USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 457 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 10 GLN : amide:sc= -0.597 X(o=0.48,f=0.57) USER MOD Set 1.2: A 14 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -153:sc= -0.24 (180deg=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 24 MET CE :methyl 180:sc= -0.0313 (180deg=-0.0313) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -144:sc= 1.02 USER MOD Single : A 53 HIS : no HE2:sc= -0.181 X(o=-0.18,f=-0.32) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.493 USER MOD Single : A 55 THR OG1 : rot 51:sc= 0.0862 USER MOD Single : A 58 TYR OH : rot -108:sc= 0.774 USER MOD Single : A 60 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.858 8.729 2.280 1.00 3.43 N ATOM 2 CA GLY A 1 20.800 7.917 3.503 1.00 12.33 C ATOM 3 C GLY A 1 21.417 6.548 3.326 1.00 33.54 C ATOM 4 O GLY A 1 22.196 6.108 4.172 1.00 51.14 O ATOM 0 H1 GLY A 1 20.422 9.656 2.458 1.00 3.43 H new ATOM 0 H2 GLY A 1 21.850 8.862 1.998 1.00 3.43 H new ATOM 0 H3 GLY A 1 20.343 8.245 1.517 1.00 3.43 H new ATOM 0 HA2 GLY A 1 21.316 8.442 4.307 1.00 12.33 H new ATOM 0 HA3 GLY A 1 19.760 7.805 3.811 1.00 12.33 H new ATOM 8 N ASP A 2 21.040 5.824 2.273 1.00 32.54 N ATOM 9 CA ASP A 2 21.745 4.616 1.853 1.00 42.14 C ATOM 10 C ASP A 2 23.225 4.901 1.607 1.00 25.13 C ATOM 11 O ASP A 2 23.628 6.031 1.320 1.00 64.22 O ATOM 12 CB ASP A 2 21.145 4.049 0.558 1.00 65.14 C ATOM 13 CG ASP A 2 21.195 5.073 -0.570 1.00 11.20 C ATOM 14 OD1 ASP A 2 20.224 5.868 -0.624 1.00 73.54 O ATOM 15 OD2 ASP A 2 22.204 5.187 -1.295 1.00 30.11 O ATOM 0 H ASP A 2 20.238 6.059 1.688 1.00 32.54 H new ATOM 0 HA ASP A 2 21.637 3.891 2.659 1.00 42.14 H new ATOM 0 HB2 ASP A 2 21.691 3.153 0.263 1.00 65.14 H new ATOM 0 HB3 ASP A 2 20.112 3.749 0.734 1.00 65.14 H new ATOM 19 N ASP A 3 24.002 3.824 1.673 1.00 11.44 N ATOM 20 CA ASP A 3 25.396 3.727 1.264 1.00 10.01 C ATOM 21 C ASP A 3 25.595 2.427 0.482 1.00 21.12 C ATOM 22 O ASP A 3 26.127 2.450 -0.628 1.00 72.50 O ATOM 23 CB ASP A 3 26.356 3.830 2.466 1.00 21.24 C ATOM 24 CG ASP A 3 26.517 2.524 3.247 1.00 21.22 C ATOM 25 OD1 ASP A 3 25.519 2.047 3.834 1.00 21.42 O ATOM 26 OD2 ASP A 3 27.632 1.947 3.235 1.00 72.40 O ATOM 0 H ASP A 3 23.650 2.939 2.038 1.00 11.44 H new ATOM 0 HA ASP A 3 25.637 4.570 0.617 1.00 10.01 H new ATOM 0 HB2 ASP A 3 27.335 4.151 2.110 1.00 21.24 H new ATOM 0 HB3 ASP A 3 25.993 4.604 3.143 1.00 21.24 H new ATOM 30 N ARG A 4 25.150 1.285 1.021 1.00 33.22 N ATOM 31 CA ARG A 4 25.423 -0.028 0.463 1.00 74.20 C ATOM 32 C ARG A 4 24.446 -1.025 1.075 1.00 11.11 C ATOM 33 O ARG A 4 24.753 -1.689 2.071 1.00 3.14 O ATOM 34 CB ARG A 4 26.892 -0.392 0.729 1.00 2.13 C ATOM 35 CG ARG A 4 27.300 -1.659 -0.024 1.00 43.02 C ATOM 36 CD ARG A 4 28.794 -1.881 0.189 1.00 50.01 C ATOM 37 NE ARG A 4 29.257 -3.094 -0.491 1.00 71.21 N ATOM 38 CZ ARG A 4 30.445 -3.256 -1.078 1.00 53.30 C ATOM 39 NH1 ARG A 4 31.416 -2.361 -0.891 1.00 74.22 N ATOM 40 NH2 ARG A 4 30.647 -4.315 -1.856 1.00 63.40 N ATOM 0 H ARG A 4 24.583 1.256 1.869 1.00 33.22 H new ATOM 0 HA ARG A 4 25.280 -0.043 -0.617 1.00 74.20 H new ATOM 0 HB2 ARG A 4 27.534 0.435 0.426 1.00 2.13 H new ATOM 0 HB3 ARG A 4 27.044 -0.538 1.798 1.00 2.13 H new ATOM 0 HG2 ARG A 4 26.733 -2.516 0.339 1.00 43.02 H new ATOM 0 HG3 ARG A 4 27.079 -1.557 -1.086 1.00 43.02 H new ATOM 0 HD2 ARG A 4 29.348 -1.019 -0.183 1.00 50.01 H new ATOM 0 HD3 ARG A 4 29.003 -1.958 1.256 1.00 50.01 H new ATOM 0 HE ARG A 4 28.614 -3.885 -0.518 1.00 71.21 H new ATOM 0 HH11 ARG A 4 31.253 -1.548 -0.297 1.00 74.22 H new ATOM 0 HH12 ARG A 4 32.322 -2.490 -1.342 1.00 74.22 H new ATOM 0 HH21 ARG A 4 29.898 -4.993 -1.999 1.00 63.40 H new ATOM 0 HH22 ARG A 4 31.551 -4.449 -2.310 1.00 63.40 H new ATOM 51 N LYS A 5 23.248 -1.105 0.506 1.00 14.01 N ATOM 52 CA LYS A 5 22.210 -2.063 0.857 1.00 22.25 C ATOM 53 C LYS A 5 21.236 -2.196 -0.309 1.00 42.13 C ATOM 54 O LYS A 5 21.420 -1.547 -1.344 1.00 31.25 O ATOM 55 CB LYS A 5 21.463 -1.582 2.109 1.00 70.41 C ATOM 56 CG LYS A 5 21.406 -2.658 3.195 1.00 1.05 C ATOM 57 CD LYS A 5 20.307 -2.326 4.212 1.00 33.42 C ATOM 58 CE LYS A 5 20.596 -2.936 5.581 1.00 13.11 C ATOM 59 NZ LYS A 5 21.550 -2.121 6.355 1.00 43.13 N ATOM 0 H LYS A 5 22.963 -0.476 -0.245 1.00 14.01 H new ATOM 0 HA LYS A 5 22.662 -3.033 1.066 1.00 22.25 H new ATOM 0 HB2 LYS A 5 21.955 -0.694 2.505 1.00 70.41 H new ATOM 0 HB3 LYS A 5 20.449 -1.290 1.836 1.00 70.41 H new ATOM 0 HG2 LYS A 5 21.212 -3.631 2.743 1.00 1.05 H new ATOM 0 HG3 LYS A 5 22.370 -2.727 3.700 1.00 1.05 H new ATOM 0 HD2 LYS A 5 20.216 -1.244 4.308 1.00 33.42 H new ATOM 0 HD3 LYS A 5 19.349 -2.695 3.845 1.00 33.42 H new ATOM 0 HE2 LYS A 5 19.665 -3.033 6.139 1.00 13.11 H new ATOM 0 HE3 LYS A 5 20.997 -3.941 5.453 1.00 13.11 H new ATOM 0 HZ1 LYS A 5 21.720 -2.569 7.278 1.00 43.13 H new ATOM 0 HZ2 LYS A 5 22.447 -2.049 5.834 1.00 43.13 H new ATOM 0 HZ3 LYS A 5 21.156 -1.169 6.499 1.00 43.13 H new ATOM 69 N LEU A 6 20.184 -2.993 -0.117 1.00 70.31 N ATOM 70 CA LEU A 6 19.093 -3.183 -1.063 1.00 70.20 C ATOM 71 C LEU A 6 17.849 -2.540 -0.477 1.00 11.01 C ATOM 72 O LEU A 6 17.505 -2.850 0.668 1.00 52.03 O ATOM 73 CB LEU A 6 18.837 -4.688 -1.266 1.00 12.25 C ATOM 74 CG LEU A 6 20.087 -5.502 -1.628 1.00 53.24 C ATOM 75 CD1 LEU A 6 19.694 -6.966 -1.829 1.00 63.54 C ATOM 76 CD2 LEU A 6 20.767 -4.922 -2.868 1.00 23.25 C ATOM 0 H LEU A 6 20.068 -3.543 0.734 1.00 70.31 H new ATOM 0 HA LEU A 6 19.345 -2.733 -2.023 1.00 70.20 H new ATOM 0 HB2 LEU A 6 18.404 -5.097 -0.353 1.00 12.25 H new ATOM 0 HB3 LEU A 6 18.095 -4.815 -2.055 1.00 12.25 H new ATOM 0 HG LEU A 6 20.809 -5.447 -0.813 1.00 53.24 H new ATOM 0 HD11 LEU A 6 20.579 -7.548 -2.086 1.00 63.54 H new ATOM 0 HD12 LEU A 6 19.258 -7.355 -0.909 1.00 63.54 H new ATOM 0 HD13 LEU A 6 18.964 -7.039 -2.635 1.00 63.54 H new ATOM 0 HD21 LEU A 6 21.651 -5.513 -3.108 1.00 23.25 H new ATOM 0 HD22 LEU A 6 20.074 -4.948 -3.709 1.00 23.25 H new ATOM 0 HD23 LEU A 6 21.062 -3.891 -2.673 1.00 23.25 H new ATOM 87 N MET A 7 17.137 -1.715 -1.242 1.00 4.33 N ATOM 88 CA MET A 7 15.834 -1.197 -0.849 1.00 10.34 C ATOM 89 C MET A 7 14.786 -2.313 -0.907 1.00 73.44 C ATOM 90 O MET A 7 15.075 -3.449 -1.307 1.00 4.12 O ATOM 91 CB MET A 7 15.440 -0.026 -1.765 1.00 33.11 C ATOM 92 CG MET A 7 16.450 1.128 -1.752 1.00 33.54 C ATOM 93 SD MET A 7 16.869 1.806 -0.120 1.00 5.32 S ATOM 94 CE MET A 7 15.204 2.035 0.543 1.00 13.41 C ATOM 0 H MET A 7 17.452 -1.387 -2.155 1.00 4.33 H new ATOM 0 HA MET A 7 15.886 -0.831 0.176 1.00 10.34 H new ATOM 0 HB2 MET A 7 15.333 -0.394 -2.786 1.00 33.11 H new ATOM 0 HB3 MET A 7 14.465 0.352 -1.459 1.00 33.11 H new ATOM 0 HG2 MET A 7 17.369 0.785 -2.227 1.00 33.54 H new ATOM 0 HG3 MET A 7 16.055 1.936 -2.368 1.00 33.54 H new ATOM 0 HE1 MET A 7 15.213 2.840 1.278 1.00 13.41 H new ATOM 0 HE2 MET A 7 14.522 2.291 -0.268 1.00 13.41 H new ATOM 0 HE3 MET A 7 14.872 1.112 1.019 1.00 13.41 H new ATOM 102 N LYS A 8 13.555 -2.013 -0.500 1.00 50.13 N ATOM 103 CA LYS A 8 12.418 -2.900 -0.751 1.00 22.41 C ATOM 104 C LYS A 8 12.061 -2.843 -2.239 1.00 73.50 C ATOM 105 O LYS A 8 12.425 -1.882 -2.922 1.00 13.02 O ATOM 106 CB LYS A 8 11.214 -2.525 0.123 1.00 53.30 C ATOM 107 CG LYS A 8 11.501 -2.720 1.618 1.00 24.25 C ATOM 108 CD LYS A 8 10.219 -2.544 2.444 1.00 74.52 C ATOM 109 CE LYS A 8 10.487 -2.131 3.895 1.00 30.55 C ATOM 110 NZ LYS A 8 11.005 -3.218 4.746 1.00 13.35 N ATOM 0 H LYS A 8 13.317 -1.160 0.007 1.00 50.13 H new ATOM 0 HA LYS A 8 12.695 -3.920 -0.486 1.00 22.41 H new ATOM 0 HB2 LYS A 8 10.943 -1.485 -0.061 1.00 53.30 H new ATOM 0 HB3 LYS A 8 10.356 -3.133 -0.163 1.00 53.30 H new ATOM 0 HG2 LYS A 8 11.915 -3.714 1.787 1.00 24.25 H new ATOM 0 HG3 LYS A 8 12.252 -2.002 1.946 1.00 24.25 H new ATOM 0 HD2 LYS A 8 9.589 -1.791 1.969 1.00 74.52 H new ATOM 0 