USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 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 94 ASN : amide:sc= -0.895 K(o=-0.85,f=-3.3!) USER MOD Set 1.2: A 100 SER OG : rot 140:sc= 0.045 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.258 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.973 (180deg=0.973) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -141:sc= -0.138 (180deg=-0.793) USER MOD Single : A 9 ASN : amide:sc= 0.0409 X(o=0.041,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= -0.0241 (180deg=-0.265) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.31) USER MOD Single : A 18 THR OG1 : rot 177:sc= 1.28 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.00805 K(o=-0.0081,f=-0.88) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 30 ASN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 41 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-1.6) USER MOD Single : A 51 HIS : no HD1:sc= -0.989 K(o=-0.99,f=-2.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 58 CYS SG : rot 76:sc= 1.14 USER MOD Single : A 61 SER OG : rot 46:sc= 0.256 USER MOD Single : A 63 MET CE :methyl -143:sc= -0.113 (180deg=-0.65) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 72:sc= 1.19 USER MOD Single : A 81 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.77) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot -8:sc= 0.768 USER MOD Single : A 86 MET CE :methyl 139:sc= -0.189 (180deg=-1.62) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.28) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00238 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.455 23.949 7.827 1.00 0.00 N ATOM 2 CA MET A 1 -7.807 24.104 8.413 1.00 0.00 C ATOM 3 C MET A 1 -8.696 24.899 7.464 1.00 0.00 C ATOM 4 O MET A 1 -9.756 25.398 7.849 1.00 0.00 O ATOM 5 CB MET A 1 -7.716 24.821 9.765 1.00 0.00 C ATOM 6 CG MET A 1 -6.844 24.101 10.782 1.00 0.00 C ATOM 7 SD MET A 1 -6.668 25.021 12.325 1.00 0.00 S ATOM 8 CE MET A 1 -5.985 26.568 11.726 1.00 0.00 C ATOM 0 H1 MET A 1 -5.854 23.406 8.479 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.525 23.445 6.920 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.035 24.887 7.670 1.00 0.00 H new ATOM 0 HA MET A 1 -8.241 23.116 8.565 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.322 25.825 9.608 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.720 24.933 10.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.274 23.122 10.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.857 23.929 10.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.294 26.971 12.466 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.454 26.393 10.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.792 27.281 11.557 1.00 0.00 H new ATOM 20 N GLU A 2 -8.251 25.019 6.219 1.00 0.00 N ATOM 21 CA GLU A 2 -8.969 25.779 5.213 1.00 0.00 C ATOM 22 C GLU A 2 -8.958 25.005 3.901 1.00 0.00 C ATOM 23 O GLU A 2 -8.625 23.821 3.883 1.00 0.00 O ATOM 24 CB GLU A 2 -8.324 27.161 5.017 1.00 0.00 C ATOM 25 CG GLU A 2 -8.217 27.994 6.290 1.00 0.00 C ATOM 26 CD GLU A 2 -6.844 27.923 6.932 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.479 26.860 7.471 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.120 28.936 6.904 1.00 0.00 O ATOM 0 H GLU A 2 -7.387 24.593 5.883 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.997 25.928 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.326 27.026 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.904 27.718 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.450 29.033 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.965 27.652 7.005 1.00 0.00 H new ATOM 35 N VAL A 3 -9.324 25.661 2.808 1.00 0.00 N ATOM 36 CA VAL A 3 -9.249 25.034 1.494 1.00 0.00 C ATOM 37 C VAL A 3 -7.787 24.808 1.109 1.00 0.00 C ATOM 38 O VAL A 3 -7.454 23.848 0.414 1.00 0.00 O ATOM 39 CB VAL A 3 -9.951 25.886 0.414 1.00 0.00 C ATOM 40 CG1 VAL A 3 -9.858 25.226 -0.955 1.00 0.00 C ATOM 41 CG2 VAL A 3 -11.404 26.125 0.790 1.00 0.00 C ATOM 0 H VAL A 3 -9.673 26.619 2.803 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.766 24.076 1.551 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.440 26.847 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.361 25.849 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.810 25.109 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.336 24.247 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.885 26.727 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.919 25.168 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.451 26.651 1.743 1.00 0.00 H new ATOM 51 N GLN A 4 -6.926 25.707 1.574 1.00 0.00 N ATOM 52 CA GLN A 4 -5.486 25.586 1.378 1.00 0.00 C ATOM 53 C GLN A 4 -4.981 24.240 1.902 1.00 0.00 C ATOM 54 O GLN A 4 -4.571 23.377 1.125 1.00 0.00 O ATOM 55 CB GLN A 4 -4.775 26.738 2.091 1.00 0.00 C ATOM 56 CG GLN A 4 -3.272 26.776 1.866 1.00 0.00 C ATOM 57 CD GLN A 4 -2.622 27.963 2.548 1.00 0.00 C ATOM 58 OE1 GLN A 4 -3.094 28.436 3.584 1.00 0.00 O ATOM 59 NE2 GLN A 4 -1.540 28.457 1.971 1.00 0.00 N ATOM 0 H GLN A 4 -7.206 26.538 2.096 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.268 25.636 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.206 27.681 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.969 26.664 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.827 25.855 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.067 26.817 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.182 28.036 1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.063 29.259 2.383 1.00 0.00 H new ATOM 68 N SER A 5 -5.026 24.066 3.215 1.00 0.00 N ATOM 69 CA SER A 5 -4.644 22.809 3.838 1.00 0.00 C ATOM 70 C SER A 5 -5.880 22.149 4.442 1.00 0.00 C ATOM 71 O SER A 5 -6.432 22.634 5.436 1.00 0.00 O ATOM 72 CB SER A 5 -3.590 23.059 4.917 1.00 0.00 C ATOM 73 OG SER A 5 -2.545 23.879 4.419 1.00 0.00 O ATOM 0 H SER A 5 -5.326 24.786 3.873 1.00 0.00 H new ATOM 0 HA SER A 5 -4.216 22.145 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.053 23.536 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.181 22.109 5.260 1.00 0.00 H new ATOM 0 HG SER A 5 -1.882 24.029 5.125 1.00 0.00 H new ATOM 79 N MET A 6 -6.317 21.058 3.832 1.00 0.00 N ATOM 80 CA MET A 6 -7.566 20.412 4.219 1.00 0.00 C ATOM 81 C MET A 6 -7.315 19.298 5.225 1.00 0.00 C ATOM 82 O MET A 6 -6.176 18.877 5.429 1.00 0.00 O ATOM 83 CB MET A 6 -8.276 19.853 2.983 1.00 0.00 C ATOM 84 CG MET A 6 -8.638 20.912 1.955 1.00 0.00 C ATOM 85 SD MET A 6 -9.407 20.216 0.477 1.00 0.00 S ATOM 86 CE MET A 6 -8.089 19.165 -0.130 1.00 0.00 C ATOM 0 H MET A 6 -5.825 20.599 3.065 1.00 0.00 H new ATOM 0 HA MET A 6 -8.204 21.160 4.690 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.635 19.107 2.513 1.00 0.00 H new ATOM 0 HB3 MET A 6 -9.184 19.340 3.298 1.00 0.00 H new ATOM 0 HG2 MET A 6 -9.318 21.634 2.407 1.00 0.00 H new ATOM 0 HG3 MET A 6 -7.738 21.457 1.669 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.051 19.220 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.137 19.499 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 6 -8.275 18.135 0.175 1.00 0.00 H new ATOM 96 N LEU A 7 -8.381 18.826 5.852 1.00 0.00 N ATOM 97 CA LEU A 7 -8.276 17.760 6.837 1.00 0.00 C ATOM 98 C LEU A 7 -8.313 16.397 6.158 1.00 0.00 C ATOM 99 O LEU A 7 -9.071 16.184 5.211 1.00 0.00 O ATOM 100 CB LEU A 7 -9.410 17.862 7.859 1.00 0.00 C ATOM 101 CG LEU A 7 -9.437 19.154 8.679 1.00 0.00 C ATOM 102 CD1 LEU A 7 -10.618 19.154 9.637 1.00 0.00 C ATOM 103 CD2 LEU A 7 -8.132 19.334 9.444 1.00 0.00 C ATOM 0 H LEU A 7 -9.330 19.165 5.696 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.323 17.869 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.360 17.764 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.336 17.018 8.544 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.550 19.992 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.621 20.080 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.546 19.076 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.535 18.306 10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.173 20.258 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.987 18.491 10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.301 19.381 8.740 1.00 0.00 H new ATOM 115 N LEU A 8 -7.492 15.482 6.645 1.00 0.00 N ATOM 116 CA LEU A 8 -7.427 14.140 6.087 1.00 0.00 C ATOM 117 C LEU A 8 -8.354 13.208 6.857 1.00 0.00 C ATOM 118 O LEU A 8 -8.303 13.137 8.086 1.00 0.00 O ATOM 119 CB LEU A 8 -5.987 13.624 6.126 1.00 0.00 C ATOM 120 CG LEU A 8 -4.980 14.467 5.338 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.569 13.941 5.537 1.00 0.00 C ATOM 122 CD2 LEU A 8 -5.339 14.485 3.858 1.00 0.00 C ATOM 0 H LEU A 8 -6.859 15.644 7.428 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.754 14.170 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.662 13.573 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.970 12.606 5.737 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.021 15.489 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.869 14.554 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.311 13.982 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.513 12.909 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.612 15.089 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.328 13.467 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.334 14.912 3.730 1.00 0.00 H new ATOM 134 N ASN A 9 -9.208 12.502 6.133 1.00 0.00 N ATOM 135 CA ASN A 9 -10.184 11.624 6.759 1.00 0.00 C ATOM 136 C ASN A 9 -9.568 10.270 7.064 1.00 0.00 C ATOM 137 O ASN A 9 -9.020 9.609 6.182 1.00 0.00 O ATOM 138 CB ASN A 9 -11.418 11.443 5.870 1.00 0.00 C ATOM 139 CG ASN A 9 -12.110 12.754 5.553 1.00 0.00 C ATOM 140 OD1 ASN A 9 -12.927 13.242 6.331 1.00 0.00 O ATOM 141 ND2 ASN A 9 -11.808 13.321 4.394 1.00 0.00 N ATOM 0 H ASN A 9 -9.245 12.519 5.114 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.496 12.092 7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.122 10.959 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.123 10.776 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.259 14.194 4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.124 12.885 3.776 1.00 0.00 H new ATOM 148 N ASP A 10 -9.647 9.872 8.319 1.00 0.00 N ATOM 149 CA ASP A 10 -9.156 8.575 8.744 1.00 0.00 C ATOM 150 C ASP A 10 -10.175 7.493 8.410 1.00 0.00 C ATOM 151 O ASP A 10 -11.259 7.435 8.990 1.00 0.00 O ATOM 152 CB ASP A 10 -8.833 8.585 10.245 1.00 0.00 C ATOM 153 CG ASP A 10 -9.948 9.170 11.094 1.00 0.00 C ATOM 154 OD1 ASP A 10 -10.175 10.399 11.018 1.00 0.00 O ATOM 155 OD2 ASP A 10 -10.586 8.411 11.858 1.00 0.00 O ATOM 0 H ASP A 10 -10.050 10.434 9.068 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.234 8.355 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.632 7.565 10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.921 9.158 10.410 1.00 0.00 H new ATOM 160 N VAL A 11 -9.834 6.655 7.446 1.00 0.00 N ATOM 161 CA VAL A 11 -10.732 5.609 6.994 1.00 0.00 C ATOM 162 C VAL A 11 -10.291 4.261 7.539 1.00 0.00 C ATOM 163 O VAL A 11 -9.192 3.787 7.237 1.00 0.00 O ATOM 164 CB VAL A 11 -10.795 5.542 5.452 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.793 4.485 4.994 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.150 6.903 4.871 1.00 0.00 C ATOM 0 H VAL A 11 -8.937 6.680 6.960 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.727 5.849 7.370 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.809 5.258 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.819 4.457 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.490 3.510 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.784 4.731 