A 12 10.372 -6.778 -6.302 1.00 0.00 H new ATOM 0 HA TYR A 12 8.002 -5.415 -5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.329 -8.089 -4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.142 -7.572 -3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.153 -6.156 -5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.279 -9.767 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.344 -6.904 -6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.477 -10.514 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 12 4.513 -10.053 -8.643 1.00 0.00 H new ATOM 148 N PHE A 13 9.313 -4.077 -3.641 1.00 0.00 N ATOM 149 CA PHE A 13 9.784 -3.384 -2.448 1.00 0.00 C ATOM 150 C PHE A 13 8.611 -2.883 -1.611 1.00 0.00 C ATOM 151 O PHE A 13 7.494 -2.737 -2.111 1.00 0.00 O ATOM 152 CB PHE A 13 10.687 -2.211 -2.836 1.00 0.00 C ATOM 153 CG PHE A 13 9.930 -1.006 -3.315 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.490 -0.923 -4.626 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.658 0.046 -2.454 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.792 0.185 -5.070 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.961 1.156 -2.892 1.00 0.00 C ATOM 158 CZ PHE A 13 8.529 1.226 -4.202 1.00 0.00 C ATOM 0 H PHE A 13 8.916 -3.466 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 13 10.358 -4.092 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.295 -1.930 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.373 -2.534 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.695 -1.734 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.995 -0.003 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.453 0.236 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.754 1.968 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.986 2.094 -4.547 1.00 0.00 H new ATOM 168 N THR A 14 8.871 -2.621 -0.334 1.00 0.00 N ATOM 169 CA THR A 14 7.837 -2.138 0.573 1.00 0.00 C ATOM 170 C THR A 14 7.924 -0.627 0.750 1.00 0.00 C ATOM 171 O THR A 14 8.968 -0.022 0.508 1.00 0.00 O ATOM 172 CB THR A 14 7.942 -2.812 1.954 1.00 0.00 C ATOM 173 OG1 THR A 14 9.263 -2.646 2.482 1.00 0.00 O ATOM 174 CG2 THR A 14 7.612 -4.294 1.860 1.00 0.00 C ATOM 0 H THR A 14 9.789 -2.735 0.096 1.00 0.00 H new ATOM 0 HA THR A 14 6.877 -2.394 0.124 1.00 0.00 H new ATOM 0 HB THR A 14 7.222 -2.337 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.320 -3.076 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.693 -4.748 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.596 -4.417 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.311 -4.780 1.179 1.00 0.00 H new ATOM 182 N VAL A 15 6.819 -0.021 1.175 1.00 0.00 N ATOM 183 CA VAL A 15 6.771 1.421 1.386 1.00 0.00 C ATOM 184 C VAL A 15 6.467 1.753 2.842 1.00 0.00 C ATOM 185 O VAL A 15 5.672 1.073 3.492 1.00 0.00 O ATOM 186 CB VAL A 15 5.711 2.085 0.487 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.652 3.582 0.747 1.00 0.00 C ATOM 188 CG2 VAL A 15 6.002 1.801 -0.979 1.00 0.00 C ATOM 0 H VAL A 15 5.946 -0.507 1.380 1.00 0.00 H new ATOM 0 HA VAL A 15 7.754 1.812 1.125 1.00 0.00 H new ATOM 0 HB VAL A 15 4.737 1.660 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.898 4.034 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.392 3.760 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.624 4.027 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.243 2.278 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.984 2.197 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.988 0.725 -1.151 1.00 0.00 H new ATOM 198 N ASP A 16 7.104 2.803 3.349 1.00 0.00 N ATOM 199 CA ASP A 16 6.900 3.227 4.730 1.00 0.00 C ATOM 200 C ASP A 16 6.737 4.741 4.814 1.00 0.00 C ATOM 201 O ASP A 16 7.637 5.494 4.440 1.00 0.00 O ATOM 202 CB ASP A 16 8.074 2.778 5.602 1.00 0.00 C ATOM 203 CG ASP A 16 7.858 3.091 7.069 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.630 4.275 7.396 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.915 2.152 7.890 1.00 0.00 O ATOM 0 H ASP A 16 7.766 3.376 2.825 1.00 0.00 H new ATOM 0 HA ASP A 16 5.986 2.760 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.224 1.705 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.986 3.268 5.259 1.00 0.00 H new ATOM 210 N MET A 17 5.584 5.181 5.307 1.00 0.00 N ATOM 211 CA MET A 17 5.304 6.606 5.440 1.00 0.00 C ATOM 212 C MET A 17 4.298 6.859 6.559 1.00 0.00 C ATOM 213 O MET A 17 3.706 5.924 7.097 1.00 0.00 O ATOM 214 CB MET A 17 4.770 7.168 4.122 1.00 0.00 C ATOM 215 CG MET A 17 5.199 6.369 2.902 1.00 0.00 C ATOM 216 SD MET A 17 4.593 7.077 1.359 1.00 0.00 S ATOM 217 CE MET A 17 2.857 7.291 1.743 1.00 0.00 C ATOM 0 H MET A 17 4.829 4.572 5.621 1.00 0.00 H new ATOM 0 HA MET A 17 6.236 7.113 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.681 7.196 4.163 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.111 8.197 4.011 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.287 6.318 2.871 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.834 5.346 2.996 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.297 7.447 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.484 6.400 2.248 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.732 8.157 2.394 1.00 0.00 H new ATOM 227 N GLU A 18 4.112 8.130 6.904 1.00 0.00 N ATOM 228 CA GLU A 18 3.178 8.504 7.960 1.00 0.00 C ATOM 229 C GLU A 18 2.022 9.326 7.398 1.00 0.00 C ATOM 230 O GLU A 18 2.016 9.687 6.221 1.00 0.00 O ATOM 231 CB GLU A 18 3.900 9.299 9.051 1.00 0.00 C ATOM 232 CG GLU A 18 4.420 8.436 10.189 1.00 0.00 C ATOM 233 CD GLU A 18 5.664 9.013 10.836 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.619 9.340 10.101 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.682 9.136 12.079 1.00 0.00 O ATOM 0 H GLU A 18 4.595 8.916 6.469 1.00 0.00 H new ATOM 0 HA GLU A 18 2.774 7.589 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.735 9.838 8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.218 10.047 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.640 8.326 10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.641 7.438 9.811 1.00 0.00 H new ATOM 242 N LYS A 19 1.043 9.618 8.248 1.00 0.00 N ATOM 243 CA LYS A 19 -0.119 10.398 7.839 1.00 0.00 C ATOM 244 C LYS A 19 0.002 11.843 8.310 1.00 0.00 C ATOM 245 O LYS A 19 0.408 12.105 9.442 1.00 0.00 O ATOM 246 CB LYS A 19 -1.400 9.773 8.397 1.00 0.00 C ATOM 247 CG LYS A 19 -2.615 9.985 7.511 1.00 0.00 C ATOM 248 CD LYS A 19 -3.755 9.057 7.898 1.00 0.00 C ATOM 249 CE LYS A 19 -4.616 9.659 8.997 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.752 10.447 8.443 1.00 0.00 N ATOM 0 H LYS A 19 1.031 9.326 9.225 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.164 10.393 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.243 8.703 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.601 10.194 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.946 11.021 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.342 9.813 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.371 8.852 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.350 8.102 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.003 8.862 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.002 10.301 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.381 10.741 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.385 11.290 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.284 9.861 7.768 1.00 0.00 H new ATOM 264 N GLY A 20 -0.354 12.778 7.435 1.00 0.00 N ATOM 265 CA GLY A 20 -0.280 14.186 7.781 1.00 0.00 C ATOM 266 C GLY A 20 -1.602 14.730 8.285 1.00 0.00 C ATOM 267 O GLY A 20 -2.126 14.265 9.297 1.00 0.00 O ATOM 0 H GLY A 20 -0.693 12.586 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.483 14.329 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.034 14.756 6.906 1.00 0.00 H new ATOM 271 N ALA A 21 -2.141 15.718 7.579 1.00 0.00 N ATOM 272 CA ALA A 21 -3.410 16.326 7.961 1.00 0.00 C ATOM 273 C ALA A 21 -4.574 15.678 7.219 1.00 0.00 C ATOM 274 O ALA A 21 -5.510 15.169 7.835 1.00 0.00 O ATOM 275 CB ALA A 21 -3.379 17.823 7.695 1.00 0.00 C ATOM 0 H ALA A 21 -1.719 16.115 6.739 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.557 16.161 9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.333 18.264 7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.577 18.279 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.205 18.000 6.634 1.00 0.00 H new ATOM 281 N LYS A 22 -4.509 15.701 5.892 1.00 0.00 N ATOM 282 CA LYS A 22 -5.557 15.116 5.064 1.00 0.00 C ATOM 283 C LYS A 22 -5.201 13.687 4.665 1.00 0.00 C ATOM 284 O LYS A 22 -5.593 13.214 3.599 1.00 0.00 O ATOM 285 CB LYS A 22 -5.781 15.966 3.812 1.00 0.00 C ATOM 286 CG LYS A 22 -6.657 17.183 4.052 1.00 0.00 C ATOM 287 CD LYS A 22 -7.165 17.771 2.746 1.00 0.00 C ATOM 288 CE LYS A 22 -6.044 18.431 1.958 1.00 0.00 C ATOM 289 NZ LYS A 22 -5.891 19.870 2.310 1.00 0.00 N ATOM 0 H LYS A 22 -3.741 16.119 5.367 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.477 15.093 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.815 16.294 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.237 15.347 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.503 16.905 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.090 17.939 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.620 16.984 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.945 18.504 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.107 17.908 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.246 18.338 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.117 20.284 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.776 20.374 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.673 19.958 3.323 1.00 0.00 H new ATOM 303 N GLY A 23 -4.456 13.004 5.529 1.00 0.00 N ATOM 304 CA GLY A 23 -4.061 11.636 5.248 1.00 0.00 C ATOM 305 C GLY A 23 -2.597 11.520 4.873 1.00 0.00 C ATOM 306 O GLY A 23 -1.795 12.397 5.196 1.00 0.00 O ATOM 0 H GLY A 23 -4.119 13.373 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.259 11.017 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.673 11.244 4.436 1.00 0.00 H new ATOM 310 N PHE A 24 -2.247 10.435 4.191 1.00 0.00 N ATOM 311 CA PHE A 24 -0.868 10.207 3.774 1.00 0.00 C ATOM 312 C PHE A 24 -0.553 10.974 2.493 1.00 0.00 C ATOM 313 O PHE A 24 0.326 10.586 1.724 1.00 0.00 O ATOM 314 CB PHE A 24 -0.618 8.712 3.561 1.00 0.00 C ATOM 315 CG PHE A 24 -0.723 7.901 4.822 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.962 7.581 5.354 1.00 0.00 C ATOM 317 CD2 PHE A 24 0.416 7.460 5.474 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.061 6.836 6.513 1.00 0.00 C ATOM 319 CE2 PHE A 24 0.323 6.714 6.634 1.00 0.00 C ATOM 320 CZ PHE A 24 -0.917 6.401 7.154 1.00 0.00 C ATOM 0 H PHE A 24 -2.898 9.700 3.915 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.211 10.570 