USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 SER OG : rot -28:sc= 1.2 USER MOD Set 1.2: A 101 CYS SG : rot 180:sc= -0.0499 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0 (180deg=-0.338) USER MOD Single : A 6 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -99:sc= -1.59! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 31 SER OG : rot 180:sc= 0.135 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.229 K(o=0.23,f=-3.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.836 K(o=-0.84,f=-3.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 63:sc= 0.97 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -26:sc= 0.702 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -97:sc= 0.107 USER MOD Single : A 82 THR OG1 : rot 131:sc= -1.33 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0956 USER MOD Single : A 102 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.12) USER MOD Single : A 114 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.306 -11.369 34.969 1.00 0.00 N ATOM 2 CA MET A 1 -22.422 -12.337 34.801 1.00 0.00 C ATOM 3 C MET A 1 -22.038 -13.460 33.844 1.00 0.00 C ATOM 4 O MET A 1 -21.755 -13.221 32.670 1.00 0.00 O ATOM 5 CB MET A 1 -23.643 -11.585 34.270 1.00 0.00 C ATOM 6 CG MET A 1 -23.309 -10.563 33.195 1.00 0.00 C ATOM 7 SD MET A 1 -24.750 -10.077 32.227 1.00 0.00 S ATOM 8 CE MET A 1 -25.306 -8.642 33.145 1.00 0.00 C ATOM 0 H1 MET A 1 -21.671 -10.485 35.378 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.588 -11.773 35.604 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.877 -11.170 34.043 1.00 0.00 H new ATOM 0 HA MET A 1 -22.650 -12.791 35.765 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.355 -12.305 33.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.137 -11.079 35.100 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.875 -9.679 33.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.551 -10.976 32.529 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.194 -8.227 32.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.546 -8.935 34.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.517 -7.891 33.159 1.00 0.00 H new ATOM 20 N ALA A 2 -22.034 -14.688 34.352 1.00 0.00 N ATOM 21 CA ALA A 2 -21.688 -15.850 33.543 1.00 0.00 C ATOM 22 C ALA A 2 -20.258 -15.750 33.024 1.00 0.00 C ATOM 23 O ALA A 2 -19.955 -16.201 31.919 1.00 0.00 O ATOM 24 CB ALA A 2 -22.663 -15.995 32.384 1.00 0.00 C ATOM 0 H ALA A 2 -22.267 -14.904 35.321 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.757 -16.736 34.174 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.393 -16.867 31.788 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.674 -16.120 32.772 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.622 -15.102 31.760 1.00 0.00 H new ATOM 30 N ASP A 3 -19.381 -15.155 33.827 1.00 0.00 N ATOM 31 CA ASP A 3 -17.982 -14.996 33.448 1.00 0.00 C ATOM 32 C ASP A 3 -17.837 -13.982 32.318 1.00 0.00 C ATOM 33 O ASP A 3 -17.877 -14.339 31.141 1.00 0.00 O ATOM 34 CB ASP A 3 -17.394 -16.341 33.019 1.00 0.00 C ATOM 35 CG ASP A 3 -16.032 -16.599 33.632 1.00 0.00 C ATOM 36 OD1 ASP A 3 -15.414 -15.636 34.132 1.00 0.00 O ATOM 37 OD2 ASP A 3 -15.583 -17.764 33.611 1.00 0.00 O ATOM 0 H ASP A 3 -19.615 -14.775 34.744 1.00 0.00 H new ATOM 0 HA ASP A 3 -17.435 -14.627 34.316 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.076 -17.141 33.307 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.311 -16.368 31.932 1.00 0.00 H new ATOM 42 N PHE A 4 -17.667 -12.716 32.684 1.00 0.00 N ATOM 43 CA PHE A 4 -17.515 -11.649 31.701 1.00 0.00 C ATOM 44 C PHE A 4 -16.120 -11.039 31.770 1.00 0.00 C ATOM 45 O PHE A 4 -15.880 -10.097 32.525 1.00 0.00 O ATOM 46 CB PHE A 4 -18.570 -10.564 31.930 1.00 0.00 C ATOM 47 CG PHE A 4 -19.612 -10.502 30.850 1.00 0.00 C ATOM 48 CD1 PHE A 4 -20.344 -11.628 30.511 1.00 0.00 C ATOM 49 CD2 PHE A 4 -19.860 -9.318 30.176 1.00 0.00 C ATOM 50 CE1 PHE A 4 -21.304 -11.575 29.517 1.00 0.00 C ATOM 51 CE2 PHE A 4 -20.818 -9.257 29.182 1.00 0.00 C ATOM 52 CZ PHE A 4 -21.541 -10.388 28.853 1.00 0.00 C ATOM 0 H PHE A 4 -17.631 -12.404 33.654 1.00 0.00 H new ATOM 0 HA PHE A 4 -17.654 -12.080 30.710 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -19.061 -10.742 32.887 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -18.074 -9.596 32.001 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -20.163 -12.558 31.029 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -19.298 -8.432 30.430 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -21.867 -12.460 29.261 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -21.001 -8.328 28.663 1.00 0.00 H new ATOM 0 HZ PHE A 4 -22.291 -10.343 28.077 1.00 0.00 H new ATOM 62 N ASP A 5 -15.202 -11.582 30.976 1.00 0.00 N ATOM 63 CA ASP A 5 -13.829 -11.091 30.945 1.00 0.00 C ATOM 64 C ASP A 5 -13.235 -11.230 29.547 1.00 0.00 C ATOM 65 O ASP A 5 -12.086 -11.645 29.388 1.00 0.00 O ATOM 66 CB ASP A 5 -12.971 -11.854 31.957 1.00 0.00 C ATOM 67 CG ASP A 5 -11.685 -11.125 32.291 1.00 0.00 C ATOM 68 OD1 ASP A 5 -11.128 -10.459 31.393 1.00 0.00 O ATOM 69 OD2 ASP A 5 -11.235 -11.220 33.453 1.00 0.00 O ATOM 0 H ASP A 5 -15.385 -12.363 30.345 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.839 -10.034 31.212 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.545 -12.010 32.871 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.733 -12.840 31.557 1.00 0.00 H new ATOM 74 N ASN A 6 -14.027 -10.883 28.537 1.00 0.00 N ATOM 75 CA ASN A 6 -13.582 -10.970 27.152 1.00 0.00 C ATOM 76 C ASN A 6 -13.451 -12.424 26.711 1.00 0.00 C ATOM 77 O ASN A 6 -13.554 -13.342 27.525 1.00 0.00 O ATOM 78 CB ASN A 6 -12.243 -10.251 26.978 1.00 0.00 C ATOM 79 CG ASN A 6 -12.104 -9.611 25.610 1.00 0.00 C ATOM 80 OD1 ASN A 6 -13.097 -9.324 24.943 1.00 0.00 O ATOM 81 ND2 ASN A 6 -10.866 -9.387 25.185 1.00 0.00 N ATOM 0 H ASN A 6 -14.980 -10.539 28.653 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.332 -10.486 26.526 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.143 -9.485 27.747 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.430 -10.961 27.128 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.710 -8.961 24.272 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.071 -9.641 25.772 1.00 0.00 H new ATOM 88 N LEU A 7 -13.225 -12.627 25.417 1.00 0.00 N ATOM 89 CA LEU A 7 -13.083 -13.969 24.867 1.00 0.00 C ATOM 90 C LEU A 7 -14.386 -14.752 24.995 1.00 0.00 C ATOM 91 O LEU A 7 -14.954 -14.855 26.081 1.00 0.00 O ATOM 92 CB LEU A 7 -11.956 -14.718 25.582 1.00 0.00 C ATOM 93 CG LEU A 7 -10.695 -13.893 25.845 1.00 0.00 C ATOM 94 CD1 LEU A 7 -10.150 -14.180 27.236 1.00 0.00 C ATOM 95 CD2 LEU A 7 -9.641 -14.181 24.787 1.00 0.00 C ATOM 0 H LEU A 7 -13.136 -11.878 24.730 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.838 -13.876 23.809 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.334 -15.089 26.535 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.684 -15.589 24.986 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.956 -12.836 25.791 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.253 -13.584 27.405 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.902 -13.923 27.982 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.904 -15.239 27.319 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.750 -13.586 24.989 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.383 -15.240 24.809 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.033 -13.924 23.803 1.00 0.00 H new ATOM 107 N PHE A 8 -14.852 -15.301 23.878 1.00 0.00 N ATOM 108 CA PHE A 8 -16.088 -16.074 23.868 1.00 0.00 C ATOM 109 C PHE A 8 -15.823 -17.522 23.468 1.00 0.00 C ATOM 110 O PHE A 8 -15.210 -17.788 22.434 1.00 0.00 O ATOM 111 CB PHE A 8 -17.101 -15.447 22.908 1.00 0.00 C ATOM 112 CG PHE A 8 -18.457 -15.236 23.519 1.00 0.00 C ATOM 113 CD1 PHE A 8 -18.591 -14.564 24.723 1.00 0.00 C ATOM 114 CD2 PHE A 8 -19.597 -15.709 22.889 1.00 0.00 C ATOM 115 CE1 PHE A 8 -19.837 -14.368 25.288 1.00 0.00 C ATOM 116 CE2 PHE A 8 -20.845 -15.516 23.449 1.00 0.00 C ATOM 117 CZ PHE A 8 -20.966 -14.845 24.650 1.00 0.00 C ATOM 0 H PHE A 8 -14.393 -15.225 22.970 1.00 0.00 H new ATOM 0 HA PHE A 8 -16.499 -16.063 24.877 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -16.715 -14.489 22.561 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -17.202 -16.087 22.031 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -17.712 -14.189 25.226 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -19.509 -16.234 21.950 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -19.928 -13.843 26.227 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -21.726 -15.890 22.948 1.00 0.00 H new ATOM 0 HZ PHE A 8 -21.941 -14.693 25.090 1.00 0.00 H new ATOM 127 N ASP A 9 -16.289 -18.454 24.293 1.00 0.00 N ATOM 128 CA ASP A 9 -16.101 -19.874 24.026 1.00 0.00 C ATOM 129 C ASP A 9 -14.633 -20.263 24.158 1.00 0.00 C ATOM 130 O ASP A 9 -14.254 -20.994 25.074 1.00 0.00 O ATOM 131 CB ASP A 9 -16.608 -20.221 22.624 1.00 0.00 C ATOM 132 CG ASP A 9 -16.817 -21.711 22.436 1.00 0.00 C ATOM 133 OD1 ASP A 9 -17.748 -22.263 23.059 1.00 0.00 O ATOM 134 OD2 ASP A 9 -16.050 -22.325 21.666 1.00 0.00 O ATOM 0 H ASP A 9 -16.800 -18.251 25.152 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.675 -20.436 24.763 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.547 -19.699 22.441 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.894 -19.861 21.883 1.00 0.00 H new ATOM 139 N ALA A 10 -13.804 -19.751 23.250 1.00 0.00 N ATOM 140 CA ALA A 10 -12.373 -20.048 23.252 1.00 0.00 C ATOM 141 C ALA A 10 -12.096 -21.427 22.660 1.00 0.00 C ATOM 142 O ALA A 10 -11.033 -22.005 22.883 1.00 0.00 O ATOM 143 CB ALA A 10 -11.799 -19.949 24.660 1.00 0.00 C ATOM 0 H ALA A 10 -14.101 -19.126 22.501 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.880 -19.304 22.626 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.733 -20.174 24.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.948 -18.940 25.043 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.305 -20.662 25.310 1.00 0.00 H new ATOM 149 N ALA A 11 -13.056 -21.946 21.899 1.00 0.00 N ATOM 150 CA ALA A 11 -12.908 -23.248 21.265 1.00 0.00 C ATOM 151 C ALA A 11 -13.511 -23.254 19.860 1.00 0.00 C ATOM 152 O ALA A 11 -13.712 -24.316 19.269 1.00 0.00 O ATOM 153 CB ALA A 11 -13.552 -24.329 22.122 1.00 0.00 C ATOM 0 H ALA A 11 -13.944 -21.483 21.708 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.842 -23.457 21.173 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.434 -25.297 21.636 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.071 -24.353 23.100 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.613 -24.112 22.245 1.00 0.00 H new ATOM 159 N ILE A 12 -13.798 -22.068 19.326 1.00 0.00 N ATOM 160 CA ILE A 12 -14.374 -21.953 17.991 1.00 0.00 C ATOM 161 C ILE A 12 -13.527 -21.046 17.105 1.00 0.00 C ATOM 162 O ILE A 12 -13.316 -21.335 15.926 1.00 0.00 O ATOM 163 CB ILE A 12 -15.812 -21.405 18.042 1.00 0.00 C ATOM 164 CG1 ILE A 12 -16.427 -21.395 16.642 1.00 0.00 C ATOM 165 CG2 ILE A 12 -15.827 -20.008 18.643 1.00 0.00 C ATOM 166 CD1 ILE A 12 -16.728 -22.775 16.102 1.00 0.00 C ATOM 0 H ILE A 12 -13.641 -21.177 19.797 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.393 -22.957 17.568 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.411 -22.058 18.677 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -17.349 -20.814 16.664 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -15.746 -20.887 15.959 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -16.851 -19.635 18.672 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -15.425 -20.043 19.656 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -15.216 -19.343 18.033 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -17.162 -22.689 15.106 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -15.806 -23.353 16.047 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.434 -23.278 16.763 1.00 0.00 H new ATOM 178 N ALA A 13 -13.045 -19.949 17.679 1.00 0.00 N ATOM 179 CA ALA A 13 -12.219 -18.999 16.943 1.00 0.00 C ATOM 180 C ALA A 13 -10.782 -19.497 16.827 1.00 0.00 C ATOM 181 O ALA A 13 -10.110 -19.724 17.833 1.00 0.00 O ATOM 182 CB ALA A 13 -12.255 -17.635 17.615 1.00 0.00 C ATOM 0 H ALA A 13 -13.212 -19.696 18.653 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.626 -18.905 15.936 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.634 -16.937 17.