USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 917 hydrogens (30 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 82 THR OG1 : rot -101:sc= 1.2 USER MOD Set 1.2: A 83 ASN : amide:sc= -11.4! C(o=-10!,f=-1.9!) USER MOD Set 2.1: A 18 ASN : amide:sc= -2.98! C(o=-5.1!,f=-4.6!) USER MOD Set 2.2: A 19 ASN : amide:sc= -2.1 K(o=-5.1,f=-9.2!) USER MOD Set 2.3: A 20 SER OG : rot 180:sc= -0.0093 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.01 (180deg=0.731) USER MOD Single : A 6 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.059) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.0265 (180deg=-0.308) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 24 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.23) USER MOD Single : A 28 ASN : amide:sc= -2.7! C(o=-2.7!,f=-1.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.16! C(o=-1.2!,f=-8.4!) USER MOD Single : A 33 ASN : amide:sc= -0.66 K(o=-0.66,f=-2.3) USER MOD Single : A 38 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.082) USER MOD Single : A 39 SER OG : rot 180:sc= 0.198 USER MOD Single : A 48 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.7!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -73:sc= 0.857 USER MOD Single : A 70 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.11) USER MOD Single : A 74 THR OG1 : rot 86:sc= 0.807 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= -0.0154 (180deg=-0.335) USER MOD Single : A 84 ASN : amide:sc= -0.859 K(o=-0.86,f=-0.034) USER MOD Single : A 86 THR OG1 : rot -77:sc= -0.714! USER MOD Single : A 87 HIS : no HD1:sc= -0.807 K(o=-0.81,f=-0.18) USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.584) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 96 SER OG : rot -33:sc= -0.428 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.023) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -2.98! C(o=-3!,f=-9.4!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.753 USER MOD Single : A 108 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.24) USER MOD Single : A 109 ASN : amide:sc= -0.11 K(o=-0.11,f=-4.5!) USER MOD Single : A 110 ASN : amide:sc=-0.00997 X(o=-0.01,f=-0.17) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.943 2.391 -23.089 1.00 1.00 N ATOM 2 CA MET A 1 16.278 3.630 -22.328 1.00 1.00 C ATOM 3 C MET A 1 15.040 4.514 -22.229 1.00 1.00 C ATOM 4 O MET A 1 13.983 4.179 -22.763 1.00 1.00 O ATOM 5 CB MET A 1 17.402 4.380 -23.047 1.00 1.00 C ATOM 6 CG MET A 1 17.307 4.127 -24.554 1.00 1.00 C ATOM 7 SD MET A 1 15.633 4.510 -25.127 1.00 1.00 S ATOM 8 CE MET A 1 16.102 5.286 -26.694 1.00 1.00 C ATOM 0 H1 MET A 1 16.818 1.878 -23.319 1.00 1.00 H new ATOM 0 H2 MET A 1 15.327 1.784 -22.511 1.00 1.00 H new ATOM 0 H3 MET A 1 15.450 2.646 -23.968 1.00 1.00 H new ATOM 0 HA MET A 1 16.610 3.367 -21.324 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.329 5.448 -22.842 1.00 1.00 H new ATOM 0 HB3 MET A 1 18.371 4.049 -22.673 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.034 4.743 -25.083 1.00 1.00 H new ATOM 0 HG3 MET A 1 17.549 3.088 -24.775 1.00 1.00 H new ATOM 0 HE1 MET A 1 15.205 5.606 -27.225 1.00 1.00 H new ATOM 0 HE2 MET A 1 16.734 6.151 -26.496 1.00 1.00 H new ATOM 0 HE3 MET A 1 16.649 4.569 -27.306 1.00 1.00 H new ATOM 20 N ASP A 2 15.181 5.644 -21.545 1.00 1.00 N ATOM 21 CA ASP A 2 14.067 6.572 -21.383 1.00 1.00 C ATOM 22 C ASP A 2 12.777 5.814 -21.078 1.00 1.00 C ATOM 23 O ASP A 2 11.808 5.890 -21.834 1.00 1.00 O ATOM 24 CB ASP A 2 13.885 7.396 -22.658 1.00 1.00 C ATOM 25 CG ASP A 2 13.118 8.677 -22.347 1.00 1.00 C ATOM 26 OD1 ASP A 2 12.436 8.704 -21.335 1.00 1.00 O ATOM 27 OD2 ASP A 2 13.224 9.612 -23.123 1.00 1.00 O ATOM 0 H ASP A 2 16.049 5.938 -21.097 1.00 1.00 H new ATOM 0 HA ASP A 2 14.291 7.237 -20.549 1.00 1.00 H new ATOM 0 HB2 ASP A 2 14.858 7.640 -23.085 1.00 1.00 H new ATOM 0 HB3 ASP A 2 13.346 6.812 -23.404 1.00 1.00 H new ATOM 32 N PRO A 3 12.752 5.089 -19.991 1.00 1.00 N ATOM 33 CA PRO A 3 11.557 4.300 -19.576 1.00 1.00 C ATOM 34 C PRO A 3 10.445 5.189 -19.023 1.00 1.00 C ATOM 35 O PRO A 3 9.445 4.695 -18.501 1.00 1.00 O ATOM 36 CB PRO A 3 12.099 3.366 -18.494 1.00 1.00 C ATOM 37 CG PRO A 3 13.286 4.070 -17.922 1.00 1.00 C ATOM 38 CD PRO A 3 13.862 4.944 -19.037 1.00 1.00 C ATOM 0 HA PRO A 3 11.104 3.770 -20.414 1.00 1.00 H new ATOM 0 HB2 PRO A 3 11.348 3.175 -17.727 1.00 1.00 H new ATOM 0 HB3 PRO A 3 12.379 2.400 -18.913 1.00 1.00 H new ATOM 0 HG2 PRO A 3 12.998 4.678 -17.064 1.00 1.00 H new ATOM 0 HG3 PRO A 3 14.028 3.353 -17.570 1.00 1.00 H new ATOM 0 HD2 PRO A 3 14.189 5.912 -18.656 1.00 1.00 H new ATOM 0 HD3 PRO A 3 14.729 4.475 -19.503 1.00 1.00 H new ATOM 46 N GLU A 4 10.628 6.499 -19.140 1.00 1.00 N ATOM 47 CA GLU A 4 9.635 7.447 -18.648 1.00 1.00 C ATOM 48 C GLU A 4 8.308 7.260 -19.376 1.00 1.00 C ATOM 49 O GLU A 4 7.241 7.295 -18.762 1.00 1.00 O ATOM 50 CB GLU A 4 10.135 8.879 -18.851 1.00 1.00 C ATOM 51 CG GLU A 4 11.458 9.068 -18.111 1.00 1.00 C ATOM 52 CD GLU A 4 11.250 9.959 -16.889 1.00 1.00 C ATOM 53 OE1 GLU A 4 10.231 9.807 -16.237 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.112 10.780 -16.626 1.00 1.00 O ATOM 0 H GLU A 4 11.449 6.927 -19.568 1.00 1.00 H new ATOM 0 HA GLU A 4 9.481 7.264 -17.585 1.00 1.00 H new ATOM 0 HB2 GLU A 4 10.269 9.081 -19.914 1.00 1.00 H new ATOM 0 HB3 GLU A 4 9.395 9.589 -18.482 1.00 1.00 H new ATOM 0 HG2 GLU A 4 11.853 8.100 -17.803 1.00 1.00 H new ATOM 0 HG3 GLU A 4 12.196 9.516 -18.777 1.00 1.00 H new ATOM 61 N LEU A 5 8.382 7.066 -20.689 1.00 1.00 N ATOM 62 CA LEU A 5 7.179 6.875 -21.491 1.00 1.00 C ATOM 63 C LEU A 5 6.607 5.477 -21.279 1.00 1.00 C ATOM 64 O LEU A 5 5.392 5.298 -21.190 1.00 1.00 O ATOM 65 CB LEU A 5 7.502 7.076 -22.973 1.00 1.00 C ATOM 66 CG LEU A 5 8.368 8.326 -23.141 1.00 1.00 C ATOM 67 CD1 LEU A 5 8.643 8.560 -24.628 1.00 1.00 C ATOM 68 CD2 LEU A 5 7.632 9.536 -22.563 1.00 1.00 C ATOM 0 H LEU A 5 9.255 7.037 -21.217 1.00 1.00 H new ATOM 0 HA LEU A 5 6.437 7.609 -21.177 1.00 1.00 H new ATOM 0 HB2 LEU A 5 8.025 6.203 -23.364 1.00 1.00 H new ATOM 0 HB3 LEU A 5 6.581 7.179 -23.546 1.00 1.00 H new ATOM 0 HG LEU A 5 9.312 8.188 -22.614 1.00 1.00 H new ATOM 0 HD11 LEU A 5 9.260 9.451 -24.748 1.00 1.00 H new ATOM 0 HD12 LEU A 5 9.166 7.698 -25.041 1.00 1.00 H new ATOM 0 HD13 LEU A 5 7.699 8.699 -25.155 1.00 1.00 H new ATOM 0 HD21 LEU A 5 8.248 10.427 -22.682 1.00 1.00 H new ATOM 0 HD22 LEU A 5 6.688 9.674 -23.091 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.435 9.370 -21.504 1.00 1.00 H new ATOM 80 N GLN A 6 7.491 4.487 -21.201 1.00 1.00 N ATOM 81 CA GLN A 6 7.063 3.107 -21.001 1.00 1.00 C ATOM 82 C GLN A 6 6.355 2.953 -19.658 1.00 1.00 C ATOM 83 O GLN A 6 5.454 2.128 -19.512 1.00 1.00 O ATOM 84 CB GLN A 6 8.272 2.172 -21.054 1.00 1.00 C ATOM 85 CG GLN A 6 8.842 2.154 -22.474 1.00 1.00 C ATOM 86 CD GLN A 6 8.602 0.791 -23.115 1.00 1.00 C ATOM 87 OE1 GLN A 6 8.122 0.711 -24.246 1.00 1.00 O ATOM 88 NE2 GLN A 6 8.908 -0.293 -22.455 1.00 1.00 N ATOM 0 H GLN A 6 8.501 4.613 -21.273 1.00 1.00 H new ATOM 0 HA GLN A 6 6.366 2.844 -21.797 1.00 1.00 H new ATOM 0 HB2 GLN A 6 9.034 2.505 -20.349 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.980 1.165 -20.755 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.373 2.934 -23.073 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.910 2.370 -22.449 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.306 -0.225 -21.518 1.00 1.00 H new ATOM 0 HE22 GLN A 6 8.750 -1.208 -22.876 1.00 1.00 H new ATOM 97 N CYS A 7 6.771 3.751 -18.681 1.00 1.00 N ATOM 98 CA CYS A 7 6.170 3.693 -17.353 1.00 1.00 C ATOM 99 C CYS A 7 4.674 3.979 -17.427 1.00 1.00 C ATOM 100 O CYS A 7 3.857 3.194 -16.948 1.00 1.00 O ATOM 101 CB CYS A 7 6.841 4.712 -16.430 1.00 1.00 C ATOM 102 SG CYS A 7 6.624 4.200 -14.708 1.00 1.00 S ATOM 0 H CYS A 7 7.516 4.441 -18.781 1.00 1.00 H new ATOM 0 HA CYS A 7 6.317 2.689 -16.954 1.00 1.00 H new ATOM 0 HB2 CYS A 7 7.902 4.790 -16.667 1.00 1.00 H new ATOM 0 HB3 CYS A 7 6.407 5.700 -16.584 1.00 1.00 H new ATOM 107 N ILE A 8 4.323 5.108 -18.035 1.00 1.00 N ATOM 108 CA ILE A 8 2.920 5.488 -18.168 1.00 1.00 C ATOM 109 C ILE A 8 2.169 4.472 -19.023 1.00 1.00 C ATOM 110 O ILE A 8 0.991 4.203 -18.793 1.00 1.00 O ATOM 111 CB ILE A 8 2.813 6.875 -18.804 1.00 1.00 C ATOM 112 CG1 ILE A 8 3.025 7.944 -17.729 1.00 1.00 C ATOM 113 CG2 ILE A 8 1.426 7.049 -19.425 1.00 1.00 C ATOM 114 CD1 ILE A 8 4.375 7.722 -17.044 1.00 1.00 C ATOM 0 H ILE A 8 4.984 5.771 -18.440 1.00 1.00 H new ATOM 0 HA ILE A 8 2.472 5.510 -17.174 1.00 1.00 H new ATOM 0 HB ILE A 8 3.573 6.978 -19.579 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.992 8.937 -18.178 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.221 7.900 -16.994 1.00 1.00 H new ATOM 0 HG21 ILE A 8 1.351 8.038 -19.878 1.00 1.00 H new ATOM 0 HG22 ILE A 8 1.271 6.287 -20.189 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.665 6.946 -18.651 1.00 1.00 H new ATOM 0 HD11 ILE A 8 4.524 8.484 -16.279 1.00 1.00 H new ATOM 0 HD12 ILE A 8 4.390 6.735 -16.581 1.00 1.00 H new ATOM 0 HD13 ILE A 8 5.173 7.789 -17.783 1.00 1.00 H new ATOM 126 N ARG A 9 2.860 3.913 -20.011 1.00 1.00 N ATOM 127 CA ARG A 9 2.249 2.929 -20.896 1.00 1.00 C ATOM 128 C ARG A 9 1.817 1.694 -20.110 1.00 1.00 C ATOM 129 O ARG A 9 0.832 1.041 -20.453 1.00 1.00 O ATOM 130 CB ARG A 9 3.241 2.519 -21.987 1.00 1.00 C ATOM 131 CG ARG A 9 2.615 1.433 -22.865 1.00 1.00 C ATOM 132 CD ARG A 9 3.462 1.243 -24.124 1.00 1.00 C ATOM 133 NE ARG A 9 2.871 1.962 -25.245 1.00 1.00 N ATOM 134 CZ ARG A 9 1.707 1.587 -25.766 1.00 1.00 C ATOM 135 NH1 ARG A 9 1.074 0.556 -25.274 1.00 1.00 N ATOM 136 NH2 ARG A 9 1.196 2.248 -26.768 1.00 1.00 N ATOM 0 H ARG A 9 3.837 4.123 -20.218 1.00 1.00 H new ATOM 0 HA ARG A 9 1.369 3.380 -21.355 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.507 3.384 -22.595 1.00 1.00 H new ATOM 0 HB3 ARG A 9 4.162 2.150 -21.536 1.00 1.00 H new ATOM 0 HG2 ARG A 9 2.551 0.496 -22.312 1.00 1.00 H new ATOM 0 HG3 ARG A 9 1.597 1.713 -23.137 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.475 1.603 -23.946 1.00 1.00 H new ATOM 0 HD3 ARG A 9 3.538 0.182 -24.363 1.00 1.00 H new ATOM 0 HE ARG A 9 3.359 2.767 -25.637 1.00 1.00 H new ATOM 0 HH11 ARG A 9 1.473 0.039 -24.490 1.00 1.00 H new ATOM 0 HH12 ARG A 9 0.181 0.268 -25.673 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.690 3.053 -27.152 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.303 1.959 -27.167 1.00 1.00 H new ATOM 150 N GLU A 10 2.564 1.378 -19.055 1.00 1.00 N ATOM 151 CA GLU A 10 2.249 0.220 -18.228 1.00 1.00 C ATOM 152 C GLU A 10 0.927 0.427 -17.496 1.00 1.00 C ATOM 153 O GLU A 10 0.091 -0.475 -17.438 1.00 1.00 O ATOM 154 CB GLU A 10 3.367 -0.016 -17.212 1.00 1.00 C ATOM 155 CG GLU A 10 4.679 -0.291 -17.949 1.00 1.00 C ATOM 156 CD GLU A 10 5.100 -1.740 -17.740 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.071 -2.190 -16.606 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.446 -2.383 -18.719 1.00 1.00 O ATOM 0 H GLU A 10 3.385 1.904 -18.756 1.00 1.00 H new ATOM 0 HA GLU A 10 2.158 -0.652 -18.876 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.476 0.856 -16.567 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.116 -0.859 -16.569 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.557 -0.089 -19.013 1.00 1.00 H new ATOM 0 HG3 GLU A 10 5.458 0.379 -17.584 1.00 1.00 H new ATOM 165 N CYS A 11 0.746 1.618 -16.936 1.00 1.00 N ATOM 166 CA CYS A 11 -0.479 1.930 -16.207 1.00 1.00 C ATOM 167 C CYS A 11 -1.619 2.223 -17.178 1.00 1.00 C ATOM 168 O CYS A 11 -2.783 1.944 -16.886 1.00 1.00 O ATOM 169 CB CYS A 11 -0.254 3.142 -15.302 1.00 1.00 C ATOM 170 SG CYS A 11 -1.208 2.939 -13.775 1.00 1.00 S ATOM 0 H CYS A 11 1.425 2.378 -16.972 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.747 1.067 -15.598 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.806 3.245 -15.070 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.558 4.054 -15.815 1.00 1.00 H new ATOM 175 N ARG A 12 -1.279 2.784 -18.333 1.00 1.00 N ATOM 176 CA ARG A 12 -2.283 3.110 -19.339 1.00 1.00 C ATOM 177 C ARG A 12 -2.981 1.845 -19.826 1.00 1.00 C ATOM 178 O ARG A 12 -4.184 1.849 -20.090 1.00 1.00 O ATOM 179 CB ARG A 12 -1.626 3.821 -20.523 1.00 1.00 C ATOM 180 CG ARG A 12 -2.699 4.526 -21.354 1.00 1.00 C ATOM 181 CD ARG A 12 -2.043 5.259 -22.525 1.00 1.00 C ATOM 182 NE ARG A 12 -2.836 5.087 -23.736 1.00 1.00 N ATOM 183 CZ ARG A 12 -2.337 5.382 -24.933 1.00 1.00 C ATOM 184 NH1 ARG A 12 -1.118 5.836 -25.039 1.00 1.00 N ATOM 185 NH2 ARG A 12 -3.067 5.219 -26.003 1.00 1.00 N ATOM 0 H ARG A 12 -0.322 3.021 -18.595 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.023 3.770 -18.886 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -0.894 4.545 -20.165 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -1.088 3.101 -21.140 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -3.421 3.799 -21.726 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -3.249 5.232 -20.732 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -1.948 6.319 -22.292 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -1.035 4.876 -22.684 1.00 1.00 H new ATOM 0 HE ARG A 12 -3.790 4.734 -23.664 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -0.547 5.965 -24.203 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -0.736 6.062 -25.957 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -4.020 4.865 -25.921 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -2.684 5.445 -26.921 1.00 1.00 H new ATOM 199 N LEU A 13 -2.218 0.763 -19.946 1.00 1.00 N ATOM 200 CA LEU A 13 -2.774 -0.506 -20.403 1.00 1.00 C ATOM 201 C LEU A 13 -3.755 -1.059 -19.374 1.00 1.00 C ATOM 202 O LEU A 13 -4.750 -1.690 -19.729 1.00 1.00 O ATOM 203 CB LEU A 13 -1.643 -1.515 -20.637 1.00 1.00 C ATOM 204 CG LEU A 13 -2.201 -2.803 -21.262 1.00 1.00 C ATOM 205 CD1 LEU A 13 -2.777 -2.509 -22.650 