USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 SER OG : rot 160:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.23) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.319 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.878 (180deg=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= 0.518 (180deg=-1.14) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 25:sc= 0.963 USER MOD Single : A 47 MET CE :methyl -174:sc= -0.398 (180deg=-0.455) USER MOD Single : A 53 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -0.438 (180deg=-3.27!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 10:sc= 0.935 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 64 TYR OH : rot 151:sc= 0 USER MOD Single : A 69 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 71 ASN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 76 MET CE :methyl -156:sc= -2.16 (180deg=-3.43) USER MOD Single : A 79 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.61) USER MOD Single : A 81 MET CE :methyl 180:sc= -0.104 (180deg=-0.104) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 81:sc= 0.91 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -9.962 11.356 -0.056 1.00 1.00 N ATOM 28 CA ARG A 3 -10.411 10.065 -0.608 1.00 1.00 C ATOM 29 C ARG A 3 -9.285 9.102 -0.944 1.00 1.00 C ATOM 30 O ARG A 3 -9.394 7.937 -0.586 1.00 1.00 O ATOM 31 CB ARG A 3 -11.356 10.209 -1.807 1.00 1.00 C ATOM 32 CG ARG A 3 -12.530 11.170 -1.570 1.00 1.00 C ATOM 33 CD ARG A 3 -13.645 11.024 -2.619 1.00 1.00 C ATOM 34 NE ARG A 3 -13.140 11.037 -4.008 1.00 1.00 N ATOM 35 CZ ARG A 3 -13.595 11.751 -5.048 1.00 1.00 C ATOM 36 NH1 ARG A 3 -14.568 12.645 -4.911 1.00 1.00 N ATOM 37 NH2 ARG A 3 -13.044 11.549 -6.239 1.00 1.00 N ATOM 0 HA ARG A 3 -10.974 9.625 0.215 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.784 10.557 -2.667 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.751 9.226 -2.064 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.945 10.990 -0.578 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.161 12.196 -1.580 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.182 10.092 -2.443 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -14.363 11.834 -2.492 1.00 1.00 H new ATOM 0 HE ARG A 3 -12.346 10.426 -4.200 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -14.990 12.803 -3.996 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -14.893 13.173 -5.721 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -12.295 10.865 -6.345 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -13.370 12.078 -7.048 1.00 1.00 H new ATOM 51 N ALA A 4 -8.211 9.566 -1.584 1.00 1.00 N ATOM 52 CA ALA A 4 -7.040 8.731 -1.858 1.00 1.00 C ATOM 53 C ALA A 4 -6.564 8.060 -0.568 1.00 1.00 C ATOM 54 O ALA A 4 -6.421 6.844 -0.482 1.00 1.00 O ATOM 55 CB ALA A 4 -5.917 9.582 -2.472 1.00 1.00 C ATOM 0 H ALA A 4 -8.128 10.524 -1.925 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.314 7.955 -2.572 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.051 8.952 -2.672 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.265 10.026 -3.404 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.637 10.373 -1.776 1.00 1.00 H new ATOM 61 N ARG A 5 -6.329 8.882 0.451 1.00 1.00 N ATOM 62 CA ARG A 5 -5.780 8.454 1.723 1.00 1.00 C ATOM 63 C ARG A 5 -6.768 7.544 2.429 1.00 1.00 C ATOM 64 O ARG A 5 -6.381 6.497 2.917 1.00 1.00 O ATOM 65 CB ARG A 5 -5.488 9.664 2.619 1.00 1.00 C ATOM 66 CG ARG A 5 -4.924 10.872 1.872 1.00 1.00 C ATOM 67 CD ARG A 5 -4.265 11.800 2.890 1.00 1.00 C ATOM 68 NE ARG A 5 -4.196 13.162 2.367 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.261 14.270 3.107 1.00 1.00 C ATOM 70 NH1 ARG A 5 -4.136 14.218 4.432 1.00 1.00 N ATOM 71 NH2 ARG A 5 -4.463 15.436 2.508 1.00 1.00 N ATOM 0 H ARG A 5 -6.521 9.883 0.409 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.851 7.918 1.532 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.408 9.959 3.123 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -4.781 9.367 3.394 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.198 10.551 1.125 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.719 11.395 1.340 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.831 11.789 3.821 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.262 11.442 3.123 1.00 1.00 H new ATOM 0 HE ARG A 5 -4.090 13.275 1.359 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -3.988 13.322 4.896 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -4.188 15.075 4.983 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -4.566 15.477 1.494 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -4.515 16.291 3.061 1.00 1.00 H new ATOM 85 N ASP A 6 -8.032 7.942 2.485 1.00 1.00 N ATOM 86 CA ASP A 6 -9.077 7.244 3.217 1.00 1.00 C ATOM 87 C ASP A 6 -9.352 5.888 2.586 1.00 1.00 C ATOM 88 O ASP A 6 -9.676 4.938 3.290 1.00 1.00 O ATOM 89 CB ASP A 6 -10.340 8.106 3.274 1.00 1.00 C ATOM 90 CG ASP A 6 -10.129 9.404 4.052 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.291 9.445 4.981 1.00 1.00 O ATOM 92 OD2 ASP A 6 -10.805 10.413 3.730 1.00 1.00 O ATOM 0 H ASP A 6 -8.366 8.781 2.010 1.00 1.00 H new ATOM 0 HA ASP A 6 -8.743 7.068 4.240 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.660 8.343 2.259 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.145 7.535 3.738 1.00 1.00 H new ATOM 97 N ALA A 7 -9.190 5.781 1.268 1.00 1.00 N ATOM 98 CA ALA A 7 -9.310 4.528 0.556 1.00 1.00 C ATOM 99 C ALA A 7 -8.121 3.632 0.910 1.00 1.00 C ATOM 100 O ALA A 7 -8.338 2.454 1.194 1.00 1.00 O ATOM 101 CB ALA A 7 -9.405 4.818 -0.945 1.00 1.00 C ATOM 0 H ALA A 7 -8.970 6.575 0.666 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.215 3.995 0.847 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.496 3.879 -1.492 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.280 5.438 -1.141 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.507 5.343 -1.272 1.00 1.00 H new ATOM 107 N ILE A 8 -6.886 4.163 0.905 1.00 1.00 N ATOM 108 CA ILE A 8 -5.695 3.415 1.331 1.00 1.00 C ATOM 109 C ILE A 8 -5.955 2.927 2.762 1.00 1.00 C ATOM 110 O ILE A 8 -5.901 1.727 3.001 1.00 1.00 O ATOM 111 CB ILE A 8 -4.393 4.253 1.182 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.144 4.607 -0.305 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.144 3.568 1.755 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.230 5.823 -0.493 1.00 1.00 C ATOM 0 H ILE A 8 -6.688 5.118 0.607 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.526 2.553 0.685 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.557 5.157 1.769 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.701 3.747 -0.807 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.100 4.801 -0.790 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.277 4.214 1.613 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.287 3.381 2.819 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.979 2.622 1.240 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.097 6.017 -1.557 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.682 6.695 -0.019 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.261 5.624 -0.036 1.00 1.00 H new ATOM 126 N LEU A 9 -6.302 3.829 3.681 1.00 1.00 N ATOM 127 CA LEU A 9 -6.623 3.558 5.077 1.00 1.00 C ATOM 128 C LEU A 9 -7.604 2.409 5.175 1.00 1.00 C ATOM 129 O LEU A 9 -7.290 1.400 5.802 1.00 1.00 O ATOM 130 CB LEU A 9 -7.158 4.844 5.738 1.00 1.00 C ATOM 131 CG LEU A 9 -7.544 4.786 7.227 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.945 4.214 7.476 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.486 4.061 8.061 1.00 1.00 C ATOM 0 H LEU A 9 -6.369 4.822 3.456 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.725 3.255 5.615 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.401 5.620 5.619 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.036 5.167 5.178 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.581 5.823 7.560 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -9.149 4.203 8.547 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.686 4.834 6.972 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.997 3.197 7.087 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.796 4.042 9.106 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.373 3.040 7.697 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.534 4.584 7.975 1.00 1.00 H new ATOM 145 N ASP A 10 -8.765 2.542 4.534 1.00 1.00 N ATOM 146 CA ASP A 10 -9.811 1.533 4.578 1.00 1.00 C ATOM 147 C ASP A 10 -9.273 0.202 4.074 1.00 1.00 C ATOM 148 O ASP A 10 -9.608 -0.838 4.629 1.00 1.00 O ATOM 149 CB ASP A 10 -11.022 1.940 3.727 1.00 1.00 C ATOM 150 CG ASP A 10 -11.994 2.920 4.383 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.012 3.067 5.628 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.842 3.469 3.636 1.00 1.00 O ATOM 0 H ASP A 10 -9.003 3.357 3.969 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.133 1.438 5.615 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.659 2.383 2.800 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.572 1.039 3.456 1.00 1.00 H new ATOM 157 N ALA A 11 -8.447 0.202 3.023 1.00 1.00 N ATOM 158 CA ALA A 11 -7.866 -1.019 2.496 1.00 1.00 C ATOM 159 C ALA A 11 -6.906 -1.669 3.488 1.00 1.00 C ATOM 160 O ALA A 11 -7.004 -2.874 3.704 1.00 1.00 O ATOM 161 CB ALA A 11 -7.200 -0.772 1.140 1.00 1.00 C ATOM 0 H ALA A 11 -8.169 1.046 2.522 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.680 -1.726 2.340 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.773 -1.704 0.769 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.943 -0.406 0.431 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.409 -0.030 1.253 1.00 1.00 H new ATOM 167 N LEU A 12 -5.993 -0.906 4.093 1.00 1.00 N ATOM 168 CA LEU A 12 -5.045 -1.441 5.068 1.00 1.00 C ATOM 169 C LEU A 12 -5.819 -1.983 6.281 1.00 1.00 C ATOM 170 O LEU A 12 -5.480 -3.031 6.820 1.00 1.00 O ATOM 171 CB LEU A 12 -3.985 -0.419 5.485 1.00 1.00 C ATOM 172 CG LEU A 12 -2.790 -0.224 4.549 1.00 1.00 C ATOM 173 CD1 LEU A 12 -1.965 -1.469 4.194 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.214 0.469 3.279 1.00 1.00 C ATOM 0 H LEU A 12 -5.892 0.094 3.921 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.496 -2.256 4.597 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.477 0.546 5.609 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.603 -0.710 6.464 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.115 0.392 5.143 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.151 -1.188 3.525 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.553 -1.904 5.104 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.604 -2.200 3.700 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.349 0.597 2.628 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.965 -0.134 2.769 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.635 1.445 3.520 1.00 1.00 H new ATOM 186 N GLU A 13 -6.872 -1.288 6.706 1.00 1.00 N ATOM 187 CA GLU A 13 -7.786 -1.703 7.767 1.00 1.00 C ATOM 188 C GLU A 13 -8.494 -3.011 7.390 1.00 1.00 C ATOM 189 O GLU A 13 -8.727 -3.861 8.253 1.00 1.00 O ATOM 190 CB GLU A 13 -8.782 -0.582 8.100 1.00 1.00 C ATOM 191 CG GLU A 13 -8.123 0.600 8.836 1.00 1.00 C ATOM 192 CD GLU A 13 -7.712 0.342 10.290 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.056 -0.719 10.866 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.103 1.246 10.903 1.00 1.00 O ATOM 0 H GLU A 13 -7.121 -0.384 6.304 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.207 -1.896 8.670 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.238 -0.222 7.178 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.585 -0.986 8.716 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.237 0.902 8.277 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.813 1.443 8.819 1.00 1.00 H new ATOM 201 N ASN A 14 -8.947 -3.140 6.142 1.00 1.00 N ATOM 202 CA ASN A 14 -9.573 -4.330 5.579 1.00 1.00 C ATOM 203 C ASN A 14 -8.594 -5.493 5.387 1.00 1.00 C ATOM 204 O ASN A 14 -9.048 -6.607 5.111 1.00 1.00 O ATOM 205 CB ASN A 14 -10.254 -3.972 4.251 1.00 1.00 C ATOM 206 CG ASN A 14 -11.498 -3.090 4.340 1.00 1.00 C ATOM 207 OD1 ASN A 14 -11.871 -2.470 3.341 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.203 -3.031 5.461 1.00 1.00 N ATOM 0 H ASN A 14 -8.883 -2.379 5.466 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.316 -4.676 6.298 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.523 -3.469 3.618 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.528 -4.899 3.747 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.056 -2.472 5.499 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.893 -3.544 6.286 1.00 1.00 H new ATOM 215 N LEU A 15 -7.277 -5.299 5.522 1.00 1.00 N ATOM 216 CA LEU A 15 -6.311 -6.384 5.465 1.00 1.00 C ATOM 217 C LEU A 15 -6.233 -7.024 6.856 1.00 1.00 C ATOM 218 O LEU A 15 -6.785 -6.507 7.830 1.00 1.00 O ATOM 219 CB LEU A 15 -4.933 -5.848 5.028 1.00 1.00 C ATOM 220 CG LEU A 15 -4.761 -5.426 3.555 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.273 -5.381 3.186 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.485 -6.346 2.574 1.00 1.00 C ATOM 0 H LEU A 15 -6.858 -4.381 5.674 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.620 -7.130 4.733 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.695 -4.988 5.653 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.190 -6.616 5.246 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.210 -4.437 3.470 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.166 -5.082 2.143 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -2.761 -4.661 3.825 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -2.833 -6.368 3.327 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.323 -5.992 1.556 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.097 -7.360 2.672 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.553 -6.343 2.793 1.00 1.00 H new ATOM 234 N THR A 16 -5.564 -8.166 6.968 1.00 1.00 N ATOM 235 CA THR A 16 -5.329 -8.857 8.229 1.00 1.00 C ATOM 236 C THR A 16 -3.886 -8.679 8.666 1.00 1.00 C ATOM 237 O THR A 16 -3.099 -8.073 7.952 1.00 1.00 O ATOM 238 CB THR A 16 -5.685 -10.343 8.071 1.00 1.00 C ATOM 239 OG1 THR A 16 -4.871 -10.934 7.077 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.151 -10.549 7.704 1.00 1.00 C ATOM 0 H THR A 16 -5.161 -8.648 6.165 1.00 1.00 H new ATOM 0 HA THR A 16 -5.964 -8.429 9.004 1.00 1.00 H new ATOM 0 HB THR A 16 -5.508 -10.819 9.036 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.104 -11.881 6.984 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.355 -11.615 7.603 1.00 1.00 H new ATOM 0 HG22 THR A 16 -7.784 -10.131 8.487 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.363 -10.048 6.759 1.00 1.00 H new ATOM 248 N ALA A 17 -3.506 -9.208 9.827 1.00 1.00 N ATOM 249 CA ALA A 17 -2.115 -9.176 10.261 1.00 1.00 C ATOM 250 C ALA A 17 -1.208 -9.907 9.253 1.00 1.00 C ATOM 251 O ALA A 17 -0.067 -9.483 9.035 1.00 1.00 O ATOM 252 CB ALA A 17 -1.996 -9.772 11.665 1.00 1.00 C ATOM 0 H ALA A 17 -4.142 -9.663 10.482 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.778 -8.140 10.301 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.954 -9.746 11.984 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.603 -9.191 12.359 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.346 -10.804 11.653 1.00 1.00 H new ATOM 258 N GLU A 18 -1.705 -10.985 8.635 1.00 1.00 N ATOM 259 CA GLU A 18 -0.997 -11.712 7.587 1.00 1.00 C ATOM 260 C GLU A 18 -0.952 -10.891 6.301 1.00 1.00 C ATOM 261 O GLU A 18 0.119 -10.727 5.723 1.00 1.00 O ATOM 262 CB GLU A 18 -1.650 -13.076 7.318 1.00 1.00 C ATOM 263 CG GLU A 18 -0.781 -13.891 6.349 1.00 1.00 C ATOM 264 CD GLU A 18 -1.366 -15.273 6.078 1.00 1.00 C ATOM 265 OE1 GLU A 18 -1.114 -16.198 6.886 1.00 1.00 O ATOM 266 OE2 GLU A 18 -2.023 -15.452 5.025 1.00 1.00 O ATOM 0 H GLU A 18 -2.621 -11.377 8.855 1.00 1.00 H new ATOM 0 HA GLU A 18 0.022 -11.883 7.933 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.774 -13.620 8.254 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.645 -12.935 6.897 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.682 -13.349 5.409 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.222 -13.997 6.763 1.00 1.00 H new ATOM 273 N GLU A 19 -2.092 -10.380 5.834 1.00 1.00 N ATOM 274 CA GLU A 19 -2.106 -9.629 4.587 1.00 1.00 C ATOM 275 C GLU A 19 -1.276 -8.351 4.758 1.00 1.00 C ATOM 276 O GLU A 19 -0.516 -7.984 3.873 1.00 1.00 O ATOM 277 CB GLU A 19 -3.539 -9.312 4.149 1.00 1.00 C ATOM 278 CG GLU A 19 -4.399 -10.526 3.765 1.00 1.00 C ATOM 279 CD GLU A 19 -4.104 -11.063 2.363 1.00 1.00 C ATOM 280 OE1 GLU A 19 -2.932 -11.383 2.066 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.063 -11.267 1.580 1.00 1.00 O ATOM 0 H GLU A 19 -2.999 -10.472 6.293 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.661 -10.236 3.798 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.037 -8.777 4.958 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.498 -8.634 3.296 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.236 -11.322 4.492 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.452 -10.250 3.826 1.00 1.00 H new ATOM 288 N LEU A 20 -1.335 -7.689 5.914 1.00 1.00 N ATOM 289 CA LEU A 20 -0.511 -6.525 6.201 1.00 1.00 C ATOM 290 C LEU A 20 0.955 -6.925 6.151 1.00 1.00 C ATOM 291 O LEU A 20 1.717 -6.272 5.446 1.00 1.00 O ATOM 292 CB LEU A 20 -0.893 -5.866 7.547 1.00 1.00 C ATOM 293 CG LEU A 20 -2.224 -5.087 7.472 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.739 -4.626 8.833 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.040 -3.819 6.638 1.00 1.00 C ATOM 0 H LEU A 20 -1.959 -7.950 6.677 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.690 -5.767 5.439 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -0.970 -6.636 8.315 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.097 -5.188 7.854 1.00 1.00 H new ATOM 0 HG LEU A 20 -2.940 -5.783 7.034 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.677 -4.086 8.703 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.905 -5.493 9.472 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -2.003 -3.969 9.297 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.983 -3.275 6.590 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.280 -3.188 7.099 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.725 -4.089 5.630 1.00 1.00 H new ATOM 307 N LYS A 21 1.368 -8.008 6.817 1.00 1.00 N ATOM 308 CA LYS A 21 2.744 -8.499 6.716 1.00 1.00 C ATOM 309 C LYS A 21 3.148 -8.650 5.254 1.00 1.00 C ATOM 310 O LYS A 21 4.206 -8.167 4.853 1.00 1.00 O ATOM 311 CB LYS A 21 2.835 -9.851 7.419 1.00 1.00 C ATOM 312 CG LYS A 21 4.237 -10.476 7.328 1.00 1.00 C ATOM 313 CD LYS A 21 4.545 -11.529 8.403 1.00 1.00 C ATOM 314 CE LYS A 21 3.535 -12.683 8.478 1.00 1.00 C ATOM 315 NZ LYS A 21 2.357 -12.321 9.292 1.00 1.00 N ATOM 0 H LYS A 21 0.769 -8.560 7.431 1.00 1.00 H new ATOM 0 HA LYS A 21 3.420 -7.786 7.188 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.564 -9.729 8.468 1.00 1.00 H new ATOM 0 HB3 LYS A 21 2.108 -10.534 6.979 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.351 -10.936 6.346 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.979 -9.680 7.396 1.00 1.00 H new ATOM 0 HD2 LYS A 21 5.536 -11.943 8.214 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.586 -11.036 9.374 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.214 -12.953 7.472 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.017 -13.562 8.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 1.825 -13.181 9.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.670 -11.850 10.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 1.746 -11.677 8.751 1.00 1.00 H new ATOM 329 N LYS A 22 2.315 -9.330 4.468 1.00 1.00 N ATOM 330 CA LYS A 22 2.560 -9.569 3.057 1.00 1.00 C ATOM 331 C LYS A 22 2.685 -8.239 2.316 1.00 1.00 C ATOM 332 O LYS A 22 3.698 -8.059 1.657 1.00 1.00 O ATOM 333 CB LYS A 22 1.473 -10.495 2.493 1.00 1.00 C ATOM 334 CG LYS A 22 1.693 -11.976 2.831 1.00 1.00 C ATOM 335 CD LYS A 22 2.690 -12.647 1.876 1.00 1.00 C ATOM 336 CE LYS A 22 2.700 -14.148 2.169 1.00 1.00 C ATOM 337 NZ LYS A 22 3.153 -14.949 1.015 1.00 1.00 N ATOM 0 H LYS A 22 1.440 -9.734 4.803 1.00 1.00 H new ATOM 0 HA LYS A 22 3.509 -10.085 2.914 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.504 -10.182 2.881 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.435 -10.380 1.410 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.058 -12.063 3.854 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.740 -12.502 2.787 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.405 -12.464 0.840 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.687 -12.227 2.011 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.352 -14.344 3.021 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.697 -14.465 2.