USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 42 MET CE :methyl -179:sc= -4.02 (180deg=-1.58) USER MOD Set 1.2: A 61 MET CE :methyl -149:sc= -6.41! (180deg=-2.9!) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0.0773 USER MOD Set 2.2: A 64 THR OG1 : rot -82:sc= 0.992 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.07 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 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.1!) USER MOD Single : A 21 ASN : amide:sc= -2.4 K(o=-2.4,f=-8.5!) USER MOD Single : A 23 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 111:sc= 1.16 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.83! USER MOD Single : A 50 THR OG1 : rot 41:sc= 0.0862 USER MOD Single : A 57 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0776 K(o=-0.078,f=-1.9!) USER MOD Single : A 60 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.58) USER MOD Single : A 68 SER OG : rot 180:sc= -0.217 USER MOD Single : A 69 HIS : no HD1:sc= -0.688 X(o=-0.69,f=-0.77) USER MOD Single : A 70 SER OG : rot 150:sc=-0.00733 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -161:sc= -0.078 (180deg=-0.219) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc=-0.00269 (180deg=-0.133) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.959 16.961 -28.581 1.00 0.00 N ATOM 2 CA GLY A 1 -14.490 17.763 -27.465 1.00 0.00 C ATOM 3 C GLY A 1 -14.980 17.191 -26.134 1.00 0.00 C ATOM 4 O GLY A 1 -16.183 17.056 -25.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.613 17.370 -29.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.602 15.989 -28.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.999 16.948 -28.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.401 17.798 -27.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.843 18.788 -27.576 1.00 0.00 H new ATOM 8 N SER A 2 -14.023 16.869 -25.276 1.00 0.00 N ATOM 9 CA SER A 2 -14.342 16.314 -23.971 1.00 0.00 C ATOM 10 C SER A 2 -13.057 16.070 -23.178 1.00 0.00 C ATOM 11 O SER A 2 -12.456 15.001 -23.277 1.00 0.00 O ATOM 12 CB SER A 2 -15.139 15.015 -24.106 1.00 0.00 C ATOM 13 OG SER A 2 -14.385 13.990 -24.748 1.00 0.00 O ATOM 0 H SER A 2 -13.026 16.982 -25.459 1.00 0.00 H new ATOM 0 HA SER A 2 -14.960 17.033 -23.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.446 14.674 -23.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.049 15.206 -24.675 1.00 0.00 H new ATOM 0 HG SER A 2 -13.457 14.020 -24.433 1.00 0.00 H new ATOM 19 N SER A 3 -12.674 17.078 -22.409 1.00 0.00 N ATOM 20 CA SER A 3 -11.471 16.986 -21.599 1.00 0.00 C ATOM 21 C SER A 3 -11.835 16.598 -20.164 1.00 0.00 C ATOM 22 O SER A 3 -11.369 15.580 -19.655 1.00 0.00 O ATOM 23 CB SER A 3 -10.696 18.305 -21.612 1.00 0.00 C ATOM 24 OG SER A 3 -9.777 18.373 -22.699 1.00 0.00 O ATOM 0 H SER A 3 -13.175 17.963 -22.329 1.00 0.00 H new ATOM 0 HA SER A 3 -10.829 16.215 -22.026 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.397 19.137 -21.677 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.155 18.417 -20.672 1.00 0.00 H new ATOM 0 HG SER A 3 -9.303 19.230 -22.674 1.00 0.00 H new ATOM 30 N GLY A 4 -12.663 17.431 -19.552 1.00 0.00 N ATOM 31 CA GLY A 4 -13.095 17.189 -18.186 1.00 0.00 C ATOM 32 C GLY A 4 -13.890 15.886 -18.085 1.00 0.00 C ATOM 33 O GLY A 4 -13.484 14.958 -17.387 1.00 0.00 O ATOM 0 H GLY A 4 -13.047 18.275 -19.977 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.226 17.141 -17.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.709 18.021 -17.842 1.00 0.00 H new ATOM 37 N SER A 5 -15.010 15.857 -18.794 1.00 0.00 N ATOM 38 CA SER A 5 -15.866 14.683 -18.793 1.00 0.00 C ATOM 39 C SER A 5 -15.012 13.413 -18.816 1.00 0.00 C ATOM 40 O SER A 5 -15.111 12.578 -17.919 1.00 0.00 O ATOM 41 CB SER A 5 -16.825 14.699 -19.985 1.00 0.00 C ATOM 42 OG SER A 5 -17.412 13.422 -20.216 1.00 0.00 O ATOM 0 H SER A 5 -15.344 16.628 -19.373 1.00 0.00 H new ATOM 0 HA SER A 5 -16.463 14.696 -17.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.611 15.433 -19.807 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.288 15.018 -20.878 1.00 0.00 H new ATOM 0 HG SER A 5 -18.019 13.475 -20.984 1.00 0.00 H new ATOM 48 N SER A 6 -14.193 13.308 -19.852 1.00 0.00 N ATOM 49 CA SER A 6 -13.323 12.154 -20.004 1.00 0.00 C ATOM 50 C SER A 6 -12.730 11.764 -18.649 1.00 0.00 C ATOM 51 O SER A 6 -12.901 10.633 -18.195 1.00 0.00 O ATOM 52 CB SER A 6 -12.206 12.435 -21.011 1.00 0.00 C ATOM 53 OG SER A 6 -11.157 11.475 -20.927 1.00 0.00 O ATOM 0 H SER A 6 -14.113 14.003 -20.594 1.00 0.00 H new ATOM 0 HA SER A 6 -13.919 11.325 -20.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.619 12.433 -22.020 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.801 13.431 -20.834 1.00 0.00 H new ATOM 0 HG SER A 6 -10.465 11.689 -21.587 1.00 0.00 H new ATOM 59 N GLY A 7 -12.045 12.721 -18.041 1.00 0.00 N ATOM 60 CA GLY A 7 -11.426 12.491 -16.747 1.00 0.00 C ATOM 61 C GLY A 7 -12.485 12.290 -15.660 1.00 0.00 C ATOM 62 O GLY A 7 -12.558 11.224 -15.051 1.00 0.00 O ATOM 0 H GLY A 7 -11.905 13.657 -18.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.782 11.613 -16.799 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.790 13.338 -16.488 1.00 0.00 H new ATOM 66 N SER A 8 -13.278 13.330 -15.451 1.00 0.00 N ATOM 67 CA SER A 8 -14.329 13.280 -14.449 1.00 0.00 C ATOM 68 C SER A 8 -13.729 12.973 -13.076 1.00 0.00 C ATOM 69 O SER A 8 -13.692 11.818 -12.655 1.00 0.00 O ATOM 70 CB SER A 8 -15.387 12.236 -14.812 1.00 0.00 C ATOM 71 OG SER A 8 -16.422 12.164 -13.836 1.00 0.00 O ATOM 0 H SER A 8 -13.214 14.213 -15.958 1.00 0.00 H new ATOM 0 HA SER A 8 -14.816 14.255 -14.415 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.820 12.480 -15.782 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.914 11.259 -14.911 1.00 0.00 H new ATOM 0 HG SER A 8 -17.078 11.488 -14.105 1.00 0.00 H new ATOM 77 N SER A 9 -13.273 14.027 -12.415 1.00 0.00 N ATOM 78 CA SER A 9 -12.676 13.884 -11.098 1.00 0.00 C ATOM 79 C SER A 9 -13.761 13.949 -10.022 1.00 0.00 C ATOM 80 O SER A 9 -13.953 12.995 -9.270 1.00 0.00 O ATOM 81 CB SER A 9 -11.619 14.963 -10.853 1.00 0.00 C ATOM 82 OG SER A 9 -10.963 14.792 -9.599 1.00 0.00 O ATOM 0 H SER A 9 -13.305 14.984 -12.767 1.00 0.00 H new ATOM 0 HA SER A 9 -12.183 12.913 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.881 14.937 -11.655 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.090 15.946 -10.885 1.00 0.00 H new ATOM 0 HG SER A 9 -10.295 15.499 -9.480 1.00 0.00 H new ATOM 88 N PHE A 10 -14.444 15.084 -9.983 1.00 0.00 N ATOM 89 CA PHE A 10 -15.505 15.286 -9.011 1.00 0.00 C ATOM 90 C PHE A 10 -14.976 15.139 -7.583 1.00 0.00 C ATOM 91 O PHE A 10 -14.650 14.036 -7.148 1.00 0.00 O ATOM 92 CB PHE A 10 -16.557 14.205 -9.267 1.00 0.00 C ATOM 93 CG PHE A 10 -17.868 14.422 -8.508 1.00 0.00 C ATOM 94 CD1 PHE A 10 -18.489 15.630 -8.555 1.00 0.00 C ATOM 95 CD2 PHE A 10 -18.412 13.405 -7.787 1.00 0.00 C ATOM 96 CE1 PHE A 10 -19.706 15.831 -7.851 1.00 0.00 C ATOM 97 CE2 PHE A 10 -19.629 13.605 -7.083 1.00 0.00 C ATOM 98 CZ PHE A 10 -20.250 14.814 -7.130 1.00 0.00 C ATOM 0 H PHE A 10 -14.283 15.873 -10.609 1.00 0.00 H new ATOM 0 HA PHE A 10 -15.919 16.289 -9.114 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -16.770 14.165 -10.335 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.143 13.236 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.057 16.437 -9.128 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -17.918 12.445 -7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -20.199 16.791 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -20.061 12.797 -6.511 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.175 14.967 -6.595 1.00 0.00 H new ATOM 108 N GLN A 11 -14.907 16.268 -6.893 1.00 0.00 N ATOM 109 CA GLN A 11 -14.423 16.279 -5.523 1.00 0.00 C ATOM 110 C GLN A 11 -12.966 15.813 -5.470 1.00 0.00 C ATOM 111 O GLN A 11 -12.610 14.809 -6.084 1.00 0.00 O ATOM 112 CB GLN A 11 -15.308 15.415 -4.622 1.00 0.00 C ATOM 113 CG GLN A 11 -16.567 16.174 -4.200 1.00 0.00 C ATOM 114 CD GLN A 11 -17.727 15.210 -3.941 1.00 0.00 C ATOM 115 OE1 GLN A 11 -17.759 14.091 -4.428 1.00 0.00 O ATOM 116 NE2 GLN A 11 -18.675 15.704 -3.149 1.00 0.00 N ATOM 0 H GLN A 11 -15.178 17.181 -7.257 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.470 17.302 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.588 14.503 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.747 15.113 -3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.362 16.753 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.846 16.884 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.586 16.649 -2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.491 15.138 -2.916 1.00 0.00 H new ATOM 125 N GLY A 12 -12.164 16.565 -4.732 1.00 0.00 N ATOM 126 CA GLY A 12 -10.755 16.242 -4.591 1.00 0.00 C ATOM 127 C GLY A 12 -10.398 15.966 -3.129 1.00 0.00 C ATOM 128 O GLY A 12 -10.584 16.825 -2.268 1.00 0.00 O ATOM 0 H GLY A 12 -12.463 17.398 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.516 15.369 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.150 17.067 -4.967 1.00 0.00 H new ATOM 132 N PRO A 13 -9.879 14.733 -2.887 1.00 0.00 N ATOM 133 CA PRO A 13 -9.495 14.333 -1.544 1.00 0.00 C ATOM 134 C PRO A 13 -8.186 15.004 -1.125 1.00 0.00 C ATOM 135 O PRO A 13 -7.210 14.991 -1.874 1.00 0.00 O ATOM 136 CB PRO A 13 -9.395 12.817 -1.598 1.00 0.00 C ATOM 137 CG PRO A 13 -9.271 12.460 -3.071 1.00 0.00 C ATOM 138 CD PRO A 13 -9.645 13.690 -3.882 1.00 0.00 C ATOM 0 HA PRO A 13 -10.218 14.644 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.531 12.462 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.276 12.351 -1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.254 12.145 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.928 11.626 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.846 13.970 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.535 13.511 -4.485 1.00 0.00 H new ATOM 146 N LEU A 14 -8.206 15.575 0.070 1.00 0.00 N ATOM 147 CA LEU A 14 -7.033 16.250 0.597 1.00 0.00 C ATOM 148 C LEU A 14 -6.181 15.248 1.379 1.00 0.00 C ATOM 149 O LEU A 14 -4.966 15.184 1.195 1.00 0.00 O ATOM 150 CB LEU A 14 -7.442 17.477 1.414 1.00 0.00 C ATOM 151 CG LEU A 14 -7.247 18.833 0.732 1.00 0.00 C ATOM 152 CD1 LEU A 14 -8.588 19.539 0.521 1.00 0.00 C ATOM 153 CD2 LEU A 14 -6.258 19.702 1.511 1.00 0.00 C ATOM 0 H LEU A 14 -9.017 15.584 0.689 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.415 16.629 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.493 17.376 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.874 17.475 2.344 