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.190 6.835 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.122 7.218 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.393 7.631 5.162 1.00 0.00 H new ATOM 176 N LYS A 12 -11.138 3.664 8.365 1.00 0.00 N ATOM 177 CA LYS A 12 -10.856 2.355 8.934 1.00 0.00 C ATOM 178 C LYS A 12 -10.888 1.298 7.842 1.00 0.00 C ATOM 179 O LYS A 12 -11.855 1.212 7.081 1.00 0.00 O ATOM 180 CB LYS A 12 -11.881 2.014 10.016 1.00 0.00 C ATOM 181 CG LYS A 12 -12.011 3.083 11.081 1.00 0.00 C ATOM 182 CD LYS A 12 -13.048 2.710 12.125 1.00 0.00 C ATOM 183 CE LYS A 12 -13.253 3.834 13.127 1.00 0.00 C ATOM 184 NZ LYS A 12 -11.974 4.251 13.762 1.00 0.00 N ATOM 0 H LYS A 12 -12.029 4.067 8.656 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.864 2.376 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.853 1.858 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.600 1.073 10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.046 3.235 11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.287 4.029 10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.994 2.480 11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.732 1.807 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.705 4.690 12.625 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.952 3.510 13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.174 4.881 14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.464 3.410 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.388 4.754 13.065 1.00 0.00 H new ATOM 198 N TRP A 13 -9.842 0.497 7.760 1.00 0.00 N ATOM 199 CA TRP A 13 -9.750 -0.490 6.705 1.00 0.00 C ATOM 200 C TRP A 13 -10.385 -1.798 7.154 1.00 0.00 C ATOM 201 O TRP A 13 -9.810 -2.538 7.955 1.00 0.00 O ATOM 202 CB TRP A 13 -8.296 -0.710 6.297 1.00 0.00 C ATOM 203 CG TRP A 13 -8.140 -0.942 4.827 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.120 -1.298 3.947 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.937 -0.829 4.062 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.601 -1.410 2.684 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.263 -1.128 2.727 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.616 -0.503 4.376 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.317 -1.110 1.708 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.678 -0.487 3.364 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.032 -0.788 2.044 1.00 0.00 C ATOM 0 H TRP A 13 -9.052 0.511 8.405 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.293 -0.120 5.835 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.705 0.158 6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.895 -1.566 6.841 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.154 -1.467 4.208 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.127 -1.663 1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.334 -0.268 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.588 -1.342 0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.653 -0.238 3.595 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.274 -0.765 1.275 1.00 0.00 H new ATOM 222 N GLU A 14 -11.585 -2.055 6.644 1.00 0.00 N ATOM 223 CA GLU A 14 -12.341 -3.249 6.997 1.00 0.00 C ATOM 224 C GLU A 14 -11.619 -4.494 6.506 1.00 0.00 C ATOM 225 O GLU A 14 -11.393 -5.439 7.262 1.00 0.00 O ATOM 226 CB GLU A 14 -13.741 -3.180 6.387 1.00 0.00 C ATOM 227 CG GLU A 14 -14.628 -4.359 6.751 1.00 0.00 C ATOM 228 CD GLU A 14 -15.976 -4.295 6.072 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.886 -3.623 6.604 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.133 -4.914 5.000 1.00 0.00 O ATOM 0 H GLU A 14 -12.058 -1.444 5.978 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.429 -3.301 8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.224 -2.259 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.652 -3.126 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.128 -5.287 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.769 -4.384 7.832 1.00 0.00 H new ATOM 237 N LYS A 15 -11.268 -4.485 5.230 1.00 0.00 N ATOM 238 CA LYS A 15 -10.471 -5.547 4.643 1.00 0.00 C ATOM 239 C LYS A 15 -9.110 -4.983 4.259 1.00 0.00 C ATOM 240 O LYS A 15 -8.895 -4.570 3.120 1.00 0.00 O ATOM 241 CB LYS A 15 -11.183 -6.143 3.424 1.00 0.00 C ATOM 242 CG LYS A 15 -12.562 -6.699 3.745 1.00 0.00 C ATOM 243 CD LYS A 15 -13.287 -7.163 2.492 1.00 0.00 C ATOM 244 CE LYS A 15 -14.696 -7.634 2.812 1.00 0.00 C ATOM 245 NZ LYS A 15 -15.458 -7.994 1.586 1.00 0.00 N ATOM 0 H LYS A 15 -11.526 -3.746 4.577 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.336 -6.350 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.278 -5.375 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.567 -6.938 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.465 -7.534 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.155 -5.934 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.329 -6.347 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.728 -7.973 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.647 -8.498 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.227 -6.849 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.418 -8.293 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.513 -7.168 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.976 -8.773 1.094 1.00 0.00 H new ATOM 259 N PRO A 16 -8.184 -4.935 5.225 1.00 0.00 N ATOM 260 CA PRO A 16 -6.912 -4.239 5.071 1.00 0.00 C ATOM 261 C PRO A 16 -5.857 -5.071 4.365 1.00 0.00 C ATOM 262 O PRO A 16 -6.131 -6.166 3.876 1.00 0.00 O ATOM 263 CB PRO A 16 -6.504 -3.981 6.516 1.00 0.00 C ATOM 264 CG PRO A 16 -7.045 -5.144 7.273 1.00 0.00 C ATOM 265 CD PRO A 16 -8.298 -5.574 6.551 1.00 0.00 C ATOM 0 HA PRO A 16 -7.007 -3.344 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.421 -3.912 6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.918 -3.042 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.319 -5.956 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.266 -4.868 8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.358 -6.659 6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.194 -5.245 7.077 1.00 0.00 H new ATOM 273 N VAL A 17 -4.647 -4.540 4.319 1.00 0.00 N ATOM 274 CA VAL A 17 -3.539 -5.235 3.700 1.00 0.00 C ATOM 275 C VAL A 17 -2.497 -5.610 4.740 1.00 0.00 C ATOM 276 O VAL A 17 -1.968 -4.749 5.447 1.00 0.00 O ATOM 277 CB VAL A 17 -2.869 -4.383 2.598 1.00 0.00 C ATOM 278 CG1 VAL A 17 -1.690 -5.122 1.981 1.00 0.00 C ATOM 279 CG2 VAL A 17 -3.878 -4.006 1.527 1.00 0.00 C ATOM 0 H VAL A 17 -4.410 -3.626 4.705 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.945 -6.136 3.241 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.494 -3.469 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.236 -4.502 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.952 -5.339 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.037 -6.056 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.388 -3.406 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.285 -4.911 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.687 -3.430 1.976 1.00 0.00 H new ATOM 289 N THR A 18 -2.245 -6.898 4.855 1.00 0.00 N ATOM 290 CA THR A 18 -1.140 -7.392 5.646 1.00 0.00 C ATOM 291 C THR A 18 0.096 -7.458 4.761 1.00 0.00 C ATOM 292 O THR A 18 0.306 -8.424 4.028 1.00 0.00 O ATOM 293 CB THR A 18 -1.471 -8.775 6.236 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.747 -8.708 6.892 1.00 0.00 O ATOM 295 CG2 THR A 18 -0.408 -9.217 7.229 1.00 0.00 C ATOM 0 H THR A 18 -2.798 -7.627 4.405 1.00 0.00 H new ATOM 0 HA THR A 18 -0.953 -6.719 6.482 1.00 0.00 H new ATOM 0 HB THR A 18 -1.500 -9.504 5.426 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.987 -9.595 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.669 -10.197 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.558 -9.275 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.350 -8.496 8.044 1.00 0.00 H new ATOM 303 N ILE A 19 0.894 -6.404 4.809 1.00 0.00 N ATOM 304 CA ILE A 19 1.994 -6.247 3.882 1.00 0.00 C ATOM 305 C ILE A 19 3.242 -6.907 4.436 1.00 0.00 C ATOM 306 O ILE A 19 3.800 -6.483 5.449 1.00 0.00 O ATOM 307 CB ILE A 19 2.261 -4.753 3.549 1.00 0.00 C ATOM 308 CG1 ILE A 19 3.464 -4.612 2.614 1.00 0.00 C ATOM 309 CG2 ILE A 19 2.471 -3.931 4.813 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.708 -3.192 2.154 1.00 0.00 C ATOM 0 H ILE A 19 0.797 -5.645 5.483 1.00 0.00 H new ATOM 0 HA ILE A 19 1.718 -6.739 2.950 1.00 0.00 H new ATOM 0 HB ILE A 19 1.378 -4.366 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.355 -4.978 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.312 -5.247 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.655 -2.891 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.581 -3.992 5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.328 -4.321 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.576 -3.167 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.833 -2.828 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.892 -2.556 3.020 1.00 0.00 H new ATOM 322 N SER A 20 3.646 -7.981 3.794 1.00 0.00 N ATOM 323 CA SER A 20 4.816 -8.709 4.215 1.00 0.00 C ATOM 324 C SER A 20 6.064 -8.056 3.639 1.00 0.00 C ATOM 325 O SER A 20 6.384 -8.238 2.464 1.00 0.00 O ATOM 326 CB SER A 20 4.715 -10.165 3.765 1.00 0.00 C ATOM 327 OG SER A 20 3.496 -10.749 4.202 1.00 0.00 O ATOM 0 H SER A 20 3.177 -8.368 2.975 1.00 0.00 H new ATOM 0 HA SER A 20 4.881 -8.688 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.779 -10.219 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.557 -10.732 4.163 1.00 0.00 H new ATOM 0 HG SER A 20 3.453 -11.681 3.901 1.00 0.00 H new ATOM 333 N LEU A 21 6.740 -7.263 4.463 1.00 0.00 N ATOM 334 CA LEU A 21 7.964 -6.597 4.050 1.00 0.00 C ATOM 335 C LEU A 21 9.025 -7.625 3.687 1.00 0.00 C ATOM 336 O LEU A 21 8.995 -8.757 4.175 1.00 0.00 O ATOM 337 CB LEU A 21 8.499 -5.678 5.158 1.00 0.00 C ATOM 338 CG LEU A 21 7.793 -4.324 5.320 1.00 0.00 C ATOM 339 CD1 LEU A 21 6.363 -4.496 5.808 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.577 -3.437 6.276 1.00 0.00 C ATOM 0 H LEU A 21 6.458 -7.067 5.423 1.00 0.00 H new ATOM 0 HA LEU A 21 7.732 -5.987 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.435 -6.212 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.556 -5.492 4.967 1.00 0.00 H new ATOM 0 HG LEU A 21 7.753 -3.846 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.894 -3.518 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.802 -5.093 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.366 -5.001 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.068 -2.479 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.646 -3.923 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.579 -3.273 5.881 1.00 0.00 H new ATOM 352 N GLN A 22 9.974 -7.215 2.852 1.00 0.00 N ATOM 353 CA GLN A 22 11.058 -8.091 2.409 1.00 0.00 C ATOM 354 C GLN A 22 11.895 -8.577 3.593 1.00 0.00 C ATOM 355 O GLN A 22 12.660 -9.534 3.477 1.00 0.00 O ATOM 356 CB GLN A 22 11.944 -7.351 1.407 1.00 0.00 C ATOM 357 CG GLN A 22 11.215 -6.948 0.132 1.00 0.00 C ATOM 358 CD GLN A 22 12.042 -6.032 -0.749 1.00 0.00 C ATOM 359 OE1 GLN A 22 12.853 -5.247 -0.260 1.00 0.00 O ATOM 360 NE2 GLN A 22 11.842 -6.121 -2.054 1.00 0.00 N ATOM 0 H GLN A 22 10.016 -6.273 2.464 1.00 0.00 H new ATOM 0 HA GLN A 22 10.618 -8.964 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.348 -6.457 1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.792 -7.985 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.951 -7.844 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.282 -6.449 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.160 -6.785 