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.141 -15.958 1.267 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.517 -14.786 0.208 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.120 -14.668 0.756 1.00 1.00 H new ATOM 351 N PHE A 23 1.754 -7.291 2.443 1.00 1.00 N ATOM 352 CA PHE A 23 1.802 -5.983 1.781 1.00 1.00 C ATOM 353 C PHE A 23 3.140 -5.298 2.076 1.00 1.00 C ATOM 354 O PHE A 23 3.879 -4.866 1.184 1.00 1.00 O ATOM 355 CB PHE A 23 0.620 -5.130 2.286 1.00 1.00 C ATOM 356 CG PHE A 23 0.521 -3.737 1.685 1.00 1.00 C ATOM 357 CD1 PHE A 23 1.277 -2.676 2.224 1.00 1.00 C ATOM 358 CD2 PHE A 23 -0.342 -3.487 0.600 1.00 1.00 C ATOM 359 CE1 PHE A 23 1.183 -1.388 1.670 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.439 -2.192 0.056 1.00 1.00 C ATOM 361 CZ PHE A 23 0.325 -1.142 0.588 1.00 1.00 C ATOM 0 H PHE A 23 0.924 -7.414 3.024 1.00 1.00 H new ATOM 0 HA PHE A 23 1.719 -6.104 0.701 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.307 -5.664 2.078 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.698 -5.036 3.369 1.00 1.00 H new ATOM 0 HD1 PHE A 23 1.930 -2.854 3.065 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -0.931 -4.291 0.184 1.00 1.00 H new ATOM 0 HE1 PHE A 23 1.775 -0.583 2.080 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -1.104 -2.006 -0.774 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.253 -0.150 0.167 1.00 1.00 H new ATOM 371 N LYS A 24 3.457 -5.225 3.366 1.00 1.00 N ATOM 372 CA LYS A 24 4.630 -4.563 3.898 1.00 1.00 C ATOM 373 C LYS A 24 5.914 -5.223 3.369 1.00 1.00 C ATOM 374 O LYS A 24 6.877 -4.526 3.063 1.00 1.00 O ATOM 375 CB LYS A 24 4.502 -4.584 5.423 1.00 1.00 C ATOM 376 CG LYS A 24 3.299 -3.759 5.956 1.00 1.00 C ATOM 377 CD LYS A 24 3.142 -4.025 7.454 1.00 1.00 C ATOM 378 CE LYS A 24 2.178 -3.059 8.139 1.00 1.00 C ATOM 379 NZ LYS A 24 2.303 -3.178 9.603 1.00 1.00 N ATOM 0 H LYS A 24 2.877 -5.644 4.093 1.00 1.00 H new ATOM 0 HA LYS A 24 4.697 -3.526 3.570 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.400 -5.617 5.757 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.421 -4.196 5.862 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.462 -2.696 5.777 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.388 -4.036 5.426 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.788 -5.046 7.600 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.118 -3.954 7.933 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.393 -2.036 7.829 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.154 -3.276 7.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.359 -3.295 10.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.890 -4.004 9.835 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.748 -2.319 9.984 1.00 1.00 H new ATOM 393 N LEU A 25 5.949 -6.553 3.247 1.00 1.00 N ATOM 394 CA LEU A 25 7.065 -7.284 2.648 1.00 1.00 C ATOM 395 C LEU A 25 7.125 -6.971 1.162 1.00 1.00 C ATOM 396 O LEU A 25 8.204 -6.671 0.662 1.00 1.00 O ATOM 397 CB LEU A 25 6.881 -8.806 2.824 1.00 1.00 C ATOM 398 CG LEU A 25 7.285 -9.353 4.203 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.567 -10.681 4.469 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.796 -9.602 4.268 1.00 1.00 C ATOM 0 H LEU A 25 5.193 -7.158 3.566 1.00 1.00 H new ATOM 0 HA LEU A 25 7.986 -6.978 3.144 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.835 -9.054 2.643 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.466 -9.318 2.061 1.00 1.00 H new ATOM 0 HG LEU A 25 7.005 -8.613 4.952 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.858 -11.062 5.448 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.489 -10.522 4.447 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.843 -11.404 3.701 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.059 -9.989 5.253 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.078 -10.328 3.506 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.327 -8.666 4.092 1.00 1.00 H new ATOM 412 N LYS A 26 5.998 -7.063 0.450 1.00 1.00 N ATOM 413 CA LYS A 26 5.900 -6.894 -0.996 1.00 1.00 C ATOM 414 C LYS A 26 6.497 -5.564 -1.438 1.00 1.00 C ATOM 415 O LYS A 26 7.232 -5.562 -2.426 1.00 1.00 O ATOM 416 CB LYS A 26 4.446 -7.070 -1.456 1.00 1.00 C ATOM 417 CG LYS A 26 3.944 -8.526 -1.458 1.00 1.00 C ATOM 418 CD LYS A 26 4.602 -9.396 -2.529 1.00 1.00 C ATOM 419 CE LYS A 26 5.782 -10.228 -2.014 1.00 1.00 C ATOM 420 NZ LYS A 26 6.452 -10.944 -3.115 1.00 1.00 N ATOM 0 H LYS A 26 5.098 -7.265 0.885 1.00 1.00 H new ATOM 0 HA LYS A 26 6.490 -7.671 -1.481 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.800 -6.478 -0.808 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.346 -6.664 -2.463 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.129 -8.967 -0.479 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.865 -8.530 -1.611 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.853 -10.067 -2.949 1.00 1.00 H new ATOM 0 HD3 LYS A 26 4.948 -8.756 -3.341 1.00 1.00 H new ATOM 0 HE2 LYS A 26 6.498 -9.577 -1.512 1.00 1.00 H new ATOM 0 HE3 LYS A 26 5.429 -10.945 -1.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 7.246 -11.498 -2.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.774 -11.582 -3.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 6.809 -10.257 -3.809 1.00 1.00 H new ATOM 434 N LEU A 27 6.247 -4.468 -0.714 1.00 1.00 N ATOM 435 CA LEU A 27 6.888 -3.187 -1.029 1.00 1.00 C ATOM 436 C LEU A 27 8.405 -3.259 -1.062 1.00 1.00 C ATOM 437 O LEU A 27 9.029 -2.627 -1.914 1.00 1.00 O ATOM 438 CB LEU A 27 6.466 -2.080 -0.052 1.00 1.00 C ATOM 439 CG LEU A 27 5.117 -1.468 -0.430 1.00 1.00 C ATOM 440 CD1 LEU A 27 4.510 -0.685 0.735 1.00 1.00 C ATOM 441 CD2 LEU A 27 5.350 -0.520 -1.618 1.00 1.00 C ATOM 0 H LEU A 27 5.613 -4.441 0.085 1.00 1.00 H new ATOM 0 HA LEU A 27 6.541 -2.945 -2.033 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.409 -2.489 0.957 1.00 1.00 H new ATOM 0 HB3 LEU A 27 7.227 -1.300 -0.037 1.00 1.00 H new ATOM 0 HG LEU A 27 4.420 -2.265 -0.689 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.552 -0.264 0.430 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.360 -1.353 1.583 1.00 1.00 H new ATOM 0 HD13 LEU A 27 5.185 0.121 1.023 1.00 1.00 H new ATOM 0 HD21 LEU A 27 4.404 -0.066 -1.912 1.00 1.00 H new ATOM 0 HD22 LEU A 27 6.052 0.261 -1.328 1.00 1.00 H new ATOM 0 HD23 LEU A 27 5.759 -1.082 -2.457 1.00 1.00 H new ATOM 453 N LEU A 28 9.005 -4.039 -0.167 1.00 1.00 N ATOM 454 CA LEU A 28 10.445 -4.233 -0.138 1.00 1.00 C ATOM 455 C LEU A 28 10.735 -5.644 -0.668 1.00 1.00 C ATOM 456 O LEU A 28 11.513 -6.401 -0.085 1.00 1.00 O ATOM 457 CB LEU A 28 10.970 -3.944 1.274 1.00 1.00 C ATOM 458 CG LEU A 28 12.482 -3.594 1.362 1.00 1.00 C ATOM 459 CD1 LEU A 28 13.157 -4.378 2.483 1.00 1.00 C ATOM 460 CD2 LEU A 28 13.324 -3.661 0.076 1.00 1.00 C ATOM 0 H LEU A 28 8.503 -4.553 0.557 1.00 1.00 H new ATOM 0 HA LEU A 28 10.980 -3.537 -0.784 1.00 1.00 H new ATOM 0 HB2 LEU A 28 10.398 -3.117 1.694 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.779 -4.815 1.900 1.00 1.00 H new ATOM 0 HG LEU A 28 12.459 -2.526 1.577 1.00 1.00 H new ATOM 0 HD11 LEU A 28 14.214 -4.116 2.525 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.685 -4.133 3.434 1.00 1.00 H new ATOM 0 HD13 LEU A 28 13.055 -5.446 2.292 1.00 1.00 H new ATOM 0 HD21 LEU A 28 14.355 -3.390 0.302 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.295 -4.674 -0.326 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.919 -2.967 -0.661 1.00 1.00 H new ATOM 472 N SER A 29 10.051 -6.022 -1.750 1.00 1.00 N ATOM 473 CA SER A 29 10.219 -7.261 -2.486 1.00 1.00 C ATOM 474 C SER A 29 10.396 -6.839 -3.940 1.00 1.00 C ATOM 475 O SER A 29 11.513 -6.938 -4.459 1.00 1.00 O ATOM 476 CB SER A 29 9.029 -8.197 -2.241 1.00 1.00 C ATOM 477 OG SER A 29 9.336 -9.545 -2.532 1.00 1.00 O ATOM 0 H SER A 29 9.324 -5.431 -2.154 1.00 1.00 H new ATOM 0 HA SER A 29 11.084 -7.842 -2.166 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.714 -8.115 -1.201 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.187 -7.878 -2.855 1.00 1.00 H new ATOM 0 HG SER A 29 8.697 -10.132 -2.076 1.00 1.00 H new ATOM 483 N VAL A 30 9.341 -6.339 -4.589 1.00 1.00 N ATOM 484 CA VAL A 30 9.445 -5.804 -5.940 1.00 1.00 C ATOM 485 C VAL A 30 10.178 -4.460 -5.800 1.00 1.00 C ATOM 486 O VAL A 30 9.714 -3.604 -5.043 1.00 1.00 O ATOM 487 CB VAL A 30 8.058 -5.730 -6.626 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.924 -5.148 -5.764 1.00 1.00 C ATOM 489 CG2 VAL A 30 8.127 -4.971 -7.960 1.00 1.00 C ATOM 0 H VAL A 30 8.402 -6.296 -4.194 1.00 1.00 H new ATOM 0 HA VAL A 30 10.015 -6.449 -6.609 1.00 1.00 H new ATOM 0 HB VAL A 30 7.800 -6.775 -6.797 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.997 -5.141 -6.338 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.794 -5.761 -4.872 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.176 -4.129 -5.470 1.00 1.00 H new ATOM 0 HG21 VAL A 30 7.136 -4.939 -8.412 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.478 -3.954 -7.782 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.817 -5.480 -8.633 1.00 1.00 H new ATOM 499 N PRO A 31 11.347 -4.261 -6.435 1.00 1.00 N ATOM 500 CA PRO A 31 12.028 -2.981 -6.377 1.00 1.00 C ATOM 501 C PRO A 31 11.175 -1.953 -7.127 1.00 1.00 C ATOM 502 O PRO A 31 10.758 -2.193 -8.259 1.00 1.00 O ATOM 503 CB PRO A 31 13.395 -3.215 -7.026 1.00 1.00 C ATOM 504 CG PRO A 31 13.134 -4.348 -8.016 1.00 1.00 C ATOM 505 CD PRO A 31 12.050 -5.175 -7.323 1.00 1.00 C ATOM 0 HA PRO A 31 12.169 -2.596 -5.367 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.758 -2.319 -7.529 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.147 -3.493 -6.288 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.797 -3.970 -8.981 1.00 1.00 H new ATOM 0 HG3 PRO A 31 14.033 -4.936 -8.201 1.00 1.00 H new ATOM 0 HD2 PRO A 31 11.367 -5.611 -8.052 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.489 -6.001 -6.763 1.00 1.00 H new ATOM 513 N LEU A 32 10.938 -0.789 -6.520 1.00 1.00 N ATOM 514 CA LEU A 32 10.125 0.269 -7.132 1.00 1.00 C ATOM 515 C LEU A 32 11.021 1.089 -8.088 1.00 1.00 C ATOM 516 O LEU A 32 12.246 0.914 -8.095 1.00 1.00 O ATOM 517 CB LEU A 32 9.554 1.164 -6.014 1.00 1.00 C ATOM 518 CG LEU A 32 8.301 1.972 -6.422 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.029 1.145 -6.200 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.215 3.261 -5.608 1.00 1.00 C ATOM 0 H LEU A 32 11.300 -0.552 -5.597 1.00 1.00 H new ATOM 0 HA LEU A 32 9.297 -0.155 -7.700 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.305 0.539 -5.156 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.329 1.858 -5.689 1.00 1.00 H new ATOM 0 HG LEU A 32 8.386 2.217 -7.481 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.158 1.731 -6.493 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.075 0.238 -6.802 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.948 0.877 -5.146 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.328 3.821 -5.905 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.152 3.018 -4.547 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.103 3.866 -5.790 1.00 1.00 H new ATOM 532 N ARG A 33 10.438 2.009 -8.860 1.00 1.00 N ATOM 533 CA ARG A 33 11.138 2.784 -9.885 1.00 1.00 C ATOM 534 C ARG A 33 12.037 3.846 -9.258 1.00 1.00 C ATOM 535 O ARG A 33 11.952 4.135 -8.066 1.00 1.00 O ATOM 536 CB ARG A 33 10.107 3.421 -10.833 1.00 1.00 C ATOM 537 CG ARG A 33 