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.816 18.660 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.421 20.500 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.230 18.921 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.070 19.699 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.138 20.660 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.637 19.870 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.294 19.197 1.565 1.00 0.00 H new ATOM 165 N ASP A 15 -6.851 14.490 2.234 1.00 0.00 N ATOM 166 CA ASP A 15 -6.171 13.494 3.044 1.00 0.00 C ATOM 167 C ASP A 15 -5.148 12.754 2.181 1.00 0.00 C ATOM 168 O ASP A 15 -3.949 12.808 2.449 1.00 0.00 O ATOM 169 CB ASP A 15 -7.159 12.464 3.595 1.00 0.00 C ATOM 170 CG ASP A 15 -8.092 12.983 4.690 1.00 0.00 C ATOM 171 OD1 ASP A 15 -7.648 13.886 5.432 1.00 0.00 O ATOM 172 OD2 ASP A 15 -9.228 12.466 4.761 1.00 0.00 O ATOM 0 H ASP A 15 -7.858 14.546 2.384 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.686 14.008 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.765 12.087 2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.596 11.618 3.989 1.00 0.00 H new ATOM 177 N ALA A 16 -5.659 12.078 1.162 1.00 0.00 N ATOM 178 CA ALA A 16 -4.804 11.327 0.258 1.00 0.00 C ATOM 179 C ALA A 16 -4.258 10.096 0.984 1.00 0.00 C ATOM 180 O ALA A 16 -3.058 9.828 0.942 1.00 0.00 O ATOM 181 CB ALA A 16 -3.691 12.237 -0.266 1.00 0.00 C ATOM 0 H ALA A 16 -6.654 12.035 0.942 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.371 10.976 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.050 11.674 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.131 13.080 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.099 12.606 0.571 1.00 0.00 H new ATOM 187 N THR A 17 -5.165 9.380 1.633 1.00 0.00 N ATOM 188 CA THR A 17 -4.788 8.184 2.367 1.00 0.00 C ATOM 189 C THR A 17 -5.340 6.937 1.673 1.00 0.00 C ATOM 190 O THR A 17 -6.457 6.952 1.157 1.00 0.00 O ATOM 191 CB THR A 17 -5.274 8.342 3.809 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.521 9.443 4.311 1.00 0.00 O ATOM 193 CG2 THR A 17 -4.858 7.169 4.699 1.00 0.00 C ATOM 0 H THR A 17 -6.159 9.605 1.666 1.00 0.00 H new ATOM 0 HA THR A 17 -3.706 8.055 2.386 1.00 0.00 H new ATOM 0 HB THR A 17 -6.360 8.437 3.817 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.775 9.616 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.228 7.331 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.278 6.245 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.771 7.094 4.718 1.00 0.00 H new ATOM 201 N VAL A 18 -4.533 5.887 1.683 1.00 0.00 N ATOM 202 CA VAL A 18 -4.926 4.634 1.061 1.00 0.00 C ATOM 203 C VAL A 18 -4.581 3.474 1.998 1.00 0.00 C ATOM 204 O VAL A 18 -3.562 3.509 2.686 1.00 0.00 O ATOM 205 CB VAL A 18 -4.271 4.505 -0.316 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.778 5.591 -1.267 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.746 4.543 -0.203 1.00 0.00 C ATOM 0 H VAL A 18 -3.608 5.878 2.112 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.003 4.611 0.897 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.552 3.537 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.297 5.477 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.858 5.498 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.541 6.573 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.305 4.449 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.438 5.488 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.407 3.718 0.424 1.00 0.00 H new ATOM 217 N VAL A 19 -5.451 2.475 1.994 1.00 0.00 N ATOM 218 CA VAL A 19 -5.251 1.307 2.835 1.00 0.00 C ATOM 219 C VAL A 19 -4.633 0.183 2.001 1.00 0.00 C ATOM 220 O VAL A 19 -5.059 -0.066 0.875 1.00 0.00 O ATOM 221 CB VAL A 19 -6.572 0.905 3.495 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.651 0.639 2.443 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.383 -0.311 4.405 1.00 0.00 C ATOM 0 H VAL A 19 -6.295 2.450 1.422 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.555 1.533 3.643 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.904 1.738 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.580 0.355 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.815 1.541 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.328 -0.169 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.337 -0.576 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.016 -1.152 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.661 -0.072 5.186 1.00 0.00 H new ATOM 233 N VAL A 20 -3.638 -0.467 2.587 1.00 0.00 N ATOM 234 CA VAL A 20 -2.957 -1.559 1.912 1.00 0.00 C ATOM 235 C VAL A 20 -3.347 -2.883 2.572 1.00 0.00 C ATOM 236 O VAL A 20 -3.501 -2.952 3.790 1.00 0.00 O ATOM 237 CB VAL A 20 -1.447 -1.313 1.912 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.694 -2.523 1.354 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.098 -0.043 1.132 1.00 0.00 C ATOM 0 H VAL A 20 -3.287 -0.258 3.522 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.264 -1.614 0.868 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.131 -1.169 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.377 -2.322 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.905 -3.398 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.017 -2.712 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.019 0.109 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.435 -0.145 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.591 0.813 1.592 1.00 0.00 H new ATOM 249 N ASN A 21 -3.495 -3.902 1.738 1.00 0.00 N ATOM 250 CA ASN A 21 -3.864 -5.220 2.225 1.00 0.00 C ATOM 251 C ASN A 21 -3.300 -6.284 1.281 1.00 0.00 C ATOM 252 O ASN A 21 -3.143 -6.038 0.086 1.00 0.00 O ATOM 253 CB ASN A 21 -5.384 -5.385 2.270 1.00 0.00 C ATOM 254 CG ASN A 21 -6.009 -4.436 3.294 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.601 -4.364 4.442 1.00 0.00 O ATOM 256 ND2 ASN A 21 -7.018 -3.713 2.817 1.00 0.00 N ATOM 0 H ASN A 21 -3.366 -3.841 0.728 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.459 -5.333 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.804 -5.189 1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.634 -6.415 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.501 -3.049 3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.309 -3.822 1.846 1.00 0.00 H new ATOM 263 N LEU A 22 -3.011 -7.444 1.853 1.00 0.00 N ATOM 264 CA LEU A 22 -2.468 -8.546 1.077 1.00 0.00 C ATOM 265 C LEU A 22 -3.613 -9.446 0.608 1.00 0.00 C ATOM 266 O LEU A 22 -4.642 -9.547 1.275 1.00 0.00 O ATOM 267 CB LEU A 22 -1.393 -9.285 1.876 1.00 0.00 C ATOM 268 CG LEU A 22 -0.195 -8.446 2.323 1.00 0.00 C ATOM 269 CD1 LEU A 22 1.031 -9.327 2.570 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.096 -7.327 1.321 1.00 0.00 C ATOM 0 H LEU A 22 -3.143 -7.644 2.844 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.968 -8.173 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.859 -9.717 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.025 -10.115 1.272 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.446 -7.971 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.868 -8.705 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.805 -10.055 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.295 -9.850 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.952 -6.746 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.318 -7.760 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.775 -6.676 1.239 1.00 0.00 H new ATOM 282 N GLN A 23 -3.396 -10.077 -0.537 1.00 0.00 N ATOM 283 CA GLN A 23 -4.397 -10.966 -1.103 1.00 0.00 C ATOM 284 C GLN A 23 -4.210 -12.386 -0.567 1.00 0.00 C ATOM 285 O GLN A 23 -5.184 -13.105 -0.349 1.00 0.00 O ATOM 286 CB GLN A 23 -4.346 -10.945 -2.632 1.00 0.00 C ATOM 287 CG GLN A 23 -4.849 -9.608 -3.179 1.00 0.00 C ATOM 288 CD GLN A 23 -5.513 -9.790 -4.546 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.687 -10.892 -5.038 1.00 0.00 O ATOM 290 NE2 GLN A 23 -5.873 -8.650 -5.128 1.00 0.00 N ATOM 0 H GLN A 23 -2.542 -9.990 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.382 -10.612 -0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.323 -11.118 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.954 -11.757 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.561 -9.170 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.016 -8.910 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.697 -7.761 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.325 -8.665 -6.042 1.00 0.00 H new ATOM 299 N SER A 24 -2.951 -12.749 -0.370 1.00 0.00 N ATOM 300 CA SER A 24 -2.624 -14.071 0.137 1.00 0.00 C ATOM 301 C SER A 24 -1.557 -13.964 1.229 1.00 0.00 C ATOM 302 O SER A 24 -0.447 -14.469 1.069 1.00 0.00 O ATOM 303 CB SER A 24 -2.141 -14.988 -0.989 1.00 0.00 C ATOM 304 OG SER A 24 -2.793 -16.255 -0.962 1.00 0.00 O ATOM 0 H SER A 24 -2.145 -12.151 -0.552 1.00 0.00 H new ATOM 0 HA SER A 24 -3.528 -14.507 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.322 -14.508 -1.951 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.064 -15.132 -0.902 1.00 0.00 H new ATOM 0 HG SER A 24 -2.459 -16.811 -1.697 1.00 0.00 H new ATOM 310 N PRO A 25 -1.941 -13.285 2.343 1.00 0.00 N ATOM 311 CA PRO A 25 -1.031 -13.105 3.461 1.00 0.00 C ATOM 312 C PRO A 25 -0.881 -14.401 4.260 1.00 0.00 C ATOM 313 O PRO A 25 -1.626 -15.356 4.046 1.00 0.00 O ATOM 314 CB PRO A 25 -1.628 -11.970 4.276 1.00 0.00 C ATOM 315 CG PRO A 25 -3.083 -11.869 3.846 1.00 0.00 C ATOM 316 CD PRO A 25 -3.248 -12.673 2.567 1.00 0.00 C ATOM 0 HA PRO A 25 -0.018 -12.859 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.550 -12.173 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.100 -11.035 4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.739 -12.254 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.361 -10.828 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.026 -13.429 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.535 -12.034 1.732 1.00 0.00 H new ATOM 324 N THR A 26 0.088 -14.393 5.164 1.00 0.00 N ATOM 325 CA THR A 26 0.345 -15.556 5.996 1.00 0.00 C ATOM 326 C THR A 26 0.030 -15.244 7.460 1.00 0.00 C ATOM 327 O THR A 26 -0.692 -14.293 7.755 1.00 0.00 O ATOM 328 CB THR A 26 1.793 -15.991 5.766 1.00 0.00 C ATOM 329 OG1 THR A 26 2.044 -15.658 4.403 1.00 0.00 O ATOM 330 CG2 THR A 26 1.963 -17.511 5.814 1.00 0.00 C ATOM 0 H THR A 26 0.705 -13.599 5.338 1.00 0.00 H new ATOM 0 HA THR A 26 -0.306 -16.387 5.726 1.00 0.00 H new ATOM 0 HB THR A 26 2.433 -15.530 6.518 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.963 -15.905 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.009 -17.766 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.653 -17.881 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.348 -17.971 5.040 1.00 0.00 H new ATOM 338 N LEU A 27 0.587 -16.064 8.340 1.00 0.00 N ATOM 339 CA LEU A 27 0.374 -15.887 9.766 1.00 0.00 C ATOM 340 C LEU A 27 0.977 -14.552 10.206 1.00 0.00 C ATOM 341 O LEU A 27 0.282 -13.709 10.772 1.00 0.00 O ATOM 342 CB LEU A 27 0.915 -17.091 10.541 1.00 0.00 C ATOM 343 CG LEU A 27 0.007 -18.322 10.587 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.461 -19.375 9.574 1.00 0.00 C ATOM 345 CD2 LEU A 27 -0.076 -18.890 12.005 1.00 0.00 C ATOM 0 H LEU A 27 1.185 -16.852 8.093 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.692 -15.845 9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.868 -17.383 10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.120 -16.777 11.564 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.000 -18.015 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.201 -20.240 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.427 -18.952 8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.481 -19.684 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.727 -19.764 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.920 -19.178 12.340 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.480 -18.133 12.677 1.00 0.00 H new ATOM 357 N GLU A 28 2.264 -14.400 9.929 1.00 0.00 N ATOM 358 CA GLU A 28 2.968 -13.181 10.289 1.00 0.00 C ATOM 359 C GLU A 28 2.088 -11.959 10.015 1.00 0.00 C ATOM 360 O GLU A 28 1.784 -11.192 10.927 1.00 0.00 O ATOM 361 CB GLU A 28 4.299 -13.076 9.543 1.00 0.00 C ATOM 362 CG GLU A 28 4.114 -13.352 8.049 1.00 0.00 C ATOM 363 CD GLU A 28 5.383 -13.955 7.442 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.288 -13.158 7.113 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.418 -15.198 7.320 1.00 0.00 O ATOM 0 H GLU A 28 2.837 -15.101 9.459 1.00 0.00 H new ATOM 0 HA GLU A 28 3.189 -13.214 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.721 -12.081 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.012 -13.786 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.277 -14.034 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.864 -12.425 7.532 1.00 0.00 H new ATOM 372 N GLU A 29 1.705 -11.816 8.755 1.00 0.00 N ATOM 373 CA GLU A 29 0.866 -10.701 8.349 1.00 0.00 C ATOM 374 C GLU A 29 -0.436 -10.697 9.153 1.00 0.00 C ATOM 375 O GLU A 29 -0.879 -9.648 9.618 1.00 0.00 O ATOM 376 CB GLU A 29 0.583 -10.746 6.847 1.00 0.00 C ATOM 377 CG GLU A 29 0.388 -9.337 6.283 1.00 0.00 C ATOM 378 CD GLU A 29 -1.098 -9.016 6.109 1.00 0.00 C ATOM 379 OE1 GLU A 29 -1.871 -9.983 5.938 1.00 0.00 O ATOM 380 OE2 GLU A 29 -1.427 -7.811 6.150 1.00 0.00 O ATOM 0 H GLU A 29 1.960 -12.454 8.001 1.00 0.00 H new ATOM 0 HA GLU A 29 1.401 -9.774 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.409 -11.236 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.309 -11.343 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.845 -8.608 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.897 -9.252 5.323 1.00 0.00 H new ATOM 387 N LYS A 30 -1.013 -11.882 9.291 1.00 0.00 N ATOM 388 CA LYS A 30 -2.255 -12.027 10.030 1.00 0.00 C ATOM 389 C LYS A 30 -2.098 -11.396 11.414 1.00 0.00 C ATOM 390 O LYS A 30 -3.069 -10.915 11.996 1.00 0.00 O ATOM 391 CB LYS A 30 -2.686 -13.495 10.069 1.00 0.00 C ATOM 392 CG LYS A 30 -3.408 -13.889 8.779 1.00 0.00 C ATOM 393 CD LYS A 30 -4.798 -14.454 9.079 1.00 0.00 C ATOM 394 CE LYS A 30 -5.051 -15.737 8.285 1.00 0.00 C ATOM 395 NZ LYS A 30 -6.027 -16.599 8.990 1.00 0.00 N ATOM 0 H LYS A 30 -0.643 -12.750 8.904 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.062 -11.494 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.812 -14.131 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.342 -13.662 10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.498 -13.019 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.819 -14.631 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.889 -14.658 10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.557 -13.713 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.426 -15.489 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.114 -16.276 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.187 -17.465 8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.654 -16.850 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.926 -16.087 9.100 1.00 0.00 H new ATOM 409 N ASN A 31 -0.866 -11.417 11.903 1.00 0.00 N ATOM 410 CA ASN A 31 -0.568 -10.853 13.208 1.00 0.00 C ATOM 411 C ASN A 31 -0.376 -9.341 13.073 1.00 0.00 C ATOM 412 O ASN A 31 -0.890 -8.572 13.884 1.00 0.00 O ATOM 413 CB ASN A 31 0.720 -11.444 13.783 1.00 0.00 C ATOM 414 CG ASN A 31 0.595 -11.671 15.291 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.488 -11.699 15.852 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.759 -11.830 15.913 1.00 0.00 N ATOM 0 H ASN A 31 -0.063 -11.816 11.418 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.399 -11.086 13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.944 -12.388 13.287 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.554 -10.772 13.581 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.782 -11.987 16.921 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.630 -11.795 15.383 1.00 0.00 H new ATOM 423 N GLU A 32 0.365 -8.960 12.043 1.00 0.00 N ATOM 424 CA GLU A 32 0.631 -7.554 11.792 1.00 0.00 C ATOM 425 C GLU A 32 1.552 -7.397 10.580 1.00 0.00 C ATOM 426 O GLU A 32 2.516 -8.145 10.426 1.00 0.00 O ATOM 427 CB GLU A 32 1.231 -6.880 13.027 1.00 0.00 C ATOM 428 CG GLU A 32 2.423 -7.677 13.562 1.00 0.00 C ATOM 429 CD GLU A 32 3.252 -6.836 14.535 1.00 0.00 C ATOM 430 OE1 GLU A 32 3.951 -5.924 14.043 1.00 0.00 O ATOM 431 OE2 GLU A 32 3.169 -7.125 15.748 1.00 0.00 O ATOM 0 H GLU A 32 0.790 -9.601 11.372 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.315 -7.059 11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.549 -5.868 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.471 -6.791 13.803 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.068 -8.576 14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.050 -8.002 12.732 1.00 0.00 H new ATOM 438 N PHE A 33 1.222 -6.418 9.749 1.00 0.00 N ATOM 439 CA PHE A 33 2.007 -6.153 8.556 1.00 0.00 C ATOM 440 C PHE A 33 3.505 -6.243 8.854 1.00 0.00 C ATOM 441 O PHE A 33 3.993 -5.618 9.794 1.00 0.00 O ATOM 442 CB PHE A 33 1.672 -4.729 8.108 1.00 0.00 C ATOM 443 CG PHE A 33 1.799 -4.506 6.599 1.00 0.00 C ATOM 444 CD1 PHE A 33 2.976 -4.765 5.969 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.733 -4.048 5.888 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.093 -4.557 4.570 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.850 -3.841 4.488 1.00 0.00 C ATOM 448 CZ PHE A 33 2.027 -4.100 3.859 1.00 0.00 C ATOM 0 H PHE A 33 0.422 -5.799 9.879 1.00 0.00 H new ATOM 0 HA PHE A 33 1.773 -6.888 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.653 -4.492 8.416 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.331 -4.032 8.625 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.822 -5.129 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.202 -3.842 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.028 -4.761 4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.004 -3.478 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.116 -3.943 2.794 1.00 0.00 H new ATOM 458 N PRO A 34 4.211 -7.046 8.013 1.00 0.00 N ATOM 459 CA PRO A 34 5.644 -7.225 8.177 1.00 0.00 C ATOM 460 C PRO A 34 6.409 -5.990 7.697 1.00 0.00 C ATOM 461 O PRO A 34 6.091 -5.425 6.652 1.00 0.00 O ATOM 462 CB PRO A 34 5.977 -8.477 7.382 1.00 0.00 C ATOM 463 CG PRO A 34 4.812 -8.687 6.428 1.00 0.00 C ATOM 464 CD PRO A 34 3.667 -7.801 6.889 1.00 0.00 C ATOM 0 HA PRO A 34 5.937 -7.342 9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.912 -8.355 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.102 -9.336 8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.103 -8.435 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.507 -9.733 6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.334 -7.138 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.804 -8.395 7.191 1.00 0.00 H new ATOM 472 N GLU A 35 7.405 -5.608 8.484 1.00 0.00 N ATOM 473 CA GLU A 35 8.219 -4.451 8.152 1.00 0.00 C ATOM 474 C GLU A 35 9.050 -4.728 6.898 1.00 0.00 C ATOM 475 O GLU A 35 9.417 -3.803 6.175 1.00 0.00 O ATOM 476 CB GLU A 35 9.115 -4.056 9.327 1.00 0.00 C ATOM 477 CG GLU A 35 10.231 -5.081 9.534 1.00 0.00 C ATOM 478 CD GLU A 35 10.476 -5.332 11.024 1.00 0.00 C ATOM 479 OE1 GLU A 35 10.906 -4.372 11.698 1.00 0.00 O ATOM 480 OE2 GLU A 35 10.226 -6.479 11.454 1.00 0.00 O ATOM 0 H GLU A 35 7.666 -6.079 9.350 1.00 0.00 H new ATOM 0 HA GLU A 35 7.555 -3.612 7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.549 -3.073 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.517 -3.976 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.966 -6.017 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.149 -4.724 9.066 1.00 0.00 H new ATOM 487 N ASP A 36 9.321 -6.006 6.677 1.00 0.00 N ATOM 488 CA ASP A 36 10.102 -6.417 5.523 1.00 0.00 C ATOM 489 C ASP A 36 9.345 -6.053 4.245 1.00 0.00 C ATOM 490 O ASP A 36 9.955 -5.822 3.202 1.00 0.00 O ATOM 491 CB ASP A 36 10.331 -7.930 5.523 1.00 0.00 C ATOM 492 CG ASP A 36 11.797 -8.362 5.461 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.616 -7.529 5.015 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.066 -9.515 5.861 1.00 0.00 O ATOM 0 H ASP A 36 9.013 -6.771 7.278 1.00 0.00 H new ATOM 0 HA ASP A 36 11.064 -5.907 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.882 -8.350 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.804 -8.362 4.672 1.00 0.00 H new ATOM 499 N LEU A 37 8.026 -6.014 4.367 1.00 0.00 N ATOM 500 CA LEU A 37 7.179 -5.682 3.234 1.00 0.00 C ATOM 501 C LEU A 37 6.962 -4.168 3.191 1.00 0.00 C ATOM 502 O LEU A 37 7.134 -3.542 2.146 1.00 0.00 O ATOM 503 CB LEU A 37 5.879 -6.488 3.283 1.00 0.00 C ATOM 504 CG LEU A 37 6.014 -7.993 3.041 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.642 -8.640 2.837 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.962 -8.278 1.874 1.00 0.00 C ATOM 0 H LEU A 37 7.523 -6.207 5.233 1.00 0.00 H new ATOM 0 HA LEU A 37 7.666 -5.961 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.418 -6.337 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.194 -6.080 2.540 1.00 0.00 H new ATOM 0 HG LEU A 37 6.454 -8.444 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.766 -9.710 