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.281 -17.269 17.640 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.876 -17.721 18.633 1.00 0.00 H new ATOM 188 N ARG A 14 -10.316 -19.665 15.593 1.00 0.00 N ATOM 189 CA ARG A 14 -8.959 -20.139 15.348 1.00 0.00 C ATOM 190 C ARG A 14 -8.264 -19.284 14.294 1.00 0.00 C ATOM 191 O ARG A 14 -7.419 -19.771 13.544 1.00 0.00 O ATOM 192 CB ARG A 14 -8.982 -21.601 14.896 1.00 0.00 C ATOM 193 CG ARG A 14 -9.807 -21.837 13.640 1.00 0.00 C ATOM 194 CD ARG A 14 -9.825 -23.306 13.252 1.00 0.00 C ATOM 195 NE ARG A 14 -11.185 -23.813 13.092 1.00 0.00 N ATOM 196 CZ ARG A 14 -11.469 -25.037 12.658 1.00 0.00 C ATOM 197 NH1 ARG A 14 -10.490 -25.875 12.346 1.00 0.00 N ATOM 198 NH2 ARG A 14 -12.731 -25.425 12.539 1.00 0.00 N ATOM 0 H ARG A 14 -10.858 -19.480 14.749 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.401 -20.060 16.281 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.959 -21.933 14.717 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.380 -22.216 15.703 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.827 -21.491 13.804 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.398 -21.248 12.819 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.276 -23.442 12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.308 -23.889 14.015 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.961 -23.193 13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.518 -25.581 12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.709 -26.814 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.487 -24.784 12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.946 -26.365 12.206 1.00 0.00 H new ATOM 212 N ALA A 15 -8.625 -18.006 14.244 1.00 0.00 N ATOM 213 CA ALA A 15 -8.035 -17.083 13.281 1.00 0.00 C ATOM 214 C ALA A 15 -8.662 -15.697 13.392 1.00 0.00 C ATOM 215 O ALA A 15 -8.026 -14.754 13.864 1.00 0.00 O ATOM 216 CB ALA A 15 -8.192 -17.623 11.868 1.00 0.00 C ATOM 0 H ALA A 15 -9.323 -17.586 14.858 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.973 -16.991 13.508 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.747 -16.924 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.691 -18.588 11.789 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.251 -17.745 11.641 1.00 0.00 H new ATOM 222 N ASP A 16 -9.911 -15.580 12.956 1.00 0.00 N ATOM 223 CA ASP A 16 -10.621 -14.308 13.008 1.00 0.00 C ATOM 224 C ASP A 16 -12.005 -14.427 12.377 1.00 0.00 C ATOM 225 O ASP A 16 -13.020 -14.197 13.033 1.00 0.00 O ATOM 226 CB ASP A 16 -9.816 -13.221 12.295 1.00 0.00 C ATOM 227 CG ASP A 16 -9.559 -12.017 13.179 1.00 0.00 C ATOM 228 OD1 ASP A 16 -10.520 -11.272 13.463 1.00 0.00 O ATOM 229 OD2 ASP A 16 -8.395 -11.818 13.588 1.00 0.00 O ATOM 0 H ASP A 16 -10.452 -16.350 12.563 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.743 -14.034 14.056 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.863 -13.636 11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.352 -12.904 11.401 1.00 0.00 H new ATOM 234 N GLU A 17 -12.036 -14.784 11.097 1.00 0.00 N ATOM 235 CA GLU A 17 -13.294 -14.928 10.376 1.00 0.00 C ATOM 236 C GLU A 17 -13.999 -13.582 10.241 1.00 0.00 C ATOM 237 O GLU A 17 -14.281 -12.917 11.237 1.00 0.00 O ATOM 238 CB GLU A 17 -14.208 -15.924 11.093 1.00 0.00 C ATOM 239 CG GLU A 17 -14.820 -16.964 10.169 1.00 0.00 C ATOM 240 CD GLU A 17 -15.845 -17.834 10.868 1.00 0.00 C ATOM 241 OE1 GLU A 17 -17.033 -17.449 10.893 1.00 0.00 O ATOM 242 OE2 GLU A 17 -15.460 -18.901 11.392 1.00 0.00 O ATOM 0 H GLU A 17 -11.205 -14.979 10.539 1.00 0.00 H new ATOM 0 HA GLU A 17 -13.070 -15.305 9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.638 -16.432 11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.008 -15.376 11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.291 -16.462 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.029 -17.595 9.764 1.00 0.00 H new ATOM 249 N THR A 18 -14.279 -13.186 9.004 1.00 0.00 N ATOM 250 CA THR A 18 -14.946 -11.917 8.742 1.00 0.00 C ATOM 251 C THR A 18 -14.040 -10.744 9.102 1.00 0.00 C ATOM 252 O THR A 18 -13.155 -10.868 9.949 1.00 0.00 O ATOM 253 CB THR A 18 -16.251 -11.830 9.535 1.00 0.00 C ATOM 254 OG1 THR A 18 -16.776 -13.124 9.779 1.00 0.00 O ATOM 255 CG2 THR A 18 -17.325 -11.022 8.840 1.00 0.00 C ATOM 0 H THR A 18 -14.054 -13.725 8.168 1.00 0.00 H new ATOM 0 HA THR A 18 -15.172 -11.866 7.677 1.00 0.00 H new ATOM 0 HB THR A 18 -15.989 -11.327 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.610 -13.048 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.223 -11.002 9.458 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.970 -10.004 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.558 -11.478 7.877 1.00 0.00 H new ATOM 263 N ILE A 19 -14.267 -9.606 8.455 1.00 0.00 N ATOM 264 CA ILE A 19 -13.470 -8.412 8.707 1.00 0.00 C ATOM 265 C ILE A 19 -14.316 -7.150 8.578 1.00 0.00 C ATOM 266 O ILE A 19 -15.217 -7.079 7.743 1.00 0.00 O ATOM 267 CB ILE A 19 -12.277 -8.316 7.737 1.00 0.00 C ATOM 268 CG1 ILE A 19 -11.367 -7.151 8.128 1.00 0.00 C ATOM 269 CG2 ILE A 19 -12.770 -8.153 6.307 1.00 0.00 C ATOM 270 CD1 ILE A 19 -9.895 -7.443 7.934 1.00 0.00 C ATOM 0 H ILE A 19 -14.996 -9.486 7.752 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.094 -8.493 9.727 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.701 -9.239 7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.637 -6.276 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.544 -6.897 9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.916 -8.087 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.382 -9.012 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.365 -7.243 6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.309 -6.573 8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.610 -8.299 8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.704 -7.668 6.885 1.00 0.00 H new ATOM 282 N ARG A 20 -14.019 -6.158 9.411 1.00 0.00 N ATOM 283 CA ARG A 20 -14.750 -4.898 9.388 1.00 0.00 C ATOM 284 C ARG A 20 -14.011 -3.857 8.554 1.00 0.00 C ATOM 285 O ARG A 20 -14.518 -3.392 7.533 1.00 0.00 O ATOM 286 CB ARG A 20 -14.955 -4.377 10.812 1.00 0.00 C ATOM 287 CG ARG A 20 -15.854 -5.261 11.660 1.00 0.00 C ATOM 288 CD ARG A 20 -16.298 -4.553 12.929 1.00 0.00 C ATOM 289 NE ARG A 20 -16.425 -5.474 14.055 1.00 0.00 N ATOM 290 CZ ARG A 20 -15.387 -5.995 14.701 1.00 0.00 C ATOM 291 NH1 ARG A 20 -14.150 -5.686 14.332 1.00 0.00 N ATOM 292 NH2 ARG A 20 -15.583 -6.825 15.715 1.00 0.00 N ATOM 0 H ARG A 20 -13.277 -6.203 10.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.723 -5.079 8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.984 -4.286 11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.383 -3.376 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.730 -5.553 11.080 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.324 -6.177 11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.579 -3.772 13.179 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.255 -4.061 12.754 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.363 -5.732 14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.995 -5.048 13.552 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.354 -6.087 14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.532 -7.065 16.001 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.785 -7.224 16.209 1.00 0.00 H new ATOM 306 N GLY A 21 -12.807 -3.501 8.992 1.00 0.00 N ATOM 307 CA GLY A 21 -12.016 -2.521 8.270 1.00 0.00 C ATOM 308 C GLY A 21 -11.707 -2.959 6.852 1.00 0.00 C ATOM 309 O GLY A 21 -10.931 -3.890 6.637 1.00 0.00 O ATOM 0 H GLY A 21 -12.366 -3.873 9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.552 -1.572 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.083 -2.346 8.805 1.00 0.00 H new ATOM 313 N TYR A 22 -12.318 -2.287 5.881 1.00 0.00 N ATOM 314 CA TYR A 22 -12.105 -2.614 4.475 1.00 0.00 C ATOM 315 C TYR A 22 -10.626 -2.533 4.112 1.00 0.00 C ATOM 316 O TYR A 22 -9.989 -1.495 4.292 1.00 0.00 O ATOM 317 CB TYR A 22 -12.913 -1.671 3.583 1.00 0.00 C ATOM 318 CG TYR A 22 -14.185 -2.287 3.045 1.00 0.00 C ATOM 319 CD1 TYR A 22 -14.150 -3.455 2.294 1.00 0.00 C ATOM 320 CD2 TYR A 22 -15.421 -1.701 3.287 1.00 0.00 C ATOM 321 CE1 TYR A 22 -15.309 -4.022 1.801 1.00 0.00 C ATOM 322 CE2 TYR A 22 -16.585 -2.261 2.798 1.00 0.00 C ATOM 323 CZ TYR A 22 -16.524 -3.422 2.055 1.00 0.00 C ATOM 324 OH TYR A 22 -17.681 -3.984 1.566 1.00 0.00 O ATOM 0 H TYR A 22 -12.964 -1.514 6.042 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.443 -3.637 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.165 -0.775 4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -12.291 -1.354 2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -13.200 -3.928 2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -15.473 -0.792 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -15.264 -4.931 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -17.538 -1.793 2.996 1.00 0.00 H new ATOM 0 HH TYR A 22 -18.449 -3.438 1.835 1.00 0.00 H new ATOM 334 N MET A 23 -10.088 -3.634 3.599 1.00 0.00 N ATOM 335 CA MET A 23 -8.685 -3.687 3.206 1.00 0.00 C ATOM 336 C MET A 23 -8.532 -3.424 1.713 1.00 0.00 C ATOM 337 O MET A 23 -8.796 -4.300 0.888 1.00 0.00 O ATOM 338 CB MET A 23 -8.087 -5.052 3.556 1.00 0.00 C ATOM 339 CG MET A 23 -8.096 -5.356 5.045 1.00 0.00 C ATOM 340 SD MET A 23 -6.502 -5.949 5.643 1.00 0.00 S ATOM 341 CE MET A 23 -6.320 -4.978 7.137 1.00 0.00 C ATOM 0 H MET A 23 -10.602 -4.502 3.446 1.00 0.00 H new ATOM 0 HA MET A 23 -8.150 -2.911 3.753 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.644 -5.829 3.032 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.061 -5.094 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.374 -4.456 5.594 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.860 -6.105 5.254 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.378 -5.232 7.623 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.324 -3.918 6.885 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.147 -5.193 7.814 1.00 0.00 H new ATOM 351 N GLY A 24 -8.107 -2.213 1.369 1.00 0.00 N ATOM 352 CA GLY A 24 -7.935 -1.862 -0.027 1.00 0.00 C ATOM 353 C GLY A 24 -6.635 -1.130 -0.293 1.00 0.00 C ATOM 354 O GLY A 24 -6.581 -0.244 -1.145 1.00 0.00 O ATOM 0 H GLY A 24 -7.879 -1.471 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.966 -2.769 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.770 -1.238 -0.345 1.00 0.00 H new ATOM 358 N THR A 25 -5.570 -1.545 0.385 1.00 0.00 N ATOM 359 CA THR A 25 -4.278 -0.896 0.224 1.00 0.00 C ATOM 360 C THR A 25 -3.432 -1.557 -0.850 1.00 0.00 C ATOM 361 O THR A 25 -3.285 -2.782 -0.887 1.00 0.00 O ATOM 362 CB THR A 25 -3.502 -0.916 1.531 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.128 -0.719 1.283 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.643 -2.218 2.299 1.00 0.00 C ATOM 0 H THR A 25 -5.577 -2.322 1.046 1.00 0.00 H new ATOM 0 HA THR A 25 -4.484 0.131 -0.078 1.00 0.00 H new ATOM 0 HB THR A 25 -3.925 -0.113 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.668 -1.585 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.063 -2.162 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.693 -2.386 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.274 -3.042 1.688 1.00 0.00 H new ATOM 372 N SER A 26 -2.784 -0.715 -1.641 1.00 0.00 N ATOM 373 CA SER A 26 -1.915 -1.169 -2.710 1.00 0.00 C ATOM 374 C SER A 26 -0.481 -0.722 -2.481 1.00 0.00 C ATOM 375 O SER A 26 -0.218 0.471 -2.401 1.00 0.00 O ATOM 376 CB SER A 26 -2.391 -0.580 -4.032 1.00 0.00 C ATOM 377 OG SER A 26 -3.690 -1.037 -4.364 1.00 0.00 O ATOM 0 H SER A 26 -2.847 0.300 -1.558 1.00 0.00 H new ATOM 0 HA SER A 26 -1.950 -2.258 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.392 0.508 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.694 -0.852 -4.825 1.00 0.00 H new ATOM 0 HG SER A 26 -3.968 -0.641 -5.216 1.00 0.00 H new ATOM 383 N ALA A 27 0.447 -1.674 -2.452 1.00 0.00 N ATOM 384 CA ALA A 27 1.868 -1.357 -2.347 1.00 0.00 C ATOM 385 C ALA A 27 2.613 -2.031 -3.483 1.00 0.00 C ATOM 386 O ALA A 27 2.263 -3.129 -3.903 1.00 0.00 O ATOM 387 CB ALA A 27 2.456 -1.768 -0.998 1.00 0.00 C ATOM 0 H ALA A 27 0.241 -2.672 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 27 1.981 -0.275 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.515 -1.511 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.933 -1.243 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.340 -2.843 -0.863 1.00 0.00 H new ATOM 393 N THR A 28 3.586 -1.331 -4.025 1.00 0.00 N ATOM 394 CA THR A 28 4.343 -1.826 -5.157 1.00 0.00 C ATOM 395 C THR A 28 5.808 -1.978 -4.783 1.00 0.00 C ATOM 396 O THR A 28 6.393 -1.089 -4.173 1.00 0.00 O ATOM 397 CB THR A 28 4.166 -0.864 -6.337 1.00 0.00 C ATOM 398 OG1 THR A 28 2.887 -1.032 -6.924 1.00 0.00 O ATOM 399 CG2 THR A 28 5.195 -1.026 -7.434 1.00 0.00 C ATOM 0 H THR A 28 3.874 -0.409 -3.697 1.00 0.00 H new ATOM 0 HA THR A 28 3.974 -2.809 -5.448 1.00 0.00 H new ATOM 0 HB THR A 28 4.290 0.130 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.787 -0.410 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.996 -0.307 -8.229 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.191 -0.851 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.141 -2.037 -7.837 1.00 0.00 H new ATOM 407 N ILE A 29 6.381 -3.126 -5.116 1.00 0.00 N ATOM 408 CA ILE A 29 7.765 -3.410 -4.786 1.00 0.00 C ATOM 409 C ILE A 29 8.663 -3.269 -6.001 1.00 0.00 C ATOM 410 O ILE A 29 8.426 -3.878 -7.044 1.00 0.00 O ATOM 411 CB ILE A 29 7.924 -4.829 -4.216 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.778 -5.161 -3.261 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.254 -4.973 -3.501 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.487 -4.066 -2.257 1.00 0.00 C ATOM 0 H ILE A 29 5.904 -3.876 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 29 8.062 -2.682 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 29 7.897 -5.531 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.877 -5.357 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.018 -6.079 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.347 -5.984 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.067 -4.782 