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.335 8.332 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.375 8.575 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.860 7.918 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.389 7.702 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.032 6.594 6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.219 6.376 7.133 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.993 5.818 8.060 1.00 0.00 H new ATOM 330 N GLY A 25 -1.278 12.066 2.271 1.00 0.00 N ATOM 331 CA GLY A 25 -1.062 12.870 1.083 1.00 0.00 C ATOM 332 C GLY A 25 -0.833 12.026 -0.155 1.00 0.00 C ATOM 333 O GLY A 25 0.041 12.328 -0.969 1.00 0.00 O ATOM 0 H GLY A 25 -2.011 12.408 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.925 13.516 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.201 13.520 1.240 1.00 0.00 H new ATOM 337 N PHE A 26 -1.619 10.964 -0.299 1.00 0.00 N ATOM 338 CA PHE A 26 -1.496 10.071 -1.445 1.00 0.00 C ATOM 339 C PHE A 26 -2.824 9.380 -1.741 1.00 0.00 C ATOM 340 O PHE A 26 -3.475 8.852 -0.840 1.00 0.00 O ATOM 341 CB PHE A 26 -0.409 9.025 -1.190 1.00 0.00 C ATOM 342 CG PHE A 26 -0.925 7.768 -0.551 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.808 6.943 -1.230 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.528 7.411 0.727 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.285 5.786 -0.644 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.002 6.254 1.318 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.881 5.440 0.631 1.00 0.00 C ATOM 0 H PHE A 26 -2.348 10.701 0.364 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.217 10.670 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.070 8.772 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.359 9.459 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.127 7.207 -2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.160 8.044 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.974 5.152 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.685 5.987 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.252 4.535 1.089 1.00 0.00 H new ATOM 357 N SER A 27 -3.218 9.388 -3.010 1.00 0.00 N ATOM 358 CA SER A 27 -4.470 8.766 -3.426 1.00 0.00 C ATOM 359 C SER A 27 -4.205 7.513 -4.255 1.00 0.00 C ATOM 360 O SER A 27 -3.085 7.284 -4.713 1.00 0.00 O ATOM 361 CB SER A 27 -5.313 9.755 -4.232 1.00 0.00 C ATOM 362 OG SER A 27 -6.655 9.312 -4.340 1.00 0.00 O ATOM 0 H SER A 27 -2.689 9.818 -3.768 1.00 0.00 H new ATOM 0 HA SER A 27 -5.019 8.478 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.287 10.734 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.885 9.875 -5.227 1.00 0.00 H new ATOM 0 HG SER A 27 -7.173 9.962 -4.858 1.00 0.00 H new ATOM 368 N ILE A 28 -5.243 6.705 -4.444 1.00 0.00 N ATOM 369 CA ILE A 28 -5.124 5.476 -5.218 1.00 0.00 C ATOM 370 C ILE A 28 -6.204 5.396 -6.292 1.00 0.00 C ATOM 371 O ILE A 28 -7.138 6.197 -6.308 1.00 0.00 O ATOM 372 CB ILE A 28 -5.218 4.231 -4.317 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.006 4.554 -3.046 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.827 3.722 -3.970 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.595 3.333 -2.374 1.00 0.00 C ATOM 0 H ILE A 28 -6.176 6.880 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.143 5.496 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.745 3.446 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.350 5.066 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.811 5.247 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.910 2.842 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.297 3.458 -4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.276 4.501 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.140 3.637 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.277 2.832 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.794 2.649 -2.095 1.00 0.00 H new ATOM 387 N ARG A 29 -6.070 4.422 -7.186 1.00 0.00 N ATOM 388 CA ARG A 29 -7.035 4.236 -8.263 1.00 0.00 C ATOM 389 C ARG A 29 -7.170 2.760 -8.624 1.00 0.00 C ATOM 390 O ARG A 29 -6.367 1.930 -8.197 1.00 0.00 O ATOM 391 CB ARG A 29 -6.615 5.037 -9.497 1.00 0.00 C ATOM 392 CG ARG A 29 -5.485 4.395 -10.284 1.00 0.00 C ATOM 393 CD ARG A 29 -5.505 4.828 -11.742 1.00 0.00 C ATOM 394 NE ARG A 29 -5.142 6.233 -11.900 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.888 6.671 -11.922 1.00 0.00 C ATOM 396 NH1 ARG A 29 -2.882 5.816 -11.796 1.00 0.00 N ATOM 397 NH2 ARG A 29 -3.637 7.965 -12.070 1.00 0.00 N ATOM 0 H ARG A 29 -5.303 3.750 -7.186 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.003 4.597 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.478 5.160 -10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.308 6.035 -9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.529 4.665 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.569 3.310 -10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.814 4.209 -12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.499 4.662 -12.156 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.893 6.916 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.070 4.820 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.920 6.154 -11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.408 8.626 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.673 8.299 -12.087 1.00 0.00 H new ATOM 411 N GLY A 30 -8.191 2.439 -9.412 1.00 0.00 N ATOM 412 CA GLY A 30 -8.412 1.062 -9.816 1.00 0.00 C ATOM 413 C GLY A 30 -9.029 0.226 -8.712 1.00 0.00 C ATOM 414 O GLY A 30 -9.472 0.758 -7.695 1.00 0.00 O ATOM 0 H GLY A 30 -8.869 3.107 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.064 1.043 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.463 0.618 -10.117 1.00 0.00 H new ATOM 418 N GLY A 31 -9.059 -1.088 -8.913 1.00 0.00 N ATOM 419 CA GLY A 31 -9.630 -1.978 -7.919 1.00 0.00 C ATOM 420 C GLY A 31 -10.607 -2.968 -8.521 1.00 0.00 C ATOM 421 O GLY A 31 -11.059 -2.795 -9.653 1.00 0.00 O ATOM 0 H GLY A 31 -8.698 -1.552 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.828 -2.522 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.139 -1.388 -7.157 1.00 0.00 H new ATOM 425 N ARG A 32 -10.933 -4.010 -7.763 1.00 0.00 N ATOM 426 CA ARG A 32 -11.860 -5.034 -8.229 1.00 0.00 C ATOM 427 C ARG A 32 -13.117 -4.401 -8.819 1.00 0.00 C ATOM 428 O ARG A 32 -13.800 -5.007 -9.644 1.00 0.00 O ATOM 429 CB ARG A 32 -12.240 -5.970 -7.080 1.00 0.00 C ATOM 430 CG ARG A 32 -11.270 -7.125 -6.890 1.00 0.00 C ATOM 431 CD ARG A 32 -11.385 -8.140 -8.016 1.00 0.00 C ATOM 432 NE ARG A 32 -12.627 -8.904 -7.939 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.111 -9.624 -8.945 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.460 -9.678 -10.099 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.247 -10.292 -8.798 1.00 0.00 N ATOM 0 H ARG A 32 -10.569 -4.167 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.363 -5.610 -9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.292 -5.395 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.237 -6.370 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.250 -6.742 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.467 -7.614 -5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.335 -7.625 -8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.536 -8.823 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.152 -8.884 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.586 -9.166 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.834 -10.232 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.750 -10.253 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.618 -10.844 -9.571 1.00 0.00 H new ATOM 449 N GLU A 33 -13.415 -3.178 -8.390 1.00 0.00 N ATOM 450 CA GLU A 33 -14.590 -2.464 -8.875 1.00 0.00 C ATOM 451 C GLU A 33 -14.454 -2.138 -10.360 1.00 0.00 C ATOM 452 O GLU A 33 -15.429 -2.192 -11.110 1.00 0.00 O ATOM 453 CB GLU A 33 -14.798 -1.176 -8.076 1.00 0.00 C ATOM 454 CG GLU A 33 -16.195 -0.593 -8.214 1.00 0.00 C ATOM 455 CD GLU A 33 -17.278 -1.568 -7.795 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.496 -1.724 -6.575 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.908 -2.174 -8.687 1.00 0.00 O ATOM 0 H GLU A 33 -12.859 -2.662 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.457 -3.110 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.599 -1.375 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.070 -0.434 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.269 0.310 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.360 -0.296 -9.250 1.00 0.00 H new ATOM 464 N TYR A 34 -13.239 -1.800 -10.776 1.00 0.00 N ATOM 465 CA TYR A 34 -12.975 -1.462 -12.169 1.00 0.00 C ATOM 466 C TYR A 34 -12.197 -2.577 -12.862 1.00 0.00 C ATOM 467 O TYR A 34 -11.656 -2.388 -13.952 1.00 0.00 O ATOM 468 CB TYR A 34 -12.194 -0.149 -12.258 1.00 0.00 C ATOM 469 CG TYR A 34 -12.646 0.892 -11.260 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.793 1.645 -11.482 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.925 1.125 -10.095 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.208 2.598 -10.572 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.334 2.075 -9.179 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.476 2.809 -9.423 1.00 0.00 C ATOM 475 OH TYR A 34 -13.886 3.758 -8.514 1.00 0.00 O ATOM 0 H TYR A 34 -12.421 -1.753 -10.168 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.933 -1.343 -12.675 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.135 -0.354 -12.102 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.295 0.257 -13.265 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.369 1.482 -12.381 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.029 0.553 -9.902 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.101 3.175 -10.760 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.763 2.242 -8.278 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.261 3.780 -7.760 1.00 0.00 H new ATOM 485 N LYS A 35 -12.145 -3.740 -12.222 1.00 0.00 N ATOM 486 CA LYS A 35 -11.437 -4.887 -12.775 1.00 0.00 C ATOM 487 C LYS A 35 -9.996 -4.523 -13.120 1.00 0.00 C ATOM 488 O LYS A 35 -9.529 -4.785 -14.227 1.00 0.00 O ATOM 489 CB LYS A 35 -12.156 -5.405 -14.022 1.00 0.00 C ATOM 490 CG LYS A 35 -13.546 -5.950 -13.741 1.00 0.00 C ATOM 491 CD LYS A 35 -13.485 -7.288 -13.023 1.00 0.00 C ATOM 492 CE LYS A 35 -14.777 -8.072 -13.195 1.00 0.00 C ATOM 493 NZ LYS A 35 -15.869 -7.536 -12.336 1.00 0.00 N ATOM 0 H LYS A 35 -12.586 -3.913 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.424 -5.672 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.232 -4.597 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.553 -6.189 -14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.102 -5.235 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.090 -6.064 -14.679 