USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 17 LYS NZ :NH3+ -172:sc= -1.4 (180deg=-1.81) USER MOD Set 1.2: A 85 THR OG1 : rot -66:sc= 0.848 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -0.384 K(o=-0.66,f=0.2) USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.129 USER MOD Single : A 9 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-1.4) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -160:sc= -0.0981 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.34) USER MOD Single : A 46 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.52) USER MOD Single : A 53 SER OG : rot -92:sc= 0.6 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -61:sc= 0.207 USER MOD Single : A 66 ASN : amide:sc= -0.73 K(o=-0.73,f=-0.034) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 130:sc= -1.7 USER MOD Single : A 79 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -4.74! C(o=-4.7!,f=-10!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 89:sc= 0.145 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00053) USER MOD Single : A 98 CYS SG : rot 74:sc= 0.425 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.394 5.976 -29.840 1.00 0.00 N ATOM 2 CA GLY A 1 -10.506 5.049 -29.163 1.00 0.00 C ATOM 3 C GLY A 1 -10.383 5.342 -27.681 1.00 0.00 C ATOM 4 O GLY A 1 -10.013 6.449 -27.288 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.444 5.734 -30.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.344 5.915 -29.422 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.031 6.945 -29.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.874 4.032 -29.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.519 5.095 -29.623 1.00 0.00 H new ATOM 8 N SER A 2 -10.694 4.348 -26.855 1.00 0.00 N ATOM 9 CA SER A 2 -10.621 4.506 -25.407 1.00 0.00 C ATOM 10 C SER A 2 -9.200 4.847 -24.969 1.00 0.00 C ATOM 11 O SER A 2 -8.228 4.341 -25.528 1.00 0.00 O ATOM 12 CB SER A 2 -11.089 3.227 -24.710 1.00 0.00 C ATOM 13 OG SER A 2 -12.478 3.020 -24.903 1.00 0.00 O ATOM 0 H SER A 2 -10.999 3.425 -27.164 1.00 0.00 H new ATOM 0 HA SER A 2 -11.277 5.328 -25.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.533 2.373 -25.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.872 3.290 -23.644 1.00 0.00 H new ATOM 0 HG SER A 2 -12.752 2.196 -24.449 1.00 0.00 H new ATOM 19 N SER A 3 -9.089 5.709 -23.963 1.00 0.00 N ATOM 20 CA SER A 3 -7.788 6.122 -23.451 1.00 0.00 C ATOM 21 C SER A 3 -7.289 5.148 -22.388 1.00 0.00 C ATOM 22 O SER A 3 -7.561 5.315 -21.200 1.00 0.00 O ATOM 23 CB SER A 3 -7.871 7.534 -22.867 1.00 0.00 C ATOM 24 OG SER A 3 -7.924 8.508 -23.894 1.00 0.00 O ATOM 0 H SER A 3 -9.884 6.135 -23.487 1.00 0.00 H new ATOM 0 HA SER A 3 -7.081 6.121 -24.281 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.755 7.618 -22.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.006 7.719 -22.230 1.00 0.00 H new ATOM 0 HG SER A 3 -7.978 9.401 -23.495 1.00 0.00 H new ATOM 30 N GLY A 4 -6.555 4.129 -22.825 1.00 0.00 N ATOM 31 CA GLY A 4 -6.029 3.143 -21.900 1.00 0.00 C ATOM 32 C GLY A 4 -4.517 3.190 -21.800 1.00 0.00 C ATOM 33 O GLY A 4 -3.815 2.652 -22.655 1.00 0.00 O ATOM 0 H GLY A 4 -6.315 3.969 -23.803 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.461 3.309 -20.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.338 2.148 -22.220 1.00 0.00 H new ATOM 37 N SER A 5 -4.015 3.836 -20.752 1.00 0.00 N ATOM 38 CA SER A 5 -2.576 3.956 -20.546 1.00 0.00 C ATOM 39 C SER A 5 -2.027 2.731 -19.821 1.00 0.00 C ATOM 40 O SER A 5 -2.638 2.228 -18.879 1.00 0.00 O ATOM 41 CB SER A 5 -2.258 5.221 -19.747 1.00 0.00 C ATOM 42 OG SER A 5 -0.874 5.305 -19.454 1.00 0.00 O ATOM 0 H SER A 5 -4.583 4.284 -20.033 1.00 0.00 H new ATOM 0 HA SER A 5 -2.098 4.022 -21.523 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.567 6.100 -20.313 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.830 5.222 -18.819 1.00 0.00 H new ATOM 0 HG SER A 5 -0.697 6.123 -18.944 1.00 0.00 H new ATOM 48 N SER A 6 -0.869 2.257 -20.269 1.00 0.00 N ATOM 49 CA SER A 6 -0.237 1.088 -19.666 1.00 0.00 C ATOM 50 C SER A 6 0.126 1.358 -18.209 1.00 0.00 C ATOM 51 O SER A 6 -0.291 0.631 -17.309 1.00 0.00 O ATOM 52 CB SER A 6 1.015 0.697 -20.452 1.00 0.00 C ATOM 53 OG SER A 6 1.933 1.775 -20.519 1.00 0.00 O ATOM 0 H SER A 6 -0.349 2.664 -21.047 1.00 0.00 H new ATOM 0 HA SER A 6 -0.949 0.263 -19.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.492 -0.162 -19.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.735 0.391 -21.460 1.00 0.00 H new ATOM 0 HG SER A 6 2.725 1.499 -21.025 1.00 0.00 H new ATOM 59 N GLY A 7 0.908 2.410 -17.986 1.00 0.00 N ATOM 60 CA GLY A 7 1.316 2.758 -16.637 1.00 0.00 C ATOM 61 C GLY A 7 2.755 2.380 -16.351 1.00 0.00 C ATOM 62 O GLY A 7 3.058 1.215 -16.090 1.00 0.00 O ATOM 0 H GLY A 7 1.266 3.027 -18.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.189 3.830 -16.487 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.663 2.257 -15.923 1.00 0.00 H new ATOM 66 N ASP A 8 3.645 3.365 -16.401 1.00 0.00 N ATOM 67 CA ASP A 8 5.062 3.129 -16.145 1.00 0.00 C ATOM 68 C ASP A 8 5.489 3.764 -14.826 1.00 0.00 C ATOM 69 O ASP A 8 6.075 3.104 -13.969 1.00 0.00 O ATOM 70 CB ASP A 8 5.908 3.686 -17.291 1.00 0.00 C ATOM 71 CG ASP A 8 5.803 2.847 -18.549 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.373 1.736 -18.570 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.152 3.302 -19.513 1.00 0.00 O ATOM 0 H ASP A 8 3.411 4.334 -16.616 1.00 0.00 H new ATOM 0 HA ASP A 8 5.220 2.053 -16.077 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.591 4.706 -17.510 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.951 3.737 -16.978 1.00 0.00 H new ATOM 78 N ASN A 9 5.191 5.050 -14.670 1.00 0.00 N ATOM 79 CA ASN A 9 5.546 5.775 -13.455 1.00 0.00 C ATOM 80 C ASN A 9 5.339 4.902 -12.221 1.00 0.00 C ATOM 81 O ASN A 9 6.266 4.682 -11.441 1.00 0.00 O ATOM 82 CB ASN A 9 4.711 7.052 -13.336 1.00 0.00 C ATOM 83 CG ASN A 9 5.145 8.120 -14.322 1.00 0.00 C ATOM 84 OD1 ASN A 9 5.851 7.837 -15.290 1.00 0.00 O ATOM 85 ND2 ASN A 9 4.723 9.355 -14.079 1.00 0.00 N ATOM 0 H ASN A 9 4.705 5.611 -15.369 1.00 0.00 H new ATOM 0 HA ASN A 9 6.601 6.043 -13.516 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.661 6.813 -13.502 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.792 7.443 -12.322 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.983 10.116 -14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.139 9.543 -13.264 1.00 0.00 H new ATOM 92 N CYS A 10 4.118 4.408 -12.051 1.00 0.00 N ATOM 93 CA CYS A 10 3.788 3.559 -10.911 1.00 0.00 C ATOM 94 C CYS A 10 4.151 2.105 -11.194 1.00 0.00 C ATOM 95 O CYS A 10 4.416 1.732 -12.337 1.00 0.00 O ATOM 96 CB CYS A 10 2.300 3.671 -10.579 1.00 0.00 C ATOM 97 SG CYS A 10 1.209 2.929 -11.815 1.00 0.00 S ATOM 0 H CYS A 10 3.340 4.580 -12.688 1.00 0.00 H new ATOM 0 HA CYS A 10 4.370 3.900 -10.055 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.117 3.195 -9.616 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.042 4.724 -10.468 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.029 3.073 -11.444 1.00 0.00 H new ATOM 103 N ARG A 11 4.161 1.288 -10.145 1.00 0.00 N ATOM 104 CA ARG A 11 4.493 -0.125 -10.280 1.00 0.00 C ATOM 105 C ARG A 11 3.426 -0.999 -9.628 1.00 0.00 C ATOM 106 O ARG A 11 3.222 -0.944 -8.416 1.00 0.00 O ATOM 107 CB ARG A 11 5.858 -0.412 -9.651 1.00 0.00 C ATOM 108 CG ARG A 11 6.439 -1.760 -10.045 1.00 0.00 C ATOM 109 CD ARG A 11 7.361 -2.306 -8.966 1.00 0.00 C ATOM 110 NE ARG A 11 7.666 -3.719 -9.171 1.00 0.00 N ATOM 111 CZ ARG A 11 8.637 -4.154 -9.967 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.393 -3.289 -10.629 1.00 0.00 N ATOM 113 NH2 ARG A 11 8.854 -5.456 -10.101 1.00 0.00 N ATOM 0 H ARG A 11 3.943 1.581 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 11 4.533 -0.363 -11.343 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.555 0.374 -9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.765 -0.369 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.630 -2.467 -10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.990 -1.661 -10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.288 -1.733 -8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.895 -2.174 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 11 7.103 -4.410 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.230 -2.287 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.138 -3.625 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.275 -6.124 -9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.600 -5.788 -10.712 1.00 0.00 H new ATOM 127 N GLU A 12 2.750 -1.804 -10.442 1.00 0.00 N ATOM 128 CA GLU A 12 1.703 -2.689 -9.943 1.00 0.00 C ATOM 129 C GLU A 12 2.291 -4.017 -9.474 1.00 0.00 C ATOM 130 O GLU A 12 2.897 -4.751 -10.256 1.00 0.00 O ATOM 131 CB GLU A 12 0.655 -2.938 -11.029 1.00 0.00 C ATOM 132 CG GLU A 12 -0.648 -3.512 -10.497 1.00 0.00 C ATOM 133 CD GLU A 12 -1.613 -2.438 -10.035 1.00 0.00 C ATOM 134 OE1 GLU A 12 -2.088 -1.659 -10.888 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.894 -2.377 -8.820 1.00 0.00 O ATOM 0 H GLU A 12 2.908 -1.862 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 12 1.226 -2.202 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.446 -2.000 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.068 -3.622 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.122 -4.110 -11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.432 -4.183 -9.666 1.00 0.00 H new ATOM 142 N VAL A 13 2.108 -4.319 -8.193 1.00 0.00 N ATOM 143 CA VAL A 13 2.619 -5.558 -7.619 1.00 0.00 C ATOM 144 C VAL A 13 1.480 -6.481 -7.200 1.00 0.00 C ATOM 145 O VAL A 13 0.859 -6.283 -6.155 1.00 0.00 O ATOM 146 CB VAL A 13 3.517 -5.283 -6.399 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.107 -6.580 -5.866 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.617 -4.296 -6.759 1.00 0.00 C ATOM 0 H VAL A 13 1.610 -3.722 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 13 3.211 -6.045 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 13 2.906 -4.840 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.739 -6.365 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.301 -7.251 -5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.704 -7.055 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.242 -4.113 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.228 -4.709 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.171 -3.358 -7.088 1.00 0.00 H new ATOM 158 N HIS A 14 1.210 -7.490 -8.022 1.00 0.00 N ATOM 159 CA HIS A 14 0.145 -8.445 -7.737 1.00 0.00 C ATOM 160 C HIS A 14 0.665 -9.601 -6.888 1.00 0.00 C ATOM 161 O HIS A 14 1.709 -10.184 -7.186 1.00 0.00 O ATOM 162 CB HIS A 14 -0.451 -8.981 -9.039 1.00 0.00 C ATOM 163 CG HIS A 14 -1.906 -9.322 -8.936 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.745 -9.375 -10.028 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.669 -9.630 -7.861 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.963 -9.699 -9.630 1.00 0.00 C ATOM 167 NE2 HIS A 14 -3.943 -9.860 -8.319 1.00 0.00 N ATOM 0 H HIS A 14 1.714 -7.667 -8.891 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.633 -7.927 -7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.315 -8.237 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.101 -9.870 -9.343 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.469 -9.193 -10.993 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.338 -9.685 -6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.827 -9.813 -10.268 1.00 0.00 H new ATOM 175 N LEU A 15 -0.067 -9.927 -5.828 1.00 0.00 N ATOM 176 CA LEU A 15 0.321 -11.013 -4.935 1.00 0.00 C ATOM 177 C LEU A 15 -0.829 -11.997 -4.743 1.00 0.00 C ATOM 178 O LEU A 15 -1.972 -11.705 -5.092 1.00 0.00 O ATOM 179 CB LEU A 15 0.761 -10.454 -3.581 1.00 0.00 C ATOM 180 CG LEU A 15 1.750 -9.289 -3.625 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.554 -8.376 -2.424 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.180 -9.806 -3.676 1.00 0.00 C ATOM 0 H LEU A 15 -0.932 -9.455 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 15 1.157 -11.544 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.127 -10.130 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.209 -11.263 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 15 1.561 -8.711 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.267 -7.553 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.539 -7.978 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.715 -8.942 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.871 -8.963 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.381 -10.408 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.314 -10.418 -4.568 1.00 0.00 H new ATOM 194 N GLU A 16 -0.517 -13.162 -4.184 1.00 0.00 N ATOM 195 CA GLU A 16 -1.525 -14.188 -3.944 1.00 0.00 C ATOM 196 C GLU A 16 -1.438 -14.713 -2.514 1.00 0.00 C ATOM 197 O GLU A 16 -0.528 -15.468 -2.172 1.00 0.00 O ATOM 198 CB GLU A 16 -1.356 -15.342 -4.934 1.00 0.00 C ATOM 199 CG GLU A 16 -1.627 -14.951 -6.377 1.00 0.00 C ATOM 200 CD GLU A 16 -2.109 -16.118 -7.217 1.00 0.00 C ATOM 201 OE1 GLU A 16 -1.282 -16.995 -7.544 1.00 0.00 O ATOM 202 OE2 GLU A 16 -3.313 -16.154 -7.547 1.00 0.00 O ATOM 0 H GLU A 16 0.425 -13.419 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.507 -13.737 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.341 -15.730 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.029 -16.152 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.375 -14.158 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.716 -14.544 -6.816 1.00 0.00 H new ATOM 209 N LYS A 17 -2.391 -14.306 -1.682 1.00 0.00 N ATOM 210 CA LYS A 17 -2.424 -14.734 -0.288 1.00 0.00 C ATOM 211 C LYS A 17 -3.544 -15.743 -0.056 1.00 0.00 C ATOM 212 O LYS A 17 -4.321 -16.042 -0.963 1.00 0.00 O ATOM 213 CB LYS A 17 -2.611 -13.527 0.633 1.00 0.00 C ATOM 214 CG LYS A 17 -4.057 -13.077 0.760 1.00 0.00 C ATOM 215 CD LYS A 17 -4.240 -12.108 1.916 1.00 0.00 C ATOM 216 CE LYS A 17 -4.044 -10.667 1.472 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.394 -9.702 2.551 1.00 0.00 N ATOM 0 H LYS A 17 -3.151 -13.680 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.473 -15.214 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.228 -13.773 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.013 -12.697 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.374 -12.601 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.698 -13.946 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.238 -12.227 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.529 -12.346 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.007 -10.517 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.660 -10.470 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.378 -8.734 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.345 -9.916 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.703 -9.781 3.325 1.00 0.00 H new ATOM 231 N ARG A 18 -3.623 -16.263 1.165 1.00 0.00 N ATOM 232 CA ARG A 18 -4.648 -17.238 1.515 1.00 0.00 C ATOM 233 C ARG A 18 -5.849 -16.555 2.163 1.00 0.00 C ATOM 234 O ARG A 18 -5.701 -15.562 2.876 1.00 0.00 O ATOM 235 CB ARG A 18 -4.076 -18.293 2.464 1.00 0.00 C ATOM 236 CG ARG A 18 -3.138 -19.278 1.784 1.00 0.00 C ATOM 237 CD ARG A 18 -2.933 -20.526 2.629 1.00 0.00 C ATOM 238 NE ARG A 18 -2.511 -21.669 1.824 1.00 0.00 N ATOM 239 CZ ARG A 18 -2.361 -22.895 2.311 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.600 -23.137 3.593 1.00 0.00 N ATOM 241 NH2 ARG A 18 -1.973 -23.884 1.515 1.00 0.00 N ATOM 0 H ARG A 18 -2.989 -16.025 1.928 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.979 -17.725 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.541 -17.792 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.899 -18.843 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.545 -19.558 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.176 -18.799 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.184 -20.326 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.861 -20.770 3.146 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.321 -21.517 0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.900 -22.380 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.484 -24.080 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.790 -23.702 0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.858 -24.825 1.890 1.00 0.00 H new ATOM 255 N ARG A 19 -7.037 -17.093 1.910 1.00 0.00 N ATOM 256 CA ARG A 19 -8.264 -16.534 2.466 1.00 0.00 C ATOM 257 C ARG A 19 -8.112 -16.271 3.961 1.00 0.00 C ATOM 258 O ARG A 19 -7.747 -17.164 4.725 1.00 0.00 O ATOM 259 CB ARG A 19 -9.439 -17.483 2.221 1.00 0.00 C ATOM 260 CG ARG A 19 -10.798 -16.830 2.410 1.00 0.00 C ATOM 261 CD ARG A 19 -11.291 -16.187 1.123 1.00 0.00 C ATOM 262 NE ARG A 19 -11.902 -17.162 0.223 1.00 0.00 N ATOM 263 CZ ARG A 19 -11.997 -16.991 -1.091 1.00 0.00 C ATOM 264 NH1 ARG A 19 -11.523 -15.889 -1.655 1.00 0.00 N ATOM 265 NH2 ARG A 19 -12.567 -17.923 -1.843 1.00 0.00 N ATOM 0 H ARG A 19 -7.177 -17.916 1.323 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.461 -15.586 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.372 -17.876 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.356 -18.333 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.518 -17.577 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.734 -16.075 3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.016 -15.409 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.456 -15.701 0.618 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.276 -18.021 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.084 -15.170 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.597 -15.760 -2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.933 -18.772 -1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.639 -17.791 -2.852 1.00 0.00 H new ATOM 279 N GLY A 20 -8.393 -15.039 4.372 1.00 0.00 N ATOM 280 CA GLY A 20 -8.281 -14.680 5.774 1.00 0.00 C ATOM 281 C GLY A 20 -6.849 -14.716 6.269 1.00 0.00 C ATOM 282 O GLY A 20 -6.591 -15.083 7.415 1.00 0.00 O ATOM 0 H GLY A 20 -8.696 -14.282 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.689 -13.680 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.886 -15.363 6.370 1.00 0.00 H new ATOM 286 N GLU A 21 -5.915 -14.336 5.403 1.00 0.00 N ATOM 287 CA GLU A 21 -4.501 -14.330 5.759 1.00 0.00 C ATOM 288 C GLU A 21 -4.001 -12.904 5.976 1.00 0.00 C ATOM 289 O GLU A 21 -3.897 -12.121 5.034 1.00 0.00 O ATOM 290 CB GLU A 21 -3.674 -15.010 4.666 1.00 0.00 C ATOM 291 CG GLU A 21 -2.174 -14.893 4.876 1.00 0.00 C ATOM 292 CD GLU A 21 -1.632 -15.951 5.818 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.241 -17.038 5.903 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.599 -15.691 6.470 1.00 0.00 O ATOM 0 H GLU A 21 -6.112 -14.029 4.451 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.385 -14.884 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.945 -16.065 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.933 -14.573 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.669 -14.976 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.943 -13.905 5.274 1.00 0.00 H new ATOM 301 N GLY A 22 -3.695 -12.576 7.228 1.00 0.00 N ATOM 302 CA GLY A 22 -3.211 -11.246 7.548 1.00 0.00 C ATOM 303 C GLY A 22 -2.195 -10.741 6.543 1.00 0.00 C ATOM 304 O GLY A 22 -1.047 -11.187 6.531 1.00 0.00 O ATOM 0 H GLY A 22 -3.774 -13.207 8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.054 -10.556 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.761 -11.256 8.541 1.00 0.00 H new ATOM 308 N LEU A 23 -2.617 -9.809 5.695 1.00 0.00 N ATOM 309 CA LEU A 23 -1.736 -9.243 4.679 1.00 0.00 C ATOM 310 C LEU A 23 -0.307 -9.128 5.201 1.00 0.00 C ATOM 311 O LEU A 23 0.654 -9.330 4.459 1.00 0.00 O ATOM 312 CB LEU A 23 -2.244 -7.868 4.244 1.00 0.00 C ATOM 313 CG LEU A 23 -1.893 -7.443 2.817 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.446 -6.058 2.521 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.386 -7.473 2.608 1.00 0.00 C ATOM 0 H LEU A 23 -3.564 -9.429 5.691 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.737 -9.912 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.329 -7.854 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.847 -7.122 4.932 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.351 -8.150 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.186 -5.773 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.531 -6.068 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.018 -5.339 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.154 -7.168 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.092 -6.789 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.015 -8.484 2.778 1.00 0.00 H new ATOM 327 N GLY A 24 -0.174 -8.803 6.483 1.00 0.00 N ATOM 328 CA GLY A 24 1.141 -8.669 7.083 1.00 0.00 C ATOM 329 C GLY A 24 1.854 -7.408 6.638 1.00 0.00 C ATOM 330 O GLY A 24 2.947 -7.470 6.076 1.00 0.00 O ATOM 0 H GLY A 24 -0.954 -8.630 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.043 -8.664 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.747 -9.537 6.822 1.00 0.00 H new ATOM 334 N VAL A 25 1.234 -6.259 6.890 1.00 0.00 N ATOM 335 CA VAL A 25 1.817 -4.977 6.512 1.00 0.00 C ATOM 336 C VAL A 25 1.491 -3.900 7.541 1.00 0.00 C ATOM 337 O VAL A 25 0.388 -3.862 8.085 1.00 0.00 O ATOM 338 CB VAL A 25 1.316 -4.520 5.129 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.920 -5.381 4.030 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.203 -4.558 5.074 1.00 0.00 C ATOM 0 H VAL A 25 0.328 -6.190 7.354 1.00 0.00 H new ATOM 0 HA VAL A 25 2.897 -5.119 6.470 1.00 0.00 H new ATOM 0 HB VAL A 25 1.637 -3.491 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.554 -5.043 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.006 -5.297 