1.00 1.00 C ATOM 206 CD2 LEU A 13 -1.074 -3.829 -21.388 1.00 1.00 C ATOM 0 H LEU A 13 -1.220 0.739 -19.735 1.00 1.00 H new ATOM 0 HA LEU A 13 -3.307 -0.337 -21.339 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.889 -1.081 -21.293 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -1.150 -1.745 -19.693 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.993 -3.196 -20.625 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.170 -3.429 -23.083 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -3.580 -1.777 -22.563 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.992 -2.111 -23.293 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -1.464 -4.745 -21.831 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.285 -3.426 -22.023 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.669 -4.048 -20.400 1.00 1.00 H new ATOM 218 N ALA A 14 -3.466 -0.819 -18.099 1.00 1.00 N ATOM 219 CA ALA A 14 -4.330 -1.298 -17.027 1.00 1.00 C ATOM 220 C ALA A 14 -5.567 -0.413 -16.899 1.00 1.00 C ATOM 221 O ALA A 14 -6.620 -0.865 -16.452 1.00 1.00 O ATOM 222 CB ALA A 14 -3.564 -1.304 -15.703 1.00 1.00 C ATOM 0 H ALA A 14 -2.646 -0.300 -17.785 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.648 -2.313 -17.267 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.216 -1.663 -14.907 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -2.698 -1.961 -15.787 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.231 -0.292 -15.471 1.00 1.00 H new ATOM 228 N GLN A 15 -5.429 0.848 -17.295 1.00 1.00 N ATOM 229 CA GLN A 15 -6.543 1.787 -17.219 1.00 1.00 C ATOM 230 C GLN A 15 -7.556 1.506 -18.324 1.00 1.00 C ATOM 231 O GLN A 15 -8.679 2.011 -18.291 1.00 1.00 O ATOM 232 CB GLN A 15 -6.025 3.222 -17.351 1.00 1.00 C ATOM 233 CG GLN A 15 -7.064 4.193 -16.790 1.00 1.00 C ATOM 234 CD GLN A 15 -7.104 5.460 -17.638 1.00 1.00 C ATOM 235 OE1 GLN A 15 -7.954 5.593 -18.518 1.00 1.00 O ATOM 236 NE2 GLN A 15 -6.228 6.404 -17.425 1.00 1.00 N ATOM 0 H GLN A 15 -4.565 1.241 -17.669 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.033 1.665 -16.253 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.083 3.331 -16.814 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.824 3.453 -18.397 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -8.047 3.721 -16.779 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -6.820 4.444 -15.758 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -5.524 6.292 -16.695 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -6.247 7.254 -17.988 1.00 1.00 H new ATOM 245 N LEU A 16 -7.154 0.698 -19.299 1.00 1.00 N ATOM 246 CA LEU A 16 -8.036 0.357 -20.408 1.00 1.00 C ATOM 247 C LEU A 16 -8.861 -0.883 -20.076 1.00 1.00 C ATOM 248 O LEU A 16 -8.333 -1.875 -19.571 1.00 1.00 O ATOM 249 CB LEU A 16 -7.213 0.101 -21.672 1.00 1.00 C ATOM 250 CG LEU A 16 -7.764 0.945 -22.822 1.00 1.00 C ATOM 251 CD1 LEU A 16 -6.944 0.679 -24.087 1.00 1.00 C ATOM 252 CD2 LEU A 16 -9.225 0.572 -23.076 1.00 1.00 C ATOM 0 H LEU A 16 -6.229 0.270 -19.344 1.00 1.00 H new ATOM 0 HA LEU A 16 -8.712 1.194 -20.579 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.167 0.350 -21.494 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -7.249 -0.956 -21.934 1.00 1.00 H new ATOM 0 HG LEU A 16 -7.699 2.001 -22.560 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -7.336 1.280 -24.908 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -5.902 0.945 -23.908 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -7.009 -0.377 -24.348 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -9.617 1.174 -23.896 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -9.291 -0.484 -23.338 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -9.810 0.760 -22.176 1.00 1.00 H new ATOM 264 N LYS A 17 -10.158 -0.820 -20.364 1.00 1.00 N ATOM 265 CA LYS A 17 -11.046 -1.944 -20.090 1.00 1.00 C ATOM 266 C LYS A 17 -10.966 -2.345 -18.621 1.00 1.00 C ATOM 267 O LYS A 17 -10.032 -3.032 -18.203 1.00 1.00 O ATOM 268 CB LYS A 17 -10.662 -3.138 -20.968 1.00 1.00 C ATOM 269 CG LYS A 17 -11.850 -3.527 -21.852 1.00 1.00 C ATOM 270 CD LYS A 17 -12.159 -2.388 -22.824 1.00 1.00 C ATOM 271 CE LYS A 17 -11.974 -2.879 -24.261 1.00 1.00 C ATOM 272 NZ LYS A 17 -10.550 -3.263 -24.476 1.00 1.00 N ATOM 0 H LYS A 17 -10.614 -0.010 -20.783 1.00 1.00 H new ATOM 0 HA LYS A 17 -12.068 -1.639 -20.316 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -9.802 -2.885 -21.588 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -10.368 -3.982 -20.344 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -11.622 -4.439 -22.404 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -12.723 -3.738 -21.234 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.181 -2.037 -22.677 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -11.500 -1.541 -22.630 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -12.625 -3.733 -24.451 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.261 -2.097 -24.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -10.309 -3.155 -25.482 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -9.935 -2.649 -23.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -10.411 -4.254 -24.192 1.00 1.00 H new ATOM 286 N ASN A 18 -11.950 -1.913 -17.840 1.00 1.00 N ATOM 287 CA ASN A 18 -11.981 -2.233 -16.417 1.00 1.00 C ATOM 288 C ASN A 18 -13.409 -2.522 -15.963 1.00 1.00 C ATOM 289 O ASN A 18 -14.319 -2.637 -16.784 1.00 1.00 O ATOM 290 CB ASN A 18 -11.413 -1.067 -15.608 1.00 1.00 C ATOM 291 CG ASN A 18 -11.013 -1.545 -14.216 1.00 1.00 C ATOM 292 OD1 ASN A 18 -10.132 -2.395 -14.080 1.00 1.00 O ATOM 293 ND2 ASN A 18 -11.609 -1.046 -13.168 1.00 1.00 N ATOM 0 H ASN A 18 -12.732 -1.344 -18.165 1.00 1.00 H new ATOM 0 HA ASN A 18 -11.372 -3.122 -16.250 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -10.548 -0.646 -16.120 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -12.155 -0.272 -15.530 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -11.346 -1.360 -12.234 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -12.338 -0.342 -13.283 1.00 1.00 H new ATOM 300 N ASN A 19 -13.596 -2.636 -14.653 1.00 1.00 N ATOM 301 CA ASN A 19 -14.918 -2.912 -14.102 1.00 1.00 C ATOM 302 C ASN A 19 -14.859 -2.979 -12.578 1.00 1.00 C ATOM 303 O ASN A 19 -15.010 -1.966 -11.897 1.00 1.00 O ATOM 304 CB ASN A 19 -15.448 -4.237 -14.652 1.00 1.00 C ATOM 305 CG ASN A 19 -14.289 -5.190 -14.925 1.00 1.00 C ATOM 306 OD1 ASN A 19 -13.277 -5.155 -14.225 1.00 1.00 O ATOM 307 ND2 ASN A 19 -14.375 -6.042 -15.909 1.00 1.00 N ATOM 0 H ASN A 19 -12.856 -2.543 -13.957 1.00 1.00 H new ATOM 0 HA ASN A 19 -15.589 -2.104 -14.394 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -16.138 -4.686 -13.938 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -16.009 -4.061 -15.570 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -13.603 -6.681 -16.100 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -15.214 -6.070 -16.488 1.00 1.00 H new ATOM 314 N SER A 20 -14.637 -4.179 -12.052 1.00 1.00 N ATOM 315 CA SER A 20 -14.558 -4.367 -10.608 1.00 1.00 C ATOM 316 C SER A 20 -15.744 -3.705 -9.916 1.00 1.00 C ATOM 317 O SER A 20 -15.679 -3.373 -8.733 1.00 1.00 O ATOM 318 CB SER A 20 -13.256 -3.771 -10.074 1.00 1.00 C ATOM 319 OG SER A 20 -12.296 -3.725 -11.122 1.00 1.00 O ATOM 0 H SER A 20 -14.509 -5.030 -12.599 1.00 1.00 H new ATOM 0 HA SER A 20 -14.580 -5.436 -10.398 1.00 1.00 H new ATOM 0 HB2 SER A 20 -13.434 -2.769 -9.684 1.00 1.00 H new ATOM 0 HB3 SER A 20 -12.880 -4.373 -9.247 1.00 1.00 H new ATOM 0 HG SER A 20 -11.460 -3.342 -10.783 1.00 1.00 H new ATOM 325 N GLY A 21 -16.829 -3.515 -10.662 1.00 1.00 N ATOM 326 CA GLY A 21 -18.025 -2.890 -10.108 1.00 1.00 C ATOM 327 C GLY A 21 -17.837 -1.383 -9.968 1.00 1.00 C ATOM 328 O GLY A 21 -18.272 -0.612 -10.823 1.00 1.00 O ATOM 0 H GLY A 21 -16.904 -3.782 -11.643 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -18.879 -3.095 -10.753 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -18.249 -3.325 -9.134 1.00 1.00 H new ATOM 332 N GLY A 22 -17.187 -0.971 -8.884 1.00 1.00 N ATOM 333 CA GLY A 22 -16.949 0.446 -8.643 1.00 1.00 C ATOM 334 C GLY A 22 -17.915 0.993 -7.602 1.00 1.00 C ATOM 335 O GLY A 22 -18.108 0.401 -6.542 1.00 1.00 O ATOM 0 H GLY A 22 -16.819 -1.593 -8.164 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -15.923 0.594 -8.305 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -17.061 1.001 -9.575 1.00 1.00 H new ATOM 339 N THR A 23 -18.521 2.130 -7.920 1.00 1.00 N ATOM 340 CA THR A 23 -19.468 2.758 -7.015 1.00 1.00 C ATOM 341 C THR A 23 -18.749 3.356 -5.810 1.00 1.00 C ATOM 342 O THR A 23 -18.433 2.652 -4.851 1.00 1.00 O ATOM 343 CB THR A 23 -20.500 1.733 -6.540 1.00 1.00 C ATOM 344 OG1 THR A 23 -20.725 0.781 -7.571 1.00 1.00 O ATOM 345 CG2 THR A 23 -21.812 2.443 -6.204 1.00 1.00 C ATOM 0 H THR A 23 -18.373 2.633 -8.795 1.00 1.00 H new ATOM 0 HA THR A 23 -19.974 3.559 -7.554 1.00 1.00 H new ATOM 0 HB THR A 23 -20.127 1.226 -5.650 1.00 1.00 H new ATOM 0 HG1 THR A 23 -21.384 0.122 -7.269 1.00 1.00 H new ATOM 0 HG21 THR A 23 -22.546 1.711 -5.866 1.00 1.00 H new ATOM 0 HG22 THR A 23 -21.638 3.174 -5.414 1.00 1.00 H new ATOM 0 HG23 THR A 23 -22.189 2.951 -7.092 1.00 1.00 H new ATOM 353 N ASN A 24 -18.494 4.659 -5.866 1.00 1.00 N ATOM 354 CA ASN A 24 -17.811 5.344 -4.775 1.00 1.00 C ATOM 355 C ASN A 24 -16.661 4.496 -4.243 1.00 1.00 C ATOM 356 O ASN A 24 -16.236 3.536 -4.885 1.00 1.00 O ATOM 357 CB ASN A 24 -18.798 5.637 -3.643 1.00 1.00 C ATOM 358 CG ASN A 24 -19.982 6.436 -4.178 1.00 1.00 C ATOM 359 OD1 ASN A 24 -20.982 6.606 -3.481 1.00 1.00 O ATOM 360 ND2 ASN A 24 -19.926 6.942 -5.380 1.00 1.00 N ATOM 0 H ASN A 24 -18.748 5.259 -6.651 1.00 1.00 H new ATOM 0 HA ASN A 24 -17.407 6.282 -5.157 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -19.148 4.703 -3.203 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -18.300 6.196 -2.850 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -20.712 7.480 -5.744 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -19.096 6.799 -5.955 1.00 1.00 H new ATOM 367 N GLY A 25 -16.162 4.858 -3.063 1.00 1.00 N ATOM 368 CA GLY A 25 -15.060 4.127 -2.446 1.00 1.00 C ATOM 369 C GLY A 25 -15.529 3.385 -1.199 1.00 1.00 C ATOM 370 O GLY A 25 -15.954 4.002 -0.222 1.00 1.00 O ATOM 0 H GLY A 25 -16.502 5.650 -2.518 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.644 3.417 -3.161 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.261 4.820 -2.183 1.00 1.00 H new ATOM 374 N ASP A 26 -15.448 2.060 -1.239 1.00 1.00 N ATOM 375 CA ASP A 26 -15.866 1.244 -0.106 1.00 1.00 C ATOM 376 C ASP A 26 -15.279 -0.159 -0.210 1.00 1.00 C ATOM 377 O ASP A 26 -14.965 -0.789 0.801 1.00 1.00 O ATOM 378 CB ASP A 26 -17.392 1.158 -0.058 1.00 1.00 C ATOM 379 CG ASP A 26 -17.826 0.219 1.062 1.00 1.00 C ATOM 380 OD1 ASP A 26 -17.642 -0.978 0.910 1.00 1.00 O ATOM 381 OD2 ASP A 26 -18.336 0.710 2.056 1.00 1.00 O ATOM 0 H ASP A 26 -15.099 1.531 -2.038 1.00 1.00 H new ATOM 0 HA ASP A 26 -15.500 1.712 0.808 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -17.816 2.149 0.103 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -17.775 0.799 -1.013 1.00 1.00 H new ATOM 386 N ARG A 27 -15.131 -0.644 -1.440 1.00 1.00 N ATOM 387 CA ARG A 27 -14.580 -1.975 -1.664 1.00 1.00 C ATOM 388 C ARG A 27 -13.063 -1.959 -1.514 1.00 1.00 C ATOM 389 O ARG A 27 -12.370 -1.200 -2.192 1.00 1.00 O ATOM 390 CB ARG A 27 -14.951 -2.464 -3.066 1.00 1.00 C ATOM 391 CG ARG A 27 -16.455 -2.283 -3.289 1.00 1.00 C ATOM 392 CD ARG A 27 -16.819 -2.738 -4.701 1.00 1.00 C ATOM 393 NE ARG A 27 -18.123 -2.206 -5.082 1.00 1.00 N ATOM 394 CZ ARG A 27 -18.858 -2.793 -6.022 1.00 1.00 C ATOM 395 NH1 ARG A 27 -18.415 -3.863 -6.621 1.00 1.00 N ATOM 396 NH2 ARG A 27 -20.020 -2.297 -6.344 1.00 1.00 N ATOM 0 H ARG A 27 -15.383 -0.139 -2.290 1.00 1.00 H new ATOM 0 HA ARG A 27 -15.000 -2.652 -0.920 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -14.392 -1.906 -3.817 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -14.679 -3.513 -3.180 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -17.015 -2.861 -2.554 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -16.731 -1.238 -3.150 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -16.060 -2.400 -5.407 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -16.835 -3.827 -4.747 1.00 1.00 H new ATOM 0 HE ARG A 27 -18.477 -1.369 -4.619 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -17.505 -4.249 -6.368 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -18.978 -4.314 -7.342 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -20.365 -1.459 -5.875 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -20.584 -2.747 -7.065 1.00 1.00 H new ATOM 410 N ASN A 28 -12.552 -2.801 -0.621 1.00 1.00 N ATOM 411 CA ASN A 28 -11.114 -2.875 -0.391 1.00 1.00 C ATOM 412 C ASN A 28 -10.667 -4.328 -0.262 1.00 1.00 C ATOM 413 O ASN A 28 -10.193 -4.749 0.795 1.00 1.00 O ATOM 414 CB ASN A 28 -10.750 -2.112 0.885 1.00 1.00 C ATOM 415 CG ASN A 28 -11.391 -2.785 2.094 1.00 1.00 C ATOM 416 OD1 ASN A 28 -10.689 -3.227 3.004 1.00 1.00 O ATOM 417 ND2 ASN A 28 -12.690 -2.888 2.160 1.00 1.00 N ATOM 0 H ASN A 28 -13.108 -3.437 -0.049 1.00 1.00 H new ATOM 0 HA ASN A 28 -10.604 -2.424 -1.242 1.00 1.00 H new ATOM 0 HB2 ASN A 28 -9.667 -2.084 1.006 1.00 1.00 H new ATOM 0 HB3 ASN A 28 -11.090 -1.079 0.811 1.00 1.00 H new ATOM 0 HD21 ASN A 28 -13.126 -3.335 2.966 1.00 1.00 H new ATOM 0 HD22 ASN A 28 -13.270 -2.521 1.405 1.00 1.00 H new ATOM 424 N SER A 29 -10.823 -5.087 -1.344 1.00 1.00 N ATOM 425 CA SER A 29 -10.434 -6.494 -1.351 1.00 1.00 C ATOM 426 C SER A 29 -11.525 -7.355 -0.721 1.00 1.00 C ATOM 427 O SER A 29 -12.544 -6.841 -0.258 1.00 1.00 O ATOM 428 CB SER A 29 -9.123 -6.687 -0.587 1.00 1.00 C ATOM 429 OG SER A 29 -8.390 -7.755 -1.178 1.00 1.00 O ATOM 0 H SER A 29 -11.215 -4.752 -2.224 1.00 1.00 H new ATOM 0 HA SER A 29 -10.294 -6.803 -2.387 