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.306 -4.256 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.662 -4.372 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.374 -3.885 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.215 -3.152 -2.784 1.00 0.00 H new ATOM 426 N THR A 30 9.706 -2.472 -5.846 1.00 0.00 N ATOM 427 CA THR A 30 10.673 -2.260 -6.911 1.00 0.00 C ATOM 428 C THR A 30 12.091 -2.374 -6.367 1.00 0.00 C ATOM 429 O THR A 30 12.620 -1.432 -5.776 1.00 0.00 O ATOM 430 CB THR A 30 10.463 -0.889 -7.553 1.00 0.00 C ATOM 431 OG1 THR A 30 11.635 -0.467 -8.229 1.00 0.00 O ATOM 432 CG2 THR A 30 10.093 0.189 -6.557 1.00 0.00 C ATOM 0 H THR A 30 9.906 -1.958 -4.988 1.00 0.00 H new ATOM 0 HA THR A 30 10.527 -3.028 -7.671 1.00 0.00 H new ATOM 0 HB THR A 30 9.632 -1.019 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.480 0.412 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.959 1.136 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.165 -0.083 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.889 0.291 -5.819 1.00 0.00 H new ATOM 440 N SER A 31 12.699 -3.538 -6.567 1.00 0.00 N ATOM 441 CA SER A 31 14.048 -3.787 -6.091 1.00 0.00 C ATOM 442 C SER A 31 15.005 -4.004 -7.257 1.00 0.00 C ATOM 443 O SER A 31 14.592 -4.400 -8.346 1.00 0.00 O ATOM 444 CB SER A 31 14.066 -5.006 -5.167 1.00 0.00 C ATOM 445 OG SER A 31 14.309 -6.197 -5.895 1.00 0.00 O ATOM 0 H SER A 31 12.274 -4.325 -7.058 1.00 0.00 H new ATOM 0 HA SER A 31 14.378 -2.911 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.836 -4.878 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.112 -5.084 -4.645 1.00 0.00 H new ATOM 0 HG SER A 31 14.317 -6.960 -5.280 1.00 0.00 H new ATOM 451 N GLY A 32 16.287 -3.758 -7.018 1.00 0.00 N ATOM 452 CA GLY A 32 17.281 -3.944 -8.057 1.00 0.00 C ATOM 453 C GLY A 32 17.285 -5.355 -8.615 1.00 0.00 C ATOM 454 O GLY A 32 17.803 -5.595 -9.705 1.00 0.00 O ATOM 0 H GLY A 32 16.656 -3.433 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.092 -3.238 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.268 -3.713 -7.656 1.00 0.00 H new ATOM 458 N GLU A 33 16.704 -6.290 -7.868 1.00 0.00 N ATOM 459 CA GLU A 33 16.652 -7.685 -8.293 1.00 0.00 C ATOM 460 C GLU A 33 15.441 -7.947 -9.183 1.00 0.00 C ATOM 461 O GLU A 33 15.582 -8.179 -10.384 1.00 0.00 O ATOM 462 CB GLU A 33 16.613 -8.610 -7.076 1.00 0.00 C ATOM 463 CG GLU A 33 17.709 -8.326 -6.062 1.00 0.00 C ATOM 464 CD GLU A 33 17.249 -8.531 -4.632 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.501 -9.500 -4.383 1.00 0.00 O ATOM 466 OE2 GLU A 33 17.638 -7.726 -3.761 1.00 0.00 O ATOM 0 H GLU A 33 16.263 -6.107 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 33 17.552 -7.891 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.643 -8.514 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.699 -9.643 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.561 -8.976 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.055 -7.300 -6.185 1.00 0.00 H new ATOM 473 N GLN A 34 14.252 -7.920 -8.587 1.00 0.00 N ATOM 474 CA GLN A 34 13.024 -8.173 -9.331 1.00 0.00 C ATOM 475 C GLN A 34 11.978 -7.096 -9.057 1.00 0.00 C ATOM 476 O GLN A 34 10.972 -7.349 -8.393 1.00 0.00 O ATOM 477 CB GLN A 34 12.461 -9.548 -8.968 1.00 0.00 C ATOM 478 CG GLN A 34 11.222 -9.930 -9.762 1.00 0.00 C ATOM 479 CD GLN A 34 10.556 -11.186 -9.234 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.931 -11.706 -8.184 1.00 0.00 O ATOM 481 NE2 GLN A 34 9.561 -11.679 -9.963 1.00 0.00 N ATOM 0 H GLN A 34 14.114 -7.726 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 34 13.266 -8.150 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.232 -10.301 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.220 -9.563 -7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.509 -9.106 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.496 -10.080 -10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.283 -11.214 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.075 -12.522 -9.658 1.00 0.00 H new ATOM 490 N SER A 35 12.211 -5.899 -9.587 1.00 0.00 N ATOM 491 CA SER A 35 11.277 -4.790 -9.414 1.00 0.00 C ATOM 492 C SER A 35 10.127 -4.895 -10.409 1.00 0.00 C ATOM 493 O SER A 35 10.339 -5.144 -11.596 1.00 0.00 O ATOM 494 CB SER A 35 11.996 -3.453 -9.600 1.00 0.00 C ATOM 495 OG SER A 35 12.620 -3.381 -10.870 1.00 0.00 O ATOM 0 H SER A 35 13.038 -5.672 -10.140 1.00 0.00 H new ATOM 0 HA SER A 35 10.874 -4.842 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.283 -2.635 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.743 -3.327 -8.817 1.00 0.00 H new ATOM 0 HG SER A 35 13.071 -2.516 -10.964 1.00 0.00 H new ATOM 501 N GLY A 36 8.907 -4.695 -9.920 1.00 0.00 N ATOM 502 CA GLY A 36 7.743 -4.771 -10.783 1.00 0.00 C ATOM 503 C GLY A 36 6.689 -5.722 -10.252 1.00 0.00 C ATOM 504 O GLY A 36 6.200 -6.586 -10.981 1.00 0.00 O ATOM 0 H GLY A 36 8.704 -4.482 -8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.309 -3.777 -10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.052 -5.094 -11.777 1.00 0.00 H new ATOM 508 N ALA A 37 6.341 -5.565 -8.981 1.00 0.00 N ATOM 509 CA ALA A 37 5.340 -6.417 -8.352 1.00 0.00 C ATOM 510 C ALA A 37 4.512 -5.635 -7.338 1.00 0.00 C ATOM 511 O ALA A 37 5.055 -4.992 -6.440 1.00 0.00 O ATOM 512 CB ALA A 37 6.006 -7.610 -7.684 1.00 0.00 C ATOM 0 H ALA A 37 6.737 -4.855 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 37 4.667 -6.779 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.246 -8.237 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.547 -8.190 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.703 -7.259 -6.923 1.00 0.00 H new ATOM 518 N VAL A 38 3.193 -5.712 -7.477 1.00 0.00 N ATOM 519 CA VAL A 38 2.286 -5.009 -6.579 1.00 0.00 C ATOM 520 C VAL A 38 1.734 -5.944 -5.508 1.00 0.00 C ATOM 521 O VAL A 38 1.121 -6.967 -5.815 1.00 0.00 O ATOM 522 CB VAL A 38 1.113 -4.374 -7.348 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.276 -5.445 -8.028 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.260 -3.528 -6.414 1.00 0.00 C ATOM 0 H VAL A 38 2.728 -6.255 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 38 2.866 -4.219 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 38 1.519 -3.722 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.548 -4.976 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.897 -6.002 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.123 -6.127 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.564 -3.087 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.138 -4.155 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.870 -2.735 -5.982 1.00 0.00 H new ATOM 534 N ILE A 39 1.960 -5.581 -4.251 1.00 0.00 N ATOM 535 CA ILE A 39 1.494 -6.374 -3.122 1.00 0.00 C ATOM 536 C ILE A 39 0.401 -5.648 -2.347 1.00 0.00 C ATOM 537 O ILE A 39 0.297 -4.423 -2.398 1.00 0.00 O ATOM 538 CB ILE A 39 2.643 -6.701 -2.155 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.205 -5.421 -1.543 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.736 -7.483 -2.866 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.689 -5.154 -0.150 1.00 0.00 C ATOM 0 H ILE A 39 2.467 -4.736 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 39 1.093 -7.299 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 39 2.250 -7.322 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.293 -5.486 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.953 -4.577 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.540 -7.705 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.324 -8.415 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.129 -6.890 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.126 -4.230 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.604 -5.058 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.964 -5.981 0.505 1.00 0.00 H new ATOM 553 N ARG A 40 -0.396 -6.415 -1.614 1.00 0.00 N ATOM 554 CA ARG A 40 -1.461 -5.852 -0.794 1.00 0.00 C ATOM 555 C ARG A 40 -1.014 -5.786 0.664 1.00 0.00 C ATOM 556 O ARG A 40 -0.462 -6.750 1.195 1.00 0.00 O ATOM 557 CB ARG A 40 -2.734 -6.698 -0.928 1.00 0.00 C ATOM 558 CG ARG A 40 -3.786 -6.416 0.136 1.00 0.00 C ATOM 559 CD ARG A 40 -5.191 -6.513 -0.433 1.00 0.00 C ATOM 560 NE ARG A 40 -5.480 -7.848 -0.947 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.639 -8.193 -1.496 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.615 -7.302 -1.605 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.823 -9.429 -1.940 1.00 0.00 N ATOM 0 H ARG A 40 -0.325 -7.432 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.680 -4.841 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.171 -6.523 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.462 -7.753 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.675 -7.125 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.628 -5.421 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.914 -6.258 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.310 -5.783 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.750 -8.557 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.476 -6.350 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.504 -7.569 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.074 -10.116 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.714 -9.692 -2.361 1.00 0.00 H new ATOM 577 N GLY A 41 -1.240 -4.644 1.303 1.00 0.00 N ATOM 578 CA GLY A 41 -0.839 -4.493 2.692 1.00 0.00 C ATOM 579 C GLY A 41 -0.655 -3.046 3.095 1.00 0.00 C ATOM 580 O GLY A 41 -0.455 -2.180 2.244 1.00 0.00 O ATOM 0 H GLY A 41 -1.689 -3.826 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.591 -4.952 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.093 -5.033 2.857 1.00 0.00 H new ATOM 584 N VAL A 42 -0.722 -2.777 4.398 1.00 0.00 N ATOM 585 CA VAL A 42 -0.597 -1.412 4.894 1.00 0.00 C ATOM 586 C VAL A 42 0.444 -1.303 6.011 1.00 0.00 C ATOM 587 O VAL A 42 0.857 -2.293 6.611 1.00 0.00 O ATOM 588 CB VAL A 42 -1.985 -0.862 5.354 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.919 0.024 6.603 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.621 -0.089 4.213 1.00 0.00 C ATOM 0 H VAL A 42 -0.861 -3.482 5.122 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.242 -0.793 4.070 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.589 -1.728 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.921 0.367 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.508 -0.549 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.281 0.885 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.590 0.296 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.974 0.742 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.756 -0.750 3.357 1.00 0.00 H new ATOM 600 N PHE A 43 0.782 -0.058 6.313 1.00 0.00 N ATOM 601 CA PHE A 43 1.735 0.285 7.349 1.00 0.00 C ATOM 602 C PHE A 43 1.039 0.451 8.698 1.00 0.00 C ATOM 603 O PHE A 43 0.143 1.282 8.846 1.00 0.00 O ATOM 604 CB PHE A 43 2.394 1.595 6.940 1.00 0.00 C ATOM 605 CG PHE A 43 3.284 2.215 7.977 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.739 2.813 9.102 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.656 2.269 7.791 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.550 3.415 10.045 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.472 2.870 8.730 1.00 0.00 C ATOM 610 CZ PHE A 43 4.918 3.447 9.857 1.00 0.00 C ATOM 0 H PHE A 43 0.393 0.754 5.834 1.00 0.00 H new ATOM 0 HA PHE A 43 2.473 -0.509 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.981 1.422 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.613 2.310 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.668 2.808 9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.092 1.837 6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.115 3.860 10.928 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.542 2.889 8.583 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.554 3.922 10.590 1.00 0.00 H new ATOM 620 N ASP A 44 1.449 -0.350 9.675 1.00 0.00 N ATOM 621 CA ASP A 44 0.863 -0.291 11.010 1.00 0.00 C ATOM 622 C ASP A 44 1.826 0.361 11.996 1.00 0.00 C ATOM 623 O ASP A 44 3.025 0.084 11.983 1.00 0.00 O ATOM 624 CB ASP A 44 0.497 -1.697 11.494 1.00 0.00 C ATOM 625 CG ASP A 44 -0.069 -2.564 10.387 1.00 0.00 C ATOM 626 OD1 ASP A 44 0.729 -3.178 9.649 1.00 0.00 O ATOM 627 OD2 ASP A 44 -1.309 -2.630 10.260 1.00 0.00 O ATOM 0 H ASP A 44 2.185 -1.048 9.568 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.042 0.314 10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.383 -2.177 11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.232 -1.622 12.301 1.00 0.00 H new ATOM 632 N ASP A 45 1.295 1.232 12.848 1.00 0.00 N ATOM 633 CA ASP A 45 2.112 1.925 13.835 1.00 0.00 C ATOM 634 C ASP A 45 1.572 1.708 15.249 1.00 0.00 C ATOM 635 O ASP A 45 0.547 2.279 15.621 1.00 0.00 O ATOM 636 CB ASP A 45 2.152 3.423 13.523 1.00 0.00 C ATOM 637 CG ASP A 45 3.500 4.043 13.833 1.00 0.00 C ATOM 638 OD1 ASP A 45 4.374 3.328 14.366 1.00 0.00 O ATOM 639 OD2 ASP A 45 3.682 5.244 13.542 1.00 0.00 O ATOM 0 H ASP A 45 0.304 1.474 12.874 1.00 0.00 H new ATOM 0 HA ASP A 45 3.121 1.515 13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.918 3.578 12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.380 3.932 14.100 1.00 0.00 H new ATOM 644 N PRO A 46 2.263 0.892 16.066 1.00 0.00 N ATOM 645 CA PRO A 46 1.845 