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.030 -8.482 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.152 -8.190 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.040 -9.355 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.574 -7.812 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.948 -7.871 2.098 1.00 0.00 H new ATOM 518 N ARG A 38 6.588 -3.623 4.339 1.00 0.00 N ATOM 519 CA ARG A 38 6.346 -2.194 4.446 1.00 0.00 C ATOM 520 C ARG A 38 7.408 -1.416 3.665 1.00 0.00 C ATOM 521 O ARG A 38 7.085 -0.694 2.723 1.00 0.00 O ATOM 522 CB ARG A 38 6.363 -1.740 5.907 1.00 0.00 C ATOM 523 CG ARG A 38 4.953 -1.752 6.501 1.00 0.00 C ATOM 524 CD ARG A 38 4.895 -2.626 7.755 1.00 0.00 C ATOM 525 NE ARG A 38 5.346 -1.853 8.933 1.00 0.00 N ATOM 526 CZ ARG A 38 5.759 -2.405 10.082 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.780 -3.739 10.214 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.151 -1.625 11.098 1.00 0.00 N ATOM 0 H ARG A 38 6.447 -4.145 5.204 1.00 0.00 H new ATOM 0 HA ARG A 38 5.360 -1.992 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.012 -2.396 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.782 -0.736 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.650 -0.735 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.245 -2.125 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.877 -2.983 7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.525 -3.506 7.624 1.00 0.00 H new ATOM 0 HE ARG A 38 5.342 -0.835 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.482 -4.333 9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.094 -4.160 11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.135 -0.610 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.465 -2.046 11.972 1.00 0.00 H new ATOM 542 N THR A 39 8.652 -1.591 4.086 1.00 0.00 N ATOM 543 CA THR A 39 9.763 -0.914 3.437 1.00 0.00 C ATOM 544 C THR A 39 9.621 -0.994 1.916 1.00 0.00 C ATOM 545 O THR A 39 9.913 -0.030 1.210 1.00 0.00 O ATOM 546 CB THR A 39 11.062 -1.531 3.960 1.00 0.00 C ATOM 547 OG1 THR A 39 11.182 -1.016 5.284 1.00 0.00 O ATOM 548 CG2 THR A 39 12.298 -0.992 3.237 1.00 0.00 C ATOM 0 H THR A 39 8.915 -2.191 4.868 1.00 0.00 H new ATOM 0 HA THR A 39 9.772 0.150 3.675 1.00 0.00 H new ATOM 0 HB THR A 39 11.020 -2.615 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.998 -1.367 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.192 -1.462 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.224 -1.217 2.173 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.359 0.087 3.376 1.00 0.00 H new ATOM 556 N GLU A 40 9.174 -2.153 1.456 1.00 0.00 N ATOM 557 CA GLU A 40 8.990 -2.371 0.031 1.00 0.00 C ATOM 558 C GLU A 40 7.751 -1.623 -0.466 1.00 0.00 C ATOM 559 O GLU A 40 7.716 -1.162 -1.605 1.00 0.00 O ATOM 560 CB GLU A 40 8.892 -3.865 -0.287 1.00 0.00 C ATOM 561 CG GLU A 40 10.129 -4.346 -1.048 1.00 0.00 C ATOM 562 CD GLU A 40 11.380 -4.263 -0.170 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.366 -4.910 0.899 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.321 -3.555 -0.588 1.00 0.00 O ATOM 0 H GLU A 40 8.934 -2.951 2.044 1.00 0.00 H new ATOM 0 HA GLU A 40 9.862 -1.977 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.787 -4.431 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.998 -4.056 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.980 -5.374 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.268 -3.740 -1.943 1.00 0.00 H new ATOM 571 N LEU A 41 6.766 -1.526 0.415 1.00 0.00 N ATOM 572 CA LEU A 41 5.528 -0.841 0.080 1.00 0.00 C ATOM 573 C LEU A 41 5.764 0.670 0.105 1.00 0.00 C ATOM 574 O LEU A 41 5.586 1.347 -0.906 1.00 0.00 O ATOM 575 CB LEU A 41 4.395 -1.303 0.999 1.00 0.00 C ATOM 576 CG LEU A 41 3.548 -2.469 0.486 1.00 0.00 C ATOM 577 CD1 LEU A 41 2.266 -1.964 -0.180 1.00 0.00 C ATOM 578 CD2 LEU A 41 4.362 -3.369 -0.447 1.00 0.00 C ATOM 0 H LEU A 41 6.800 -1.910 1.359 1.00 0.00 H new ATOM 0 HA LEU A 41 5.211 -1.097 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.826 -1.588 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.736 -0.455 1.184 1.00 0.00 H new ATOM 0 HG LEU A 41 3.250 -3.076 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.682 -2.813 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.679 -1.398 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.522 -1.321 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.737 -4.190 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.710 -2.788 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.220 -3.771 0.092 1.00 0.00 H new ATOM 590 N MET A 42 6.160 1.156 1.273 1.00 0.00 N ATOM 591 CA MET A 42 6.422 2.575 1.443 1.00 0.00 C ATOM 592 C MET A 42 7.245 3.124 0.277 1.00 0.00 C ATOM 593 O MET A 42 6.798 4.022 -0.435 1.00 0.00 O ATOM 594 CB MET A 42 7.178 2.801 2.754 1.00 0.00 C ATOM 595 CG MET A 42 6.448 2.146 3.928 1.00 0.00 C ATOM 596 SD MET A 42 4.700 2.490 3.829 1.00 0.00 S ATOM 597 CE MET A 42 4.050 0.833 3.965 1.00 0.00 C ATOM 0 H MET A 42 6.306 0.592 2.110 1.00 0.00 H new ATOM 0 HA MET A 42 5.468 3.101 1.468 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.185 2.391 2.673 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.283 3.870 2.938 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.616 1.069 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.848 2.521 4.870 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.962 0.863 3.903 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.443 0.220 3.154 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.347 0.403 4.921 1.00 0.00 H new ATOM 607 N GLN A 43 8.435 2.562 0.117 1.00 0.00 N ATOM 608 CA GLN A 43 9.325 2.985 -0.951 1.00 0.00 C ATOM 609 C GLN A 43 8.603 2.926 -2.298 1.00 0.00 C ATOM 610 O GLN A 43 8.592 3.904 -3.044 1.00 0.00 O ATOM 611 CB GLN A 43 10.597 2.135 -0.973 1.00 0.00 C ATOM 612 CG GLN A 43 11.359 2.255 0.348 1.00 0.00 C ATOM 613 CD GLN A 43 12.280 3.477 0.341 1.00 0.00 C ATOM 614 OE1 GLN A 43 13.413 3.430 -0.111 1.00 0.00 O ATOM 615 NE2 GLN A 43 11.734 4.570 0.866 1.00 0.00 N ATOM 0 H GLN A 43 8.803 1.818 0.709 1.00 0.00 H new ATOM 0 HA GLN A 43 9.620 4.017 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.338 1.092 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.237 2.453 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.652 2.333 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.947 1.353 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.780 4.541 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.269 5.438 0.908 1.00 0.00 H new ATOM 624 N THR A 44 8.017 1.769 -2.570 1.00 0.00 N ATOM 625 CA THR A 44 7.294 1.569 -3.814 1.00 0.00 C ATOM 626 C THR A 44 6.145 2.573 -3.930 1.00 0.00 C ATOM 627 O THR A 44 6.208 3.504 -4.731 1.00 0.00 O ATOM 628 CB THR A 44 6.835 0.111 -3.866 1.00 0.00 C ATOM 629 OG1 THR A 44 8.036 -0.624 -4.088 1.00 0.00 O ATOM 630 CG2 THR A 44 5.980 -0.191 -5.099 1.00 0.00 C ATOM 0 H THR A 44 8.028 0.960 -1.949 1.00 0.00 H new ATOM 0 HA THR A 44 7.934 1.753 -4.677 1.00 0.00 H new ATOM 0 HB THR A 44 6.268 -0.123 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.260 -1.135 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.681 -1.239 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.091 0.440 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.558 0.011 -6.001 1.00 0.00 H new ATOM 638 N LEU A 45 5.122 2.348 -3.119 1.00 0.00 N ATOM 639 CA LEU A 45 3.961 3.221 -3.121 1.00 0.00 C ATOM 640 C LEU A 45 4.424 4.679 -3.131 1.00 0.00 C ATOM 641 O LEU A 45 3.911 5.492 -3.899 1.00 0.00 O ATOM 642 CB LEU A 45 3.032 2.879 -1.954 1.00 0.00 C ATOM 643 CG LEU A 45 2.542 1.431 -1.889 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.829 1.153 -0.564 1.00 0.00 C ATOM 645 CD2 LEU A 45 1.663 1.094 -3.095 1.00 0.00 C ATOM 0 H LEU A 45 5.073 1.574 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 45 3.371 3.068 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.551 3.108 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.162 3.534 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 45 3.411 0.774 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.491 0.117 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.517 1.326 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.970 1.817 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.328 0.059 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.797 1.755 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.237 1.227 -4.012 1.00 0.00 H new ATOM 657 N GLY A 46 5.388 4.967 -2.269 1.00 0.00 N ATOM 658 CA GLY A 46 5.926 6.313 -2.170 1.00 0.00 C ATOM 659 C GLY A 46 6.546 6.755 -3.497 1.00 0.00 C ATOM 660 O GLY A 46 6.306 7.871 -3.956 1.00 0.00 O ATOM 0 H GLY A 46 5.810 4.291 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.133 7.005 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.679 6.351 -1.383 1.00 0.00 H new ATOM 664 N SER A 47 7.331 5.858 -4.075 1.00 0.00 N ATOM 665 CA SER A 47 7.987 6.142 -5.340 1.00 0.00 C ATOM 666 C SER A 47 7.024 6.876 -6.275 1.00 0.00 C ATOM 667 O SER A 47 7.325 7.971 -6.747 1.00 0.00 O ATOM 668 CB SER A 47 8.492 4.857 -5.999 1.00 0.00 C ATOM 669 OG SER A 47 9.521 5.114 -6.951 1.00 0.00 O ATOM 0 H SER A 47 7.528 4.934 -3.691 1.00 0.00 H new ATOM 0 HA SER A 47 8.849 6.780 -5.