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.650 -7.872 -13.410 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.296 -7.125 -11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.086 -8.038 -14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.602 -9.119 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.733 -8.097 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.584 -7.592 -11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.054 -6.544 -12.588 1.00 0.00 H new ATOM 507 N MET A 36 -9.298 -3.918 -12.164 1.00 0.00 N ATOM 508 CA MET A 36 -7.910 -3.520 -12.368 1.00 0.00 C ATOM 509 C MET A 36 -7.169 -3.436 -11.037 1.00 0.00 C ATOM 510 O MET A 36 -7.786 -3.374 -9.974 1.00 0.00 O ATOM 511 CB MET A 36 -7.844 -2.173 -13.089 1.00 0.00 C ATOM 512 CG MET A 36 -8.508 -1.040 -12.323 1.00 0.00 C ATOM 513 SD MET A 36 -8.992 0.330 -13.390 1.00 0.00 S ATOM 514 CE MET A 36 -7.913 1.627 -12.786 1.00 0.00 C ATOM 0 H MET A 36 -9.670 -3.693 -11.242 1.00 0.00 H new ATOM 0 HA MET A 36 -7.427 -4.277 -12.986 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.800 -1.917 -13.268 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.320 -2.269 -14.065 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.389 -1.423 -11.807 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.824 -0.675 -11.557 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.470 2.155 -13.631 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.489 2.328 -12.182 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.122 1.188 -12.177 1.00 0.00 H new ATOM 524 N ASP A 37 -5.842 -3.433 -11.104 1.00 0.00 N ATOM 525 CA ASP A 37 -5.016 -3.355 -9.905 1.00 0.00 C ATOM 526 C ASP A 37 -5.100 -1.967 -9.276 1.00 0.00 C ATOM 527 O ASP A 37 -5.637 -1.034 -9.875 1.00 0.00 O ATOM 528 CB ASP A 37 -3.562 -3.690 -10.238 1.00 0.00 C ATOM 529 CG ASP A 37 -3.442 -4.669 -11.390 1.00 0.00 C ATOM 530 OD1 ASP A 37 -4.392 -5.451 -11.604 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.400 -4.652 -12.077 1.00 0.00 O ATOM 0 H ASP A 37 -5.315 -3.484 -11.976 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.393 -4.083 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.029 -2.773 -10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.078 -4.110 -9.356 1.00 0.00 H new ATOM 536 N LEU A 38 -4.567 -1.838 -8.066 1.00 0.00 N ATOM 537 CA LEU A 38 -4.583 -0.564 -7.356 1.00 0.00 C ATOM 538 C LEU A 38 -3.301 0.221 -7.617 1.00 0.00 C ATOM 539 O LEU A 38 -2.202 -0.248 -7.321 1.00 0.00 O ATOM 540 CB LEU A 38 -4.753 -0.798 -5.854 1.00 0.00 C ATOM 541 CG LEU A 38 -6.118 -1.322 -5.407 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.975 -2.205 -4.177 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.069 -0.167 -5.128 1.00 0.00 C ATOM 0 H LEU A 38 -4.119 -2.599 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.426 0.019 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.990 -1.505 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.559 0.141 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.536 -1.923 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.957 -2.568 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.331 -3.053 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.535 -1.628 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.035 -0.560 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.656 0.462 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.198 0.425 -6.034 1.00 0.00 H new ATOM 555 N TYR A 39 -3.450 1.419 -8.172 1.00 0.00 N ATOM 556 CA TYR A 39 -2.305 2.269 -8.474 1.00 0.00 C ATOM 557 C TYR A 39 -2.451 3.635 -7.809 1.00 0.00 C ATOM 558 O TYR A 39 -3.526 3.993 -7.328 1.00 0.00 O ATOM 559 CB TYR A 39 -2.154 2.439 -9.986 1.00 0.00 C ATOM 560 CG TYR A 39 -2.487 1.191 -10.773 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.805 0.856 -11.056 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.483 0.347 -11.231 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.114 -0.284 -11.773 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.782 -0.794 -11.950 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.099 -1.105 -12.218 1.00 0.00 C ATOM 566 OH TYR A 39 -3.401 -2.241 -12.933 1.00 0.00 O ATOM 0 H TYR A 39 -4.353 1.823 -8.422 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.411 1.786 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.801 3.251 -10.318 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.129 2.736 -10.209 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.602 1.498 -10.710 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.451 0.587 -11.021 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.144 -0.531 -11.984 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.989 -1.439 -12.300 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.662 -2.880 -12.859 1.00 0.00 H new ATOM 576 N VAL A 40 -1.360 4.394 -7.787 1.00 0.00 N ATOM 577 CA VAL A 40 -1.364 5.721 -7.183 1.00 0.00 C ATOM 578 C VAL A 40 -1.972 6.752 -8.127 1.00 0.00 C ATOM 579 O VAL A 40 -1.412 7.050 -9.183 1.00 0.00 O ATOM 580 CB VAL A 40 0.059 6.168 -6.800 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.026 7.523 -6.110 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.724 5.126 -5.914 1.00 0.00 C ATOM 0 H VAL A 40 -0.462 4.113 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.971 5.656 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 40 0.648 6.266 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.041 7.822 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.408 8.263 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.579 7.456 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.729 5.458 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.138 4.994 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.783 4.178 -6.449 1.00 0.00 H new ATOM 592 N LEU A 41 -3.121 7.295 -7.741 1.00 0.00 N ATOM 593 CA LEU A 41 -3.806 8.294 -8.553 1.00 0.00 C ATOM 594 C LEU A 41 -3.000 9.587 -8.620 1.00 0.00 C ATOM 595 O LEU A 41 -2.669 10.068 -9.704 1.00 0.00 O ATOM 596 CB LEU A 41 -5.197 8.577 -7.982 1.00 0.00 C ATOM 597 CG LEU A 41 -6.153 9.347 -8.894 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.602 10.732 -9.197 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.399 8.576 -10.182 1.00 0.00 C ATOM 0 H LEU A 41 -3.598 7.060 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.908 7.898 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.662 7.626 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.080 9.138 -7.055 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.105 9.462 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.296 11.265 -9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.478 11.286 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.637 10.639 -9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.082 9.139 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.454 8.429 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.838 7.606 -9.947 1.00 0.00 H new ATOM 611 N ARG A 42 -2.684 10.143 -7.455 1.00 0.00 N ATOM 612 CA ARG A 42 -1.915 11.380 -7.382 1.00 0.00 C ATOM 613 C ARG A 42 -1.243 11.522 -6.020 1.00 0.00 C ATOM 614 O ARG A 42 -1.750 11.031 -5.011 1.00 0.00 O ATOM 615 CB ARG A 42 -2.820 12.585 -7.645 1.00 0.00 C ATOM 616 CG ARG A 42 -2.378 13.848 -6.924 1.00 0.00 C ATOM 617 CD ARG A 42 -2.926 13.901 -5.507 1.00 0.00 C ATOM 618 NE ARG A 42 -4.307 14.377 -5.472 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.659 15.630 -5.738 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.737 16.528 -6.057 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.936 15.987 -5.686 1.00 0.00 N ATOM 0 H ARG A 42 -2.948 9.757 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.140 11.343 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.849 12.780 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.837 12.339 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.289 13.890 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.717 14.723 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.873 12.908 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.301 14.557 -4.901 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.041 13.711 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.754 16.257 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.010 17.489 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.648 15.299 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.205 16.949 -5.890 1.00 0.00 H new ATOM 635 N LEU A 43 -0.099 12.197 -5.998 1.00 0.00 N ATOM 636 CA LEU A 43 0.643 12.404 -4.760 1.00 0.00 C ATOM 637 C LEU A 43 0.466 13.831 -4.250 1.00 0.00 C ATOM 638 O LEU A 43 0.260 14.759 -5.032 1.00 0.00 O ATOM 639 CB LEU A 43 2.129 12.109 -4.977 1.00 0.00 C ATOM 640 CG LEU A 43 2.577 10.676 -4.689 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.061 10.513 -4.981 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.271 10.301 -3.246 1.00 0.00 C ATOM 0 H LEU A 43 0.335 12.610 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 43 0.248 11.718 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.379 12.346 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.709 12.783 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 43 2.022 10.003 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.363 9.487 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.252 10.740 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.633 11.196 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.597 9.278 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.799 10.978 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.198 10.378 -3.070 1.00 0.00 H new ATOM 654 N ALA A 44 0.550 13.999 -2.935 1.00 0.00 N ATOM 655 CA ALA A 44 0.403 15.313 -2.322 1.00 0.00 C ATOM 656 C ALA A 44 1.745 16.033 -2.236 1.00 0.00 C ATOM 657 O ALA A 44 2.655 15.586 -1.538 1.00 0.00 O ATOM 658 CB ALA A 44 -0.218 15.184 -0.938 1.00 0.00 C ATOM 0 H ALA A 44 0.719 13.241 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.259 15.907 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.322 16.173 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.200 14.719 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.423 14.567 -0.308 1.00 0.00 H new ATOM 664 N GLU A 45 1.861 17.147 -2.952 1.00 0.00 N ATOM 665 CA GLU A 45 3.093 17.926 -2.957 1.00 0.00 C ATOM 666 C GLU A 45 3.446 18.395 -1.548 1.00 0.00 C ATOM 667 O GLU A 45 4.609 18.663 -1.245 1.00 0.00 O ATOM 668 CB GLU A 45 2.957 19.132 -3.888 1.00 0.00 C ATOM 669 CG GLU A 45 1.844 20.087 -3.489 1.00 0.00 C ATOM 670 CD GLU A 45 2.058 21.489 -4.026 1.00 0.00 C ATOM 671 OE1 GLU A 45 1.905 21.685 -5.250 1.00 0.00 O ATOM 672 OE2 GLU A 45 2.377 22.390 -3.222 1.00 0.00 O ATOM 0 H GLU A 45 1.117 17.530 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 45 3.896 17.285 