0.621 17.445 1.00 0.00 C ATOM 646 C PRO A 46 1.832 1.888 18.295 1.00 0.00 C ATOM 647 O PRO A 46 0.879 2.148 19.029 1.00 0.00 O ATOM 648 CB PRO A 46 2.902 -0.360 17.968 1.00 0.00 C ATOM 649 CG PRO A 46 3.556 -0.917 16.748 1.00 0.00 C ATOM 650 CD PRO A 46 3.498 0.172 15.716 1.00 0.00 C ATOM 0 HA PRO A 46 0.830 0.226 17.490 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.626 0.145 18.607 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.446 -1.149 18.565 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.587 -1.205 16.954 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.039 -1.812 16.401 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.372 0.822 15.765 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.457 -0.232 14.704 1.00 0.00 H new ATOM 658 N GLU A 47 2.897 2.676 18.183 1.00 0.00 N ATOM 659 CA GLU A 47 3.010 3.924 18.925 1.00 0.00 C ATOM 660 C GLU A 47 2.825 5.119 17.995 1.00 0.00 C ATOM 661 O GLU A 47 3.622 6.057 17.999 1.00 0.00 O ATOM 662 CB GLU A 47 4.368 4.000 19.623 1.00 0.00 C ATOM 663 CG GLU A 47 4.311 3.667 21.105 1.00 0.00 C ATOM 664 CD GLU A 47 5.350 4.419 21.913 1.00 0.00 C ATOM 665 OE1 GLU A 47 6.334 4.902 21.312 1.00 0.00 O ATOM 666 OE2 GLU A 47 5.180 4.526 23.146 1.00 0.00 O ATOM 0 H GLU A 47 3.696 2.470 17.583 1.00 0.00 H new ATOM 0 HA GLU A 47 2.224 3.951 19.680 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.058 3.314 19.132 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.774 5.004 19.500 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.318 3.902 21.488 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.458 2.595 21.239 1.00 0.00 H new ATOM 673 N ASN A 48 1.762 5.076 17.195 1.00 0.00 N ATOM 674 CA ASN A 48 1.468 6.144 16.245 1.00 0.00 C ATOM 675 C ASN A 48 1.604 7.520 16.893 1.00 0.00 C ATOM 676 O ASN A 48 0.944 7.818 17.889 1.00 0.00 O ATOM 677 CB ASN A 48 0.055 5.976 15.679 1.00 0.00 C ATOM 678 CG ASN A 48 -0.263 6.993 14.602 1.00 0.00 C ATOM 679 OD1 ASN A 48 -0.953 7.983 14.850 1.00 0.00 O ATOM 680 ND2 ASN A 48 0.239 6.755 13.396 1.00 0.00 N ATOM 0 H ASN A 48 1.089 4.310 17.187 1.00 0.00 H new ATOM 0 HA ASN A 48 2.194 6.076 15.435 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.052 4.972 15.269 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.670 6.069 16.487 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.058 7.405 12.631 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.806 5.922 13.235 1.00 0.00 H new ATOM 687 N ILE A 49 2.467 8.352 16.319 1.00 0.00 N ATOM 688 CA ILE A 49 2.695 9.697 16.837 1.00 0.00 C ATOM 689 C ILE A 49 2.001 10.742 15.970 1.00 0.00 C ATOM 690 O ILE A 49 2.419 11.899 15.921 1.00 0.00 O ATOM 691 CB ILE A 49 4.198 10.024 16.908 1.00 0.00 C ATOM 692 CG1 ILE A 49 4.841 9.869 15.528 1.00 0.00 C ATOM 693 CG2 ILE A 49 4.888 9.125 17.922 1.00 0.00 C ATOM 694 CD1 ILE A 49 5.723 11.034 15.137 1.00 0.00 C ATOM 0 H ILE A 49 3.020 8.119 15.495 1.00 0.00 H new ATOM 0 HA ILE A 49 2.277 9.725 17.843 1.00 0.00 H new ATOM 0 HB ILE A 49 4.315 11.059 17.229 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.434 8.954 15.513 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.056 9.752 14.781 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.950 9.368 17.961 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.444 9.279 18.906 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.765 8.083 17.627 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.145 10.855 14.148 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.131 11.949 15.119 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.530 11.139 15.862 1.00 0.00 H new ATOM 706 N SER A 50 0.940 10.326 15.287 1.00 0.00 N ATOM 707 CA SER A 50 0.188 11.227 14.420 1.00 0.00 C ATOM 708 C SER A 50 -1.198 11.504 14.994 1.00 0.00 C ATOM 709 O SER A 50 -2.139 11.788 14.254 1.00 0.00 O ATOM 710 CB SER A 50 0.060 10.630 13.017 1.00 0.00 C ATOM 711 OG SER A 50 1.316 10.183 12.536 1.00 0.00 O ATOM 0 H SER A 50 0.581 9.372 15.317 1.00 0.00 H new ATOM 0 HA SER A 50 0.732 12.170 14.359 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.643 9.797 13.036 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.349 11.377 12.336 1.00 0.00 H new ATOM 0 HG SER A 50 1.207 9.804 11.639 1.00 0.00 H new ATOM 717 N TYR A 51 -1.315 11.418 16.314 1.00 0.00 N ATOM 718 CA TYR A 51 -2.587 11.659 16.985 1.00 0.00 C ATOM 719 C TYR A 51 -2.466 12.797 17.992 1.00 0.00 C ATOM 720 O TYR A 51 -1.371 13.292 18.256 1.00 0.00 O ATOM 721 CB TYR A 51 -3.063 10.388 17.690 1.00 0.00 C ATOM 722 CG TYR A 51 -4.061 9.585 16.885 1.00 0.00 C ATOM 723 CD1 TYR A 51 -3.798 9.237 15.566 1.00 0.00 C ATOM 724 CD2 TYR A 51 -5.265 9.177 17.444 1.00 0.00 C ATOM 725 CE1 TYR A 51 -4.708 8.504 14.828 1.00 0.00 C ATOM 726 CE2 TYR A 51 -6.179 8.444 16.712 1.00 0.00 C ATOM 727 CZ TYR A 51 -5.897 8.110 15.404 1.00 0.00 C ATOM 728 OH TYR A 51 -6.804 7.381 14.673 1.00 0.00 O ATOM 0 H TYR A 51 -0.545 11.183 16.941 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.319 11.944 16.229 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.200 9.761 17.912 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.514 10.659 18.645 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.868 9.544 15.110 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.490 9.437 18.468 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.489 8.241 13.804 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.110 8.134 17.162 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.588 7.184 15.227 1.00 0.00 H new ATOM 738 N ALA A 52 -3.599 13.207 18.552 1.00 0.00 N ATOM 739 CA ALA A 52 -3.621 14.289 19.529 1.00 0.00 C ATOM 740 C ALA A 52 -3.304 13.773 20.928 1.00 0.00 C ATOM 741 O ALA A 52 -4.192 13.310 21.645 1.00 0.00 O ATOM 742 CB ALA A 52 -4.973 14.986 19.515 1.00 0.00 C ATOM 0 H ALA A 52 -4.514 12.806 18.346 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.851 15.009 19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.975 15.791 20.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.159 15.399 18.523 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.755 14.268 19.762 1.00 0.00 H new ATOM 748 N GLY A 53 -2.035 13.856 21.311 1.00 0.00 N ATOM 749 CA GLY A 53 -1.624 13.396 22.625 1.00 0.00 C ATOM 750 C GLY A 53 -1.341 11.907 22.655 1.00 0.00 C ATOM 751 O GLY A 53 -2.197 11.113 23.042 1.00 0.00 O ATOM 0 H GLY A 53 -1.283 14.234 20.735 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.731 13.939 22.934 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.405 13.629 23.349 1.00 0.00 H new ATOM 755 N GLN A 54 -0.134 11.528 22.247 1.00 0.00 N ATOM 756 CA GLN A 54 0.260 10.124 22.230 1.00 0.00 C ATOM 757 C GLN A 54 0.717 9.670 23.612 1.00 0.00 C ATOM 758 O GLN A 54 1.881 9.317 23.806 1.00 0.00 O ATOM 759 CB GLN A 54 1.379 9.902 21.211 1.00 0.00 C ATOM 760 CG GLN A 54 1.801 8.447 21.080 1.00 0.00 C ATOM 761 CD GLN A 54 3.263 8.231 21.417 1.00 0.00 C ATOM 762 OE1 GLN A 54 3.936 9.130 21.921 1.00 0.00 O ATOM 763 NE2 GLN A 54 3.764 7.033 21.137 1.00 0.00 N ATOM 0 H GLN A 54 0.587 12.173 21.924 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.608 9.531 21.943 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.050 10.266 20.237 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.245 10.499 21.498 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.186 7.834 21.738 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.613 8.108 20.061 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.170 6.317 20.719 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.743 6.829 21.340 1.00 0.00 H new ATOM 772 N GLY A 55 -0.204 9.683 24.568 1.00 0.00 N ATOM 773 CA GLY A 55 0.125 9.273 25.921 1.00 0.00 C ATOM 774 C GLY A 55 -0.258 7.832 26.201 1.00 0.00 C ATOM 775 O GLY A 55 -0.939 7.545 27.185 1.00 0.00 O ATOM 0 H GLY A 55 -1.173 9.970 24.431 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.195 9.400 26.085 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.386 9.925 26.629 1.00 0.00 H new ATOM 779 N VAL A 56 0.180 6.927 25.333 1.00 0.00 N ATOM 780 CA VAL A 56 -0.118 5.509 25.492 1.00 0.00 C ATOM 781 C VAL A 56 1.084 4.649 25.112 1.00 0.00 C ATOM 782 O VAL A 56 1.744 4.898 24.104 1.00 0.00 O ATOM 783 CB VAL A 56 -1.328 5.086 24.639 1.00 0.00 C ATOM 784 CG1 VAL A 56 -1.070 5.368 23.167 1.00 0.00 C ATOM 785 CG2 VAL A 56 -1.650 3.617 24.860 1.00 0.00 C ATOM 0 H VAL A 56 0.743 7.150 24.512 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.356 5.354 26.544 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.191 5.674 24.951 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.936 5.062 22.581 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.895 6.435 23.026 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.194 4.810 22.838 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.508 3.337 24.249 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.790 3.010 24.578 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.884 3.450 25.911 1.00 0.00 H new ATOM 795 N ARG A 57 1.362 3.636 25.926 1.00 0.00 N ATOM 796 CA ARG A 57 2.485 2.740 25.677 1.00 0.00 C ATOM 797 C ARG A 57 2.027 1.285 25.645 1.00 0.00 C ATOM 798 O ARG A 57 1.691 0.706 26.678 1.00 0.00 O ATOM 799 CB ARG A 57 3.558 2.924 26.753 1.00 0.00 C ATOM 800 CG ARG A 57 2.991 3.214 28.133 1.00 0.00 C ATOM 801 CD ARG A 57 3.879 2.650 29.230 1.00 0.00 C ATOM 802 NE ARG A 57 4.531 3.705 30.001 1.00 0.00 N ATOM 803 CZ ARG A 57 5.600 4.373 29.576 1.00 0.00 C ATOM 804 NH1 ARG A 57 6.132 4.092 28.395 1.00 0.00 N ATOM 805 NH2 ARG A 57 6.136 5.319 30.332 1.00 0.00 N ATOM 0 H ARG A 57 0.825 3.415 26.764 1.00 0.00 H new ATOM 0 HA ARG A 57 2.907 2.990 24.703 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.170 2.023 26.802 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.217 3.741 26.461 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.887 4.291 28.266 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.993 2.784 28.215 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.281 2.030 29.898 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.637 2.003 28.787 1.00 0.00 H new ATOM 0 HE ARG A 57 4.146 3.943 30.915 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.722 3.363 27.811 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.952 4.605 28.070 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.729 5.536 31.242 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.956 5.830 30.005 1.00 0.00 H new ATOM 819 N VAL A 58 2.019 0.702 24.452 1.00 0.00 N ATOM 820 CA VAL A 58 1.600 -0.684 24.282 1.00 0.00 C ATOM 821 C VAL A 58 2.802 -1.595 24.045 1.00 0.00 C ATOM 822 O VAL A 58 2.693 -2.626 23.381 1.00 0.00 O ATOM 823 CB VAL A 58 0.614 -0.831 23.112 1.00 0.00 C ATOM 824 CG1 VAL A 58 1.274 -0.434 21.800 1.00 0.00 C ATOM 825 CG2 VAL A 58 0.070 -2.250 23.039 1.00 0.00 C ATOM 0 H VAL A 58 2.298 1.167 23.588 1.00 0.00 H new ATOM 0 HA VAL A 58 1.101 -0.982 25.204 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.225 -0.158 23.286 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.559 -0.545 20.985 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.601 0.604 21.857 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.136 -1.076 21.617 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.626 -2.330 22.204 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.894 -2.949 22.894 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.449 -2.489 23.967 1.00 0.00 H new ATOM 835 N GLU A 59 3.948 -1.207 24.594 1.00 0.00 N ATOM 836 CA GLU A 59 5.172 -1.987 24.443 1.00 0.00 C ATOM 837 C GLU A 59 5.649 -1.978 22.994 1.00 0.00 C ATOM 838 O GLU A 59 6.353 -2.888 22.557 1.00 0.00 O ATOM 839 CB GLU A 59 4.946 -3.427 24.907 1.00 0.00 C ATOM 840 CG GLU A 59 4.314 -3.532 26.284 1.00 0.00 C ATOM 841 CD GLU A 59 3.370 -4.713 26.406 1.00 0.00 C ATOM 842 OE1 GLU A 59 3.398 -5.588 25.515 1.00 0.00 O ATOM 843 OE2 GLU A 59 2.605 -4.763 27.392 1.00 0.00 O ATOM 0 H GLU A 59 4.055 -0.357 25.148 1.00 0.00 H new ATOM 0 HA GLU A 59 5.942 -1.529 25.064 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.308 -3.936 24.184 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.902 -3.951 24.914 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.100 -3.621 27.034 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.769 -2.613 26.500 1.00 0.00 H new ATOM 850 N GLY A 60 5.263 -0.944 22.254 1.00 0.00 N ATOM 851 CA GLY A 60 5.665 -0.835 20.864 1.00 0.00 C ATOM 852 C GLY A 60 6.733 0.220 20.652 1.00 0.00 C ATOM 853 O GLY A 60 6.851 1.157 21.440 1.00 0.00 O ATOM 0 H GLY A 60 4.679 -0.179 22.592 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.038 -1.800 20.520 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.794 -0.594 20.255 1.00 0.00 H new ATOM 857 N SER A 61 7.513 0.065 19.588 1.00 0.00 N ATOM 858 CA SER A 61 8.579 1.012 19.279 1.00 0.00 C ATOM 859 C SER A 61 8.957 0.948 17.803 1.00 0.00 C ATOM 860 O SER A 61 10.118 1.139 17.441 1.00 0.00 O ATOM 861 CB SER A 61 9.808 0.726 20.144 1.00 0.00 C ATOM 862 OG SER A 61 10.490 -0.432 19.696 1.00 0.00 O ATOM 0 H SER A 61 7.428 -0.706 18.926 1.00 0.00 H new ATOM 0 HA SER A 61 8.213 2.015 19.497 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.482 1.582 20.117 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.503 0.593 21.182 1.00 0.00 H new ATOM 0 HG SER A 61 11.272 -0.591 20.265 1.00 0.00 H new ATOM 868 N SER A 62 7.969 