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.868 4.180 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.661 4.351 -6.491 1.00 0.00 H new ATOM 0 HG SER A 47 9.818 4.269 -7.348 1.00 0.00 H new ATOM 675 N TYR A 48 5.886 6.242 -6.516 1.00 0.00 N ATOM 676 CA TYR A 48 4.877 6.821 -7.387 1.00 0.00 C ATOM 677 C TYR A 48 4.685 8.310 -7.089 1.00 0.00 C ATOM 678 O TYR A 48 4.638 9.129 -8.006 1.00 0.00 O ATOM 679 CB TYR A 48 3.576 6.079 -7.077 1.00 0.00 C ATOM 680 CG TYR A 48 3.467 4.707 -7.747 1.00 0.00 C ATOM 681 CD1 TYR A 48 4.014 3.597 -7.138 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.822 4.582 -8.961 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.912 2.306 -7.769 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.720 3.291 -9.592 1.00 0.00 C ATOM 685 CZ TYR A 48 3.270 2.217 -8.965 1.00 0.00 C ATOM 686 OH TYR A 48 3.173 0.998 -9.560 1.00 0.00 O ATOM 0 H TYR A 48 5.640 5.333 -6.123 1.00 0.00 H new ATOM 0 HA TYR A 48 5.172 6.727 -8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.490 5.953 -5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.734 6.695 -7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.519 3.696 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.394 5.452 -9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.336 1.429 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.218 3.179 -10.542 1.00 0.00 H new ATOM 0 HH TYR A 48 3.150 0.300 -8.873 1.00 0.00 H new ATOM 696 N GLY A 49 4.578 8.614 -5.804 1.00 0.00 N ATOM 697 CA GLY A 49 4.391 9.989 -5.374 1.00 0.00 C ATOM 698 C GLY A 49 5.339 10.338 -4.225 1.00 0.00 C ATOM 699 O GLY A 49 6.557 10.243 -4.369 1.00 0.00 O ATOM 0 H GLY A 49 4.617 7.932 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.567 10.663 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.359 10.137 -5.056 1.00 0.00 H new ATOM 703 N THR A 50 4.744 10.734 -3.109 1.00 0.00 N ATOM 704 CA THR A 50 5.520 11.097 -1.935 1.00 0.00 C ATOM 705 C THR A 50 4.793 10.663 -0.661 1.00 0.00 C ATOM 706 O THR A 50 3.564 10.649 -0.616 1.00 0.00 O ATOM 707 CB THR A 50 5.794 12.601 -1.997 1.00 0.00 C ATOM 708 OG1 THR A 50 7.125 12.691 -2.498 1.00 0.00 O ATOM 709 CG2 THR A 50 5.875 13.238 -0.608 1.00 0.00 C ATOM 0 H THR A 50 3.734 10.811 -2.993 1.00 0.00 H new ATOM 0 HA THR A 50 6.478 10.578 -1.917 1.00 0.00 H new ATOM 0 HB THR A 50 5.010 13.090 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.251 12.031 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.071 14.306 -0.708 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.931 13.090 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.681 12.773 -0.041 1.00 0.00 H new ATOM 717 N ILE A 51 5.584 10.320 0.345 1.00 0.00 N ATOM 718 CA ILE A 51 5.032 9.887 1.618 1.00 0.00 C ATOM 719 C ILE A 51 4.963 11.081 2.571 1.00 0.00 C ATOM 720 O ILE A 51 5.984 11.521 3.097 1.00 0.00 O ATOM 721 CB ILE A 51 5.827 8.703 2.172 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.740 7.497 1.234 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.377 8.357 3.593 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.349 6.863 1.284 1.00 0.00 C ATOM 0 H ILE A 51 6.603 10.333 0.305 1.00 0.00 H new ATOM 0 HA ILE A 51 4.013 9.523 1.487 1.00 0.00 H new ATOM 0 HB ILE A 51 6.876 8.993 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.965 7.808 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.491 6.758 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.958 7.512 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.533 9.217 4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.319 8.095 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.314 6.008 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.137 6.531 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.603 7.597 0.979 1.00 0.00 H new ATOM 736 N VAL A 52 3.748 11.572 2.766 1.00 0.00 N ATOM 737 CA VAL A 52 3.531 12.707 3.647 1.00 0.00 C ATOM 738 C VAL A 52 3.337 12.206 5.080 1.00 0.00 C ATOM 739 O VAL A 52 3.570 12.943 6.036 1.00 0.00 O ATOM 740 CB VAL A 52 2.355 13.545 3.143 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.591 14.012 1.705 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.041 12.770 3.259 1.00 0.00 C ATOM 0 H VAL A 52 2.903 11.204 2.329 1.00 0.00 H new ATOM 0 HA VAL A 52 4.403 13.362 3.646 1.00 0.00 H new ATOM 0 HB VAL A 52 2.279 14.430 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.740 14.606 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.496 14.619 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.706 13.145 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.221 13.388 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.102 11.859 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.863 12.510 4.302 1.00 0.00 H new ATOM 752 N LEU A 53 2.913 10.955 5.182 1.00 0.00 N ATOM 753 CA LEU A 53 2.685 10.346 6.482 1.00 0.00 C ATOM 754 C LEU A 53 2.156 8.923 6.288 1.00 0.00 C ATOM 755 O LEU A 53 1.473 8.640 5.305 1.00 0.00 O ATOM 756 CB LEU A 53 1.774 11.230 7.335 1.00 0.00 C ATOM 757 CG LEU A 53 1.082 10.541 8.513 1.00 0.00 C ATOM 758 CD1 LEU A 53 0.049 9.524 8.023 1.00 0.00 C ATOM 759 CD2 LEU A 53 2.107 9.908 9.457 1.00 0.00 C ATOM 0 H LEU A 53 2.721 10.346 4.386 1.00 0.00 H new ATOM 0 HA LEU A 53 3.621 10.266 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.365 12.060 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.008 11.658 6.689 1.00 0.00 H new ATOM 0 HG LEU A 53 0.543 11.298 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.428 9.049 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.706 10.032 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.544 8.766 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.589 9.425 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.693 9.167 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.770 10.681 9.845 1.00 0.00 H new ATOM 771 N VAL A 54 2.492 8.066 7.241 1.00 0.00 N ATOM 772 CA VAL A 54 2.058 6.680 7.187 1.00 0.00 C ATOM 773 C VAL A 54 1.473 6.281 8.543 1.00 0.00 C ATOM 774 O VAL A 54 1.974 6.696 9.586 1.00 0.00 O ATOM 775 CB VAL A 54 3.220 5.785 6.751 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.710 4.917 7.911 1.00 0.00 C ATOM 777 CG2 VAL A 54 2.827 4.924 5.549 1.00 0.00 C ATOM 0 H VAL A 54 3.059 8.304 8.054 1.00 0.00 H new ATOM 0 HA VAL A 54 1.271 6.554 6.443 1.00 0.00 H new ATOM 0 HB VAL A 54 4.044 6.431 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.536 4.291 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.049 5.556 8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.895 4.284 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.670 4.297 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.980 4.292 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.550 5.569 4.715 1.00 0.00 H new ATOM 787 N ARG A 55 0.420 5.479 8.484 1.00 0.00 N ATOM 788 CA ARG A 55 -0.240 5.019 9.694 1.00 0.00 C ATOM 789 C ARG A 55 -0.700 3.569 9.529 1.00 0.00 C ATOM 790 O ARG A 55 -1.602 3.286 8.743 1.00 0.00 O ATOM 791 CB ARG A 55 -1.448 5.895 10.030 1.00 0.00 C ATOM 792 CG ARG A 55 -1.844 5.742 11.500 1.00 0.00 C ATOM 793 CD ARG A 55 -3.291 5.264 11.632 1.00 0.00 C ATOM 794 NE ARG A 55 -3.768 5.469 13.018 1.00 0.00 N ATOM 795 CZ ARG A 55 -5.037 5.290 13.410 1.00 0.00 C ATOM 796 NH1 ARG A 55 -5.963 4.901 12.523 1.00 0.00 N ATOM 797 NH2 ARG A 55 -5.379 5.499 14.688 1.00 0.00 N ATOM 0 H ARG A 55 0.007 5.136 7.617 1.00 0.00 H new ATOM 0 HA ARG A 55 0.480 5.085 10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.215 6.939 9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.289 5.621 9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.177 5.031 11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.724 6.696 12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.928 5.809 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.360 4.209 11.367 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.088 5.765 13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.702 4.741 11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.929 4.765 12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.674 5.794 15.363 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.345 5.363 14.986 1.00 0.00 H new ATOM 811 N ILE A 56 -0.058 2.688 10.283 1.00 0.00 N ATOM 812 CA ILE A 56 -0.390 1.275 10.231 1.00 0.00 C ATOM 813 C ILE A 56 -1.528 0.986 11.211 1.00 0.00 C ATOM 814 O ILE A 56 -1.540 1.507 12.325 1.00 0.00 O ATOM 815 CB ILE A 56 0.858 0.422 10.469 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.387 -0.156 9.154 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.587 -0.669 11.507 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.663 -0.966 9.386 1.00 0.00 C ATOM 0 H ILE A 56 0.691 2.926 10.933 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.748 1.005 9.238 1.00 0.00 H new ATOM 0 HB ILE A 56 1.639 1.065 10.875 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.626 -0.791 8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.588 0.653 8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.490 -1.261 11.657 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.293 -0.209 12.450 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.216 -1.316 11.154 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.018 -1.366 8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.429 -0.322 9.818 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.453 -1.789 10.070 1.00 0.00 H new ATOM 830 N ASN A 57 -2.458 0.157 10.761 1.00 0.00 N ATOM 831 CA ASN A 57 -3.598 -0.208 11.584 1.00 0.00 C ATOM 832 C ASN A 57 -3.348 -1.578 12.218 1.00 0.00 C ATOM 833 O ASN A 57 -2.626 -2.401 11.658 1.00 0.00 O ATOM 834 CB ASN A 57 -4.875 -0.301 10.747 1.00 0.00 C ATOM 835 CG ASN A 57 -5.973 0.599 11.318 1.00 0.00 C ATOM 836 OD1 ASN A 57 -7.009 0.145 11.775 1.00 0.00 O ATOM 837 ND2 ASN A 57 -5.689 1.897 11.267 1.00 0.00 N ATOM 0 H ASN A 57 -2.445 -0.273 9.836 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.722 0.561 12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.661 -0.012 9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.223 -1.334 10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.358 2.580 11.624 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.803 2.210 10.871 1.00 0.00 H new ATOM 844 N GLN A 58 -3.958 -1.779 13.376 1.00 0.00 N ATOM 845 CA GLN A 58 -3.810 -3.035 14.092 1.00 0.00 C ATOM 846 C GLN A 58 -3.571 -4.182 13.107 1.00 0.00 C ATOM 847 O GLN A 58 -2.730 -5.047 13.349 1.00 0.00 O ATOM 848 CB GLN A 58 -5.031 -3.312 14.971 1.00 0.00 C ATOM 849 CG GLN A 58 -4.673 -3.207 16.455 1.00 0.00 C ATOM 850 CD GLN A 58 -5.910 -2.884 17.296 1.00 0.00 C ATOM 851 OE1 GLN A 58 -7.000 -2.676 16.788 1.00 0.00 O ATOM 852 NE2 GLN A 58 -5.681 -2.853 18.605 1.00 0.00 N ATOM 0 H GLN A 58 -4.556 -1.093 13.837 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.942 -2.958 14.747 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.823 -2.602 14.733 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.420 -4.307 14.756 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.233 -4.145 16.794 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.920 -2.432 16.597 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.744 -3.037 18.963 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.442 -2.646 19.251 1.00 0.00 H new ATOM 861 N GLY A 59 -4.325 -4.151 12.019 1.00 0.00 N ATOM 862 CA GLY A 59 -4.206 -5.177 10.997 1.00 0.00 C ATOM 863 C GLY A 59 -4.387 -4.583 9.599 1.00 0.00 C ATOM 864 O GLY A 59 -5.110 -5.138 8.773 1.00 0.00 O ATOM 0 H GLY A 59 -5.021 -3.432 11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.229 -5.655 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.954 -5.952 11.166 1.00 0.00 H new ATOM 868 N GLN A 60 -3.718 -3.461 9.377 1.00 0.00 N ATOM 869 CA GLN A 60 -3.796 -2.785 8.093 1.00 0.00 C ATOM 870 C GLN A 60 -2.655 -1.774 7.955 1.00 0.00 C ATOM 871 O GLN A 60 -1.830 -1.638 8.857 1.00 0.00 O ATOM 872 CB GLN A 60 -5.155 -2.105 7.913 1.00 0.00 C ATOM 873 CG GLN A 60 -5.978 -2.805 6.829 1.00 0.00 C ATOM 874 CD