1.00 1.00 H new ATOM 0 HB2 SER A 29 -8.535 -5.769 -0.612 1.00 1.00 H new ATOM 0 HB3 SER A 29 -9.328 -6.907 0.461 1.00 1.00 H new ATOM 0 HG SER A 29 -7.548 -7.882 -0.693 1.00 1.00 H new ATOM 435 N GLY A 30 -11.304 -8.665 -0.707 1.00 1.00 N ATOM 436 CA GLY A 30 -12.277 -9.586 -0.131 1.00 1.00 C ATOM 437 C GLY A 30 -12.144 -10.973 -0.751 1.00 1.00 C ATOM 438 O GLY A 30 -11.454 -11.840 -0.213 1.00 1.00 O ATOM 0 H GLY A 30 -10.467 -9.110 -1.084 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -12.130 -9.649 0.947 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -13.285 -9.205 -0.294 1.00 1.00 H new ATOM 442 N ALA A 31 -12.811 -11.178 -1.881 1.00 1.00 N ATOM 443 CA ALA A 31 -12.760 -12.464 -2.565 1.00 1.00 C ATOM 444 C ALA A 31 -12.638 -12.268 -4.072 1.00 1.00 C ATOM 445 O ALA A 31 -13.573 -11.804 -4.725 1.00 1.00 O ATOM 446 CB ALA A 31 -14.023 -13.271 -2.255 1.00 1.00 C ATOM 0 H ALA A 31 -13.390 -10.475 -2.340 1.00 1.00 H new ATOM 0 HA ALA A 31 -11.884 -13.007 -2.210 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -13.977 -14.231 -2.770 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -14.093 -13.439 -1.180 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -14.900 -12.719 -2.594 1.00 1.00 H new ATOM 452 N ASN A 32 -11.480 -12.623 -4.619 1.00 1.00 N ATOM 453 CA ASN A 32 -11.247 -12.481 -6.052 1.00 1.00 C ATOM 454 C ASN A 32 -10.138 -13.423 -6.510 1.00 1.00 C ATOM 455 O ASN A 32 -9.109 -13.556 -5.847 1.00 1.00 O ATOM 456 CB ASN A 32 -10.861 -11.037 -6.378 1.00 1.00 C ATOM 457 CG ASN A 32 -9.720 -10.586 -5.472 1.00 1.00 C ATOM 458 OD1 ASN A 32 -9.484 -11.185 -4.423 1.00 1.00 O ATOM 459 ND2 ASN A 32 -8.994 -9.557 -5.817 1.00 1.00 N ATOM 0 H ASN A 32 -10.693 -13.008 -4.096 1.00 1.00 H new ATOM 0 HA ASN A 32 -12.166 -12.738 -6.578 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -10.560 -10.959 -7.423 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -11.722 -10.383 -6.245 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -8.229 -9.248 -5.217 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -9.191 -9.062 -6.687 1.00 1.00 H new ATOM 466 N ASN A 33 -10.355 -14.077 -7.646 1.00 1.00 N ATOM 467 CA ASN A 33 -9.367 -15.005 -8.184 1.00 1.00 C ATOM 468 C ASN A 33 -8.138 -14.253 -8.679 1.00 1.00 C ATOM 469 O ASN A 33 -8.232 -13.101 -9.105 1.00 1.00 O ATOM 470 CB ASN A 33 -9.976 -15.807 -9.335 1.00 1.00 C ATOM 471 CG ASN A 33 -9.075 -16.988 -9.680 1.00 1.00 C ATOM 472 OD1 ASN A 33 -8.010 -16.805 -10.270 1.00 1.00 O ATOM 473 ND2 ASN A 33 -9.440 -18.195 -9.346 1.00 1.00 N ATOM 0 H ASN A 33 -11.200 -13.983 -8.209 1.00 1.00 H new ATOM 0 HA ASN A 33 -9.065 -15.685 -7.388 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -10.967 -16.164 -9.056 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -10.102 -15.167 -10.209 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -8.843 -18.990 -9.574 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -10.323 -18.344 -8.857 1.00 1.00 H new ATOM 480 N GLY A 34 -6.985 -14.910 -8.622 1.00 1.00 N ATOM 481 CA GLY A 34 -5.740 -14.292 -9.069 1.00 1.00 C ATOM 482 C GLY A 34 -4.697 -15.353 -9.402 1.00 1.00 C ATOM 483 O GLY A 34 -4.509 -15.709 -10.565 1.00 1.00 O ATOM 0 H GLY A 34 -6.885 -15.863 -8.274 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -5.930 -13.675 -9.947 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.357 -13.631 -8.291 1.00 1.00 H new ATOM 487 N GLY A 35 -4.022 -15.856 -8.373 1.00 1.00 N ATOM 488 CA GLY A 35 -3.000 -16.877 -8.567 1.00 1.00 C ATOM 489 C GLY A 35 -3.612 -18.272 -8.533 1.00 1.00 C ATOM 490 O GLY A 35 -4.073 -18.785 -9.553 1.00 1.00 O ATOM 0 H GLY A 35 -4.163 -15.575 -7.403 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -2.499 -16.719 -9.522 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -2.241 -16.790 -7.790 1.00 1.00 H new ATOM 494 N GLY A 36 -3.615 -18.883 -7.353 1.00 1.00 N ATOM 495 CA GLY A 36 -4.176 -20.220 -7.196 1.00 1.00 C ATOM 496 C GLY A 36 -3.072 -21.269 -7.116 1.00 1.00 C ATOM 497 O GLY A 36 -2.252 -21.254 -6.197 1.00 1.00 O ATOM 0 H GLY A 36 -3.238 -18.477 -6.497 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -4.786 -20.259 -6.293 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -4.835 -20.443 -8.035 1.00 1.00 H new ATOM 501 N GLU A 37 -3.059 -22.180 -8.083 1.00 1.00 N ATOM 502 CA GLU A 37 -2.051 -23.235 -8.112 1.00 1.00 C ATOM 503 C GLU A 37 -0.677 -22.659 -8.430 1.00 1.00 C ATOM 504 O GLU A 37 -0.556 -21.516 -8.871 1.00 1.00 O ATOM 505 CB GLU A 37 -2.424 -24.282 -9.165 1.00 1.00 C ATOM 506 CG GLU A 37 -2.952 -23.581 -10.419 1.00 1.00 C ATOM 507 CD GLU A 37 -2.842 -24.512 -11.620 1.00 1.00 C ATOM 508 OE1 GLU A 37 -3.549 -25.505 -11.643 1.00 1.00 O ATOM 509 OE2 GLU A 37 -2.051 -24.217 -12.502 1.00 1.00 O ATOM 0 H GLU A 37 -3.729 -22.210 -8.852 1.00 1.00 H new ATOM 0 HA GLU A 37 -2.015 -23.703 -7.128 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -1.553 -24.889 -9.414 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -3.181 -24.959 -8.768 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -3.991 -23.286 -10.271 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -2.384 -22.669 -10.602 1.00 1.00 H new ATOM 516 N ASN A 38 0.360 -23.462 -8.204 1.00 1.00 N ATOM 517 CA ASN A 38 1.728 -23.028 -8.469 1.00 1.00 C ATOM 518 C ASN A 38 2.156 -21.960 -7.466 1.00 1.00 C ATOM 519 O ASN A 38 1.533 -21.794 -6.419 1.00 1.00 O ATOM 520 CB ASN A 38 1.844 -22.476 -9.892 1.00 1.00 C ATOM 521 CG ASN A 38 3.071 -23.066 -10.577 1.00 1.00 C ATOM 522 OD1 ASN A 38 3.902 -22.330 -11.108 1.00 1.00 O ATOM 523 ND2 ASN A 38 3.236 -24.360 -10.594 1.00 1.00 N ATOM 0 H ASN A 38 0.279 -24.411 -7.840 1.00 1.00 H new ATOM 0 HA ASN A 38 2.386 -23.891 -8.366 1.00 1.00 H new ATOM 0 HB2 ASN A 38 0.947 -22.720 -10.461 1.00 1.00 H new ATOM 0 HB3 ASN A 38 1.919 -21.389 -9.865 1.00 1.00 H new ATOM 0 HD21 ASN A 38 4.055 -24.764 -11.048 1.00 1.00 H new ATOM 0 HD22 ASN A 38 2.546 -24.968 -10.153 1.00 1.00 H new ATOM 530 N SER A 39 3.224 -21.241 -7.797 1.00 1.00 N ATOM 531 CA SER A 39 3.730 -20.193 -6.917 1.00 1.00 C ATOM 532 C SER A 39 3.036 -18.866 -7.207 1.00 1.00 C ATOM 533 O SER A 39 1.820 -18.818 -7.390 1.00 1.00 O ATOM 534 CB SER A 39 5.239 -20.035 -7.109 1.00 1.00 C ATOM 535 OG SER A 39 5.763 -19.229 -6.061 1.00 1.00 O ATOM 0 H SER A 39 3.752 -21.363 -8.661 1.00 1.00 H new ATOM 0 HA SER A 39 3.522 -20.479 -5.886 1.00 1.00 H new ATOM 0 HB2 SER A 39 5.722 -21.012 -7.108 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.448 -19.577 -8.076 1.00 1.00 H new ATOM 0 HG SER A 39 6.730 -19.127 -6.179 1.00 1.00 H new ATOM 541 N ALA A 40 3.819 -17.791 -7.242 1.00 1.00 N ATOM 542 CA ALA A 40 3.274 -16.465 -7.507 1.00 1.00 C ATOM 543 C ALA A 40 4.338 -15.398 -7.265 1.00 1.00 C ATOM 544 O ALA A 40 4.260 -14.636 -6.300 1.00 1.00 O ATOM 545 CB ALA A 40 2.070 -16.205 -6.599 1.00 1.00 C ATOM 0 H ALA A 40 4.828 -17.813 -7.091 1.00 1.00 H new ATOM 0 HA ALA A 40 2.957 -16.420 -8.549 1.00 1.00 H new ATOM 0 HB1 ALA A 40 1.668 -15.212 -6.803 1.00 1.00 H new ATOM 0 HB2 ALA A 40 1.301 -16.954 -6.790 1.00 1.00 H new ATOM 0 HB3 ALA A 40 2.382 -16.263 -5.556 1.00 1.00 H new ATOM 551 N PRO A 41 5.328 -15.335 -8.117 1.00 1.00 N ATOM 552 CA PRO A 41 6.433 -14.345 -7.994 1.00 1.00 C ATOM 553 C PRO A 41 6.035 -12.968 -8.518 1.00 1.00 C ATOM 554 O PRO A 41 5.490 -12.152 -7.775 1.00 1.00 O ATOM 555 CB PRO A 41 7.547 -14.961 -8.840 1.00 1.00 C ATOM 556 CG PRO A 41 6.850 -15.774 -9.881 1.00 1.00 C ATOM 557 CD PRO A 41 5.502 -16.202 -9.292 1.00 1.00 C ATOM 0 HA PRO A 41 6.723 -14.170 -6.958 1.00 1.00 H new ATOM 0 HB2 PRO A 41 8.168 -14.189 -9.295 1.00 1.00 H new ATOM 0 HB3 PRO A 41 8.205 -15.582 -8.232 1.00 1.00 H new ATOM 0 HG2 PRO A 41 6.705 -15.192 -10.791 1.00 1.00 H new ATOM 0 HG3 PRO A 41 7.446 -16.646 -10.152 1.00 1.00 H new ATOM 0 HD2 PRO A 41 4.693 -16.066 -10.010 1.00 1.00 H new ATOM 0 HD3 PRO A 41 5.507 -17.255 -9.012 1.00 1.00 H new ATOM 565 N VAL A 42 6.308 -12.724 -9.801 1.00 1.00 N ATOM 566 CA VAL A 42 5.978 -11.446 -10.432 1.00 1.00 C ATOM 567 C VAL A 42 6.163 -10.282 -9.457 1.00 1.00 C ATOM 568 O VAL A 42 6.882 -10.399 -8.465 1.00 1.00 O ATOM 569 CB VAL A 42 4.539 -11.476 -10.967 1.00 1.00 C ATOM 570 CG1 VAL A 42 4.420 -12.568 -12.032 1.00 1.00 C ATOM 571 CG2 VAL A 42 3.554 -11.775 -9.832 1.00 1.00 C ATOM 0 H VAL A 42 6.757 -13.396 -10.423 1.00 1.00 H new ATOM 0 HA VAL A 42 6.662 -11.293 -11.267 1.00 1.00 H new ATOM 0 HB VAL A 42 4.302 -10.503 -11.397 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.400 -12.593 -12.415 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.109 -12.356 -12.849 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.666 -13.534 -11.592 1.00 1.00 H new ATOM 0 HG21 VAL A 42 2.538 -11.793 -10.227 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.789 -12.744 -9.392 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.633 -11.001 -9.069 1.00 1.00 H new ATOM 581 N GLY A 43 5.519 -9.156 -9.750 1.00 1.00 N ATOM 582 CA GLY A 43 5.627 -7.979 -8.894 1.00 1.00 C ATOM 583 C GLY A 43 5.417 -8.347 -7.428 1.00 1.00 C ATOM 584 O GLY A 43 6.055 -7.788 -6.541 1.00 1.00 O ATOM 0 H GLY A 43 4.921 -9.034 -10.567 1.00 1.00 H new ATOM 0 HA2 GLY A 43 6.608 -7.522 -9.021 1.00 1.00 H new ATOM 0 HA3 GLY A 43 4.888 -7.237 -9.196 1.00 1.00 H new ATOM 588 N ALA A 44 4.518 -9.291 -7.182 1.00 1.00 N ATOM 589 CA ALA A 44 4.233 -9.724 -5.819 1.00 1.00 C ATOM 590 C ALA A 44 5.527 -10.046 -5.078 1.00 1.00 C ATOM 591 O ALA A 44 5.579 -9.996 -3.848 1.00 1.00 O ATOM 592 CB ALA A 44 3.335 -10.962 -5.844 1.00 1.00 C ATOM 0 H ALA A 44 3.977 -9.769 -7.902 1.00 1.00 H new ATOM 0 HA ALA A 44 3.722 -8.914 -5.298 1.00 1.00 H new ATOM 0 HB1 ALA A 44 3.126 -11.280 -4.823 1.00 1.00 H new ATOM 0 HB2 ALA A 44 2.399 -10.722 -6.348 1.00 1.00 H new ATOM 0 HB3 ALA A 44 3.840 -11.767 -6.379 1.00 1.00 H new ATOM 598 N ALA A 45 6.564 -10.389 -5.833 1.00 1.00 N ATOM 599 CA ALA A 45 7.853 -10.734 -5.240 1.00 1.00 C ATOM 600 C ALA A 45 8.502 -9.525 -4.566 1.00 1.00 C ATOM 601 O ALA A 45 9.243 -9.676 -3.595 1.00 1.00 O ATOM 602 CB ALA A 45 8.792 -11.275 -6.320 1.00 1.00 C ATOM 0 H ALA A 45 6.540 -10.436 -6.852 1.00 1.00 H new ATOM 0 HA ALA A 45 7.677 -11.496 -4.481 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.752 -11.531 -5.872 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.353 -12.165 -6.771 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.940 -10.515 -7.087 1.00 1.00 H new ATOM 608 N ILE A 46 8.235 -8.328 -5.084 1.00 1.00 N ATOM 609 CA ILE A 46 8.822 -7.121 -4.510 1.00 1.00 C ATOM 610 C ILE A 46 8.039 -6.656 -3.283 1.00 1.00 C ATOM 611 O ILE A 46 8.576 -5.956 -2.425 1.00 1.00 O ATOM 612 CB ILE A 46 8.861 -6.000 -5.554 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.553 -5.204 -5.514 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.052 -6.603 -6.945 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.385 -4.434 -6.825 1.00 1.00 C ATOM 0 H ILE A 46 7.626 -8.169 -5.887 1.00 1.00 H new ATOM 0 HA ILE A 46 9.839 -7.360 -4.199 1.00 1.00 H new ATOM 0 HB ILE A 46 9.692 -5.332 -5.330 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.709 -5.878 -5.365 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.561 -4.512 -4.672 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.080 -5.805 -7.687 1.00 1.00 H new ATOM 0 HG22 ILE A 46 9.989 -7.159 -6.975 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.224 -7.276 -7.167 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.454 -3.867 -6.797 1.00 1.00 H new ATOM 0 HD12 ILE A 46 8.223 -3.749 -6.955 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.358 -5.136 -7.658 1.00 1.00 H new ATOM 627 N ALA A 47 6.773 -7.046 -3.207 1.00 1.00 N ATOM 628 CA ALA A 47 5.930 -6.658 -2.080 1.00 1.00 C ATOM 629 C ALA A 47 6.446 -7.270 -0.781 1.00 1.00 C ATOM 630 O ALA A 47 6.237 -6.720 0.300 1.00 1.00 O ATOM 631 CB ALA A 47 4.491 -7.116 -2.323 1.00 1.00 C ATOM 0 H ALA A 47 6.309 -7.626 -3.906 1.00 1.00 H new ATOM 0 HA ALA A 47 5.958 -5.572 -1.991 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.868 -6.823 -1.478 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.110 -6.652 -3.233 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.468 -8.200 -2.432 1.00 1.00 H new ATOM 637 N ASN A 48 7.121 -8.409 -0.893 1.00 1.00 N ATOM 638 CA ASN A 48 7.663 -9.084 0.281 1.00 1.00 C ATOM 639 C ASN A 48 9.009 -8.483 0.661 1.00 1.00 C ATOM 640 O ASN A 48 9.472 -8.630 1.793 1.00 1.00 O ATOM 641 CB ASN A 48 7.828 -10.577 -0.003 1.00 1.00 C ATOM 642 CG ASN A 48 6.521 -11.310 0.287 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.483 -10.676 0.470 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.513 -12.614 0.340 1.00 1.00 N ATOM 0 H ASN A 48 7.305 -8.882 -1.778 1.00 1.00 H new ATOM 0 HA ASN A 48 6.968 -8.951 1.110 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.116 -10.728 -1.043 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.629 -10.987 0.613 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.644 -13.111 0.534 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.376 -13.136 0.188 1.00 1.00 H new ATOM 651 N PHE A 49 9.633 -7.809 -0.296 1.00 1.00 N ATOM 652 CA PHE A 49 10.930 -7.188 -0.066 1.00 1.00 C ATOM 653 C PHE A 49 10.794 -5.980 0.857 1.00 1.00 C ATOM 654 O PHE A 49 11.762 -5.260 1.099 1.00 1.00 O ATOM 655 CB PHE A 49 11.533 -6.755 -1.400 1.00 1.00 C ATOM 656 CG PHE A 49 12.658 -7.691 -1.772 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.376 -8.885 -2.445 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.979 -7.367 -1.443 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.417 -9.756 -2.789 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.020 -8.238 -1.787 1.00 1.00 C ATOM 661 CZ PHE A 49 14.739 -9.433 -2.460 1.00 1.00 C ATOM 0 H PHE A 49 9.263 -7.679 -1.237 1.00 1.00 H new ATOM 0 HA PHE A 49 11.586 -7.915 0.413 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.768 -6.762 -2.176 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.905 -5.733 -1.328 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.356 -9.135 -2.699 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.196 -6.445 -0.924 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.200 -10.678 -3.308 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.040 -7.988 -1.533 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.542 -10.105 -2.725 1.00 1.00 H new ATOM 671 N LEU A 50 9.585 -5.772 1.373 1.00 1.00 N ATOM 672 CA LEU A 50 9.322 -4.656 2.276 1.00 1.00 C ATOM 673 C LEU A 50 8.671 -5.169 3.559 1.00 1.00 C ATOM 674 O LEU A 50 7.517 -5.600 3.552 1.00 1.00 O ATOM 675 CB LEU A 50 8.393 -3.636 1.600 1.00 1.00 C ATOM 676 CG LEU A 50 9.171 -2.785 0.583 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.492 -2.876 -0.785 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.182 -1.319 1.037 1.00 1.00 C ATOM 0 H LEU A 50 8.774 -6.360 1.181 1.00 1.00 H new ATOM 0 HA LEU A 50 10.267 -4.171 2.519 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.577 -4.156 1.098 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.943 -2.990 2.354 1.00 1.00 H new ATOM 0 HG LEU A 50 10.194 -3.156 0.514 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.044 -2.273 -1.506 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.478 -3.914 -1.116 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.470 -2.506 -0.709 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.734 -0.718 0.314 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.158 -0.952 1.107 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.662 -1.244 2.013 1.00 1.00 H new ATOM 690 N GLU A 51 9.421 -5.126 4.657 1.00 1.00 N ATOM 691 CA GLU A 51 8.913 -5.596 5.944 1.00 1.00 C ATOM 692 C GLU A 51 7.522 -5.015 6.216 1.00 1.00 C ATOM 693 O GLU A 51 7.185 -3.944 5.710 1.00 1.00 O ATOM 694 CB GLU A 51 9.879 -5.176 7.057 1.00 1.00 C ATOM 695 CG GLU A 51 10.984 -6.226 7.207 1.00 1.00 C ATOM 696 CD GLU A 51 10.565 -7.289 8.216 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.132 -6.917 9.293 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.693 -8.461 7.900 1.00 1.00 O ATOM 0 H GLU A 51 10.378 -4.773 4.683 1.00 1.00 H new ATOM 0 HA GLU A 51 8.835 -6.683 5.918 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.316 -4.205 6.825 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.339 -5.066 7.997 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.188 -6.690 6.242 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.908 -5.748 7.533 1.00 1.00 H new ATOM 705 N PRO A 52 6.709 -5.693 6.997 1.00 1.00 N ATOM 706 CA PRO A 52 5.329 -5.216 7.324 1.00 1.00 C ATOM 707 C PRO A 52 5.337 -3.880 8.064 1.00 1.00 C ATOM 708 O PRO A 52 4.711 -2.915 7.626 1.00 1.00 O ATOM 709 CB PRO A 52 4.743 -6.324 8.205 1.00 1.00 C ATOM 710 CG PRO A 52 5.909 -7.110 8.703 1.00 1.00 C ATOM 711 CD PRO A 52 7.005 -6.978 7.650 1.00 1.00 C ATOM 0 HA PRO A 52 4.744 -5.037 6.422 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.173 -5.904 9.033 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.061 -6.955 7.636 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.249 -6.730 9.666 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.637 -8.155 8.851 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.997 -6.978 8.102 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.979 -7.804 6.939 1.00 1.00 H new ATOM 719 N GLN A 53 6.050 -3.827 9.184 1.00 1.00 N ATOM 720 CA GLN A 53 6.126 -2.599 9.965 1.00 1.00 C ATOM 721 C GLN A 53 6.739 -1.487 9.122 1.00 1.00 C ATOM 722 O GLN A 53 6.288 -0.344 9.156 1.00 1.00 O ATOM 723 CB GLN A 53 6.972 -2.826 11.220 1.00 1.00 C ATOM 724 CG GLN A 53 6.224 -3.764 12.170 1.00 1.00 C ATOM 725 CD GLN A 53 7.092 -4.084 13.382 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.870 -5.039 13.358 1.00 1.00 O ATOM 727 NE2 GLN A 53 6.997 -3.346 14.455 1.00 1.00 N ATOM 0 H GLN A 53 6.578 -4.611 9.568 1.00 1.00 H new ATOM 0 HA GLN A 53 5.119 -2.308 10.265 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.936 -3.256 10.950 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.174 -1.875 11.713 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.292 -3.300 12.493 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.958 -4.684 11.650 1.00 1.00 H new ATOM 0 HE21 GLN A 53 6.353 -2.555 14.475 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.567 -3.560 15.273 1.00 1.00 H new ATOM 736 N ALA A 54 7.763 -1.843 8.356 1.00 1.00 N ATOM 737 CA ALA A 54 8.428 -0.879 7.488 1.00 1.00 C ATOM 738 C ALA A 54 7.467 -0.392 6.416 1.00 1.00 C ATOM 739 O ALA A 54 7.575 0.733 5.932 1.00 1.00 O ATOM 740 CB ALA A 54 9.639 -1.526 6.820 1.00 1.00 C ATOM 0 H ALA A 54 8.149 -2.786 8.318 1.00 1.00 H new ATOM 0 HA ALA A 54 8.755 -0.033 8.093 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.130 -0.799 6.173 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.339 -1.863 7.584 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.314 -2.379 6.225 1.00 1.00 H new ATOM 746 N LEU A 55 6.528 -1.253 6.050 1.00 1.00 N ATOM 747 CA LEU A 55 5.547 -0.903 5.028 1.00 1.00 C ATOM 748 C LEU A 55 4.729 0.302 5.478 1.00 1.00 C ATOM 749 O LEU A 55 4.336 1.140 4.666 1.00 1.00 O ATOM 750 CB LEU A 55 4.621 -2.090 4.755 1.00 1.00 C ATOM 751 CG LEU A 55 4.597 -2.381 3.251 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.678 -3.572 2.970 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.080 -1.151 2.499 1.00 1.00 C ATOM 0 H LEU A 55 6.423 -2.190 6.440 1.00 1.00 H new ATOM 0 HA LEU A 55 6.075 -0.650 4.109 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.966 -2.968 5.301 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.614 -1.869 5.110 1.00 1.00 H new ATOM 0 HG LEU A 55 5.607 -2.616 2.915 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.664 -3.776 1.899 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.047 -4.449 3.501 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.668 -3.340 3.309 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.063 -1.359 1.429 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.072 -0.914 2.838 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.737 -0.303 2.694 1.00 1.00 H new ATOM 765 N GLU A 56 4.484 0.385 6.781 1.00 1.00 N ATOM 766 CA GLU A 56 3.720 1.493 7.337 1.00 1.00 C ATOM 767 C GLU A 56 4.532 2.783 7.281 1.00 1.00 C ATOM 768 O GLU A 56 3.982 3.866 7.077 1.00 1.00 O ATOM 769 CB GLU A 56 3.341 1.189 8.788 1.00 1.00 C ATOM 770 CG GLU A 56 1.855 0.829 8.863 1.00 1.00 C ATOM 771 CD GLU A 56 1.555 -0.342 7.935 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.121 -1.401 8.147 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.763 -0.163 7.024 1.00 1.00 O ATOM 0 H GLU A 56 4.802 -0.299 7.468 1.00 1.00 H new ATOM 0 HA GLU A 56 2.814 1.620 6.744 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.945 0.365 9.168 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.549 2.054 9.418 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.586 0.570 9.887 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.249 1.691 8.583 1.00 1.00 H new ATOM 780 N ARG A 57 5.842 2.662 7.476 1.00 1.00 N ATOM 781 CA ARG A 57 6.719 3.822 7.458 1.00 1.00 C ATOM 782 C ARG A 57 6.629 4.556 6.124 1.00 1.00 C ATOM 783 O ARG A 57 6.341 5.753 6.086 1.00 1.00 O ATOM 784 CB ARG A 57 8.164 3.368 7.702 1.00 1.00 C ATOM 785 CG ARG A 57 9.115 4.571 7.688 1.00 1.00 C ATOM 786 CD ARG A 57 8.682 5.592 8.741 1.00 1.00 C ATOM 787 NE ARG A 57 8.118 4.921 9.908 1.00 1.00 N ATOM 788 CZ ARG A 57 7.347 5.571 10.773 1.00 1.00 C ATOM 789 NH1 ARG A 57 7.082 6.835 10.587 1.00 1.00 N ATOM 790 NH2 ARG A 57 6.858 4.946 11.807 1.00 1.00 N ATOM 0 H ARG A 57 6.315 1.775 7.647 1.00 1.00 H new ATOM 0 HA ARG A 57 6.406 4.508 8.245 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.233 2.854 8.661 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.461 2.653 6.935 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.135 4.241 7.887 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.116 5.033 6.701 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.537 6.197 9.041 1.00 1.00 H new ATOM 0 HD3 ARG A 57 7.944 6.272 8.314 1.00 1.00 H new ATOM 0 HE ARG A 57 8.320 3.933 10.063 1.00 1.00 H new ATOM 0 HH11 ARG A 57 7.467 7.323 9.778 1.00 1.00 H new ATOM 0 HH12 ARG A 57 6.490 7.335 11.250 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.067 3.958 11.952 1.00 1.00 H new ATOM 0 HH22 ARG A 57 6.266 5.445 12.471 1.00 1.00 H new ATOM 804 N LEU A 58 6.876 3.841 5.029 1.00 1.00 N ATOM 805 CA LEU A 58 6.818 4.460 3.709 1.00 1.00 C ATOM 806 C LEU A 58 5.425 5.038 3.466 1.00 1.00 C ATOM 807 O LEU A 58 5.271 6.074 2.822 1.00 1.00 O ATOM 808 CB LEU A 58 7.155 3.432 2.624 1.00 1.00 C ATOM 809 CG LEU A 58 7.227 4.115 1.249 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.356 5.149 1.229 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.497 3.061 0.172 1.00 1.00 C ATOM 0 H LEU A 58 7.114 2.849 5.028 1.00 1.00 H new ATOM 0 HA LEU A 58 7.551 5.266 3.667 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.107 2.953 2.850 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.399 2.647 2.609 1.00 1.00 H new ATOM 0 HG LEU A 58 6.279 4.616 1.054 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.396 5.625 0.249 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.171 5.905 1.993 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.306 4.654 1.431 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.548 3.543 -0.804 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.443 2.562 0.381 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.692 2.326 0.172 1.00 1.00 H new ATOM 823 N SER A 59 4.413 4.363 3.991 1.00 1.00 N ATOM 824 CA SER A 59 3.043 4.831 3.837 1.00 1.00 C ATOM 825 C SER A 59 2.840 6.140 4.599 1.00 1.00 C ATOM 826 O SER A 59 2.155 7.048 4.127 1.00 1.00 O ATOM 827 CB SER A 59 2.067 3.778 4.360 1.00 1.00 C ATOM 828 OG SER A 59 1.594 4.171 5.642 1.00 1.00 O ATOM 0 H SER A 59 4.512 3.498 4.522 1.00 1.00 H new ATOM 0 HA SER A 59 2.853 5.003 2.778 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.231 3.666 3.670 1.00 1.00 H new ATOM 0 HB3 SER A 59 2.560 2.808 4.423 1.00 1.00 H new ATOM 0 HG SER A 59 2.304 4.044 6.306 1.00 1.00 H new ATOM 834 N ARG A 60 3.421 6.210 5.796 1.00 1.00 N ATOM 835 CA ARG A 60 3.285 7.391 6.649 1.00 1.00 C ATOM 836 C ARG A 60 3.975 8.620 6.058 1.00 1.00 C ATOM 837 O ARG A 60 3.397 9.708 6.040 1.00 1.00 O ATOM 838 CB ARG A 60 3.880 7.097 8.026 1.00 1.00 C ATOM 839 CG ARG A 60 3.612 8.276 8.966 1.00 1.00 C ATOM 840 CD ARG A 60 3.882 7.848 10.408 1.00 1.00 C ATOM 841 NE ARG A 60 2.666 7.318 11.013 1.00 1.00 N ATOM 842 CZ ARG A 60 1.780 8.117 11.597 1.00 1.00 C ATOM 843 NH1 ARG A 60 1.991 9.405 11.639 1.00 1.00 N ATOM 844 NH2 ARG A 60 0.700 7.616 12.132 1.00 1.00 N ATOM 0 H ARG A 60 3.990 5.464 6.197 1.00 1.00 H new ATOM 0 HA ARG A 60 2.221 7.614 6.727 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.442 6.186 8.435 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.953 6.924 7.940 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.249 9.119 8.700 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.580 8.611 8.862 1.00 1.00 H new ATOM 0 HD2 ARG A 60 4.667 7.092 10.430 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.243 8.699 10.986 1.00 1.00 H new ATOM 0 HE ARG A 60 2.492 6.313 10.987 1.00 1.00 H new ATOM 0 HH11 ARG A 60 2.836 9.797 11.223 1.00 1.00 H new ATOM 0 HH12 ARG A 60 1.311 10.019 12.087 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.536 6.610 12.102 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.020 8.231 12.580 1.00 1.00 H new ATOM 858 N VAL A 61 5.206 8.459 5.581 1.00 1.00 N ATOM 859 CA VAL A 61 5.931 9.591 5.009 1.00 1.00 C ATOM 860 C VAL A 61 5.294 10.016 3.690 1.00 1.00 C ATOM 861 O VAL A 61 5.132 11.205 3.422 1.00 1.00 O ATOM 862 CB VAL A 61 7.404 9.229 4.780 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.496 8.147 3.715 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.181 10.467 4.309 1.00 1.00 C ATOM 0 H VAL A 61 5.715 7.575 5.578 1.00 1.00 H new ATOM 0 HA VAL A 61 5.879 10.420 5.714 1.00 1.00 H new ATOM 0 HB VAL A 61 7.833 8.868 5.715 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.542 7.887 3.550 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.951 7.263 4.046 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.062 8.514 2.785 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.226 10.202 4.149 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.752 10.832 3.376 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.117 11.247 5.068 1.00 1.00 H new ATOM 874 N ALA A 62 4.939 9.033 2.871 1.00 1.00 N ATOM 875 CA ALA A 62 4.322 9.311 1.579 1.00 1.00 C ATOM 876 C ALA A 62 3.163 10.291 1.733 1.00 1.00 C ATOM 877 O ALA A 62 2.964 11.168 0.893 1.00 1.00 O ATOM 878 CB ALA A 62 3.815 8.013 0.952 1.00 1.00 C ATOM 0 H ALA A 62 5.067 8.042 3.076 1.00 1.00 H new ATOM 0 HA ALA A 62 5.075 9.759 0.930 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.356 8.230 -0.012 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.650 7.327 0.810 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.077 7.555 1.610 1.00 1.00 H new ATOM 884 N LEU A 63 2.403 10.137 2.812 1.00 1.00 N ATOM 885 CA LEU A 63 1.265 11.015 3.063 1.00 1.00 C ATOM 886 C LEU A 63 1.726 12.459 3.232 1.00 1.00 C ATOM 887 O LEU A 63 0.932 13.391 3.104 1.00 1.00 O ATOM 888 CB LEU A 63 0.534 10.575 4.333 1.00 1.00 C ATOM 889 CG LEU A 63 -0.314 9.335 4.038 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.482 8.517 5.319 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.694 9.768 3.531 1.00 1.00 C ATOM 0 H LEU A 63 2.552 9.419 3.521 1.00 1.00 H new ATOM 0 HA LEU A 63 0.593 10.951 2.208 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.254 10.356 5.121 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.101 11.383 4.697 1.00 1.00 