USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 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 34 TYR OH : rot 167:sc= 1.09 USER MOD Set 1.2: A 49 SER OG : rot -93:sc= 0.602 USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 0.0938 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.267 K(o=0.27,f=-3.7!) USER MOD Single : A 23 TYR OH : rot 30:sc= 0.263 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 108:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 130:sc= 0.796 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0771 K(o=-0.077,f=-0.98) USER MOD Single : A 73 SER OG : rot -20:sc= 0.0581 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0.665 (180deg=0.632) USER MOD Single : A 85 SER OG : rot -22:sc= 0.891 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 16 0.580 3.311 -0.199 1.00 0.00 N ATOM 2 CA PHE A 16 -0.076 2.091 0.257 1.00 0.00 C ATOM 3 C PHE A 16 0.731 1.410 1.356 1.00 0.00 C ATOM 4 O PHE A 16 0.192 0.633 2.143 1.00 0.00 O ATOM 5 CB PHE A 16 -0.287 1.129 -0.914 1.00 0.00 C ATOM 6 CG PHE A 16 0.965 0.836 -1.691 1.00 0.00 C ATOM 7 CD1 PHE A 16 1.791 -0.219 -1.332 1.00 0.00 C ATOM 8 CD2 PHE A 16 1.319 1.615 -2.782 1.00 0.00 C ATOM 9 CE1 PHE A 16 2.942 -0.489 -2.047 1.00 0.00 C ATOM 10 CE2 PHE A 16 2.469 1.347 -3.500 1.00 0.00 C ATOM 11 CZ PHE A 16 3.281 0.294 -3.131 1.00 0.00 C ATOM 0 HA PHE A 16 -1.047 2.367 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.695 0.193 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.032 1.551 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.532 -0.836 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.688 2.441 -3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.577 -1.313 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.732 1.961 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.181 0.083 -3.690 1.00 0.00 H new ATOM 21 N LYS A 17 2.025 1.707 1.402 1.00 0.00 N ATOM 22 CA LYS A 17 2.905 1.140 2.417 1.00 0.00 C ATOM 23 C LYS A 17 2.502 1.597 3.813 1.00 0.00 C ATOM 24 O LYS A 17 2.217 2.775 4.033 1.00 0.00 O ATOM 25 CB LYS A 17 4.360 1.521 2.139 1.00 0.00 C ATOM 26 CG LYS A 17 4.943 0.899 0.878 1.00 0.00 C ATOM 27 CD LYS A 17 6.397 1.304 0.681 1.00 0.00 C ATOM 28 CE LYS A 17 6.967 0.718 -0.601 1.00 0.00 C ATOM 29 NZ LYS A 17 8.388 1.109 -0.809 1.00 0.00 N ATOM 0 H LYS A 17 2.488 2.338 0.748 1.00 0.00 H new ATOM 0 HA LYS A 17 2.809 0.055 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.430 2.606 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.970 1.223 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.871 -0.187 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.357 1.209 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.473 2.391 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.989 0.966 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.891 -0.369 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.371 1.053 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.488 1.574 -1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.681 1.766 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.989 0.261 -0.781 1.00 0.00 H new ATOM 43 N SER A 18 2.479 0.659 4.754 1.00 0.00 N ATOM 44 CA SER A 18 2.124 0.967 6.135 1.00 0.00 C ATOM 45 C SER A 18 0.624 1.186 6.283 1.00 0.00 C ATOM 46 O SER A 18 -0.074 0.373 6.889 1.00 0.00 O ATOM 47 CB SER A 18 2.884 2.191 6.608 1.00 0.00 C ATOM 48 OG SER A 18 2.775 2.375 7.994 1.00 0.00 O ATOM 0 H SER A 18 2.702 -0.322 4.585 1.00 0.00 H new ATOM 0 HA SER A 18 2.401 0.114 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.935 2.092 6.337 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.504 3.074 6.094 1.00 0.00 H new ATOM 0 HG SER A 18 3.280 3.172 8.259 1.00 0.00 H new ATOM 54 N ARG A 19 0.134 