0.680 16.954 1.00 0.00 N ATOM 869 CA SER A 62 8.201 0.595 15.518 1.00 0.00 C ATOM 870 C SER A 62 6.949 0.129 14.782 1.00 0.00 C ATOM 871 O SER A 62 6.125 -0.599 15.337 1.00 0.00 O ATOM 872 CB SER A 62 9.355 -0.361 15.219 1.00 0.00 C ATOM 873 OG SER A 62 10.553 0.349 14.955 1.00 0.00 O ATOM 0 H SER A 62 7.002 0.518 17.236 1.00 0.00 H new ATOM 0 HA SER A 62 8.458 1.594 15.166 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.505 -1.030 16.066 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.102 -0.984 14.361 1.00 0.00 H new ATOM 0 HG SER A 62 10.813 0.858 15.751 1.00 0.00 H new ATOM 879 N PRO A 63 6.824 0.496 13.495 1.00 0.00 N ATOM 880 CA PRO A 63 5.680 0.139 12.672 1.00 0.00 C ATOM 881 C PRO A 63 5.960 -1.060 11.774 1.00 0.00 C ATOM 882 O PRO A 63 7.103 -1.299 11.385 1.00 0.00 O ATOM 883 CB PRO A 63 5.508 1.395 11.837 1.00 0.00 C ATOM 884 CG PRO A 63 6.908 1.852 11.585 1.00 0.00 C ATOM 885 CD PRO A 63 7.743 1.372 12.754 1.00 0.00 C ATOM 0 HA PRO A 63 4.807 -0.152 13.256 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.982 1.187 10.905 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.930 2.152 12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.285 1.444 10.647 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.951 2.938 11.500 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.629 0.833 12.420 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.088 2.203 13.369 1.00 0.00 H new ATOM 893 N SER A 64 4.918 -1.819 11.457 1.00 0.00 N ATOM 894 CA SER A 64 5.070 -2.994 10.609 1.00 0.00 C ATOM 895 C SER A 64 4.054 -2.994 9.475 1.00 0.00 C ATOM 896 O SER A 64 3.081 -2.246 9.498 1.00 0.00 O ATOM 897 CB SER A 64 4.944 -4.274 11.435 1.00 0.00 C ATOM 898 OG SER A 64 4.440 -3.997 12.731 1.00 0.00 O ATOM 0 H SER A 64 3.964 -1.643 11.772 1.00 0.00 H new ATOM 0 HA SER A 64 6.066 -2.958 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.283 -4.975 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.918 -4.756 11.516 1.00 0.00 H new ATOM 0 HG SER A 64 4.367 -4.832 13.239 1.00 0.00 H new ATOM 904 N LEU A 65 4.300 -3.834 8.474 1.00 0.00 N ATOM 905 CA LEU A 65 3.437 -3.912 7.302 1.00 0.00 C ATOM 906 C LEU A 65 2.750 -5.275 7.268 1.00 0.00 C ATOM 907 O LEU A 65 3.316 -6.280 7.701 1.00 0.00 O ATOM 908 CB LEU A 65 4.234 -3.663 6.007 1.00 0.00 C ATOM 909 CG LEU A 65 3.711 -4.366 4.742 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.313 -3.873 4.400 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.653 -4.138 3.571 1.00 0.00 C ATOM 0 H LEU A 65 5.095 -4.473 8.452 1.00 0.00 H new ATOM 0 HA LEU A 65 2.678 -3.132 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.255 -2.590 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.264 -3.978 6.173 1.00 0.00 H new ATOM 0 HG LEU A 65 3.664 -5.437 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.958 -4.380 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.639 -4.087 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.340 -2.798 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.264 -4.644 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.734 -3.069 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.638 -4.537 3.813 1.00 0.00 H new ATOM 923 N PHE A 66 1.488 -5.272 6.876 1.00 0.00 N ATOM 924 CA PHE A 66 0.696 -6.489 6.823 1.00 0.00 C ATOM 925 C PHE A 66 0.449 -6.896 5.384 1.00 0.00 C ATOM 926 O PHE A 66 -0.250 -6.208 4.643 1.00 0.00 O ATOM 927 CB PHE A 66 -0.636 -6.280 7.546 1.00 0.00 C ATOM 928 CG PHE A 66 -0.578 -6.559 9.024 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.614 -6.440 9.725 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.719 -6.939 9.715 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.667 -6.698 11.082 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.672 -7.197 11.073 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.478 -7.076 11.756 1.00 0.00 C ATOM 0 H PHE A 66 0.986 -4.432 6.587 1.00 0.00 H new ATOM 0 HA PHE A 66 1.248 -7.286 7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.964 -5.252 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.389 -6.925 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.512 -6.142 9.204 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.656 -7.035 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.602 -6.604 11.614 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.568 -7.493 11.599 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.439 -7.277 12.816 1.00 0.00 H new ATOM 943 N VAL A 67 1.029 -8.017 4.993 1.00 0.00 N ATOM 944 CA VAL A 67 0.900 -8.501 3.632 1.00 0.00 C ATOM 945 C VAL A 67 -0.178 -9.571 3.529 1.00 0.00 C ATOM 946 O VAL A 67 -0.441 -10.298 4.489 1.00 0.00 O ATOM 947 CB VAL A 67 2.242 -9.048 3.129 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.651 -10.287 3.916 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.180 -9.343 1.637 1.00 0.00 C ATOM 0 H VAL A 67 1.595 -8.609 5.601 1.00 0.00 H new ATOM 0 HA VAL A 67 0.604 -7.661 3.004 1.00 0.00 H new ATOM 0 HB VAL A 67 3.003 -8.284 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.605 -10.657 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.749 -10.032 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.891 -11.060 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.143 -9.730 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.404 -10.084 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.949 -8.426 1.094 1.00 0.00 H new ATOM 959 N ARG A 68 -0.822 -9.645 2.371 1.00 0.00 N ATOM 960 CA ARG A 68 -1.910 -10.591 2.166 1.00 0.00 C ATOM 961 C ARG A 68 -1.428 -11.871 1.485 1.00 0.00 C ATOM 962 O ARG A 68 -2.218 -12.589 0.873 1.00 0.00 O ATOM 963 CB ARG A 68 -3.021 -9.940 1.340 1.00 0.00 C ATOM 964 CG ARG A 68 -4.046 -9.197 2.183 1.00 0.00 C ATOM 965 CD ARG A 68 -4.863 -10.145 3.044 1.00 0.00 C ATOM 966 NE ARG A 68 -5.899 -10.831 2.277 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.860 -11.563 2.829 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.915 -11.702 4.147 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.766 -12.157 2.065 1.00 0.00 N ATOM 0 H ARG A 68 -0.610 -9.062 1.561 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.300 -10.866 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.575 -9.245 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.529 -10.709 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.537 -8.474 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.713 -8.633 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.201 -10.882 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.325 -9.587 3.858 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.884 -10.743 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.219 -11.247 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.653 -12.264 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.726 -12.052 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.503 -12.719 2.491 1.00 0.00 H new ATOM 983 N THR A 69 -0.138 -12.169 1.617 1.00 0.00 N ATOM 984 CA THR A 69 0.425 -13.381 1.031 1.00 0.00 C ATOM 985 C THR A 69 1.797 -13.705 1.655 1.00 0.00 C ATOM 986 O THR A 69 1.866 -14.055 2.832 1.00 0.00 O ATOM 987 CB THR A 69 0.507 -13.242 -0.494 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.759 -12.909 -1.037 1.00 0.00 O ATOM 989 CG2 THR A 69 0.987 -14.500 -1.183 1.00 0.00 C ATOM 0 H THR A 69 0.534 -11.591 2.122 1.00 0.00 H new ATOM 0 HA THR A 69 -0.233 -14.221 1.253 1.00 0.00 H new ATOM 0 HB THR A 69 1.233 -12.449 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.466 -13.238 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.022 -14.334 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.984 -14.755 -0.822 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.302 -15.319 -0.964 1.00 0.00 H new ATOM 997 N ASP A 70 2.882 -13.594 0.880 1.00 0.00 N ATOM 998 CA ASP A 70 4.220 -13.892 1.387 1.00 0.00 C ATOM 999 C ASP A 70 5.292 -13.272 0.494 1.00 0.00 C ATOM 1000 O ASP A 70 6.417 -13.767 0.426 1.00 0.00 O ATOM 1001 CB ASP A 70 4.432 -15.404 1.467 1.00 0.00 C ATOM 1002 CG ASP A 70 3.617 -16.050 2.570 1.00 0.00 C ATOM 1003 OD1 ASP A 70 2.450 -16.413 2.311 1.00 0.00 O ATOM 1004 OD2 ASP A 70 4.145 -16.193 3.693 1.00 0.00 O ATOM 0 H ASP A 70 2.857 -13.301 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 70 4.305 -13.462 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.165 -15.855 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.489 -15.611 1.633 1.00 0.00 H new ATOM 1009 N GLU A 71 4.933 -12.194 -0.196 1.00 0.00 N ATOM 1010 CA GLU A 71 5.862 -11.507 -1.078 1.00 0.00 C ATOM 1011 C GLU A 71 6.764 -10.576 -0.282 1.00 0.00 C ATOM 1012 O GLU A 71 7.974 -10.528 -0.505 1.00 0.00 O ATOM 1013 CB GLU A 71 5.100 -10.718 -2.144 1.00 0.00 C ATOM 1014 CG GLU A 71 4.706 -11.555 -3.349 1.00 0.00 C ATOM 1015 CD GLU A 71 3.800 -10.809 -4.308 1.00 0.00 C ATOM 1016 OE1 GLU A 71 2.912 -10.070 -3.832 1.00 0.00 O ATOM 1017 OE2 GLU A 71 3.977 -10.963 -5.535 1.00 0.00 O ATOM 0 H GLU A 71 4.002 -11.779 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 71 6.483 -12.254 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.201 -10.293 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.716 -9.883 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.606 -11.871 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.202 -12.460 -3.009 1.00 0.00 H new ATOM 1024 N VAL A 72 6.171 -9.851 0.658 1.00 0.00 N ATOM 1025 CA VAL A 72 6.933 -8.946 1.503 1.00 0.00 C ATOM 1026 C VAL A 72 8.078 -9.689 2.174 1.00 0.00 C ATOM 1027 O VAL A 72 9.185 -9.166 2.303 1.00 0.00 O ATOM 1028 CB VAL A 72 6.055 -8.297 2.575 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.024 -7.386 1.931 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.392 -9.364 3.427 1.00 0.00 C ATOM 0 H VAL A 72 5.170 -9.873 0.852 1.00 0.00 H new ATOM 0 HA VAL A 72 7.328 -8.159 0.861 1.00 0.00 H new ATOM 0 HB VAL A 72 6.681 -7.687 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.406 -6.931 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.532 -6.604 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.393 -7.968 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.770 -8.889 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.772 -10.000 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.157 -9.970 3.912 1.00 0.00 H new ATOM 1040 N ARG A 73 7.812 -10.932 2.568 1.00 0.00 N ATOM 1041 CA ARG A 73 8.832 -11.777 3.173 1.00 0.00 C ATOM 1042 C ARG A 73 10.061 -11.828 2.276 1.00 0.00 C ATOM 1043 O ARG A 73 11.198 -11.847 2.748 1.00 0.00 O ATOM 1044 CB ARG A 73 8.284 -13.188 3.387 1.00 0.00 C ATOM 1045 CG ARG A 73 8.901 -13.908 4.570 1.00 0.00 C ATOM 1046 CD ARG A 73 10.386 -14.157 4.357 1.00 0.00 C ATOM 1047 NE ARG A 73 10.761 -15.534 4.666 1.00 0.00 N ATOM 1048 CZ ARG A 73 11.873 -16.112 4.221 1.00 0.00 C ATOM 1049 NH1 ARG A 73 12.712 -15.434 3.450 1.00 0.00 N ATOM 1050 NH2 ARG A 73 12.145 -17.369 4.546 1.00 0.00 N ATOM 0 H ARG A 73 6.897 -11.374 2.478 1.00 0.00 H new ATOM 0 HA ARG A 73 9.113 -11.357 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.205 -13.131 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.456 -13.776 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.756 -13.316 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.390 -14.858 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.646 -13.934 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.961 -13.476 4.984 1.00 0.00 H new ATOM 0 HE ARG A 73 10.135 -16.083 5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.505 -14.468 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.564 -15.879 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.501 -17.894 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.998 -17.811 4.204 1.00 0.00 H new ATOM 1064 N GLN A 74 9.810 -11.833 0.972 1.00 0.00 N ATOM 1065 CA GLN A 74 10.872 -11.844 -0.024 1.00 0.00 C ATOM 1066 C GLN A 74 11.475 -10.453 -0.173 1.00 0.00 C ATOM 1067 O GLN A 74 12.634 -10.304 -0.559 1.00 0.00 O ATOM 1068 CB GLN A 74 10.315 -12.324 -1.366 1.00 0.00 C ATOM 1069 CG GLN A 74 9.274 -13.425 -1.233 1.00 0.00 C ATOM 1070 CD GLN A 74 9.298 -14.396 -2.397 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.148 -14.000 -3.552 1.00 0.00 O ATOM 1072 NE2 GLN A 74 9.486 -15.675 -2.095 1.00 0.00 N ATOM 0 H GLN A 74 8.869 -11.830 0.578 1.00 0.00 H new ATOM 0 HA GLN A 74 11.656 -12.527 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.872 -11.477 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.138 -12.685 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.445 -13.971 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.283 -12.976 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.606 -15.957 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.511 -16.376 -2.836 1.00 0.00 H new ATOM 1081 N LEU A 75 10.679 -9.440 0.154 1.00 0.00 N ATOM 1082 CA LEU A 75 11.117 -8.056 0.097 1.00 0.00 C ATOM 1083 C LEU A 75 12.190 -7.787 1.148 1.00 0.00 C ATOM 1084 O LEU A 75 11.987 -7.003 2.074 1.00 0.00 O ATOM 1085 CB LEU A 75 9.916 -7.151 0.331 1.00 0.00 C ATOM 1086 CG LEU A 75 9.766 -5.996 -0.624 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.628 -5.118 -0.154 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.058 -5.211 -0.746 1.00 0.00 C ATOM 0 H LEU A 75 9.715 -9.558 0.465 1.00 0.00 H new ATOM 0 HA LEU A 75 11.548 -7.854 