H new ATOM 0 HG LEU A 63 0.181 8.730 3.279 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.086 7.634 5.110 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.497 8.209 5.685 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.978 9.124 6.076 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.298 8.885 3.321 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.188 10.373 4.292 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.579 10.354 2.619 1.00 1.00 H new ATOM 903 N VAL A 64 3.009 12.634 3.532 1.00 1.00 N ATOM 904 CA VAL A 64 3.564 13.967 3.735 1.00 1.00 C ATOM 905 C VAL A 64 4.448 14.387 2.563 1.00 1.00 C ATOM 906 O VAL A 64 4.322 15.502 2.055 1.00 1.00 O ATOM 907 CB VAL A 64 4.377 13.995 5.031 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.199 15.350 5.713 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.880 12.891 5.968 1.00 1.00 C ATOM 0 H VAL A 64 3.681 11.874 3.639 1.00 1.00 H new ATOM 0 HA VAL A 64 2.735 14.672 3.803 1.00 1.00 H new ATOM 0 HB VAL A 64 5.431 13.835 4.802 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.778 15.371 6.636 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.547 16.140 5.048 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.145 15.507 5.942 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.458 12.910 6.892 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.827 13.054 6.196 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.000 11.922 5.484 1.00 1.00 H new ATOM 919 N ARG A 65 5.341 13.497 2.135 1.00 1.00 N ATOM 920 CA ARG A 65 6.234 13.807 1.022 1.00 1.00 C ATOM 921 C ARG A 65 6.358 12.619 0.073 1.00 1.00 C ATOM 922 O ARG A 65 7.319 11.851 0.138 1.00 1.00 O ATOM 923 CB ARG A 65 7.613 14.196 1.546 1.00 1.00 C ATOM 924 CG ARG A 65 7.451 15.180 2.709 1.00 1.00 C ATOM 925 CD ARG A 65 8.722 16.015 2.858 1.00 1.00 C ATOM 926 NE ARG A 65 8.583 16.955 3.966 1.00 1.00 N ATOM 927 CZ ARG A 65 9.626 17.649 4.410 1.00 1.00 C ATOM 928 NH1 ARG A 65 10.793 17.507 3.842 1.00 1.00 N ATOM 929 NH2 ARG A 65 9.483 18.472 5.412 1.00 1.00 N ATOM 0 H ARG A 65 5.465 12.567 2.536 1.00 1.00 H new ATOM 0 HA ARG A 65 5.808 14.646 0.471 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.153 13.309 1.877 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.203 14.650 0.750 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.595 15.831 2.530 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.251 14.637 3.633 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.577 15.361 3.032 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.919 16.558 1.934 1.00 1.00 H new ATOM 0 HE ARG A 65 7.672 17.081 4.406 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.904 16.864 3.058 1.00 1.00 H new ATOM 0 HH12 ARG A 65 11.594 18.039 4.182 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.571 18.583 5.855 1.00 1.00 H new ATOM 0 HH22 ARG A 65 10.283 19.005 5.753 1.00 1.00 H new ATOM 943 N ARG A 66 5.380 12.490 -0.811 1.00 1.00 N ATOM 944 CA ARG A 66 5.365 11.411 -1.790 1.00 1.00 C ATOM 945 C ARG A 66 6.593 11.474 -2.694 1.00 1.00 C ATOM 946 O ARG A 66 7.069 10.450 -3.183 1.00 1.00 O ATOM 947 CB ARG A 66 4.099 11.500 -2.640 1.00 1.00 C ATOM 948 CG ARG A 66 4.076 10.348 -3.647 1.00 1.00 C ATOM 949 CD ARG A 66 2.681 10.233 -4.263 1.00 1.00 C ATOM 950 NE ARG A 66 2.778 10.067 -5.709 1.00 1.00 N ATOM 951 CZ ARG A 66 3.072 8.889 -6.247 1.00 1.00 C ATOM 952 NH1 ARG A 66 3.283 7.856 -5.479 1.00 1.00 N ATOM 953 NH2 ARG A 66 3.148 8.764 -7.544 1.00 1.00 N ATOM 0 H ARG A 66 4.582 13.122 -0.871 1.00 1.00 H new ATOM 0 HA ARG A 66 5.381 10.463 -1.252 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.216 11.456 -2.002 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.067 12.455 -3.164 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.817 10.520 -4.428 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.345 9.414 -3.153 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.153 9.385 -3.827 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.099 11.125 -4.031 1.00 1.00 H new ATOM 0 HE ARG A 66 2.617 10.870 -6.317 1.00 1.00 H new ATOM 0 HH11 ARG A 66 3.222 7.953 -4.465 1.00 1.00 H new ATOM 0 HH12 ARG A 66 3.509 6.951 -5.892 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.982 9.571 -8.145 1.00 1.00 H new ATOM 0 HH22 ARG A 66 3.374 7.859 -7.957 1.00 1.00 H new ATOM 967 N ASP A 67 7.090 12.686 -2.931 1.00 1.00 N ATOM 968 CA ASP A 67 8.250 12.866 -3.800 1.00 1.00 C ATOM 969 C ASP A 67 9.436 12.039 -3.315 1.00 1.00 C ATOM 970 O ASP A 67 10.087 11.348 -4.100 1.00 1.00 O ATOM 971 CB ASP A 67 8.641 14.345 -3.843 1.00 1.00 C ATOM 972 CG ASP A 67 10.125 14.483 -4.165 1.00 1.00 C ATOM 973 OD1 ASP A 67 10.484 14.267 -5.310 1.00 1.00 O ATOM 974 OD2 ASP A 67 10.879 14.809 -3.263 1.00 1.00 O ATOM 0 H ASP A 67 6.713 13.549 -2.539 1.00 1.00 H new ATOM 0 HA ASP A 67 7.980 12.526 -4.800 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.047 14.865 -4.595 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.423 14.815 -2.884 1.00 1.00 H new ATOM 979 N ARG A 68 9.710 12.110 -2.020 1.00 1.00 N ATOM 980 CA ARG A 68 10.817 11.363 -1.443 1.00 1.00 C ATOM 981 C ARG A 68 10.491 9.875 -1.403 1.00 1.00 C ATOM 982 O ARG A 68 11.357 9.031 -1.630 1.00 1.00 O ATOM 983 CB ARG A 68 11.093 11.872 -0.030 1.00 1.00 C ATOM 984 CG ARG A 68 11.083 13.402 -0.031 1.00 1.00 C ATOM 985 CD ARG A 68 11.430 13.914 1.365 1.00 1.00 C ATOM 986 NE ARG A 68 11.479 15.374 1.372 1.00 1.00 N ATOM 987 CZ ARG A 68 12.449 16.033 0.749 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.381 15.378 0.115 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.469 17.337 0.773 1.00 1.00 N ATOM 0 H ARG A 68 9.184 12.674 -1.353 1.00 1.00 H new ATOM 0 HA ARG A 68 11.703 11.508 -2.062 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.338 11.493 0.659 1.00 1.00 H new ATOM 0 HB3 ARG A 68 12.058 11.504 0.319 1.00 1.00 H new ATOM 0 HG2 ARG A 68 11.802 13.781 -0.758 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.102 13.770 -0.331 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.688 13.565 2.083 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.392 13.510 1.679 1.00 1.00 H new ATOM 0 HE ARG A 68 10.755 15.897 1.865 1.00 1.00 H new ATOM 0 HH11 ARG A 68 13.366 14.358 0.097 1.00 1.00 H new ATOM 0 HH12 ARG A 68 14.126 15.885 -0.363 1.00 1.00 H new ATOM 0 HH21 ARG A 68 11.740 17.849 1.270 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.213 17.845 0.295 1.00 1.00 H new ATOM 1003 N ALA A 69 9.229 9.566 -1.123 1.00 1.00 N ATOM 1004 CA ALA A 69 8.784 8.179 -1.064 1.00 1.00 C ATOM 1005 C ALA A 69 8.854 7.531 -2.441 1.00 1.00 C ATOM 1006 O ALA A 69 9.048 6.321 -2.562 1.00 1.00 O ATOM 1007 CB ALA A 69 7.343 8.117 -0.561 1.00 1.00 C ATOM 0 H ALA A 69 8.500 10.254 -0.934 1.00 1.00 H new ATOM 0 HA ALA A 69 9.441 7.640 -0.381 1.00 1.00 H new ATOM 0 HB1 ALA A 69 7.017 7.078 -0.519 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.286 8.555 0.435 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.696 8.673 -1.240 1.00 1.00 H new ATOM 1013 N GLN A 70 8.676 8.344 -3.475 1.00 1.00 N ATOM 1014 CA GLN A 70 8.699 7.840 -4.842 1.00 1.00 C ATOM 1015 C GLN A 70 10.098 7.378 -5.229 1.00 1.00 C ATOM 1016 O GLN A 70 10.260 6.417 -5.979 1.00 1.00 O ATOM 1017 CB GLN A 70 8.233 8.934 -5.808 1.00 1.00 C ATOM 1018 CG GLN A 70 7.650 8.297 -7.074 1.00 1.00 C ATOM 1019 CD GLN A 70 8.047 9.111 -8.300 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.197 9.451 -9.122 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.299 9.435 -8.479 1.00 1.00 N ATOM 0 H GLN A 70 8.515 9.348 -3.394 1.00 1.00 H new ATOM 0 HA GLN A 70 8.024 6.986 -4.902 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.482 9.561 -5.327 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.070 9.582 -6.069 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.011 7.273 -7.175 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.564 8.246 -6.998 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.002 9.152 -7.796 1.00 1.00 H new ATOM 0 HE22 GLN A 70 9.574 9.971 -9.302 1.00 1.00 H new ATOM 1030 N ALA A 71 11.108 8.074 -4.723 1.00 1.00 N ATOM 1031 CA ALA A 71 12.488 7.725 -5.033 1.00 1.00 C ATOM 1032 C ALA A 71 12.922 6.475 -4.268 1.00 1.00 C ATOM 1033 O ALA A 71 13.738 5.694 -4.757 1.00 1.00 O ATOM 1034 CB ALA A 71 13.408 8.892 -4.681 1.00 1.00 C ATOM 0 H ALA A 71 11.000 8.876 -4.102 1.00 1.00 H new ATOM 0 HA ALA A 71 12.557 7.515 -6.100 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.439 8.626 -4.915 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.120 9.770 -5.259 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.323 9.114 -3.617 1.00 1.00 H new ATOM 1040 N VAL A 72 12.373 6.289 -3.069 1.00 1.00 N ATOM 1041 CA VAL A 72 12.720 5.124 -2.257 1.00 1.00 C ATOM 1042 C VAL A 72 12.303 3.843 -2.968 1.00 1.00 C ATOM 1043 O VAL A 72 13.088 2.900 -3.091 1.00 1.00 O ATOM 1044 CB VAL A 72 12.022 5.197 -0.897 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.452 4.005 -0.043 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.414 6.494 -0.183 1.00 1.00 C ATOM 0 H VAL A 72 11.695 6.921 -2.642 1.00 1.00 H new ATOM 0 HA VAL A 72 13.800 5.120 -2.108 1.00 1.00 H new ATOM 0 HB VAL A 72 10.942 5.176 -1.045 1.00 1.00 H new ATOM 0 HG11 VAL A 72 11.956 4.054 0.927 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.175 3.078 -0.546 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.532 4.031 0.100 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.915 6.542 0.785 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.494 6.516 -0.036 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.113 7.348 -0.789 1.00 1.00 H new ATOM 1056 N GLU A 73 11.067 3.824 -3.442 1.00 1.00 N ATOM 1057 CA GLU A 73 10.553 2.658 -4.149 1.00 1.00 C ATOM 1058 C GLU A 73 11.330 2.445 -5.444 1.00 1.00 C ATOM 1059 O GLU A 73 11.544 1.311 -5.871 1.00 1.00 O ATOM 1060 CB GLU A 73 9.065 2.837 -4.459 1.00 1.00 C ATOM 1061 CG GLU A 73 8.841 4.180 -5.157 1.00 1.00 C ATOM 1062 CD GLU A 73 7.367 4.340 -5.512 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.540 4.082 -4.652 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.085 4.714 -6.639 1.00 1.00 O ATOM 0 H GLU A 73 10.405 4.595 -3.352 1.00 1.00 H new ATOM 0 HA GLU A 73 10.677 1.783 -3.511 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.716 2.023 -5.095 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.484 2.794 -3.538 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.158 4.995 -4.507 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.450 4.237 -6.059 1.00 1.00 H new ATOM 1071 N THR A 74 11.752 3.545 -6.065 1.00 1.00 N ATOM 1072 CA THR A 74 12.505 3.463 -7.310 1.00 1.00 C ATOM 1073 C THR A 74 13.883 2.864 -7.058 1.00 1.00 C ATOM 1074 O THR A 74 14.432 2.162 -7.908 1.00 1.00 O ATOM 1075 CB THR A 74 12.657 4.857 -7.923 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.413 5.540 -7.854 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.089 4.729 -9.385 1.00 1.00 C ATOM 0 H THR A 74 11.586 4.494 -5.729 1.00 1.00 H new ATOM 0 HA THR A 74 11.960 2.821 -8.002 1.00 1.00 H new ATOM 0 HB THR A 74 13.412 5.417 -7.371 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.327 5.976 -6.981 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.197 5.722 -9.821 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.043 4.204 -9.438 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.336 4.170 -9.939 1.00 1.00 H new ATOM 1085 N TYR A 75 14.435 3.144 -5.883 1.00 1.00 N ATOM 1086 CA TYR A 75 15.750 2.626 -5.526 1.00 1.00 C ATOM 1087 C TYR A 75 15.729 1.101 -5.498 1.00 1.00 C ATOM 1088 O TYR A 75 16.601 0.447 -6.070 1.00 1.00 O ATOM 1089 CB TYR A 75 16.164 3.162 -4.154 1.00 1.00 C ATOM 1090 CG TYR A 75 17.483 2.555 -3.751 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.517 1.297 -3.137 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.675 3.249 -3.994 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.743 0.734 -2.764 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.901 2.685 -3.622 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.935 1.426 -3.006 1.00 1.00 C ATOM 1096 OH TYR A 75 21.144 0.870 -2.640 1.00 1.00 O ATOM 0 H TYR A 75 13.996 3.722 -5.166 1.00 1.00 H new ATOM 0 HA TYR A 75 16.471 2.955 -6.275 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.247 4.248 -4.187 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.401 2.923 -3.413 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.598 0.761 -2.951 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.648 4.219 -4.468 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.769 -0.236 -2.289 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.821 3.220 -3.809 1.00 1.00 H new ATOM 0 HH TYR A 75 21.871 1.481 -2.881 1.00 1.00 H new ATOM 1106 N LEU A 76 14.728 0.542 -4.826 1.00 1.00 N ATOM 1107 CA LEU A 76 14.601 -0.909 -4.726 1.00 1.00 C ATOM 1108 C LEU A 76 14.293 -1.534 -6.086 1.00 1.00 C ATOM 1109 O LEU A 76 14.812 -2.599 -6.417 1.00 1.00 O ATOM 1110 CB LEU A 76 13.481 -1.273 -3.750 1.00 1.00 C ATOM 1111 CG LEU A 76 13.641 -2.737 -3.313 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.860 -2.892 -2.392 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.385 -3.193 -2.563 1.00 1.00 C ATOM 0 H LEU A 76 13.997 1.067 -4.345 1.00 1.00 H new ATOM 0 HA LEU A 76 15.553 -1.299 -4.366 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.514 -0.617 -2.880 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.510 -1.127 -4.223 1.00 1.00 H new ATOM 0 HG LEU A 76 13.785 -3.350 -4.203 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.959 -3.935 -2.092 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.759 -2.581 -2.923 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.728 -2.270 -1.506 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.502 -4.232 -2.255 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.240 -2.567 -1.682 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.518 -3.105 -3.218 1.00 1.00 H new ATOM 1125 N LYS A 77 13.442 -0.874 -6.866 1.00 1.00 N ATOM 1126 CA LYS A 77 13.074 -1.390 -8.176 1.00 1.00 C ATOM 1127 C LYS A 77 14.317 -1.567 -9.039 1.00 1.00 C ATOM 1128 O LYS A 77 14.469 -2.580 -9.723 1.00 1.00 O ATOM 1129 CB LYS A 77 12.068 -0.431 -8.837 1.00 1.00 C ATOM 1130 CG LYS A 77 12.367 -0.271 -10.330 1.00 1.00 C ATOM 1131 CD LYS A 77 11.198 0.450 -11.010 1.00 1.00 C ATOM 1132 CE LYS A 77 11.061 1.866 -10.447 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.327 2.718 -11.424 1.00 1.00 N ATOM 0 H LYS A 77 12.999 0.010 -6.615 1.00 1.00 H new ATOM 0 HA LYS A 77 12.603 -2.367 -8.067 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.055 -0.811 -8.703 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.111 0.542 -8.347 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.288 0.295 -10.469 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.522 -1.248 -10.788 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.362 0.492 -12.087 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.274 -0.105 -10.850 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.528 1.841 -9.497 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.047 2.287 -10.