HD3 LYS A 8 9.659 -3.479 2.437 1.00 74.52 H new ATOM 0 HE2 LYS A 8 11.202 -1.308 3.901 1.00 30.55 H new ATOM 0 HE3 LYS A 8 9.562 -1.753 4.330 1.00 30.55 H new ATOM 0 HZ1 LYS A 8 11.160 -2.860 5.710 1.00 13.35 H new ATOM 0 HZ2 LYS A 8 10.316 -3.996 4.773 1.00 13.35 H new ATOM 0 HZ3 LYS A 8 11.905 -3.565 4.356 1.00 13.35 H new ATOM 120 N THR A 9 11.324 -3.830 -2.744 1.00 22.34 N ATOM 121 CA THR A 9 10.904 -3.875 -4.142 1.00 65.54 C ATOM 122 C THR A 9 9.388 -3.724 -4.247 1.00 5.41 C ATOM 123 O THR A 9 8.676 -3.708 -3.239 1.00 25.55 O ATOM 124 CB THR A 9 11.396 -5.172 -4.815 1.00 14.33 C ATOM 125 OG1 THR A 9 10.837 -6.288 -4.162 1.00 30.51 O ATOM 126 CG2 THR A 9 12.921 -5.287 -4.813 1.00 52.30 C ATOM 0 H THR A 9 11.000 -4.624 -2.192 1.00 22.34 H new ATOM 0 HA THR A 9 11.358 -3.038 -4.673 1.00 65.54 H new ATOM 0 HB THR A 9 11.071 -5.142 -5.855 1.00 14.33 H new ATOM 0 HG1 THR A 9 11.150 -7.110 -4.593 1.00 30.51 H new ATOM 0 HG21 THR A 9 13.216 -6.217 -5.298 1.00 52.30 H new ATOM 0 HG22 THR A 9 13.350 -4.444 -5.354 1.00 52.30 H new ATOM 0 HG23 THR A 9 13.285 -5.282 -3.786 1.00 52.30 H new ATOM 134 N GLN A 10 8.900 -3.655 -5.489 1.00 71.52 N ATOM 135 CA GLN A 10 7.485 -3.602 -5.821 1.00 45.32 C ATOM 136 C GLN A 10 6.742 -4.756 -5.150 1.00 21.15 C ATOM 137 O GLN A 10 5.637 -4.543 -4.655 1.00 50.30 O ATOM 138 CB GLN A 10 7.339 -3.652 -7.351 1.00 10.34 C ATOM 139 CG GLN A 10 6.027 -3.065 -7.893 1.00 52.31 C ATOM 140 CD GLN A 10 4.793 -3.883 -7.535 1.00 11.05 C ATOM 141 OE1 GLN A 10 4.798 -5.109 -7.649 1.00 34.44 O ATOM 142 NE2 GLN A 10 3.714 -3.221 -7.161 1.00 61.44 N ATOM 0 H GLN A 10 9.502 -3.634 -6.312 1.00 71.52 H new ATOM 0 HA GLN A 10 7.045 -2.675 -5.453 1.00 45.32 H new ATOM 0 HB2 GLN A 10 8.174 -3.113 -7.799 1.00 10.34 H new ATOM 0 HB3 GLN A 10 7.418 -4.690 -7.676 1.00 10.34 H new ATOM 0 HG2 GLN A 10 5.905 -2.053 -7.506 1.00 52.31 H new ATOM 0 HG3 GLN A 10 6.096 -2.985 -8.978 1.00 52.31 H new ATOM 0 HE21 GLN A 10 3.743 -2.205 -7.076 1.00 61.44 H new ATOM 0 HE22 GLN A 10 2.851 -3.726 -6.957 1.00 61.44 H new ATOM 149 N GLU A 11 7.349 -5.949 -5.124 1.00 70.32 N ATOM 150 CA GLU A 11 6.809 -7.110 -4.443 1.00 72.23 C ATOM 151 C GLU A 11 6.550 -6.764 -2.993 1.00 44.11 C ATOM 152 O GLU A 11 5.385 -6.727 -2.610 1.00 33.41 O ATOM 153 CB GLU A 11 7.764 -8.306 -4.541 1.00 43.33 C ATOM 154 CG GLU A 11 7.689 -8.963 -5.920 1.00 63.44 C ATOM 155 CD GLU A 11 8.177 -10.408 -5.885 1.00 13.25 C ATOM 156 OE1 GLU A 11 9.382 -10.631 -5.630 1.00 74.52 O ATOM 157 OE2 GLU A 11 7.318 -11.297 -6.081 1.00 23.45 O ATOM 0 H GLU A 11 8.241 -6.127 -5.585 1.00 70.32 H new ATOM 0 HA GLU A 11 5.873 -7.393 -4.925 1.00 72.23 H new ATOM 0 HB2 GLU A 11 8.785 -7.976 -4.348 1.00 43.33 H new ATOM 0 HB3 GLU A 11 7.514 -9.038 -3.773 1.00 43.33 H new ATOM 0 HG2 GLU A 11 6.661 -8.935 -6.281 1.00 63.44 H new ATOM 0 HG3 GLU A 11 8.291 -8.393 -6.628 1.00 63.44 H new ATOM 162 N GLU A 12 7.608 -6.480 -2.228 1.00 73.42 N ATOM 163 CA GLU A 12 7.525 -6.381 -0.785 1.00 13.23 C ATOM 164 C GLU A 12 6.531 -5.295 -0.408 1.00 44.12 C ATOM 165 O GLU A 12 5.625 -5.545 0.381 1.00 32.44 O ATOM 166 CB GLU A 12 8.898 -6.080 -0.177 1.00 14.13 C ATOM 167 CG GLU A 12 9.951 -7.129 -0.566 1.00 51.13 C ATOM 168 CD GLU A 12 11.249 -6.984 0.236 1.00 22.24 C ATOM 169 OE1 GLU A 12 11.357 -6.122 1.131 1.00 4.11 O ATOM 170 OE2 GLU A 12 12.197 -7.759 -0.039 1.00 72.54 O ATOM 0 H GLU A 12 8.543 -6.314 -2.601 1.00 73.42 H new ATOM 0 HA GLU A 12 7.185 -7.337 -0.387 1.00 13.23 H new ATOM 0 HB2 GLU A 12 9.231 -5.095 -0.506 1.00 14.13 H new ATOM 0 HB3 GLU A 12 8.811 -6.041 0.909 1.00 14.13 H new ATOM 0 HG2 GLU A 12 9.540 -8.126 -0.409 1.00 51.13 H new ATOM 0 HG3 GLU A 12 10.173 -7.039 -1.629 1.00 51.13 H new ATOM 175 N LEU A 13 6.648 -4.100 -1.004 1.00 44.03 N ATOM 176 CA LEU A 13 5.749 -3.004 -0.668 1.00 24.32 C ATOM 177 C LEU A 13 4.293 -3.420 -0.901 1.00 65.10 C ATOM 178 O LEU A 13 3.448 -3.075 -0.074 1.00 33.41 O ATOM 179 CB LEU A 13 6.087 -1.711 -1.458 1.00 51.24 C ATOM 180 CG LEU A 13 7.219 -0.774 -0.977 1.00 43.32 C ATOM 181 CD1 LEU A 13 7.541 -0.928 0.508 1.00 14.43 C ATOM 182 CD2 LEU A 13 8.499 -0.882 -1.810 1.00 33.32 C ATOM 0 H LEU A 13 7.349 -3.876 -1.711 1.00 44.03 H new ATOM 0 HA LEU A 13 5.886 -2.777 0.389 1.00 24.32 H new ATOM 0 HB2 LEU A 13 6.328 -2.010 -2.478 1.00 51.24 H new ATOM 0 HB3 LEU A 13 5.175 -1.116 -1.507 1.00 51.24 H new ATOM 0 HG LEU A 13 6.814 0.227 -1.128 1.00 43.32 H new ATOM 0 HD11 LEU A 13 8.343 -0.242 0.779 1.00 14.43 H new ATOM 0 HD12 LEU A 13 6.654 -0.700 1.098 1.00 14.43 H new ATOM 0 HD13 LEU A 13 7.856 -1.952 0.708 1.00 14.43 H new ATOM 0 HD21 LEU A 13 9.249 -0.197 -1.415 1.00 33.32 H new ATOM 0 HD22 LEU A 13 8.879 -1.902 -1.762 1.00 33.32 H new ATOM 0 HD23 LEU A 13 8.281 -0.624 -2.846 1.00 33.32 H new ATOM 193 N THR A 14 3.998 -4.159 -1.975 1.00 24.35 N ATOM 194 CA THR A 14 2.657 -4.658 -2.251 1.00 65.33 C ATOM 195 C THR A 14 2.265 -5.749 -1.247 1.00 1.04 C ATOM 196 O THR A 14 1.200 -5.631 -0.646 1.00 2.41 O ATOM 197 CB THR A 14 2.555 -5.154 -3.705 1.00 73.20 C ATOM 198 OG1 THR A 14 3.026 -4.170 -4.597 1.00 74.54 O ATOM 199 CG2 THR A 14 1.111 -5.450 -4.120 1.00 3.12 C ATOM 0 H THR A 14 4.688 -4.426 -2.677 1.00 24.35 H new ATOM 0 HA THR A 14 1.948 -3.839 -2.132 1.00 65.33 H new ATOM 0 HB THR A 14 3.152 -6.065 -3.749 1.00 73.20 H new ATOM 0 HG1 THR A 14 3.999 -4.087 -4.509 1.00 74.54 H new ATOM 0 HG21 THR A 14 1.093 -5.796 -5.153 1.00 3.12 H new ATOM 0 HG22 THR A 14 0.697 -6.222 -3.471 1.00 3.12 H new ATOM 0 HG23 THR A 14 0.514 -4.543 -4.031 1.00 3.12 H new ATOM 207 N GLU A 15 3.084 -6.794 -1.062 1.00 4.02 N ATOM 208 CA GLU A 15 2.825 -7.953 -0.200 1.00 21.23 C ATOM 209 C GLU A 15 2.495 -7.506 1.214 1.00 11.05 C ATOM 210 O GLU A 15 1.557 -8.023 1.809 1.00 61.20 O ATOM 211 CB GLU A 15 4.066 -8.862 -0.137 1.00 23.41 C ATOM 212 CG GLU A 15 4.325 -9.664 -1.417 1.00 21.15 C ATOM 213 CD GLU A 15 5.680 -10.382 -1.377 1.00 52.43 C ATOM 214 OE1 GLU A 15 6.718 -9.695 -1.244 1.00 62.40 O ATOM 215 OE2 GLU A 15 5.708 -11.616 -1.577 1.00 14.01 O ATOM 0 H GLU A 15 3.987 -6.856 -1.532 1.00 4.02 H new ATOM 0 HA GLU A 15 1.981 -8.497 -0.624 1.00 21.23 H new ATOM 0 HB2 GLU A 15 4.941 -8.248 0.077 1.00 23.41 H new ATOM 0 HB3 GLU A 15 3.952 -9.556 0.696 1.00 23.41 H new ATOM 0 HG2 GLU A 15 3.530 -10.397 -1.554 1.00 21.15 H new ATOM 0 HG3 GLU A 15 4.294 -8.995 -2.277 1.00 21.15 H new ATOM 220 N ILE A 16 3.232 -6.528 1.734 1.00 52.00 N ATOM 221 CA ILE A 16 3.008 -5.922 3.034 1.00 62.54 C ATOM 222 C ILE A 16 1.556 -5.421 3.113 1.00 13.03 C ATOM 223 O ILE A 16 0.804 -5.787 4.020 1.00 64.43 O ATOM 224 CB ILE A 16 4.055 -4.788 3.203 1.00 21.52 C ATOM 225 CG1 ILE A 16 5.498 -5.305 3.407 1.00 5.21 C ATOM 226 CG2 ILE A 16 3.695 -3.892 4.385 1.00 25.32 C ATOM 227 CD1 ILE A 16 6.607 -4.264 3.183 1.00 3.35 C ATOM 0 H ILE A 16 4.029 -6.125 1.241 1.00 52.00 H new ATOM 0 HA ILE A 16 3.136 -6.632 3.851 1.00 62.54 H new ATOM 0 HB ILE A 16 4.028 -4.228 2.268 1.00 21.52 H new ATOM 0 HG12 ILE A 16 5.587 -5.694 4.421 1.00 5.21 H new ATOM 0 HG13 ILE A 16 5.666 -6.142 2.729 1.00 5.21 H new ATOM 0 HG21 ILE A 16 4.442 -3.104 4.485 1.00 25.32 H new ATOM 0 HG22 ILE A 16 2.716 -3.444 4.217 1.00 25.32 H new ATOM 0 HG23 ILE A 16 3.670 -4.487 5.298 1.00 25.32 H new ATOM 0 HD11 ILE A 16 7.580 -4.727 3.351 1.00 3.35 H new ATOM 0 HD12 ILE A 16 6.554 -3.891 2.160 1.00 3.35 H new ATOM 0 HD13 ILE A 16 6.474 -3.436 3.879 1.00 3.35 H new ATOM 238 N VAL A 17 1.167 -4.556 2.175 1.00 4.14 N ATOM 239 CA VAL A 17 -0.128 -3.884 2.142 1.00 71.53 C ATOM 240 C VAL A 17 -1.261 -4.894 1.924 1.00 65.44 C ATOM 241 O VAL A 17 -2.352 -4.736 2.481 1.00 62.41 O ATOM 242 CB VAL A 17 -0.073 -2.812 1.035 1.00 12.43 C ATOM 243 CG1 VAL A 17 -1.442 -2.188 0.763 1.00 43.43 C ATOM 244 CG2 VAL A 17 0.896 -1.684 1.406 1.00 12.31 C ATOM 0 H VAL A 