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.012 -7.759 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.977 -6.754 1.344 1.00 0.00 H new ATOM 0 HG LEU A 75 9.537 -6.377 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.510 -4.278 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.706 -5.699 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.847 -4.743 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.917 -4.384 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.339 -4.818 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.848 -5.865 -1.115 1.00 0.00 H new ATOM 1100 N ARG A 76 13.321 -8.466 1.018 1.00 0.00 N ATOM 1101 CA ARG A 76 14.415 -8.317 1.966 1.00 0.00 C ATOM 1102 C ARG A 76 14.858 -6.861 2.065 1.00 0.00 C ATOM 1103 O ARG A 76 14.587 -6.057 1.173 1.00 0.00 O ATOM 1104 CB ARG A 76 15.587 -9.206 1.552 1.00 0.00 C ATOM 1105 CG ARG A 76 15.198 -10.663 1.339 1.00 0.00 C ATOM 1106 CD ARG A 76 15.368 -11.474 2.613 1.00 0.00 C ATOM 1107 NE ARG A 76 16.007 -12.761 2.359 1.00 0.00 N ATOM 1108 CZ ARG A 76 15.394 -13.786 1.777 1.00 0.00 C ATOM 1109 NH1 ARG A 76 14.130 -13.672 1.393 1.00 0.00 N ATOM 1110 NH2 ARG A 76 16.044 -14.924 1.579 1.00 0.00 N ATOM 0 H ARG A 76 13.505 -9.127 0.263 1.00 0.00 H new ATOM 0 HA ARG A 76 14.064 -8.628 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.021 -8.816 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.361 -9.153 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.162 -10.720 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.812 -11.093 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.965 -10.907 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.393 -11.637 3.072 1.00 0.00 H new ATOM 0 HE ARG A 76 16.979 -12.880 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.628 -12.797 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.660 -14.459 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.016 -15.014 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.572 -15.710 1.132 1.00 0.00 H new ATOM 1124 N ARG A 77 15.517 -6.521 3.170 1.00 0.00 N ATOM 1125 CA ARG A 77 15.977 -5.159 3.401 1.00 0.00 C ATOM 1126 C ARG A 77 16.731 -4.619 2.188 1.00 0.00 C ATOM 1127 O ARG A 77 17.368 -5.374 1.452 1.00 0.00 O ATOM 1128 CB ARG A 77 16.871 -5.111 4.642 1.00 0.00 C ATOM 1129 CG ARG A 77 17.556 -3.773 4.853 1.00 0.00 C ATOM 1130 CD ARG A 77 18.946 -3.762 4.241 1.00 0.00 C ATOM 1131 NE ARG A 77 19.575 -2.447 4.333 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.660 -2.102 3.650 1.00 0.00 C ATOM 1133 NH1 ARG A 77 21.233 -2.969 2.827 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.174 -0.887 3.789 1.00 0.00 N ATOM 0 H ARG A 77 15.744 -7.174 3.920 1.00 0.00 H new ATOM 0 HA ARG A 77 15.103 -4.528 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.269 -5.343 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.631 -5.889 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.954 -2.980 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.624 -3.561 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.570 -4.499 4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.884 -4.061 3.195 1.00 0.00 H new ATOM 0 HE ARG A 77 19.158 -1.756 4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.840 -3.904 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.066 -2.701 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 77 20.736 -0.217 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.008 -0.623 3.264 1.00 0.00 H new ATOM 1148 N GLY A 78 16.657 -3.306 1.990 1.00 0.00 N ATOM 1149 CA GLY A 78 17.333 -2.684 0.867 1.00 0.00 C ATOM 1150 C GLY A 78 16.469 -2.640 -0.377 1.00 0.00 C ATOM 1151 O GLY A 78 16.963 -2.813 -1.491 1.00 0.00 O ATOM 0 H GLY A 78 16.140 -2.662 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.625 -1.670 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.250 -3.232 0.650 1.00 0.00 H new ATOM 1155 N ASP A 79 15.173 -2.408 -0.187 1.00 0.00 N ATOM 1156 CA ASP A 79 14.234 -2.352 -1.301 1.00 0.00 C ATOM 1157 C ASP A 79 13.276 -1.173 -1.151 1.00 0.00 C ATOM 1158 O ASP A 79 12.932 -0.778 -0.038 1.00 0.00 O ATOM 1159 CB ASP A 79 13.443 -3.660 -1.384 1.00 0.00 C ATOM 1160 CG ASP A 79 14.285 -4.815 -1.889 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.525 -4.747 -1.760 1.00 0.00 O ATOM 1162 OD2 ASP A 79 13.703 -5.790 -2.410 1.00 0.00 O ATOM 0 H ASP A 79 14.750 -2.256 0.729 1.00 0.00 H new ATOM 0 HA ASP A 79 14.803 -2.215 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.048 -3.906 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.587 -3.522 -2.045 1.00 0.00 H new ATOM 1167 N THR A 80 12.848 -0.615 -2.281 1.00 0.00 N ATOM 1168 CA THR A 80 11.932 0.520 -2.275 1.00 0.00 C ATOM 1169 C THR A 80 10.578 0.132 -2.862 1.00 0.00 C ATOM 1170 O THR A 80 10.506 -0.528 -3.898 1.00 0.00 O ATOM 1171 CB THR A 80 12.526 1.687 -3.064 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.890 1.875 -2.728 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.809 2.998 -2.828 1.00 0.00 C ATOM 0 H THR A 80 13.121 -0.931 -3.211 1.00 0.00 H new ATOM 0 HA THR A 80 11.784 0.828 -1.240 1.00 0.00 H new ATOM 0 HB THR A 80 12.411 1.415 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.967 2.586 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.282 3.783 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.765 2.900 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.863 3.257 -1.771 1.00 0.00 H new ATOM 1181 N LEU A 81 9.504 0.548 -2.193 1.00 0.00 N ATOM 1182 CA LEU A 81 8.155 0.226 -2.638 1.00 0.00 C ATOM 1183 C LEU A 81 7.261 1.462 -2.599 1.00 0.00 C ATOM 1184 O LEU A 81 7.594 2.456 -1.960 1.00 0.00 O ATOM 1185 CB LEU A 81 7.549 -0.894 -1.777 1.00 0.00 C ATOM 1186 CG LEU A 81 8.280 -1.170 -0.457 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.441 -2.045 0.468 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.631 -1.807 -0.731 1.00 0.00 C ATOM 0 H LEU A 81 9.545 1.108 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 81 8.217 -0.124 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.513 -0.639 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.532 -1.813 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 81 8.440 -0.219 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.987 -2.222 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.501 -1.541 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.235 -2.998 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.141 -1.999 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.489 -2.747 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.234 -1.133 -1.339 1.00 0.00 H new ATOM 1200 N THR A 82 6.162 1.415 -3.343 1.00 0.00 N ATOM 1201 CA THR A 82 5.221 2.531 -3.410 1.00 0.00 C ATOM 1202 C THR A 82 3.824 2.071 -3.000 1.00 0.00 C ATOM 1203 O THR A 82 3.325 1.082 -3.524 1.00 0.00 O ATOM 1204 CB THR A 82 5.185 3.078 -4.836 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.340 2.028 -5.777 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.263 4.096 -5.106 1.00 0.00 C ATOM 0 H THR A 82 5.898 0.611 -3.913 1.00 0.00 H new ATOM 0 HA THR A 82 5.547 3.313 -2.725 1.00 0.00 H new ATOM 0 HB THR A 82 4.214 3.562 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.643 2.098 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.184 4.446 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.145 4.940 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.241 3.640 -4.952 1.00 0.00 H new ATOM 1214 N ILE A 83 3.184 2.778 -2.073 1.00 0.00 N ATOM 1215 CA ILE A 83 1.860 2.352 -1.613 1.00 0.00 C ATOM 1216 C ILE A 83 0.811 3.491 -1.639 1.00 0.00 C ATOM 1217 O ILE A 83 0.719 4.199 -2.642 1.00 0.00 O ATOM 1218 CB ILE A 83 1.970 1.666 -0.224 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.754 0.775 0.090 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.239 2.701 0.856 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.720 0.275 1.520 1.00 0.00 C ATOM 0 H ILE A 83 3.545 3.625 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 83 1.485 1.615 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 83 2.823 0.987 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.158 1.336 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.757 -0.081 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.314 2.206 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.174 3.218 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.423 3.423 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.164 -0.346 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.615 -0.314 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.685 1.125 2.202 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.061 3.605 -0.618 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.092 4.631 -0.641 1.00 0.00 C ATOM 1235 C GLY A 84 -0.512 5.996 -0.917 1.00 0.00 C ATOM 1236 O GLY A 84 -1.009 6.742 -1.761 1.00 0.00 O ATOM 0 H GLY A 84 -0.065 3.009 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.831 4.388 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.615 4.644 0.315 1.00 0.00 H new ATOM 1240 N GLU A 85 0.588 6.287 -0.240 1.00 0.00 N ATOM 1241 CA GLU A 85 1.353 7.502 -0.494 1.00 0.00 C ATOM 1242 C GLU A 85 2.500 7.166 -1.436 1.00 0.00 C ATOM 1243 O GLU A 85 3.581 7.748 -1.349 1.00 0.00 O ATOM 1244 CB GLU A 85 1.920 8.100 0.804 1.00 0.00 C ATOM 1245 CG GLU A 85 2.008 7.125 1.971 1.00 0.00 C ATOM 1246 CD GLU A 85 0.684 6.964 2.693 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.105 6.082 2.295 1.00 0.00 O ATOM 1248 OE2 GLU A 85 0.437 7.721 3.654 1.00 0.00 O ATOM 0 H GLU A 85 0.975 5.695 0.495 1.00 0.00 H new ATOM 0 HA GLU A 85 0.688 8.242 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.916 8.493 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.298 8.945 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.339 6.153 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.763 7.474 2.676 1.00 0.00 H new ATOM 1255 N GLU A 86 2.268 6.150 -2.275 1.00 0.00 N ATOM 1256 CA GLU A 86 3.263 5.627 -3.199 1.00 0.00 C ATOM 1257 C GLU A 86 4.667 5.689 -2.613 1.00 0.00 C ATOM 1258 O GLU A 86 5.640 5.925 -3.323 1.00 0.00 O ATOM 1259 CB GLU A 86 3.189 6.335 -4.542 1.00 0.00 C ATOM 1260 CG GLU A 86 3.669 7.777 -4.515 1.00 0.00 C ATOM 1261 CD GLU A 86 2.715 8.723 -5.219 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.380 8.463 -6.394 1.00 0.00 O ATOM 1263 OE2 GLU A 86 2.302 9.724 -4.595 1.00 0.00 O ATOM 0 H GLU A 86 1.371 5.667 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 86 3.033 4.575 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.785 5.779 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.158 6.314 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.793 8.095 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.650 7.838 -4.987 1.00 0.00 H new ATOM 1270 N ASN A 87 4.759 5.512 -1.298 1.00 0.00 N ATOM 1271 CA ASN A 87 6.053 5.493 -0.643 1.00 0.00 C ATOM 1272 C ASN A 87 6.110 4.457 0.476 1.00 0.00 C ATOM 1273 O ASN A 87 5.526 4.638 1.542 1.00 0.00 O ATOM 1274 CB ASN A 87 6.406 6.868 -0.088 1.00 0.00 C ATOM 1275 CG ASN A 87 7.510 7.546 -0.876 1.00 0.00 C ATOM 1276 OD1 ASN A 87 7.250 8.255 -1.848 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.752 7.327 -0.461 1.00 0.00 N ATOM 0 H ASN A 87 3.961 5.382 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 87 6.785 5.215 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.517 7.499 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.715 6.768 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.537 7.754 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.921 6.732 0.350 1.00 0.00 H new ATOM 1284 N PHE A 88 6.877 3.409 0.229 1.00 0.00 N ATOM 1285 CA PHE A 88 7.123 2.355 1.200 1.00 0.00 C ATOM 1286 C PHE A 88 8.574 1.928 1.098 1.00 0.00 C ATOM 1287 O PHE A 88 9.131 1.838 0.003 1.00 0.00 O ATOM 1288 CB PHE A 88 6.227 1.137 0.935 1.00 0.00 C ATOM 1289 CG PHE A 88 5.088 0.926 1.896 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.706 1.911 2.779 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.407 -0.283 1.916 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.649 1.716 3.648 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.361 -0.492 2.792 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.977 0.512 3.656 1.00 0.00 C ATOM 0 H PHE A 88 7.352 3.264 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 88 6.899 2.739 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.815 1.228 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.852 0.244 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.240 2.850 2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.699 -1.071 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.350 2.506 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.844 -1.440 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.153 0.356 4.336 1.00 0.00 H new ATOM 1304 N TRP A 89 9.173 1.638 2.229 1.00 0.00 N ATOM 1305 CA TRP A 89 10.548 1.172 2.260 1.00 0.00 C ATOM 1306 C TRP A 89 10.668 -0.011 3.197 1.00 0.00 C ATOM 1307 O TRP A 89 10.009 -0.053 4.236 1.00 0.00 O ATOM 1308 CB TRP A 89 11.499 2.289 2.690 1.00 0.00 C ATOM 1309 CG TRP A 89 12.898 2.106 2.186 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.775 1.121 2.541 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.580 2.927 1.232 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.962 1.282 1.866 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.866 2.384 1.058 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.227 4.072 0.510 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.800 2.946 0.190 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.154 4.628 -0.350 1.00 0.00 C ATOM 1317 CH2 TRP A 89 15.428 4.065 -0.504 1.00 0.00 C ATOM 0 H TRP A 89 8.732 1.715 3.145 1.00 0.00 H new ATOM 0 HA TRP A 89 10.829 0.863 1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.113 3.243 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.517 2.342 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.567 0.332 3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.780 0.679 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.248 4.513 0.