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.233 3.681 -11.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.853 2.750 -12.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.382 2.318 -11.592 1.00 1.00 H new ATOM 1147 N LYS A 78 15.209 -0.585 -8.998 1.00 1.00 N ATOM 1148 CA LYS A 78 16.438 -0.659 -9.779 1.00 1.00 C ATOM 1149 C LYS A 78 17.290 -1.826 -9.297 1.00 1.00 C ATOM 1150 O LYS A 78 17.915 -2.523 -10.093 1.00 1.00 O ATOM 1151 CB LYS A 78 17.228 0.643 -9.640 1.00 1.00 C ATOM 1152 CG LYS A 78 17.365 1.309 -11.012 1.00 1.00 C ATOM 1153 CD LYS A 78 15.981 1.697 -11.537 1.00 1.00 C ATOM 1154 CE LYS A 78 15.980 3.175 -11.933 1.00 1.00 C ATOM 1155 NZ LYS A 78 16.969 3.398 -13.024 1.00 1.00 N ATOM 0 H LYS A 78 15.107 0.262 -8.440 1.00 1.00 H new ATOM 0 HA LYS A 78 16.179 -0.810 -10.827 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.722 1.315 -8.947 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.214 0.439 -9.223 1.00 1.00 H new ATOM 0 HG2 LYS A 78 17.997 2.194 -10.936 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.852 0.628 -11.710 1.00 1.00 H new ATOM 0 HD2 LYS A 78 15.720 1.079 -12.396 1.00 1.00 H new ATOM 0 HD3 LYS A 78 15.226 1.514 -10.772 1.00 1.00 H new ATOM 0 HE2 LYS A 78 14.985 3.473 -12.263 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.228 3.794 -11.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 16.687 4.228 -13.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.910 3.562 -12.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 17.002 2.560 -13.639 1.00 1.00 H new ATOM 1169 N LEU A 79 17.300 -2.034 -7.985 1.00 1.00 N ATOM 1170 CA LEU A 79 18.070 -3.123 -7.393 1.00 1.00 C ATOM 1171 C LEU A 79 17.467 -4.474 -7.768 1.00 1.00 C ATOM 1172 O LEU A 79 18.180 -5.391 -8.176 1.00 1.00 O ATOM 1173 CB LEU A 79 18.080 -2.976 -5.869 1.00 1.00 C ATOM 1174 CG LEU A 79 19.503 -2.701 -5.382 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.019 -1.403 -6.006 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.502 -2.565 -3.858 1.00 1.00 C ATOM 0 H LEU A 79 16.786 -1.465 -7.313 1.00 1.00 H new ATOM 0 HA LEU A 79 19.089 -3.075 -7.776 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.420 -2.162 -5.569 1.00 1.00 H new ATOM 0 HB3 LEU A 79 17.697 -3.885 -5.405 1.00 1.00 H new ATOM 0 HG LEU A 79 20.151 -3.527 -5.676 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.033 -1.210 -5.657 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.021 -1.497 -7.092 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.371 -0.576 -5.714 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.516 -2.369 -3.510 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.852 -1.740 -3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.137 -3.489 -3.410 1.00 1.00 H new ATOM 1188 N ILE A 80 16.150 -4.592 -7.621 1.00 1.00 N ATOM 1189 CA ILE A 80 15.467 -5.839 -7.944 1.00 1.00 C ATOM 1190 C ILE A 80 15.488 -6.091 -9.447 1.00 1.00 C ATOM 1191 O ILE A 80 15.745 -7.208 -9.896 1.00 1.00 O ATOM 1192 CB ILE A 80 14.018 -5.790 -7.454 1.00 1.00 C ATOM 1193 CG1 ILE A 80 13.990 -5.984 -5.935 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.215 -6.906 -8.126 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.591 -5.664 -5.402 1.00 1.00 C ATOM 0 H ILE A 80 15.541 -3.847 -7.284 1.00 1.00 H new ATOM 0 HA ILE A 80 15.991 -6.653 -7.443 1.00 1.00 H new ATOM 0 HB ILE A 80 13.579 -4.825 -7.707 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.260 -7.010 -5.684 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.728 -5.336 -5.462 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.183 -6.872 -7.778 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.238 -6.770 -9.207 1.00 1.00 H new ATOM 0 HG23 ILE A 80 13.652 -7.872 -7.872 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.573 -5.803 -4.321 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.339 -4.631 -5.640 1.00 1.00 H new ATOM 0 HD13 ILE A 80 11.864 -6.331 -5.865 1.00 1.00 H new ATOM 1207 N ALA A 81 15.215 -5.046 -10.222 1.00 1.00 N ATOM 1208 CA ALA A 81 15.205 -5.169 -11.673 1.00 1.00 C ATOM 1209 C ALA A 81 16.597 -5.510 -12.191 1.00 1.00 C ATOM 1210 O ALA A 81 16.745 -6.281 -13.139 1.00 1.00 O ATOM 1211 CB ALA A 81 14.729 -3.859 -12.304 1.00 1.00 C ATOM 0 H ALA A 81 15.000 -4.112 -9.872 1.00 1.00 H new ATOM 0 HA ALA A 81 14.522 -5.973 -11.947 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.724 -3.959 -13.389 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.721 -3.633 -11.956 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.402 -3.051 -12.017 1.00 1.00 H new ATOM 1217 N THR A 82 17.617 -4.933 -11.563 1.00 1.00 N ATOM 1218 CA THR A 82 18.992 -5.190 -11.973 1.00 1.00 C ATOM 1219 C THR A 82 19.484 -6.514 -11.401 1.00 1.00 C ATOM 1220 O THR A 82 19.472 -7.536 -12.087 1.00 1.00 O ATOM 1221 CB THR A 82 19.907 -4.058 -11.501 1.00 1.00 C ATOM 1222 OG1 THR A 82 19.810 -3.927 -10.089 1.00 1.00 O ATOM 1223 CG2 THR A 82 19.490 -2.747 -12.170 1.00 1.00 C ATOM 0 H THR A 82 17.519 -4.291 -10.776 1.00 1.00 H new ATOM 0 HA THR A 82 19.017 -5.243 -13.061 1.00 1.00 H new ATOM 0 HB THR A 82 20.937 -4.288 -11.773 1.00 1.00 H new ATOM 0 HG1 THR A 82 19.229 -3.169 -9.870 1.00 1.00 H new ATOM 0 HG21 THR A 82 20.143 -1.942 -11.832 1.00 1.00 H new ATOM 0 HG22 THR A 82 19.570 -2.849 -13.252 1.00 1.00 H new ATOM 0 HG23 THR A 82 18.459 -2.514 -11.903 1.00 1.00 H new ATOM 1231 N ASN A 83 19.925 -6.483 -10.146 1.00 1.00 N ATOM 1232 CA ASN A 83 20.435 -7.687 -9.492 1.00 1.00 C ATOM 1233 C ASN A 83 21.122 -7.335 -8.176 1.00 1.00 C ATOM 1234 O ASN A 83 21.221 -8.167 -7.273 1.00 1.00 O ATOM 1235 CB ASN A 83 21.451 -8.387 -10.405 1.00 1.00 C ATOM 1236 CG ASN A 83 22.222 -7.346 -11.213 1.00 1.00 C ATOM 1237 OD1 ASN A 83 22.823 -7.671 -12.238 1.00 1.00 O ATOM 1238 ND2 ASN A 83 22.243 -6.105 -10.809 1.00 1.00 N ATOM 0 H ASN A 83 19.940 -5.645 -9.565 1.00 1.00 H new ATOM 0 HA ASN A 83 19.591 -8.348 -9.294 1.00 1.00 H new ATOM 0 HB2 ASN A 83 22.142 -8.982 -9.807 1.00 1.00 H new ATOM 0 HB3 ASN A 83 20.937 -9.075 -11.077 1.00 1.00 H new ATOM 0 HD21 ASN A 83 22.757 -5.404 -11.342 1.00 1.00 H new ATOM 0 HD22 ASN A 83 21.745 -5.836 -9.960 1.00 1.00 H new ATOM 1245 N ASN A 84 21.610 -6.102 -8.079 1.00 1.00 N ATOM 1246 CA ASN A 84 22.302 -5.655 -6.876 1.00 1.00 C ATOM 1247 C ASN A 84 21.544 -6.078 -5.623 1.00 1.00 C ATOM 1248 O ASN A 84 22.150 -6.376 -4.594 1.00 1.00 O ATOM 1249 CB ASN A 84 22.458 -4.133 -6.898 1.00 1.00 C ATOM 1250 CG ASN A 84 23.774 -3.754 -7.564 1.00 1.00 C ATOM 1251 OD1 ASN A 84 24.313 -2.678 -7.307 1.00 1.00 O ATOM 1252 ND2 ASN A 84 24.328 -4.578 -8.410 1.00 1.00 N ATOM 0 H ASN A 84 21.540 -5.399 -8.814 1.00 1.00 H new ATOM 0 HA ASN A 84 23.288 -6.120 -6.856 1.00 1.00 H new ATOM 0 HB2 ASN A 84 21.625 -3.682 -7.437 1.00 1.00 H new ATOM 0 HB3 ASN A 84 22.430 -3.741 -5.881 1.00 1.00 H new ATOM 0 HD21 ASN A 84 25.210 -4.331 -8.860 1.00 1.00 H new ATOM 0 HD22 ASN A 84 23.880 -5.469 -8.622 1.00 1.00 H new ATOM 1259 N VAL A 85 20.219 -6.099 -5.715 1.00 1.00 N ATOM 1260 CA VAL A 85 19.388 -6.487 -4.578 1.00 1.00 C ATOM 1261 C VAL A 85 20.008 -7.659 -3.831 1.00 1.00 C ATOM 1262 O VAL A 85 20.669 -8.507 -4.427 1.00 1.00 O ATOM 1263 CB VAL A 85 17.993 -6.884 -5.056 1.00 1.00 C ATOM 1264 CG1 VAL A 85 18.000 -8.346 -5.510 1.00 1.00 C ATOM 1265 CG2 VAL A 85 16.993 -6.712 -3.910 1.00 1.00 C ATOM 0 H VAL A 85 19.699 -5.854 -6.558 1.00 1.00 H new ATOM 0 HA VAL A 85 19.318 -5.632 -3.906 1.00 1.00 H new ATOM 0 HB VAL A 85 17.704 -6.247 -5.892 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.003 -8.626 -5.850 1.00 1.00 H new ATOM 0 HG12 VAL A 85 18.711 -8.470 -6.327 1.00 1.00 H new ATOM 0 HG13 VAL A 85 18.291 -8.985 -4.676 1.00 1.00 H new ATOM 0 HG21 VAL A 85 15.997 -6.995 -4.251 1.00 1.00 H new ATOM 0 HG22 VAL A 85 17.285 -7.347 -3.074 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.984 -5.671 -3.588 1.00 1.00 H new ATOM 1275 N THR A 86 19.781 -7.703 -2.523 1.00 1.00 N ATOM 1276 CA THR A 86 20.314 -8.782 -1.707 1.00 1.00 C ATOM 1277 C THR A 86 19.854 -8.640 -0.261 1.00 1.00 C ATOM 1278 O THR A 86 20.419 -9.255 0.644 1.00 1.00 O ATOM 1279 CB THR A 86 21.845 -8.777 -1.759 1.00 1.00 C ATOM 1280 OG1 THR A 86 22.289 -7.681 -2.547 1.00 1.00 O ATOM 1281 CG2 THR A 86 22.343 -10.086 -2.373 1.00 1.00 C ATOM 0 H THR A 86 19.236 -7.010 -2.011 1.00 1.00 H new ATOM 0 HA THR A 86 19.941 -9.726 -2.105 1.00 1.00 H new ATOM 0 HB THR A 86 22.241 -8.681 -0.748 1.00 1.00 H new ATOM 0 HG1 THR A 86 22.167 -7.890 -3.497 1.00 1.00 H new ATOM 0 HG21 THR A 86 23.432 -10.080 -2.409 1.00 1.00 H new ATOM 0 HG22 THR A 86 22.005 -10.925 -1.765 1.00 1.00 H new ATOM 0 HG23 THR A 86 21.947 -10.188 -3.384 1.00 1.00 H new ATOM 1289 N HIS A 87 18.825 -7.824 -0.047 1.00 1.00 N ATOM 1290 CA HIS A 87 18.301 -7.610 1.296 1.00 1.00 C ATOM 1291 C HIS A 87 16.860 -7.118 1.242 1.00 1.00 C ATOM 1292 O HIS A 87 16.437 -6.505 0.261 1.00 1.00 O ATOM 1293 CB HIS A 87 19.163 -6.584 2.034 1.00 1.00 C ATOM 1294 CG HIS A 87 18.965 -5.227 1.417 1.00 1.00 C ATOM 1295 ND1 HIS A 87 19.859 -4.694 0.501 1.00 1.00 N ATOM 1296 CD2 HIS A 87 17.979 -4.285 1.569 1.00 1.00 C ATOM 1297 CE1 HIS A 87 19.397 -3.481 0.143 1.00 1.00 C ATOM 1298 NE2 HIS A 87 18.255 -3.183 0.764 1.00 1.00 N ATOM 0 H HIS A 87 18.342 -7.305 -0.780 1.00 1.00 H new ATOM 0 HA HIS A 87 18.327 -8.561 1.829 1.00 1.00 H new ATOM 0 HB2 HIS A 87 18.893 -6.558 3.090 1.00 1.00 H new ATOM 0 HB3 HIS A 87 20.213 -6.870 1.981 1.00 1.00 H new ATOM 0 HD2 HIS A 87 17.119 -4.383 2.215 1.00 1.00 H new ATOM 0 HE1 HIS A 87 19.891 -2.829 -0.562 1.00 1.00 H new ATOM 0 HE2 HIS A 87 17.702 -2.331 0.670 1.00 1.00 H new ATOM 1306 N LYS A 88 16.110 -7.387 2.305 1.00 1.00 N ATOM 1307 CA LYS A 88 14.714 -6.967 2.375 1.00 1.00 C ATOM 1308 C LYS A 88 14.608 -5.593 3.028 1.00 1.00 C ATOM 1309 O LYS A 88 14.874 -5.439 4.220 1.00 1.00 O ATOM 1310 CB LYS A 88 13.903 -7.983 3.180 1.00 1.00 C ATOM 1311 CG LYS A 88 14.387 -9.397 2.854 1.00 1.00 C ATOM 1312 CD LYS A 88 14.394 -9.597 1.337 1.00 1.00 C ATOM 1313 CE LYS A 88 14.312 -11.091 1.019 1.00 1.00 C ATOM 1314 NZ LYS A 88 12.951 -11.596 1.361 1.00 1.00 N ATOM 0 H LYS A 88 16.443 -7.892 3.127 1.00 1.00 H new ATOM 0 HA LYS A 88 14.316 -6.910 1.362 1.00 1.00 H new ATOM 0 HB2 LYS A 88 14.011 -7.787 4.247 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.843 -7.887 2.944 1.00 1.00 H new ATOM 0 HG2 LYS A 88 15.388 -9.552 3.257 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.736 -10.133 3.326 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.552 -9.072 0.886 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.301 -9.172 0.908 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.520 -11.261 -0.037 1.00 1.00 H new ATOM 0 HE3 LYS A 88 15.067 -11.637 1.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 12.740 -12.439 0.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.916 -11.844 2.