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.633 -6.421 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.540 -4.232 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.548 -5.575 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.611 -3.894 5.836 1.00 0.00 H new ATOM 350 N ALA A 26 2.457 -3.026 7.801 1.00 0.00 N ATOM 351 CA ALA A 26 2.272 -1.947 8.763 1.00 0.00 C ATOM 352 C ALA A 26 2.504 -0.587 8.113 1.00 0.00 C ATOM 353 O ALA A 26 3.632 -0.241 7.759 1.00 0.00 O ATOM 354 CB ALA A 26 3.205 -2.132 9.950 1.00 0.00 C ATOM 0 H ALA A 26 3.376 -3.044 7.359 1.00 0.00 H new ATOM 0 HA ALA A 26 1.241 -1.981 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.056 -1.319 10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.990 -3.083 10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.239 -2.127 9.604 1.00 0.00 H new ATOM 360 N LEU A 27 1.431 0.180 7.957 1.00 0.00 N ATOM 361 CA LEU A 27 1.517 1.503 7.348 1.00 0.00 C ATOM 362 C LEU A 27 1.394 2.597 8.404 1.00 0.00 C ATOM 363 O LEU A 27 0.933 2.351 9.518 1.00 0.00 O ATOM 364 CB LEU A 27 0.424 1.673 6.292 1.00 0.00 C ATOM 365 CG LEU A 27 0.357 0.589 5.216 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.071 0.413 4.723 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.285 0.928 4.058 1.00 0.00 C ATOM 0 H LEU A 27 0.491 -0.091 8.244 1.00 0.00 H new ATOM 0 HA LEU A 27 2.492 1.593 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.540 1.714 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.567 2.636 5.801 1.00 0.00 H new ATOM 0 HG LEU A 27 0.686 -0.352 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.099 -0.363 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.711 0.123 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.429 1.352 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.224 0.145 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.987 1.880 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.310 1.001 4.422 1.00 0.00 H new ATOM 379 N VAL A 28 1.809 3.808 8.045 1.00 0.00 N ATOM 380 CA VAL A 28 1.742 4.941 8.960 1.00 0.00 C ATOM 381 C VAL A 28 1.455 6.237 8.209 1.00 0.00 C ATOM 382 O VAL A 28 1.307 6.238 6.988 1.00 0.00 O ATOM 383 CB VAL A 28 3.053 5.100 9.753 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.164 4.024 10.822 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.251 5.058 8.816 1.00 0.00 C ATOM 0 H VAL A 28 2.195 4.029 7.127 1.00 0.00 H new ATOM 0 HA VAL A 28 0.927 4.739 9.656 1.00 0.00 H new ATOM 0 HB VAL A 28 3.042 6.071 10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.096 4.152 11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.323 4.106 11.510 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.153 3.041 10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.169 5.172 9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.269 4.103 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.175 5.869 8.092 1.00 0.00 H new ATOM 395 N GLU A 29 1.378 7.339 8.950 1.00 0.00 N ATOM 396 CA GLU A 29 1.108 8.642 8.353 1.00 0.00 C ATOM 397 C GLU A 29 2.407 9.395 8.080 1.00 0.00 C ATOM 398 O GLU A 29 3.339 9.358 8.883 1.00 0.00 O ATOM 399 CB GLU A 29 0.208 9.471 9.272 1.00 0.00 C ATOM 400 CG GLU A 29 -1.261 9.092 9.189 1.00 0.00 C ATOM 401 CD GLU A 29 -2.172 10.158 9.766 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.314 11.224 9.132 1.00 0.00 O ATOM 403 OE2 GLU A 29 -2.743 9.925 10.852 1.00 0.00 O ATOM 0 H GLU A 29 1.499 7.355 9.963 1.00 0.00 H new ATOM 0 HA GLU A 29 0.596 8.480 7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.547 9.353 10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.317 10.526 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.529 8.916 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.421 8.155 9.722 1.00 0.00 H new ATOM 410 N SER A 30 2.460 10.077 6.941 1.00 0.00 N ATOM 411 CA SER A 30 3.646 10.835 6.558 1.00 0.00 C ATOM 412 C SER A 30 3.265 12.052 5.720 1.00 0.00 C ATOM 413 O SER A 30 2.820 11.920 4.581 1.00 0.00 O ATOM 414 CB SER A 30 4.616 9.947 5.777 1.00 0.00 C ATOM 415 OG SER A 30 4.825 8.713 6.442 1.00 0.00 O ATOM 0 H SER A 30 1.696 10.121 6.267 1.00 0.00 H new ATOM 0 HA SER A 30 4.135 11.181 7.469 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.222 9.763 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.568 10.463 5.654 1.00 0.00 H new ATOM 0 HG SER A 30 5.656 8.305 6.120 1.00 0.00 H new ATOM 421 N GLY A 31 3.444 13.238 6.294 1.00 0.00 N ATOM 422 CA GLY A 31 3.115 14.461 5.586 1.00 0.00 C ATOM 423 C GLY A 31 3.998 15.623 5.996 1.00 0.00 C ATOM 424 O GLY A 31 4.553 15.632 7.095 1.00 0.00 O ATOM 0 H GLY A 31 3.811 13.373 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.214 14.294 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.072 14.717 5.774 1.00 0.00 H new ATOM 428 N TRP A 32 4.129 16.605 5.112 1.00 0.00 N ATOM 429 CA TRP A 32 4.953 17.777 5.387 1.00 0.00 C ATOM 430 C TRP A 32 4.109 18.915 5.951 1.00 0.00 C ATOM 431 O TRP A 32 4.349 20.084 5.654 1.00 0.00 O ATOM 432 CB TRP A 32 5.665 18.236 4.114 1.00 0.00 C ATOM 433 CG TRP A 32 6.591 17.204 3.546 1.00 0.00 C ATOM 434 CD1 TRP A 32 6.238 16.057 2.892 1.00 0.00 C ATOM 435 CD2 TRP A 32 8.022 17.222 3.583 1.00 0.00 C ATOM 436 NE1 TRP A 32 7.364 15.363 2.521 1.00 0.00 N ATOM 437 CE2 TRP A 32 8.471 16.057 2.932 1.00 0.00 C ATOM 438 CE3 TRP A 32 8.968 18.111 4.101 1.00 0.00 C ATOM 439 CZ2 TRP A 32 9.824 15.759 2.788 1.00 0.00 C ATOM 440 CZ3 TRP A 32 10.310 17.814 3.958 1.00 0.00 C ATOM 441 CH2 TRP A 32 10.728 16.647 3.305 1.00 0.00 C ATOM 0 H TRP A 32 3.675 16.613 4.198 1.00 0.00 H new ATOM 0 HA TRP A 32 5.699 17.499 6.131 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.919 18.497 3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.231 19.142 4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.224 15.743 2.696 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.374 14.474 2.020 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.656 19.014 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.148 14.859 2.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 11.049 18.493 4.356 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.784 16.444 3.208 1.00 0.00 H new ATOM 452 N GLY A 33 3.120 18.564 6.768 1.00 0.00 N ATOM 453 CA GLY A 33 2.256 19.569 7.360 1.00 0.00 C ATOM 454 C GLY A 33 1.181 20.046 6.404 1.00 0.00 C ATOM 455 O GLY A 33 0.055 19.548 6.427 1.00 0.00 O ATOM 0 H GLY A 33 2.902 17.603 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.787 19.159 8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.859 20.420 7.678 1.00 0.00 H new ATOM 459 N SER A 34 1.527 21.014 5.562 1.00 0.00 N ATOM 460 CA SER A 34 0.581 21.562 4.597 1.00 0.00 C ATOM 461 C SER A 34 0.256 20.539 3.513 1.00 0.00 C ATOM 462 O SER A 34 -0.910 20.301 3.197 1.00 0.00 O ATOM 463 CB SER A 34 1.147 22.833 3.961 1.00 0.00 C ATOM 464 OG SER A 34 0.203 23.432 3.091 1.00 0.00 O ATOM 0 H SER A 34 2.455 21.435 5.528 1.00 0.00 H new ATOM 0 HA SER A 34 -0.339 21.808 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.427 23.540 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.055 22.593 3.408 1.00 0.00 H new ATOM 0 HG SER A 34 0.588 24.243 2.699 1.00 0.00 H new ATOM 470 N LEU A 35 1.296 19.936 2.947 1.00 0.00 N ATOM 471 CA LEU A 35 1.123 18.938 1.897 1.00 0.00 C ATOM 472 C LEU A 35 0.221 17.802 2.369 1.00 0.00 C ATOM 473 O LEU A 35 0.232 17.434 3.545 1.00 0.00 O ATOM 474 CB LEU A 35 2.482 18.381 1.467 1.00 0.00 C ATOM 475 CG LEU A 35 3.180 19.121 0.326 1.00 0.00 C ATOM 476 CD1 LEU A 35 3.845 20.389 0.840 1.00 0.00 C ATOM 477 CD2 LEU A 35 4.200 18.218 -0.351 1.00 0.00 C ATOM 0 H LEU A 35 2.267 20.121 3.197 1.00 0.00 H new ATOM 0 HA LEU A 35 0.649 19.423 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.144 18.383 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.348 17.341 1.171 1.00 0.00 H new ATOM 0 HG LEU A 35 2.429 19.403 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.337 20.902 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.091 21.044 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.584 20.130 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.687 18.762 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.948 17.905 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.697 17.340 -0.755 1.00 0.00 H new ATOM 489 N LEU A 36 -0.556 17.248 1.446 1.00 0.00 N ATOM 490 CA LEU A 36 -1.463 16.151 1.767 1.00 0.00 C ATOM 491 C LEU A 36 -0.689 14.927 2.244 1.00 0.00 C ATOM 492 O LEU A 36 0.401 14.622 1.758 1.00 0.00 O ATOM 493 CB LEU A 36 -2.310 15.789 0.545 1.00 0.00 C ATOM 494 CG LEU A 36 -3.575 16.621 0.335 1.00 0.00 C ATOM 495 CD1 LEU A 36 -3.974 16.626 -1.132 1.00 0.00 C ATOM 496 CD2 LEU A 36 -4.712 16.090 1.197 1.00 0.00 C ATOM 0 H LEU A 36 -0.577 17.540 0.469 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.120 16.479 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.687 15.881 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.598 14.741 0.625 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.365 17.647 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.877 17.223 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.167 17.054 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.165 15.604 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.604 16.694 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.921 15.055 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.426 16.140 2.248 1.00 0.00 H new ATOM 508 N PRO A 37 -1.264 14.205 3.217 1.00 0.00 N ATOM 509 CA PRO A 37 -0.647 13.000 3.779 1.00 0.00 C ATOM 510 C PRO A 37 -0.636 11.839 2.791 1.00 0.00 C ATOM 511 O PRO A 37 -1.473 11.768 1.890 1.00 0.00 O ATOM 512 CB PRO A 37 -1.539 12.672 4.980 1.00 0.00 C ATOM 513 CG PRO A 37 -2.860 13.273 4.645 1.00 0.00 C ATOM 514 CD PRO A 37 -2.562 14.509 3.843 1.00 0.00 C ATOM 0 HA PRO A 37 0.399 13.161 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.620 11.596 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.134 13.093 5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.472 12.575 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.417 13.519 5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.333 14.699 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.505 15.395 4.476 1.00 0.00 H new ATOM 522 N THR A 38 0.318 10.930 2.964 1.00 0.00 N ATOM 523 CA THR A 38 0.439 9.772 2.087 1.00 0.00 C ATOM 524 C THR A 38 0.596 8.487 2.891 1.00 0.00 C ATOM 525 O THR A 38 0.966 8.519 4.064 1.00 0.00 O ATOM 526 CB THR A 38 1.638 9.915 1.130 1.00 0.00 C ATOM 527 OG1 THR A 38 2.836 10.148 1.878 1.00 0.00 O ATOM 528 CG2 THR A 38 1.415 11.057 0.150 1.00 0.00 C ATOM 0 H THR A 38 1.019 10.973 3.704 1.00 0.00 H new ATOM 0 HA THR A 38 -0.480 9.721 1.502 1.00 0.00 H new ATOM 0 HB THR A 38 1.737 8.988 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.594 10.236 1.263 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.275 11.139 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.518 10.862 -0.438 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.292 