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.902 19.675 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.774 18.778 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.892 19.703 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.775 20.125 -2.402 1.00 0.00 H new ATOM 679 N ASP A 46 2.435 18.492 -0.692 1.00 0.00 N ATOM 680 CA ASP A 46 2.637 18.928 0.684 1.00 0.00 C ATOM 681 C ASP A 46 2.213 17.841 1.667 1.00 0.00 C ATOM 682 O ASP A 46 1.731 18.132 2.761 1.00 0.00 O ATOM 683 CB ASP A 46 1.851 20.212 0.956 1.00 0.00 C ATOM 684 CG ASP A 46 2.203 20.835 2.293 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.407 20.896 2.620 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.275 21.261 3.011 1.00 0.00 O ATOM 0 H ASP A 46 1.467 18.274 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 46 3.700 19.125 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.048 20.931 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.783 19.993 0.930 1.00 0.00 H new ATOM 691 N GLY A 47 2.395 16.586 1.267 1.00 0.00 N ATOM 692 CA GLY A 47 2.025 15.474 2.123 1.00 0.00 C ATOM 693 C GLY A 47 3.217 14.624 2.517 1.00 0.00 C ATOM 694 O GLY A 47 4.318 14.776 1.987 1.00 0.00 O ATOM 0 H GLY A 47 2.792 16.320 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.542 15.857 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.293 14.851 1.609 1.00 0.00 H new ATOM 698 N PRO A 48 3.004 13.706 3.472 1.00 0.00 N ATOM 699 CA PRO A 48 4.059 12.811 3.959 1.00 0.00 C ATOM 700 C PRO A 48 4.468 11.776 2.916 1.00 0.00 C ATOM 701 O PRO A 48 5.569 11.229 2.971 1.00 0.00 O ATOM 702 CB PRO A 48 3.414 12.128 5.167 1.00 0.00 C ATOM 703 CG PRO A 48 1.950 12.187 4.899 1.00 0.00 C ATOM 704 CD PRO A 48 1.718 13.469 4.148 1.00 0.00 C ATOM 0 HA PRO A 48 4.975 13.351 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.757 11.098 5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.668 12.642 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.626 11.327 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.382 12.171 5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.900 13.374 3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.461 14.288 4.820 1.00 0.00 H new ATOM 712 N ALA A 49 3.576 11.514 1.967 1.00 0.00 N ATOM 713 CA ALA A 49 3.846 10.546 0.911 1.00 0.00 C ATOM 714 C ALA A 49 4.925 11.057 -0.038 1.00 0.00 C ATOM 715 O ALA A 49 6.019 10.495 -0.109 1.00 0.00 O ATOM 716 CB ALA A 49 2.571 10.233 0.144 1.00 0.00 C ATOM 0 H ALA A 49 2.660 11.959 1.908 1.00 0.00 H new ATOM 0 HA ALA A 49 4.211 9.630 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.787 9.509 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.829 9.818 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.181 11.148 -0.303 1.00 0.00 H new ATOM 722 N ILE A 50 4.610 12.123 -0.765 1.00 0.00 N ATOM 723 CA ILE A 50 5.554 12.709 -1.710 1.00 0.00 C ATOM 724 C ILE A 50 6.919 12.917 -1.065 1.00 0.00 C ATOM 725 O ILE A 50 7.939 12.975 -1.752 1.00 0.00 O ATOM 726 CB ILE A 50 5.043 14.057 -2.252 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.623 14.323 -3.643 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.405 15.183 -1.297 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.824 15.324 -4.449 1.00 0.00 C ATOM 0 H ILE A 50 3.709 12.599 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 50 5.650 12.007 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 50 3.957 14.012 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.645 14.686 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.673 13.383 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.037 16.129 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.950 14.996 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.488 15.232 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.293 15.464 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.808 14.954 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.795 16.277 -3.920 1.00 0.00 H new ATOM 741 N ARG A 51 6.931 13.028 0.260 1.00 0.00 N ATOM 742 CA ARG A 51 8.172 13.229 0.998 1.00 0.00 C ATOM 743 C ARG A 51 8.896 11.904 1.217 1.00 0.00 C ATOM 744 O ARG A 51 10.123 11.863 1.304 1.00 0.00 O ATOM 745 CB ARG A 51 7.886 13.894 2.346 1.00 0.00 C ATOM 746 CG ARG A 51 7.344 15.309 2.224 1.00 0.00 C ATOM 747 CD ARG A 51 6.962 15.878 3.582 1.00 0.00 C ATOM 748 NE ARG A 51 8.134 16.167 4.403 1.00 0.00 N ATOM 749 CZ ARG A 51 8.125 17.019 5.423 1.00 0.00 C ATOM 750 NH1 ARG A 51 7.011 17.660 5.745 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.233 17.229 6.123 1.00 0.00 N ATOM 0 H ARG A 51 6.096 12.982 0.844 1.00 0.00 H new ATOM 0 HA ARG A 51 8.815 13.881 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.169 13.285 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.804 13.915 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.094 15.948 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.473 15.311 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.383 16.791 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.319 15.169 4.104 1.00 0.00 H new ATOM 0 HE ARG A 51 9.007 15.689 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.158 17.500 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.007 18.313 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.092 16.736 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.226 17.883 6.906 1.00 0.00 H new ATOM 765 N ASN A 52 8.128 10.823 1.304 1.00 0.00 N ATOM 766 CA ASN A 52 8.696 9.496 1.513 1.00 0.00 C ATOM 767 C ASN A 52 9.645 9.126 0.378 1.00 0.00 C ATOM 768 O ASN A 52 10.807 8.794 0.609 1.00 0.00 O ATOM 769 CB ASN A 52 7.582 8.453 1.622 1.00 0.00 C ATOM 770 CG ASN A 52 7.978 7.120 1.018 1.00 0.00 C ATOM 771 OD1 ASN A 52 8.946 6.493 1.448 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.228 6.680 0.014 1.00 0.00 N ATOM 0 H ASN A 52 7.111 10.840 1.233 1.00 0.00 H new ATOM 0 HA ASN A 52 9.261 9.513 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.322 8.311 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.689 8.825 1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.445 5.789 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.435 7.233 -0.310 1.00 0.00 H new ATOM 779 N GLY A 53 9.142 9.186 -0.852 1.00 0.00 N ATOM 780 CA GLY A 53 9.958 8.855 -2.005 1.00 0.00 C ATOM 781 C GLY A 53 9.822 7.402 -2.414 1.00 0.00 C ATOM 782 O GLY A 53 9.544 7.100 -3.575 1.00 0.00 O ATOM 0 H GLY A 53 8.183 9.458 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.674 9.493 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.003 9.070 -1.780 1.00 0.00 H new ATOM 786 N ARG A 54 10.019 6.499 -1.459 1.00 0.00 N ATOM 787 CA ARG A 54 9.919 5.069 -1.726 1.00 0.00 C ATOM 788 C ARG A 54 8.769 4.775 -2.685 1.00 0.00 C ATOM 789 O ARG A 54 8.801 3.792 -3.425 1.00 0.00 O ATOM 790 CB ARG A 54 9.720 4.297 -0.421 1.00 0.00 C ATOM 791 CG ARG A 54 10.947 4.288 0.475 1.00 0.00 C ATOM 792 CD ARG A 54 11.866 3.121 0.149 1.00 0.00 C ATOM 793 NE ARG A 54 12.851 2.890 1.202 1.00 0.00 N ATOM 794 CZ ARG A 54 13.453 1.722 1.403 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.171 0.686 0.625 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.338 1.590 2.382 1.00 0.00 N ATOM 0 H ARG A 54 10.249 6.732 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 54 10.850 4.746 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.885 4.734 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.444 3.269 -0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.491 5.225 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.637 4.228 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.270 2.219 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.380 3.316 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 54 13.090 3.668 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.491 0.785 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.634 -0.210 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.557 2.385 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.799 0.693 2.535 1.00 0.00 H new ATOM 810 N MET A 55 7.754 5.632 -2.664 1.00 0.00 N ATOM 811 CA MET A 55 6.594 5.464 -3.532 1.00 0.00 C ATOM 812 C MET A 55 6.310 6.742 -4.314 1.00 0.00 C ATOM 813 O MET A 55 6.456 7.847 -3.790 1.00 0.00 O ATOM 814 CB MET A 55 5.366 5.073 -2.708 1.00 0.00 C ATOM 815 CG MET A 55 4.589 6.264 -2.173 1.00 0.00 C ATOM 816 SD MET A 55 3.517 7.010 -3.417 1.00 0.00 S ATOM 817 CE MET A 55 1.906 6.730 -2.688 1.00 0.00 C ATOM 0 H MET A 55 7.711 6.450 -2.056 1.00 0.00 H new ATOM 0 HA MET A 55 6.815 4.667 -4.242 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.704 4.465 -3.324 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.683 4.451 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.986 5.947 -1.322 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.289 7.014 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.132 7.089 -3.367 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.767 5.663 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.836 7.267 -1.742 1.00 0.00 H new ATOM 827 N ARG A 56 5.904 6.585 -5.570 1.00 0.00 N ATOM 828 CA ARG A 56 5.601 7.727 -6.424 1.00 0.00 C ATOM 829 C ARG A 56 4.367 7.455 -7.279 1.00 0.00 C ATOM 830 O ARG A 56 3.719 6.417 -7.140 1.00 0.00 O ATOM 831 CB ARG A 56 6.796 8.050 -7.322 1.00 0.00 C ATOM 832 CG ARG A 56 7.701 9.137 -6.765 1.00 0.00 C ATOM 833 CD ARG A 56 8.760 8.559 -5.839 1.00 0.00 C ATOM 834 NE ARG A 56 9.822 9.520 -5.556 1.00 0.00 N ATOM 835 CZ ARG A 56 10.770 9.846 -6.428 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.786 9.292 -7.632 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.703 10.729 -6.096 1.00 0.00 N ATOM 0 H ARG A 56 5.777 5.678 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 56 5.395 8.584 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.382 7.143 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.431 8.360 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.184 9.666 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.102 9.869 -6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.294 8.248 -4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.190 7.666 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 56 9.837 9.966 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.069 8.614 -7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.515 9.544 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.693 11.158 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.430 10.979 -6.766 1.00 0.00 H new ATOM 851 N VAL A 57 4.046 8.394 -8.163 1.00 0.00 N ATOM 852 CA VAL A 57 2.890 8.256 -9.040 1.00 0.00 C ATOM 853 C VAL A 57 3.234 7.429 -10.274 1.00 0.00 C ATOM 854 O VAL A 57 4.317 7.561 -10.841 1.00 0.00 O ATOM 855 CB VAL A 57 2.358 9.630 -9.488 1.00 0.00 C ATOM 856 CG1 VAL A 57 1.143 9.464 -10.389 1.00 0.00 C ATOM 857 CG2 VAL A 57 2.023 10.491 -8.280 1.00 0.00 C ATOM 0 H VAL A 57 4.571 9.259 -8.291 1.00 0.00 H new ATOM 0 HA VAL A 57 2.116 7.745 -8.467 1.00 0.00 H new ATOM 0 HB VAL A 57 3.138 10.134 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.781 10.445 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.420 8.887 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.356 8.940 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.649 11.458 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.260 9.995 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.920 10.638 -7.678 1.00 0.00 H new ATOM 867 N GLY A 58 2.301 6.575 -10.686 1.00 0.00 N ATOM 868 CA GLY A 58 2.523 5.739 -11.852 1.00 0.00 C ATOM 869 C GLY A 58 2.994 4.346 -11.484 1.00 0.00 C ATOM 870 O GLY A 58 3.480 3.602 -12.337 1.00 0.00 O ATOM 0 H GLY A 58 1.396 6.447 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.599 5.667 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.263 6.211 -12.498 1.00 0.00 H new ATOM 874 N ASP A 59 2.851 3.992 -10.212 1.00 0.00 N ATOM 875 CA ASP A 59 3.266 2.678 -9.733 1.00 0.00 C ATOM 876 C ASP A 59 2.059 1.769 -9.526 1.00 0.00 C ATOM 877 O ASP A 59 0.914 2.207 -9.640 1.00 0.00 O ATOM 878 CB ASP A 59 4.049 2.812 -8.426 1.00 0.00 C ATOM 879 CG ASP A 59 5.292 3.667 -8.580 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.337 3.124 -8.996 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.220 4.878 -8.285 1.00 0.00 O ATOM 0 H ASP A 59 2.451 4.596 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 59 3.910 2.230 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.404 3.248 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.335 1.821 -8.074 1.00 0.00 H new ATOM 886 N GLN A 60 2.323 0.502 -9.223 1.00 0.00 N ATOM 887 CA GLN A 60 1.258 -0.468 -9.002 1.00 0.00 C ATOM 888 C GLN A 60 1.377 -1.103 -7.621 1.00 0.00 C ATOM 889 O GLN A 60 2.384 -1.735 -7.302 1.00 0.00 O ATOM 890 CB GLN A 60 1.296 -1.553 -10.080 1.00 0.00 C ATOM 891 CG GLN A 60 0.060 -2.438 -10.097 1.00 0.00 C ATOM 892 CD GLN A 60 0.192 -3.643 -9.188 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.117 -4.444 -9.330 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.734 -3.779 -8.246 1.00 0.00 N ATOM 0 H GLN A 60 3.265 0.124 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 60 0.305 0.058 -9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.407 -1.080 -11.056 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.177 -2.176 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.806 -1.851 -9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.126 -2.776 -11.117 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.483 -3.092 -8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.696 -4.571 -7.604 1.00 0.00 H new ATOM 903 N ILE A 61 0.343 -0.930 -6.805 1.00 0.00 N ATOM 904 CA ILE A 61 0.332 -1.486 -5.457 1.00 0.00 C ATOM 905 C ILE A 61 -0.200 -2.916 -5.457 1.00 0.00 C ATOM 906 O ILE A 61 -1.299 -3.180 -5.945 1.00 0.00 O ATOM 907 CB ILE A 61 -0.524 -0.633 -4.503 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.168 0.848 -4.650 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.328 -1.090 -3.065 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.308 1.781 -4.305 1.00 0.00 C ATOM 0 H ILE A 61 -0.498 -0.409 -7.053 1.00 0.00 H new ATOM 0 HA ILE A 61 1.364 -1.484 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.574 -0.763 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.683 1.074 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.148 1.037 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.939 -0.478 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.625 -2.134 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.722 -0.986 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.984 2.814 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.153 1.582 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.610 1.620 -3.270 1.00 0.00 H new ATOM 922 N ILE A 62 0.587 -3.833 -4.906 1.00 0.00 N ATOM 923 CA ILE A 62 0.195 -5.235 -4.839 1.00 0.00 C ATOM 924 C ILE A 62 -0.298 -5.603 -3.444 1.00 0.00 C ATOM 925 O ILE A 62 -1.249 -6.369 -3.293 1.00 0.00 O ATOM 926 CB ILE A 62 1.361 -6.165 -5.221 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.700 -5.506 -4.883 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.297 -6.517 -6.700 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.113 -4.436 -5.869 1.00 0.00 C ATOM 0 H ILE A 62 1.500 -3.630 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.616 -5.370 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 62 1.274 -7.086 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.638 -5.067 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.474 -6.273 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.128 -7.175 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.355 -7.023 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.361 -5.605 -7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.071 -4.013 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.207 -4.874 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.359 -3.649 -5.889 1.00 0.00 H new ATOM 941 N GLU A 63 0.356 -5.050 -2.427 1.00 0.00 N ATOM 942 CA GLU A 63 -0.017 -5.320 -1.043 1.00 0.00 C ATOM 943 C GLU A 63 -0.299 -4.021 -0.293 1.00 0.00 C ATOM 944 O GLU A 63 0.177 -2.953 -0.679 1.00 0.00 O ATOM 945 CB GLU A 63 1.092 -6.100 -0.335 1.00 0.00 C ATOM 946 CG GLU A 63 0.676 -6.663 1.014 1.00 0.00 C ATOM 947 CD GLU A 63 1.493 -7.874 1.418 1.00 0.00 C ATOM 948 OE1 GLU A 63 1.996 -8.577 0.516 1.00 0.00 O ATOM 949 OE2 GLU A 63 1.628 -8.120 2.634 1.00 0.00 O ATOM 0 H GLU A 63 1.146 -4.413 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.926 -5.921 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.415 -6.920 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.953 -5.446 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.780 -5.889 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.379 -6.936 0.980 1.00 0.00 H new ATOM 956 N ILE A 64 -1.075 -4.122 0.781 1.00 0.00 N ATOM 957 CA ILE A 64 -1.420 -2.956 1.586 1.00 0.00 C ATOM 958 C ILE A 64 -1.330 -3.270 3.075 1.00 0.00 C ATOM 959 O ILE A 64 -1.804 -4.310 3.530 1.00 0.00 O ATOM 960 CB ILE A 64 -2.838 -2.450 1.264 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.902 -1.922 -0.170 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.251 -1.368 2.251 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.301 -1.558 -0.619 1.00 0.00 C ATOM 0 H ILE A 64 -1.477 -4.999 1.114 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.700 -2.176 1.338 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.534 -3.284 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.262 -1.043 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.497 -2.677 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.256 -1.020 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.240 -1.775 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.553 -0.533 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.270 -1.191 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.940 -2.439 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.701 -0.781 0.032 1.00 0.00 H new ATOM 975 N ASN A 65 -0.718 -2.363 3.830 1.00 0.00 N ATOM 976 CA ASN A 65 -0.566 -2.542 5.269 1.00 0.00 C ATOM 977 C ASN A 65 -0.204 -3.986 5.602 1.00 0.00 C ATOM 978 O ASN A 65 -0.479 -4.469 6.699 1.00 0.00 O ATOM 979 CB ASN A 65 -1.856 -2.149 5.992 1.00 0.00 C ATOM 980 CG ASN A 65 -1.877 -0.684 6.381 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.843 -0.103 6.712 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.059 -0.079 6.343 1.00 0.00 N ATOM 0 H ASN A 65 -0.319 -1.496 3.469 1.00 0.00 H new ATOM 0 HA ASN A 65 0.244 -1.895 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.710 -2.364 5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.969 -2.761 6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.136 0.907 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.890 -0.600 6.062 1.00 0.00 H new ATOM 989 N GLY A 66 0.417 -4.671 4.645 1.00 0.00 N ATOM 990 CA GLY A 66 0.808 -6.052 4.856 1.00 0.00 C ATOM 991 C GLY A 66 -0.325 -7.023 4.589 1.00 0.00 C ATOM 992 O GLY A 66 -0.450 -8.043 5.267 1.00 0.00 O ATOM 0 H GLY A 66 0.656 -4.293 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.649 -6.292 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.154 -6.176 5.882 1.00 0.00 H new ATOM 996 N GLU A 67 -1.155 -6.704 3.600 1.00 0.00 N ATOM 997 CA GLU A 67 -2.285 -7.555 3.248 1.00 0.00 C ATOM 998 C GLU A 67 -2.483 -7.598 1.736 1.00 0.00 C ATOM 999 O GLU A 67 -2.585 -6.560 1.083 1.00 0.00 O ATOM 1000 CB GLU A 67 -3.561 -7.053 3.927 1.00 0.00 C ATOM 1001 CG GLU A 67 -4.364 -6.086 3.073 1.00 0.00 C ATOM 1002 CD GLU A 67 -5.707 -5.742 3.688 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -5.722 -5.184 4.805 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -6.742 -6.030 3.052 1.00 0.00 O ATOM 0 H GLU A 67 -1.066 -5.863 3.029 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.070 -8.565 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.188 -7.908 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.296 -6.563 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.789 -5.171 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.521 -6.522 2.087 1.00 0.00 H new ATOM 1011 N SER A 68 -2.536 -8.807 1.186 1.00 0.00 N ATOM 1012 CA SER A 68 -2.717 -8.987 -0.250 1.00 0.00 C ATOM 1013 C SER A 68 -3.854 -8.110 -0.768 1.00 0.00 C ATOM 1014 O SER A 68 -4.869 -7.926 -0.095 1.00 0.00 O ATOM 1015 CB SER A 68 -3.004 -10.455 -0.570 1.00 0.00 C ATOM 1016 OG SER A 68 -1.818 -11.229 -0.518 1.00 0.00 O ATOM 0 H SER A 68 -2.456 -9.677 1.713 1.00 0.00 H new ATOM 0 HA SER A 68 -1.794 -8.688 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.731 -10.850 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.451 -10.534 -1.561 1.00 0.00 H new ATOM 0 HG SER A 68 -2.028 -12.164 -0.724 1.00 0.00 H new ATOM 1022 N THR A 69 -3.676 -7.571 -1.970 1.00 0.00 N ATOM 1023 CA THR A 69 -4.685 -6.713 -2.579 1.00 0.00 C ATOM 1024 C THR A 69 -5.161 -7.283 -3.910 1.00 0.00 C ATOM 1025 O THR A 69 -5.159 -6.592 -4.929 1.00 0.00 O ATOM 1026 CB THR A 69 -4.146 -5.288 -2.807 1.00 0.00 C ATOM 1027 OG1 THR A 69 -3.318 -5.258 -3.974 1.00 0.00 O ATOM 1028 CG2 THR A 69 -3.351 -4.811 -1.602 1.00 0.00 C ATOM 0 H THR A 69 -2.843 -7.713 -2.541 1.00 0.00 H new ATOM 0 HA THR A 69 -5.524 -6.670 -1.885 1.00 0.00 H new ATOM 0 HB THR A 69 -4.996 -4.620 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.735 -6.045 -3.982 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.981 -3.803 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.993 -4.806 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.509 -5.482 -1.433 1.00 0.00 H new ATOM 1036 N ARG A 70 -5.568 -8.548 -3.895 1.00 0.00 N ATOM 1037 CA ARG A 70 -6.046 -9.212 -5.102 1.00 0.00 C ATOM 1038 C ARG A 70 -7.547 -9.002 -5.279 1.00 0.00 C ATOM 1039 O ARG A 70 -7.985 -8.354 -6.230 1.00 0.00 O ATOM 1040 CB ARG A 70 -5.732 -10.708 -5.046 1.00 0.00 C ATOM 1041 CG ARG A 70 -6.093 -11.454 -6.320 1.00 0.00 C ATOM 1042 CD ARG A 70 -5.011 -11.303 -7.379 1.00 0.00 C ATOM 1043 NE ARG A 70 -5.081 -10.008 -8.051 1.00 0.00 N ATOM 1044 CZ ARG A 70 -4.066 -9.472 -8.720 1.00 0.00 C ATOM 1045 NH1 ARG A 70 -2.910 -10.115 -8.805 1.00 0.00 N ATOM 1046 NH2 ARG A 70 -4.207 -8.290 -9.305 1.00 0.00 N ATOM 0 H ARG A 70 -5.576 -9.134 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.532 -8.772 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.669 -10.840 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.271 -11.153 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.239 -12.511 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.039 -11.077 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.031 -11.419 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.111 -12.100 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.957 -9.487 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.798 -11.024 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.133 -9.701 -9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.095 -7.792 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.427 -7.879 -9.818 1.00 0.00 H new ATOM 1060 N ASP A 71 -8.329 -9.554 -4.358 1.00 0.00 N ATOM 1061 CA ASP A 71 -9.781 -9.427 -4.412 1.00 0.00 C ATOM 1062 C ASP A 71 -10.260 -8.283 -3.524 1.00 0.00 C ATOM 1063 O ASP A 71 -10.982 -8.500 -2.551 1.00 0.00 O ATOM 1064 CB ASP A 71 -10.445 -10.736 -3.981 1.00 0.00 C ATOM 1065 CG ASP A 71 -10.603 -11.711 -5.132 1.00 0.00 C ATOM 1066 OD1 ASP A 71 -11.634 -11.638 -5.833 1.00 0.00 O ATOM 1067 OD2 ASP A 71 -9.697 -12.548 -5.330 1.00 0.00 O ATOM 0 H ASP A 71 -7.982 -10.094 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.064 -9.207 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.850 -11.200 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.425 -10.520 -3.554 1.00 0.00 H new ATOM 1072 N MET A 72 -9.851 -7.066 -3.865 1.00 0.00 N ATOM 1073 CA MET A 72 -10.239 -5.887 -3.098 1.00 0.00 C ATOM 1074 C MET A 72 -10.746 -4.782 -4.018 1.00 0.00 C ATOM 1075 O MET A 72 -10.392 -4.730 -5.197 1.00 0.00 O ATOM 1076 CB MET A 72 -9.055 -5.377 -2.273 1.00 0.00 C ATOM 1077 CG MET A 72 -8.194 -6.487 -1.695 1.00 0.00 C ATOM 1078 SD MET A 72 -7.356 -5.997 -0.175 1.00 0.00 S ATOM 1079 CE MET A 72 -6.714 -4.392 -0.645 1.00 0.00 C ATOM 0 H MET A 72 -9.252 -6.870 -4.667 1.00 0.00 H new ATOM 0 HA MET A 72 -11.047 -6.173 -2.424 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.435 -4.737 -2.900 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.430 -4.758 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.817 -7.359 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.451 -6.788 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.909 -4.109 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.330 -4.438 -1.664 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.512 -3.651 -0.591 1.00 0.00 H new ATOM 1089 N THR A 73 -11.579 -3.900 -3.474 1.00 0.00 N ATOM 1090 CA THR A 73 -12.136 -2.797 -4.247 1.00 0.00 C ATOM 1091 C THR A 73 -11.526 -1.466 -3.824 1.00 0.00 C ATOM 1092 O THR A 73 -11.174 -1.275 -2.659 1.00 0.00 O ATOM 1093 CB THR A 73 -13.667 -2.720 -4.092 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.015 -2.637 -2.705 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.336 -3.935 -4.716 1.00 0.00 C ATOM 0 H THR A 73 -11.883 -3.928 -2.501 1.00 0.00 H new ATOM 0 HA THR A 73 -11.893 -2.989 -5.292 1.00 0.00 H new ATOM 0 HB THR A 73 -14.018 -1.827 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.990 -2.587 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.416 -3.858 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.093 -3.979 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.979 -4.840 -4.224 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.403 -0.547 -4.776 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.836 0.768 -4.501 1.00 0.00 C ATOM 1105 C HIS A 74 -11.241 1.255 -3.114 1.00 0.00 C ATOM 1106 O HIS A 74 -10.490 1.972 -2.453 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.289 1.774 -5.560 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.439 3.006 -5.619 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.728 4.081 -6.433 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.303 3.330 -4.959 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.805 5.013 -6.271 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.929 4.582 -5.382 1.00 0.00 N ATOM 0 H HIS A 74 -11.688 -0.689 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.750 0.682 -4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.280 1.290 -6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.320 2.063 -5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.787 2.718 -4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.773 5.965 -6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.108 5.095 -5.061 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.434 0.862 -2.679 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.938 1.258 -1.370 1.00 0.00 C ATOM 1123 C ALA A 75 -12.118 0.624 -0.251 1.00 0.00 C ATOM 1124 O ALA A 75 -11.688 1.306 0.679 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.405 0.877 -1.232 1.00 0.00 C ATOM 0 H ALA A 75 -13.069 0.270 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.845 2.341 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.768 1.179 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.986 1.381 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.513 -0.202 -1.343 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.907 -0.685 -0.347 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.140 -1.410 0.658 1.00 0.00 C ATOM 1133 C ARG A 76 -9.799 -0.729 0.916 1.00 0.00 C ATOM 1134 O ARG A 76 -9.448 -0.442 2.060 1.00 0.00 O ATOM 1135 CB ARG A 76 -10.912 -2.856 0.211 1.00 0.00 C ATOM 1136 CG ARG A 76 -9.919 -3.612 1.079 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.234 -3.449 2.557 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.845 -4.625 3.332 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.315 -4.893 4.545 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.187 -4.075 5.119 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.913 -5.983 5.187 1.00 0.00 N ATOM 0 H ARG A 76 -12.256 -1.264 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.712 -1.409 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.865 -3.385 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.556 -2.857 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.937 -4.670 0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.910 -3.251 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.715 -2.572 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.302 -3.269 2.683 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.176 -5.275 2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.499 -3.237 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.546 -4.284 6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.243 -6.615 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.274 -6.189 6.119 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.055 -0.474 -0.155 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.755 0.175 -0.045 1.00 0.00 C ATOM 1157 C ALA A 77 -7.860 1.491 0.718 1.00 0.00 C ATOM 1158 O ALA A 77 -7.099 1.739 1.654 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.164 0.410 -1.428 1.00 0.00 C ATOM 0 H ALA A 77 -9.331 -0.707 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.093 -0.486 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.193 0.895 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.043 -0.545 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.833 1.048 -2.006 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.807 2.330 0.312 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.011 3.620 0.959 1.00 0.00 C ATOM 1167 C ILE A 78 -9.336 3.448 2.439 1.00 0.00 C ATOM 1168 O ILE A 78 -9.257 4.399 3.216 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.145 4.415 0.285 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.872 4.565 -1.213 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.298 5.779 0.940 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.069 5.799 -1.560 1.00 0.00 C ATOM 0 H ILE A 78 -9.444 2.140 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.078 4.175 0.856 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.078 3.866 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.339 3.683 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.822 4.598 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.103 6.328 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.534 5.651 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.367 6.337 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.913 5.841 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.610 6.688 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.104 5.759 -1.055 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.702 2.228 2.821 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.038 1.932 4.209 1.00 0.00 C ATOM 1186 C GLU A 79 -8.804 1.476 4.982 1.00 0.00 C ATOM 1187 O GLU A 79 -8.586 1.885 6.123 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.122 0.854 4.275 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.005 -0.054 5.487 1.00 0.00 C ATOM 1190 CD GLU A 79 -11.576 0.574 6.744 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -11.276 1.758 7.005 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.323 -0.119 7.466 1.00 0.00 O ATOM 0 H GLU A 79 -9.773 1.430 2.190 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.416 2.846 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.100 1.335 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.074 0.247 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.524 -0.991 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.956 -0.300 5.652 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.000 0.625 4.353 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.787 0.112 4.981 1.00 0.00 C ATOM 1201 C LEU A 80 -5.829 1.248 5.323 1.00 0.00 C ATOM 1202 O LEU A 80 -5.177 1.229 6.368 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.097 -0.892 4.056 1.00 0.00 C ATOM 1204 CG LEU A 80 -6.906 -2.138 3.694 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.080 -3.079 2.831 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.385 -2.847 4.952 1.00 0.00 C ATOM 0 H LEU A 80 -8.166 0.276 3.409 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.070 -0.390 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.826 -0.379 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.168 -1.211 4.528 