17 1.767 -4.297 1.392 1.00 4.14 H new ATOM 0 HA VAL A 17 -0.338 -3.401 3.096 1.00 71.53 H new ATOM 0 HB VAL A 17 0.270 -3.327 0.138 1.00 12.43 H new ATOM 0 HG11 VAL A 17 -1.351 -1.439 -0.024 1.00 43.43 H new ATOM 0 HG12 VAL A 17 -2.139 -2.964 0.447 1.00 43.43 H new ATOM 0 HG13 VAL A 17 -1.813 -1.715 1.672 1.00 43.43 H new ATOM 0 HG21 VAL A 17 0.914 -0.943 0.607 1.00 12.31 H new ATOM 0 HG22 VAL A 17 0.567 -1.212 2.332 1.00 12.31 H new ATOM 0 HG23 VAL A 17 1.896 -2.094 1.543 1.00 12.31 H new ATOM 254 N ARG A 18 -1.009 -5.911 1.098 1.00 41.02 N ATOM 255 CA ARG A 18 -1.861 -7.072 0.899 1.00 33.23 C ATOM 256 C ARG A 18 -2.096 -7.733 2.244 1.00 5.01 C ATOM 257 O ARG A 18 -3.235 -7.754 2.687 1.00 62.52 O ATOM 258 CB ARG A 18 -1.181 -8.012 -0.119 1.00 70.21 C ATOM 259 CG ARG A 18 -2.104 -8.409 -1.271 1.00 62.20 C ATOM 260 CD ARG A 18 -1.321 -9.312 -2.233 1.00 5.05 C ATOM 261 NE ARG A 18 -2.001 -9.411 -3.532 1.00 63.13 N ATOM 262 CZ ARG A 18 -1.640 -8.866 -4.696 1.00 24.23 C ATOM 263 NH1 ARG A 18 -0.434 -8.338 -4.871 1.00 21.35 N ATOM 264 NH2 ARG A 18 -2.496 -8.838 -5.709 1.00 74.14 N ATOM 0 H ARG A 18 -0.165 -5.944 0.526 1.00 41.02 H new ATOM 0 HA ARG A 18 -2.834 -6.797 0.493 1.00 33.23 H new ATOM 0 HB2 ARG A 18 -0.295 -7.522 -0.522 1.00 70.21 H new ATOM 0 HB3 ARG A 18 -0.842 -8.912 0.395 1.00 70.21 H new ATOM 0 HG2 ARG A 18 -2.981 -8.932 -0.890 1.00 62.20 H new ATOM 0 HG3 ARG A 18 -2.463 -7.521 -1.792 1.00 62.20 H new ATOM 0 HD2 ARG A 18 -0.316 -8.915 -2.374 1.00 5.05 H new ATOM 0 HD3 ARG A 18 -1.213 -10.306 -1.798 1.00 5.05 H new ATOM 0 HE ARG A 18 -2.857 -9.966 -3.546 1.00 63.13 H new ATOM 0 HH11 ARG A 18 0.241 -8.343 -4.106 1.00 21.35 H new ATOM 0 HH12 ARG A 18 -0.183 -7.928 -5.770 1.00 21.35 H new ATOM 0 HH21 ARG A 18 -3.430 -9.233 -5.599 1.00 74.14 H new ATOM 0 HH22 ARG A 18 -2.220 -8.422 -6.598 1.00 74.14 H new ATOM 275 N ASP A 19 -1.044 -8.203 2.913 1.00 42.22 N ATOM 276 CA ASP A 19 -1.166 -9.010 4.124 1.00 42.20 C ATOM 277 C ASP A 19 -1.838 -8.259 5.273 1.00 24.15 C ATOM 278 O ASP A 19 -2.533 -8.873 6.080 1.00 70.14 O ATOM 279 CB ASP A 19 0.195 -9.565 4.564 1.00 54.24 C ATOM 280 CG ASP A 19 0.007 -10.758 5.510 1.00 2.21 C ATOM 281 OD1 ASP A 19 -0.568 -11.780 5.069 1.00 31.03 O ATOM 282 OD2 ASP A 19 0.472 -10.692 6.675 1.00 11.41 O ATOM 0 H ASP A 19 -0.079 -8.033 2.628 1.00 42.22 H new ATOM 0 HA ASP A 19 -1.817 -9.846 3.867 1.00 42.20 H new ATOM 0 HB2 ASP A 19 0.769 -9.873 3.690 1.00 54.24 H new ATOM 0 HB3 ASP A 19 0.769 -8.784 5.063 1.00 54.24 H new ATOM 286 N HIS A 20 -1.701 -6.927 5.346 1.00 12.13 N ATOM 287 CA HIS A 20 -2.461 -6.155 6.321 1.00 24.23 C ATOM 288 C HIS A 20 -3.963 -6.231 6.016 1.00 30.42 C ATOM 289 O HIS A 20 -4.772 -6.399 6.931 1.00 31.15 O ATOM 290 CB HIS A 20 -1.989 -4.691 6.342 1.00 1.13 C ATOM 291 CG HIS A 20 -0.606 -4.473 6.916 1.00 11.54 C ATOM 292 ND1 HIS A 20 -0.153 -4.885 8.152 1.00 62.01 N ATOM 293 CD2 HIS A 20 0.405 -3.759 6.330 1.00 45.34 C ATOM 294 CE1 HIS A 20 1.102 -4.433 8.296 1.00 3.54 C ATOM 295 NE2 HIS A 20 1.486 -3.725 7.219 1.00 63.42 N ATOM 0 H HIS A 20 -1.082 -6.377 4.751 1.00 12.13 H new ATOM 0 HA HIS A 20 -2.287 -6.585 7.307 1.00 24.23 H new ATOM 0 HB2 HIS A 20 -2.008 -4.304 5.323 1.00 1.13 H new ATOM 0 HB3 HIS A 20 -2.702 -4.103 6.920 1.00 1.13 H new ATOM 0 HD2 HIS A 20 0.374 -3.302 5.352 1.00 45.34 H new ATOM 0 HE1 HIS A 20 1.722 -4.614 9.162 1.00 3.54 H new ATOM 0 HE2 HIS A 20 2.382 -3.258 7.079 1.00 63.42 H new ATOM 302 N PHE A 21 -4.357 -6.039 4.750 1.00 5.12 N ATOM 303 CA PHE A 21 -5.758 -5.868 4.374 1.00 73.03 C ATOM 304 C PHE A 21 -6.471 -7.188 4.061 1.00 51.51 C ATOM 305 O PHE A 21 -7.689 -7.268 4.217 1.00 44.13 O ATOM 306 CB PHE A 21 -5.887 -4.888 3.192 1.00 63.43 C ATOM 307 CG PHE A 21 -6.934 -3.797 3.380 1.00 32.41 C ATOM 308 CD1 PHE A 21 -8.168 -4.060 4.007 1.00 11.52 C ATOM 309 CD2 PHE A 21 -6.669 -2.489 2.943 1.00 22.32 C ATOM 310 CE1 PHE A 21 -9.084 -3.025 4.264 1.00 51.54 C ATOM 311 CE2 PHE A 21 -7.612 -1.469 3.144 1.00 23.24 C ATOM 312 CZ PHE A 21 -8.812 -1.723 3.822 1.00 30.31 C ATOM 0 H PHE A 21 -3.711 -5.999 3.962 1.00 5.12 H new ATOM 0 HA PHE A 21 -6.259 -5.450 5.247 1.00 73.03 H new ATOM 0 HB2 PHE A 21 -4.919 -4.418 3.021 1.00 63.43 H new ATOM 0 HB3 PHE A 21 -6.130 -5.454 2.293 1.00 63.43 H new ATOM 0 HD1 PHE A 21 -8.414 -5.072 4.294 1.00 11.52 H new ATOM 0 HD2 PHE A 21 -5.734 -2.267 2.450 1.00 22.32 H new ATOM 0 HE1 PHE A 21 -9.997 -3.233 4.802 1.00 51.54 H new ATOM 0 HE2 PHE A 21 -7.410 -0.476 2.771 1.00 23.24 H new ATOM 0 HZ PHE A 21 -9.518 -0.926 4.002 1.00 30.31 H new ATOM 321 N SER A 22 -5.761 -8.242 3.670 1.00 65.14 N ATOM 322 CA SER A 22 -6.355 -9.522 3.300 1.00 23.32 C ATOM 323 C SER A 22 -7.070 -10.172 4.492 1.00 52.41 C ATOM 324 O SER A 22 -7.910 -11.059 4.322 1.00 45.51 O ATOM 325 CB SER A 22 -5.254 -10.428 2.738 1.00 74.34 C ATOM 326 OG SER A 22 -4.228 -10.591 3.695 1.00 22.22 O ATOM 0 H SER A 22 -4.743 -8.231 3.600 1.00 65.14 H new ATOM 0 HA SER A 22 -7.115 -9.364 2.535 1.00 23.32 H new ATOM 0 HB2 SER A 22 -5.671 -11.399 2.471 1.00 74.34 H new ATOM 0 HB3 SER A 22 -4.846 -9.995 1.825 1.00 74.34 H new ATOM 0 HG SER A 22 -3.529 -11.172 3.329 1.00 22.22 H new ATOM 331 N ASP A 23 -6.776 -9.720 5.711 1.00 31.42 N ATOM 332 CA ASP A 23 -7.376 -10.194 6.956 1.00 63.14 C ATOM 333 C ASP A 23 -8.501 -9.263 7.411 1.00 34.25 C ATOM 334 O ASP A 23 -9.135 -9.521 8.434 1.00 54.40 O ATOM 335 CB ASP A 23 -6.292 -10.332 8.037 1.00 4.41 C ATOM 336 CG ASP A 23 -5.566 -11.679 7.989 1.00 50.33 C ATOM 337 OD1 ASP A 23 -5.634 -12.405 6.970 1.00 45.34 O ATOM 338 OD2 ASP A 23 -4.944 -12.050 9.011 1.00 32.43 O ATOM 0 H ASP A 23 -6.086 -8.984 5.863 1.00 31.42 H new ATOM 0 HA ASP A 23 -7.818 -11.175 6.783 1.00 63.14 H new ATOM 0 HB2 ASP A 23 -5.564 -9.529 7.918 1.00 4.41 H new ATOM 0 HB3 ASP A 23 -6.748 -10.206 9.019 1.00 4.41 H new ATOM 342 N MET A 24 -8.779 -8.195 6.661 1.00 71.44 N ATOM 343 CA MET A 24 -9.772 -7.170 6.958 1.00 41.32 C ATOM 344 C MET A 24 -10.807 -7.042 5.827 1.00 25.23 C ATOM 345 O MET A 24 -11.570 -6.075 5.820 1.00 2.45 O ATOM 346 CB MET A 24 -9.081 -5.831 7.276 1.00 63.24 C ATOM 347 CG MET A 24 -8.060 -5.930 8.414 1.00 43.20 C ATOM 348 SD MET A 24 -7.477 -4.339 9.074 1.00 5.23 S ATOM 349 CE MET A 24 -6.764 -3.569 7.592 1.00 21.02 C ATOM 0 H MET A 24 -8.289 -8.016 5.784 1.00 71.44 H new ATOM 0 HA MET A 24 -10.326 -7.473 7.846 1.00 41.32 H new ATOM 0 HB2 MET A 24 -8.580 -5.467 6.379 1.00 63.24 H new ATOM 0 HB3 MET A 24 -9.839 -5.093 7.540 1.00 63.24 H new ATOM 0 HG2 MET A 24 -8.503 -6.502 9.229 1.00 43.20 H new ATOM 0 HG3 MET A 24 -7.198 -6.495 8.059 1.00 43.20 H new ATOM 0 HE1 MET A 24 -6.368 -2.586 7.847 1.00 21.02 H new ATOM 0 HE2 MET A 24 -5.960 -4.196 7.207 1.00 21.02 H new ATOM 0 HE3 MET A 24 -7.536 -3.462 6.830 1.00 21.02 H new ATOM 357 N GLY A 25 -10.864 -7.998 4.890 1.00 10.25 N ATOM 358 CA GLY A 25 -12.031 -8.210 4.038 1.00 63.21 C ATOM 359 C GLY A 25 -11.703 -8.392 2.557 1.00 71.53 C ATOM 360 O GLY A 25 -10.550 -8.609 2.173 1.00 4.23 O ATOM 0 H GLY A 25 -10.098 -8.645 4.705 1.00 10.25 H new ATOM 0 HA2 GLY A 25 -12.568 -9.091 4.390 1.00 63.21 H new ATOM 0 HA3 GLY A 25 -12.705 -7.361 4.147 1.00 63.21 H new ATOM 364 N GLU A 26 -12.748 -8.381 1.724 1.00 3.21 N ATOM 365 CA GLU A 26 -12.669 -8.753 0.316 1.00 42.12 C ATOM 366 C GLU A 26 -12.381 -7.539 -0.557 1.00 21.21 C ATOM 367 O GLU A 26 -13.269 -6.781 -0.964 1.00 63.22 O ATOM 368 CB GLU A 26 -13.901 -9.534 -0.144 1.00 5.32 C ATOM 369 CG GLU A 26 -13.929 -10.910 0.534 1.00 1.15 C ATOM 370 CD GLU A 26 -14.330 -12.023 -0.434 1.00 12.02 C ATOM 371 OE1 GLU A 26 -13.442 -12.516 -1.159 1.00 31.44 O ATOM 372 OE2 GLU A 26 -15.508 -12.455 -0.447 1.00 44.11 O ATOM 0 H GLU A 26 -13.686 -8.108 2.018 1.00 3.21 H new ATOM 0 HA GLU A 26 -11.826 -9.434 0.201 1.00 42.12 H new ATOM 0 HB2 GLU A 26 -14.807 -8.979 0.101 1.00 5.32 H new ATOM 0 HB3 GLU A 26 -13.884 -9.653 -1.227 1.00 5.32 H new ATOM 0 HG2 GLU A 26 -12.945 -11.129 0.949 1.00 1.15 H new ATOM 0 HG3 GLU A 26 -14.629 -10.887 1.369 1.00 1.15 H new ATOM 377 N ILE A 27 -11.096 -7.380 -0.853 1.00 32.44 N ATOM 378 CA ILE A 27 -10.623 -6.479 -1.883 1.00 10.33 C ATOM 379 C ILE A 27 -11.117 -7.024 -3.232 1.00 63.21 C ATOM 380 O ILE A 27 -10.858 -8.178 -3.581 1.00 45.42 O ATOM 381 CB ILE A 27 -9.086 -6.327 -1.820 1.00 24.14 C ATOM 382 CG1 ILE A 27 -8.577 -5.855 -0.433 1.00 54.33 C ATOM 383 CG2 ILE A 27 -8.673 -5.290 -2.871 1.00 61.14 C ATOM 384 CD1 ILE A 27 -7.945 -6.953 0.428 1.00 54.00 C ATOM 0 H ILE A 27 -10.348 -7.882 -0.375 1.00 32.44 H new ATOM 0 HA ILE A 27 -11.019 -5.474 -1.739 1.00 10.33 H new ATOM 0 HB ILE A 27 -8.646 -7.306 -2.006 1.00 24.14 H new ATOM 0 HG12 ILE A 27 -7.844 -5.062 -0.581 1.00 54.33 H new ATOM 0 HG13 ILE A 27 -9.412 -5.418 0.115 1.00 54.33 H new ATOM 0 HG21 ILE A 27 -7.591 -5.161 -2.850 1.00 61.14 H new ATOM 0 HG22 ILE A 27 -8.978 -5.633 -3.860 1.00 61.14 H new ATOM 0 HG23 ILE A 27 -9.156 -4.338 -2.652 1.00 61.14 H new ATOM 0 HD11 ILE A 27 -7.619 -6.529 1.378 1.00 54.00 H new ATOM 0 HD12 ILE A 27 -8.679 -7.737 0.614 1.00 54.00 H new ATOM 0 HD13 ILE A 27 -7.086 -7.376 -0.094 1.00 54.00 H new ATOM 395 N ALA A 28 -11.825 -6.186 -3.990 1.00 31.54 N ATOM 396 CA ALA A 28 -12.135 -6.411 -5.394 1.00 52.20 C ATOM 397 C ALA A 28 -10.870 -6.162 -6.212 1.00 13.01 C ATOM 398 O ALA A 28 -10.359 -7.070 -6.870 1.00 14.43 O ATOM 399 CB ALA A 28 -13.257 -5.470 -5.862 1.00 10.22 C ATOM 0 H ALA A 28 -12.207 -5.311 -3.631 1.00 31.54 H new ATOM 0 HA ALA A 28 -12.479 -7.436 -5.531 1.00 52.20 H new ATOM 0 HB1 ALA A 28 -13.472 -5.656 -6.914 1.00 10.22 H new ATOM 0 HB2 ALA A 28 -14.154 -5.651 -5.271 1.00 10.22 H new ATOM 0 HB3 ALA A 28 -12.941 -4.435 -5.733 1.00 10.22 H new ATOM 405 N THR A 29 -10.333 -4.942 -6.154 1.00 22.13 N ATOM 406 CA THR A 29 -9.238 -4.483 -6.998 1.00 51.42 C ATOM 407 C THR A 29 -8.109 -3.954 -6.109 1.00 31.53 C ATOM 408 O THR A 29 -8.307 -3.009 -5.334 1.00 63.53 O ATOM 409 CB THR A 29 -9.768 -3.441 -8.005 1.00 32.15 C ATOM 410 OG1 THR A 29 -10.864 -3.965 -8.745 1.00 45.21 O ATOM 411 CG2 THR A 29 -8.692 -2.975 -8.981 1.00 51.42 C ATOM 0 H THR A 29 -10.659 -4.230 -5.500 1.00 22.13 H new ATOM 0 HA THR A 29 -8.823 -5.301 -7.586 1.00 51.42 H new ATOM 0 HB THR A 29 -10.091 -2.583 -7.415 1.00 32.15 H new ATOM 0 HG1 THR A 29 -11.186 -3.288 -9.376 1.00 45.21 H new ATOM 0 HG21 THR A 29 -9.116 -2.243 -9.668 1.00 51.42 H new ATOM 0 HG22 THR A 29 -7.871 -2.520 -8.427 1.00 51.42 H new ATOM 0 HG23 THR A 29 -8.319 -3.829 -9.546 1.00 51.42 H new ATOM 419 N LEU A 30 -6.933 -4.580 -6.235 1.00 44.01 N ATOM 420 CA LEU A 30 -5.695 -4.268 -5.527 1.00 63.30 C ATOM 421 C LEU A 30 -4.651 -3.931 -6.584 1.00 44.21 C ATOM 422 O LEU A 30 -4.300 -4.773 -7.419 1.00 22.15 O ATOM 423 CB LEU A 30 -5.274 -5.471 -4.661 1.00 4.23 C ATOM 424 CG LEU A 30 -4.146 -5.238 -3.633 1.00 43.02 C ATOM 425 CD1 LEU A 30 -2.742 -5.254 -4.251 1.00 33.45 C ATOM 426 CD2 LEU A 30 -4.315 -3.958 -2.802 1.00 52.40 C ATOM 0 H LEU A 30 -6.818 -5.366 -6.875 1.00 44.01 H new ATOM 0 HA LEU A 30 -5.816 -3.421 -4.851 1.00 63.30 H new ATOM 0 HB2 LEU A 30 -6.154 -5.825 -4.123 1.00 4.23 H new ATOM 0 HB3 LEU A 30 -4.963 -6.275 -5.328 1.00 4.23 H new ATOM 0 HG LEU A 30 -4.241 -6.092 -2.963 1.00 43.02 H new ATOM 0 HD11 LEU A 30 -1.999 -5.084 -3.471 1.00 33.45 H new ATOM 0 HD12 LEU A 30 -2.562 -6.222 -4.719 1.00 33.45 H new ATOM 0 HD13 LEU A 30 -2.666 -4.468 -5.002 1.00 33.45 H new ATOM 0 HD21 LEU A 30 -3.483 -3.865 -2.103 1.00 52.40 H new ATOM 0 HD22 LEU A 30 -4.330 -3.093 -3.465 1.00 52.40 H new ATOM 0 HD23 LEU A 30 -5.252 -4.006 -2.247 1.00 52.40 H new ATOM 437 N TYR A 31 -4.220 -2.675 -6.627 1.00 42.22 N ATOM 438 CA TYR A 31 -3.284 -2.118 -7.601 1.00 4.41 C ATOM 439 C TYR A 31 -2.435 -1.046 -6.937 1.00 31.44 C ATOM 440 O TYR A 31 -2.712 -0.654 -5.800 1.00 34.51 O ATOM 441 CB TYR A 31 -4.032 -1.557 -8.835 1.00 3.15 C ATOM 442 CG TYR A 31 -4.729 -0.201 -8.725 1.00 14.32 C ATOM 443 CD1 TYR A 31 -5.457 0.165 -7.575 1.00 44.24 C ATOM 444 CD2 TYR A 31 -4.627 0.733 -9.779 1.00 24.12 C ATOM 445 CE1 TYR A 31 -6.170 1.375 -7.521 1.00 24.42 C ATOM 446 CE2 TYR A 31 -5.300 1.969 -9.712 1.00 10.43 C ATOM 447 CZ TYR A 31 -6.134 2.266 -8.611 1.00 43.12 C ATOM 448 OH TYR A 31 -6.836 3.430 -8.560 1.00 44.11 O ATOM 0 H TYR A 31 -4.530 -1.980 -5.948 1.00 42.22 H new ATOM 0 HA TYR A 31 -2.629 -2.914 -7.956 1.00 4.41 H new ATOM 0 HB2 TYR A 31 -3.315 -1.493 -9.654 1.00 3.15 H new ATOM 0 HB3 TYR A 31 -4.784 -2.291 -9.126 1.00 3.15 H new ATOM 0 HD1 TYR A 31 -5.467 -0.496 -6.721 1.00 44.24 H new ATOM 0 HD2 TYR A 31 -4.027 0.498 -10.646 1.00 24.12 H new ATOM 0 HE1 TYR A 31 -6.747 1.622 -6.642 1.00 24.42 H new ATOM 0 HE2 TYR A 31 -5.178 2.692 -10.505 1.00 10.43 H new ATOM 0 HH TYR A 31 -6.702 3.930 -9.392 1.00 44.11 H new ATOM 457 N VAL A 32 -1.428 -0.560 -7.661 1.00 2.12 N ATOM 458 CA VAL A 32 -0.595 0.529 -7.192 1.00 41.21 C ATOM 459 C VAL A 32 -0.459 1.547 -8.330 1.00 3.32 C ATOM 460 O VAL A 32 -0.150 1.173 -9.474 1.00 61.23 O ATOM 461 CB VAL A 32 0.772 -0.017 -6.742 1.00 5.24 C ATOM 462 CG1 VAL A 32 1.524 1.022 -5.938 1.00 50.43 C ATOM 463 CG2 VAL A 32 0.726 -1.282 -5.870 1.00 43.31 C ATOM 0 H VAL A 32 -1.173 -0.913 -8.584 1.00 2.12 H new ATOM 0 HA VAL A 32 -1.043 1.022 -6.329 1.00 41.21 H new ATOM 0 HB VAL A 32 1.263 -0.271 -7.681 1.00 5.24 H new ATOM 0 HG11 VAL A 32 2.487 0.616 -5.630 1.00 50.43 H new ATOM 0 HG12 VAL A 32 1.683 1.910 -6.550 1.00 50.43 H new ATOM 0 HG13 VAL A 32 0.943 1.289 -5.055 1.00 50.43 H new ATOM 0 HG21 VAL A 32 1.741 -1.581 -5.609 1.00 43.31 H new ATOM 0 HG22 VAL A 32 0.163 -1.076 -4.960 1.00 43.31 H new ATOM 0 HG23 VAL A 32 0.241 -2.087 -6.422 1.00 43.31 H new ATOM 473 N GLN A 33 -0.684 2.834 -8.040 1.00 70.42 N ATOM 474 CA GLN A 33 -0.463 3.917 -9.001 1.00 14.31 C ATOM 475 C GLN A 33 0.980 4.451 -8.902 1.00 52.15 C ATOM 476 O GLN A 33 1.426 5.207 -9.768 1.00 12.41 O ATOM 477 CB GLN A 33 -1.518 5.037 -8.836 1.00 42.32 C ATOM 478 CG GLN A 33 -2.975 4.553 -8.845 1.00 5.21 C ATOM 479 CD GLN A 33 -3.994 5.619 -9.239 1.00 43.23 C ATOM 480 OE1 GLN A 33 -4.414 5.709 -10.396 1.00 25.14 O ATOM 481 NE2 GLN A 33 -4.445 6.409 -8.278 1.00 31.11 N ATOM 0 H GLN A 33 -1.024 3.152 -7.133 1.00 70.42 H new ATOM 0 HA GLN A 33 -0.589 3.515 -10.006 1.00 14.31 H new ATOM 0 HB2 GLN A 33 -1.329 5.560 -7.899 1.00 42.32 H new ATOM 0 HB3 GLN A 33 -1.386 5.763 -9.638 1.00 42.32 H new ATOM 0 HG2 GLN A 33 -3.061 3.713 -9.535 1.00 5.21 H new ATOM 0 HG3 GLN A 33 -3.226 4.178 -7.853 1.00 5.21 H new ATOM 0 HE21 GLN A 33 -4.083 6.316 -7.329 1.00 31.11 H new ATOM 0 HE22 GLN A 33 -5.155 7.111 -8.486 1.00 31.11 H new ATOM 488 N VAL A 34 1.771 4.032 -7.910 1.00 62.44 N ATOM 489 CA VAL A 34 3.064 4.639 -7.606 1.00 23.23 C ATOM 490 C VAL A 34 3.905 3.673 -6.763 1.00 32.14 C ATOM 491 O VAL A 34 3.478 3.230 -5.700 1.00 64.45 O ATOM 492 CB VAL A 34 2.820 6.013 -6.944 1.00 4.34 C ATOM 493 CG1 VAL A 34 1.873 5.958 -5.735 1.00 5.10 C ATOM 494 CG2 VAL A 34 4.134 6.701 -6.572 1.00 42.11 C ATOM 0 H VAL A 34 1.528 3.257 -7.293 1.00 62.44 H new ATOM 0 HA VAL A 34 3.645 4.822 -8.510 1.00 23.23 H new ATOM 0 HB VAL A 34 2.315 6.612 -7.702 1.00 4.34 H new ATOM 0 HG11 VAL A 34 1.750 6.960 -5.323 1.00 5.10 H new ATOM 0 HG12 VAL A 34 0.903 5.574 -6.050 1.00 5.10 H new ATOM 0 HG13 VAL A 34 2.293 5.302 -4.973 1.00 5.10 H new ATOM 0 HG21 VAL A 34 3.922 7.665 -6.109 1.00 42.11 H new ATOM 0 HG22 VAL A 34 4.687 6.075 -5.871 1.00 42.11 H new ATOM 0 HG23 VAL A 34 4.732 6.854 -7.471 1.00 42.11 H new ATOM 504 N TYR A 35 5.085 3.310 -7.259 1.00 25.32 N ATOM 505 CA TYR A 35 6.018 2.402 -6.608 1.00 61.23 C ATOM 506 C TYR A 35 7.318 3.173 -6.433 1.00 74.14 C ATOM 507 O TYR A 