9.398 2.358 -11.679 1.00 1.00 C ATOM 538 CD ARG A 33 8.380 2.990 -12.630 1.00 1.00 C ATOM 539 NE ARG A 33 7.715 1.956 -13.437 1.00 1.00 N ATOM 540 CZ ARG A 33 8.213 1.279 -14.480 1.00 1.00 C ATOM 541 NH1 ARG A 33 9.368 1.609 -15.048 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.540 0.242 -14.960 1.00 1.00 N ATOM 0 H ARG A 33 9.447 2.240 -8.788 1.00 1.00 H new ATOM 0 HA ARG A 33 11.783 2.115 -10.456 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.371 3.977 -10.253 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.605 4.137 -11.487 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.135 1.797 -12.253 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.894 1.646 -11.025 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.637 3.547 -12.059 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.880 3.704 -13.284 1.00 1.00 H new ATOM 0 HE ARG A 33 6.758 1.726 -13.170 1.00 1.00 H new ATOM 0 HH11 ARG A 33 9.904 2.400 -14.691 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.718 1.072 -15.841 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.654 -0.032 -14.535 1.00 1.00 H new ATOM 0 HH22 ARG A 33 7.908 -0.282 -15.754 1.00 1.00 H new ATOM 556 N GLU A 34 12.917 4.411 -10.079 1.00 1.00 N ATOM 557 CA GLU A 34 13.934 5.361 -9.654 1.00 1.00 C ATOM 558 C GLU A 34 13.312 6.755 -9.591 1.00 1.00 C ATOM 559 O GLU A 34 12.198 6.988 -10.079 1.00 1.00 O ATOM 560 CB GLU A 34 15.123 5.244 -10.631 1.00 1.00 C ATOM 561 CG GLU A 34 16.466 5.758 -10.087 1.00 1.00 C ATOM 562 CD GLU A 34 16.739 7.231 -10.374 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.002 7.586 -11.545 1.00 1.00 O ATOM 564 OE2 GLU A 34 16.771 8.022 -9.406 1.00 1.00 O ATOM 0 H GLU A 34 12.942 4.215 -11.080 1.00 1.00 H new ATOM 0 HA GLU A 34 14.314 5.153 -8.654 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.240 4.198 -10.914 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.882 5.795 -11.540 1.00 1.00 H new ATOM 0 HG2 GLU A 34 16.492 5.599 -9.009 1.00 1.00 H new ATOM 0 HG3 GLU A 34 17.271 5.161 -10.517 1.00 1.00 H new ATOM 571 N GLY A 35 14.006 7.685 -8.946 1.00 1.00 N ATOM 572 CA GLY A 35 13.565 9.054 -8.729 1.00 1.00 C ATOM 573 C GLY A 35 12.451 9.174 -7.691 1.00 1.00 C ATOM 574 O GLY A 35 12.084 10.294 -7.325 1.00 1.00 O ATOM 0 H GLY A 35 14.925 7.498 -8.546 1.00 1.00 H new ATOM 0 HA2 GLY A 35 14.416 9.656 -8.410 1.00 1.00 H new ATOM 0 HA3 GLY A 35 13.217 9.470 -9.674 1.00 1.00 H new ATOM 578 N TYR A 36 11.912 8.045 -7.226 1.00 1.00 N ATOM 579 CA TYR A 36 10.920 7.870 -6.176 1.00 1.00 C ATOM 580 C TYR A 36 11.590 7.016 -5.096 1.00 1.00 C ATOM 581 O TYR A 36 12.603 6.352 -5.360 1.00 1.00 O ATOM 582 CB TYR A 36 9.655 7.176 -6.728 1.00 1.00 C ATOM 583 CG TYR A 36 8.640 8.046 -7.466 1.00 1.00 C ATOM 584 CD1 TYR A 36 9.032 9.075 -8.346 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.264 7.811 -7.269 1.00 1.00 C ATOM 586 CE1 TYR A 36 8.077 9.906 -8.951 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.303 8.638 -7.876 1.00 1.00 C ATOM 588 CZ TYR A 36 6.708 9.717 -8.689 1.00 1.00 C ATOM 589 OH TYR A 36 5.803 10.549 -9.268 1.00 1.00 O ATOM 0 H TYR A 36 12.190 7.145 -7.617 1.00 1.00 H new ATOM 0 HA TYR A 36 10.595 8.829 -5.772 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.974 6.383 -7.405 1.00 1.00 H new ATOM 0 HB3 TYR A 36 9.143 6.696 -5.894 1.00 1.00 H new ATOM 0 HD1 TYR A 36 10.080 9.226 -8.557 1.00 1.00 H new ATOM 0 HD2 TYR A 36 6.945 6.988 -6.646 1.00 1.00 H new ATOM 0 HE1 TYR A 36 8.394 10.693 -9.620 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.252 8.447 -7.719 1.00 1.00 H new ATOM 0 HH TYR A 36 4.899 10.291 -8.992 1.00 1.00 H new ATOM 599 N GLY A 37 11.030 7.010 -3.890 1.00 1.00 N ATOM 600 CA GLY A 37 11.623 6.328 -2.749 1.00 1.00 C ATOM 601 C GLY A 37 11.032 4.942 -2.541 1.00 1.00 C ATOM 602 O GLY A 37 10.169 4.489 -3.296 1.00 1.00 O ATOM 0 H GLY A 37 10.150 7.480 -3.678 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.700 6.244 -2.897 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.470 6.926 -1.850 1.00 1.00 H new ATOM 606 N ARG A 38 11.470 4.254 -1.486 1.00 1.00 N ATOM 607 CA ARG A 38 10.955 2.957 -1.063 1.00 1.00 C ATOM 608 C ARG A 38 10.881 2.945 0.453 1.00 1.00 C ATOM 609 O ARG A 38 11.883 3.220 1.116 1.00 1.00 O ATOM 610 CB ARG A 38 11.847 1.824 -1.586 1.00 1.00 C ATOM 611 CG ARG A 38 11.914 1.828 -3.120 1.00 1.00 C ATOM 612 CD ARG A 38 12.642 0.587 -3.611 1.00 1.00 C ATOM 613 NE ARG A 38 13.080 0.704 -5.012 1.00 1.00 N ATOM 614 CZ ARG A 38 14.346 0.720 -5.437 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.351 1.043 -4.635 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.595 0.419 -6.700 1.00 1.00 N ATOM 0 H ARG A 38 12.218 4.598 -0.884 1.00 1.00 H new ATOM 0 HA ARG A 38 9.959 2.796 -1.476 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.851 1.930 -1.176 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.461 0.865 -1.239 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.907 1.858 -3.536 1.00 1.00 H new ATOM 0 HG3 ARG A 38 12.429 2.723 -3.468 1.00 1.00 H new ATOM 0 HD2 ARG A 38 13.510 0.405 -2.977 1.00 1.00 H new ATOM 0 HD3 ARG A 38 11.986 -0.278 -3.510 1.00 1.00 H new ATOM 0 HE ARG A 38 12.351 0.780 -5.722 1.00 1.00 H new ATOM 0 HH11 ARG A 38 15.168 1.289 -3.662 1.00 1.00 H new ATOM 0 HH12 ARG A 38 16.307 1.046 -4.991 1.00 1.00 H new ATOM 0 HH21 ARG A 38 13.828 0.181 -7.328 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.554 0.425 -7.046 1.00 1.00 H new ATOM 630 N ILE A 39 9.705 2.661 1.006 1.00 1.00 N ATOM 631 CA ILE A 39 9.534 2.513 2.446 1.00 1.00 C ATOM 632 C ILE A 39 9.950 1.056 2.702 1.00 1.00 C ATOM 633 O ILE A 39 9.415 0.168 2.034 1.00 1.00 O ATOM 634 CB ILE A 39 8.069 2.773 2.881 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.455 4.051 2.263 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.025 2.877 4.416 1.00 1.00 C ATOM 637 CD1 ILE A 39 5.949 4.208 2.509 1.00 1.00 C ATOM 0 H ILE A 39 8.848 2.528 0.470 1.00 1.00 H new ATOM 0 HA ILE A 39 10.123 3.231 3.017 1.00 1.00 H new ATOM 0 HB ILE A 39 7.471 1.938 2.516 1.00 1.00 H new ATOM 0 HG12 ILE A 39 7.971 4.921 2.669 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.637 4.045 1.188 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.000 3.060 4.739 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.383 1.945 4.854 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.661 3.699 4.743 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.598 5.129 2.043 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.419 3.359 2.078 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.758 4.248 3.581 1.00 1.00 H new ATOM 649 N PRO A 40 10.929 0.769 3.574 1.00 1.00 N ATOM 650 CA PRO A 40 11.405 -0.591 3.752 1.00 1.00 C ATOM 651 C PRO A 40 10.441 -1.386 4.633 1.00 1.00 C ATOM 652 O PRO A 40 9.699 -0.832 5.449 1.00 1.00 O ATOM 653 CB PRO A 40 12.779 -0.447 4.404 1.00 1.00 C ATOM 654 CG PRO A 40 12.551 0.762 5.301 1.00 1.00 C ATOM 655 CD PRO A 40 11.689 1.673 4.420 1.00 1.00 C ATOM 0 HA PRO A 40 11.468 -1.137 2.811 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.061 -1.334 4.971 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.567 -0.274 3.671 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.041 0.491 6.225 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.489 1.240 5.583 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.030 2.297 5.024 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.307 2.345 3.824 1.00 1.00 H new ATOM 663 N ARG A 41 10.522 -2.712 4.534 1.00 1.00 N ATOM 664 CA ARG A 41 9.675 -3.638 5.272 1.00 1.00 C ATOM 665 C ARG A 41 9.717 -3.379 6.776 1.00 1.00 C ATOM 666 O ARG A 41 8.664 -3.397 7.403 1.00 1.00 O ATOM 667 CB ARG A 41 10.040 -5.068 4.855 1.00 1.00 C ATOM 668 CG ARG A 41 9.372 -6.152 5.701 1.00 1.00 C ATOM 669 CD ARG A 41 10.406 -6.925 6.530 1.00 1.00 C ATOM 670 NE ARG A 41 9.763 -7.831 7.491 1.00 1.00 N ATOM 671 CZ ARG A 41 9.609 -7.630 8.805 1.00 1.00 C ATOM 672 NH1 ARG A 41 10.191 -6.619 9.443 1.00 1.00 N ATOM 673 NH2 ARG A 41 8.822 -8.459 9.462 1.00 1.00 N ATOM 0 H ARG A 41 11.194 -3.179 3.925 1.00 1.00 H new ATOM 0 HA ARG A 41 8.627 -3.481 5.017 1.00 1.00 H new ATOM 0 HB2 ARG A 41 9.762 -5.213 3.811 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.122 -5.189 4.916 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.636 -5.697 6.365 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.833 -6.842 5.052 1.00 1.00 H new ATOM 0 HD2 ARG A 41 11.051 -7.499 5.864 1.00 1.00 H new ATOM 0 HD3 ARG A 41 11.044 -6.221 7.064 1.00 1.00 H new ATOM 0 HE ARG A 41 9.395 -8.706 7.117 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.779 -5.963 8.929 1.00 1.00 H new ATOM 0 HH12 ARG A 41 10.049 -6.499 10.446 1.00 1.00 H new ATOM 0 HH21 ARG A 41 8.356 -9.220 8.968 1.00 1.00 H new ATOM 0 HH22 ARG A 41 8.679 -8.339 10.465 1.00 1.00 H new ATOM 687 N GLY A 42 10.879 -3.103 7.365 1.00 1.00 N ATOM 688 CA GLY A 42 10.958 -2.839 8.794 1.00 1.00 C ATOM 689 C GLY A 42 10.086 -1.655 9.201 1.00 1.00 C ATOM 690 O GLY A 42 9.285 -1.762 10.137 1.00 1.00 O ATOM 0 H GLY A 42 11.772 -3.057 6.875 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.646 -3.726 9.345 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.993 -2.640 9.070 1.00 1.00 H new ATOM 694 N ALA A 43 10.204 -0.547 8.464 1.00 1.00 N ATOM 695 CA ALA A 43 9.446 0.667 8.732 1.00 1.00 C ATOM 696 C ALA A 43 7.955 0.366 8.612 1.00 1.00 C ATOM 697 O ALA A 43 7.146 0.735 9.470 1.00 1.00 O ATOM 698 CB ALA A 43 9.867 1.760 7.753 1.00 1.00 C ATOM 0 H ALA A 43 10.831 -0.472 7.663 1.00 1.00 H new ATOM 0 HA ALA A 43 9.648 1.019 9.743 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.299 2.668 7.955 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.931 1.964 7.871 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.672 1.429 6.733 1.00 1.00 H new ATOM 704 N LEU A 44 7.614 -0.356 7.546 1.00 1.00 N ATOM 705 CA LEU A 44 6.267 -0.778 7.244 1.00 1.00 C ATOM 706 C LEU A 44 5.675 -1.587 8.402 1.00 1.00 C ATOM 707 O LEU A 44 4.553 -1.292 8.798 1.00 1.00 O ATOM 708 CB LEU A 44 6.265 -1.486 5.882 1.00 1.00 C ATOM 709 CG LEU A 44 6.525 -0.557 4.681 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.881 -1.362 3.436 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.293 0.287 4.351 1.00 1.00 C ATOM 0 H LEU A 44 8.295 -0.668 6.854 1.00 1.00 H new ATOM 0 HA LEU A 44 5.598 0.077 7.148 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.024 -2.268 5.892 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.302 -1.978 5.743 1.00 1.00 H new ATOM 0 HG LEU A 44 7.354 0.091 4.964 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.060 -0.683 2.602 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.780 -1.948 3.626 1.00 1.00 H new ATOM 0 HD13 LEU A 44 6.058 -2.032 3.188 