11.990 0.700 1.00 0.00 H new ATOM 536 N ALA A 39 0.313 7.356 2.252 1.00 0.00 N ATOM 537 CA ALA A 39 0.425 6.059 2.908 1.00 0.00 C ATOM 538 C ALA A 39 1.831 5.488 2.758 1.00 0.00 C ATOM 539 O ALA A 39 2.293 5.234 1.646 1.00 0.00 O ATOM 540 CB ALA A 39 -0.603 5.091 2.342 1.00 0.00 C ATOM 0 H ALA A 39 0.005 7.312 1.281 1.00 0.00 H new ATOM 0 HA ALA A 39 0.229 6.199 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.508 4.127 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.605 5.487 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.434 4.965 1.273 1.00 0.00 H new ATOM 546 N VAL A 40 2.507 5.289 3.885 1.00 0.00 N ATOM 547 CA VAL A 40 3.861 4.748 3.879 1.00 0.00 C ATOM 548 C VAL A 40 3.958 3.501 4.750 1.00 0.00 C ATOM 549 O VAL A 40 3.366 3.437 5.828 1.00 0.00 O ATOM 550 CB VAL A 40 4.884 5.788 4.375 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.294 5.221 4.315 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.780 7.067 3.558 1.00 0.00 C ATOM 0 H VAL A 40 2.139 5.494 4.814 1.00 0.00 H new ATOM 0 HA VAL A 40 4.092 4.486 2.847 1.00 0.00 H new ATOM 0 HB VAL A 40 4.659 6.027 5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.003 5.970 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.357 4.335 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.534 4.952 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.509 7.791 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.979 6.846 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.777 7.482 3.657 1.00 0.00 H new ATOM 562 N ILE A 41 4.709 2.512 4.277 1.00 0.00 N ATOM 563 CA ILE A 41 4.884 1.267 5.014 1.00 0.00 C ATOM 564 C ILE A 41 5.848 1.450 6.181 1.00 0.00 C ATOM 565 O ILE A 41 7.061 1.530 5.991 1.00 0.00 O ATOM 566 CB ILE A 41 5.409 0.142 4.102 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.409 -0.142 2.979 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.674 -1.117 4.913 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.038 -0.766 1.753 1.00 0.00 C ATOM 0 H ILE A 41 5.206 2.549 3.387 1.00 0.00 H new ATOM 0 HA ILE A 41 3.903 0.986 5.396 1.00 0.00 H new ATOM 0 HB ILE A 41 6.348 0.466 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.631 -0.806 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.922 0.790 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.044 -1.903 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.419 -0.906 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.749 -1.446 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.271 -0.939 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.797 -0.094 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.501 -1.715 2.024 1.00 0.00 H new ATOM 581 N ALA A 42 5.299 1.515 7.390 1.00 0.00 N ATOM 582 CA ALA A 42 6.110 1.685 8.589 1.00 0.00 C ATOM 583 C ALA A 42 6.983 0.460 8.839 1.00 0.00 C ATOM 584 O ALA A 42 8.166 0.583 9.156 1.00 0.00 O ATOM 585 CB ALA A 42 5.221 1.957 9.793 1.00 0.00 C ATOM 0 H ALA A 42 4.296 1.452 7.565 1.00 0.00 H new ATOM 0 HA ALA A 42 6.767 2.541 8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.840 2.082 10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.645 2.866 9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.541 1.118 9.940 1.00 0.00 H new ATOM 591 N ASN A 43 6.392 -0.722 8.696 1.00 0.00 N ATOM 592 CA ASN A 43 7.117 -1.970 8.908 1.00 0.00 C ATOM 593 C ASN A 43 6.401 -3.136 8.234 1.00 0.00 C ATOM 594 O ASN A 43 5.207 -3.060 7.941 1.00 0.00 O ATOM 595 CB ASN A 43 7.269 -2.247 10.405 1.00 0.00 C ATOM 596 CG ASN A 43 8.268 -3.352 10.690 1.00 0.00 C ATOM 597 OD1 ASN A 43 9.468 -3.191 10.466 1.00 0.00 O ATOM 598 ND2 ASN A 43 7.776 -4.481 11.186 1.00 0.00 N ATOM 0 H ASN A 43 5.413 -0.842 8.434 1.00 0.00 H new ATOM 0 HA ASN A 43 8.106 -1.867 8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.586 -1.335 10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.300 -2.521 10.821 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.400 -5.260 11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.774 -4.570 11.356 1.00 0.00 H new ATOM 605 N LEU A 44 7.138 -4.214 7.990 1.00 0.00 N ATOM 606 CA LEU A 44 6.574 -5.398 7.351 1.00 0.00 C ATOM 607 C LEU A 44 7.053 -6.671 8.041 1.00 0.00 C ATOM 608 O LEU A 44 8.113 -6.688 8.669 1.00 0.00 O ATOM 609 CB LEU A 44 6.956 -5.432 5.870 1.00 0.00 C ATOM 610 CG LEU A 44 6.404 -4.296 5.008 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.852 -4.457 3.563 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.886 -4.250 5.095 1.00 0.00 C ATOM 0 H LEU A 44 8.127 -4.293 8.225 1.00 0.00 H new ATOM 0 HA LEU A 44 5.489 -5.346 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.043 -5.422 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.616 -6.378 5.449 1.00 0.00 H new ATOM 0 HG LEU A 44 6.798 -3.353 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.450 -3.640 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.941 -4.440 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.487 -5.407 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.511 -3.436 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.473 -5.195 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.586 -4.087 6.130 1.00 0.00 H new ATOM 624 N LEU A 45 6.268 -7.735 7.920 1.00 0.00 N ATOM 625 CA LEU A 45 6.613 -9.014 8.530 1.00 0.00 C ATOM 626 C LEU A 45 7.319 -9.923 7.529 1.00 0.00 C ATOM 627 O LEU A 45 6.690 -10.480 6.629 1.00 0.00 O ATOM 628 CB LEU A 45 5.356 -9.703 9.063 1.00 0.00 C ATOM 629 CG LEU A 45 5.578 -10.772 10.134 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.268 -11.117 10.824 1.00 0.00 C ATOM 631 CD2 LEU A 45 6.205 -12.016 9.523 1.00 0.00 C ATOM 0 H LEU A 45 5.388 -7.738 7.405 1.00 0.00 H new ATOM 0 HA LEU A 45 7.293 -8.820 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.694 -8.940 9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.834 -10.162 8.223 1.00 0.00 H new ATOM 0 HG LEU A 45 6.264 -10.373 10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.446 -11.879 11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.859 -10.224 11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.558 -11.496 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.356 -12.766 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.544 -12.417 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.165 -11.758 9.077 1.00 0.00 H new ATOM 643 N HIS A 46 8.630 -10.069 7.693 1.00 0.00 N ATOM 644 CA HIS A 46 9.422 -10.913 6.805 1.00 0.00 C ATOM 645 C HIS A 46 8.776 -12.285 6.640 1.00 0.00 C ATOM 646 O HIS A 46 8.816 -13.114 7.549 1.00 0.00 O ATOM 647 CB HIS A 46 10.843 -11.067 7.346 1.00 0.00 C ATOM 648 CG HIS A 46 11.726 -9.893 7.054 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.604 -9.124 5.916 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.748 -9.356 7.760 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.514 -8.167 5.934 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.221 -8.285 7.043 1.00 0.00 N ATOM 0 H HIS A 46 9.166 -9.614 8.432 1.00 0.00 H new ATOM 0 HA HIS A 46 9.464 -10.431 5.828 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.798 -11.218 8.425 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.291 -11.963 6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.122 -9.705 8.711 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.656 -7.416 5.171 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.993 -7.679 7.322 1.00 0.00 H new ATOM 660 N GLY A 47 8.180 -12.518 5.475 1.00 0.00 N ATOM 661 CA GLY A 47 7.534 -13.791 5.213 1.00 0.00 C ATOM 662 C GLY A 47 6.132 -13.626 4.661 1.00 0.00 C ATOM 663 O GLY A 47 5.643 -14.480 3.922 1.00 0.00 O ATOM 0 H GLY A 47 8.133 -11.848 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.135 -14.361 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.492 -14.371 6.135 1.00 0.00 H new ATOM 667 N GLY A 48 5.481 -12.524 5.021 1.00 0.00 N ATOM 668 CA GLY A 48 4.132 -12.271 4.549 1.00 0.00 C ATOM 669 C GLY A 48 4.038 -12.272 3.036 1.00 0.00 C ATOM 670 O GLY A 48 5.041 -12.378 2.330 1.00 0.00 O ATOM 0 H GLY A 48 5.864 -11.802 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.461 -13.029 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.791 -11.309 4.931 1.00 0.00 H new ATOM 674 N PRO A 49 2.807 -12.153 2.516 1.00 0.00 N ATOM 675 CA PRO A 49 2.556 -12.139 1.072 1.00 0.00 C ATOM 676 C PRO A 49 3.066 -10.866 0.407 1.00 0.00 C ATOM 677 O PRO A 49 3.533 -10.893 -0.731 1.00 0.00 O ATOM 678 CB PRO A 49 1.030 -12.218 0.976 1.00 0.00 C ATOM 679 CG PRO A 49 0.540 -11.649 2.263 1.00 0.00 C ATOM 680 CD PRO A 49 1.566 -12.023 3.298 1.00 0.00 C ATOM 0 HA PRO A 49 3.072 -12.952 0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.657 -11.649 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.694 -13.247 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.431 -10.567 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.439 -12.052 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.655 -11.259 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.308 -12.955 3.801 1.00 0.00 H new ATOM 688 N ALA A 50 2.975 -9.751 1.125 1.00 0.00 N ATOM 689 CA ALA A 50 3.430 -8.468 0.605 1.00 0.00 C ATOM 690 C ALA A 50 4.941 -8.324 0.743 1.00 0.00 C ATOM 691 O ALA A 50 5.591 -7.684 -0.083 1.00 0.00 O ATOM 692 CB ALA A 50 2.722 -7.327 1.321 1.00 0.00 C ATOM 0 H ALA A 50 2.590 -9.711 2.069 1.00 0.00 H new ATOM 0 HA ALA A 50 3.183 -8.426 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.072 -6.375 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.646 -7.412 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.940 -7.376 2.388 1.00 0.00 H new ATOM 698 N GLU A 51 5.495 -8.924 1.792 1.00 0.00 N ATOM 699 CA GLU A 51 6.931 -8.861 2.038 1.00 0.00 C ATOM 700 C GLU A 51 7.672 -9.903 1.204 1.00 0.00 C ATOM 701 O GLU A 51 8.685 -9.602 0.573 1.00 0.00 O ATOM 702 CB GLU A 51 7.227 -9.077 3.523 1.00 0.00 C ATOM 703 CG GLU A 51 8.661 -8.758 3.911 1.00 0.00 C ATOM 704 CD GLU A 51 9.126 -7.417 3.376 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.360 -7.316 2.153 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.256 -6.470 4.179 1.00 0.00 O ATOM 0 H GLU A 51 4.971 -9.459 2.485 1.00 0.00 H new ATOM 0 HA GLU A 51 7.280 -7.871 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.553 -8.456 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.012 -10.114 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.749 -8.762 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.318 -9.542 3.535 1.00 0.00 H new ATOM 713 N ARG A 52 7.159 -11.129 1.208 1.00 0.00 N ATOM 714 CA ARG A 52 7.772 -12.216 0.454 1.00 0.00 C ATOM 715 C ARG A 52 8.204 -11.741 -0.930 1.00 0.00 C ATOM 716 O ARG A 52 9.241 -12.160 -1.445 1.00 0.00 O ATOM 717 CB ARG A 52 6.797 -13.387 0.322 1.00 0.00 C ATOM 718 CG ARG A 52 5.550 -13.053 -0.482 1.00 0.00 C ATOM 719 CD ARG A 52 4.803 -14.311 -0.898 1.00 0.00 C ATOM 720 NE ARG A 52 4.261 -15.031 0.251 1.00 0.00 N ATOM 721 CZ ARG A 52 3.317 -15.961 0.156 1.00 0.00 C ATOM 722 NH1 ARG A 