35 7.939 3.576 -7.425 1.00 41.41 O ATOM 508 CB TYR A 35 6.183 1.125 -7.451 1.00 71.21 C ATOM 509 CG TYR A 35 7.489 0.358 -7.279 1.00 25.25 C ATOM 510 CD1 TYR A 35 8.067 0.142 -6.009 1.00 12.34 C ATOM 511 CD2 TYR A 35 8.143 -0.136 -8.424 1.00 14.05 C ATOM 512 CE1 TYR A 35 9.295 -0.537 -5.889 1.00 34.32 C ATOM 513 CE2 TYR A 35 9.352 -0.838 -8.307 1.00 43.43 C ATOM 514 CZ TYR A 35 9.936 -1.046 -7.041 1.00 74.31 C ATOM 515 OH TYR A 35 11.050 -1.824 -6.957 1.00 61.33 O ATOM 0 H TYR A 35 5.427 3.653 -8.156 1.00 25.32 H new ATOM 0 HA TYR A 35 5.663 2.069 -5.633 1.00 61.23 H new ATOM 0 HB2 TYR A 35 5.359 0.452 -7.215 1.00 71.21 H new ATOM 0 HB3 TYR A 35 6.082 1.395 -8.502 1.00 71.21 H new ATOM 0 HD1 TYR A 35 7.564 0.500 -5.123 1.00 12.34 H new ATOM 0 HD2 TYR A 35 7.710 0.027 -9.400 1.00 14.05 H new ATOM 0 HE1 TYR A 35 9.747 -0.669 -4.917 1.00 34.32 H new ATOM 0 HE2 TYR A 35 9.838 -1.221 -9.192 1.00 43.43 H new ATOM 0 HH TYR A 35 11.342 -2.076 -7.858 1.00 61.33 H new ATOM 524 N GLU A 36 7.705 3.397 -5.177 1.00 71.41 N ATOM 525 CA GLU A 36 8.996 3.970 -4.851 1.00 53.05 C ATOM 526 C GLU A 36 10.077 2.907 -5.077 1.00 45.11 C ATOM 527 O GLU A 36 10.290 2.056 -4.217 1.00 45.32 O ATOM 528 CB GLU A 36 8.964 4.485 -3.403 1.00 44.42 C ATOM 529 CG GLU A 36 8.807 6.018 -3.292 1.00 25.54 C ATOM 530 CD GLU A 36 7.459 6.589 -3.759 1.00 73.44 C ATOM 531 OE1 GLU A 36 7.229 6.680 -4.983 1.00 10.40 O ATOM 532 OE2 GLU A 36 6.680 7.076 -2.898 1.00 41.13 O ATOM 0 H GLU A 36 7.128 3.184 -4.363 1.00 71.41 H new ATOM 0 HA GLU A 36 9.228 4.820 -5.493 1.00 53.05 H new ATOM 0 HB2 GLU A 36 8.140 4.005 -2.874 1.00 44.42 H new ATOM 0 HB3 GLU A 36 9.883 4.185 -2.900 1.00 44.42 H new ATOM 0 HG2 GLU A 36 8.961 6.305 -2.252 1.00 25.54 H new ATOM 0 HG3 GLU A 36 9.600 6.488 -3.873 1.00 25.54 H new ATOM 537 N SER A 37 10.764 2.944 -6.222 1.00 1.02 N ATOM 538 CA SER A 37 11.860 2.026 -6.530 1.00 45.21 C ATOM 539 C SER A 37 13.229 2.482 -5.984 1.00 54.11 C ATOM 540 O SER A 37 14.255 1.897 -6.344 1.00 74.50 O ATOM 541 CB SER A 37 11.876 1.761 -8.038 1.00 25.25 C ATOM 542 OG SER A 37 12.256 2.897 -8.793 1.00 74.13 O ATOM 0 H SER A 37 10.573 3.616 -6.965 1.00 1.02 H new ATOM 0 HA SER A 37 11.675 1.089 -6.005 1.00 45.21 H new ATOM 0 HB2 SER A 37 12.564 0.943 -8.251 1.00 25.25 H new ATOM 0 HB3 SER A 37 10.885 1.435 -8.355 1.00 25.25 H new ATOM 0 HG SER A 37 12.251 2.672 -9.747 1.00 74.13 H new ATOM 547 N SER A 38 13.248 3.536 -5.161 1.00 30.53 N ATOM 548 CA SER A 38 14.408 3.952 -4.380 1.00 54.15 C ATOM 549 C SER A 38 14.081 4.058 -2.885 1.00 43.13 C ATOM 550 O SER A 38 14.975 4.380 -2.107 1.00 70.21 O ATOM 551 CB SER A 38 14.923 5.314 -4.865 1.00 10.41 C ATOM 552 OG SER A 38 15.252 5.355 -6.238 1.00 3.20 O ATOM 0 H SER A 38 12.435 4.135 -5.019 1.00 30.53 H new ATOM 0 HA SER A 38 15.173 3.188 -4.520 1.00 54.15 H new ATOM 0 HB2 SER A 38 14.164 6.070 -4.662 1.00 10.41 H new ATOM 0 HB3 SER A 38 15.805 5.584 -4.284 1.00 10.41 H new ATOM 0 HG SER A 38 15.570 6.252 -6.472 1.00 3.20 H new ATOM 557 N LEU A 39 12.830 3.869 -2.455 1.00 31.24 N ATOM 558 CA LEU A 39 12.364 4.124 -1.090 1.00 74.43 C ATOM 559 C LEU A 39 11.351 3.036 -0.721 1.00 4.20 C ATOM 560 O LEU A 39 11.209 2.051 -1.443 1.00 12.32 O ATOM 561 CB LEU A 39 11.792 5.555 -0.971 1.00 22.10 C ATOM 562 CG LEU A 39 12.832 6.689 -1.067 1.00 61.22 C ATOM 563 CD1 LEU A 39 12.121 8.046 -1.114 1.00 74.53 C ATOM 564 CD2 LEU A 39 13.821 6.679 0.106 1.00 14.34 C ATOM 0 H LEU A 39 12.091 3.523 -3.067 1.00 31.24 H new ATOM 0 HA LEU A 39 13.189 4.076 -0.380 1.00 74.43 H new ATOM 0 HB2 LEU A 39 11.049 5.698 -1.755 1.00 22.10 H new ATOM 0 HB3 LEU A 39 11.270 5.642 -0.018 1.00 22.10 H new ATOM 0 HG LEU A 39 13.400 6.524 -1.983 1.00 61.22 H new ATOM 0 HD11 LEU A 39 12.862 8.843 -1.182 1.00 74.53 H new ATOM 0 HD12 LEU A 39 11.467 8.084 -1.985 1.00 74.53 H new ATOM 0 HD13 LEU A 39 11.528 8.178 -0.209 1.00 74.53 H new ATOM 0 HD21 LEU A 39 14.532 7.497 -0.010 1.00 14.34 H new ATOM 0 HD22 LEU A 39 13.276 6.802 1.042 1.00 14.34 H new ATOM 0 HD23 LEU A 39 14.359 5.731 0.121 1.00 14.34 H new ATOM 575 N GLU A 40 10.666 3.169 0.412 1.00 30.50 N ATOM 576 CA GLU A 40 9.750 2.174 0.931 1.00 50.42 C ATOM 577 C GLU A 40 8.395 2.854 1.149 1.00 30.14 C ATOM 578 O GLU A 40 8.027 3.209 2.269 1.00 42.01 O ATOM 579 CB GLU A 40 10.313 1.484 2.188 1.00 51.12 C ATOM 580 CG GLU A 40 11.800 1.075 2.140 1.00 52.10 C ATOM 581 CD GLU A 40 12.775 2.044 2.830 1.00 54.03 C ATOM 582 OE1 GLU A 40 12.475 3.256 2.949 1.00 22.11 O ATOM 583 OE2 GLU A 40 13.847 1.571 3.282 1.00 41.31 O ATOM 0 H GLU A 40 10.739 3.996 1.005 1.00 30.50 H new ATOM 0 HA GLU A 40 9.615 1.361 0.217 1.00 50.42 H new ATOM 0 HB2 GLU A 40 10.170 2.152 3.037 1.00 51.12 H new ATOM 0 HB3 GLU A 40 9.719 0.591 2.382 1.00 51.12 H new ATOM 0 HG2 GLU A 40 11.904 0.093 2.601 1.00 52.10 H new ATOM 0 HG3 GLU A 40 12.097 0.970 1.096 1.00 52.10 H new ATOM 588 N SER A 41 7.674 3.085 0.056 1.00 51.34 N ATOM 589 CA SER A 41 6.408 3.811 0.016 1.00 64.31 C ATOM 590 C SER A 41 5.471 3.044 -0.912 1.00 62.42 C ATOM 591 O SER A 41 5.922 2.539 -1.948 1.00 74.45 O ATOM 592 CB SER A 41 6.712 5.206 -0.531 1.00 22.21 C ATOM 593 OG SER A 41 5.646 6.131 -0.573 1.00 44.42 O ATOM 0 H SER A 41 7.968 2.758 -0.864 1.00 51.34 H new ATOM 0 HA SER A 41 5.937 3.902 0.995 1.00 64.31 H new ATOM 0 HB2 SER A 41 7.510 5.638 0.072 1.00 22.21 H new ATOM 0 HB3 SER A 41 7.102 5.094 -1.543 1.00 22.21 H new ATOM 0 HG SER A 41 5.728 6.689 -1.375 1.00 44.42 H new ATOM 598 N LEU A 42 4.187 2.952 -0.553 1.00 43.05 N ATOM 599 CA LEU A 42 3.190 2.222 -1.329 1.00 34.42 C ATOM 600 C LEU A 42 1.861 2.954 -1.216 1.00 2.33 C ATOM 601 O LEU A 42 1.279 3.028 -0.129 1.00 32.22 O ATOM 602 CB LEU A 42 3.085 0.767 -0.847 1.00 61.12 C ATOM 603 CG LEU A 42 2.651 -0.220 -1.955 1.00 74.10 C ATOM 604 CD1 LEU A 42 1.168 -0.121 -2.301 1.00 65.40 C ATOM 605 CD2 LEU A 42 3.469 -0.114 -3.252 1.00 21.13 C ATOM 0 H LEU A 42 3.812 3.386 0.290 1.00 43.05 H new ATOM 0 HA LEU A 42 3.485 2.183 -2.378 1.00 34.42 H new ATOM 0 HB2 LEU A 42 4.051 0.454 -0.450 1.00 61.12 H new ATOM 0 HB3 LEU A 42 2.371 0.715 -0.025 1.00 61.12 H new ATOM 0 HG LEU A 42 2.851 -1.194 -1.509 1.00 74.10 H new ATOM 0 HD11 LEU A 42 0.928 -0.840 -3.085 1.00 65.40 H new ATOM 0 HD12 LEU A 42 0.572 -0.339 -1.415 1.00 65.40 H new ATOM 0 HD13 LEU A 42 0.943 0.886 -2.651 1.00 65.40 H new ATOM 0 HD21 LEU A 42 3.099 -0.841 -3.976 1.00 21.13 H new ATOM 0 HD22 LEU A 42 3.370 0.891 -3.663 1.00 21.13 H new ATOM 0 HD23 LEU A 42 4.518 -0.317 -3.038 1.00 21.13 H new ATOM 616 N VAL A 43 1.361 3.503 -2.320 1.00 70.33 N ATOM 617 CA VAL A 43 0.096 4.228 -2.354 1.00 1.23 C ATOM 618 C VAL A 43 -0.691 3.756 -3.568 1.00 44.34 C ATOM 619 O VAL A 43 -0.112 3.420 -4.609 1.00 53.03 O ATOM 620 CB VAL A 43 0.354 5.750 -2.402 1.00 52.22 C ATOM 621 CG1 VAL A 43 -0.938 6.576 -2.292 1.00 73.13 C ATOM 622 CG2 VAL A 43 1.340 6.190 -1.312 1.00 34.24 C ATOM 0 H VAL A 43 1.829 3.456 -3.225 1.00 70.33 H new ATOM 0 HA VAL A 43 -0.483 4.029 -1.452 1.00 1.23 H new ATOM 0 HB VAL A 43 0.793 5.944 -3.381 1.00 52.22 H new ATOM 0 HG11 VAL A 43 -0.695 7.638 -2.331 1.00 73.13 H new ATOM 0 HG12 VAL A 43 -1.602 6.325 -3.119 1.00 73.13 H new ATOM 0 HG13 VAL A 43 -1.434 6.352 -1.347 1.00 73.13 H new ATOM 0 HG21 VAL A 43 1.497 7.267 -1.377 1.00 34.24 H new ATOM 0 HG22 VAL A 43 0.934 5.941 -0.332 1.00 34.24 H new ATOM 0 HG23 VAL A 43 2.291 5.676 -1.452 1.00 34.24 H new ATOM 632 N GLY A 44 -2.017 3.779 -3.454 1.00 31.33 N ATOM 633 CA GLY A 44 -2.865 3.553 -4.606 1.00 41.23 C ATOM 634 C GLY A 44 -4.246 3.047 -4.237 1.00 23.30 C ATOM 635 O GLY A 44 -4.730 2.143 -4.921 1.00 45.24 O ATOM 0 H GLY A 44 -2.517 3.951 -2.582 1.00 31.33 H new ATOM 0 HA2 GLY A 44 -2.963 4.483 -5.166 1.00 41.23 H new ATOM 0 HA3 GLY A 44 -2.385 2.832 -5.267 1.00 41.23 H new ATOM 639 N GLY A 