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.511 0.931 3.499 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.458 -0.369 4.106 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.031 0.901 5.213 1.00 1.00 H new ATOM 723 N LEU A 45 6.395 -2.562 8.976 1.00 1.00 N ATOM 724 CA LEU A 45 5.916 -3.287 10.166 1.00 1.00 C ATOM 725 C LEU A 45 5.812 -2.410 11.403 1.00 1.00 C ATOM 726 O LEU A 45 4.934 -2.681 12.225 1.00 1.00 O ATOM 727 CB LEU A 45 6.694 -4.567 10.542 1.00 1.00 C ATOM 728 CG LEU A 45 6.360 -5.874 9.802 1.00 1.00 C ATOM 729 CD1 LEU A 45 4.909 -6.321 10.022 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.684 -5.823 8.319 1.00 1.00 C ATOM 0 H LEU A 45 7.308 -2.867 8.638 1.00 1.00 H new ATOM 0 HA LEU A 45 4.924 -3.600 9.840 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.755 -4.365 10.395 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.547 -4.743 11.608 1.00 1.00 H new ATOM 0 HG LEU A 45 7.013 -6.624 10.248 1.00 1.00 H new ATOM 0 HD11 LEU A 45 4.727 -7.248 9.478 1.00 1.00 H new ATOM 0 HD12 LEU A 45 4.736 -6.485 11.086 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.231 -5.548 9.659 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.425 -6.776 7.857 1.00 1.00 H new ATOM 0 HD22 LEU A 45 6.111 -5.024 7.849 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.749 -5.633 8.186 1.00 1.00 H new ATOM 742 N SER A 46 6.685 -1.420 11.607 1.00 1.00 N ATOM 743 CA SER A 46 6.498 -0.527 12.737 1.00 1.00 C ATOM 744 C SER A 46 5.233 0.334 12.583 1.00 1.00 C ATOM 745 O SER A 46 4.600 0.682 13.583 1.00 1.00 O ATOM 746 CB SER A 46 7.786 0.237 13.031 1.00 1.00 C ATOM 747 OG SER A 46 8.517 0.652 11.891 1.00 1.00 O ATOM 0 H SER A 46 7.499 -1.226 11.024 1.00 1.00 H new ATOM 0 HA SER A 46 6.301 -1.111 13.636 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.539 1.117 13.624 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.430 -0.392 13.646 1.00 1.00 H new ATOM 0 HG SER A 46 7.911 0.731 11.125 1.00 1.00 H new ATOM 753 N MET A 47 4.834 0.649 11.351 1.00 1.00 N ATOM 754 CA MET A 47 3.600 1.361 11.049 1.00 1.00 C ATOM 755 C MET A 47 2.376 0.434 11.083 1.00 1.00 C ATOM 756 O MET A 47 2.483 -0.795 11.144 1.00 1.00 O ATOM 757 CB MET A 47 3.730 2.004 9.665 1.00 1.00 C ATOM 758 CG MET A 47 4.755 3.141 9.661 1.00 1.00 C ATOM 759 SD MET A 47 4.681 4.204 8.198 1.00 1.00 S ATOM 760 CE MET A 47 4.839 3.002 6.857 1.00 1.00 C ATOM 0 H MET A 47 5.374 0.409 10.519 1.00 1.00 H new ATOM 0 HA MET A 47 3.447 2.123 11.813 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.024 1.247 8.938 1.00 1.00 H new ATOM 0 HB3 MET A 47 2.760 2.388 9.350 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.604 3.754 10.549 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.755 2.714 9.735 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.916 3.527 5.905 1.00 1.00 H new ATOM 0 HE2 MET A 47 5.734 2.399 7.012 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.963 2.354 6.844 1.00 1.00 H new ATOM 770 N ASP A 48 1.186 1.027 11.100 1.00 1.00 N ATOM 771 CA ASP A 48 -0.127 0.385 11.018 1.00 1.00 C ATOM 772 C ASP A 48 -0.775 0.871 9.728 1.00 1.00 C ATOM 773 O ASP A 48 -0.094 1.319 8.804 1.00 1.00 O ATOM 774 CB ASP A 48 -1.022 0.677 12.234 1.00 1.00 C ATOM 775 CG ASP A 48 -1.712 2.040 12.204 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.017 3.074 12.148 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.963 2.035 12.156 1.00 1.00 O ATOM 0 H ASP A 48 1.106 2.041 11.177 1.00 1.00 H new ATOM 0 HA ASP A 48 -0.001 -0.698 11.018 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.784 -0.100 12.303 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.417 0.611 13.138 1.00 1.00 H new ATOM 782 N ALA A 49 -2.088 0.725 9.641 1.00 1.00 N ATOM 783 CA ALA A 49 -2.871 1.222 8.523 1.00 1.00 C ATOM 784 C ALA A 49 -2.855 2.750 8.447 1.00 1.00 C ATOM 785 O ALA A 49 -2.644 3.311 7.370 1.00 1.00 O ATOM 786 CB ALA A 49 -4.308 0.706 8.664 1.00 1.00 C ATOM 0 H ALA A 49 -2.645 0.253 10.353 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.429 0.857 7.596 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.909 1.071 7.831 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.305 -0.384 8.659 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.733 1.064 9.602 1.00 1.00 H new ATOM 792 N LEU A 50 -3.085 3.417 9.574 1.00 1.00 N ATOM 793 CA LEU A 50 -3.202 4.865 9.672 1.00 1.00 C ATOM 794 C LEU A 50 -1.843 5.522 9.436 1.00 1.00 C ATOM 795 O LEU A 50 -1.721 6.406 8.582 1.00 1.00 O ATOM 796 CB LEU A 50 -3.820 5.173 11.038 1.00 1.00 C ATOM 797 CG LEU A 50 -4.259 6.627 11.250 1.00 1.00 C ATOM 798 CD1 LEU A 50 -5.382 7.036 10.286 1.00 1.00 C ATOM 799 CD2 LEU A 50 -4.780 6.739 12.686 1.00 1.00 C ATOM 0 H LEU A 50 -3.198 2.948 10.472 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.852 5.282 8.902 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.685 4.526 11.180 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.097 4.913 11.811 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.410 7.285 11.065 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.661 8.073 10.472 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.035 6.932 9.258 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -6.248 6.393 10.443 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -5.103 7.762 12.877 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -5.623 6.061 12.821 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.985 6.474 13.383 1.00 1.00 H new ATOM 811 N ASP A 51 -0.808 5.039 10.134 1.00 1.00 N ATOM 812 CA ASP A 51 0.562 5.493 9.923 1.00 1.00 C ATOM 813 C ASP A 51 0.968 5.246 8.487 1.00 1.00 C ATOM 814 O ASP A 51 1.574 6.139 7.899 1.00 1.00 O ATOM 815 CB ASP A 51 1.613 4.794 10.804 1.00 1.00 C ATOM 816 CG ASP A 51 1.786 5.306 12.225 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.041 6.202 12.682 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.788 4.915 12.863 1.00 1.00 O ATOM 0 H ASP A 51 -0.901 4.326 10.857 1.00 1.00 H new ATOM 0 HA ASP A 51 0.548 6.550 10.188 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.359 3.735 10.856 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.577 4.866 10.300 1.00 1.00 H new ATOM 823 N LEU A 52 0.660 4.067 7.916 1.00 1.00 N ATOM 824 CA LEU A 52 1.017 3.845 6.528 1.00 1.00 C ATOM 825 C LEU A 52 0.330 4.889 5.677 1.00 1.00 C ATOM 826 O LEU A 52 1.016 5.485 4.870 1.00 1.00 O ATOM 827 CB LEU A 52 0.669 2.434 6.036 1.00 1.00 C ATOM 828 CG LEU A 52 0.911 2.292 4.509 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.957 1.222 4.212 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.380 2.014 3.732 1.00 1.00 C ATOM 0 H LEU A 52 0.186 3.292 8.380 1.00 1.00 H new ATOM 0 HA LEU A 52 2.100 3.934 6.442 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.272 1.701 6.571 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.374 2.215 6.263 1.00 1.00 H new ATOM 0 HG LEU A 52 1.291 3.254 4.166 1.00 1.00 H new ATOM 0 HD11 LEU A 52 2.104 1.146 3.135 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.899 1.492 4.689 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.616 0.262 4.600 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.153 1.924 2.670 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.826 1.085 4.088 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.081 2.835 3.885 1.00 1.00 H new ATOM 842 N THR A 53 -0.968 5.113 5.829 1.00 1.00 N ATOM 843 CA THR A 53 -1.699 6.040 4.991 1.00 1.00 C ATOM 844 C THR A 53 -1.005 7.398 4.951 1.00 1.00 C ATOM 845 O THR A 53 -0.620 7.848 3.867 1.00 1.00 O ATOM 846 CB THR A 53 -3.142 6.116 5.497 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.722 4.835 5.378 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.952 7.134 4.703 1.00 1.00 C ATOM 0 H THR A 53 -1.540 4.655 6.538 1.00 1.00 H new ATOM 0 HA THR A 53 -1.719 5.690 3.959 1.00 1.00 H new ATOM 0 HB THR A 53 -3.142 6.438 6.538 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.463 4.286 6.147 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.972 7.165 5.085 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.497 8.119 4.803 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.967 6.847 3.652 1.00 1.00 H new ATOM 856 N ASP A 54 -0.815 8.034 6.108 1.00 1.00 N ATOM 857 CA ASP A 54 -0.159 9.343 6.127 1.00 1.00 C ATOM 858 C ASP A 54 1.275 9.293 5.616 1.00 1.00 C ATOM 859 O ASP A 54 1.668 10.150 4.818 1.00 1.00 O ATOM 860 CB ASP A 54 -0.272 10.054 7.480 1.00 1.00 C ATOM 861 CG ASP A 54 -1.616 10.773 7.637 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.699 10.204 7.378 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.595 11.976 7.996 1.00 1.00 O ATOM 0 H ASP A 54 -1.097 7.677 7.021 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.715 9.957 5.419 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -0.153 9.327 8.283 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.539 10.775 7.580 1.00 1.00 H new ATOM 868 N LYS A 55 2.049 8.280 6.021 1.00 1.00 N ATOM 869 CA LYS A 55 3.419 8.112 5.554 1.00 1.00 C ATOM 870 C LYS A 55 3.429 8.010 4.042 1.00 1.00 C ATOM 871 O LYS A 55 4.020 8.853 3.394 1.00 1.00 O ATOM 872 CB LYS A 55 4.068 6.868 6.181 1.00 1.00 C ATOM 873 CG LYS A 55 5.564 6.715 5.831 1.00 1.00 C ATOM 874 CD LYS A 55 6.533 7.168 6.930 1.00 1.00 C ATOM 875 CE LYS A 55 6.910 8.651 6.946 1.00 1.00 C ATOM 876 NZ LYS A 55 5.847 9.540 7.455 1.00 1.00 N ATOM 0 H LYS A 55 1.741 7.562 6.677 1.00 1.00 H new ATOM 0 HA LYS A 55 4.002 8.980 5.861 1.00 1.00 H new ATOM 0 HB2 LYS A 55 3.959 6.917 7.264 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.532 5.980 5.847 1.00 1.00 H new ATOM 0 HG2 LYS A 55 5.763 5.669 5.600 1.00 1.00 H new ATOM 0 HG3 LYS A 55 5.771 7.286 4.926 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.093 6.918 7.896 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.449 6.585 6.837 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.802 8.781 7.559 1.00 1.00 H new ATOM 0 HE3 LYS A 55 7.172 8.959 5.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.571 10.212 6.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.021 8.971 7.