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.370 -5.526 -2.693 1.00 0.00 H new ATOM 369 N ASN A 23 11.726 -7.912 4.730 1.00 0.00 N ATOM 370 CA ASN A 23 12.425 -8.267 5.962 1.00 0.00 C ATOM 371 C ASN A 23 11.728 -9.422 6.673 1.00 0.00 C ATOM 372 O ASN A 23 12.110 -9.799 7.779 1.00 0.00 O ATOM 373 CB ASN A 23 12.478 -7.058 6.897 1.00 0.00 C ATOM 374 CG ASN A 23 13.275 -5.905 6.322 1.00 0.00 C ATOM 375 OD1 ASN A 23 12.755 -5.110 5.542 1.00 0.00 O ATOM 376 ND2 ASN A 23 14.531 -5.794 6.719 1.00 0.00 N ATOM 0 H ASN A 23 11.101 -7.112 4.825 1.00 0.00 H new ATOM 0 HA ASN A 23 13.436 -8.577 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.462 -6.722 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.918 -7.359 7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.108 -5.026 6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.923 -6.476 7.368 1.00 0.00 H new ATOM 383 N GLY A 24 10.693 -9.965 6.040 1.00 0.00 N ATOM 384 CA GLY A 24 9.961 -11.074 6.620 1.00 0.00 C ATOM 385 C GLY A 24 9.031 -10.629 7.727 1.00 0.00 C ATOM 386 O GLY A 24 8.860 -11.332 8.726 1.00 0.00 O ATOM 0 H GLY A 24 10.348 -9.654 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.384 -11.573 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.666 -11.807 7.013 1.00 0.00 H new ATOM 390 N ALA A 25 8.424 -9.465 7.549 1.00 0.00 N ATOM 391 CA ALA A 25 7.550 -8.898 8.565 1.00 0.00 C ATOM 392 C ALA A 25 6.247 -8.394 7.952 1.00 0.00 C ATOM 393 O ALA A 25 6.241 -7.415 7.208 1.00 0.00 O ATOM 394 CB ALA A 25 8.260 -7.769 9.297 1.00 0.00 C ATOM 0 H ALA A 25 8.521 -8.894 6.709 1.00 0.00 H new ATOM 0 HA ALA A 25 7.304 -9.685 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.596 -7.353 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.160 -8.155 9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.533 -6.989 8.586 1.00 0.00 H new ATOM 400 N PRO A 26 5.134 -9.084 8.227 1.00 0.00 N ATOM 401 CA PRO A 26 3.805 -8.672 7.777 1.00 0.00 C ATOM 402 C PRO A 26 3.210 -7.585 8.667 1.00 0.00 C ATOM 403 O PRO A 26 2.913 -7.822 9.840 1.00 0.00 O ATOM 404 CB PRO A 26 2.969 -9.960 7.876 1.00 0.00 C ATOM 405 CG PRO A 26 3.908 -11.034 8.331 1.00 0.00 C ATOM 406 CD PRO A 26 5.070 -10.339 8.979 1.00 0.00 C ATOM 0 HA PRO A 26 3.831 -8.246 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.147 -9.837 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.527 -10.212 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.417 -11.706 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.240 -11.641 7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.902 -10.169 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 26 5.991 -10.915 8.890 1.00 0.00 H new ATOM 414 N ARG A 27 3.059 -6.392 8.115 1.00 0.00 N ATOM 415 CA ARG A 27 2.434 -5.295 8.838 1.00 0.00 C ATOM 416 C ARG A 27 0.967 -5.174 8.452 1.00 0.00 C ATOM 417 O ARG A 27 0.636 -4.999 7.279 1.00 0.00 O ATOM 418 CB ARG A 27 3.154 -3.971 8.572 1.00 0.00 C ATOM 419 CG ARG A 27 4.542 -3.896 9.182 1.00 0.00 C ATOM 420 CD ARG A 27 5.135 -2.503 9.041 1.00 0.00 C ATOM 421 NE ARG A 27 6.456 -2.408 9.658 1.00 0.00 N ATOM 422 CZ ARG A 27 7.019 -1.268 10.051 1.00 0.00 C ATOM 423 NH1 ARG A 27 6.370 -0.116 9.920 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.231 -1.284 10.592 1.00 0.00 N ATOM 0 H ARG A 27 3.360 -6.158 7.169 1.00 0.00 H new ATOM 0 HA ARG A 27 2.508 -5.515 9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.232 -3.820 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.550 -3.154 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.493 -4.167 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.194 -4.622 8.696 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.208 -2.245 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.466 -1.776 9.501 1.00 0.00 H new ATOM 0 HE ARG A 27 6.981 -3.272 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.434 -0.101 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.808 0.754 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.727 -2.168 10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.666 -0.412 10.894 1.00 0.00 H new ATOM 438 N ILE A 28 0.097 -5.298 9.440 1.00 0.00 N ATOM 439 CA ILE A 28 -1.333 -5.169 9.216 1.00 0.00 C ATOM 440 C ILE A 28 -1.761 -3.713 9.359 1.00 0.00 C ATOM 441 O ILE A 28 -1.588 -3.104 10.418 1.00 0.00 O ATOM 442 CB ILE A 28 -2.142 -6.039 10.206 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.705 -7.501 10.103 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.636 -5.906 9.937 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.424 -8.427 11.063 1.00 0.00 C ATOM 0 H ILE A 28 0.357 -5.488 10.408 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.538 -5.515 8.203 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.945 -5.688 11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.873 -7.849 9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.633 -7.563 10.288 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.189 -6.525 10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.936 -4.865 10.055 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.853 -6.233 8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.059 -9.445 10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.236 -8.106 12.088 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.495 -8.397 10.864 1.00 0.00 H new ATOM 457 N PHE A 29 -2.295 -3.152 8.286 1.00 0.00 N ATOM 458 CA PHE A 29 -2.787 -1.784 8.321 1.00 0.00 C ATOM 459 C PHE A 29 -4.145 -1.723 9.011 1.00 0.00 C ATOM 460 O PHE A 29 -5.057 -2.473 8.674 1.00 0.00 O ATOM 461 CB PHE A 29 -2.889 -1.203 6.909 1.00 0.00 C ATOM 462 CG PHE A 29 -1.567 -1.082 6.205 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.524 -0.371 6.779 1.00 0.00 C ATOM 464 CD2 PHE A 29 -1.369 -1.676 4.970 1.00 0.00 C ATOM 465 CE1 PHE A 29 0.689 -0.252 6.131 1.00 0.00 C ATOM 466 CE2 PHE A 29 -0.157 -1.559 4.318 1.00 0.00 C ATOM 467 CZ PHE A 29 0.875 -0.850 4.901 1.00 0.00 C ATOM 0 H PHE A 29 -2.399 -3.619 7.385 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.075 -1.185 8.889 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.550 -1.833 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.352 -0.218 6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.662 0.095 7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.170 -2.237 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.492 0.309 6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.016 -2.022 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.825 -0.764 4.396 1.00 0.00 H new ATOM 477 N ASN A 30 -4.270 -0.833 9.978 1.00 0.00 N ATOM 478 CA ASN A 30 -5.511 -0.679 10.726 1.00 0.00 C ATOM 479 C ASN A 30 -6.442 0.274 9.997 1.00 0.00 C ATOM 480 O ASN A 30 -7.667 0.183 10.104 1.00 0.00 O ATOM 481 CB ASN A 30 -5.219 -0.160 12.136 1.00 0.00 C ATOM 482 CG ASN A 30 -4.336 -1.105 12.926 1.00 0.00 C ATOM 483 OD1 ASN A 30 -4.822 -1.992 13.630 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.028 -0.928 12.808 1.00 0.00 N ATOM 0 H ASN A 30 -3.524 -0.201 10.268 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.996 -1.652 10.808 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.736 0.815 12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.159 -0.014 12.669 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.383 -1.538 13.310 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.666 -0.182 12.215 1.00 0.00 H new ATOM 491 N GLY A 31 -5.846 1.173 9.233 1.00 0.00 N ATOM 492 CA GLY A 31 -6.607 2.130 8.470 1.00 0.00 C ATOM 493 C GLY A 31 -5.917 2.451 7.168 1.00 0.00 C ATOM 494 O GLY A 31 -4.729 2.165 7.010 1.00 0.00 O ATOM 0 H GLY A 31 -4.835 1.255 9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.602 1.733 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.738 3.043 9.051 1.00 0.00 H new ATOM 498 N VAL A 32 -6.648 3.049 6.242 1.00 0.00 N ATOM 499 CA VAL A 32 -6.104 3.351 4.927 1.00 0.00 C ATOM 500 C VAL A 32 -5.025 4.428 5.019 1.00 0.00 C ATOM 501 O VAL A 32 -4.074 4.438 4.236 1.00 0.00 O ATOM 502 CB VAL A 32 -7.208 3.805 3.948 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.648 3.959 2.545 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.370 2.821 3.952 1.00 0.00 C ATOM 0 H VAL A 32 -7.618 3.335 6.375 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.660 2.432 4.544 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.579 4.775 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.441 4.280 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.853 4.705 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.247 3.004 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.137 3.160 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.014 1.836 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.792 2.761 4.955 1.00 0.00 H new ATOM 514 N TYR A 33 -5.155 5.319 5.997 1.00 0.00 N ATOM 515 CA TYR A 33 -4.177 6.386 6.174 1.00 0.00 C ATOM 516 C TYR A 33 -2.835 5.806 6.591 1.00 0.00 C ATOM 517 O TYR A 33 -1.784 6.275 6.158 1.00 0.00 O ATOM 518 CB TYR A 33 -4.646 7.411 7.212 1.00 0.00 C ATOM 519 CG TYR A 33 -3.695 8.580 7.357 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.836 9.709 6.564 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.644 8.545 8.268 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.961 10.769 6.671 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.766 9.605 8.382 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.929 10.714 7.580 1.00 0.00 C ATOM 525 OH TYR A 33 -1.053 11.770 7.680 1.00 0.00 O ATOM 0 H TYR A 33 -5.919 5.324 6.672 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.069 6.898 5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.631 7.783 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.757 6.918 8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.645 9.759 5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.513 7.676 8.895 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.085 11.639 6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.956 9.565 9.096 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.383 11.575 8.368 1.00 0.00 H new ATOM 535 N GLU A 34 -2.882 4.774 7.425 1.00 0.00 N ATOM 536 CA GLU A 34 -1.675 4.117 7.903 1.00 0.00 C ATOM 537 C GLU A 34 -0.894 3.530 6.731 1.00 0.00 C ATOM 538 O GLU A 34 0.336 3.560 6.715 1.00 0.00 O ATOM 539 CB GLU A 34 -2.045 3.028 8.912 1.00 0.00 C ATOM 540 CG GLU A 34 -0.853 2.294 9.500 1.00 0.00 C ATOM 541 CD GLU A 34 -1.239 1.413 10.669 1.00 0.00 C ATOM 542 OE1 GLU A 34 -2.346 0.842 10.653 1.00 0.00 O ATOM 543 OE2 GLU A 34 -0.445 1.304 11.624 1.00 0.00 O ATOM 0 H GLU A 34 -3.748 4.374 7.785 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.039 4.850 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.616 3.479 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.699 2.305 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.388 1.683 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.107 3.019 9.825 1.00 0.00 H new ATOM 550 N ALA A 35 -1.618 3.017 5.747 1.00 0.00 N ATOM 551 CA ALA A 35 -1.002 2.493 4.539 1.00 0.00 C ATOM 552 C ALA A 35 -0.361 3.616 3.733 1.00 0.00 C ATOM 553 O ALA A 35 0.803 3.528 3.341 1.00 0.00 O ATOM 554 CB ALA A 35 -2.032 1.762 3.698 1.00 0.00 C ATOM 0 H ALA A 35 -2.636 2.953 5.763 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.222 1.789 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.557 1.375 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.450 0.935 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.830 2.451 3.421 1.00 0.00 H new ATOM 560 N PHE A 36 -1.132 4.674 3.508 1.00 0.00 N ATOM 561 CA PHE A 36 -0.661 5.847 2.776 1.00 0.00 C ATOM 562 C PHE A 36 0.597 6.424 3.422 1.00 0.00 C ATOM 563 O PHE A 36 1.573 6.742 2.738 1.00 0.00 O ATOM 564 CB PHE A 36 -1.771 6.904 2.737 1.00 0.00 C