45 -4.874 3.569 -3.176 1.00 2.44 N ATOM 640 CA GLY A 45 -6.213 3.135 -2.828 1.00 1.04 C ATOM 641 C GLY A 45 -6.301 1.641 -2.517 1.00 11.11 C ATOM 642 O GLY A 45 -5.300 0.969 -2.244 1.00 23.13 O ATOM 0 H GLY A 45 -4.477 4.279 -2.560 1.00 2.44 H new ATOM 0 HA2 GLY A 45 -6.558 3.700 -1.962 1.00 1.04 H new ATOM 0 HA3 GLY A 45 -6.889 3.369 -3.651 1.00 1.04 H new ATOM 646 N VAL A 46 -7.527 1.130 -2.537 1.00 1.32 N ATOM 647 CA VAL A 46 -7.930 -0.271 -2.528 1.00 25.23 C ATOM 648 C VAL A 46 -9.449 -0.255 -2.668 1.00 22.51 C ATOM 649 O VAL A 46 -10.112 0.565 -2.029 1.00 24.40 O ATOM 650 CB VAL A 46 -7.452 -0.984 -1.245 1.00 10.14 C ATOM 651 CG1 VAL A 46 -7.891 -0.319 0.066 1.00 73.51 C ATOM 652 CG2 VAL A 46 -7.805 -2.464 -1.229 1.00 4.45 C ATOM 0 H VAL A 46 -8.340 1.745 -2.562 1.00 1.32 H new ATOM 0 HA VAL A 46 -7.475 -0.836 -3.342 1.00 25.23 H new ATOM 0 HB VAL A 46 -6.368 -0.883 -1.289 1.00 10.14 H new ATOM 0 HG11 VAL A 46 -7.508 -0.892 0.911 1.00 73.51 H new ATOM 0 HG12 VAL A 46 -7.498 0.697 0.108 1.00 73.51 H new ATOM 0 HG13 VAL A 46 -8.980 -0.289 0.112 1.00 73.51 H new ATOM 0 HG21 VAL A 46 -7.445 -2.914 -0.304 1.00 4.45 H new ATOM 0 HG22 VAL A 46 -8.887 -2.581 -1.292 1.00 4.45 H new ATOM 0 HG23 VAL A 46 -7.337 -2.959 -2.080 1.00 4.45 H new ATOM 662 N ILE A 47 -10.007 -1.092 -3.540 1.00 25.32 N ATOM 663 CA ILE A 47 -11.428 -1.068 -3.876 1.00 4.02 C ATOM 664 C ILE A 47 -11.976 -2.413 -3.434 1.00 72.34 C ATOM 665 O ILE A 47 -11.480 -3.454 -3.867 1.00 52.21 O ATOM 666 CB ILE A 47 -11.620 -0.819 -5.385 1.00 54.33 C ATOM 667 CG1 ILE A 47 -11.027 0.541 -5.822 1.00 70.35 C ATOM 668 CG2 ILE A 47 -13.103 -0.883 -5.799 1.00 73.31 C ATOM 669 CD1 ILE A 47 -10.447 0.471 -7.235 1.00 4.44 C ATOM 0 H ILE A 47 -9.481 -1.811 -4.037 1.00 25.32 H new ATOM 0 HA ILE A 47 -11.960 -0.259 -3.376 1.00 4.02 H new ATOM 0 HB ILE A 47 -11.082 -1.620 -5.892 1.00 54.33 H new ATOM 0 HG12 ILE A 47 -11.802 1.306 -5.783 1.00 70.35 H new ATOM 0 HG13 ILE A 47 -10.247 0.841 -5.122 1.00 70.35 H new ATOM 0 HG21 ILE A 47 -13.190 -0.702 -6.870 1.00 73.31 H new ATOM 0 HG22 ILE A 47 -13.504 -1.869 -5.564 1.00 73.31 H new ATOM 0 HG23 ILE A 47 -13.666 -0.124 -5.256 1.00 73.31 H new ATOM 0 HD11 ILE A 47 -10.039 1.444 -7.509 1.00 4.44 H new ATOM 0 HD12 ILE A 47 -9.655 -0.277 -7.266 1.00 4.44 H new ATOM 0 HD13 ILE A 47 -11.233 0.196 -7.938 1.00 4.44 H new ATOM 680 N PHE A 48 -12.946 -2.397 -2.529 1.00 52.12 N ATOM 681 CA PHE A 48 -13.610 -3.593 -2.026 1.00 62.44 C ATOM 682 C PHE A 48 -14.744 -4.033 -2.942 1.00 51.30 C ATOM 683 O PHE A 48 -15.329 -3.225 -3.669 1.00 14.31 O ATOM 684 CB PHE A 48 -14.173 -3.327 -0.626 1.00 21.21 C ATOM 685 CG PHE A 48 -13.230 -3.685 0.502 1.00 63.24 C ATOM 686 CD1 PHE A 48 -11.896 -3.227 0.507 1.00 10.24 C ATOM 687 CD2 PHE A 48 -13.688 -4.519 1.539 1.00 61.50 C ATOM 688 CE1 PHE A 48 -11.018 -3.640 1.524 1.00 61.21 C ATOM 689 CE2 PHE A 48 -12.819 -4.894 2.571 1.00 5.12 C ATOM 690 CZ PHE A 48 -11.478 -4.488 2.547 1.00 65.23 C ATOM 0 H PHE A 48 -13.301 -1.535 -2.116 1.00 52.12 H new ATOM 0 HA PHE A 48 -12.868 -4.390 -1.989 1.00 62.44 H new ATOM 0 HB2 PHE A 48 -14.433 -2.271 -0.546 1.00 21.21 H new ATOM 0 HB3 PHE A 48 -15.097 -3.893 -0.505 1.00 21.21 H new ATOM 0 HD1 PHE A 48 -11.550 -2.560 -0.269 1.00 10.24 H new ATOM 0 HD2 PHE A 48 -14.709 -4.870 1.539 1.00 61.50 H new ATOM 0 HE1 PHE A 48 -9.991 -3.306 1.520 1.00 61.21 H new ATOM 0 HE2 PHE A 48 -13.184 -5.498 3.388 1.00 5.12 H new ATOM 0 HZ PHE A 48 -10.798 -4.826 3.314 1.00 65.23 H new ATOM 699 N GLU A 49 -15.124 -5.299 -2.789 1.00 53.14 N ATOM 700 CA GLU A 49 -16.325 -5.899 -3.365 1.00 52.14 C ATOM 701 C GLU A 49 -17.597 -5.181 -2.900 1.00 43.33 C ATOM 702 O GLU A 49 -18.581 -5.052 -3.628 1.00 70.31 O ATOM 703 CB GLU A 49 -16.346 -7.379 -2.965 1.00 41.04 C ATOM 704 CG GLU A 49 -15.949 -8.284 -4.130 1.00 25.21 C ATOM 705 CD GLU A 49 -17.088 -8.401 -5.139 1.00 74.34 C ATOM 706 OE1 GLU A 49 -17.286 -7.485 -5.963 1.00 51.01 O ATOM 707 OE2 GLU A 49 -17.860 -9.383 -5.055 1.00 72.23 O ATOM 0 H GLU A 49 -14.581 -5.963 -2.237 1.00 53.14 H new ATOM 0 HA GLU A 49 -16.301 -5.801 -4.450 1.00 52.14 H new ATOM 0 HB2 GLU A 49 -15.664 -7.540 -2.130 1.00 41.04 H new ATOM 0 HB3 GLU A 49 -17.344 -7.648 -2.618 1.00 41.04 H new ATOM 0 HG2 GLU A 49 -15.062 -7.884 -4.621 1.00 25.21 H new ATOM 0 HG3 GLU A 49 -15.687 -9.273 -3.755 1.00 25.21 H new ATOM 712 N ASP A 50 -17.555 -4.638 -1.686 1.00 62.42 N ATOM 713 CA ASP A 50 -18.689 -3.995 -1.027 1.00 44.14 C ATOM 714 C ASP A 50 -18.709 -2.486 -1.305 1.00 30.44 C ATOM 715 O ASP A 50 -19.278 -1.702 -0.546 1.00 25.41 O ATOM 716 CB ASP A 50 -18.687 -4.379 0.457 1.00 30.32 C ATOM 717 CG ASP A 50 -19.689 -5.497 0.705 1.00 12.32 C ATOM 718 OD1 ASP A 50 -19.517 -6.611 0.165 1.00 3.21 O ATOM 719 OD2 ASP A 50 -20.679 -5.244 1.432 1.00 65.54 O ATOM 0 H ASP A 50 -16.708 -4.633 -1.118 1.00 62.42 H new ATOM 0 HA ASP A 50 -19.631 -4.355 -1.441 1.00 44.14 H new ATOM 0 HB2 ASP A 50 -17.689 -4.700 0.757 1.00 30.32 H new ATOM 0 HB3 ASP A 50 -18.939 -3.511 1.066 1.00 30.32 H new ATOM 723 N GLY A 51 -18.067 -2.069 -2.403 1.00 14.14 N ATOM 724 CA GLY A 51 -18.002 -0.693 -2.877 1.00 2.32 C ATOM 725 C GLY A 51 -17.384 0.225 -1.841 1.00 4.44 C ATOM 726 O GLY A 51 -18.023 1.174 -1.382 1.00 72.55 O ATOM 0 H GLY A 51 -17.558 -2.714 -3.007 1.00 14.14 H new ATOM 0 HA2 GLY A 51 -17.417 -0.651 -3.796 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -19.005 -0.344 -3.121 1.00 2.32 H new ATOM 730 N ARG A 52 -16.146 -0.071 -1.450 1.00 62.23 N ATOM 731 CA ARG A 52 -15.430 0.670 -0.422 1.00 31.23 C ATOM 732 C ARG A 52 -14.088 1.009 -1.040 1.00 24.20 C ATOM 733 O ARG A 52 -13.235 0.129 -1.150 1.00 32.52 O ATOM 734 CB ARG A 52 -15.312 -0.095 0.914 1.00 44.44 C ATOM 735 CG ARG A 52 -16.497 -1.008 1.258 1.00 43.33 C ATOM 736 CD ARG A 52 -16.178 -2.056 2.334 1.00 50.01 C ATOM 737 NE ARG A 52 -16.483 -1.603 3.699 1.00 43.04 N ATOM 738 CZ ARG A 52 -17.141 -2.308 4.630 1.00 72.43 C ATOM 739 NH1 ARG A 52 -17.553 -3.555 4.409 1.00 53.22 N ATOM 740 NH2 ARG A 52 -17.397 -1.767 5.813 1.00 32.32 N ATOM 0 H ARG A 52 -15.608 -0.842 -1.845 1.00 62.23 H new ATOM 0 HA ARG A 52 -15.972 1.571 -0.135 1.00 31.23 H new ATOM 0 HB2 ARG A 52 -14.405 -0.700 0.888 1.00 44.44 H new ATOM 0 HB3 ARG A 52 -15.189 0.630 1.718 1.00 44.44 H new ATOM 0 HG2 ARG A 52 -17.331 -0.394 1.598 1.00 43.33 H new ATOM 0 HG3 ARG A 52 -16.826 -1.518 0.353 1.00 43.33 H new ATOM 0 HD2 ARG A 52 -16.744 -2.964 2.125 1.00 50.01 H new ATOM 0 HD3 ARG A 52 -15.122 -2.318 2.274 1.00 50.01 H new ATOM 0 HE ARG A 52 -16.166 -0.670 3.961 1.00 43.04 H new ATOM 0 HH11 ARG A 52 -17.370 -4.001 3.510 1.00 53.22 H new ATOM 0 HH12 ARG A 52 -18.051 -4.064 5.139 1.00 53.22 H new ATOM 0 HH21 ARG A 52 -17.093 -0.814 6.015 1.00 32.32 H new ATOM 0 HH22 ARG A 52 -17.898 -2.303 6.521 1.00 32.32 H new ATOM 751 N HIS A 53 -13.955 2.214 -1.577 1.00 51.44 N ATOM 752 CA HIS A 53 -12.666 2.744 -2.007 1.00 54.22 C ATOM 753 C HIS A 53 -12.034 3.389 -0.782 1.00 14.10 C ATOM 754 O HIS A 53 -12.613 4.327 -0.223 1.00 61.52 O ATOM 755 CB HIS A 53 -12.793 3.763 -3.156 1.00 1.03 C ATOM 756 CG HIS A 53 -11.495 4.117 -3.857 1.00 44.41 C ATOM 757 ND1 HIS A 53 -11.314 5.189 -4.703 1.00 32.21 N ATOM 758 CD2 HIS A 53 -10.309 3.426 -3.831 1.00 54.03 C ATOM 759 CE1 HIS A 53 -10.047 5.152 -5.149 1.00 54.12 C ATOM 760 NE2 HIS A 53 -9.393 4.084 -4.656 1.00 71.45 N ATOM 0 H HIS A 53 -14.736 2.852 -1.727 1.00 51.44 H new ATOM 0 HA HIS A 53 -12.050 1.937 -2.403 1.00 54.22 H new ATOM 0 HB2 HIS A 53 -13.489 3.367 -3.895 1.00 1.03 H new ATOM 0 HB3 HIS A 53 -13.234 4.678 -2.761 1.00 1.03 H new ATOM 0 HD1 HIS A 53 -12.017 5.887 -4.947 1.00 32.21 H new ATOM 0 HD2 HIS A 53 -10.116 2.525 -3.267 1.00 54.03 H new ATOM 0 HE1 HIS A 53 -9.611 5.882 -5.815 1.00 54.12 H new ATOM 767 N TYR A 54 -10.863 2.909 -0.370 1.00 