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 6.199 10.064 8.282 1.00 1.00 H new ATOM 890 N LEU A 56 2.806 6.978 3.489 1.00 1.00 N ATOM 891 CA LEU A 56 2.752 6.594 2.091 1.00 1.00 C ATOM 892 C LEU A 56 2.350 7.799 1.247 1.00 1.00 C ATOM 893 O LEU A 56 3.060 8.141 0.304 1.00 1.00 O ATOM 894 CB LEU A 56 1.799 5.382 2.027 1.00 1.00 C ATOM 895 CG LEU A 56 1.512 4.650 0.715 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.808 5.542 -0.289 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.735 3.988 0.079 1.00 1.00 C ATOM 0 H LEU A 56 2.275 6.327 4.068 1.00 1.00 H new ATOM 0 HA LEU A 56 3.711 6.288 1.672 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.187 4.639 2.724 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.838 5.716 2.419 1.00 1.00 H new ATOM 0 HG LEU A 56 0.842 3.838 0.997 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.623 4.983 -1.206 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.141 5.880 0.127 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.435 6.406 -0.511 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.441 3.493 -0.846 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.487 4.746 -0.139 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.150 3.253 0.768 1.00 1.00 H new ATOM 909 N VAL A 57 1.262 8.478 1.602 1.00 1.00 N ATOM 910 CA VAL A 57 0.785 9.636 0.860 1.00 1.00 C ATOM 911 C VAL A 57 1.827 10.763 0.866 1.00 1.00 C ATOM 912 O VAL A 57 2.077 11.360 -0.184 1.00 1.00 O ATOM 913 CB VAL A 57 -0.580 10.054 1.438 1.00 1.00 C ATOM 914 CG1 VAL A 57 -1.015 11.432 0.928 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.644 9.005 1.063 1.00 1.00 C ATOM 0 H VAL A 57 0.689 8.239 2.411 1.00 1.00 H new ATOM 0 HA VAL A 57 0.643 9.387 -0.192 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.479 10.114 2.522 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.982 11.691 1.359 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.276 12.178 1.221 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.096 11.409 -0.159 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.609 9.303 1.473 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.717 8.933 -0.022 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.359 8.036 1.472 1.00 1.00 H new ATOM 925 N SER A 58 2.432 11.081 2.011 1.00 1.00 N ATOM 926 CA SER A 58 3.365 12.199 2.122 1.00 1.00 C ATOM 927 C SER A 58 4.752 11.843 1.554 1.00 1.00 C ATOM 928 O SER A 58 5.476 12.706 1.055 1.00 1.00 O ATOM 929 CB SER A 58 3.426 12.558 3.611 1.00 1.00 C ATOM 930 OG SER A 58 3.891 13.871 3.840 1.00 1.00 O ATOM 0 H SER A 58 2.289 10.572 2.883 1.00 1.00 H new ATOM 0 HA SER A 58 3.028 13.052 1.533 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.433 12.448 4.047 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.079 11.852 4.124 1.00 1.00 H new ATOM 0 HG SER A 58 3.909 14.048 4.804 1.00 1.00 H new ATOM 936 N PHE A 59 5.135 10.571 1.631 1.00 1.00 N ATOM 937 CA PHE A 59 6.386 9.994 1.165 1.00 1.00 C ATOM 938 C PHE A 59 6.379 9.921 -0.361 1.00 1.00 C ATOM 939 O PHE A 59 7.430 10.120 -0.972 1.00 1.00 O ATOM 940 CB PHE A 59 6.534 8.608 1.820 1.00 1.00 C ATOM 941 CG PHE A 59 7.836 7.857 1.634 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.126 7.233 0.411 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.710 7.676 2.725 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.279 6.446 0.274 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.877 6.902 2.586 1.00 1.00 C ATOM 946 CZ PHE A 59 10.159 6.281 1.359 1.00 1.00 C ATOM 0 H PHE A 59 4.531 9.866 2.053 1.00 1.00 H new ATOM 0 HA PHE A 59 7.242 10.607 1.447 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.371 8.728 2.891 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.730 7.976 1.444 1.00 1.00 H new ATOM 0 HD1 PHE A 59 7.458 7.359 -0.429 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.482 8.135 3.676 1.00 1.00 H new ATOM 0 HE1 PHE A 59 9.492 5.964 -0.669 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.553 6.786 3.420 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.049 5.679 1.248 1.00 1.00 H new ATOM 956 N TYR A 60 5.220 9.676 -0.984 1.00 1.00 N ATOM 957 CA TYR A 60 5.089 9.671 -2.431 1.00 1.00 C ATOM 958 C TYR A 60 4.255 10.875 -2.854 1.00 1.00 C ATOM 959 O TYR A 60 4.780 11.987 -2.898 1.00 1.00 O ATOM 960 CB TYR A 60 4.457 8.329 -2.852 1.00 1.00 C ATOM 961 CG TYR A 60 5.369 7.144 -2.649 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.443 6.928 -3.530 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.158 6.274 -1.567 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.291 5.829 -3.338 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.009 5.178 -1.361 1.00 1.00 C ATOM 966 CZ TYR A 60 7.074 4.949 -2.253 1.00 1.00 C ATOM 967 OH TYR A 60 7.896 3.890 -2.049 1.00 1.00 O ATOM 0 H TYR A 60 4.350 9.476 -0.491 1.00 1.00 H new ATOM 0 HA TYR A 60 6.055 9.757 -2.928 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.540 8.174 -2.283 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.174 8.384 -3.903 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.614 7.607 -4.352 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.336 6.450 -0.889 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.111 5.654 -4.019 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.848 4.515 -0.524 1.00 1.00 H new ATOM 0 HH TYR A 60 8.675 3.962 -2.639 1.00 1.00 H new ATOM 977 N LEU A 61 2.959 10.665 -3.067 1.00 1.00 N ATOM 978 CA LEU A 61 1.919 11.579 -3.502 1.00 1.00 C ATOM 979 C LEU A 61 0.612 10.911 -3.082 1.00 1.00 C ATOM 980 O LEU A 61 0.573 9.700 -2.860 1.00 1.00 O ATOM 981 CB LEU A 61 1.844 11.726 -5.038 1.00 1.00 C ATOM 982 CG LEU A 61 2.842 12.598 -5.820 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.096 13.925 -5.109 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.141 11.887 -6.216 1.00 1.00 C ATOM 0 H LEU A 61 2.571 9.733 -2.919 1.00 1.00 H new ATOM 0 HA LEU A 61 2.110 12.564 -3.077 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.910 10.721 -5.454 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.848 12.102 -5.270 1.00 1.00 H new ATOM 0 HG LEU A 61 2.356 12.813 -6.772 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.805 14.518 -5.687 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.158 14.472 -5.014 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.506 13.734 -4.117 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.782 12.578 -6.763 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.657 11.546 -5.319 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.909 11.030 -6.849 1.00 1.00 H new ATOM 996 N GLU A 62 -0.474 11.670 -3.073 1.00 1.00 N ATOM 997 CA GLU A 62 -1.821 11.182 -2.814 1.00 1.00 C ATOM 998 C GLU A 62 -2.170 10.203 -3.947 1.00 1.00 C ATOM 999 O GLU A 62 -2.466 9.028 -3.729 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.812 12.369 -2.759 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.409 13.557 -1.860 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.453 14.552 -2.529 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.215 14.346 -2.513 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -1.932 15.565 -3.081 1.00 1.00 O ATOM 0 H GLU A 62 -0.441 12.674 -3.251 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.884 10.673 -1.852 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.956 12.741 -3.773 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.777 11.994 -2.417 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.310 14.087 -1.551 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.940 13.171 -0.955 1.00 1.00 H new ATOM 1011 N THR A 63 -2.051 10.702 -5.175 1.00 1.00 N ATOM 1012 CA THR A 63 -2.334 10.054 -6.445 1.00 1.00 C ATOM 1013 C THR A 63 -1.467 8.801 -6.617 1.00 1.00 C ATOM 1014 O THR A 63 -2.002 7.694 -6.732 1.00 1.00 O ATOM 1015 CB THR A 63 -2.126 11.132 -7.530 1.00 1.00 C ATOM 1016 OG1 THR A 63 -2.783 12.316 -7.093 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.686 10.739 -8.893 1.00 1.00 C ATOM 0 H THR A 63 -1.724 11.658 -5.314 1.00 1.00 H new ATOM 0 HA THR A 63 -3.356 9.681 -6.512 1.00 1.00 H new ATOM 0 HB THR A 63 -1.053 11.270 -7.660 1.00 1.00 H new ATOM 0 HG1 THR A 63 -2.666 13.021 -7.763 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.505 11.543 -9.606 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.196 9.829 -9.239 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.759 10.564 -8.809 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.133 8.951 -6.572 1.00 1.00 N ATOM 1026 CA TYR A 64 0.773 7.809 -6.668 1.00 1.00 C ATOM 1027 C TYR A 64 0.534 6.830 -5.533 1.00 1.00 C ATOM 1028 O TYR A 64 0.654 5.627 -5.732 1.00 1.00 O ATOM 1029 CB TYR A 64 2.251 8.224 -6.637 1.00 1.00 C ATOM 1030 CG TYR A 64 3.148 7.076 -7.057 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.183 6.744 -8.418 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.869 6.292 -6.130 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.884 5.619 -8.860 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.583 5.159 -6.569 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.574 4.802 -7.938 1.00 1.00 C ATOM 1036 OH TYR A 64 5.201 3.673 -8.367 1.00 1.00 O ATOM 0 H TYR A 64 0.335 9.852 -6.470 1.00 1.00 H new ATOM 0 HA TYR A 64 0.560 7.340 -7.629 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.408 9.074 -7.301 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.519 8.551 -5.632 1.00 1.00 H new ATOM 0 HD1 TYR A 64 2.663 7.364 -9.133 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.873 6.561 -5.084 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.898 5.373 -9.912 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.138 4.563 -5.860 1.00 1.00 H new ATOM 0 HH TYR A 64 5.966 3.483 -7.785 1.00 1.00 H new ATOM 1046 N GLY A 65 0.196 7.327 -4.345 1.00 1.00 N ATOM 1047 CA GLY A 65 0.009 6.492 -3.187 1.00 1.00 C ATOM 1048 C GLY A 65 -1.110 5.478 -3.420 1.00 1.00 C ATOM 1049 O GLY A 65 -0.971 4.306 -3.063 1.00 1.00 O ATOM 0 H GLY A 65 0.047 8.321 -4.170 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.937 5.969 -2.957 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.230 7.111 -2.322 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.204 5.909 -4.055 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.295 5.015 -4.406 1.00 1.00 C ATOM 1055 C ALA A 66 -2.834 3.962 -5.418 1.00 1.00 C ATOM 1056 O ALA A 66 -3.191 2.793 -5.277 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.500 5.822 -4.906 1.00 1.00 C ATOM 0 H ALA A 66 -2.351 6.879 -4.335 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.613 4.473 -3.515 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.311 5.142 -5.166 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.834 6.501 -4.122 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.213 6.397 -5.786 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.019 4.359 -6.403 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.482 3.422 -7.398 1.00 1.00 C ATOM 1065 C GLU A 67 -0.575 2.397 -6.723 1.00 1.00 C ATOM 1066 O GLU A 67 -0.764 1.200 -6.917 1.00 1.00 O ATOM 1067 CB GLU A 67 -0.726 4.112 -8.551 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.666 3.144 -9.754 1.00 1.00 C ATOM 1069 CD GLU A 67 0.467 3.435 -10.741 1.00 1.00 C ATOM 1070 OE1 GLU A 67 1.643 3.158 -10.432 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.192 3.895 -11.880 1.00 1.00 O ATOM 0 H GLU A 67 -1.716 5.324 -6.532 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.344 