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.780 -1.827 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.672 -3.960 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.788 -2.569 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.187 -3.384 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.959 -3.731 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.525 -3.146 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.015 -2.173 5.532 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.750 2.236 4.438 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.874 3.381 4.649 1.00 0.00 C ATOM 1220 C ILE A 81 -5.260 4.144 5.911 1.00 0.00 C ATOM 1221 O ILE A 81 -4.405 4.699 6.602 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.909 4.346 3.449 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.657 3.583 2.146 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.881 5.453 3.628 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.123 4.324 0.912 1.00 0.00 C ATOM 0 H ILE A 81 -6.282 2.266 3.568 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.863 2.988 4.760 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.898 4.801 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.590 3.377 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.164 2.620 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.918 6.126 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.102 6.011 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.885 5.016 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.913 3.724 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.195 4.506 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.597 5.276 0.839 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.555 4.167 6.209 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.057 4.859 7.390 1.00 0.00 C ATOM 1239 C LYS A 82 -7.272 3.883 8.542 1.00 0.00 C ATOM 1240 O LYS A 82 -7.357 4.285 9.702 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.368 5.579 7.066 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.352 4.728 6.283 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.610 5.506 5.937 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.283 6.798 5.204 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.503 7.440 4.641 1.00 0.00 N ATOM 0 H LYS A 82 -7.276 3.714 5.648 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.312 5.594 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.837 5.898 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.146 6.481 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.879 4.373 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.617 3.847 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.261 4.890 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.161 5.734 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.792 7.490 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.577 6.591 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.238 8.317 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.958 6.790 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.166 7.661 5.411 1.00 0.00 H new ATOM 1259 N SER A 83 -7.358 2.597 8.214 1.00 0.00 N ATOM 1260 CA SER A 83 -7.566 1.564 9.222 1.00 0.00 C ATOM 1261 C SER A 83 -6.287 1.313 10.014 1.00 0.00 C ATOM 1262 O SER A 83 -6.330 1.015 11.207 1.00 0.00 O ATOM 1263 CB SER A 83 -8.033 0.265 8.562 1.00 0.00 C ATOM 1264 OG SER A 83 -8.314 -0.728 9.532 1.00 0.00 O ATOM 0 H SER A 83 -7.287 2.246 7.259 1.00 0.00 H new ATOM 0 HA SER A 83 -8.337 1.912 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.925 0.457 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.264 -0.097 7.879 1.00 0.00 H new ATOM 0 HG SER A 83 -8.612 -1.547 9.085 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.147 1.435 9.341 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.870 1.219 9.996 1.00 0.00 C ATOM 1272 C GLY A 84 -3.538 2.311 10.993 1.00 0.00 C ATOM 1273 O GLY A 84 -3.035 2.036 12.081 1.00 0.00 O ATOM 0 H GLY A 84 -5.085 1.680 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.886 0.257 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.083 1.167 9.243 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.818 3.556 10.620 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.537 4.675 11.499 1.00 0.00 C ATOM 1279 C GLY A 85 -2.723 5.758 10.819 1.00 0.00 C ATOM 1280 O GLY A 85 -2.963 6.087 9.657 1.00 0.00 O ATOM 0 H GLY A 85 -4.235 3.809 9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.476 5.099 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.998 4.317 12.376 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.757 6.314 11.543 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.907 7.367 11.003 1.00 0.00 C ATOM 1286 C ARG A 86 0.235 6.777 10.180 1.00 0.00 C ATOM 1287 O ARG A 86 0.796 7.443 9.311 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.342 8.227 12.135 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.169 9.468 12.428 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.929 9.977 13.841 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.635 11.229 14.099 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.342 12.044 15.106 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.361 11.740 15.945 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.030 13.166 15.276 1.00 0.00 N ATOM 0 H ARG A 86 -1.544 6.052 12.506 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.517 7.992 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.275 7.623 13.040 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.673 8.530 11.878 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.920 10.250 11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.227 9.241 12.297 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.254 9.223 14.558 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.140 10.125 13.996 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.395 11.492 13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.170 10.879 15.818 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.138 12.367 16.718 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.785 13.404 14.633 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.804 13.791 16.050 1.00 0.00 H new ATOM 1308 N ARG A 87 0.573 5.523 10.462 1.00 0.00 N ATOM 1309 CA ARG A 87 1.648 4.843 9.750 1.00 0.00 C ATOM 1310 C ARG A 87 1.092 3.752 8.840 1.00 0.00 C ATOM 1311 O ARG A 87 0.394 2.845 9.294 1.00 0.00 O ATOM 1312 CB ARG A 87 2.642 4.237 10.742 1.00 0.00 C ATOM 1313 CG ARG A 87 3.284 5.261 11.664 1.00 0.00 C ATOM 1314 CD ARG A 87 3.921 4.598 12.875 1.00 0.00 C ATOM 1315 NE ARG A 87 5.143 3.878 12.526 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.032 3.462 13.421 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.837 3.694 14.711 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.120 2.813 13.025 1.00 0.00 N ATOM 0 H ARG A 87 0.118 4.957 11.179 1.00 0.00 H new ATOM 0 HA ARG A 87 2.164 5.579 9.133 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.129 3.488 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.425 3.718 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.040 5.823 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.532 5.978 11.994 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.148 5.355 13.625 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.209 3.907 13.326 1.00 0.00 H new ATOM 0 HE ARG A 87 5.324 3.684 11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.003 4.193 15.019 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.521 3.373 15.396 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.274 2.633 12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.802 2.494 13.713 1.00 0.00 H new ATOM 1332 N VAL A 88 1.407 3.846 7.551 1.00 0.00 N ATOM 1333 CA VAL A 88 0.940 2.867 6.577 1.00 0.00 C ATOM 1334 C VAL A 88 2.109 2.237 5.828 1.00 0.00 C ATOM 1335 O VAL A 88 3.138 2.876 5.612 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.024 3.504 5.559 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.702 4.535 4.708 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.661 2.434 4.686 1.00 0.00 C ATOM 0 H VAL A 88 1.983 4.590 7.158 1.00 0.00 H new ATOM 0 HA VAL A 88 0.410 2.094 7.134 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.817 4.013 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.005 4.974 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.105 5.318 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.517 4.053 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.339 2.903 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.117 1.894 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.218 1.737 5.312 1.00 0.00 H new ATOM 1348 N ARG A 89 1.942 0.979 5.433 1.00 0.00 N ATOM 1349 CA ARG A 89 2.984 0.261 4.708 1.00 0.00 C ATOM 1350 C ARG A 89 2.380 -0.611 3.611 1.00 0.00 C ATOM 1351 O ARG A 89 1.668 -1.577 3.892 1.00 0.00 O ATOM 1352 CB ARG A 89 3.801 -0.603 5.670 1.00 0.00 C ATOM 1353 CG ARG A 89 4.728 -1.583 4.970 1.00 0.00 C ATOM 1354 CD ARG A 89 5.058 -2.771 5.860 1.00 0.00 C ATOM 1355 NE ARG A 89 5.772 -2.367 7.069 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.447 -3.211 7.840 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.501 -4.499 7.530 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.071 -2.768 8.924 1.00 0.00 N ATOM 0 H ARG A 89 1.095 0.436 5.603 1.00 0.00 H new ATOM 0 HA ARG A 89 3.641 0.996 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.393 0.046 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.120 -1.158 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.260 -1.935 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.649 -1.074 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.137 -3.283 6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.664 -3.485 5.302 1.00 0.00 H new ATOM 0 HE ARG A 89 5.751 -1.383 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.023 -4.844 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.020 -5.145 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.032 -1.778 9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.589 -3.418 9.515 1.00 0.00 H new ATOM 1372 N LEU A 90 2.668 -0.266 2.361 1.00 0.00 N ATOM 1373 CA LEU A 90 2.154 -1.017 1.222 1.00 0.00 C ATOM 1374 C LEU A 90 3.284 -1.417 0.279 1.00 0.00 C ATOM 1375 O LEU A 90 4.277 -0.701 0.143 1.00 0.00 O ATOM 1376 CB LEU A 90 1.114 -0.187 0.466 1.00 0.00 C ATOM 1377 CG LEU A 90 1.275 1.331 0.553 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.865 1.987 -0.756 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.458 1.889 1.710 1.00 0.00 C ATOM 0 H LEU A 90 3.255 0.530 2.111 1.00 0.00 H new ATOM 0 HA LEU A 90 1.682 -1.924 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.142 -0.476 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.125 -0.450 0.842 1.00 0.00 H new