ATOM 565 CG PHE A 36 -1.396 8.175 2.025 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.339 8.221 0.640 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.103 9.325 2.741 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.996 9.388 -0.016 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.760 10.496 2.091 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.707 10.527 0.711 1.00 0.00 C ATOM 0 H PHE A 36 -2.099 4.744 3.826 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.409 5.548 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.647 6.475 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.060 7.147 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.565 7.334 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.143 9.306 3.820 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.954 9.410 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.534 11.385 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.440 11.441 0.201 1.00 0.00 H new ATOM 580 N ASP A 37 0.565 6.545 4.742 1.00 0.00 N ATOM 581 CA ASP A 37 1.687 7.081 5.500 1.00 0.00 C ATOM 582 C ASP A 37 2.904 6.163 5.401 1.00 0.00 C ATOM 583 O ASP A 37 4.022 6.629 5.183 1.00 0.00 O ATOM 584 CB ASP A 37 1.284 7.281 6.964 1.00 0.00 C ATOM 585 CG ASP A 37 2.443 7.718 7.836 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.838 8.903 7.772 1.00 0.00 O ATOM 587 OD2 ASP A 37 2.959 6.877 8.600 1.00 0.00 O ATOM 0 H ASP A 37 -0.235 6.276 5.315 1.00 0.00 H new ATOM 0 HA ASP A 37 1.960 8.046 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.492 8.027 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.873 6.350 7.354 1.00 0.00 H new ATOM 592 N PHE A 38 2.680 4.858 5.537 1.00 0.00 N ATOM 593 CA PHE A 38 3.765 3.878 5.467 1.00 0.00 C ATOM 594 C PHE A 38 4.482 3.946 4.121 1.00 0.00 C ATOM 595 O PHE A 38 5.706 3.807 4.049 1.00 0.00 O ATOM 596 CB PHE A 38 3.229 2.461 5.707 1.00 0.00 C ATOM 597 CG PHE A 38 4.292 1.396 5.651 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.320 1.378 6.579 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.263 0.413 4.671 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.299 0.405 6.532 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.240 -0.562 4.621 1.00 0.00 C ATOM 602 CZ PHE A 38 6.258 -0.565 5.552 1.00 0.00 C ATOM 0 H PHE A 38 1.757 4.453 5.696 1.00 0.00 H new ATOM 0 HA PHE A 38 4.483 4.121 6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.743 2.426 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.465 2.240 4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.356 2.134 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.468 0.411 3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.095 0.404 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.207 -1.321 3.854 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.023 -1.327 5.514 1.00 0.00 H new ATOM 612 N LEU A 39 3.715 4.184 3.063 1.00 0.00 N ATOM 613 CA LEU A 39 4.265 4.277 1.715 1.00 0.00 C ATOM 614 C LEU A 39 5.209 5.466 1.587 1.00 0.00 C ATOM 615 O LEU A 39 6.156 5.440 0.798 1.00 0.00 O ATOM 616 CB LEU A 39 3.137 4.404 0.693 1.00 0.00 C ATOM 617 CG LEU A 39 2.164 3.229 0.661 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.055 3.484 -0.346 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.902 1.942 0.338 1.00 0.00 C ATOM 0 H LEU A 39 2.705 4.317 3.113 1.00 0.00 H new ATOM 0 HA LEU A 39 4.830 3.366 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.577 5.315 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.576 4.521 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 39 1.710 3.125 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.370 2.636 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.511 4.387 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.487 3.613 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.195 1.112 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.382 2.033 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.659 1.756 1.100 1.00 0.00 H new ATOM 631 N GLN A 40 4.941 6.507 2.362 1.00 0.00 N ATOM 632 CA GLN A 40 5.783 7.695 2.363 1.00 0.00 C ATOM 633 C GLN A 40 6.975 7.507 3.292 1.00 0.00 C ATOM 634 O GLN A 40 7.996 8.184 3.157 1.00 0.00 O ATOM 635 CB GLN A 40 4.977 8.921 2.793 1.00 0.00 C ATOM 636 CG GLN A 40 3.850 9.284 1.840 1.00 0.00 C ATOM 637 CD GLN A 40 3.036 10.472 2.322 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.872 10.685 3.527 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.544 11.272 1.390 1.00 0.00 N ATOM 0 H GLN A 40 4.146 6.553 2.999 1.00 0.00 H new ATOM 0 HA GLN A 40 6.150 7.852 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.558 8.739 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.651 9.773 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.268 9.509 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.192 8.424 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.700 11.063 0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.008 12.098 1.658 1.00 0.00 H new ATOM 648 N HIS A 41 6.841 6.584 4.234 1.00 0.00 N ATOM 649 CA HIS A 41 7.908 6.299 5.180 1.00 0.00 C ATOM 650 C HIS A 41 8.978 5.423 4.544 1.00 0.00 C ATOM 651 O HIS A 41 10.061 5.905 4.215 1.00 0.00 O ATOM 652 CB HIS A 41 7.360 5.621 6.440 1.00 0.00 C ATOM 653 CG HIS A 41 6.676 6.556 7.388 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.667 6.367 8.749 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.965 7.686 7.166 1.00 0.00 C ATOM 656 CE1 HIS A 41 5.980 7.336 9.322 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.538 8.153 8.384 1.00 0.00 N ATOM 0 H HIS A 41 6.001 6.019 4.363 1.00 0.00 H new ATOM 0 HA HIS A 41 8.358 7.250 5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.657 4.842 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.181 5.128 6.961 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.769 8.138 6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.808 7.443 10.383 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.975 8.989 8.538 1.00 0.00 H new ATOM 666 N GLU A 42 8.666 4.143 4.359 1.00 0.00 N ATOM 667 CA GLU A 42 9.633 3.193 3.822 1.00 0.00 C ATOM 668 C GLU A 42 8.958 2.130 2.966 1.00 0.00 C ATOM 669 O GLU A 42 8.754 0.999 3.404 1.00 0.00 O ATOM 670 CB GLU A 42 10.431 2.525 4.948 1.00 0.00 C ATOM 671 CG GLU A 42 11.476 3.429 5.578 1.00 0.00 C ATOM 672 CD GLU A 42 12.181 2.780 6.748 1.00 0.00 C ATOM 673 OE1 GLU A 42 13.053 1.915 6.521 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.875 3.137 7.902 1.00 0.00 O ATOM 0 H GLU A 42 7.753 3.741 4.573 1.00 0.00 H new ATOM 0 HA GLU A 42 10.319 3.757 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.740 2.190 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.923 1.636 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.213 3.706 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.999 4.351 5.912 1.00 0.00 H new ATOM 681 N TRP A 43 8.577 2.512 1.760 1.00 0.00 N ATOM 682 CA TRP A 43 8.104 1.552 0.778 1.00 0.00 C ATOM 683 C TRP A 43 9.302 0.982 0.017 1.00 0.00 C ATOM 684 O TRP A 43 10.114 1.744 -0.510 1.00 0.00 O ATOM 685 CB TRP A 43 7.100 2.217 -0.173 1.00 0.00 C ATOM 686 CG TRP A 43 6.715 1.377 -1.355 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.105 1.575 -2.646 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.871 0.216 -1.366 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.558 0.617 -3.460 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.798 -0.231 -2.700 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.172 -0.491 -0.383 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.057 -1.349 -3.075 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.437 -1.600 -0.759 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.385 -2.019 -2.093 1.00 0.00 C ATOM 0 H TRP A 43 8.586 3.479 1.437 1.00 0.00 H new ATOM 0 HA TRP A 43 7.588 0.733 1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.199 2.469 0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.524 3.155 -0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.752 2.372 -2.980 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.695 0.547 -4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.206 -0.177 0.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.015 -1.674 -4.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.892 -2.154 -0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.801 -2.890 -2.351 1.00 0.00 H new ATOM 705 N PRO A 44 9.430 -0.363 -0.019 1.00 0.00 N ATOM 706 CA PRO A 44 10.565 -1.070 -0.629 1.00 0.00 C ATOM 707 C PRO A 44 11.127 -0.401 -1.886 1.00 0.00 C ATOM 708 O PRO A 44 12.294 -0.009 -1.916 1.00 0.00 O ATOM 709 CB PRO A 44 9.957 -2.428 -0.969 1.00 0.00 C ATOM 710 CG PRO A 44 8.958 -2.672 0.111 1.00 0.00 C ATOM 711 CD PRO A 44 8.462 -1.317 0.562 1.00 0.00 C ATOM 0 HA PRO A 44 11.423 -1.100 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.485 -2.416 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.717 -3.209 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.133 -3.283 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.411 -3.214 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.450 -1.124 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.435 -1.245 1.649 1.00 0.00 H new ATOM 719 N ALA A 45 10.303 -0.260 -2.915 1.00 0.00 N ATOM 720 CA ALA A 45 10.758 0.327 -4.169 1.00 0.00 C ATOM 721 C ALA A 45 10.033 1.637 -4.459 1.00 0.00 C ATOM 722 O ALA A 45 8.939 1.643 -5.021 1.00 0.00 O ATOM 723 CB ALA A 45 10.566 -0.656 -5.316 1.00 0.00 C ATOM 0 H ALA A 45 9.323 -0.542 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 45 11.821 0.547 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.911 -0.203 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.140 -1.561 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.510 -0.909 -5.406 1.00 0.00 H new ATOM 729 N ARG A 46 10.638 2.744 -4.057 1.00 0.00 N ATOM 730 CA ARG A 46 10.042 4.057 -4.260 1.00 0.00 C ATOM 731 C ARG A 46 10.613 4.732 -5.501 1.00 0.00 C ATOM 732 O ARG A 46 11.796 4.592 -5.806 1.00 0.00 O ATOM 733 CB ARG A 46 10.264 4.940 -3.031 1.00 0.00 C ATOM 734 CG ARG A 46 9.435 4.525 -1.829 1.00 0.00 C ATOM 735 CD ARG A 46 9.763 5.357 -0.602 1.00 0.00 C ATOM 736 NE ARG A 46 11.110 5.091 -0.100 1.00 0.00 N ATOM 737 CZ ARG A 46 11.682 5.772 0.891 1.00 0.00 C ATOM 738 NH1 ARG A 46 11.046 6.792 1.455 1.00 0.00 N ATOM 739 NH2 ARG A 46 12.890 5.439 1.322 1.00 0.00 N ATOM 0 H ARG A 46 11.543 2.760 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 46 8.971 3.920 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.320 4.914 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.026 5.972 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.376 4.628 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.612 3.472 -1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.670 6.415 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.036 5.147 0.183 1.00 0.00 H new ATOM 0 HE ARG A 46 11.644 4.339 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.116 7.056 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.487 7.311 2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.387 4.657 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.323 5.964 2.081 1.00 0.00 H new ATOM 753 N GLY A 47 9.765 5.461 -6.214 1.00 0.00 N ATOM 754 CA GLY A 47 10.209 6.174 -7.393 1.00 0.00 C ATOM 755 C GLY A 47 9.402 5.829 -8.627 1.00 0.00 C ATOM 756 O GLY A 47 9.186 6.678 -9.490 1.00 0.00 O ATOM 0 H GLY A 47 8.775 5.571 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.143 7.246 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.259 5.946 -7.576 1.00 0.00 H new ATOM 760 N ASP A 48 8.934 4.592 -8.704 1.00 0.00 N ATOM 761 CA ASP A 48 8.240 4.117 -9.896 1.00 0.00 C ATOM 762 C ASP A 48 6.732 