74.43 N ATOM 768 CA TYR A 54 -10.107 3.477 0.735 1.00 61.42 C ATOM 769 C TYR A 54 -8.723 3.878 0.224 1.00 11.14 C ATOM 770 O TYR A 54 -7.995 3.045 -0.312 1.00 12.40 O ATOM 771 CB TYR A 54 -10.018 2.470 1.888 1.00 41.22 C ATOM 772 CG TYR A 54 -11.327 2.011 2.497 1.00 54.21 C ATOM 773 CD1 TYR A 54 -12.078 2.911 3.271 1.00 11.03 C ATOM 774 CD2 TYR A 54 -11.750 0.675 2.375 1.00 11.23 C ATOM 775 CE1 TYR A 54 -13.253 2.494 3.917 1.00 72.31 C ATOM 776 CE2 TYR A 54 -12.890 0.230 3.071 1.00 44.34 C ATOM 777 CZ TYR A 54 -13.662 1.144 3.825 1.00 70.22 C ATOM 778 OH TYR A 54 -14.818 0.729 4.415 1.00 73.24 O ATOM 0 H TYR A 54 -10.410 2.104 -0.802 1.00 74.43 H new ATOM 0 HA TYR A 54 -10.608 4.364 1.122 1.00 61.42 H new ATOM 0 HB2 TYR A 54 -9.483 1.590 1.530 1.00 41.22 H new ATOM 0 HB3 TYR A 54 -9.412 2.912 2.679 1.00 41.22 H new ATOM 0 HD1 TYR A 54 -11.748 3.935 3.370 1.00 11.03 H new ATOM 0 HD2 TYR A 54 -11.200 -0.010 1.747 1.00 11.23 H new ATOM 0 HE1 TYR A 54 -13.842 3.202 4.482 1.00 72.31 H new ATOM 0 HE2 TYR A 54 -13.175 -0.811 3.029 1.00 44.34 H new ATOM 0 HH TYR A 54 -15.459 1.470 4.435 1.00 73.24 H new ATOM 787 N THR A 55 -8.358 5.149 0.359 1.00 51.22 N ATOM 788 CA THR A 55 -7.067 5.727 -0.025 1.00 11.12 C ATOM 789 C THR A 55 -5.941 5.233 0.895 1.00 64.15 C ATOM 790 O THR A 55 -5.609 5.871 1.892 1.00 24.33 O ATOM 791 CB THR A 55 -7.191 7.256 0.007 1.00 12.42 C ATOM 792 OG1 THR A 55 -7.883 7.680 1.171 1.00 62.43 O ATOM 793 CG2 THR A 55 -8.001 7.751 -1.186 1.00 73.12 C ATOM 0 H THR A 55 -8.987 5.844 0.761 1.00 51.22 H new ATOM 0 HA THR A 55 -6.806 5.406 -1.033 1.00 11.12 H new ATOM 0 HB THR A 55 -6.178 7.659 -0.011 1.00 12.42 H new ATOM 0 HG1 THR A 55 -7.473 7.271 1.962 1.00 62.43 H new ATOM 0 HG21 THR A 55 -8.079 8.838 -1.147 1.00 73.12 H new ATOM 0 HG22 THR A 55 -7.505 7.455 -2.110 1.00 73.12 H new ATOM 0 HG23 THR A 55 -8.999 7.314 -1.154 1.00 73.12 H new ATOM 801 N PHE A 56 -5.420 4.031 0.655 1.00 74.14 N ATOM 802 CA PHE A 56 -4.307 3.498 1.432 1.00 33.20 C ATOM 803 C PHE A 56 -3.029 4.216 1.028 1.00 13.32 C ATOM 804 O PHE A 56 -2.691 4.285 -0.162 1.00 45.45 O ATOM 805 CB PHE A 56 -4.223 1.978 1.255 1.00 63.44 C ATOM 806 CG PHE A 56 -4.416 1.168 2.522 1.00 11.01 C ATOM 807 CD1 PHE A 56 -5.521 1.400 3.364 1.00 34.40 C ATOM 808 CD2 PHE A 56 -3.507 0.143 2.843 1.00 51.43 C ATOM 809 CE1 PHE A 56 -5.716 0.609 4.511 1.00 30.04 C ATOM 810 CE2 PHE A 56 -3.723 -0.676 3.966 1.00 63.53 C ATOM 811 CZ PHE A 56 -4.833 -0.447 4.798 1.00 1.23 C ATOM 0 H PHE A 56 -5.755 3.405 -0.077 1.00 74.14 H new ATOM 0 HA PHE A 56 -4.461 3.677 2.496 1.00 33.20 H new ATOM 0 HB2 PHE A 56 -4.975 1.671 0.529 1.00 63.44 H new ATOM 0 HB3 PHE A 56 -3.250 1.731 0.830 1.00 63.44 H new ATOM 0 HD1 PHE A 56 -6.221 2.188 3.128 1.00 34.40 H new ATOM 0 HD2 PHE A 56 -2.637 -0.016 2.223 1.00 51.43 H new ATOM 0 HE1 PHE A 56 -6.545 0.813 5.172 1.00 30.04 H new ATOM 0 HE2 PHE A 56 -3.037 -1.480 4.189 1.00 63.53 H new ATOM 0 HZ PHE A 56 -5.007 -1.080 5.655 1.00 1.23 H new ATOM 820 N VAL A 57 -2.339 4.734 2.041 1.00 30.22 N ATOM 821 CA VAL A 57 -1.066 5.410 1.949 1.00 44.33 C ATOM 822 C VAL A 57 -0.196 4.856 3.075 1.00 1.41 C ATOM 823 O VAL A 57 -0.584 4.850 4.243 1.00 72.32 O ATOM 824 CB VAL A 57 -1.271 6.944 1.968 1.00 62.55 C ATOM 825 CG1 VAL A 57 -2.155 7.449 3.117 1.00 54.25 C ATOM 826 CG2 VAL A 57 0.061 7.709 1.996 1.00 52.24 C ATOM 0 H VAL A 57 -2.681 4.685 3.001 1.00 30.22 H new ATOM 0 HA VAL A 57 -0.551 5.224 1.006 1.00 44.33 H new ATOM 0 HB VAL A 57 -1.795 7.147 1.034 1.00 62.55 H new ATOM 0 HG11 VAL A 57 -2.247 8.533 3.056 1.00 54.25 H new ATOM 0 HG12 VAL A 57 -3.144 6.996 3.041 1.00 54.25 H new ATOM 0 HG13 VAL A 57 -1.703 7.176 4.071 1.00 54.25 H new ATOM 0 HG21 VAL A 57 -0.135 8.781 2.009 1.00 52.24 H new ATOM 0 HG22 VAL A 57 0.621 7.432 2.889 1.00 52.24 H new ATOM 0 HG23 VAL A 57 0.644 7.457 1.110 1.00 52.24 H new ATOM 836 N TYR A 58 0.952 4.311 2.692 1.00 70.53 N ATOM 837 CA TYR A 58 2.010 3.901 3.604 1.00 14.22 C ATOM 838 C TYR A 58 3.306 4.660 3.324 1.00 33.10 C ATOM 839 O TYR A 58 3.777 4.669 2.182 1.00 22.20 O ATOM 840 CB TYR A 58 2.256 2.400 3.459 1.00 43.24 C ATOM 841 CG TYR A 58 3.274 1.880 4.453 1.00 2.22 C ATOM 842 CD1 TYR A 58 2.904 1.736 5.802 1.00 41.54 C ATOM 843 CD2 TYR A 58 4.562 1.492 4.035 1.00 70.44 C ATOM 844 CE1 TYR A 58 3.782 1.147 6.723 1.00 24.45 C ATOM 845 CE2 TYR A 58 5.459 0.916 4.953 1.00 22.43 C ATOM 846 CZ TYR A 58 5.057 0.716 6.294 1.00 2.54 C ATOM 847 OH TYR A 58 5.872 0.064 7.165 1.00 65.02 O ATOM 0 H TYR A 58 1.178 4.138 1.712 1.00 70.53 H new ATOM 0 HA TYR A 58 1.692 4.130 4.621 1.00 14.22 H new ATOM 0 HB2 TYR A 58 1.315 1.866 3.594 1.00 43.24 H new ATOM 0 HB3 TYR A 58 2.600 2.188 2.447 1.00 43.24 H new ATOM 0 HD1 TYR A 58 1.935 2.082 6.131 1.00 41.54 H new ATOM 0 HD2 TYR A 58 4.862 1.637 3.008 1.00 70.44 H new ATOM 0 HE1 TYR A 58 3.485 1.024 7.754 1.00 24.45 H new ATOM 0 HE2 TYR A 58 6.450 0.628 4.635 1.00 22.43 H new ATOM 0 HH TYR A 58 6.614 0.651 7.420 1.00 65.02 H new ATOM 856 N GLU A 59 3.909 5.199 4.384 1.00 63.21 N ATOM 857 CA GLU A 59 5.302 5.622 4.479 1.00 4.20 C ATOM 858 C GLU A 59 5.856 5.065 5.801 1.00 73.23 C ATOM 859 O GLU A 59 5.084 4.890 6.740 1.00 44.13 O ATOM 860 CB GLU A 59 5.408 7.161 4.422 1.00 43.13 C ATOM 861 CG GLU A 59 4.578 7.893 5.500 1.00 44.12 C ATOM 862 CD GLU A 59 4.816 9.405 5.565 1.00 11.54 C ATOM 863 OE1 GLU A 59 5.236 10.011 4.553 1.00 65.04 O ATOM 864 OE2 GLU A 59 4.626 9.994 6.660 1.00 24.10 O ATOM 0 H GLU A 59 3.402 5.361 5.254 1.00 63.21 H new ATOM 0 HA GLU A 59 5.884 5.240 3.640 1.00 4.20 H new ATOM 0 HB2 GLU A 59 6.455 7.446 4.529 1.00 43.13 H new ATOM 0 HB3 GLU A 59 5.085 7.500 3.438 1.00 43.13 H new ATOM 0 HG2 GLU A 59 3.520 7.712 5.311 1.00 44.12 H new ATOM 0 HG3 GLU A 59 4.807 7.459 6.474 1.00 44.12 H new ATOM 869 N ASN A 60 7.163 4.789 5.873 1.00 74.23 N ATOM 870 CA ASN A 60 7.984 4.294 6.987 1.00 34.11 C ATOM 871 C ASN A 60 7.402 3.157 7.816 1.00 74.21 C ATOM 872 O ASN A 60 7.890 2.028 7.759 1.00 31.04 O ATOM 873 CB ASN A 60 8.512 5.402 7.903 1.00 30.20 C ATOM 874 CG ASN A 60 9.827 4.995 8.559 1.00 24.22 C ATOM 875 OD1 ASN A 60 10.643 4.268 8.000 1.00 32.04 O ATOM 876 ND2 ASN A 60 10.082 5.450 9.765 1.00 10.11 N ATOM 0 H ASN A 60 7.745 4.925 5.046 1.00 74.23 H new ATOM 0 HA ASN A 60 8.822 3.853 6.447 1.00 34.11 H new ATOM 0 HB2 ASN A 60 8.658 6.316 7.326 1.00 30.20 H new ATOM 0 HB3 ASN A 60 7.773 5.625 8.672 1.00 30.20 H new ATOM 0 HD21 ASN A 60 10.954 5.199 10.231 1.00 10.11 H new ATOM 0 HD22 ASN A 60 9.408 6.055 10.235 1.00 10.11 H new ATOM 882 N GLU A 61 6.424 3.499 8.650 1.00 53.54 N ATOM 883 CA GLU A 61 5.684 2.640 9.547 1.00 34.33 C ATOM 884 C GLU A 61 4.306 3.244 9.891 1.00 11.33 C ATOM 885 O GLU A 61 3.664 2.795 10.843 1.00 42.34 O ATOM 886 CB GLU A 61 6.503 2.323 10.801 1.00 73.05 C ATOM 887 CG GLU A 61 6.972 3.543 11.564 1.00 53.35 C ATOM 888 CD GLU A 61 7.377 3.191 12.995 1.00 65.34 C ATOM 889 OE1 GLU A 61 8.107 2.185 13.205 1.00 25.00 O ATOM 890 OE2 GLU A 61 6.822 3.800 13.936 1.00 21.22 O ATOM 0 H GLU A 61 6.109 4.467 8.715 1.00 53.54 H new ATOM 0 HA GLU A 61 5.497 1.696 9.036 1.00 34.33 H new ATOM 0 HB2 GLU A 61 5.902 1.702 11.466 1.00 73.05 H new ATOM 0 HB3 GLU A 61 7.373 1.733 10.513 1.00 73.05 H new ATOM 0 HG2 GLU A 61 7.819 3.993 11.046 1.00 53.35 H new ATOM 0 HG3 GLU A 61 6.177 4.288 11.583 1.00 53.35 H new ATOM 895 N ASP A 62 3.835 4.243 9.150 1.00 73.42 N ATOM 896 CA ASP A 62 2.636 5.021 9.432 1.00 34.43 C ATOM 897 C ASP A 62 1.663 4.781 8.280 1.00 10.52 C ATOM 898 O ASP A 62 1.566 5.564 7.333 1.00 2.12 O ATOM 899 CB ASP A 62 2.983 6.506 9.648 1.00 71.04 C ATOM 900 CG ASP A 62 3.363 6.853 11.091 1.00 41.31 C ATOM 901 OD1 ASP A 62 3.847 5.989 11.864 1.00 64.05 O ATOM 902 OD2 ASP A 62 3.150 8.011 11.505 1.00 45.43 O ATOM 0 H ASP A 62 4.303 4.545 8.296 1.00 