GLN A 60 -7.400 -3.086 7.318 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.633 -3.435 8.463 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.335 -2.915 6.388 1.00 0.00 N ATOM 0 H GLN A 60 -3.120 -3.003 10.065 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.692 -3.531 7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.701 -2.120 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.010 -1.058 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.013 -2.183 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.495 -3.740 6.547 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.071 -2.621 5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.316 -3.078 6.615 1.00 0.00 H new ATOM 885 N MET A 61 -2.645 -1.093 6.819 1.00 0.00 N ATOM 886 CA MET A 61 -1.619 -0.099 6.552 1.00 0.00 C ATOM 887 C MET A 61 -2.181 1.063 5.731 1.00 0.00 C ATOM 888 O MET A 61 -2.401 0.928 4.528 1.00 0.00 O ATOM 889 CB MET A 61 -0.463 -0.750 5.790 1.00 0.00 C ATOM 890 CG MET A 61 0.437 0.308 5.149 1.00 0.00 C ATOM 891 SD MET A 61 0.684 1.666 6.281 1.00 0.00 S ATOM 892 CE MET A 61 2.460 1.605 6.454 1.00 0.00 C ATOM 0 H MET A 61 -3.331 -1.210 6.073 1.00 0.00 H new ATOM 0 HA MET A 61 -1.263 0.293 7.505 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.124 -1.367 6.470 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.858 -1.412 5.019 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.397 -0.133 4.882 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.015 0.671 4.226 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.740 1.946 7.450 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.805 0.581 6.311 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.921 2.251 5.706 1.00 0.00 H new ATOM 902 N LEU A 62 -2.398 2.178 6.413 1.00 0.00 N ATOM 903 CA LEU A 62 -2.931 3.362 5.762 1.00 0.00 C ATOM 904 C LEU A 62 -1.784 4.323 5.444 1.00 0.00 C ATOM 905 O LEU A 62 -1.192 4.911 6.348 1.00 0.00 O ATOM 906 CB LEU A 62 -4.040 3.988 6.611 1.00 0.00 C ATOM 907 CG LEU A 62 -5.215 3.072 6.960 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.821 2.060 8.037 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.445 3.888 7.362 1.00 0.00 C ATOM 0 H LEU A 62 -2.214 2.286 7.410 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.399 3.097 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.599 4.350 7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.428 4.858 6.082 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.482 2.505 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.674 1.422 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.996 1.447 7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.512 2.590 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.266 3.213 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.208 4.499 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.739 4.534 6.535 1.00 0.00 H new ATOM 921 N VAL A 63 -1.505 4.454 4.155 1.00 0.00 N ATOM 922 CA VAL A 63 -0.439 5.334 3.706 1.00 0.00 C ATOM 923 C VAL A 63 -1.044 6.650 3.213 1.00 0.00 C ATOM 924 O VAL A 63 -2.065 6.650 2.528 1.00 0.00 O ATOM 925 CB VAL A 63 0.408 4.630 2.644 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.580 5.511 2.205 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.902 3.272 3.148 1.00 0.00 C ATOM 0 H VAL A 63 -1.998 3.966 3.408 1.00 0.00 H new ATOM 0 HA VAL A 63 0.232 5.574 4.531 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.224 4.455 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.166 4.987 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.198 6.442 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.211 5.732 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.501 2.793 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.510 3.415 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.047 2.640 3.388 1.00 0.00 H new ATOM 937 N THR A 64 -0.387 7.741 3.581 1.00 0.00 N ATOM 938 CA THR A 64 -0.848 9.061 3.184 1.00 0.00 C ATOM 939 C THR A 64 0.126 9.687 2.184 1.00 0.00 C ATOM 940 O THR A 64 1.338 9.505 2.296 1.00 0.00 O ATOM 941 CB THR A 64 -1.038 9.896 4.452 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.886 9.095 5.271 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.853 11.165 4.200 1.00 0.00 C ATOM 0 H THR A 64 0.460 7.738 4.149 1.00 0.00 H new ATOM 0 HA THR A 64 -1.806 9.007 2.667 1.00 0.00 H new ATOM 0 HB THR A 64 -0.063 10.166 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.819 9.226 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.958 11.721 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.342 11.785 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.840 10.895 3.825 1.00 0.00 H new ATOM 951 N PHE A 65 -0.440 10.411 1.230 1.00 0.00 N ATOM 952 CA PHE A 65 0.364 11.066 0.211 1.00 0.00 C ATOM 953 C PHE A 65 0.130 12.578 0.217 1.00 0.00 C ATOM 954 O PHE A 65 -0.644 13.087 1.025 1.00 0.00 O ATOM 955 CB PHE A 65 -0.078 10.498 -1.139 1.00 0.00 C ATOM 956 CG PHE A 65 0.404 9.070 -1.401 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.633 8.855 -1.942 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.397 8.015 -1.094 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.081 7.530 -2.185 1.00 0.00 C ATOM 960 CE2 PHE A 65 0.050 6.689 -1.338 1.00 0.00 C ATOM 961 CZ PHE A 65 1.280 6.475 -1.878 1.00 0.00 C ATOM 0 H PHE A 65 -1.445 10.559 1.141 1.00 0.00 H new ATOM 0 HA PHE A 65 1.423 10.889 0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.167 10.518 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.292 11.147 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.269 9.693 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.373 8.185 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.058 7.360 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.586 5.851 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.620 5.467 -2.063 1.00 0.00 H new ATOM 971 N ALA A 66 0.814 13.253 -0.695 1.00 0.00 N ATOM 972 CA ALA A 66 0.692 14.696 -0.806 1.00 0.00 C ATOM 973 C ALA A 66 -0.401 15.034 -1.822 1.00 0.00 C ATOM 974 O ALA A 66 -1.174 15.969 -1.620 1.00 0.00 O ATOM 975 CB ALA A 66 2.047 15.297 -1.186 1.00 0.00 C ATOM 0 H ALA A 66 1.455 12.827 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 66 0.400 15.130 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.954 16.380 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.781 15.053 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.372 14.886 -2.142 1.00 0.00 H new ATOM 981 N ASP A 67 -0.430 14.255 -2.894 1.00 0.00 N ATOM 982 CA ASP A 67 -1.415 14.460 -3.942 1.00 0.00 C ATOM 983 C ASP A 67 -2.402 13.292 -3.944 1.00 0.00 C ATOM 984 O ASP A 67 -2.140 12.252 -3.341 1.00 0.00 O ATOM 985 CB ASP A 67 -0.750 14.520 -5.319 1.00 0.00 C ATOM 986 CG ASP A 67 0.501 15.396 -5.395 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.583 14.872 -5.054 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.347 16.571 -5.793 1.00 0.00 O ATOM 0 H ASP A 67 0.213 13.481 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.924 15.404 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.485 13.507 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.478 14.889 -6.042 1.00 0.00 H new ATOM 993 N SER A 68 -3.517 13.501 -4.628 1.00 0.00 N ATOM 994 CA SER A 68 -4.545 12.478 -4.716 1.00 0.00 C ATOM 995 C SER A 68 -4.302 11.597 -5.943 1.00 0.00 C ATOM 996 O SER A 68 -4.296 10.371 -5.840 1.00 0.00 O ATOM 997 CB SER A 68 -5.940 13.103 -4.780 1.00 0.00 C ATOM 998 OG SER A 68 -6.159 13.797 -6.004 1.00 0.00 O ATOM 0 H SER A 68 -3.731 14.364 -5.127 1.00 0.00 H new ATOM 0 HA SER A 68 -4.493 11.863 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.692 12.322 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.067 13.792 -3.945 1.00 0.00 H new ATOM 0 HG SER A 68 -7.061 14.180 -6.006 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.109 12.256 -7.076 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.866 11.547 -8.322 1.00 0.00 C ATOM 1006 C HIS A 69 -2.904 10.384 -8.071 1.00 0.00 C ATOM 1007 O HIS A 69 -3.112 9.282 -8.576 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.368 12.507 -9.404 1.00 0.00 C ATOM 1009 CG HIS A 69 -1.926 12.924 -9.239 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -1.552 14.086 -8.588 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -0.772 12.322 -9.647 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -0.229 14.170 -8.609 1.00 0.00 C ATOM 1013 NE2 HIS A 69 0.252 13.076 -9.266 1.00 0.00 N ATOM 0 H HIS A 69 -4.116 13.273 -7.158 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.800 11.126 -8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.489 12.034 -10.379 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.996 13.398 -9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.703 11.390 -10.188 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.364 14.965 -8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.236 12.871 -9.437 1.00 0.00 H new ATOM 1021 N SER A 70 -1.870 10.670 -7.293 1.00 0.00 N ATOM 1022 CA SER A 70 -0.875 9.662 -6.969 1.00 0.00 C ATOM 1023 C SER A 70 -1.564 8.382 -6.493 1.00 0.00 C ATOM 1024 O SER A 70 -1.423 7.329 -7.113 1.00 0.00 O ATOM 1025 CB SER A 70 0.098 10.170 -5.904 1.00 0.00 C ATOM 1026 OG SER A 70 1.311 10.651 -6.474 1.00 0.00 O ATOM 0 H SER A 70 -1.700 11.586 -6.878 1.00 0.00 H new ATOM 0 HA SER A 70 -0.302 9.445 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.375 10.968 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.321 9.365 -5.204 1.00 0.00 H new ATOM 0 HG SER A 70 1.678 11.362 -5.909 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.293 8.513 -5.395 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.004 7.380 -4.827 1.00 0.00 C ATOM 1034 C ALA A 71 -3.788 6.671 -5.933 1.00 0.00 C ATOM 1035 O ALA A 71 -3.717 5.450 -6.064 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.905 7.860 -3.689 1.00 0.00 C ATOM 0 H ALA A 71 -2.407 9.388 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.304 6.659 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.438 7.010 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.296 8.330 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.624 8.583 -4.074 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.519 7.466 -6.700 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.317 6.930 -7.789 1.00 0.00 C ATOM 1044 C LEU A 72 -4.508 5.863 -8.530 1.00 0.00 C ATOM 1045 O LEU A 72 -4.930 4.711 -8.622 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.818 8.058 -8.693 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.659 7.834 -10.198 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.448 6.605 -10.655 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.045 9.088 -10.983 1.00 0.00 C ATOM 0 H LEU A 72 -4.575 8.478 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.211 6.442 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.874 8.225 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.290 8.973 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.607 7.637 -10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.318 6.468 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.083 5.722 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.505 6.748 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.923 8.901 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.085 9.341 -10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.403 9.917 -10.684 1.00 0.00 H new ATOM 1061 N SER A 73 -3.360 6.284 -9.039 1.00 0.00 N ATOM 1062 CA SER A 73 -2.488 5.378 -9.769 1.00 0.00 C ATOM 1063 C SER A 73 -2.170 4.153 -8.910 1.00 0.00 C ATOM 1064 O SER A 73 -2.292 3.019 -9.371 1.00 0.00 O ATOM 1065 CB SER A 73 -1.196 6.079 -10.192 1.00 0.00 C ATOM 1066 OG SER A 73 -1.127 6.265 -11.604 1.00 0.00 O ATOM 0 H SER A 73 -3.013 7.240 -8.961 1.00 0.00 H new ATOM 0 HA SER A 73 -3.007 5.056 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.129 7.047 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.340 5.491 -9.861 1.00 0.00 H new ATOM 0 HG SER A 73 -0.288 6.717 -11.834 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.768 4.422 -7.677 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.432 3.355 -6.750 1.00 0.00 C ATOM 1074 C VAL A 74 -2.661 2.471 -6.529 1.00 0.00 C ATOM 1075 O VAL A 74 -2.532 1.304 -6.162 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.879 3.946 -5.451 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.640 2.851 -4.409 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.400 4.743 -5.712 1.00 0.00 C ATOM 0 H VAL A 74 -1.667 5.364 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.647 2.722 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.625 4.632 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.247 3.297 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.581 2.345 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.078 2.129 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.772 5.152 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.155 4.088 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.186 5.558 -6.403 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.824 3.060 -6.761 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.075 2.341 -6.593 1.00 0.00 C ATOM 1090 C LEU A 75 -5.364 1.526 -7.855 1.00 0.00 C ATOM 1091 O LEU A 75 -6.121 0.557 -7.813 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.201 3.304 -6.211 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.096 3.943 -4.825 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.927 5.225 -4.748 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.480 2.944 -3.731 1.00 0.00 C ATOM 0 H LEU A 75 -3.927 4.028 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.999 1.634 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.239 4.100 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.148 2.767 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.056 4.223 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.835 5.659 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.566 5.938 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.973 4.993 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.397 3.423 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.506 2.612 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.810 2.085 -3.771 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.746 1.949 -8.948 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.928 1.271 -10.220 1.00 0.00 C ATOM 1109 C ASP A 76 -3.840 0.208 -10.387 1.00 0.00 C ATOM 1110 O ASP A 76 -4.137 -0.949 -10.679 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.814 2.252 -11.389 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.108 2.475 -12.174 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.030 3.081 -11.588 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.145 2.035 -13.344 1.00 0.00 O ATOM 0 H ASP A 76 -4.119 2.753 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.921 0.821 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.469 3.212 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.048 1.889 -12.075 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.602 0.640 -10.193 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.468 -0.260 -10.318 1.00 0.00 C ATOM 1121 C VAL A 77 -1.430 -1.197 -9.110 1.00 0.00 C ATOM 1122 O VAL A 77 -0.666 -2.161 -9.091 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.178 0.545 -10.492 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.419 0.922 -9.135 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.836 -0.221 -11.344 1.00 0.00 C ATOM 0 H VAL A 77 -2.360 1.601 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.570 -0.882 -11.208 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.426 1.467 -11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.335 1.493 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.297 1.526 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.645 0.016 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.743 0.373 -11.452 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.077 -1.167 -10.859 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.411 -0.416 -12.328 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.264 -0.881 -8.130 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.335 -1.683 -6.920 1.00 0.00 C ATOM 1137 C ASP A 78 -2.228 -3.164 -7.288 1.00 0.00 C ATOM 1138 O ASP A 78 -1.505 -3.918 -6.638 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.666 -1.470 -6.196 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.826 -2.326 -6.710 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.863 -3.517 -6.332 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.648 -1.770 -7.470 1.00 0.00 O ATOM 0 H ASP A 78 -2.896 -0.081 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.517 -1.381 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.523 -1.678 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.944 -0.419 -6.280 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.958 -3.536 -8.329 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.955 -4.914 -8.791 1.00 0.00 C ATOM 1149 C GLY A 79 -1.552 -5.519 -8.699 1.00 0.00 C ATOM 1150 O GLY A 79 -1.402 -6.707 -8.419 1.00 0.00 O ATOM 0 H GLY A 79 -3.556 -2.907 -8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.649 -5.504 -8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.307 -4.957 -9.822 1.00 0.00 H new ATOM 1154 N MET A 80 -0.561 -4.674 -8.942 1.00 0.00 N ATOM 1155 CA MET A 80 0.824 -5.111 -8.890 1.00 0.00 C ATOM 1156 C MET A 80 1.050 -6.080 -7.728 1.00 0.00 C ATOM 1157 O MET A 80 0.261 -6.120 -6.786 1.00 0.00 O ATOM 1158 CB MET A 80 1.737 -3.894 -8.726 1.00 0.00 C ATOM 1159 CG MET A 80 1.640 -3.323 -7.310 1.00 0.00 C ATOM 1160 SD MET A 80 2.850 -2.029 -7.090 1.00 0.00 S ATOM 1161 CE MET A 80 1.989 -0.995 -5.917 1.00 0.00 C ATOM 0 H MET A 80 -0.689 -3.689 -9.175 1.00 0.00 H new ATOM 0 HA MET A 80 1.058 -5.629 -9.820 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.768 -4.177 -8.938 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.461 -3.128 -9.451 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.639 -2.929 -7.135 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.804 -4.114 -6.578 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.427 0.003 -5.921 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.936 -0.930 -6.193 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.077 -1.425 -4.919 1.00 0.00 H new ATOM 1171 N LYS A 81 2.132 -6.837 -7.833 1.00 0.00 N ATOM 1172 CA LYS A 81 2.473 -7.804 -6.803 1.00 0.00 C ATOM 1173 C LYS A 81 3.816 -7.423 -6.177 1.00 0.00 C ATOM 1174 O LYS A 81 4.705 -6.923 -6.863 1.00 0.00 O ATOM 1175 CB LYS A 81 2.438 -9.225 -7.368 1.00 0.00 C ATOM 1176 CG LYS A 81 1.000 -9.737 -7.478 1.00 0.00 C ATOM 1177 CD LYS A 81 0.709 -10.256 -8.887 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.798 -10.349 -9.136 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.226 -11.764 -9.203 1.00 0.00 N ATOM 0 H LYS A 81 2.785 -6.800 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 81 1.732 -7.787 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.910 -9.241 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.016 -9.890 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.837 -10.534 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.305 -8.935 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.163 -9.593 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.164 -11.238 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.337 -9.837 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.051 -9.842 -10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.251 -11.809 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.725 -12.242 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.003 -12.237 -8.304 1.00 0.00 H new ATOM 1193 N VAL A 82 3.921 -7.675 -4.880 1.00 0.00 N ATOM 1194 CA VAL A 82 5.141 -7.366 -4.154 1.00 0.00 C ATOM 1195 C VAL A 82 5.666 -8.636 -3.483 1.00 0.00 C ATOM 1196 O VAL A 82 4.925 -9.326 -2.785 1.00 0.00 O ATOM 1197 CB VAL A 82 4.885 -6.228 -3.163 1.00 0.00 C ATOM 1198 CG1 VAL A 82 6.185 -5.787 -2.488 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.195 -5.048 -3.849 1.00 0.00 C ATOM 0 H VAL A 82 3.181 -8.090 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 82 5.915 -7.017 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 82 4.216 -6.602 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.975 -4.977 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.619 -6.629 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.888 -5.440 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.025 -4.254 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.828 -4.674 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.240 -5.374 -4.260 1.00 0.00 H new ATOM 1209 N LYS A 83 6.942 -8.907 -3.718 1.00 0.00 N ATOM 1210 CA LYS A 83 7.575 -10.083 -3.145 1.00 0.00 C ATOM 1211 C LYS A 83 6.837 -11.337 -3.620 1.00 0.00 C ATOM 1212 O LYS A 83 6.817 -12.350 -2.924 1.00 0.00 O ATOM 1213 CB LYS A 83 7.658 -9.958 -1.623 1.00 0.00 C ATOM 1214 CG LYS A 83 8.844 -9.084 -1.208 1.00 0.00 C ATOM 1215 CD LYS A 83 9.504 -9.622 0.063 1.00 0.00 C ATOM 1216 CE LYS A 83 10.856 -8.948 0.307 