4.363 -9.799 1.00 0.00 C ATOM 763 O ASP A 48 6.241 5.027 -8.871 1.00 0.00 O ATOM 764 CB ASP A 48 8.519 2.625 -10.111 1.00 0.00 C ATOM 765 CG ASP A 48 8.445 2.211 -11.573 1.00 0.00 C ATOM 766 OD1 ASP A 48 7.325 1.972 -12.080 1.00 0.00 O ATOM 767 OD2 ASP A 48 9.510 2.113 -12.217 1.00 0.00 O ATOM 0 H ASP A 48 9.021 3.900 -7.960 1.00 0.00 H new ATOM 0 HA ASP A 48 8.618 4.679 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.508 2.386 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.800 2.040 -9.537 1.00 0.00 H new ATOM 772 N ARG A 49 6.007 3.811 -10.762 1.00 0.00 N ATOM 773 CA ARG A 49 4.569 3.998 -10.884 1.00 0.00 C ATOM 774 C ARG A 49 3.836 3.290 -9.754 1.00 0.00 C ATOM 775 O ARG A 49 2.798 3.759 -9.291 1.00 0.00 O ATOM 776 CB ARG A 49 4.098 3.442 -12.228 1.00 0.00 C ATOM 777 CG ARG A 49 4.884 3.976 -13.412 1.00 0.00 C ATOM 778 CD ARG A 49 4.751 3.063 -14.620 1.00 0.00 C ATOM 779 NE ARG A 49 5.603 3.492 -15.728 1.00 0.00 N ATOM 780 CZ ARG A 49 6.874 3.111 -15.885 1.00 0.00 C ATOM 781 NH1 ARG A 49 7.447 2.314 -14.993 1.00 0.00 N ATOM 782 NH2 ARG A 49 7.575 3.534 -16.929 1.00 0.00 N ATOM 0 H ARG A 49 6.405 3.215 -11.488 1.00 0.00 H new ATOM 0 HA ARG A 49 4.348 5.064 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.176 2.355 -12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.044 3.683 -12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.528 4.974 -13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.935 4.072 -13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.013 2.044 -14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.712 3.045 -14.948 1.00 0.00 H new ATOM 0 HE ARG A 49 5.202 4.121 -16.424 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.917 1.990 -14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.417 2.025 -15.116 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.144 4.153 -17.616 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.545 3.241 -17.045 1.00 0.00 H new ATOM 796 N ALA A 50 4.387 2.163 -9.313 1.00 0.00 N ATOM 797 CA ALA A 50 3.774 1.369 -8.254 1.00 0.00 C ATOM 798 C ALA A 50 3.604 2.191 -6.984 1.00 0.00 C ATOM 799 O ALA A 50 2.501 2.300 -6.454 1.00 0.00 O ATOM 800 CB ALA A 50 4.603 0.124 -7.977 1.00 0.00 C ATOM 0 H ALA A 50 5.260 1.778 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 50 2.784 1.061 -8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.132 -0.458 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.666 -0.480 -8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.606 0.416 -7.666 1.00 0.00 H new ATOM 806 N HIS A 51 4.699 2.777 -6.513 1.00 0.00 N ATOM 807 CA HIS A 51 4.664 3.637 -5.335 1.00 0.00 C ATOM 808 C HIS A 51 3.724 4.818 -5.555 1.00 0.00 C ATOM 809 O HIS A 51 2.966 5.188 -4.660 1.00 0.00 O ATOM 810 CB HIS A 51 6.072 4.144 -4.994 1.00 0.00 C ATOM 811 CG HIS A 51 6.114 5.129 -3.861 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.442 6.456 -4.036 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.880 4.973 -2.536 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.415 7.073 -2.868 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.076 6.196 -1.940 1.00 0.00 N ATOM 0 H HIS A 51 5.624 2.672 -6.930 1.00 0.00 H new ATOM 0 HA HIS A 51 4.291 3.046 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.702 3.291 -4.743 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.503 4.609 -5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.593 4.058 -2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.633 8.117 -2.700 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.976 6.394 -0.944 1.00 0.00 H new ATOM 824 N GLU A 52 3.778 5.401 -6.749 1.00 0.00 N ATOM 825 CA GLU A 52 2.965 6.571 -7.065 1.00 0.00 C ATOM 826 C GLU A 52 1.471 6.253 -7.010 1.00 0.00 C ATOM 827 O GLU A 52 0.710 6.924 -6.310 1.00 0.00 O ATOM 828 CB GLU A 52 3.326 7.105 -8.448 1.00 0.00 C ATOM 829 CG GLU A 52 2.559 8.359 -8.826 1.00 0.00 C ATOM 830 CD GLU A 52 2.857 8.813 -10.233 1.00 0.00 C ATOM 831 OE1 GLU A 52 3.991 9.275 -10.482 1.00 0.00 O ATOM 832 OE2 GLU A 52 1.968 8.695 -11.097 1.00 0.00 O ATOM 0 H GLU A 52 4.375 5.083 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 52 3.177 7.330 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.395 7.317 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.132 6.331 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.490 8.172 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.809 9.159 -8.129 1.00 0.00 H new ATOM 839 N GLN A 53 1.054 5.227 -7.743 1.00 0.00 N ATOM 840 CA GLN A 53 -0.358 4.882 -7.827 1.00 0.00 C ATOM 841 C GLN A 53 -0.868 4.342 -6.500 1.00 0.00 C ATOM 842 O GLN A 53 -2.028 4.548 -6.149 1.00 0.00 O ATOM 843 CB GLN A 53 -0.612 3.878 -8.952 1.00 0.00 C ATOM 844 CG GLN A 53 -0.322 4.444 -10.333 1.00 0.00 C ATOM 845 CD GLN A 53 -0.772 3.530 -11.453 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.798 2.306 -11.309 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.131 4.119 -12.580 1.00 0.00 N ATOM 0 H GLN A 53 1.671 4.623 -8.285 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.909 5.794 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.007 2.996 -8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.651 3.550 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.820 5.408 -10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.749 4.626 -10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.095 5.135 -12.658 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.444 3.557 -13.372 1.00 0.00 H new ATOM 856 N ALA A 54 0.003 3.669 -5.755 1.00 0.00 N ATOM 857 CA ALA A 54 -0.351 3.182 -4.428 1.00 0.00 C ATOM 858 C ALA A 54 -0.728 4.348 -3.521 1.00 0.00 C ATOM 859 O ALA A 54 -1.663 4.253 -2.723 1.00 0.00 O ATOM 860 CB ALA A 54 0.796 2.385 -3.826 1.00 0.00 C ATOM 0 H ALA A 54 0.955 3.449 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.213 2.521 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.512 2.030 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.022 1.532 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.678 3.021 -3.745 1.00 0.00 H new ATOM 866 N LEU A 55 -0.005 5.455 -3.666 1.00 0.00 N ATOM 867 CA LEU A 55 -0.313 6.673 -2.931 1.00 0.00 C ATOM 868 C LEU A 55 -1.678 7.206 -3.346 1.00 0.00 C ATOM 869 O LEU A 55 -2.509 7.517 -2.499 1.00 0.00 O ATOM 870 CB LEU A 55 0.753 7.745 -3.174 1.00 0.00 C ATOM 871 CG LEU A 55 2.142 7.432 -2.619 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.127 8.520 -3.020 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.089 7.295 -1.106 1.00 0.00 C ATOM 0 H LEU A 55 0.800 5.531 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.326 6.431 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.839 7.910 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.408 8.681 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 55 2.480 6.485 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.113 8.285 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.183 8.578 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.792 9.478 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.086 7.072 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.734 8.228 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.409 6.486 -0.837 1.00 0.00 H new ATOM 885 N ARG A 56 -1.901 7.292 -4.655 1.00 0.00 N ATOM 886 CA ARG A 56 -3.166 7.786 -5.197 1.00 0.00 C ATOM 887 C ARG A 56 -4.345 6.966 -4.682 1.00 0.00 C ATOM 888 O ARG A 56 -5.359 7.522 -4.263 1.00 0.00 O ATOM 889 CB ARG A 56 -3.137 7.754 -6.728 1.00 0.00 C ATOM 890 CG ARG A 56 -4.458 8.144 -7.373 1.00 0.00 C ATOM 891 CD ARG A 56 -4.372 8.109 -8.890 1.00 0.00 C ATOM 892 NE ARG A 56 -5.662 8.388 -9.519 1.00 0.00 N ATOM 893 CZ ARG A 56 -5.804 9.028 -10.676 1.00 0.00 C ATOM 894 NH1 ARG A 56 -4.745 9.527 -11.303 1.00 0.00 N ATOM 895 NH2 ARG A 56 -7.009 9.187 -11.203 1.00 0.00 N ATOM 0 H ARG A 56 -1.218 7.025 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.294 8.815 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.357 8.428 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.865 6.751 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.242 7.465 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.741 9.145 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.638 8.840 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.017 7.130 -9.210 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.506 8.072 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.815 9.421 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.861 10.017 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.829 8.818 -10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.117 9.678 -12.090 1.00 0.00 H new ATOM 909 N LEU A 57 -4.196 5.648 -4.707 1.00 0.00 N ATOM 910 CA LEU A 57 -5.245 4.741 -4.250 1.00 0.00 C ATOM 911 C LEU A 57 -5.636 5.036 -2.806 1.00 0.00 C ATOM 912 O LEU A 57 -6.818 5.190 -2.492 1.00 0.00 O ATOM 913 CB LEU A 57 -4.773 3.292 -4.384 1.00 0.00 C ATOM 914 CG LEU A 57 -4.459 2.849 -5.813 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.693 1.538 -5.809 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.741 2.715 -6.623 1.00 0.00 C ATOM 0 H LEU A 57 -3.354 5.179 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.126 4.892 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.881 3.157 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.541 2.635 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.834 3.610 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.479 1.239 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.757 1.665 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.293 0.768 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.499 2.399 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.390 1.973 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.253 3.677 -6.655 1.00 0.00 H new ATOM 928 N CYS A 58 -4.640 5.134 -1.936 1.00 0.00 N ATOM 929 CA CYS A 58 -4.883 5.411 -0.527 1.00 0.00 C ATOM 930 C CYS A 58 -5.391 6.839 -0.335 1.00 0.00 C ATOM 931 O CYS A 58 -6.315 7.081 0.440 1.00 0.00 O ATOM 932 CB CYS A 58 -3.599 5.197 0.274 1.00 0.00 C ATOM 933 SG CYS A 58 -2.827 3.585 0.007 1.00 0.00 S ATOM 0 H CYS A 58 -3.656 5.026 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.649 4.725 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.885 5.978 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.821 5.311 1.335 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.225 3.578 -1.145 1.00 0.00 H new ATOM 939 N ARG A 59 -4.789 7.772 -1.064 1.00 0.00 N ATOM 940 CA ARG A 59 -5.150 9.184 -0.991 1.00 0.00 C ATOM 941 C ARG A 59 -6.613 9.389 -1.368 1.00 0.00 C ATOM 942 O ARG A 59 -7.358 10.072 -0.665 1.00 0.00 O ATOM 943 CB ARG A 59 -4.246 9.981 -1.933 1.00 0.00 C ATOM 944 CG ARG A 59 -4.419 11.488 -1.860 1.00 0.00 C ATOM 945 CD ARG A 59 -3.585 12.167 -2.935 1.00 0.00 C ATOM 946 NE ARG A 59 -3.685 13.624 -2.895 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.259 14.352 -3.848 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.923 13.758 -4.832 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.195 15.674 -3.795 1.00 0.00 N ATOM 0 H ARG A 59 -4.037 7.571 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.014 9.534 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.207 9.738 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.436 9.657 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.470 11.747 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.119 11.848 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.541 11.876 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.905 11.812 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.292 14.111 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.994 12.741 