73.42 H new ATOM 0 HA ASP A 62 2.163 4.707 10.362 1.00 34.43 H new ATOM 0 HB2 ASP A 62 3.810 6.775 8.991 1.00 71.04 H new ATOM 0 HB3 ASP A 62 2.129 7.115 9.351 1.00 71.04 H new ATOM 906 N LEU A 63 0.962 3.645 8.332 1.00 3.23 N ATOM 907 CA LEU A 63 -0.192 3.368 7.482 1.00 42.13 C ATOM 908 C LEU A 63 -1.307 4.320 7.904 1.00 50.44 C ATOM 909 O LEU A 63 -1.774 4.233 9.044 1.00 74.21 O ATOM 910 CB LEU A 63 -0.629 1.896 7.646 1.00 2.22 C ATOM 911 CG LEU A 63 -2.010 1.550 7.051 1.00 11.41 C ATOM 912 CD1 LEU A 63 -2.129 1.900 5.561 1.00 21.03 C ATOM 913 CD2 LEU A 63 -2.302 0.056 7.280 1.00 3.45 C ATOM 0 H LEU A 63 1.185 2.885 8.974 1.00 3.23 H new ATOM 0 HA LEU A 63 0.051 3.520 6.430 1.00 42.13 H new ATOM 0 HB2 LEU A 63 0.120 1.257 7.179 1.00 2.22 H new ATOM 0 HB3 LEU A 63 -0.638 1.653 8.708 1.00 2.22 H new ATOM 0 HG LEU A 63 -2.751 2.162 7.566 1.00 11.41 H new ATOM 0 HD11 LEU A 63 -3.123 1.632 5.203 1.00 21.03 H new ATOM 0 HD12 LEU A 63 -1.970 2.970 5.425 1.00 21.03 H new ATOM 0 HD13 LEU A 63 -1.379 1.347 4.996 1.00 21.03 H new ATOM 0 HD21 LEU A 63 -3.277 -0.193 6.861 1.00 3.45 H new ATOM 0 HD22 LEU A 63 -1.534 -0.544 6.792 1.00 3.45 H new ATOM 0 HD23 LEU A 63 -2.302 -0.155 8.349 1.00 3.45 H new ATOM 924 N VAL A 64 -1.750 5.200 7.009 1.00 1.42 N ATOM 925 CA VAL A 64 -2.930 6.028 7.229 1.00 1.33 C ATOM 926 C VAL A 64 -4.011 5.580 6.243 1.00 54.12 C ATOM 927 O VAL A 64 -3.714 5.132 5.128 1.00 44.21 O ATOM 928 CB VAL A 64 -2.566 7.529 7.144 1.00 10.41 C ATOM 929 CG1 VAL A 64 -3.784 8.448 7.340 1.00 70.11 C ATOM 930 CG2 VAL A 64 -1.533 7.896 8.221 1.00 22.40 C ATOM 0 H VAL A 64 -1.298 5.358 6.108 1.00 1.42 H new ATOM 0 HA VAL A 64 -3.330 5.898 8.235 1.00 1.33 H new ATOM 0 HB VAL A 64 -2.164 7.681 6.143 1.00 10.41 H new ATOM 0 HG11 VAL A 64 -3.469 9.489 7.270 1.00 70.11 H new ATOM 0 HG12 VAL A 64 -4.525 8.240 6.568 1.00 70.11 H new ATOM 0 HG13 VAL A 64 -4.223 8.266 8.321 1.00 70.11 H new ATOM 0 HG21 VAL A 64 -1.289 8.956 8.145 1.00 22.40 H new ATOM 0 HG22 VAL A 64 -1.947 7.688 9.208 1.00 22.40 H new ATOM 0 HG23 VAL A 64 -0.629 7.305 8.075 1.00 22.40 H new ATOM 940 N TYR A 65 -5.274 5.672 6.664 1.00 64.12 N ATOM 941 CA TYR A 65 -6.417 5.310 5.852 1.00 3.52 C ATOM 942 C TYR A 65 -7.569 6.286 6.032 1.00 1.51 C ATOM 943 O TYR A 65 -7.823 6.814 7.121 1.00 2.10 O ATOM 944 CB TYR A 65 -6.835 3.861 6.154 1.00 21.41 C ATOM 945 CG TYR A 65 -7.385 3.601 7.543 1.00 52.51 C ATOM 946 CD1 TYR A 65 -8.703 3.988 7.857 1.00 3.32 C ATOM 947 CD2 TYR A 65 -6.594 2.954 8.510 1.00 74.43 C ATOM 948 CE1 TYR A 65 -9.228 3.728 9.135 1.00 31.00 C ATOM 949 CE2 TYR A 65 -7.114 2.698 9.791 1.00 72.35 C ATOM 950 CZ TYR A 65 -8.432 3.091 10.115 1.00 1.42 C ATOM 951 OH TYR A 65 -8.922 2.854 11.363 1.00 72.12 O ATOM 0 H TYR A 65 -5.526 6.006 7.594 1.00 64.12 H new ATOM 0 HA TYR A 65 -6.129 5.370 4.802 1.00 3.52 H new ATOM 0 HB2 TYR A 65 -7.589 3.562 5.425 1.00 21.41 H new ATOM 0 HB3 TYR A 65 -5.970 3.215 6.001 1.00 21.41 H new ATOM 0 HD1 TYR A 65 -9.311 4.485 7.115 1.00 3.32 H new ATOM 0 HD2 TYR A 65 -5.585 2.653 8.268 1.00 74.43 H new ATOM 0 HE1 TYR A 65 -10.242 4.016 9.369 1.00 31.00 H new ATOM 0 HE2 TYR A 65 -6.504 2.199 10.530 1.00 72.35 H new ATOM 0 HH TYR A 65 -8.237 2.408 11.904 1.00 72.12 H new ATOM 960 N GLU A 66 -8.302 6.471 4.939 1.00 24.23 N ATOM 961 CA GLU A 66 -9.553 7.188 4.813 1.00 31.04 C ATOM 962 C GLU A 66 -10.369 6.535 3.675 1.00 50.03 C ATOM 963 O GLU A 66 -9.847 5.705 2.925 1.00 71.54 O ATOM 964 CB GLU A 66 -9.235 8.673 4.567 1.00 52.31 C ATOM 965 CG GLU A 66 -10.423 9.540 4.992 1.00 11.41 C ATOM 966 CD GLU A 66 -10.289 11.056 4.773 1.00 31.01 C ATOM 967 OE1 GLU A 66 -9.434 11.525 3.991 1.00 50.22 O ATOM 968 OE2 GLU A 66 -11.086 11.781 5.412 1.00 3.44 O ATOM 0 H GLU A 66 -8.004 6.086 4.043 1.00 24.23 H new ATOM 0 HA GLU A 66 -10.159 7.135 5.717 1.00 31.04 H new ATOM 0 HB2 GLU A 66 -8.345 8.961 5.127 1.00 52.31 H new ATOM 0 HB3 GLU A 66 -9.014 8.836 3.512 1.00 52.31 H new ATOM 0 HG2 GLU A 66 -11.305 9.196 4.452 1.00 11.41 H new ATOM 0 HG3 GLU A 66 -10.609 9.365 6.052 1.00 11.41 H new ATOM 973 N GLU A 67 -11.654 6.866 3.555 1.00 53.22 N ATOM 974 CA GLU A 67 -12.575 6.475 2.488 1.00 21.50 C ATOM 975 C GLU A 67 -12.456 7.539 1.390 1.00 34.41 C ATOM 976 O GLU A 67 -12.418 8.724 1.727 1.00 42.12 O ATOM 977 CB GLU A 67 -13.984 6.406 3.125 1.00 42.35 C ATOM 978 CG GLU A 67 -15.040 5.635 2.320 1.00 24.53 C ATOM 979 CD GLU A 67 -16.340 5.444 3.118 1.00 13.31 C ATOM 980 OE1 GLU A 67 -17.029 6.453 3.411 1.00 34.33 O ATOM 981 OE2 GLU A 67 -16.645 4.288 3.504 1.00 73.42 O ATOM 0 H GLU A 67 -12.111 7.456 4.250 1.00 53.22 H new ATOM 0 HA GLU A 67 -12.360 5.506 2.038 1.00 21.50 H new ATOM 0 HB2 GLU A 67 -13.896 5.946 4.109 1.00 42.35 H new ATOM 0 HB3 GLU A 67 -14.343 7.423 3.280 1.00 42.35 H new ATOM 0 HG2 GLU A 67 -15.256 6.172 1.396 1.00 24.53 H new ATOM 0 HG3 GLU A 67 -14.641 4.661 2.037 1.00 24.53 H new ATOM 986 N GLU A 68 -12.367 7.167 0.104 1.00 11.11 N ATOM 987 CA GLU A 68 -12.303 8.164 -0.967 1.00 22.21 C ATOM 988 C GLU A 68 -13.706 8.710 -1.216 1.00 43.25 C ATOM 989 O GLU A 68 -14.545 8.027 -1.813 1.00 41.45 O ATOM 990 CB GLU A 68 -11.641 7.672 -2.277 1.00 65.55 C ATOM 991 CG GLU A 68 -10.917 8.907 -2.868 1.00 2.03 C ATOM 992 CD GLU A 68 -10.175 8.702 -4.192 1.00 64.54 C ATOM 993 OE1 GLU A 68 -9.206 7.922 -4.265 1.00 14.04 O ATOM 994 OE2 GLU A 68 -10.498 9.431 -5.160 1.00 24.40 O ATOM 0 H GLU A 68 -12.338 6.198 -0.213 1.00 11.11 H new ATOM 0 HA GLU A 68 -11.640 8.957 -0.623 1.00 22.21 H new ATOM 0 HB2 GLU A 68 -10.938 6.862 -2.081 1.00 65.55 H new ATOM 0 HB3 GLU A 68 -12.387 7.285 -2.972 1.00 65.55 H new ATOM 0 HG2 GLU A 68 -11.654 9.698 -3.010 1.00 2.03 H new ATOM 0 HG3 GLU A 68 -10.201 9.267 -2.129 1.00 2.03 H new ATOM 999 N VAL A 69 -13.972 9.934 -0.768 1.00 24.13 N ATOM 1000 CA VAL A 69 -15.286 10.574 -0.799 1.00 62.44 C ATOM 1001 C VAL A 69 -15.196 12.003 -1.361 1.00 33.53 C ATOM 1002 O VAL A 69 -16.045 12.849 -1.065 1.00 33.10 O ATOM 1003 CB VAL A 69 -15.939 10.489 0.594 1.00 52.13 C ATOM 1004 CG1 VAL A 69 -16.272 9.040 0.978 1.00 73.31 C ATOM 1005 CG2 VAL A 69 -15.108 11.121 1.717 1.00 22.20 C ATOM 0 H VAL A 69 -13.253 10.530 -0.358 1.00 24.13 H new ATOM 0 HA VAL A 69 -15.941 10.039 -1.486 1.00 62.44 H new ATOM 0 HB VAL A 69 -16.855 11.072 0.498 1.00 52.13 H new ATOM 0 HG11 VAL A 69 -16.731 9.022 1.967 1.00 73.31 H new ATOM 0 HG12 VAL A 69 -16.965 8.620 0.249 1.00 73.31 H new ATOM 0 HG13 VAL A 69 -15.357 8.448 0.992 1.00 73.31 H new ATOM 0 HG21 VAL A 69 -15.638 11.019 2.664 1.00 22.20 H new ATOM 0 HG22 VAL A 69 -14.144 10.616 1.785 1.00 22.20 H new ATOM 0 HG23 VAL A 69 -14.950 12.178 1.502 1.00 22.20 H new ATOM 1015 N LEU A 70 -14.184 12.235 -2.203 1.00 52.04 N ATOM 1016 CA LEU A 70 -13.646 13.514 -2.641 1.00 52.31 C ATOM 1017 C LEU A 70 -13.238 14.391 -1.470 1.00 41.34 C ATOM 1018 O LEU A 70 -13.204 13.940 -0.305 1.00 74.31 O ATOM 1019 CB LEU A 70 -14.618 14.221 -3.598 1.00 65.14 C ATOM 1020 CG LEU A 70 -14.929 13.487 -4.911 1.00 32.14 C ATOM 1021 CD1 LEU A 70 -15.815 14.388 -5.776 1.00 44.12 C ATOM 1022 CD2 LEU A 70 -13.663 13.120 -5.690 1.00 1.41 C ATOM 0 H LEU A 70 -13.680 11.458 -2.630 1.00 52.04 H new ATOM 0 HA LEU A 70 -12.732 13.316 -3.201 1.00 52.31 H new ATOM 0 HB2 LEU A 70 -15.556 14.391 -3.070 1.00 65.14 H new ATOM 0 HB3 LEU A 70 -14.207 15.201 -3.842 1.00 65.14 H new ATOM 0 HG LEU A 70 -15.437 12.555 -4.664 1.00 32.14 H new ATOM 0 HD11 LEU A 70 -16.045 13.881 -6.713 1.00 44.12 H new ATOM 0 HD12 LEU A 70 -16.741 14.606 -5.244 1.00 44.12 H new ATOM 0 HD13 LEU A 70 -15.290 15.320 -5.987 1.00 44.12 H new ATOM 0 HD21 LEU A 70 -13.938 12.603 -6.609 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -13.111 14.027 -5.935 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -13.037 12.468 -5.081 1.00 1.41 H new TER 1033 LEU A 70