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.246 -10.857 1.162 1.00 1.00 H new ATOM 1328 N ILE A 89 14.219 -4.599 2.240 1.00 1.00 N ATOM 1329 CA ILE A 89 14.082 -3.241 2.752 1.00 1.00 C ATOM 1330 C ILE A 89 13.413 -3.262 4.126 1.00 1.00 C ATOM 1331 O ILE A 89 12.583 -4.126 4.409 1.00 1.00 O ATOM 1332 CB ILE A 89 13.275 -2.387 1.755 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.249 -1.492 0.976 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.244 -1.512 2.488 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.503 -0.719 -0.113 1.00 1.00 C ATOM 0 H ILE A 89 13.994 -4.706 1.251 1.00 1.00 H new ATOM 0 HA ILE A 89 15.070 -2.795 2.865 1.00 1.00 H new ATOM 0 HB ILE A 89 12.736 -3.047 1.075 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.737 -0.795 1.657 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.034 -2.101 0.527 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.688 -0.919 1.762 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.554 -2.149 3.041 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.759 -0.847 3.181 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.206 -0.088 -0.658 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.036 -1.422 -0.803 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.735 -0.095 0.345 1.00 1.00 H new ATOM 1347 N THR A 90 13.781 -2.304 4.972 1.00 1.00 N ATOM 1348 CA THR A 90 13.215 -2.215 6.313 1.00 1.00 C ATOM 1349 C THR A 90 12.803 -0.778 6.626 1.00 1.00 C ATOM 1350 O THR A 90 13.063 0.136 5.843 1.00 1.00 O ATOM 1351 CB THR A 90 14.239 -2.690 7.345 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.257 -1.708 7.486 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.860 -4.008 6.879 1.00 1.00 C ATOM 0 H THR A 90 14.466 -1.581 4.753 1.00 1.00 H new ATOM 0 HA THR A 90 12.332 -2.853 6.358 1.00 1.00 H new ATOM 0 HB THR A 90 13.745 -2.842 8.305 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.913 -2.010 8.148 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.590 -4.346 7.614 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.079 -4.760 6.770 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.355 -3.858 5.919 1.00 1.00 H new ATOM 1361 N GLU A 91 12.164 -0.587 7.777 1.00 1.00 N ATOM 1362 CA GLU A 91 11.724 0.743 8.188 1.00 1.00 C ATOM 1363 C GLU A 91 12.903 1.704 8.216 1.00 1.00 C ATOM 1364 O GLU A 91 12.752 2.903 7.979 1.00 1.00 O ATOM 1365 CB GLU A 91 11.087 0.675 9.576 1.00 1.00 C ATOM 1366 CG GLU A 91 12.181 0.606 10.644 1.00 1.00 C ATOM 1367 CD GLU A 91 11.593 0.082 11.949 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.587 0.621 12.380 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.146 -0.861 12.492 1.00 1.00 O ATOM 0 H GLU A 91 11.940 -1.331 8.438 1.00 1.00 H new ATOM 0 HA GLU A 91 10.989 1.104 7.469 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.459 1.550 9.741 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.440 -0.200 9.647 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.988 -0.046 10.310 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.613 1.594 10.800 1.00 1.00 H new ATOM 1376 N ALA A 92 14.075 1.163 8.504 1.00 1.00 N ATOM 1377 CA ALA A 92 15.287 1.970 8.565 1.00 1.00 C ATOM 1378 C ALA A 92 15.845 2.185 7.164 1.00 1.00 C ATOM 1379 O ALA A 92 16.357 3.257 6.848 1.00 1.00 O ATOM 1380 CB ALA A 92 16.336 1.276 9.434 1.00 1.00 C ATOM 0 H ALA A 92 14.215 0.172 8.699 1.00 1.00 H new ATOM 0 HA ALA A 92 15.041 2.937 9.004 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.238 1.887 9.473 1.00 1.00 H new ATOM 0 HB2 ALA A 92 15.943 1.143 10.442 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.576 0.302 9.007 1.00 1.00 H new ATOM 1386 N GLU A 93 15.733 1.160 6.328 1.00 1.00 N ATOM 1387 CA GLU A 93 16.223 1.248 4.963 1.00 1.00 C ATOM 1388 C GLU A 93 15.433 2.297 4.188 1.00 1.00 C ATOM 1389 O GLU A 93 16.003 3.097 3.446 1.00 1.00 O ATOM 1390 CB GLU A 93 16.095 -0.110 4.278 1.00 1.00 C ATOM 1391 CG GLU A 93 17.144 -0.226 3.172 1.00 1.00 C ATOM 1392 CD GLU A 93 18.515 -0.507 3.781 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.638 -0.394 4.990 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.418 -0.834 3.030 1.00 1.00 O ATOM 0 H GLU A 93 15.310 0.265 6.571 1.00 1.00 H new ATOM 0 HA GLU A 93 17.273 1.541 4.983 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.229 -0.910 5.006 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.095 -0.225 3.859 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.872 -1.026 2.484 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.177 0.696 2.592 1.00 1.00 H new ATOM 1401 N ILE A 94 14.117 2.293 4.375 1.00 1.00 N ATOM 1402 CA ILE A 94 13.257 3.256 3.697 1.00 1.00 C ATOM 1403 C ILE A 94 13.608 4.665 4.154 1.00 1.00 C ATOM 1404 O ILE A 94 13.751 5.581 3.342 1.00 1.00 O ATOM 1405 CB ILE A 94 11.789 2.954 4.025 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.234 1.968 2.996 1.00 1.00 C ATOM 1407 CG2 ILE A 94 10.958 4.241 3.991 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.076 1.179 3.613 1.00 1.00 C ATOM 0 H ILE A 94 13.626 1.639 4.985 1.00 1.00 H new ATOM 0 HA ILE A 94 13.407 3.181 2.620 1.00 1.00 H new ATOM 0 HB ILE A 94 11.732 2.523 5.024 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.891 2.505 2.111 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.019 1.286 2.671 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.919 4.010 4.226 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.348 4.945 4.726 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.015 4.685 2.997 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.682 0.477 2.878 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.433 0.630 4.484 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.287 1.868 3.916 1.00 1.00 H new ATOM 1420 N VAL A 95 13.750 4.821 5.462 1.00 1.00 N ATOM 1421 CA VAL A 95 14.092 6.109 6.046 1.00 1.00 C ATOM 1422 C VAL A 95 15.511 6.515 5.659 1.00 1.00 C ATOM 1423 O VAL A 95 15.781 7.684 5.392 1.00 1.00 O ATOM 1424 CB VAL A 95 13.979 6.037 7.570 1.00 1.00 C ATOM 1425 CG1 VAL A 95 14.669 7.251 8.192 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.501 6.031 7.970 1.00 1.00 C ATOM 0 H VAL A 95 13.633 4.069 6.141 1.00 1.00 H new ATOM 0 HA VAL A 95 13.396 6.856 5.664 1.00 1.00 H new ATOM 0 HB VAL A 95 14.458 5.125 7.927 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.588 7.199 9.278 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.721 7.258 7.906 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.191 8.163 7.836 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.418 5.980 9.056 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.024 6.943 7.612 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.008 5.166 7.527 1.00 1.00 H new ATOM 1436 N SER A 96 16.415 5.540 5.656 1.00 1.00 N ATOM 1437 CA SER A 96 17.815 5.811 5.326 1.00 1.00 C ATOM 1438 C SER A 96 17.950 6.359 3.912 1.00 1.00 C ATOM 1439 O SER A 96 18.654 7.343 3.684 1.00 1.00 O ATOM 1440 CB SER A 96 18.644 4.533 5.455 1.00 1.00 C ATOM 1441 OG SER A 96 18.232 3.607 4.459 1.00 1.00 O ATOM 0 H SER A 96 16.209 4.565 5.875 1.00 1.00 H new ATOM 0 HA SER A 96 18.184 6.560 6.027 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.704 4.760 5.342 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.515 4.100 6.447 1.00 1.00 H new ATOM 0 HG SER A 96 17.272 3.711 4.293 1.00 1.00 H new ATOM 1447 N ILE A 97 17.268 5.727 2.964 1.00 1.00 N ATOM 1448 CA ILE A 97 17.325 6.181 1.583 1.00 1.00 C ATOM 1449 C ILE A 97 16.586 7.508 1.461 1.00 1.00 C ATOM 1450 O ILE A 97 17.055 8.439 0.806 1.00 1.00 O ATOM 1451 CB ILE A 97 16.694 5.140 0.652 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.397 3.789 0.832 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.851 5.592 -0.801 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.458 2.664 0.396 1.00 1.00 C ATOM 0 H ILE A 97 16.678 4.911 3.124 1.00 1.00 H new ATOM 0 HA ILE A 97 18.367 6.315 1.292 1.00 1.00 H new ATOM 0 HB ILE A 97 15.637 5.038 0.897 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.313 3.762 0.242 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.685 3.653 1.874 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.402 4.851 -1.463 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.353 6.552 -0.939 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.910 5.695 -1.037 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.957 1.703 0.524 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.555 2.687 1.005 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.192 2.798 -0.652 1.00 1.00 H new ATOM 1466 N LEU A 98 15.431 7.586 2.113 1.00 1.00 N ATOM 1467 CA LEU A 98 14.629 8.801 2.099 1.00 1.00 C ATOM 1468 C LEU A 98 15.455 9.984 2.592 1.00 1.00 C ATOM 1469 O LEU A 98 15.371 11.085 2.047 1.00 1.00 O ATOM 1470 CB LEU A 98 13.409 8.616 3.004 1.00 1.00 C ATOM 1471 CG LEU A 98 12.555 9.881 2.992 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.107 9.516 2.659 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.608 10.543 4.369 1.00 1.00 C ATOM 0 H LEU A 98 15.030 6.822 2.657 1.00 1.00 H new ATOM 0 HA LEU A 98 14.303 8.999 1.078 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.819 7.765 2.663 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.731 8.394 4.021 1.00 1.00 H new ATOM 0 HG LEU A 98 12.938 10.571 2.240 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.497 10.419 2.650 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.068 9.042 1.678 1.00 1.00 H new ATOM 0 HD13 LEU A 98 10.724 8.826 3.411 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.999 11.447 4.362 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.224 9.852 5.120 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.639 10.803 4.608 1.00 1.00 H new ATOM 1485 N ASN A 99 16.255 9.746 3.627 1.00 1.00 N ATOM 1486 CA ASN A 99 17.098 10.793 4.192 1.00 1.00 C ATOM 1487 C ASN A 99 18.214 11.165 3.220 1.00 1.00 C ATOM 1488 O ASN A 99 18.626 12.322 3.144 1.00 1.00 O ATOM 1489 CB ASN A 99 17.705 10.314 5.512 1.00 1.00 C ATOM 1490 CG ASN A 99 17.074 11.065 6.679 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.347 12.248 6.879 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.237 10.446 7.466 1.00 1.00 N ATOM 0 H ASN A 99 16.337 8.841 4.090 1.00 1.00 H new ATOM 0 HA ASN A 99 16.482 11.674 4.373 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.543 9.242 5.628 1.00 1.00 H new ATOM 0 HB3 ASN A 99 18.783 10.475 5.506 1.00 1.00 H new ATOM 0 HD21 ASN A 99 15.809 10.943 8.247 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.011 9.465 7.300 1.00 1.00 H new ATOM 1499 N GLY A 100 18.696 10.174 2.479 1.00 1.00 N ATOM 1500 CA GLY A 100 19.762 10.404 1.511 1.00 1.00 C ATOM 1501 C GLY A 100 19.218 11.092 0.265 1.00 1.00 C ATOM 1502 O GLY A 100 19.922 11.861 -0.392 1.00 1.00 O ATOM 0 H GLY A 100 18.368 9.209 2.529 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.542 11.018 1.961 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.222 9.455 1.237 1.00 1.00 H new ATOM 1506 N ILE A 101 17.960 10.809 -0.054 1.00 1.00 N ATOM 1507 CA ILE A 101 17.323 11.403 -1.224 1.00 1.00 C ATOM 1508 C ILE A 101 17.078 12.892 -1.004 1.00 1.00 C ATOM 1509 O ILE A 101 17.182 13.691 -1.935 1.00 1.00 O ATOM 1510 CB ILE A 101 15.994 10.693 -1.501 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.254 9.422 -2.318 1.00 1.00 C ATOM 1512 CG2 ILE A 101 15.063 11.622 -2.286 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.261 8.335 -1.904 1.00 1.00 C ATOM 0 H ILE A 101 17.363 10.175 0.478 1.00 1.00 H new ATOM 0 HA ILE A 101 17.985 11.285 -2.081 1.00 1.00 H new ATOM 0 HB ILE A 101 15.524 10.429 -0.554 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.153 9.635 -3.382 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.275 9.076 -2.157 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.119 11.112 -2.480 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.875 12.525 -1.705 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.531 11.891 -3.233 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.447 7.432 -2.485 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.383 8.115 -0.843 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.244 8.682 -2.088 1.00 1.00 H new ATOM 1525 N ALA A 102 16.750 13.259 0.229 1.00 1.00 N ATOM 1526 CA ALA A 102 16.491 14.657 0.554 1.00 1.00 C ATOM 1527 C ALA A 102 17.768 15.483 0.432 1.00 1.00 C ATOM 1528 O ALA A 102 17.716 16.696 0.226 1.00 1.00 O ATOM 1529 CB ALA A 102 15.943 14.770 1.978 1.00 1.00 C ATOM 0 H ALA A 102 16.658 12.615 1.014 1.00 1.00 H new ATOM 0 HA ALA A 102 15.754 15.042 -0.151 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.752 15.817 2.212 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.014 14.206 2.056 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.672 14.368 2.681 1.00 1.00 H new ATOM 1535 N LYS A 103 18.912 14.819 0.563 1.00 1.00 N ATOM 1536 CA LYS A 103 20.196 15.506 0.469 1.00 1.00 C ATOM 1537 C LYS A 103 20.554 15.791 -0.987 1.00 1.00 C ATOM 1538 O LYS A 103 20.978 16.896 -1.325 1.00 1.00 O ATOM 1539 CB LYS A 103 21.291 14.650 1.109 1.00 1.00 C ATOM 1540 CG LYS A 103 22.224 15.542 1.932 1.00 1.00 C ATOM 1541 CD LYS A 103 22.848 16.607 1.027 1.00 1.00 C ATOM 1542 CE LYS A 103 24.241 16.966 1.547 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.609 18.331 1.078 1.00 1.00 N ATOM 0 H LYS A 103 18.977 13.815 0.733 1.00 1.00 H new ATOM 0 HA LYS A 103 20.117 16.455 0.999 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.844 13.887 1.747 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.857 14.129 0.337 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.669 16.018 2.741 1.00 1.00 H new ATOM 0 HG3 LYS A 103 23.006 14.939 2.394 1.00 1.00 H new ATOM 0 HD2 LYS A 103 22.914 16.237 0.004 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.217 17.495 1.004 1.00 1.00 H new ATOM 0 HE2 LYS A 103 24.255 16.928 2.636 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.972 16.239 1.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.556 18.576 1.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.611 18.352 0.