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.362 14.319 -5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.706 16.130 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.634 16.236 -4.524 1.00 0.00 H new ATOM 963 N ALA A 60 -7.023 8.783 -2.475 1.00 0.00 N ATOM 964 CA ALA A 60 -8.400 8.876 -2.934 1.00 0.00 C ATOM 965 C ALA A 60 -9.345 8.206 -1.944 1.00 0.00 C ATOM 966 O ALA A 60 -10.456 8.678 -1.710 1.00 0.00 O ATOM 967 CB ALA A 60 -8.544 8.246 -4.308 1.00 0.00 C ATOM 0 H ALA A 60 -6.418 8.220 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.666 9.931 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.580 8.324 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.898 8.766 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.257 7.196 -4.259 1.00 0.00 H new ATOM 973 N SER A 61 -8.889 7.111 -1.354 1.00 0.00 N ATOM 974 CA SER A 61 -9.681 6.384 -0.376 1.00 0.00 C ATOM 975 C SER A 61 -9.919 7.248 0.864 1.00 0.00 C ATOM 976 O SER A 61 -10.976 7.167 1.487 1.00 0.00 O ATOM 977 CB SER A 61 -8.979 5.076 0.002 1.00 0.00 C ATOM 978 OG SER A 61 -9.830 4.227 0.758 1.00 0.00 O ATOM 0 H SER A 61 -7.971 6.706 -1.537 1.00 0.00 H new ATOM 0 HA SER A 61 -10.649 6.143 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.659 4.559 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.080 5.298 0.578 1.00 0.00 H new ATOM 0 HG SER A 61 -10.716 4.196 0.340 1.00 0.00 H new ATOM 984 N LEU A 62 -8.947 8.094 1.193 1.00 0.00 N ATOM 985 CA LEU A 62 -9.059 8.997 2.337 1.00 0.00 C ATOM 986 C LEU A 62 -10.022 10.142 2.036 1.00 0.00 C ATOM 987 O LEU A 62 -10.460 10.859 2.935 1.00 0.00 O ATOM 988 CB LEU A 62 -7.684 9.557 2.709 1.00 0.00 C ATOM 989 CG LEU A 62 -6.643 8.510 3.104 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.302 9.171 3.378 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.110 7.724 4.319 1.00 0.00 C ATOM 0 H LEU A 62 -8.068 8.174 0.681 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.452 8.427 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.300 10.127 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.805 10.256 3.536 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.521 7.815 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.572 8.411 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.961 9.688 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.409 9.888 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.356 6.983 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.261 8.405 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.048 7.219 4.087 1.00 0.00 H new ATOM 1003 N MET A 63 -10.339 10.315 0.762 1.00 0.00 N ATOM 1004 CA MET A 63 -11.319 11.310 0.349 1.00 0.00 C ATOM 1005 C MET A 63 -12.690 10.660 0.216 1.00 0.00 C ATOM 1006 O MET A 63 -13.691 11.332 -0.041 1.00 0.00 O ATOM 1007 CB MET A 63 -10.914 11.951 -0.981 1.00 0.00 C ATOM 1008 CG MET A 63 -9.607 12.728 -0.916 1.00 0.00 C ATOM 1009 SD MET A 63 -9.677 14.128 0.222 1.00 0.00 S ATOM 1010 CE MET A 63 -11.013 15.086 -0.491 1.00 0.00 C ATOM 0 H MET A 63 -9.932 9.779 -0.005 1.00 0.00 H new ATOM 0 HA MET A 63 -11.361 12.091 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.825 11.171 -1.737 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.709 12.622 -1.307 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.806 12.056 -0.608 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.355 13.089 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.790 16.149 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.121 14.831 -1.545 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.942 14.862 0.034 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.724 9.346 0.398 1.00 0.00 N ATOM 1021 CA GLY A 64 -13.965 8.607 0.282 1.00 0.00 C ATOM 1022 C GLY A 64 -14.233 8.148 -1.137 1.00 0.00 C ATOM 1023 O GLY A 64 -15.337 7.712 -1.454 1.00 0.00 O ATOM 0 H GLY A 64 -11.909 8.777 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.931 7.740 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.791 9.233 0.621 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.224 8.243 -1.993 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.371 7.852 -3.391 1.00 0.00 C ATOM 1029 C ASP A 65 -13.269 6.338 -3.538 1.00 0.00 C ATOM 1030 O ASP A 65 -13.941 5.735 -4.374 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.309 8.535 -4.253 1.00 0.00 C ATOM 1032 CG ASP A 65 -12.513 8.289 -5.735 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -13.432 8.907 -6.318 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -11.756 7.494 -6.324 1.00 0.00 O ATOM 0 H ASP A 65 -12.296 8.587 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.356 8.170 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.326 9.608 -4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.323 8.174 -3.961 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.430 5.731 -2.712 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.239 4.287 -2.738 1.00 0.00 C ATOM 1041 C VAL A 66 -12.897 3.644 -1.520 1.00 0.00 C ATOM 1042 O VAL A 66 -12.709 4.100 -0.392 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.740 3.910 -2.778 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.556 2.399 -2.804 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.057 4.554 -3.975 1.00 0.00 C ATOM 0 H VAL A 66 -11.868 6.217 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.708 3.911 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.273 4.290 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.492 2.162 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.001 1.963 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.042 1.988 -3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.003 4.277 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.532 4.210 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.146 5.638 -3.905 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.662 2.585 -1.758 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.387 1.888 -0.696 1.00 0.00 C ATOM 1057 C ALA A 67 -13.492 0.916 0.084 1.00 0.00 C ATOM 1058 O ALA A 67 -13.971 -0.078 0.630 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.572 1.145 -1.293 1.00 0.00 C ATOM 0 H ALA A 67 -13.799 2.185 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.736 2.638 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.112 0.626 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.239 1.856 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.216 0.420 -2.025 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.198 1.207 0.141 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.282 0.397 0.929 1.00 0.00 C ATOM 1067 C GLY A 68 -10.885 -0.909 0.258 1.00 0.00 C ATOM 1068 O GLY A 68 -9.701 -1.170 0.057 1.00 0.00 O ATOM 0 H GLY A 68 -11.764 1.991 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.382 0.978 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.744 0.175 1.891 1.00 0.00 H new ATOM 1072 N GLU A 69 -11.873 -1.731 -0.081 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.620 -3.046 -0.674 1.00 0.00 C ATOM 1074 C GLU A 69 -10.818 -2.933 -1.970 1.00 0.00 C ATOM 1075 O GLU A 69 -9.864 -3.680 -2.187 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.941 -3.772 -0.939 1.00 0.00 C ATOM 1077 CG GLU A 69 -13.741 -4.042 0.324 1.00 0.00 C ATOM 1078 CD GLU A 69 -15.029 -4.790 0.052 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -14.969 -6.011 -0.207 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -16.109 -4.167 0.117 1.00 0.00 O ATOM 0 H GLU A 69 -12.861 -1.511 0.044 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.029 -3.621 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.545 -3.175 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.734 -4.718 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.131 -4.619 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.972 -3.095 0.812 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.203 -1.983 -2.815 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.513 -1.748 -4.080 1.00 0.00 C ATOM 1089 C ILE A 70 -9.053 -1.372 -3.838 1.00 0.00 C ATOM 1090 O ILE A 70 -8.162 -1.768 -4.591 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.206 -0.632 -4.892 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.654 -1.029 -5.199 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.441 -0.345 -6.178 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.431 0.033 -5.945 1.00 0.00 C ATOM 0 H ILE A 70 -11.993 -1.360 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.553 -2.675 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.213 0.280 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.653 -1.946 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.167 -1.251 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.947 0.444 -6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.428 -0.025 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.400 -1.248 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.446 -0.319 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.464 0.945 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.943 0.239 -6.897 1.00 0.00 H new ATOM 1106 N ALA A 71 -8.814 -0.628 -2.762 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.469 -0.193 -2.420 1.00 0.00 C ATOM 1108 C ALA A 71 -6.578 -1.390 -2.119 1.00 0.00 C ATOM 1109 O ALA A 71 -5.421 -1.418 -2.523 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.497 0.767 -1.240 1.00 0.00 C ATOM 0 H ALA A 71 -9.536 -0.315 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.053 0.335 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.481 1.080 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.095 1.642 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.936 0.268 -0.376 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.130 -2.386 -1.428 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.382 -3.600 -1.108 1.00 0.00 C ATOM 1118 C ARG A 72 -5.941 -4.317 -2.380 1.00 0.00 C ATOM 1119 O ARG A 72 -4.759 -4.613 -2.557 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.217 -4.550 -0.239 1.00 0.00 C ATOM 1121 CG ARG A 72 -6.601 -5.938 -0.104 1.00 0.00 C ATOM 1122 CD ARG A 72 -7.419 -6.847 0.798 1.00 0.00 C ATOM 1123 NE ARG A 72 -6.938 -8.231 0.752 1.00 0.00 N ATOM 1124 CZ ARG A 72 -6.859 -9.038 1.812 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.137 -8.582 3.029 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -6.467 -10.295 1.653 1.00 0.00 N ATOM 0 H ARG A 72 -8.089 -2.376 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.497 -3.302 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.336 -4.114 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.215 -4.642 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.514 -6.392 -1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.591 -5.847 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.373 -6.480 1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.465 -6.815 0.495 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.644 -8.602 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.413 -7.609 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.074 -9.205 3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.228 -10.641 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.405 -10.916 2.460 1.00 0.00 H new ATOM 1140 N THR A 73 -6.894 -4.580 -3.264 1.00 0.00 N ATOM 1141 CA THR A 73 -6.627 -5.334 -4.480 1.00 0.00 C ATOM 1142 C THR A 73 -5.569 -4.643 -5.343 1.00 0.00 C ATOM 1143 O THR A 73 -4.584 -5.263 -5.757 1.00 0.00 O ATOM 1144 CB THR A 73 -7.915 -5.517 -5.302 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.983 -5.941 -4.442 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.714 -6.544 -6.408 1.00 0.00 C ATOM 0 H THR A 73 -7.863 -4.280 -3.160 1.00 0.00 H new ATOM 