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.869 -9.462 -0.641 1.00 0.00 N ATOM 0 H LYS A 83 7.554 -8.332 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 83 8.605 -10.168 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.733 -9.528 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.758 -10.948 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.575 -9.050 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.506 -8.061 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.849 -9.451 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.641 -10.700 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.757 -7.869 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.181 -9.132 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.819 -9.198 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.798 -10.498 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.703 -9.052 -1.582 1.00 0.00 H new ATOM 1231 N GLY A 84 6.250 -11.226 -4.802 1.00 0.00 N ATOM 1232 CA GLY A 84 5.513 -12.339 -5.378 1.00 0.00 C ATOM 1233 C GLY A 84 4.153 -12.507 -4.697 1.00 0.00 C ATOM 1234 O GLY A 84 3.498 -13.536 -4.857 1.00 0.00 O ATOM 0 H GLY A 84 6.269 -10.384 -5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.371 -12.172 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.092 -13.256 -5.273 1.00 0.00 H new ATOM 1238 N ARG A 85 3.769 -11.481 -3.952 1.00 0.00 N ATOM 1239 CA ARG A 85 2.500 -11.503 -3.246 1.00 0.00 C ATOM 1240 C ARG A 85 1.536 -10.482 -3.854 1.00 0.00 C ATOM 1241 O ARG A 85 1.935 -9.365 -4.181 1.00 0.00 O ATOM 1242 CB ARG A 85 2.691 -11.191 -1.760 1.00 0.00 C ATOM 1243 CG ARG A 85 3.290 -12.389 -1.021 1.00 0.00 C ATOM 1244 CD ARG A 85 2.881 -12.385 0.454 1.00 0.00 C ATOM 1245 NE ARG A 85 2.624 -13.768 0.911 1.00 0.00 N ATOM 1246 CZ ARG A 85 3.584 -14.671 1.152 1.00 0.00 C ATOM 1247 NH1 ARG A 85 4.872 -14.342 0.979 1.00 0.00 N ATOM 1248 NH2 ARG A 85 3.257 -15.903 1.565 1.00 0.00 N ATOM 0 H ARG A 85 4.315 -10.629 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 85 2.083 -12.505 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.344 -10.326 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.732 -10.926 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.958 -13.314 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.377 -12.363 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.669 -11.934 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.987 -11.776 0.591 1.00 0.00 H new ATOM 0 HE ARG A 85 1.655 -14.052 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.121 -13.404 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.603 -15.029 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.277 -16.154 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.988 -16.590 1.748 1.00 0.00 H new ATOM 1262 N ALA A 86 0.287 -10.901 -3.988 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.736 -10.037 -4.552 1.00 0.00 C ATOM 1264 C ALA A 86 -1.118 -8.969 -3.525 1.00 0.00 C ATOM 1265 O ALA A 86 -1.721 -9.278 -2.498 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.935 -10.882 -4.988 1.00 0.00 C ATOM 0 H ALA A 86 -0.040 -11.828 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.360 -9.524 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.702 -10.234 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.617 -11.605 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.341 -11.410 -4.125 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.751 -7.735 -3.838 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.048 -6.620 -2.955 1.00 0.00 C ATOM 1274 C VAL A 87 -2.300 -5.897 -3.456 1.00 0.00 C ATOM 1275 O VAL A 87 -2.573 -5.879 -4.656 1.00 0.00 O ATOM 1276 CB VAL A 87 0.170 -5.700 -2.847 1.00 0.00 C ATOM 1277 CG1 VAL A 87 1.362 -6.438 -2.235 1.00 0.00 C ATOM 1278 CG2 VAL A 87 0.533 -5.108 -4.211 1.00 0.00 C ATOM 0 H VAL A 87 -0.251 -7.483 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.260 -6.977 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.091 -4.876 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.214 -5.762 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.099 -6.788 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.623 -7.291 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.402 -4.458 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.765 -5.914 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.309 -4.530 -4.592 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.029 -5.319 -2.512 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.246 -4.598 -2.843 1.00 0.00 C ATOM 1290 C LYS A 88 -4.297 -3.298 -2.037 1.00 0.00 C ATOM 1291 O LYS A 88 -4.003 -3.292 -0.843 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.470 -5.493 -2.645 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.655 -4.993 -3.474 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.737 -6.068 -3.589 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.100 -5.523 -3.160 1.00 0.00 C ATOM 1296 NZ LYS A 88 -10.005 -6.630 -2.778 1.00 0.00 N ATOM 0 H LYS A 88 -2.800 -5.336 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.251 -4.321 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.227 -6.516 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.743 -5.514 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.074 -4.098 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.313 -4.709 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.792 -6.425 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.472 -6.924 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.977 -4.840 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.542 -4.949 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.926 -6.242 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.137 -7.267 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.589 -7.160 -1.986 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.674 -2.229 -2.723 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.769 -0.926 -2.086 1.00 0.00 C ATOM 1312 C ILE A 89 -6.183 -0.373 -2.272 1.00 0.00 C ATOM 1313 O ILE A 89 -6.637 -0.187 -3.400 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.671 0.005 -2.605 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.290 -0.637 -2.453 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.745 1.373 -1.924 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.639 -0.865 -3.819 1.00 0.00 C ATOM 0 H ILE A 89 -4.917 -2.238 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.600 -1.014 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.836 0.166 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.652 0.004 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.382 -1.587 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.954 2.015 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.714 1.829 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.620 1.251 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.659 -1.322 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.268 -1.525 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.526 0.090 -4.332 1.00 0.00 H new ATOM 1329 N SER A 90 -6.840 -0.127 -1.148 1.00 0.00 N ATOM 1330 CA SER A 90 -8.194 0.401 -1.174 1.00 0.00 C ATOM 1331 C SER A 90 -8.207 1.834 -0.640 1.00 0.00 C ATOM 1332 O SER A 90 -7.162 2.376 -0.281 1.00 0.00 O ATOM 1333 CB SER A 90 -9.143 -0.478 -0.357 1.00 0.00 C ATOM 1334 OG SER A 90 -10.461 -0.489 -0.899 1.00 0.00 O ATOM 0 H SER A 90 -6.461 -0.283 -0.214 1.00 0.00 H new ATOM 0 HA SER A 90 -8.541 0.402 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.756 -1.496 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.177 -0.117 0.671 1.00 0.00 H new ATOM 0 HG SER A 90 -11.036 -1.063 -0.350 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.400 2.408 -0.604 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.563 3.768 -0.120 1.00 0.00 C ATOM 1342 C GLY A 91 -10.378 3.796 1.174 1.00 0.00 C ATOM 1343 O GLY A 91 -11.548 3.418 1.184 1.00 0.00 O ATOM 0 H GLY A 91 -10.264 1.956 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.584 4.216 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.060 4.371 -0.880 1.00 0.00 H new ATOM 1347 N PRO A 92 -9.710 4.261 2.264 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.359 4.343 3.561 1.00 0.00 C ATOM 1349 C PRO A 92 -11.333 5.522 3.613 1.00 0.00 C ATOM 1350 O PRO A 92 -11.120 6.475 4.361 1.00 0.00 O ATOM 1351 CB PRO A 92 -9.223 4.467 4.563 1.00 0.00 C ATOM 1352 CG PRO A 92 -8.010 4.916 3.765 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.323 4.718 2.290 1.00 0.00 C ATOM 0 HA PRO A 92 -10.972 3.469 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.467 5.189 5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.034 3.515 5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.784 5.962 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.131 4.338 4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.201 5.646 1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.656 3.984 1.838 1.00 0.00 H new ATOM 1361 N SER A 93 -12.381 5.418 2.809 1.00 0.00 N ATOM 1362 CA SER A 93 -13.388 6.464 2.753 1.00 0.00 C ATOM 1363 C SER A 93 -14.712 5.946 3.319 1.00 0.00 C ATOM 1364 O SER A 93 -15.081 4.795 3.090 1.00 0.00 O ATOM 1365 CB SER A 93 -13.583 6.966 1.321 1.00 0.00 C ATOM 1366 OG SER A 93 -13.989 8.332 1.285 1.00 0.00 O ATOM 0 H SER A 93 -12.555 4.625 2.191 1.00 0.00 H new ATOM 0 HA SER A 93 -13.044 7.302 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.652 6.850 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.331 6.352 0.820 1.00 0.00 H new ATOM 0 HG SER A 93 -14.101 8.615 0.354 1.00 0.00 H new ATOM 1372 N SER A 94 -15.390 6.821 4.046 1.00 0.00 N ATOM 1373 CA SER A 94 -16.665 6.466 4.647 1.00 0.00 C ATOM 1374 C SER A 94 -17.776 7.350 4.076 1.00 0.00 C ATOM 1375 O SER A 94 -17.703 8.575 4.157 1.00 0.00 O ATOM 1376 CB SER A 94 -16.613 6.598 6.170 1.00 0.00 C ATOM 1377 OG SER A 94 -16.330 5.353 6.804 1.00 0.00 O ATOM 0 H SER A 94 -15.081 7.775 4.233 1.00 0.00 H new ATOM 0 HA SER A 94 -16.877 5.424 4.407 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.850 7.327 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.566 6.982 6.534 1.00 0.00 H new ATOM 0 HG SER A 94 -16.303 5.479 7.775 1.00 0.00 H new ATOM 1383 N GLY A 95 -18.779 6.694 3.511 1.00 0.00 N ATOM 1384 CA GLY A 95 -19.904 7.405 2.927 1.00 0.00 C ATOM 1385 C GLY A 95 -20.705 6.493 1.995 1.00 0.00 C ATOM 1386 O GLY A 95 -20.689 5.273 2.150 1.00 0.00 O ATOM 0 H GLY A 95 -18.836 5.678 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.552 7.781 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.543 8.271 2.372 1.00 0.00 H new TER 1390 GLY A 95