2.926 -7.844 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.231 5.036 -8.834 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.281 4.383 -8.234 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.554 2.126 -9.381 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.616 3.186 -10.287 1.00 1.00 H new ATOM 1078 N LEU A 68 0.384 2.852 -5.912 1.00 1.00 N ATOM 1079 CA LEU A 68 1.277 2.007 -5.133 1.00 1.00 C ATOM 1080 C LEU A 68 0.458 0.981 -4.370 1.00 1.00 C ATOM 1081 O LEU A 68 0.740 -0.213 -4.453 1.00 1.00 O ATOM 1082 CB LEU A 68 2.143 2.866 -4.197 1.00 1.00 C ATOM 1083 CG LEU A 68 3.080 2.005 -3.329 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.305 2.839 -2.939 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.357 1.447 -2.091 1.00 1.00 C ATOM 0 H LEU A 68 0.561 3.848 -5.779 1.00 1.00 H new ATOM 0 HA LEU A 68 1.957 1.473 -5.797 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.736 3.563 -4.789 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.498 3.463 -3.552 1.00 1.00 H new ATOM 0 HG LEU A 68 3.406 1.141 -3.908 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.974 2.237 -2.324 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.829 3.159 -3.840 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.984 3.715 -2.376 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.051 0.845 -1.505 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.988 2.272 -1.482 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.518 0.827 -2.408 1.00 1.00 H new ATOM 1097 N THR A 69 -0.538 1.442 -3.622 1.00 1.00 N ATOM 1098 CA THR A 69 -1.336 0.580 -2.778 1.00 1.00 C ATOM 1099 C THR A 69 -2.010 -0.484 -3.652 1.00 1.00 C ATOM 1100 O THR A 69 -1.777 -1.672 -3.423 1.00 1.00 O ATOM 1101 CB THR A 69 -2.276 1.451 -1.932 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.496 2.385 -1.210 1.00 1.00 O ATOM 1103 CG2 THR A 69 -3.084 0.641 -0.918 1.00 1.00 C ATOM 0 H THR A 69 -0.810 2.425 -3.588 1.00 1.00 H new ATOM 0 HA THR A 69 -0.739 0.020 -2.058 1.00 1.00 H new ATOM 0 HB THR A 69 -2.974 1.932 -2.617 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.356 3.186 -1.757 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.730 1.310 -0.350 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.695 -0.094 -1.443 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.404 0.128 -0.237 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.751 -0.100 -4.700 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.393 -1.056 -5.598 1.00 1.00 C ATOM 1113 C ALA A 70 -2.374 -2.005 -6.242 1.00 1.00 C ATOM 1114 O ALA A 70 -2.680 -3.174 -6.429 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.111 -0.306 -6.728 1.00 1.00 C ATOM 0 H ALA A 70 -2.919 0.876 -4.944 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.096 -1.636 -5.000 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.588 -1.024 -7.395 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.868 0.354 -6.303 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.388 0.286 -7.289 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.174 -1.531 -6.588 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.115 -2.305 -7.239 1.00 1.00 C ATOM 1123 C ASN A 71 0.323 -3.466 -6.365 1.00 1.00 C ATOM 1124 O ASN A 71 0.380 -4.616 -6.795 1.00 1.00 O ATOM 1125 CB ASN A 71 1.110 -1.415 -7.483 1.00 1.00 C ATOM 1126 CG ASN A 71 2.201 -2.160 -8.233 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.211 -2.215 -9.458 1.00 1.00 O ATOM 1128 ND2 ASN A 71 3.153 -2.739 -7.514 1.00 1.00 N ATOM 0 H ASN A 71 -0.904 -0.563 -6.416 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.513 -2.681 -8.181 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.813 -0.534 -8.052 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.500 -1.062 -6.528 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.910 -3.240 -7.979 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.129 -2.683 -6.496 1.00 1.00 H new ATOM 1135 N VAL A 72 0.721 -3.121 -5.147 1.00 1.00 N ATOM 1136 CA VAL A 72 1.147 -4.078 -4.128 1.00 1.00 C ATOM 1137 C VAL A 72 0.005 -5.073 -3.871 1.00 1.00 C ATOM 1138 O VAL A 72 0.217 -6.283 -3.948 1.00 1.00 O ATOM 1139 CB VAL A 72 1.554 -3.320 -2.844 1.00 1.00 C ATOM 1140 CG1 VAL A 72 1.982 -4.278 -1.725 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.717 -2.334 -3.044 1.00 1.00 C ATOM 0 H VAL A 72 0.758 -2.152 -4.832 1.00 1.00 H new ATOM 0 HA VAL A 72 2.017 -4.639 -4.467 1.00 1.00 H new ATOM 0 HB VAL A 72 0.654 -2.768 -2.574 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.260 -3.704 -0.841 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.155 -4.944 -1.480 1.00 1.00 H new ATOM 0 HG13 VAL A 72 2.836 -4.868 -2.058 1.00 1.00 H new ATOM 0 HG21 VAL A 72 2.943 -1.842 -2.098 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.597 -2.875 -3.391 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.436 -1.585 -3.785 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.205 -4.569 -3.621 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.411 -5.364 -3.409 1.00 1.00 C ATOM 1153 C LEU A 73 -2.605 -6.349 -4.577 1.00 1.00 C ATOM 1154 O LEU A 73 -2.739 -7.552 -4.364 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.596 -4.391 -3.221 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.637 -3.635 -1.875 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.743 -2.579 -1.945 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.856 -4.460 -0.607 1.00 1.00 C ATOM 0 H LEU A 73 -1.375 -3.565 -3.559 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.334 -5.978 -2.512 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.571 -3.658 -4.027 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.524 -4.953 -3.329 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.631 -3.228 -1.770 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.787 -2.035 -1.002 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.530 -1.883 -2.756 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.701 -3.067 -2.127 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.862 -3.800 0.260 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.811 -4.982 -0.673 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -3.051 -5.188 -0.503 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.525 -5.870 -5.818 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.591 -6.690 -7.027 1.00 1.00 C ATOM 1172 C ARG A 74 -1.488 -7.741 -7.068 1.00 1.00 C ATOM 1173 O ARG A 74 -1.755 -8.857 -7.512 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.593 -5.784 -8.270 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.942 -6.530 -9.572 1.00 1.00 C ATOM 1176 CD ARG A 74 -1.908 -6.291 -10.681 1.00 1.00 C ATOM 1177 NE ARG A 74 -0.593 -6.879 -10.371 1.00 1.00 N ATOM 1178 CZ ARG A 74 -0.210 -8.155 -10.494 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -1.057 -9.094 -10.911 1.00 1.00 N ATOM 1180 NH2 ARG A 74 1.043 -8.476 -10.192 1.00 1.00 N ATOM 0 H ARG A 74 -2.410 -4.876 -6.015 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.526 -7.250 -7.017 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.309 -4.976 -8.120 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.611 -5.324 -8.376 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.011 -7.598 -9.368 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.924 -6.208 -9.919 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -2.279 -6.714 -11.615 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -1.793 -5.219 -10.840 1.00 1.00 H new ATOM 0 HE ARG A 74 0.113 -6.233 -10.019 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -2.019 -8.846 -11.144 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -0.744 -10.061 -10.998 1.00 1.00 H new ATOM 0 HH21 ARG A 74 1.691 -7.756 -9.874 1.00 1.00 H new ATOM 0 HH22 ARG A 74 1.357 -9.443 -10.278 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.266 -7.444 -6.611 1.00 1.00 N ATOM 1195 CA ASP A 75 0.783 -8.455 -6.554 1.00 1.00 C ATOM 1196 C ASP A 75 0.425 -9.554 -5.556 1.00 1.00 C ATOM 1197 O ASP A 75 0.722 -10.723 -5.797 1.00 1.00 O ATOM 1198 CB ASP A 75 2.136 -7.853 -6.185 1.00 1.00 C ATOM 1199 CG ASP A 75 3.220 -8.915 -6.412 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.544 -9.218 -7.585 1.00 1.00 O ATOM 1201 OD2 ASP A 75 3.782 -9.466 -5.444 1.00 1.00 O ATOM 0 H ASP A 75 0.014 -6.521 -6.280 1.00 1.00 H new ATOM 0 HA ASP A 75 0.862 -8.884 -7.553 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.337 -6.971 -6.793 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.135 -7.529 -5.144 1.00 1.00 H new ATOM 1206 N MET A 76 -0.254 -9.211 -4.454 1.00 1.00 N ATOM 1207 CA MET A 76 -0.740 -10.200 -3.488 1.00 1.00 C ATOM 1208 C MET A 76 -1.823 -11.113 -4.088 1.00 1.00 C ATOM 1209 O MET A 76 -2.096 -12.173 -3.520 1.00 1.00 O ATOM 1210 CB MET A 76 -1.263 -9.533 -2.203 1.00 1.00 C ATOM 1211 CG MET A 76 -0.237 -8.631 -1.505 1.00 1.00 C ATOM 1212 SD MET A 76 -0.979 -7.511 -0.291 1.00 1.00 S ATOM 1213 CE MET A 76 -1.162 -8.642 1.111 1.00 1.00 C ATOM 0 H MET A 76 -0.480 -8.247 -4.209 1.00 1.00 H new ATOM 0 HA MET A 76 0.118 -10.820 -3.230 1.00 1.00 H new ATOM 0 HB2 MET A 76 -2.145 -8.941 -2.447 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.582 -10.309 -1.507 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.506 -9.254 -1.008 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.291 -8.044 -2.256 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.954 -8.282 1.768 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.418 -9.636 0.745 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.224 -8.690 1.665 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.396 -10.765 -5.243 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.412 -11.534 -5.963 1.00 1.00 C ATOM 1225 C GLY A 77 -4.836 -11.022 -5.723 1.00 1.00 C ATOM 1226 O GLY A 77 -5.786 -11.532 -6.320 1.00 1.00 O ATOM 0 H GLY A 77 -2.152 -9.899 -5.723 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.195 -11.500 -7.031 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.352 -12.579 -5.658 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.983 -10.015 -4.870 1.00 1.00 N ATOM 1231 CA LEU A 78 -6.191 -9.281 -4.535 1.00 1.00 C ATOM 1232 C LEU A 78 -6.494 -8.383 -5.727 1.00 1.00 C ATOM 1233 O LEU A 78 -5.604 -7.681 -6.200 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.885 -8.502 -3.246 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.819 -7.359 -2.811 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.243 -6.847 -1.488 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.873 -6.180 -3.794 1.00 1.00 C ATOM 0 H LEU A 78 -4.182 -9.661 -4.348 1.00 1.00 H new ATOM 0 HA LEU A 78 -7.067 -9.904 -4.351 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.849 -9.223 -2.429 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.883 -8.085 -3.347 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.837 -7.745 -2.748 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.859 -6.028 -1.116 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -6.235 -7.656 -0.757 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.225 -6.492 -1.648 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.553 -5.419 -3.412 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.876 -5.753 -3.905 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.228 -6.530 -4.763 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.705 -8.439 -6.273 1.00 1.00 N ATOM 1250 CA GLN A 79 -8.084 -7.609 -7.422 1.00 1.00 C ATOM 1251 C GLN A 79 -9.305 -6.729 -7.137 1.00 1.00 C ATOM 1252 O GLN A 79 -9.442 -5.643 -7.709 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.234 -8.503 -8.664 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.194 -9.700 -8.531 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.674 -9.323 -8.537 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -11.114 -8.492 -9.331 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -11.488 -9.935 -7.698 1.00 1.00 N ATOM 0 H GLN A 79 -8.448 -9.053 -5.939 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.288 -6.893 -7.624 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.574 -7.882 -9.493 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.248 -8.883 -8.933 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -9.005 -10.395 -9.349 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.970 -10.229 -7.605 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -11.120 -10.623 -7.041 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -12.485 -9.720 -7.706 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.175 -7.180 -6.241 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.418 -6.543 -5.862 1.00 1.00 C ATOM 1268 C GLU A 80 -11.123 -5.187 -5.219 1.00 1.00 C ATOM 1269 O GLU A 80 -11.414 -4.144 -5.800 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.266 -7.505 -4.999 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.714 -8.065 -3.665 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.708 -9.229 -3.717 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -10.028 -9.455 -4.747 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.600 -9.953 -2.699 1.00 1.00 O ATOM 0 H GLU A 80 -10.017 -8.051 -5.734 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.032 -6.328 -6.737 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.200 -6.991 -4.769 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.518 -8.360 -5.626 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -11.241 -7.241 -3.130 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -12.564 -8.388 -3.064 1.00 1.00 H new ATOM 1281 N MET A 81 -10.454 -5.201 -4.069 1.00 1.00 N ATOM 1282 CA MET A 81 -10.022 -4.036 -3.322 1.00 1.00 C ATOM 1283 C MET A 81 -9.138 -3.139 -4.169 1.00 1.00 C ATOM 1284 O MET A 81 -9.316 -1.944 -4.073 1.00 1.00 O ATOM 1285 CB MET A 81 -9.453 -4.513 -1.986 1.00 1.00 C ATOM 1286 CG MET A 81 -8.775 -3.425 -1.165 1.00 1.00 C ATOM 1287 SD MET A 81 -9.296 -3.486 0.564 1.00 1.00 S ATOM 1288 CE MET A 81 -8.175 -4.753 1.195 1.00 1.00 C ATOM 0 H MET A 81 -10.188 -6.074 -3.614 1.00 1.00 H new ATOM 0 HA MET A 81 -10.851 -3.374 -3.071 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.260 -4.946 -1.396 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.733 -5.309 -2.175 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.693 -3.542 -1.225 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.014 -2.448 -1.585 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.366 -4.912 2.256 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.337 -5.685 0.653 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.144 -4.428 1.057 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.263 -3.640 -5.038 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.490 -2.785 -5.940 1.00 1.00 C ATOM 1300 C ALA A 82 -8.443 -1.929 -6.802 1.00 1.00 C ATOM 1301 O ALA A 82 -8.355 -0.696 -6.802 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.542 -3.642 -6.788 1.00 1.00 C ATOM 0 H ALA A 82 -8.070 -4.637 -5.138 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.874 -2.097 -5.361 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.970 -2.999 -7.457 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.859 -4.184 -6.134 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.122 -4.353 -7.376 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.407 -2.570 -7.474 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.381 -1.847 -8.285 1.00 1.00 C ATOM 1310 C GLY A 83 -11.248 -0.900 -7.449 1.00 1.00 C ATOM 1311 O GLY A 83 -11.555 0.217 -7.878 1.00 1.00 O ATOM 0 H GLY A 83 -9.529 -3.583 -7.470 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.858 -1.275 -9.052 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.022 -2.562 -8.801 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.701 -1.337 -6.275 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.565 -0.549 -5.401 1.00 1.00 C ATOM 1317 C GLN A 84 -11.817 0.648 -4.808 1.00 1.00 C ATOM 1318 O GLN A 84 -12.367 1.741 -4.757 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.123 -1.435 -4.288 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.160 -2.444 -4.795 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.676 -3.272 -3.629 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.161 -4.342 -3.310 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -15.673 -2.780 -2.922 1.00 1.00 N ATOM 0 H GLN A 84 -11.475 -2.259 -5.901 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.390 -0.159 -5.997 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.303 -1.972 -3.812 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.579 -0.806 -3.523 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.986 -1.921 -5.277 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -13.713 -3.094 -5.547 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.098 -1.892 -3.189 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.020 -3.287 -2.108 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.565 0.459 -4.403 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.629 1.456 -3.899 1.00 1.00 C ATOM 1334 C LEU A 85 -9.478 2.565 -4.930 1.00 1.00 C ATOM 1335 O LEU A 85 -9.574 3.749 -4.585 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.297 0.738 -3.642 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.128 1.601 -3.177 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.234 1.820 -1.682 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.832 0.833 -3.398 1.00 1.00 C ATOM 0 H LEU A 85 -10.146 -0.471 -4.421 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.980 1.913 -2.974 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.467 -0.035 -2.893 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -8.001 0.232 -4.561 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.143 2.544 -3.724 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.401 2.436 -1.345 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.173 2.323 -1.454 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.204 0.858 -1.170 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.989 1.440 -3.069 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.856 -0.094 -2.826 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.722 0.603 -4.458 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.269 2.184 -6.198 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.227 3.156 -7.279 1.00 1.00 C ATOM 1353 C GLN A 86 -10.545 3.928 -7.286 1.00 1.00 C ATOM 1354 O GLN A 86 -10.522 5.153 -7.213 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.978 2.471 -8.627 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.700 3.498 -9.737 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.685 2.828 -11.104 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -7.631 2.499 -11.642 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -9.842 2.630 -11.710 1.00 1.00 N ATOM 0 H GLN A 86 -9.129 1.217 -6.490 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.400 3.848 -7.119 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -8.132 1.790 -8.540 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.846 1.868 -8.896 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.463 4.277 -9.717 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.742 3.985 -9.556 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -10.711 2.907 -11.253 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -9.866 2.200 -12.634 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.687 3.232 -7.344 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.990 3.881 -7.455 1.00 1.00 C ATOM 1370 C ALA A 87 -13.378 4.726 -6.233 1.00 1.00 C ATOM 1371 O ALA A 87 -14.217 5.622 -6.344 1.00 1.00 O ATOM 1372 CB ALA A 87 -14.063 2.843 -7.767 1.00 1.00 C ATOM 0 H ALA A 87 -11.730 2.213 -7.315 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.911 4.591 -8.279 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -15.032 3.335 -7.848 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.827 2.348 -8.709 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -14.097 2.103 -6.967 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.818 4.444 -5.059 1.00 1.00 N ATOM 1379 CA ALA A 88 -13.024 5.249 -3.869 1.00 1.00 C ATOM 1380 C ALA A 88 -12.239 6.550 -4.063 1.00 1.00 C ATOM 1381 O ALA A 88 -12.784 7.640 -3.879 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.570 4.472 -2.631 1.00 1.00 C ATOM 0 H ALA A 88 -12.204 3.643 -4.911 1.00 1.00 H new ATOM 0 HA ALA A 88 -14.077 5.485 -3.717 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.727 5.081 -1.741 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.148 3.552 -2.547 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.511 4.229 -2.722 1.00 1.00 H new ATOM 1388 N THR A 89 -10.984 6.445 -4.508 1.00 1.00 N ATOM 1389 CA THR A 89 -10.145 7.591 -4.830 1.00 1.00 C ATOM 1390 C THR A 89 -10.815 8.480 -5.883 1.00 1.00 C ATOM 1391 O THR A 89 -11.067 9.666 -5.655 1.00 1.00 O ATOM 1392 CB THR A 89 -8.733 7.116 -5.227 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.214 6.223 -4.260 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.775 8.307 -5.337 1.00 1.00 C ATOM 0 H THR A 89 -10.521 5.548 -4.655 1.00 1.00 H new ATOM 0 HA THR A 89 -10.026 8.219 -3.947 1.00 1.00 H new ATOM 0 HB THR A 89 -8.817 6.613 -6.190 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.580 5.327 -4.412 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.784 7.952 -5.618 1.00 1.00 H new ATOM 0 HG22 THR A 89 -8.141 8.999 -6.095 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.718 8.818 -4.376 1.00 1.00 H new