52 2.814 -16.282 -1.028 1.00 0.00 N ATOM 723 NH2 ARG A 52 2.874 -16.572 1.247 1.00 0.00 N ATOM 0 H ARG A 52 6.321 -11.394 1.725 1.00 0.00 H new ATOM 0 HA ARG A 52 8.656 -12.548 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.310 -14.225 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.500 -13.716 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.893 -12.417 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.829 -12.484 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.991 -14.043 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.476 -14.966 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 52 4.627 -14.808 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.152 -15.815 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.089 -16.996 -1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.258 -16.328 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.149 -17.286 1.173 1.00 0.00 H new ATOM 737 N SER A 53 7.402 -10.866 -1.528 1.00 0.00 N ATOM 738 CA SER A 53 7.699 -10.338 -2.854 1.00 0.00 C ATOM 739 C SER A 53 9.139 -9.840 -2.930 1.00 0.00 C ATOM 740 O SER A 53 9.870 -10.162 -3.866 1.00 0.00 O ATOM 741 CB SER A 53 6.735 -9.201 -3.201 1.00 0.00 C ATOM 742 OG SER A 53 7.073 -8.015 -2.503 1.00 0.00 O ATOM 0 H SER A 53 6.541 -10.508 -1.115 1.00 0.00 H new ATOM 0 HA SER A 53 7.573 -11.145 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.759 -9.014 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.716 -9.495 -2.952 1.00 0.00 H new ATOM 0 HG SER A 53 6.571 -7.976 -1.662 1.00 0.00 H new ATOM 748 N GLY A 54 9.540 -9.051 -1.938 1.00 0.00 N ATOM 749 CA GLY A 54 10.890 -8.521 -1.911 1.00 0.00 C ATOM 750 C GLY A 54 10.961 -7.088 -2.401 1.00 0.00 C ATOM 751 O GLY A 54 11.759 -6.294 -1.905 1.00 0.00 O ATOM 0 H GLY A 54 8.953 -8.769 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.277 -8.573 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.535 -9.145 -2.530 1.00 0.00 H new ATOM 755 N ALA A 55 10.124 -6.758 -3.379 1.00 0.00 N ATOM 756 CA ALA A 55 10.094 -5.411 -3.936 1.00 0.00 C ATOM 757 C ALA A 55 9.418 -4.435 -2.978 1.00 0.00 C ATOM 758 O ALA A 55 9.843 -3.287 -2.844 1.00 0.00 O ATOM 759 CB ALA A 55 9.382 -5.412 -5.280 1.00 0.00 C ATOM 0 H ALA A 55 9.458 -7.405 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 55 11.123 -5.082 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.367 -4.400 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.909 -6.071 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.359 -5.766 -5.150 1.00 0.00 H new ATOM 765 N LEU A 56 8.365 -4.898 -2.315 1.00 0.00 N ATOM 766 CA LEU A 56 7.629 -4.066 -1.369 1.00 0.00 C ATOM 767 C LEU A 56 8.279 -4.105 0.010 1.00 0.00 C ATOM 768 O LEU A 56 8.229 -5.121 0.702 1.00 0.00 O ATOM 769 CB LEU A 56 6.175 -4.531 -1.274 1.00 0.00 C ATOM 770 CG LEU A 56 5.455 -4.758 -2.603 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.386 -5.831 -2.455 1.00 0.00 C ATOM 772 CD2 LEU A 56 4.843 -3.460 -3.108 1.00 0.00 C ATOM 0 H LEU A 56 8.001 -5.846 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 56 7.652 -3.039 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.148 -5.461 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.615 -3.792 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 56 6.186 -5.100 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.884 -5.979 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.850 -6.766 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.657 -5.518 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.335 -3.642 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.126 -3.087 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.630 -2.720 -3.254 1.00 0.00 H new ATOM 784 N SER A 57 8.887 -2.990 0.404 1.00 0.00 N ATOM 785 CA SER A 57 9.548 -2.897 1.700 1.00 0.00 C ATOM 786 C SER A 57 9.182 -1.594 2.404 1.00 0.00 C ATOM 787 O SER A 57 8.383 -0.806 1.898 1.00 0.00 O ATOM 788 CB SER A 57 11.065 -2.990 1.531 1.00 0.00 C ATOM 789 OG SER A 57 11.533 -2.037 0.593 1.00 0.00 O ATOM 0 H SER A 57 8.935 -2.139 -0.156 1.00 0.00 H new ATOM 0 HA SER A 57 9.207 -3.730 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.552 -2.828 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.337 -3.993 1.201 1.00 0.00 H new ATOM 0 HG SER A 57 12.506 -2.116 0.504 1.00 0.00 H new ATOM 795 N ILE A 58 9.774 -1.374 3.574 1.00 0.00 N ATOM 796 CA ILE A 58 9.512 -0.167 4.347 1.00 0.00 C ATOM 797 C ILE A 58 9.963 1.078 3.591 1.00 0.00 C ATOM 798 O ILE A 58 11.146 1.241 3.292 1.00 0.00 O ATOM 799 CB ILE A 58 10.220 -0.209 5.714 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.696 -1.380 6.548 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.023 1.106 6.454 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.469 -2.663 6.341 1.00 0.00 C ATOM 0 H ILE A 58 10.438 -2.016 4.007 1.00 0.00 H new ATOM 0 HA ILE A 58 8.435 -0.122 4.507 1.00 0.00 H new ATOM 0 HB ILE A 58 11.288 -0.354 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.733 -1.109 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.649 -1.552 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.529 1.060 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.440 1.922 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.958 1.279 6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.042 -3.449 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.411 -2.958 5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.512 -2.508 6.617 1.00 0.00 H new ATOM 814 N GLY A 59 9.013 1.957 3.287 1.00 0.00 N ATOM 815 CA GLY A 59 9.332 3.177 2.570 1.00 0.00 C ATOM 816 C GLY A 59 8.388 3.434 1.413 1.00 0.00 C ATOM 817 O GLY A 59 7.786 4.504 1.320 1.00 0.00 O ATOM 0 H GLY A 59 8.027 1.845 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.294 4.020 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.354 3.118 2.195 1.00 0.00 H new ATOM 821 N ASP A 60 8.260 2.453 0.527 1.00 0.00 N ATOM 822 CA ASP A 60 7.382 2.578 -0.631 1.00 0.00 C ATOM 823 C ASP A 60 6.088 3.294 -0.258 1.00 0.00 C ATOM 824 O ASP A 60 5.588 3.152 0.858 1.00 0.00 O ATOM 825 CB ASP A 60 7.067 1.198 -1.210 1.00 0.00 C ATOM 826 CG ASP A 60 8.317 0.384 -1.482 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.344 0.985 -1.862 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.269 -0.853 -1.316 1.00 0.00 O ATOM 0 H ASP A 60 8.753 1.562 0.588 1.00 0.00 H new ATOM 0 HA ASP A 60 7.899 3.171 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.427 0.654 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.505 1.316 -2.137 1.00 0.00 H new ATOM 833 N ARG A 61 5.552 4.065 -1.198 1.00 0.00 N ATOM 834 CA ARG A 61 4.318 4.806 -0.967 1.00 0.00 C ATOM 835 C ARG A 61 3.160 4.189 -1.747 1.00 0.00 C ATOM 836 O ARG A 61 3.145 4.212 -2.978 1.00 0.00 O ATOM 837 CB ARG A 61 4.494 6.271 -1.369 1.00 0.00 C ATOM 838 CG ARG A 61 3.267 7.127 -1.105 1.00 0.00 C ATOM 839 CD ARG A 61 2.243 6.993 -2.222 1.00 0.00 C ATOM 840 NE ARG A 61 1.310 8.115 -2.247 1.00 0.00 N ATOM 841 CZ ARG A 61 1.565 9.270 -2.852 1.00 0.00 C ATOM 842 NH1 ARG A 61 2.719 9.453 -3.479 1.00 0.00 N ATOM 843 NH2 ARG A 61 0.665 10.245 -2.831 1.00 0.00 N ATOM 0 H ARG A 61 5.953 4.193 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 61 4.086 4.754 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.342 6.689 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.740 6.321 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.814 6.834 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.565 8.171 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.758 6.929 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.688 6.063 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 61 0.413 8.006 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.413 8.706 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.912 10.341 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.224 10.108 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.862 11.131 -3.296 1.00 0.00 H new ATOM 857 N LEU A 62 2.192 3.639 -1.022 1.00 0.00 N ATOM 858 CA LEU A 62 1.030 3.015 -1.645 1.00 0.00 C ATOM 859 C LEU A 62 -0.016 4.062 -2.016 1.00 0.00 C ATOM 860 O LEU A 62 -0.221 5.035 -1.290 1.00 0.00 O ATOM 861 CB LEU A 62 0.418 1.977 -0.704 1.00 0.00 C ATOM 862 CG LEU A 62 -0.858 1.293 -1.197 1.00 0.00 C ATOM 863 CD1 LEU A 62 -0.953 -0.121 -0.645 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.084 2.104 -0.805 1.00 0.00 C ATOM 0 H LEU A 62 2.189 3.613 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 62 1.360 2.518 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.166 1.208 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.202 2.462 0.248 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.819 1.235 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.867 -0.592 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.091 -0.700 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.969 -0.086 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.982 1.602 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.128 2.195 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.021 3.097 -1.250 1.00 0.00 H new ATOM 876 N THR A 63 -0.677 3.854 -3.150 1.00 0.00 N ATOM 877 CA THR A 63 -1.703 4.778 -3.617 1.00 0.00 C ATOM 878 C THR A 63 -3.072 4.109 -3.650 1.00 0.00 C ATOM 879 O THR A 63 -4.069 4.691 -3.224 1.00 0.00 O ATOM 880 CB THR A 63 -1.374 5.320 -5.021 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.475 4.268 -5.988 1.00 0.00 O ATOM 882 CG2 THR A 63 0.025 5.916 -5.057 1.00 0.00 C ATOM 0 H THR A 63 -0.520 3.053 -3.762 1.00 0.00 H new ATOM 0 HA THR A 63 -1.725 5.608 -2.911 1.00 0.00 H new ATOM 0 HB THR A 63 -2.092 6.104 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.831 3.562 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.235 6.292 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.090 6.735 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.754 5.148 -4.798 1.00 0.00 H new ATOM 890 N ALA A 64 -3.114 2.882 -4.160 1.00 0.00 N ATOM 891 CA ALA A 64 -4.361 2.133 -4.246 1.00 0.00 C ATOM 892 C ALA A 64 -4.166 0.689 -3.796 1.00 0.00 C ATOM 893 O ALA A 64 -3.047 0.267 -3.501 1.00 0.00 O ATOM 894 CB ALA A 64 -4.906 2.176 -5.666 1.00 0.00 C ATOM 0 H ALA A 64 -2.298 2.386 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.084 2.600 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.838 1.612 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.092 3.211 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.179 1.736 -6.348 1.00 0.00 H new ATOM 900 N ILE A 65 -5.260 -0.063 -3.746 1.00 0.00 N ATOM 901 CA ILE A 65 -5.208 -1.460 -3.333 1.00 0.00 C ATOM 902 C ILE A 65 -6.330 -2.266 -3.978 1.00 0.00 C ATOM 903 O ILE A 65 -7.491 -2.158 -3.586 1.00 0.00 O ATOM 904 CB ILE A 65 -5.307 -1.598 -1.802 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.990 -1.181 -1.144 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.668 -3.026 -1.421 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.037 -1.201 0.368 