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.782 2.514 0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 13.892 5.512 -0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.130 4.524 -1.184 1.00 0.00 H new ATOM 1328 N VAL A 90 11.494 -0.980 2.836 1.00 0.00 N ATOM 1329 CA VAL A 90 11.640 -2.153 3.671 1.00 0.00 C ATOM 1330 C VAL A 90 12.671 -1.900 4.748 1.00 0.00 C ATOM 1331 O VAL A 90 13.875 -1.869 4.493 1.00 0.00 O ATOM 1332 CB VAL A 90 12.060 -3.398 2.872 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.158 -4.608 3.788 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.087 -3.660 1.741 1.00 0.00 C ATOM 0 H VAL A 90 12.061 -0.977 1.988 1.00 0.00 H new ATOM 0 HA VAL A 90 10.662 -2.346 4.111 1.00 0.00 H new ATOM 0 HB VAL A 90 13.043 -3.214 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.456 -5.481 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.900 -4.418 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.189 -4.794 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.402 -4.545 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.090 -3.823 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.068 -2.801 1.071 1.00 0.00 H new ATOM 1344 N ASP A 91 12.174 -1.749 5.958 1.00 0.00 N ATOM 1345 CA ASP A 91 13.016 -1.539 7.111 1.00 0.00 C ATOM 1346 C ASP A 91 13.367 -2.892 7.711 1.00 0.00 C ATOM 1347 O ASP A 91 14.532 -3.279 7.760 1.00 0.00 O ATOM 1348 CB ASP A 91 12.285 -0.654 8.120 1.00 0.00 C ATOM 1349 CG ASP A 91 13.220 -0.051 9.149 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.159 -0.753 9.579 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.015 1.123 9.523 1.00 0.00 O ATOM 0 H ASP A 91 11.176 -1.769 6.167 1.00 0.00 H new ATOM 0 HA ASP A 91 13.939 -1.033 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.769 0.146 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.522 -1.243 8.629 1.00 0.00 H new ATOM 1356 N ARG A 92 12.326 -3.645 8.052 1.00 0.00 N ATOM 1357 CA ARG A 92 12.473 -5.006 8.553 1.00 0.00 C ATOM 1358 C ARG A 92 13.604 -5.142 9.563 1.00 0.00 C ATOM 1359 O ARG A 92 14.236 -4.163 9.959 1.00 0.00 O ATOM 1360 CB ARG A 92 12.695 -5.962 7.378 1.00 0.00 C ATOM 1361 CG ARG A 92 11.412 -6.344 6.652 1.00 0.00 C ATOM 1362 CD ARG A 92 11.157 -7.840 6.736 1.00 0.00 C ATOM 1363 NE ARG A 92 11.840 -8.573 5.675 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.051 -9.885 5.704 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.630 -10.603 6.736 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.682 -10.479 4.702 1.00 0.00 N ATOM 0 H ARG A 92 11.358 -3.329 7.989 1.00 0.00 H new ATOM 0 HA ARG A 92 11.552 -5.263 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.380 -5.499 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.179 -6.868 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.571 -5.804 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.479 -6.042 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.491 -8.211 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.085 -8.029 6.675 1.00 0.00 H new ATOM 0 HE ARG A 92 12.174 -8.049 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.144 -10.149 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.793 -11.610 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.007 -9.929 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.843 -11.486 4.726 1.00 0.00 H new ATOM 1380 N VAL A 93 13.818 -6.373 10.001 1.00 0.00 N ATOM 1381 CA VAL A 93 14.823 -6.692 10.973 1.00 0.00 C ATOM 1382 C VAL A 93 16.228 -6.385 10.457 1.00 0.00 C ATOM 1383 O VAL A 93 16.410 -6.040 9.290 1.00 0.00 O ATOM 1384 CB VAL A 93 14.697 -8.180 11.327 1.00 0.00 C ATOM 1385 CG1 VAL A 93 13.256 -8.520 11.681 1.00 0.00 C ATOM 1386 CG2 VAL A 93 15.191 -9.065 10.189 1.00 0.00 C ATOM 0 H VAL A 93 13.285 -7.181 9.680 1.00 0.00 H new ATOM 0 HA VAL A 93 14.669 -6.076 11.859 1.00 0.00 H new ATOM 0 HB VAL A 93 15.327 -8.373 12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.183 -9.579 11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.941 -7.923 12.537 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.611 -8.302 10.830 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.088 -10.113 10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.600 -8.871 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.239 -8.845 9.986 1.00 0.00 H new ATOM 1396 N SER A 94 17.218 -6.521 11.333 1.00 0.00 N ATOM 1397 CA SER A 94 18.605 -6.267 10.962 1.00 0.00 C ATOM 1398 C SER A 94 19.081 -7.280 9.924 1.00 0.00 C ATOM 1399 O SER A 94 18.588 -8.407 9.876 1.00 0.00 O ATOM 1400 CB SER A 94 19.503 -6.324 12.199 1.00 0.00 C ATOM 1401 OG SER A 94 18.735 -6.437 13.384 1.00 0.00 O ATOM 0 H SER A 94 17.086 -6.805 12.304 1.00 0.00 H new ATOM 0 HA SER A 94 18.665 -5.270 10.525 1.00 0.00 H new ATOM 0 HB2 SER A 94 20.182 -7.173 12.120 1.00 0.00 H new ATOM 0 HB3 SER A 94 20.119 -5.426 12.246 1.00 0.00 H new ATOM 0 HG SER A 94 19.333 -6.473 14.159 1.00 0.00 H new ATOM 1407 N PRO A 95 20.044 -6.889 9.073 1.00 0.00 N ATOM 1408 CA PRO A 95 20.582 -7.770 8.034 1.00 0.00 C ATOM 1409 C PRO A 95 20.925 -9.156 8.569 1.00 0.00 C ATOM 1410 O PRO A 95 20.789 -10.156 7.865 1.00 0.00 O ATOM 1411 CB PRO A 95 21.845 -7.042 7.578 1.00 0.00 C ATOM 1412 CG PRO A 95 21.560 -5.602 7.835 1.00 0.00 C ATOM 1413 CD PRO A 95 20.687 -5.561 9.059 1.00 0.00 C ATOM 0 HA PRO A 95 19.863 -7.948 7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 95 22.720 -7.379 8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 95 22.049 -7.224 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 95 22.483 -5.045 7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 95 21.057 -5.146 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 95 21.272 -5.389 9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 95 19.950 -4.760 8.999 1.00 0.00 H new ATOM 1421 N ASP A 96 21.367 -9.207 9.822 1.00 0.00 N ATOM 1422 CA ASP A 96 21.727 -10.471 10.454 1.00 0.00 C ATOM 1423 C ASP A 96 20.980 -10.653 11.772 1.00 0.00 C ATOM 1424 O ASP A 96 21.551 -10.484 12.849 1.00 0.00 O ATOM 1425 CB ASP A 96 23.236 -10.532 10.699 1.00 0.00 C ATOM 1426 CG ASP A 96 23.762 -11.953 10.717 1.00 0.00 C ATOM 1427 OD1 ASP A 96 23.730 -12.584 11.794 1.00 0.00 O ATOM 1428 OD2 ASP A 96 24.205 -12.435 9.653 1.00 0.00 O ATOM 0 H ASP A 96 21.484 -8.388 10.419 1.00 0.00 H new ATOM 0 HA ASP A 96 21.442 -11.279 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 96 23.751 -9.967 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 96 23.467 -10.050 11.649 1.00 0.00 H new ATOM 1433 N ASP A 97 19.700 -10.998 11.678 1.00 0.00 N ATOM 1434 CA ASP A 97 18.874 -11.199 12.862 1.00 0.00 C ATOM 1435 C ASP A 97 17.802 -12.254 12.606 1.00 0.00 C ATOM 1436 O ASP A 97 17.456 -12.537 11.460 1.00 0.00 O ATOM 1437 CB ASP A 97 18.218 -9.882 13.281 1.00 0.00 C ATOM 1438 CG ASP A 97 17.728 -9.910 14.716 1.00 0.00 C ATOM 1439 OD1 ASP A 97 16.668 -10.520 14.969 1.00 0.00 O ATOM 1440 OD2 ASP A 97 18.404 -9.321 15.586 1.00 0.00 O ATOM 0 H ASP A 97 19.213 -11.144 10.794 1.00 0.00 H new ATOM 0 HA ASP A 97 19.519 -11.550 13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 97 18.933 -9.069 13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 97 17.379 -9.670 12.618 1.00 0.00 H new ATOM 1445 N GLY A 98 17.282 -12.835 13.683 1.00 0.00 N ATOM 1446 CA GLY A 98 16.257 -13.854 13.555 1.00 0.00 C ATOM 1447 C GLY A 98 14.883 -13.348 13.945 1.00 0.00 C ATOM 1448 O GLY A 98 14.612 -13.114 15.122 1.00 0.00 O ATOM 0 H GLY A 98 17.553 -12.618 14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.230 -14.211 12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.518 -14.707 14.181 1.00 0.00 H new ATOM 1452 N GLY A 99 14.012 -13.180 12.955 1.00 0.00 N ATOM 1453 CA GLY A 99 12.668 -12.701 13.222 1.00 0.00 C ATOM 1454 C GLY A 99 11.639 -13.321 12.299 1.00 0.00 C ATOM 1455 O GLY A 99 10.748 -14.043 12.746 1.00 0.00 O ATOM 0 H GLY A 99 14.213 -13.367 11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.405 -12.923 14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.643 -11.617 13.113 1.00 0.00 H new ATOM 1459 N SER A 100 11.761 -13.038 11.006 1.00 0.00 N ATOM 1460 CA SER A 100 10.836 -13.575 10.014 1.00 0.00 C ATOM 1461 C SER A 100 9.431 -13.022 10.221 1.00 0.00 C ATOM 1462 O SER A 100 8.902 -13.039 11.333 1.00 0.00 O ATOM 1463 CB SER A 100 10.810 -15.102 10.086 1.00 0.00 C ATOM 1464 OG SER A 100 9.859 -15.553 11.036 1.00 0.00 O ATOM 0 H SER A 100 12.492 -12.440 10.620 1.00 0.00 H new ATOM 0 HA SER A 100 11.184 -13.269 9.028 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.570 -15.511 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.799 -15.473 10.353 1.00 0.00 H new ATOM 0 HG SER A 100 9.748 -14.875 11.735 1.00 0.00 H new ATOM 1470 N CYS A 101 8.830 -12.533 9.141 1.00 0.00 N ATOM 1471 CA CYS A 101 7.484 -11.979 9.199 1.00 0.00 C ATOM 1472 C CYS A 101 7.428 -10.768 10.125 1.00 0.00 C ATOM 1473 O CYS A 101 6.528 -10.649 10.957 1.00 0.00 O ATOM 1474 CB CYS A 101 6.494 -13.044 9.677 1.00 0.00 C ATOM 1475 SG CYS A 101 6.752 -14.675 8.942 1.00 0.00 S ATOM 0 H CYS A 101 9.255 -12.510 8.214 1.00 0.00 H new ATOM 0 HA CYS A 101 7.209 -11.657 8.195 1.00 0.00 H new ATOM 0 HB2 CYS A 101 6.566 -13.131 10.761 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.481 -12.711 9.450 1.00 0.00 H new ATOM 0 HG CYS A 101 5.869 -15.506 9.410 1.00 0.00 H new ATOM 1481 N HIS A 102 8.397 -9.870 9.975 1.00 0.00 N ATOM 1482 CA HIS A 102 8.449 -8.657 10.781 1.00 0.00 C ATOM 1483 C HIS A 102 8.586 -7.434 9.886 1.00 0.00 C ATOM 1484 O HIS A 102 9.386 -6.537 10.147 1.00 0.00 O ATOM 1485 CB HIS A 102 9.612 -8.722 11.773 1.00 0.00 C ATOM 1486 CG HIS A 102 9.213 -9.226 13.123 1.00 0.00 C ATOM 1487 ND1 HIS A 102 10.047 -9.978 13.923 1.00 0.00 N ATOM 1488 CD2 HIS A 102 8.057 -9.086 13.816 1.00 0.00 C ATOM 1489 CE1 HIS A 102 9.424 -10.277 15.049 1.00 0.00 C ATOM 1490 NE2 HIS A 102 8.214 -9.747 15.008 1.00 0.00 N ATOM 0 H HIS A 102 9.158 -9.961 9.301 1.00 0.00 H new ATOM 0 HA HIS A 102 7.519 -8.576 11.344 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.390 -9.368 11.367 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.046 -7.728 11.878 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.176 -8.553 13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 102 9.834 -10.856 15.864 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.511 -9.818 15.743 1.00 0.00 H new ATOM 1499 N LEU A 103 7.797 -7.423 8.819 1.00 0.00 N ATOM 1500 CA LEU A 103 7.814 -6.339 7.850 1.00 0.00 C ATOM 1501 C LEU A 103 7.785 -4.972 8.528 1.00 0.00 C ATOM 1502 O LEU A 103 6.717 -4.430 8.786 1.00 0.00 O ATOM 1503 CB LEU A 103 6.609 -6.477 6.912 1.00 0.00 C ATOM 1504 CG LEU A 103 6.942 -6.754 5.442 1.00 0.00 C ATOM 1505 CD1 LEU A 103 7.302 -5.461 4.724 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.068 -7.769 5.325 1.00 0.00 C ATOM 0 H LEU A 103 7.130 -8.164 8.603 1.00 0.00 H new ATOM 0 HA LEU A 103 8.742 -6.407 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.975 -7.284 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.022 -5.560 6.966 1.00 0.00 H new ATOM 0 HG LEU A 103 6.058 -7.176 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.536 -5.677 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.459 -4.771 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.169 -5.008 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.287 -7.950 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.959 -7.383 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.766 -8.703 5.799 1.00 0.00 H new ATOM 1518 N TRP A 104 8.961 -4.394 8.753 1.00 0.00 N ATOM 1519 CA TRP A 104 9.071 -3.064 9.343 1.00 0.00 C ATOM 1520 C TRP A 104 9.288 -2.045 8.226 1.00 0.00 C ATOM 1521 O TRP A 104 10.112 -2.260 7.336 1.00 0.00 O ATOM 1522 CB TRP A 104 10.211 -3.038 10.372 1.00 0.00 C ATOM 1523 CG TRP A 104 10.616 -1.669 10.831 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.870 -0.526 10.796 1.00 0.00 C ATOM 1525 CD2 TRP A 104 11.872 -1.307 11.419 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.587 0.524 11.316 1.00 0.00 N ATOM 1527 CE2 TRP A 104 11.819 0.069 11.708 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.038 -2.014 11.726 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 12.886 0.752 12.286 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.098 -1.336 12.301 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.015 0.034 12.575 1.00 0.00 C ATOM 0 H TRP A 104 9.857 -4.829 8.534 1.00 0.00 H new ATOM 0 HA TRP A 104 8.153 -2.806 9.871 1.00 0.00 H new ATOM 0 HB2 TRP A 104 9.910 -3.622 11.241 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.081 -3.533 9.941 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.862 -0.457 10.415 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.256 1.486 11.397 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.110 -3.071 11.