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.917 19.020 1.437 1.00 1.00 H new ATOM 1557 N GLN A 104 20.387 14.788 -1.843 1.00 1.00 N ATOM 1558 CA GLN A 104 20.703 14.946 -3.259 1.00 1.00 C ATOM 1559 C GLN A 104 19.565 15.650 -3.995 1.00 1.00 C ATOM 1560 O GLN A 104 19.802 16.502 -4.849 1.00 1.00 O ATOM 1561 CB GLN A 104 20.963 13.578 -3.896 1.00 1.00 C ATOM 1562 CG GLN A 104 19.634 12.862 -4.134 1.00 1.00 C ATOM 1563 CD GLN A 104 19.873 11.370 -4.338 1.00 1.00 C ATOM 1564 OE1 GLN A 104 19.864 10.888 -5.470 1.00 1.00 O ATOM 1565 NE2 GLN A 104 20.083 10.605 -3.302 1.00 1.00 N ATOM 0 H GLN A 104 20.038 13.865 -1.585 1.00 1.00 H new ATOM 0 HA GLN A 104 21.601 15.559 -3.341 1.00 1.00 H new ATOM 0 HB2 GLN A 104 21.496 13.700 -4.839 1.00 1.00 H new ATOM 0 HB3 GLN A 104 21.600 12.978 -3.246 1.00 1.00 H new ATOM 0 HG2 GLN A 104 18.970 13.019 -3.284 1.00 1.00 H new ATOM 0 HG3 GLN A 104 19.137 13.282 -5.009 1.00 1.00 H new ATOM 0 HE21 GLN A 104 20.090 11.007 -2.364 1.00 1.00 H new ATOM 0 HE22 GLN A 104 20.240 9.605 -3.430 1.00 1.00 H new ATOM 1574 N GLN A 105 18.331 15.287 -3.658 1.00 1.00 N ATOM 1575 CA GLN A 105 17.168 15.893 -4.297 1.00 1.00 C ATOM 1576 C GLN A 105 17.283 15.796 -5.815 1.00 1.00 C ATOM 1577 O GLN A 105 17.707 14.771 -6.350 1.00 1.00 O ATOM 1578 CB GLN A 105 17.051 17.362 -3.886 1.00 1.00 C ATOM 1579 CG GLN A 105 17.142 17.475 -2.363 1.00 1.00 C ATOM 1580 CD GLN A 105 16.616 18.834 -1.910 1.00 1.00 C ATOM 1581 OE1 GLN A 105 17.391 19.688 -1.480 1.00 1.00 O ATOM 1582 NE2 GLN A 105 15.338 19.084 -1.983 1.00 1.00 N ATOM 0 H GLN A 105 18.112 14.583 -2.953 1.00 1.00 H new ATOM 0 HA GLN A 105 16.277 15.354 -3.974 1.00 1.00 H new ATOM 0 HB2 GLN A 105 17.845 17.945 -4.353 1.00 1.00 H new ATOM 0 HB3 GLN A 105 16.105 17.774 -4.236 1.00 1.00 H new ATOM 0 HG2 GLN A 105 16.564 16.678 -1.895 1.00 1.00 H new ATOM 0 HG3 GLN A 105 18.176 17.350 -2.042 1.00 1.00 H new ATOM 0 HE21 GLN A 105 14.699 18.374 -2.340 1.00 1.00 H new ATOM 0 HE22 GLN A 105 14.978 19.990 -1.683 1.00 1.00 H new ATOM 1591 N ASN A 106 16.905 16.867 -6.504 1.00 1.00 N ATOM 1592 CA ASN A 106 16.973 16.889 -7.960 1.00 1.00 C ATOM 1593 C ASN A 106 17.066 18.323 -8.471 1.00 1.00 C ATOM 1594 O ASN A 106 18.070 18.716 -9.063 1.00 1.00 O ATOM 1595 CB ASN A 106 15.734 16.214 -8.552 1.00 1.00 C ATOM 1596 CG ASN A 106 14.537 16.408 -7.627 1.00 1.00 C ATOM 1597 OD1 ASN A 106 14.609 16.082 -6.442 1.00 1.00 O ATOM 1598 ND2 ASN A 106 13.435 16.921 -8.101 1.00 1.00 N ATOM 0 H ASN A 106 16.551 17.725 -6.082 1.00 1.00 H new ATOM 0 HA ASN A 106 17.866 16.346 -8.271 1.00 1.00 H new ATOM 0 HB2 ASN A 106 15.516 16.634 -9.534 1.00 1.00 H new ATOM 0 HB3 ASN A 106 15.924 15.150 -8.695 1.00 1.00 H new ATOM 0 HD21 ASN A 106 12.630 17.053 -7.489 1.00 1.00 H new ATOM 0 HD22 ASN A 106 13.379 17.190 -9.083 1.00 1.00 H new ATOM 1605 N SER A 107 16.013 19.100 -8.238 1.00 1.00 N ATOM 1606 CA SER A 107 15.990 20.490 -8.681 1.00 1.00 C ATOM 1607 C SER A 107 14.814 21.233 -8.058 1.00 1.00 C ATOM 1608 O SER A 107 14.968 22.335 -7.532 1.00 1.00 O ATOM 1609 CB SER A 107 15.887 20.550 -10.205 1.00 1.00 C ATOM 1610 OG SER A 107 15.914 19.230 -10.729 1.00 1.00 O ATOM 0 H SER A 107 15.171 18.795 -7.749 1.00 1.00 H new ATOM 0 HA SER A 107 16.915 20.969 -8.361 1.00 1.00 H new ATOM 0 HB2 SER A 107 14.965 21.052 -10.499 1.00 1.00 H new ATOM 0 HB3 SER A 107 16.712 21.133 -10.614 1.00 1.00 H new ATOM 0 HG SER A 107 15.847 19.264 -11.706 1.00 1.00 H new ATOM 1616 N GLN A 108 13.637 20.620 -8.122 1.00 1.00 N ATOM 1617 CA GLN A 108 12.438 21.230 -7.564 1.00 1.00 C ATOM 1618 C GLN A 108 11.453 20.157 -7.111 1.00 1.00 C ATOM 1619 O GLN A 108 11.854 19.083 -6.662 1.00 1.00 O ATOM 1620 CB GLN A 108 11.773 22.129 -8.608 1.00 1.00 C ATOM 1621 CG GLN A 108 11.020 23.260 -7.904 1.00 1.00 C ATOM 1622 CD GLN A 108 11.977 24.405 -7.588 1.00 1.00 C ATOM 1623 OE1 GLN A 108 12.591 24.426 -6.522 1.00 1.00 O ATOM 1624 NE2 GLN A 108 12.139 25.366 -8.456 1.00 1.00 N ATOM 0 H GLN A 108 13.489 19.707 -8.552 1.00 1.00 H new ATOM 0 HA GLN A 108 12.727 21.830 -6.701 1.00 1.00 H new ATOM 0 HB2 GLN A 108 12.526 22.542 -9.280 1.00 1.00 H new ATOM 0 HB3 GLN A 108 11.085 21.546 -9.220 1.00 1.00 H new ATOM 0 HG2 GLN A 108 10.208 23.618 -8.538 1.00 1.00 H new ATOM 0 HG3 GLN A 108 10.567 22.889 -6.985 1.00 1.00 H new ATOM 0 HE21 GLN A 108 11.629 25.347 -9.339 1.00 1.00 H new ATOM 0 HE22 GLN A 108 12.776 26.136 -8.251 1.00 1.00 H new ATOM 1633 N ASN A 109 10.162 20.458 -7.230 1.00 1.00 N ATOM 1634 CA ASN A 109 9.124 19.513 -6.830 1.00 1.00 C ATOM 1635 C ASN A 109 8.460 18.895 -8.055 1.00 1.00 C ATOM 1636 O ASN A 109 8.794 17.782 -8.461 1.00 1.00 O ATOM 1637 CB ASN A 109 8.069 20.226 -5.982 1.00 1.00 C ATOM 1638 CG ASN A 109 8.664 20.630 -4.638 1.00 1.00 C ATOM 1639 OD1 ASN A 109 9.881 20.584 -4.458 1.00 1.00 O ATOM 1640 ND2 ASN A 109 7.875 21.028 -3.679 1.00 1.00 N ATOM 0 H ASN A 109 9.812 21.343 -7.598 1.00 1.00 H new ATOM 0 HA ASN A 109 9.588 18.720 -6.244 1.00 1.00 H new ATOM 0 HB2 ASN A 109 7.704 21.109 -6.507 1.00 1.00 H new ATOM 0 HB3 ASN A 109 7.212 19.571 -5.827 1.00 1.00 H new ATOM 0 HD21 ASN A 109 8.266 21.302 -2.778 1.00 1.00 H new ATOM 0 HD22 ASN A 109 6.867 21.065 -3.830 1.00 1.00 H new ATOM 1647 N ASN A 110 7.515 19.624 -8.641 1.00 1.00 N ATOM 1648 CA ASN A 110 6.807 19.138 -9.818 1.00 1.00 C ATOM 1649 C ASN A 110 6.253 17.739 -9.571 1.00 1.00 C ATOM 1650 O ASN A 110 6.290 16.880 -10.452 1.00 1.00 O ATOM 1651 CB ASN A 110 7.752 19.108 -11.023 1.00 1.00 C ATOM 1652 CG ASN A 110 6.957 19.289 -12.312 1.00 1.00 C ATOM 1653 OD1 ASN A 110 6.251 20.286 -12.471 1.00 1.00 O ATOM 1654 ND2 ASN A 110 7.028 18.382 -13.245 1.00 1.00 N ATOM 0 H ASN A 110 7.224 20.548 -8.322 1.00 1.00 H new ATOM 0 HA ASN A 110 5.978 19.815 -10.023 1.00 1.00 H new ATOM 0 HB2 ASN A 110 8.497 19.898 -10.931 1.00 1.00 H new ATOM 0 HB3 ASN A 110 8.292 18.162 -11.049 1.00 1.00 H new ATOM 0 HD21 ASN A 110 6.498 18.497 -14.109 1.00 1.00 H new ATOM 0 HD22 ASN A 110 7.613 17.557 -13.111 1.00 1.00 H new ATOM 1661 N SER A 111 5.738 17.519 -8.365 1.00 1.00 N ATOM 1662 CA SER A 111 5.176 16.220 -8.011 1.00 1.00 C ATOM 1663 C SER A 111 3.663 16.221 -8.199 1.00 1.00 C ATOM 1664 O SER A 111 3.036 17.281 -8.216 1.00 1.00 O ATOM 1665 CB SER A 111 5.512 15.886 -6.557 1.00 1.00 C ATOM 1666 OG SER A 111 5.535 14.473 -6.394 1.00 1.00 O ATOM 0 H SER A 111 5.698 18.217 -7.622 1.00 1.00 H new ATOM 0 HA SER A 111 5.611 15.466 -8.667 1.00 1.00 H new ATOM 0 HB2 SER A 111 6.479 16.311 -6.288 1.00 1.00 H new ATOM 0 HB3 SER A 111 4.773 16.329 -5.890 1.00 1.00 H new ATOM 0 HG SER A 111 5.752 14.255 -5.464 1.00 1.00 H new ATOM 1672 N LYS A 112 3.091 15.026 -8.336 1.00 1.00 N ATOM 1673 CA LYS A 112 1.647 14.878 -8.524 1.00 1.00 C ATOM 1674 C LYS A 112 1.075 16.038 -9.334 1.00 1.00 C ATOM 1675 O LYS A 112 0.014 16.570 -9.007 1.00 1.00 O ATOM 1676 CB LYS A 112 0.949 14.813 -7.164 1.00 1.00 C ATOM 1677 CG LYS A 112 -0.320 13.967 -7.283 1.00 1.00 C ATOM 1678 CD LYS A 112 -1.216 14.218 -6.067 1.00 1.00 C ATOM 1679 CE LYS A 112 -2.164 15.380 -6.361 1.00 1.00 C ATOM 1680 NZ LYS A 112 -2.560 16.035 -5.082 1.00 1.00 N ATOM 0 H LYS A 112 3.605 14.145 -8.320 1.00 1.00 H new ATOM 0 HA LYS A 112 1.471 13.953 -9.074 1.00 1.00 H new ATOM 0 HB2 LYS A 112 1.618 14.381 -6.420 1.00 1.00 H new ATOM 0 HB3 LYS A 112 0.699 15.818 -6.823 1.00 1.00 H new ATOM 0 HG2 LYS A 112 -0.853 14.219 -8.200 1.00 1.00 H new ATOM 0 HG3 LYS A 112 -0.061 12.910 -7.345 1.00 1.00 H new ATOM 0 HD2 LYS A 112 -1.787 13.320 -5.832 1.00 1.00 H new ATOM 0 HD3 LYS A 112 -0.605 14.446 -5.193 1.00 1.00 H new ATOM 0 HE2 LYS A 112 -1.678 16.103 -7.017 1.00 1.00 H new ATOM 0 HE3 LYS A 112 -3.048 15.018 -6.885 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 -3.205 16.826 -5.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 -3.040 15.343 -4.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 -1.712 16.394 -4.599 1.00 1.00 H new ATOM 1694 N ILE A 113 1.788 16.422 -10.391 1.00 1.00 N ATOM 1695 CA ILE A 113 1.350 17.519 -11.248 1.00 1.00 C ATOM 1696 C ILE A 113 1.273 17.060 -12.701 1.00 1.00 C ATOM 1697 O ILE A 113 0.421 17.516 -13.463 1.00 1.00 O ATOM 1698 CB ILE A 113 2.324 18.695 -11.126 1.00 1.00 C ATOM 1699 CG1 ILE A 113 1.956 19.535 -9.895 1.00 1.00 C ATOM 1700 CG2 ILE A 113 2.257 19.562 -12.387 1.00 1.00 C ATOM 1701 CD1 ILE A 113 0.914 20.595 -10.272 1.00 1.00 C ATOM 0 H ILE A 113 2.668 15.991 -10.673 1.00 1.00 H new ATOM 0 HA ILE A 113 0.358 17.838 -10.928 1.00 1.00 H new ATOM 0 HB ILE A 113 3.339 18.314 -11.015 1.00 1.00 H new ATOM 0 HG12 ILE A 113 1.562 18.890 -9.110 1.00 1.00 H new ATOM 0 HG13 ILE A 113 2.848 20.017 -9.494 1.00 1.00 H new ATOM 0 HG21 ILE A 113 2.952 20.396 -12.292 1.00 1.00 H new ATOM 0 HG22 ILE A 113 2.526 18.962 -13.256 1.00 1.00 H new ATOM 0 HG23 ILE A 113 1.244 19.946 -12.511 1.00 1.00 H new ATOM 0 HD11 ILE A 113 0.660 21.185 -9.391 1.00 1.00 H new ATOM 0 HD12 ILE A 113 1.323 21.249 -11.042 1.00 1.00 H new ATOM 0 HD13 ILE A 113 0.017 20.105 -10.651 1.00 1.00 H new ATOM 1713 N ILE A 114 2.169 16.153 -13.076 1.00 1.00 N ATOM 1714 CA ILE A 114 2.192 15.637 -14.441 1.00 1.00 C ATOM 1715 C ILE A 114 0.978 14.750 -14.695 1.00 1.00 C ATOM 1716 O ILE A 114 0.751 14.299 -15.818 1.00 1.00 O ATOM 1717 CB ILE A 114 3.475 14.833 -14.692 1.00 1.00 C ATOM 1718 CG1 ILE A 114 3.990 14.232 -13.375 1.00 1.00 C ATOM 1719 CG2 ILE A 114 4.542 15.748 -15.300 1.00 1.00 C ATOM 1720 CD1 ILE A 114 4.936 15.213 -12.675 1.00 1.00 C ATOM 0 H ILE A 114 2.883 15.763 -12.461 1.00 1.00 H new ATOM 0 HA ILE A 114 2.165 16.486 -15.124 1.00 1.00 H new ATOM 0 HB ILE A 114 3.257 14.021 -15.386 1.00 1.00 H new ATOM 0 HG12 ILE A 114 3.150 13.998 -12.721 1.00 1.00 H new ATOM 0 HG13 ILE A 114 4.510 13.295 -13.574 1.00 1.00 H new ATOM 0 HG21 ILE A 114 5.453 15.176 -15.478 1.00 1.00 H new ATOM 0 HG22 ILE A 114 4.178 16.154 -16.244 1.00 1.00 H new ATOM 0 HG23 ILE A 114 4.755 16.566 -14.611 1.00 1.00 H new ATOM 0 HD11 ILE A 114 5.292 14.773 -11.744 1.00 1.00 H new ATOM 0 HD12 ILE A 114 5.785 15.426 -13.324 1.00 1.00 H new ATOM 0 HD13 ILE A 114 4.404 16.139 -12.458 1.00 1.00 H new ATOM 1732 N PHE A 115 0.204 14.503 -13.643 1.00 1.00 N ATOM 1733 CA PHE A 115 -0.985 13.667 -13.764 1.00 1.00 C ATOM 1734 C PHE A 115 -1.967 14.272 -14.764 1.00 1.00 C ATOM 1735 O PHE A 115 -2.753 15.154 -14.421 1.00 1.00 O ATOM 1736 CB PHE A 115 -1.665 13.529 -12.399 1.00 1.00 C ATOM 1737 CG PHE A 115 -2.571 12.320 -12.407 1.00 1.00 C ATOM 1738 CD1 PHE A 115 -2.018 11.033 -12.400 1.00 1.00 C ATOM 1739 CD2 PHE A 115 -3.959 12.485 -12.421 1.00 1.00 C ATOM 1740 CE1 PHE A 115 -2.856 9.912 -12.406 1.00 1.00 C ATOM 1741 CE2 PHE A 115 -4.798 11.364 -12.428 1.00 1.00 C ATOM 1742 CZ PHE A 115 -4.246 10.077 -12.420 1.00 1.00 C ATOM 0 H PHE A 115 0.376 14.866 -12.705 1.00 1.00 H new ATOM 0 HA PHE A 115 -0.681 12.683 -14.121 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -0.914 13.429 -11.615 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -2.241 14.427 -12.175 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -0.946 10.906 -12.390 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -4.384 13.478 -12.426 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -2.430 8.920 -12.400 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -5.870 11.492 -12.440 1.00 1.00 H new ATOM 0 HZ PHE A 115 -4.893 9.212 -12.425 1.00 1.00 H new ATOM 1752 N GLU A 116 -1.913 13.789 -16.002 1.00 1.00 N ATOM 1753 CA GLU A 116 -2.802 14.290 -17.045 1.00 1.00 C ATOM 1754 C GLU A 116 -3.335 13.138 -17.891 1.00 1.00 C ATOM 1755 O GLU A 116 -4.496 13.191 -18.264 1.00 1.00 O ATOM 1756 CB GLU A 116 -2.051 15.278 -17.939 1.00 1.00 C ATOM 1757 CG GLU A 116 -2.269 16.701 -17.420 1.00 1.00 C ATOM 1758 CD GLU A 116 -1.263 17.651 -18.062 1.00 1.00 C ATOM 1759 OE1 GLU A 116 -0.378 17.168 -18.749 1.00 1.00 O ATOM 1760 OE2 GLU A 116 -1.392 18.847 -17.859 1.00 1.00 O ATOM 0 H GLU A 116 -1.269 13.058 -16.306 1.00 1.00 H new ATOM 0 HA GLU A 116 -3.642 14.796 -16.570 1.00 1.00 H new ATOM 0 HB2 GLU A 116 -0.987 15.041 -17.948 1.00 1.00 H new ATOM 0 HB3 GLU A 116 -2.404 15.196 -18.967 1.00 1.00 H new ATOM 0 HG2 GLU A 116 -3.284 17.027 -17.645 1.00 1.00 H new ATOM 0 HG3 GLU A 116 -2.160 16.722 -16.336 1.00 1.00 H new TER 1767 GLU A 116 HETATM 1768 O1 MTN A 128 2.943 2.035 -10.401 1.00 1.00 O HETATM 1769 N1 MTN A 128 3.776 2.851 -10.893 1.00 1.00 N HETATM 1770 C1 MTN A 128 5.235 2.733 -10.695 1.00 1.00 C HETATM 1771 C2 MTN A 128 5.693 3.914 -11.467 1.00 1.00 C HETATM 1772 C3 MTN A 128 4.711 4.602 -12.017 1.00 1.00 C HETATM 1773 C4 MTN A 128 4.887 5.831 -12.844 1.00 1.00 C HETATM 1774 S1 MTN A 128 6.484 5.937 -13.686 1.00 1.00 S HETATM 1775 C5 MTN A 128 3.353 4.015 -11.723 1.00 1.00 C HETATM 1776 C6 MTN A 128 2.410 4.991 -11.033 1.00 1.00 C HETATM 1777 C7 MTN A 128 2.736 3.490 -13.014 1.00 1.00 C HETATM 1778 C8 MTN A 128 5.743 1.449 -11.329 1.00 1.00 C HETATM 1779 C9 MTN A 128 5.648 2.824 -9.227 1.00 1.00 C HETATM 0 H93 MTN A 128 5.336 3.786 -8.820 1.00 1.00 H new HETATM 0 H92 MTN A 128 5.172 2.021 -8.665 1.00 1.00 H new HETATM 0 H91 MTN A 128 6.731 2.730 -9.147 1.00 1.00 H new HETATM 0 H83 MTN A 128 5.248 0.595 -10.867 1.00 1.00 H new HETATM 0 H82 MTN A 128 5.526 1.460 -12.397 1.00 1.00 H new HETATM 0 H81 MTN A 128 6.820 1.370 -11.178 1.00 1.00 H new HETATM 0 H73 MTN A 128 3.473 2.896 -13.555 1.00 1.00 H new HETATM 0 H72 MTN A 128 1.872 2.868 -12.778 1.00 1.00 H new HETATM 0 H71 MTN A 128 2.421 4.329 -13.634 1.00 1.00 H new HETATM 0 H63 MTN A 128 1.498 4.470 -10.740 1.00 1.00 H new HETATM 0 H62 MTN A 128 2.895 5.401 -10.147 1.00 1.00 H new HETATM 0 H61 MTN A 128 2.161 5.802 -11.718 1.00 1.00 H new HETATM 0 H42 MTN A 128 4.093 5.870 -13.590 1.00 1.00 H new HETATM 0 H41 MTN A 128 4.768 6.706 -12.205 1.00 1.00 H new HETATM 0 H2 MTN A 128 6.743 4.188 -11.570 1.00 1.00 H new HETATM 1795 O1 MTN A 129 1.684 0.326 -7.044 1.00 1.00 O HETATM 1796 N1 MTN A 129 1.247 0.346 -8.233 1.00 1.00 N HETATM 1797 C1 MTN A 129 1.678 -0.620 -9.267 1.00 1.00 C HETATM 1798 C2 MTN A 129 0.876 -0.136 -10.416 1.00 1.00 C HETATM 1799 C3 MTN A 129 0.114 0.905 -10.134 1.00 1.00 C HETATM 1800 C4 MTN A 129 -0.794 1.587 -11.102 1.00 1.00 C HETATM 1801 S1 MTN A 129 -0.312 1.392 -12.834 1.00 1.00 S HETATM 1802 C5 MTN A 129 0.251 1.353 -8.698 1.00 1.00 C HETATM 1803 C6 MTN A 129 0.686 2.806 -8.553 1.00 1.00 C HETATM 1804 C7 MTN A 129 -1.062 1.108 -7.964 1.00 1.00 C HETATM 1805 C8 MTN A 129 1.254 -2.023 -8.871 1.00 1.00 C HETATM 1806 C9 MTN A 129 3.177 -0.558 -9.555 1.00 1.00 C HETATM 0 H93 MTN A 129 3.439 0.440 -9.906 1.00 1.00 H new HETATM 0 H92 MTN A 129 3.732 -0.780 -8.644 1.00 1.00 H new HETATM 0 H91 MTN A 129 3.431 -1.290 -10.322 1.00 1.00 H new HETATM 0 H83 MTN A 129 1.714 -2.287 -7.919 1.00 1.00 H new HETATM 0 H82 MTN A 129 0.169 -2.061 -8.773 1.00 1.00 H new HETATM 0 H81 MTN A 129 1.574 -2.730 -9.637 1.00 1.00 H new HETATM 0 H73 MTN A 129 -1.420 0.102 -8.184 1.00 1.00 H new HETATM 0 H72 MTN A 129 -0.903 1.210 -6.890 1.00 1.00 H new HETATM 0 H71 MTN A 129 -1.804 1.836 -8.292 1.00 1.00 H new HETATM 0 H63 MTN A 129 0.882 3.024 -7.503 1.00 1.00 H new HETATM 0 H62 MTN A 129 1.593 2.974 -9.134 1.00 1.00 H new HETATM 0 H61 MTN A 129 -0.105 3.461 -8.918 1.00 1.00 H new HETATM 0 H42 MTN A 129 -1.804 1.198 -10.972 1.00 1.00 H new HETATM 0 H41 MTN A 129 -0.829 2.650 -10.864 1.00 1.00 H new HETATM 0 H2 MTN A 129 0.912 -0.597 -11.403 1.00 1.00 H new