ATOM 0 HG LEU A 90 2.326 1.556 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.986 3.067 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.493 1.611 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.178 1.754 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.585 2.971 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.595 1.653 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.799 1.443 2.644 1.00 0.00 H new ATOM 1391 N LEU A 91 3.126 -2.564 -0.372 1.00 0.00 N ATOM 1392 CA LEU A 91 4.132 -3.060 -1.305 1.00 0.00 C ATOM 1393 C LEU A 91 3.928 -2.462 -2.694 1.00 0.00 C ATOM 1394 O LEU A 91 2.944 -2.761 -3.372 1.00 0.00 O ATOM 1395 CB LEU A 91 4.077 -4.587 -1.382 1.00 0.00 C ATOM 1396 CG LEU A 91 5.327 -5.276 -1.931 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.127 -6.783 -1.979 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.670 -4.737 -3.312 1.00 0.00 C ATOM 0 H LEU A 91 2.311 -3.168 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 91 5.113 -2.756 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.882 -4.975 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.228 -4.869 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 91 6.161 -5.062 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.026 -7.257 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.930 -7.156 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.281 -7.017 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.562 -5.239 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.838 -4.921 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.856 -3.665 -3.248 1.00 0.00 H new ATOM 1410 N LEU A 92 4.865 -1.618 -3.112 1.00 0.00 N ATOM 1411 CA LEU A 92 4.790 -0.980 -4.422 1.00 0.00 C ATOM 1412 C LEU A 92 6.015 -1.319 -5.264 1.00 0.00 C ATOM 1413 O LEU A 92 7.069 -1.670 -4.733 1.00 0.00 O ATOM 1414 CB LEU A 92 4.668 0.537 -4.265 1.00 0.00 C ATOM 1415 CG LEU A 92 4.169 1.301 -5.493 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.653 1.230 -5.585 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.636 2.748 -5.446 1.00 0.00 C ATOM 0 H LEU A 92 5.685 -1.360 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 92 3.905 -1.359 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.993 0.743 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.645 0.933 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 92 4.588 0.834 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.316 1.779 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.342 0.189 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.213 1.672 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.272 3.277 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.246 3.227 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.725 2.778 -5.429 1.00 0.00 H new ATOM 1429 N LYS A 93 5.871 -1.210 -6.580 1.00 0.00 N ATOM 1430 CA LYS A 93 6.966 -1.501 -7.498 1.00 0.00 C ATOM 1431 C LYS A 93 7.344 -0.263 -8.305 1.00 0.00 C ATOM 1432 O LYS A 93 6.485 0.385 -8.904 1.00 0.00 O ATOM 1433 CB LYS A 93 6.577 -2.640 -8.443 1.00 0.00 C ATOM 1434 CG LYS A 93 5.867 -3.790 -7.750 1.00 0.00 C ATOM 1435 CD LYS A 93 4.885 -4.481 -8.681 1.00 0.00 C ATOM 1436 CE LYS A 93 5.409 -4.528 -10.108 1.00 0.00 C ATOM 1437 NZ LYS A 93 4.804 -5.645 -10.885 1.00 0.00 N ATOM 0 H LYS A 93 5.005 -0.922 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 93 7.830 -1.806 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.931 -2.245 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.475 -3.019 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.603 -4.512 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.338 -3.417 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.698 -5.495 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.930 -3.955 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.194 -3.582 -10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.493 -4.641 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.148 -5.612 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.072 -6.553 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.768 -5.551 -10.878 1.00 0.00 H new ATOM 1451 N ARG A 94 8.633 0.059 -8.317 1.00 0.00 N ATOM 1452 CA ARG A 94 9.124 1.219 -9.051 1.00 0.00 C ATOM 1453 C ARG A 94 9.916 0.788 -10.282 1.00 0.00 C ATOM 1454 O ARG A 94 10.659 -0.192 -10.244 1.00 0.00 O ATOM 1455 CB ARG A 94 9.999 2.088 -8.147 1.00 0.00 C ATOM 1456 CG ARG A 94 10.619 3.278 -8.861 1.00 0.00 C ATOM 1457 CD ARG A 94 9.636 4.433 -8.976 1.00 0.00 C ATOM 1458 NE ARG A 94 10.152 5.510 -9.817 1.00 0.00 N ATOM 1459 CZ ARG A 94 11.022 6.420 -9.393 1.00 0.00 C ATOM 1460 NH1 ARG A 94 11.470 6.384 -8.146 1.00 0.00 N ATOM 1461 NH2 ARG A 94 11.445 7.370 -10.218 1.00 0.00 N ATOM 0 H ARG A 94 9.356 -0.467 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 94 8.263 1.801 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.398 2.449 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.794 1.473 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.506 3.607 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.946 2.977 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.696 4.069 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.417 4.823 -7.982 1.00 0.00 H new ATOM 0 HE ARG A 94 9.827 5.566 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.147 5.656 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.138 7.084 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.102 7.402 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.113 8.068 -9.892 1.00 0.00 H new ATOM 1475 N GLY A 95 9.751 1.528 -11.375 1.00 0.00 N ATOM 1476 CA GLY A 95 10.456 1.207 -12.602 1.00 0.00 C ATOM 1477 C GLY A 95 11.870 1.751 -12.618 1.00 0.00 C ATOM 1478 O GLY A 95 12.400 2.095 -13.675 1.00 0.00 O ATOM 0 H GLY A 95 9.142 2.344 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.485 0.125 -12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.905 1.612 -13.451 1.00 0.00 H new ATOM 1482 N THR A 96 12.485 1.833 -11.442 1.00 0.00 N ATOM 1483 CA THR A 96 13.845 2.343 -11.323 1.00 0.00 C ATOM 1484 C THR A 96 14.850 1.374 -11.934 1.00 0.00 C ATOM 1485 O THR A 96 15.804 1.786 -12.593 1.00 0.00 O ATOM 1486 CB THR A 96 14.223 2.598 -9.852 1.00 0.00 C ATOM 1487 OG1 THR A 96 15.562 3.101 -9.771 1.00 0.00 O ATOM 1488 CG2 THR A 96 14.105 1.322 -9.034 1.00 0.00 C ATOM 0 H THR A 96 12.062 1.552 -10.557 1.00 0.00 H new ATOM 0 HA THR A 96 13.878 3.287 -11.867 1.00 0.00 H new ATOM 0 HB THR A 96 13.532 3.336 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.795 3.262 -8.833 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.377 1.527 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.078 0.958 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.775 0.565 -9.442 1.00 0.00 H new ATOM 1496 N GLY A 97 14.630 0.081 -11.711 1.00 0.00 N ATOM 1497 CA GLY A 97 15.526 -0.927 -12.247 1.00 0.00 C ATOM 1498 C GLY A 97 15.793 -0.737 -13.727 1.00 0.00 C ATOM 1499 O GLY A 97 16.875 -0.300 -14.119 1.00 0.00 O ATOM 0 H GLY A 97 13.848 -0.286 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.470 -0.895 -11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.096 -1.915 -12.082 1.00 0.00 H new ATOM 1503 N SER A 98 14.805 -1.068 -14.553 1.00 0.00 N ATOM 1504 CA SER A 98 14.941 -0.936 -15.999 1.00 0.00 C ATOM 1505 C SER A 98 14.393 0.405 -16.476 1.00 0.00 C ATOM 1506 O SER A 98 13.193 0.555 -16.699 1.00 0.00 O ATOM 1507 CB SER A 98 14.210 -2.079 -16.707 1.00 0.00 C ATOM 1508 OG SER A 98 14.802 -3.330 -16.401 1.00 0.00 O ATOM 0 H SER A 98 13.902 -1.429 -14.246 1.00 0.00 H new ATOM 0 HA SER A 98 16.002 -0.984 -16.245 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.162 -2.086 -16.407 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.232 -1.917 -17.785 1.00 0.00 H new ATOM 0 HG SER A 98 14.316 -4.044 -16.864 1.00 0.00 H new ATOM 1514 N GLY A 99 15.285 1.380 -16.631 1.00 0.00 N ATOM 1515 CA GLY A 99 14.873 2.697 -17.080 1.00 0.00 C ATOM 1516 C GLY A 99 15.142 2.916 -18.556 1.00 0.00 C ATOM 1517 O GLY A 99 16.264 3.210 -18.968 1.00 0.00 O ATOM 0 H GLY A 99 16.285 1.281 -16.454 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.809 2.828 -16.884 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.399 3.456 -16.501 1.00 0.00 H new ATOM 1521 N PRO A 100 14.094 2.770 -19.380 1.00 0.00 N ATOM 1522 CA PRO A 100 14.197 2.948 -20.832 1.00 0.00 C ATOM 1523 C PRO A 100 14.426 4.404 -21.222 1.00 0.00 C ATOM 1524 O PRO A 100 14.502 5.282 -20.363 1.00 0.00 O ATOM 1525 CB PRO A 100 12.839 2.464 -21.346 1.00 0.00 C ATOM 1526 CG PRO A 100 11.909 2.656 -20.199 1.00 0.00 C ATOM 1527 CD PRO A 100 12.727 2.420 -18.959 1.00 0.00 C ATOM 0 HA PRO A 100 15.044 2.405 -21.250 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.518 3.037 -22.216 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.881 1.418 -21.651 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.487 3.661 -20.203 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.073 1.959 -20.254 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.390 3.043 -18.131 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.662 1.384 -18.626 1.00 0.00 H new ATOM 1535 N SER A 101 14.536 4.653 -22.523 1.00 0.00 N ATOM 1536 CA SER A 101 14.760 6.003 -23.027 1.00 0.00 C ATOM 1537 C SER A 101 16.105 6.544 -22.553 1.00 0.00 C ATOM 1538 O SER A 101 16.221 7.711 -22.180 1.00 0.00 O ATOM 1539 CB SER A 101 13.634 6.933 -22.571 1.00 0.00 C ATOM 1540 OG SER A 101 12.368 6.438 -22.973 1.00 0.00 O ATOM 0 H SER A 101 14.474 3.937 -23.247 1.00 0.00 H new ATOM 0 HA SER A 101 14.769 5.961 -24.116 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.660 7.036 -21.486 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.788 7.928 -22.989 1.00 0.00 H new ATOM 0 HG SER A 101 11.666 7.050 -22.668 1.00 0.00 H new ATOM 1546 N SER A 102 17.120 5.685 -22.570 1.00 0.00 N ATOM 1547 CA SER A 102 18.457 6.074 -22.138 1.00 0.00 C ATOM 1548 C SER A 102 19.514 5.552 -23.107 1.00 0.00 C ATOM 1549 O SER A 102 19.452 4.407 -23.552 1.00 0.00 O ATOM 1550 CB SER A 102 18.735 5.546 -20.729 1.00 0.00 C ATOM 1551 OG SER A 102 17.892 6.169 -19.776 1.00 0.00 O ATOM 0 H SER A 102 17.041 4.716 -22.878 1.00 0.00 H new ATOM 0 HA SER A 102 18.506 7.163 -22.126 1.00 0.00 H new ATOM 0 HB2 SER A 102 18.582 4.467 -20.705 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.778 5.726 -20.469 1.00 0.00 H new ATOM 0 HG SER A 102 18.088 5.814 -18.884 1.00 0.00 H new ATOM 1557 N GLY A 103 20.484 6.402 -23.429 1.00 0.00 N ATOM 1558 CA GLY A 103 21.541 6.010 -24.343 1.00 0.00 C ATOM 1559 C GLY A 103 21.155 6.206 -25.795 1.00 0.00 C ATOM 1560 O GLY A 103 21.472 5.376 -26.647 1.00 0.00 O ATOM 0 H GLY A 103 20.557 7.355 -23.073 1.00 0.00 H new ATOM 0 HA2 GLY A 103 22.438 6.591 -24.127 1.00 0.00 H new ATOM 0 HA3 GLY A 103 21.792 4.963 -24.175 1.00 0.00 H new TER 1564 GLY A 103