1.00 0.00 C ATOM 0 H ILE A 65 -6.193 0.272 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.246 -1.851 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.096 -0.937 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.197 -1.847 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.728 -0.177 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.734 -3.107 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.629 -3.289 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.900 -3.706 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.070 -0.894 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.807 -0.514 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.268 -2.209 0.712 1.00 0.00 H new ATOM 919 N ASN A 66 -5.974 -3.077 -4.970 1.00 0.00 N ATOM 920 CA ASN A 66 -6.950 -3.903 -5.669 1.00 0.00 C ATOM 921 C ASN A 66 -7.985 -3.038 -6.382 1.00 0.00 C ATOM 922 O ASN A 66 -9.148 -3.419 -6.508 1.00 0.00 O ATOM 923 CB ASN A 66 -7.647 -4.847 -4.687 1.00 0.00 C ATOM 924 CG ASN A 66 -6.925 -6.173 -4.548 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.799 -6.928 -5.513 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.447 -6.463 -3.344 1.00 0.00 N ATOM 0 H ASN A 66 -5.017 -3.179 -5.307 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.420 -4.493 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.712 -4.368 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.669 -5.026 -5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.952 -7.341 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.575 -5.807 -2.573 1.00 0.00 H new ATOM 933 N GLY A 67 -7.553 -1.869 -6.846 1.00 0.00 N ATOM 934 CA GLY A 67 -8.454 -0.967 -7.540 1.00 0.00 C ATOM 935 C GLY A 67 -8.938 0.164 -6.655 1.00 0.00 C ATOM 936 O GLY A 67 -9.305 1.233 -7.144 1.00 0.00 O ATOM 0 H GLY A 67 -6.595 -1.531 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.947 -0.551 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.312 -1.529 -7.909 1.00 0.00 H new ATOM 940 N THR A 68 -8.942 -0.071 -5.346 1.00 0.00 N ATOM 941 CA THR A 68 -9.388 0.935 -4.390 1.00 0.00 C ATOM 942 C THR A 68 -8.397 2.090 -4.306 1.00 0.00 C ATOM 943 O THR A 68 -7.189 1.895 -4.432 1.00 0.00 O ATOM 944 CB THR A 68 -9.575 0.331 -2.986 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.599 1.041 -2.280 1.00 0.00 O ATOM 946 CG2 THR A 68 -8.276 0.384 -2.196 1.00 0.00 C ATOM 0 H THR A 68 -8.641 -0.950 -4.924 1.00 0.00 H new ATOM 0 HA THR A 68 -10.348 1.308 -4.748 1.00 0.00 H new ATOM 0 HB THR A 68 -9.869 -0.712 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.713 0.650 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.433 -0.048 -1.208 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.507 -0.182 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.956 1.421 -2.092 1.00 0.00 H new ATOM 954 N SER A 69 -8.917 3.295 -4.092 1.00 0.00 N ATOM 955 CA SER A 69 -8.078 4.483 -3.993 1.00 0.00 C ATOM 956 C SER A 69 -7.783 4.821 -2.535 1.00 0.00 C ATOM 957 O SER A 69 -8.693 4.914 -1.711 1.00 0.00 O ATOM 958 CB SER A 69 -8.758 5.671 -4.677 1.00 0.00 C ATOM 959 OG SER A 69 -7.967 6.842 -4.569 1.00 0.00 O ATOM 0 H SER A 69 -9.915 3.474 -3.984 1.00 0.00 H new ATOM 0 HA SER A 69 -7.134 4.274 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.930 5.440 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.735 5.845 -4.225 1.00 0.00 H new ATOM 0 HG SER A 69 -8.422 7.586 -5.015 1.00 0.00 H new ATOM 965 N LEU A 70 -6.504 5.003 -2.224 1.00 0.00 N ATOM 966 CA LEU A 70 -6.087 5.331 -0.865 1.00 0.00 C ATOM 967 C LEU A 70 -5.071 6.469 -0.867 1.00 0.00 C ATOM 968 O LEU A 70 -4.277 6.609 0.063 1.00 0.00 O ATOM 969 CB LEU A 70 -5.488 4.100 -0.184 1.00 0.00 C ATOM 970 CG LEU A 70 -6.351 2.838 -0.199 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.581 1.657 0.372 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.639 3.063 0.579 1.00 0.00 C ATOM 0 H LEU A 70 -5.738 4.929 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.967 5.655 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.537 3.871 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.269 4.354 0.853 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.610 2.611 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.212 0.768 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.688 1.481 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.291 1.874 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.241 2.154 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.401 3.316 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.200 3.880 0.126 1.00 0.00 H new ATOM 984 N VAL A 71 -5.104 7.283 -1.918 1.00 0.00 N ATOM 985 CA VAL A 71 -4.189 8.412 -2.040 1.00 0.00 C ATOM 986 C VAL A 71 -4.766 9.660 -1.382 1.00 0.00 C ATOM 987 O VAL A 71 -5.973 9.892 -1.418 1.00 0.00 O ATOM 988 CB VAL A 71 -3.873 8.722 -3.515 1.00 0.00 C ATOM 989 CG1 VAL A 71 -5.129 9.171 -4.247 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.781 9.776 -3.616 1.00 0.00 C ATOM 0 H VAL A 71 -5.755 7.181 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.268 8.129 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.511 7.810 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.886 9.386 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.877 8.380 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.524 10.070 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.571 9.983 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.112 10.691 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.876 9.411 -3.130 1.00 0.00 H new ATOM 1000 N GLY A 72 -3.893 10.462 -0.780 1.00 0.00 N ATOM 1001 CA GLY A 72 -4.334 11.678 -0.122 1.00 0.00 C ATOM 1002 C GLY A 72 -5.402 11.418 0.922 1.00 0.00 C ATOM 1003 O GLY A 72 -6.126 12.331 1.321 1.00 0.00 O ATOM 0 H GLY A 72 -2.888 10.291 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.479 12.162 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.721 12.371 -0.869 1.00 0.00 H new ATOM 1007 N LEU A 73 -5.504 10.169 1.364 1.00 0.00 N ATOM 1008 CA LEU A 73 -6.493 9.791 2.366 1.00 0.00 C ATOM 1009 C LEU A 73 -5.833 9.552 3.720 1.00 0.00 C ATOM 1010 O LEU A 73 -4.633 9.293 3.817 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.242 8.533 1.923 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.472 8.759 1.043 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -8.965 7.441 0.466 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -9.576 9.442 1.836 1.00 0.00 C ATOM 0 H LEU A 73 -4.914 9.401 1.044 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.202 10.612 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.546 7.892 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.553 7.987 2.814 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.189 9.411 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.841 7.622 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.177 6.990 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.231 6.765 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.444 9.595 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.857 8.815 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.220 10.406 2.200 1.00 0.00 H new ATOM 1026 N PRO A 74 -6.634 9.640 4.793 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.149 9.435 6.161 1.00 0.00 C ATOM 1028 C PRO A 74 -5.780 7.980 6.433 1.00 0.00 C ATOM 1029 O PRO A 74 -6.454 7.061 5.966 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.340 9.855 7.026 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.531 9.653 6.155 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.073 9.946 4.753 1.00 0.00 C ATOM 0 HA PRO A 74 -5.239 10.001 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.404 9.251 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.253 10.894 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.907 8.633 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.345 10.317 6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.595 9.328 4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.255 10.985 4.480 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.708 7.779 7.191 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.250 6.435 7.527 1.00 0.00 C ATOM 1042 C LEU A 75 -5.430 5.513 7.814 1.00 0.00 C ATOM 1043 O LEU A 75 -5.516 4.411 7.274 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.317 6.480 8.738 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.891 5.127 9.308 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -1.889 4.450 8.386 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.306 5.296 10.703 1.00 0.00 C ATOM 0 H LEU A 75 -4.140 8.529 7.585 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.704 6.040 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.420 7.033 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.808 7.046 9.529 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.773 4.491 9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.598 3.488 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.343 4.294 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.007 5.082 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.008 4.323 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.435 5.950 10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.055 5.737 11.361 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.340 5.973 8.667 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.518 5.191 9.023 1.00 0.00 C ATOM 1061 C ALA A 76 -8.083 4.465 7.807 1.00 0.00 C ATOM 1062 O ALA A 76 -8.291 3.253 7.838 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.578 6.088 9.644 1.00 0.00 C ATOM 0 H ALA A 76 -6.284 6.883 9.124 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.218 4.440 9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.452 5.491 9.905 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.177 6.557 10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.866 6.860 8.930 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.328 5.214 6.737 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.868 4.641 5.511 1.00 0.00 C ATOM 1071 C ALA A 77 -8.030 3.455 5.044 1.00 0.00 C ATOM 1072 O ALA A 77 -8.554 2.364 4.816 1.00 0.00 O ATOM 1073 CB ALA A 77 -8.941 5.700 4.421 1.00 0.00 C ATOM 0 H ALA A 77 -8.161 6.219 6.695 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.875 4.281 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.346 5.258 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.587 6.515 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.942 6.087 4.222 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.728 3.676 4.903 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.817 2.626 4.461 1.00 0.00 C ATOM 1081 C CYS A 78 -5.894 1.416 5.387 1.00 0.00 C ATOM 1082 O CYS A 78 -5.918 0.274 4.930 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.383 3.154 4.409 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.113 4.435 3.162 1.00 0.00 S ATOM 0 H CYS A 78 -6.279 4.573 5.088 