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 12.825 1.809 12.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.004 -1.872 12.542 1.00 0.00 H new ATOM 0 HH2 TRP A 104 14.860 0.535 13.024 1.00 0.00 H new ATOM 1542 N LEU A 105 8.478 -0.990 8.217 1.00 0.00 N ATOM 1543 CA LEU A 105 8.472 -0.045 7.108 1.00 0.00 C ATOM 1544 C LEU A 105 9.188 1.265 7.376 1.00 0.00 C ATOM 1545 O LEU A 105 9.292 1.734 8.509 1.00 0.00 O ATOM 1546 CB LEU A 105 7.036 0.315 6.746 1.00 0.00 C ATOM 1547 CG LEU A 105 6.144 -0.837 6.316 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.729 -1.664 7.514 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.934 -0.292 5.614 1.00 0.00 C ATOM 0 H LEU A 105 7.819 -0.770 8.964 1.00 0.00 H new ATOM 0 HA LEU A 105 9.004 -0.560 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.577 0.801 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.059 1.049 5.941 1.00 0.00 H new ATOM 0 HG LEU A 105 6.698 -1.483 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.091 -2.484 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.616 -2.067 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.181 -1.037 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.291 -1.116 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.384 0.362 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.247 0.274 4.737 1.00 0.00 H new ATOM 1561 N GLY A 106 9.518 1.914 6.267 1.00 0.00 N ATOM 1562 CA GLY A 106 10.055 3.254 6.270 1.00 0.00 C ATOM 1563 C GLY A 106 9.436 4.059 5.135 1.00 0.00 C ATOM 1564 O GLY A 106 9.757 3.833 3.969 1.00 0.00 O ATOM 0 H GLY A 106 9.416 1.514 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.848 3.736 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.139 3.222 6.157 1.00 0.00 H new ATOM 1568 N ARG A 107 8.495 4.946 5.457 1.00 0.00 N ATOM 1569 CA ARG A 107 7.793 5.716 4.427 1.00 0.00 C ATOM 1570 C ARG A 107 8.410 7.097 4.257 1.00 0.00 C ATOM 1571 O ARG A 107 8.802 7.737 5.233 1.00 0.00 O ATOM 1572 CB ARG A 107 6.311 5.890 4.788 1.00 0.00 C ATOM 1573 CG ARG A 107 5.477 4.641 4.604 1.00 0.00 C ATOM 1574 CD ARG A 107 4.162 4.950 3.896 1.00 0.00 C ATOM 1575 NE ARG A 107 3.098 5.271 4.846 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.805 5.009 4.645 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.397 4.420 3.527 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.915 5.337 5.571 1.00 0.00 N ATOM 0 H ARG A 107 8.202 5.149 6.413 1.00 0.00 H new ATOM 0 HA ARG A 107 7.884 5.158 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.237 6.213 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.891 6.688 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.040 3.908 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.272 4.192 5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.305 5.787 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.864 4.093 3.292 1.00 0.00 H new ATOM 0 HE ARG A 107 3.361 5.725 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.075 4.162 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.406 4.225 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.219 5.788 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.074 5.138 5.421 1.00 0.00 H new ATOM 1592 N GLY A 108 8.459 7.565 3.018 1.00 0.00 N ATOM 1593 CA GLY A 108 8.971 8.894 2.749 1.00 0.00 C ATOM 1594 C GLY A 108 7.900 9.957 2.900 1.00 0.00 C ATOM 1595 O GLY A 108 8.205 11.143 3.030 1.00 0.00 O ATOM 0 H GLY A 108 8.153 7.048 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.794 9.110 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.376 8.929 1.738 1.00 0.00 H new ATOM 1599 N VAL A 109 6.644 9.524 2.903 1.00 0.00 N ATOM 1600 CA VAL A 109 5.516 10.432 3.044 1.00 0.00 C ATOM 1601 C VAL A 109 4.493 9.880 4.034 1.00 0.00 C ATOM 1602 O VAL A 109 3.441 9.380 3.637 1.00 0.00 O ATOM 1603 CB VAL A 109 4.822 10.668 1.691 1.00 0.00 C ATOM 1604 CG1 VAL A 109 3.648 11.621 1.847 1.00 0.00 C ATOM 1605 CG2 VAL A 109 5.815 11.195 0.667 1.00 0.00 C ATOM 0 H VAL A 109 6.382 8.543 2.809 1.00 0.00 H new ATOM 0 HA VAL A 109 5.909 11.378 3.417 1.00 0.00 H new ATOM 0 HB VAL A 109 4.436 9.714 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.172 11.774 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.925 11.197 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.004 12.577 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.306 11.356 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.234 12.138 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.617 10.470 0.531 1.00 0.00 H new ATOM 1615 N PRO A 110 4.795 9.953 5.341 1.00 0.00 N ATOM 1616 CA PRO A 110 3.894 9.458 6.386 1.00 0.00 C ATOM 1617 C PRO A 110 2.454 9.938 6.197 1.00 0.00 C ATOM 1618 O PRO A 110 1.513 9.156 6.334 1.00 0.00 O ATOM 1619 CB PRO A 110 4.490 10.025 7.674 1.00 0.00 C ATOM 1620 CG PRO A 110 5.938 10.214 7.372 1.00 0.00 C ATOM 1621 CD PRO A 110 6.028 10.536 5.903 1.00 0.00 C ATOM 0 HA PRO A 110 3.827 8.370 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 110 4.016 10.968 7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 110 4.346 9.342 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 110 6.358 11.021 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.505 9.313 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.077 11.611 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 110 6.919 10.100 5.451 1.00 0.00 H new ATOM 1629 N PRO A 111 2.259 11.230 5.877 1.00 0.00 N ATOM 1630 CA PRO A 111 0.926 11.802 5.671 1.00 0.00 C ATOM 1631 C PRO A 111 0.312 11.359 4.347 1.00 0.00 C ATOM 1632 O PRO A 111 0.644 10.296 3.822 1.00 0.00 O ATOM 1633 CB PRO A 111 1.169 13.320 5.661 1.00 0.00 C ATOM 1634 CG PRO A 111 2.597 13.506 6.063 1.00 0.00 C ATOM 1635 CD PRO A 111 3.306 12.239 5.691 1.00 0.00 C ATOM 0 HA PRO A 111 0.227 11.480 6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.983 13.739 4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.498 13.828 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 111 3.037 14.362 5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 111 2.678 13.697 7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.670 12.263 4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.169 12.053 6.331 1.00 0.00 H new ATOM 1643 N ALA A 112 -0.577 12.187 3.806 1.00 0.00 N ATOM 1644 CA ALA A 112 -1.223 11.890 2.534 1.00 0.00 C ATOM 1645 C ALA A 112 -1.788 10.473 2.517 1.00 0.00 C ATOM 1646 O ALA A 112 -1.064 9.509 2.266 1.00 0.00 O ATOM 1647 CB ALA A 112 -0.239 12.084 1.391 1.00 0.00 C ATOM 0 H ALA A 112 -0.866 13.069 4.230 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.056 12.581 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.731 11.860 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 112 0.110 13.117 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.611 11.415 1.525 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.084 10.355 2.780 1.00 0.00 N ATOM 1654 CA VAL A 113 -3.748 9.057 2.789 1.00 0.00 C ATOM 1655 C VAL A 113 -5.260 9.218 2.908 1.00 0.00 C ATOM 1656 O VAL A 113 -5.751 9.937 3.778 1.00 0.00 O ATOM 1657 CB VAL A 113 -3.245 8.172 3.945 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -3.534 8.829 5.285 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -3.875 6.789 3.872 1.00 0.00 C ATOM 0 H VAL A 113 -3.697 11.143 2.990 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.507 8.572 1.843 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.165 8.059 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.172 8.189 6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.029 9.794 5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.609 8.976 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.508 6.178 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.959 6.879 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.610 6.318 2.925 1.00 0.00 H new ATOM 1669 N ASN A 114 -5.992 8.550 2.023 1.00 0.00 N ATOM 1670 CA ASN A 114 -7.448 8.622 2.026 1.00 0.00 C ATOM 1671 C ASN A 114 -8.033 7.794 3.166 1.00 0.00 C ATOM 1672 O ASN A 114 -7.791 6.591 3.259 1.00 0.00 O ATOM 1673 CB ASN A 114 -8.006 8.133 0.688 1.00 0.00 C ATOM 1674 CG ASN A 114 -8.049 9.231 -0.357 1.00 0.00 C ATOM 1675 OD1 ASN A 114 -7.696 10.377 -0.085 1.00 0.00 O ATOM 1676 ND2 ASN A 114 -8.484 8.883 -1.562 1.00 0.00 N ATOM 0 H ASN A 114 -5.601 7.953 1.295 1.00 0.00 H new ATOM 0 HA ASN A 114 -7.734 9.663 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.393 7.310 0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.011 7.739 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.535 9.579 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.767 7.920 -1.744 1.00 0.00 H new ATOM 1683 N ARG A 115 -8.806 8.448 4.028 1.00 0.00 N ATOM 1684 CA ARG A 115 -9.429 7.772 5.160 1.00 0.00 C ATOM 1685 C ARG A 115 -10.948 7.775 5.026 1.00 0.00 C ATOM 1686 O ARG A 115 -11.589 8.820 5.125 1.00 0.00 O ATOM 1687 CB ARG A 115 -9.019 8.445 6.472 1.00 0.00 C ATOM 1688 CG ARG A 115 -7.522 8.676 6.594 1.00 0.00 C ATOM 1689 CD ARG A 115 -7.173 10.152 6.483 1.00 0.00 C ATOM 1690 NE ARG A 115 -7.348 10.853 7.753 1.00 0.00 N ATOM 1691 CZ ARG A 115 -6.468 10.805 8.747 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -5.358 10.091 8.619 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -6.697 11.470 9.871 1.00 0.00 N ATOM 0 H ARG A 115 -9.015 9.444 3.964 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.085 6.738 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.534 9.402 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.353 7.829 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.170 8.289 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.002 8.119 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.140 10.256 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.801 10.617 5.723 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.192 11.410 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.179 9.577 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.684 10.055 9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.550 12.020 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.020 11.432 10.633 1.00 0.00 H new ATOM 1707 N ARG A 116 -11.515 6.597 4.794 1.00 0.00 N ATOM 1708 CA ARG A 116 -12.957 6.458 4.639 1.00 0.00 C ATOM 1709 C ARG A 116 -13.642 6.322 5.994 1.00 0.00 C ATOM 1710 O ARG A 116 -12.986 6.118 7.016 1.00 0.00 O ATOM 1711 CB ARG A 116 -13.278 5.242 3.768 1.00 0.00 C ATOM 1712 CG ARG A 116 -12.805 5.382 2.330 1.00 0.00 C ATOM 1713 CD ARG A 116 -13.959 5.691 1.392 1.00 0.00 C ATOM 1714 NE ARG A 116 -13.927 7.072 0.921 1.00 0.00 N ATOM 1715 CZ ARG A 116 -14.899 7.629 0.205 1.00 0.00 C ATOM 1716 NH1 ARG A 116 -15.973 6.923 -0.122 1.00 0.00 N ATOM 1717 NH2 ARG A 116 -14.797 8.893 -0.185 1.00 0.00 N ATOM 0 H ARG A 116 -10.996 5.723 4.709 1.00 0.00 H new ATOM 0 HA ARG A 116 -13.334 7.358 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -12.817 4.358 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -14.355 5.076 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -12.061 6.176 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -12.316 4.460 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -13.922 5.016 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -14.903 5.505 1.905 1.00 0.00 H new ATOM 0 HE ARG A 116 -13.114 7.642 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -16.054 5.951 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -16.718 7.352 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -13.972 9.439 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -15.543 9.319 -0.734 1.00 0.00 H new ATOM 1731 N ARG A 117 -14.966 6.436 5.996 1.00 0.00 N ATOM 1732 CA ARG A 117 -15.742 6.324 7.226 1.00 0.00 C ATOM 1733 C ARG A 117 -17.236 6.428 6.938 1.00 0.00 C ATOM 1734 O ARG A 117 -18.032 5.925 7.758 1.00 0.00 O ATOM 1735 CB ARG A 117 -15.325 7.410 8.218 1.00 0.00 C ATOM 1736 CG ARG A 117 -15.167 8.783 7.586 1.00 0.00 C ATOM 1737 CD ARG A 117 -14.082 9.592 8.279 1.00 0.00 C ATOM 1738 NE ARG A 117 -14.595 10.852 8.810 1.00 0.00 N ATOM 1739 CZ ARG A 117 -14.765 11.947 8.077 1.00 0.00 C ATOM 1740 NH1 ARG A 117 -14.464 11.936 6.785 1.00 0.00 N ATOM 1741 NH2 ARG A 117 -15.237 13.054 8.633 1.00 0.00 N ATOM 1742 OXT ARG A 117 -17.597 7.013 5.895 1.00 0.00 O ATOM 0 H ARG A 117 -15.524 6.606 5.159 1.00 0.00 H new ATOM 0 HA ARG A 117 -15.542 5.346 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -16.068 7.469 9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -14.382 7.123 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -14.922 8.673 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -16.114 9.321 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -13.654 9.004 9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -13.276 9.797 7.574 1.00 0.00 H new ATOM 0 HE ARG A 117 -14.837 10.894 9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -14.102 11.086 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -14.595 12.777 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -15.471 13.066 9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -15.367 13.893 8.068 1.00 0.00 H new TER 1756 ARG A 117