0 HA THR A 73 -6.249 -6.311 -4.178 1.00 0.00 H new ATOM 0 HB THR A 73 -8.168 -4.560 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.802 -6.055 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.639 -6.655 -6.974 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.918 -6.210 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.441 -7.503 -5.968 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.766 -3.354 -5.587 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.862 -2.590 -6.437 1.00 0.00 C ATOM 1156 C ALA A 74 -3.500 -2.399 -5.771 1.00 0.00 C ATOM 1157 O ALA A 74 -2.481 -2.246 -6.450 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.483 -1.246 -6.786 1.00 0.00 C ATOM 0 H ALA A 74 -6.545 -2.815 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.702 -3.154 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.799 -0.683 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.422 -1.406 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.673 -0.685 -5.871 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.489 -2.414 -4.443 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.252 -2.279 -3.684 1.00 0.00 C ATOM 1166 C PHE A 75 -1.384 -3.518 -3.867 1.00 0.00 C ATOM 1167 O PHE A 75 -0.177 -3.413 -4.085 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.553 -2.061 -2.198 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.340 -1.753 -1.368 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.803 -0.478 -1.357 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -0.741 -2.735 -0.594 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.308 -0.186 -0.595 1.00 0.00 C ATOM 1173 CE2 PHE A 75 0.373 -2.449 0.173 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.897 -1.173 0.172 1.00 0.00 C ATOM 0 H PHE A 75 -4.325 -2.519 -3.869 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.711 -1.410 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.266 -1.243 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.035 -2.954 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.260 0.298 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.149 -3.735 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.718 0.813 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.832 -3.222 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.767 -0.946 0.770 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.009 -4.690 -3.795 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.296 -5.951 -3.980 1.00 0.00 C ATOM 1186 C VAL A 76 -0.687 -6.014 -5.378 1.00 0.00 C ATOM 1187 O VAL A 76 0.439 -6.482 -5.559 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.226 -7.169 -3.762 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.473 -8.475 -3.974 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -2.837 -7.129 -2.370 1.00 0.00 C ATOM 0 H VAL A 76 -3.007 -4.793 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.502 -5.992 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.029 -7.117 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.149 -9.315 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.084 -8.510 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.645 -8.537 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.488 -7.992 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.043 -7.151 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.418 -6.214 -2.254 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.429 -5.514 -6.358 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.948 -5.460 -7.734 1.00 0.00 C ATOM 1202 C ALA A 77 0.292 -4.578 -7.841 1.00 0.00 C ATOM 1203 O ALA A 77 1.240 -4.908 -8.550 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.045 -4.954 -8.659 1.00 0.00 C ATOM 0 H ALA A 77 -2.368 -5.139 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.673 -6.469 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.671 -4.919 -9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.902 -5.626 -8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.349 -3.954 -8.350 1.00 0.00 H new ATOM 1210 N ALA A 78 0.284 -3.462 -7.118 1.00 0.00 N ATOM 1211 CA ALA A 78 1.418 -2.545 -7.113 1.00 0.00 C ATOM 1212 C ALA A 78 2.589 -3.137 -6.336 1.00 0.00 C ATOM 1213 O ALA A 78 3.750 -2.955 -6.706 1.00 0.00 O ATOM 1214 CB ALA A 78 1.010 -1.203 -6.519 1.00 0.00 C ATOM 0 H ALA A 78 -0.496 -3.171 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 78 1.737 -2.389 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.866 -0.529 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.206 -0.771 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.665 -1.348 -5.495 1.00 0.00 H new ATOM 1220 N SER A 79 2.273 -3.864 -5.270 1.00 0.00 N ATOM 1221 CA SER A 79 3.286 -4.501 -4.436 1.00 0.00 C ATOM 1222 C SER A 79 4.088 -5.527 -5.235 1.00 0.00 C ATOM 1223 O SER A 79 5.243 -5.819 -4.912 1.00 0.00 O ATOM 1224 CB SER A 79 2.625 -5.173 -3.231 1.00 0.00 C ATOM 1225 OG SER A 79 1.874 -4.237 -2.477 1.00 0.00 O ATOM 0 H SER A 79 1.315 -4.028 -4.961 1.00 0.00 H new ATOM 0 HA SER A 79 3.973 -3.731 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.974 -5.978 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.388 -5.626 -2.599 1.00 0.00 H new ATOM 0 HG SER A 79 1.063 -3.994 -2.971 1.00 0.00 H new ATOM 1231 N ARG A 80 3.477 -6.057 -6.291 1.00 0.00 N ATOM 1232 CA ARG A 80 4.136 -7.036 -7.144 1.00 0.00 C ATOM 1233 C ARG A 80 5.362 -6.432 -7.816 1.00 0.00 C ATOM 1234 O ARG A 80 6.392 -7.091 -7.957 1.00 0.00 O ATOM 1235 CB ARG A 80 3.171 -7.564 -8.206 1.00 0.00 C ATOM 1236 CG ARG A 80 3.776 -8.651 -9.078 1.00 0.00 C ATOM 1237 CD ARG A 80 2.795 -9.141 -10.125 1.00 0.00 C ATOM 1238 NE ARG A 80 3.316 -10.286 -10.872 1.00 0.00 N ATOM 1239 CZ ARG A 80 2.655 -10.902 -11.850 1.00 0.00 C ATOM 1240 NH1 ARG A 80 1.454 -10.474 -12.222 1.00 0.00 N ATOM 1241 NH2 ARG A 80 3.201 -11.951 -12.452 1.00 0.00 N ATOM 0 H ARG A 80 2.526 -5.823 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 80 4.456 -7.866 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.280 -7.955 -7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.849 -6.737 -8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.671 -8.268 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.089 -9.487 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.858 -9.419 -9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.568 -8.330 -10.817 1.00 0.00 H new ATOM 0 HE ARG A 80 4.243 -10.634 -10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.033 -9.669 -11.758 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.953 -10.950 -12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.122 -12.281 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.699 -12.427 -13.202 1.00 0.00 H new ATOM 1255 N GLN A 81 5.256 -5.166 -8.198 1.00 0.00 N ATOM 1256 CA GLN A 81 6.330 -4.494 -8.916 1.00 0.00 C ATOM 1257 C GLN A 81 7.518 -4.232 -7.989 1.00 0.00 C ATOM 1258 O GLN A 81 8.611 -3.896 -8.439 1.00 0.00 O ATOM 1259 CB GLN A 81 5.824 -3.181 -9.516 1.00 0.00 C ATOM 1260 CG GLN A 81 6.696 -2.662 -10.646 1.00 0.00 C ATOM 1261 CD GLN A 81 6.687 -3.582 -11.853 1.00 0.00 C ATOM 1262 OE1 GLN A 81 5.688 -4.239 -12.144 1.00 0.00 O ATOM 1263 NE2 GLN A 81 7.806 -3.651 -12.556 1.00 0.00 N ATOM 0 H GLN A 81 4.437 -4.584 -8.022 1.00 0.00 H new ATOM 0 HA GLN A 81 6.664 -5.144 -9.725 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.809 -3.326 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.772 -2.427 -8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.349 -1.673 -10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.719 -2.547 -10.288 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.614 -3.091 -12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.860 -4.264 -13.369 1.00 0.00 H new ATOM 1272 N ALA A 82 7.293 -4.390 -6.690 1.00 0.00 N ATOM 1273 CA ALA A 82 8.355 -4.246 -5.703 1.00 0.00 C ATOM 1274 C ALA A 82 8.744 -5.608 -5.133 1.00 0.00 C ATOM 1275 O ALA A 82 9.585 -5.703 -4.239 1.00 0.00 O ATOM 1276 CB ALA A 82 7.916 -3.312 -4.586 1.00 0.00 C ATOM 0 H ALA A 82 6.381 -4.619 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 82 9.227 -3.815 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.720 -3.214 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.682 -2.332 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.031 -3.719 -4.098 1.00 0.00 H new ATOM 1282 N HIS A 83 8.104 -6.657 -5.658 1.00 0.00 N ATOM 1283 CA HIS A 83 8.340 -8.041 -5.222 1.00 0.00 C ATOM 1284 C HIS A 83 7.999 -8.228 -3.743 1.00 0.00 C ATOM 1285 O HIS A 83 8.443 -9.184 -3.109 1.00 0.00 O ATOM 1286 CB HIS A 83 9.790 -8.469 -5.487 1.00 0.00 C ATOM 1287 CG HIS A 83 10.154 -8.501 -6.942 1.00 0.00 C ATOM 1288 ND1 HIS A 83 11.188 -7.763 -7.473 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.623 -9.195 -7.977 1.00 0.00 C ATOM 1290 CE1 HIS A 83 11.278 -7.999 -8.768 1.00 0.00 C ATOM 1291 NE2 HIS A 83 10.340 -8.864 -9.098 1.00 0.00 N ATOM 0 H HIS A 83 7.407 -6.573 -6.398 1.00 0.00 H new ATOM 0 HA HIS A 83 7.678 -8.678 -5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.462 -7.785 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.951 -9.459 -5.060 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.790 -9.881 -7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.997 -7.559 -9.442 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.174 -9.229 -10.036 1.00 0.00 H new ATOM 1300 N CYS A 84 7.178 -7.335 -3.212 1.00 0.00 N ATOM 1301 CA CYS A 84 6.775 -7.396 -1.817 1.00 0.00 C ATOM 1302 C CYS A 84 5.399 -8.049 -1.724 1.00 0.00 C ATOM 1303 O CYS A 84 4.424 -7.432 -1.298 1.00 0.00 O ATOM 1304 CB CYS A 84 6.755 -5.982 -1.221 1.00 0.00 C ATOM 1305 SG CYS A 84 6.727 -5.920 0.586 1.00 0.00 S ATOM 0 H CYS A 84 6.776 -6.554 -3.731 1.00 0.00 H new ATOM 0 HA CYS A 84 7.487 -7.994 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.633 -5.441 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.880 -5.455 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 84 6.558 -7.119 1.059 1.00 0.00 H new ATOM 1311 N LEU A 85 5.328 -9.299 -2.154 1.00 0.00 N ATOM 1312 CA LEU A 85 4.056 -9.990 -2.281 1.00 0.00 C ATOM 1313 C LEU A 85 3.813 -10.992 -1.166 1.00 0.00 C ATOM 1314 O LEU A 85 4.673 -11.814 -0.841 1.00 0.00 O ATOM 1315 CB LEU A 85 3.984 -10.723 -3.619 1.00 0.00 C ATOM 1316 CG LEU A 85 3.829 -9.835 -4.848 1.00 0.00 C ATOM 1317 CD1 LEU A 85 3.863 -10.677 -6.112 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.532 -9.045 -4.765 1.00 0.00 C ATOM 0 H LEU A 85 6.139 -9.856 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 85 3.284 -9.223 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.889 -11.319 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.146 -11.419 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 85 4.660 -9.131 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.751 -10.031 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.815 -11.205 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.048 -11.400 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.433 -8.415 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.689 -9.734 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.543 -8.419 -3.872 1.00 0.00 H new ATOM 1330 N MET A 86 2.626 -10.911 -0.587 1.00 0.00 N ATOM 1331 CA MET A 86 2.107 -11.974 0.251 1.00 0.00 C ATOM 1332 C MET A 86 1.155 -12.812 -0.595 1.00 0.00 C ATOM 1333 O MET A 86 0.313 -12.260 -1.300 1.00 0.00 O ATOM 1334 CB MET A 86 1.372 -11.401 1.468 1.00 0.00 C ATOM 1335 CG MET A 86 0.862 -12.466 2.428 1.00 0.00 C ATOM 1336 SD MET A 86 -0.144 -11.789 3.764 1.00 0.00 S ATOM 1337 CE MET A 86 -1.513 -11.084 2.846 1.00 0.00 C ATOM 0 H MET A 86 2.001 -10.111 -0.685 1.00 0.00 H new ATOM 0 HA MET A 86 2.927 -12.587 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.043 -10.731 2.005 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.530 -10.800 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.274 -13.196 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.712 -12.999 2.855 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.447 -11.289 3.370 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.376 -10.006 2.758 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.550 -11.527 1.851 1.00 0.00 H new ATOM 1347 N GLU A 87 1.284 -14.134 -0.532 1.00 0.00 N ATOM 1348 CA GLU A 87 0.487 -15.020 -1.385 1.00 0.00 C ATOM 1349 C GLU A 87 -0.991 -15.040 -1.003 1.00 0.00 C ATOM 1350 O GLU A 87 -1.761 -15.789 -1.602 1.00 0.00 O ATOM 1351 CB GLU A 87 1.011 -16.453 -1.332 1.00 0.00 C ATOM 1352 CG GLU A 87 2.333 -16.673 -2.042 1.00 0.00 C ATOM 1353 CD GLU A 87 2.604 -18.145 -2.271 1.00 0.00 C ATOM 1354 OE1 GLU A 87 2.075 -18.698 -3.261 1.00 0.00 O ATOM 1355 OE2 GLU A 87 3.326 -18.761 -1.459 1.00 0.00 O ATOM 0 H GLU A 87 1.928 -14.616 0.095 1.00 0.00 H new ATOM 0 HA GLU A 87 0.581 -14.616 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.122 -16.746 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.264 -17.115 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.324 -16.151 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.141 -16.241 -1.451 1.00 0.00 H new ATOM 1362 N ASP A 88 -1.373 -14.246 0.004 1.00 0.00 N ATOM 1363 CA ASP A 88 -2.755 -14.214 0.519 1.00 0.00 C ATOM 1364 C ASP A 88 -3.062 -15.475 1.334 1.00 0.00 C ATOM 1365 O ASP A 88 -3.790 -15.432 2.320 1.00 0.00 O ATOM 1366 CB ASP A 88 -3.768 -14.050 -0.629 1.00 0.00 C ATOM 1367 CG ASP A 88 -5.211 -14.027 -0.162 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -5.698 -12.943 0.224 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -5.875 -15.087 -0.215 1.00 0.00 O ATOM 0 H ASP A 88 -0.739 -13.609 0.486 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.847 -13.350 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.553 -13.125 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.637 -14.867 -1.339 1.00 0.00 H new ATOM 1374 N LYS A 89 -2.464 -16.589 0.927 1.00 0.00 N ATOM 1375 CA LYS A 89 -2.626 -17.875 1.603 1.00 0.00 C ATOM 1376 C LYS A 89 -2.159 -17.807 3.057 1.00 0.00 C ATOM 1377 O LYS A 89 -2.614 -18.576 3.902 1.00 0.00 O ATOM 1378 CB LYS A 89 -1.815 -18.938 0.865 1.00 0.00 C ATOM 1379 CG LYS A 89 -2.076 -18.972 -0.631 1.00 0.00 C ATOM 1380 CD LYS A 89 -1.000 -19.757 -1.360 1.00 0.00 C ATOM 1381 CE LYS A 89 -1.183 -19.697 -2.866 1.00 0.00 C ATOM 1382 NZ LYS A 89 -0.066 -20.369 -3.581 1.00 0.00 N ATOM 0 H LYS A 89 -1.849 -16.628 0.114 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.686 -18.130 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.754 -18.757 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.044 -19.916 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.050 -19.422 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.113 -17.954 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.019 -19.361 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.023 -20.796 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.126 -20.171 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.245 -18.656 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.216 -20.294 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.833 -19.912 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.033 -21.372 -3.309 1.00 0.00 H new ATOM 1396 N ALA A 90 -1.241 -16.882 3.336 1.00 0.00 N ATOM 1397 CA ALA A 90 -0.706 -16.706 4.684 1.00 0.00 C ATOM 1398 C ALA A 90 -1.794 -16.256 5.655 1.00 0.00 C ATOM 1399 O ALA A 90 -1.716 -16.519 6.857 1.00 0.00 O ATOM 1400 CB ALA A 90 0.436 -15.699 4.671 1.00 0.00 C ATOM 0 H ALA A 90 -0.852 -16.242 2.644 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.327 -17.670 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.825 -15.577 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.230 -16.058 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.071 -14.739 4.305 1.00 0.00 H new ATOM 1406 N GLU A 91 -2.807 -15.591 5.125 1.00 0.00 N ATOM 1407 CA GLU A 91 -3.918 -15.111 5.926 1.00 0.00 C ATOM 1408 C GLU A 91 -5.205 -15.247 5.121 1.00 0.00 C ATOM 1409 O GLU A 91 -5.582 -14.354 4.361 1.00 0.00 O ATOM 1410 CB GLU A 91 -3.668 -13.663 6.352 1.00 0.00 C ATOM 1411 CG GLU A 91 -4.678 -13.126 7.349 1.00 0.00 C ATOM 1412 CD GLU A 91 -4.160 -11.909 8.085 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -4.211 -10.800 7.521 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -3.682 -12.067 9.230 1.00 0.00 O ATOM 0 H GLU A 91 -2.881 -15.370 4.132 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.014 -15.707 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.671 -13.591 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.676 -13.029 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.600 -12.869 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.926 -13.906 8.069 1.00 0.00 H new ATOM 1421 N ALA A 92 -5.849 -16.394 5.275 1.00 0.00 N ATOM 1422 CA ALA A 92 -6.947 -16.788 4.405 1.00 0.00 C ATOM 1423 C ALA A 92 -8.275 -16.168 4.824 1.00 0.00 C ATOM 1424 O ALA A 92 -8.761 -16.400 5.930 1.00 0.00 O ATOM 1425 CB ALA A 92 -7.056 -18.305 4.379 1.00 0.00 C ATOM 0 H ALA A 92 -5.627 -17.074 6.002 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.727 -16.414 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.879 -18.600 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.125 -18.730 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.242 -18.674 5.388 1.00 0.00 H new ATOM 1431 N PRO A 93 -8.882 -15.372 3.930 1.00 0.00 N ATOM 1432 CA PRO A 93 -10.207 -14.804 4.137 1.00 0.00 C ATOM 1433 C PRO A 93 -11.312 -15.762 3.688 1.00 0.00 C ATOM 1434 O PRO A 93 -12.489 -15.401 3.655 1.00 0.00 O ATOM 1435 CB PRO A 93 -10.205 -13.542 3.257 1.00 0.00 C ATOM 1436 CG PRO A 93 -8.916 -13.560 2.486 1.00 0.00 C ATOM 1437 CD PRO A 93 -8.315 -14.928 2.655 1.00 0.00 C ATOM 0 HA PRO A 93 -10.404 -14.599 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.061 -13.539 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.278 -12.643 3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.095 -13.346 1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.236 -12.793 2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.588 -15.594 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.226 -14.891 2.687 1.00 0.00 H new ATOM 1445 N ASN A 94 -10.925 -16.992 3.356 1.00 0.00 N ATOM 1446 CA ASN A 94 -11.874 -17.996 2.881 1.00 0.00 C ATOM 1447 C ASN A 94 -12.649 -18.599 4.045 1.00 0.00 C ATOM 1448 O ASN A 94 -13.549 -19.412 3.850 1.00 0.00 O ATOM 1449 CB ASN A 94 -11.157 -19.113 2.110 1.00 0.00 C ATOM 1450 CG ASN A 94 -10.373 -20.051 3.013 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -9.844 -19.645 4.047 1.00 0.00 O ATOM 1452 ND2 ASN A 94 -10.304 -21.316 2.635 1.00 0.00 N ATOM 0 H ASN A 94 -9.960 -17.317 3.407 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.571 -17.496 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.893 -19.689 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.479 -18.667 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.799 -21.993 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.756 -21.615 1.771 1.00 0.00 H new ATOM 1459 N THR A 95 -12.283 -18.194 5.253 1.00 0.00 N ATOM 1460 CA THR A 95 -12.945 -18.654 6.461 1.00 0.00 C ATOM 1461 C THR A 95 -14.409 -18.236 6.481 1.00 0.00 C ATOM 1462 O THR A 95 -15.265 -18.939 7.016 1.00 0.00 O ATOM 1463 CB THR A 95 -12.232 -18.092 7.699 1.00 0.00 C ATOM 1464 OG1 THR A 95 -11.856 -16.729 7.452 1.00 0.00 O ATOM 1465 CG2 THR A 95 -11.001 -18.917 8.042 1.00 0.00 C ATOM 0 H THR A 95 -11.520 -17.538 5.421 1.00 0.00 H new ATOM 0 HA THR A 95 -12.898 -19.743 6.475 1.00 0.00 H new ATOM 0 HB THR A 95 -12.915 -18.138 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.402 -16.367 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.515 -18.497 8.923 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.298 -19.945 8.247 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.306 -18.901 7.202 1.00 0.00 H new ATOM 1473 N ILE A 96 -14.684 -17.078 5.898 1.00 0.00 N ATOM 1474 CA ILE A 96 -16.048 -16.582 5.781 1.00 0.00 C ATOM 1475 C ILE A 96 -16.832 -17.409 4.762 1.00 0.00 C ATOM 1476 O ILE A 96 -17.996 -17.747 4.978 1.00 0.00 O ATOM 1477 CB ILE A 96 -16.061 -15.096 5.365 1.00 0.00 C ATOM 1478 CG1 ILE A 96 -15.202 -14.271 6.330 1.00 0.00 C ATOM 1479 CG2 ILE A 96 -17.488 -14.564 5.328 1.00 0.00 C ATOM 1480 CD1 ILE A 96 -15.054 -12.818 5.929 1.00 0.00 C ATOM 0 H ILE A 96 -13.977 -16.462 5.497 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.522 -16.675 6.758 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.640 -15.010 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.642 -14.320 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.212 -14.722 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.478 -13.515 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.072 -15.138 4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.937 -14.658 6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -14.433 -12.300 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.585 -12.758 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -16.037 -12.349 5.891 1.00 0.00 H new ATOM 1492 N ALA A 97 -16.173 -17.753 3.663 1.00 0.00 N ATOM 1493 CA ALA A 97 -16.802 -18.527 2.603 1.00 0.00 C ATOM 1494 C ALA A 97 -17.054 -19.960 3.057 1.00 0.00 C ATOM 1495 O ALA A 97 -16.181 -20.594 3.651 1.00 0.00 O ATOM 1496 CB ALA A 97 -15.936 -18.511 1.353 1.00 0.00 C ATOM 0 H ALA A 97 -15.200 -17.507 3.483 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.763 -18.070 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.419 -19.094 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.806 -17.483 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.962 -18.944 1.580 1.00 0.00 H new ATOM 1502 N SER A 98 -18.247 -20.462 2.784 1.00 0.00 N ATOM 1503 CA SER A 98 -18.620 -21.809 3.189 1.00 0.00 C ATOM 1504 C SER A 98 -17.812 -22.845 2.413 1.00 0.00 C ATOM 1505 O SER A 98 -17.169 -23.715 3.000 1.00 0.00 O ATOM 1506 CB SER A 98 -20.111 -22.032 2.949 1.00 0.00 C ATOM 1507 OG SER A 98 -20.863 -20.887 3.320 1.00 0.00 O ATOM 0 H SER A 98 -18.976 -19.956 2.282 1.00 0.00 H new ATOM 0 HA SER A 98 -18.405 -21.922 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 98 -20.284 -22.260 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 98 -20.450 -22.895 3.522 1.00 0.00 H new ATOM 0 HG SER A 98 -21.815 -21.053 3.156 1.00 0.00 H new ATOM 1513 N GLY A 99 -17.837 -22.731 1.092 1.00 0.00 N ATOM 1514 CA GLY A 99 -17.135 -23.680 0.257 1.00 0.00 C ATOM 1515 C GLY A 99 -15.926 -23.070 -0.418 1.00 0.00 C ATOM 1516 O GLY A 99 -16.043 -22.089 -1.153 1.00 0.00 O ATOM 0 H GLY A 99 -18.332 -21.997 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.820 -24.529 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.816 -24.065 -0.502 1.00 0.00 H new ATOM 1520 N SER A 100 -14.764 -23.640 -0.156 1.00 0.00 N ATOM 1521 CA SER A 100 -13.530 -23.187 -0.770 1.00 0.00 C ATOM 1522 C SER A 100 -13.072 -24.194 -1.819 1.00 0.00 C ATOM 1523 O SER A 100 -13.135 -23.874 -3.023 1.00 0.00 O ATOM 1524 CB SER A 100 -12.455 -22.995 0.301 1.00 0.00 C ATOM 1525 OG SER A 100 -12.931 -22.143 1.331 1.00 0.00 O ATOM 1526 OXT SER A 100 -12.701 -25.325 -1.433 1.00 0.00 O ATOM 0 H SER A 100 -14.649 -24.425 0.485 1.00 0.00 H new ATOM 0 HA SER A 100 -13.703 -22.230 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.173 -23.961 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.558 -22.568 -0.147 1.00 0.00 H new ATOM 0 HG SER A 100 -12.632 -22.482 2.200 1.00 0.00 H new TER 1532 SER A 100