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.117 2.315 3.460 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.119 3.554 5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.708 2.322 4.211 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.514 5.452 3.707 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.930 1.676 6.690 1.00 0.00 N ATOM 1091 CA GLN A 79 -6.000 0.607 7.680 1.00 0.00 C ATOM 1092 C GLN A 79 -7.252 -0.240 7.478 1.00 0.00 C ATOM 1093 O GLN A 79 -7.206 -1.466 7.576 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.989 1.191 9.094 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.592 1.356 9.672 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.575 2.217 10.919 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.567 2.867 11.253 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.445 2.228 11.617 1.00 0.00 N ATOM 0 H GLN A 79 -5.912 2.616 7.085 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.126 -0.031 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.485 2.161 9.081 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.571 0.544 9.750 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.182 0.374 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.941 1.801 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.647 1.675 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.375 2.790 12.465 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.369 0.422 7.194 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.633 -0.271 6.976 1.00 0.00 C ATOM 1109 C ALA A 80 -9.590 -1.104 5.700 1.00 0.00 C ATOM 1110 O ALA A 80 -10.076 -2.234 5.669 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.779 0.728 6.918 1.00 0.00 C ATOM 0 H ALA A 80 -8.424 1.437 7.110 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.797 -0.948 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.717 0.197 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.832 1.276 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.611 1.427 6.099 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.005 -0.539 4.649 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.897 -1.231 3.371 1.00 0.00 C ATOM 1119 C ALA A 81 -7.943 -2.416 3.467 1.00 0.00 C ATOM 1120 O ALA A 81 -8.322 -3.555 3.193 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.437 -0.267 2.287 1.00 0.00 C ATOM 0 H ALA A 81 -8.599 0.396 4.658 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.883 -1.613 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.360 -0.797 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.158 0.545 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.463 0.142 2.554 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.702 -2.142 3.858 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.694 -3.186 3.991 1.00 0.00 C ATOM 1129 C VAL A 82 -6.240 -4.383 4.761 1.00 0.00 C ATOM 1130 O VAL A 82 -5.768 -5.508 4.596 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.434 -2.662 4.705 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.744 -2.322 6.155 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.309 -3.683 4.617 1.00 0.00 C ATOM 0 H VAL A 82 -6.371 -1.205 4.088 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.427 -3.498 2.981 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.107 -1.750 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.842 -1.953 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.516 -1.553 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.097 -3.215 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.426 -3.297 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.624 -4.613 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.070 -3.872 3.570 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.239 -4.133 5.601 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.850 -5.191 6.398 1.00 0.00 C ATOM 1145 C ARG A 83 -8.758 -6.064 5.537 1.00 0.00 C ATOM 1146 O ARG A 83 -8.786 -7.285 5.689 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.650 -4.589 7.554 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.789 -4.154 8.729 1.00 0.00 C ATOM 1149 CD ARG A 83 -8.604 -3.400 9.768 1.00 0.00 C ATOM 1150 NE ARG A 83 -9.628 -4.245 10.378 1.00 0.00 N ATOM 1151 CZ ARG A 83 -10.145 -4.019 11.581 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -9.738 -2.981 12.298 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -11.073 -4.833 12.068 1.00 0.00 N ATOM 0 H ARG A 83 -7.643 -3.208 5.748 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.053 -5.814 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.211 -3.729 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.379 -5.321 7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.331 -5.029 9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.977 -3.520 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.939 -3.019 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.077 -2.536 9.301 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.964 -5.052 9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.026 -2.353 11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.137 -2.811 13.221 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.389 -5.632 11.519 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.470 -4.659 12.991 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.498 -5.429 4.633 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.408 -6.149 3.750 1.00 0.00 C ATOM 1169 C GLU A 84 -9.678 -7.267 3.011 1.00 0.00 C ATOM 1170 O GLU A 84 -10.103 -8.422 3.033 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.044 -5.187 2.743 1.00 0.00 C ATOM 1172 CG GLU A 84 -11.958 -4.155 3.381 1.00 0.00 C ATOM 1173 CD GLU A 84 -12.787 -3.400 2.360 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.248 -2.461 1.738 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.973 -3.747 2.184 1.00 0.00 O ATOM 0 H GLU A 84 -9.485 -4.419 4.493 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.192 -6.594 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.254 -4.672 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.613 -5.763 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.623 -4.651 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.358 -3.447 3.952 1.00 0.00 H new ATOM 1182 N THR A 85 -8.576 -6.915 2.357 1.00 0.00 N ATOM 1183 CA THR A 85 -7.787 -7.886 1.610 1.00 0.00 C ATOM 1184 C THR A 85 -7.629 -9.184 2.393 1.00 0.00 C ATOM 1185 O THR A 85 -7.614 -10.272 1.816 1.00 0.00 O ATOM 1186 CB THR A 85 -6.391 -7.332 1.267 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.645 -7.109 2.469 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.502 -6.033 0.483 1.00 0.00 C ATOM 0 H THR A 85 -8.209 -5.964 2.330 1.00 0.00 H new ATOM 0 HA THR A 85 -8.326 -8.087 0.684 1.00 0.00 H new ATOM 0 HB THR A 85 -5.873 -8.066 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.066 -6.391 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.504 -5.661 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.046 -6.213 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.036 -5.293 1.079 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.510 -9.064 3.711 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.354 -10.228 4.575 1.00 0.00 C ATOM 1198 C LYS A 86 -8.136 -11.419 4.030 1.00 0.00 C ATOM 1199 O LYS A 86 -7.656 -12.552 4.052 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.825 -9.902 5.994 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.524 -10.998 7.002 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.275 -10.780 8.304 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.934 -11.849 9.331 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.383 -11.468 10.698 1.00 0.00 N ATOM 0 H LYS A 86 -7.519 -8.171 4.204 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.297 -10.491 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.350 -8.978 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.900 -9.720 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.797 -11.966 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.452 -11.027 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.030 -9.797 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.348 -10.788 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.402 -12.791 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.857 -12.017 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.132 -12.222 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.917 -10.583 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.414 -11.332 10.699 1.00 0.00 H new ATOM 1218 N SER A 87 -9.343 -11.154 3.540 1.00 0.00 N ATOM 1219 CA SER A 87 -10.193 -12.204 2.991 1.00 0.00 C ATOM 1220 C SER A 87 -9.752 -12.578 1.579 1.00 0.00 C ATOM 1221 O SER A 87 -9.607 -13.756 1.254 1.00 0.00 O ATOM 1222 CB SER A 87 -11.654 -11.753 2.978 1.00 0.00 C ATOM 1223 OG SER A 87 -12.492 -12.753 2.425 1.00 0.00 O ATOM 0 H SER A 87 -9.754 -10.221 3.512 1.00 0.00 H new ATOM 0 HA SER A 87 -10.098 -13.083 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.976 -11.525 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.749 -10.834 2.400 1.00 0.00 H new ATOM 0 HG SER A 87 -13.421 -12.441 2.430 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.540 -11.565 0.745 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.116 -11.786 -0.633 1.00 0.00 C ATOM 1231 C GLN A 88 -7.793 -12.543 -0.680 1.00 0.00 C ATOM 1232 O GLN A 88 -6.858 -12.229 0.058 1.00 0.00 O ATOM 1233 CB GLN A 88 -8.980 -10.451 -1.367 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.270 -9.647 -1.412 1.00 0.00 C ATOM 1235 CD GLN A 88 -10.444 -8.756 -0.198 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -10.805 -9.223 0.883 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -10.187 -7.464 -0.369 1.00 0.00 N ATOM 0 H GLN A 88 -9.655 -10.584 0.999 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.877 -12.389 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.207 -9.856 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.643 -10.639 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.280 -9.033 -2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.117 -10.330 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.890 -7.120 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.286 -6.816 0.413 1.00 0.00 H new ATOM 1246 N THR A 89 -7.720 -13.543 -1.553 1.00 0.00 N ATOM 1247 CA THR A 89 -6.512 -14.346 -1.696 1.00 0.00 C ATOM 1248 C THR A 89 -5.512 -13.674 -2.631 1.00 0.00 C ATOM 1249 O THR A 89 -4.493 -14.262 -2.993 1.00 0.00 O ATOM 1250 CB THR A 89 -6.833 -15.753 -2.233 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.631 -15.655 -3.418 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.569 -16.576 -1.187 1.00 0.00 C ATOM 0 H THR A 89 -8.484 -13.816 -2.172 1.00 0.00 H new ATOM 0 HA THR A 89 -6.073 -14.436 -0.702 1.00 0.00 H new ATOM 0 HB THR A 89 -5.893 -16.251 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.829 -16.554 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.785 -17.566 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.947 -16.674 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.503 -16.079 -0.924 1.00 0.00 H new ATOM 1260 N SER A 90 -5.809 -12.437 -3.017 1.00 0.00 N ATOM 1261 CA SER A 90 -4.937 -11.686 -3.913 1.00 0.00 C ATOM 1262 C SER A 90 -4.739 -10.260 -3.408 1.00 0.00 C ATOM 1263 O SER A 90 -5.648 -9.660 -2.834 1.00 0.00 O ATOM 1264 CB SER A 90 -5.522 -11.662 -5.326 1.00 0.00 C ATOM 1265 OG SER A 90 -6.666 -10.829 -5.391 1.00 0.00 O ATOM 0 H SER A 90 -6.646 -11.934 -2.723 1.00 0.00 H new ATOM 0 HA SER A 90 -3.967 -12.183 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.769 -11.306 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.788 -12.674 -5.630 1.00 0.00 H new ATOM 0 HG SER A 90 -7.020 -10.830 -6.305 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.543 -9.722 -3.626 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.224 -8.367 -3.194 1.00 0.00 C ATOM 1273 C VAL A 91 -2.457 -7.612 -4.274 1.00 0.00 C ATOM 1274 O VAL A 91 -1.288 -7.898 -4.536 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.393 -8.371 -1.898 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -1.956 -6.959 -1.538 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.184 -8.999 -0.760 1.00 0.00 C ATOM 0 H VAL A 91 -2.779 -10.204 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.173 -7.864 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.498 -8.971 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.370 -6.983 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.349 -6.549 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.836 -6.332 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.581 -8.994 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.097 -8.428 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.441 -10.026 -1.019 1.00 0.00 H new ATOM 1287 N THR A 92 -3.122 -6.647 -4.900 1.00 0.00 N ATOM 1288 CA THR A 92 -2.504 -5.851 -5.953 1.00 0.00 C ATOM 1289 C THR A 92 -2.191 -4.441 -5.465 1.00 0.00 C ATOM 1290 O THR A 92 -3.077 -3.588 -5.390 1.00 0.00 O ATOM 1291 CB THR A 92 -3.409 -5.763 -7.196 1.00 0.00 C ATOM 1292 OG1 THR A 92 -4.005 -7.038 -7.460 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.616 -5.307 -8.412 1.00 0.00 C ATOM 0 H THR A 92 -4.090 -6.397 -4.696 1.00 0.00 H new ATOM 0 HA THR A 92 -1.575 -6.353 -6.224 1.00 0.00 H new ATOM 0 HB THR A 92 -4.192 -5.031 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.580 -6.973 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.276 -5.252 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.188 -4.323 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.815 -6.018 -8.611 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.927 -4.201 -5.135 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.498 -2.892 -4.655 1.00 0.00 C ATOM 1303 C LEU A 93 0.030 -2.037 -5.803 1.00 0.00 C ATOM 1304 O LEU A 93 0.462 -2.558 -6.831 1.00 0.00 O ATOM 1305 CB LEU A 93 0.583 -3.049 -3.583 1.00 0.00 C ATOM 1306 CG LEU A 93 0.227 -3.950 -2.400 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.465 -4.256 -1.571 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.846 -3.300 -1.538 1.00 0.00 C ATOM 0 H LEU A 93 -0.182 -4.895 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.363 -2.391 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.482 -3.443 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.832 -2.060 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.167 -4.889 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.192 -4.898 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.203 -4.764 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.888 -3.326 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.087 -3.955 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.479 -2.346 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.741 -3.132 -2.137 1.00 0.00 H new ATOM 1320 N SER A 94 -0.007 -0.721 -5.619 1.00 0.00 N ATOM 1321 CA SER A 94 0.466 0.207 -6.639 1.00 0.00 C ATOM 1322 C SER A 94 1.197 1.387 -6.005 1.00 0.00 C ATOM 1323 O SER A 94 0.616 2.145 -5.228 1.00 0.00 O ATOM 1324 CB SER A 94 -0.707 0.713 -7.482 1.00 0.00 C ATOM 1325 OG SER A 94 -0.929 -0.126 -8.602 1.00 0.00 O ATOM 0 H SER A 94 -0.360 -0.274 -4.773 1.00 0.00 H new ATOM 0 HA SER A 94 1.165 -0.327 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.608 0.754 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.505 1.729 -7.819 1.00 0.00 H new ATOM 0 HG SER A 94 -1.542 -0.849 -8.353 1.00 0.00 H new ATOM 1331 N ILE A 95 2.474 1.533 -6.341 1.00 0.00 N ATOM 1332 CA ILE A 95 3.284 2.620 -5.806 1.00 0.00 C ATOM 1333 C ILE A 95 3.937 3.423 -6.926 1.00 0.00 C ATOM 1334 O ILE A 95 3.875 3.041 -8.095 1.00 0.00 O ATOM 1335 CB ILE A 95 4.381 2.092 -4.862 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.361 1.204 -5.630 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.759 1.327 -3.704 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.541 1.959 -6.200 1.00 0.00 C ATOM 0 H ILE A 95 2.970 0.912 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 95 2.611 3.267 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 95 4.931 2.941 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.727 0.422 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.830 0.709 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.546 0.960 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.097 1.988 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.187 0.484 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.194 1.266 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.185 2.724 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.096 2.432 -5.390 1.00 0.00 H new ATOM 1350 N VAL A 96 4.563 4.537 -6.561 1.00 0.00 N ATOM 1351 CA VAL A 96 5.231 5.393 -7.535 1.00 0.00 C ATOM 1352 C VAL A 96 6.723 5.089 -7.602 1.00 0.00 C ATOM 1353 O VAL A 96 7.475 5.410 -6.681 1.00 0.00 O ATOM 1354 CB VAL A 96 5.036 6.883 -7.198 1.00 0.00 C ATOM 1355 CG1 VAL A 96 5.785 7.757 -8.192 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.556 7.235 -7.176 1.00 0.00 C ATOM 0 H VAL A 96 4.622 4.868 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 96 4.778 5.185 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 96 5.445 7.070 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.636 8.807 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.849 7.522 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.408 7.570 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.437 8.292 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.119 7.033 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.050 6.632 -6.422 1.00 0.00 H new ATOM 1366 N HIS A 97 7.146 4.469 -8.699 1.00 0.00 N ATOM 1367 CA HIS A 97 8.551 4.122 -8.887 1.00 0.00 C ATOM 1368 C HIS A 97 9.459 5.230 -8.362 1.00 0.00 C ATOM 1369 O HIS A 97 9.351 6.384 -8.779 1.00 0.00 O ATOM 1370 CB HIS A 97 8.841 3.867 -10.366 1.00 0.00 C ATOM 1371 CG HIS A 97 10.282 3.577 -10.653 1.00 0.00 C ATOM 1372 ND1 HIS A 97 10.955 4.104 -11.735 1.00 0.00 N ATOM 1373 CD2 HIS A 97 11.179 2.811 -9.990 1.00 0.00 C ATOM 1374 CE1 HIS A 97 12.204 3.673 -11.726 1.00 0.00 C ATOM 1375 NE2 HIS A 97 12.366 2.887 -10.677 1.00 0.00 N ATOM 0 H HIS A 97 6.537 4.197 -9.471 1.00 0.00 H new ATOM 0 HA HIS A 97 8.754 3.212 -8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.235 3.027 -10.707 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.532 4.738 -10.944 1.00 0.00 H new ATOM 0 HD2 HIS A 97 10.996 2.245 -9.089 1.00 0.00 H new ATOM 0 HE1 HIS A 97 12.963 3.921 -12.453 1.00 0.00 H new ATOM 0 HE2 HIS A 97 13.232 2.413 -10.419 1.00 0.00 H new ATOM 1383 N CYS A 98 10.351 4.872 -7.446 1.00 0.00 N ATOM 1384 CA CYS A 98 11.277 5.836 -6.863 1.00 0.00 C ATOM 1385 C CYS A 98 12.639 5.197 -6.608 1.00 0.00 C ATOM 1386 O CYS A 98 12.764 3.981 -6.464 1.00 0.00 O ATOM 1387 CB CYS A 98 10.710 6.394 -5.557 1.00 0.00 C ATOM 1388 SG CYS A 98 9.485 7.705 -5.784 1.00 0.00 S ATOM 0 H CYS A 98 10.453 3.921 -7.091 1.00 0.00 H new ATOM 0 HA CYS A 98 11.406 6.653 -7.573 1.00 0.00 H new ATOM 0 HB2 CYS A 98 10.254 5.579 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.531 6.779 -4.952 1.00 0.00 H new ATOM 0 HG CYS A 98 8.366 7.187 -6.196 1.00 0.00 H new ATOM 1394 N PRO A 99 13.685 6.035 -6.552 1.00 0.00 N ATOM 1395 CA PRO A 99 15.056 5.574 -6.316 1.00 0.00 C ATOM 1396 C PRO A 99 15.260 5.068 -4.892 1.00 0.00 C ATOM 1397 O PRO A 99 14.432 5.282 -4.007 1.00 0.00 O ATOM 1398 CB PRO A 99 15.899 6.828 -6.563 1.00 0.00 C ATOM 1399 CG PRO A 99 14.975 7.965 -6.295 1.00 0.00 C ATOM 1400 CD PRO A 99 13.609 7.497 -6.714 1.00 0.00 C ATOM 0 HA PRO A 99 15.319 4.733 -6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.766 6.858 -5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.276 6.857 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.987 8.237 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.273 8.851 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 99 12.827 7.930 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.387 7.776 -7.744 1.00 0.00 H new ATOM 1408 N PRO A 100 16.389 4.381 -4.664 1.00 0.00 N ATOM 1409 CA PRO A 100 16.729 3.831 -3.348 1.00 0.00 C ATOM 1410 C PRO A 100 17.071 4.918 -2.336 1.00 0.00 C ATOM 1411 O PRO A 100 17.881 5.803 -2.609 1.00 0.00 O ATOM 1412 CB PRO A 100 17.956 2.961 -3.633 1.00 0.00 C ATOM 1413 CG PRO A 100 18.566 3.556 -4.855 1.00 0.00 C ATOM 1414 CD PRO A 100 17.422 4.089 -5.672 1.00 0.00 C ATOM 0 HA PRO A 100 15.895 3.285 -2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.654 2.974 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 100 17.674 1.921 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 100 19.264 4.352 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 100 19.129 2.808 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.707 4.983 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 100 17.075 3.358 -6.403 1.00 0.00 H new ATOM 1422 N VAL A 101 16.447 4.847 -1.164 1.00 0.00 N ATOM 1423 CA VAL A 101 16.686 5.825 -0.109 1.00 0.00 C ATOM 1424 C VAL A 101 17.878 5.423 0.752 1.00 0.00 C ATOM 1425 O VAL A 101 18.347 4.287 0.691 1.00 0.00 O ATOM 1426 CB VAL A 101 15.449 5.992 0.792 1.00 0.00 C ATOM 1427 CG1 VAL A 101 15.096 4.675 1.466 1.00 0.00 C ATOM 1428 CG2 VAL A 101 15.687 7.082 1.826 1.00 0.00 C ATOM 0 H VAL A 101 15.772 4.122 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 101 16.899 6.775 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 101 14.606 6.291 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 101 14.219 4.814 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 101 14.880 3.924 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 101 15.935 4.343 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 101 14.803 7.187 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 101 16.543 6.815 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 101 15.886 8.027 1.320 1.00 0.00 H new TER 1438 VAL A 101