2.286 5.724 1.00 0.00 N ATOM 55 CA ARG A 19 -1.258 2.684 5.906 1.00 0.00 C ATOM 56 C ARG A 19 -2.208 1.631 5.349 1.00 0.00 C ATOM 57 O ARG A 19 -2.901 0.947 6.103 1.00 0.00 O ATOM 58 CB ARG A 19 -1.544 4.059 5.320 1.00 0.00 C ATOM 59 CG ARG A 19 -2.957 4.570 5.550 1.00 0.00 C ATOM 60 CD ARG A 19 -3.208 5.934 5.019 1.00 0.00 C ATOM 61 NE ARG A 19 -4.537 6.455 5.300 1.00 0.00 N ATOM 62 CZ ARG A 19 -5.018 7.620 4.823 1.00 0.00 C ATOM 63 NH1 ARG A 19 -4.276 8.404 4.073 1.00 0.00 N ATOM 64 NH2 ARG A 19 -6.252 7.965 5.148 1.00 0.00 N ATOM 0 H ARG A 19 0.680 2.919 5.140 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.433 2.758 6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.841 4.774 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.354 4.028 4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.661 3.878 5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.162 4.566 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.468 6.616 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.056 5.924 3.940 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.147 5.900 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.320 8.134 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.657 9.282 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.812 7.355 5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.644 8.841 4.803 1.00 0.00 H new ATOM 78 N LEU A 20 -2.236 1.507 4.028 1.00 0.00 N ATOM 79 CA LEU A 20 -3.195 0.634 3.360 1.00 0.00 C ATOM 80 C LEU A 20 -2.875 -0.834 3.618 1.00 0.00 C ATOM 81 O LEU A 20 -3.766 -1.683 3.612 1.00 0.00 O ATOM 82 CB LEU A 20 -3.213 0.921 1.854 1.00 0.00 C ATOM 83 CG LEU A 20 -3.775 2.291 1.457 1.00 0.00 C ATOM 84 CD1 LEU A 20 -3.796 2.428 -0.059 1.00 0.00 C ATOM 85 CD2 LEU A 20 -5.174 2.454 2.032 1.00 0.00 C ATOM 0 H LEU A 20 -1.605 2.000 3.397 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.184 0.839 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.195 0.839 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.801 0.148 1.360 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.136 3.076 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.197 3.405 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.782 2.331 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.424 1.646 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.572 3.428 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.822 1.670 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.131 2.381 3.119 1.00 0.00 H new ATOM 97 N GLN A 21 -1.599 -1.125 3.843 1.00 0.00 N ATOM 98 CA GLN A 21 -1.180 -2.453 4.273 1.00 0.00 C ATOM 99 C GLN A 21 -1.796 -2.816 5.618 1.00 0.00 C ATOM 100 O GLN A 21 -2.281 -3.930 5.810 1.00 0.00 O ATOM 101 CB GLN A 21 0.346 -2.531 4.366 1.00 0.00 C ATOM 102 CG GLN A 21 1.046 -2.643 3.022 1.00 0.00 C ATOM 103 CD GLN A 21 2.554 -2.526 3.143 1.00 0.00 C ATOM 104 OE1 GLN A 21 3.083 -2.229 4.218 1.00 0.00 O ATOM 105 NE2 GLN A 21 3.254 -2.754 2.039 1.00 0.00 N ATOM 0 H GLN A 21 -0.835 -0.457 3.734 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.530 -3.167 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.713 -1.644 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.618 -3.391 4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.794 -3.599 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.676 -1.863 2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.774 -2.997 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.272 -2.686 2.057 1.00 0.00 H new ATOM 114 N GLU A 22 -1.773 -1.866 6.548 1.00 0.00 N ATOM 115 CA GLU A 22 -2.379 -2.064 7.860 1.00 0.00 C ATOM 116 C GLU A 22 -3.891 -2.219 7.750 1.00 0.00 C ATOM 117 O GLU A 22 -4.497 -3.013 8.469 1.00 0.00 O ATOM 118 CB GLU A 22 -2.036 -0.896 8.789 1.00 0.00 C ATOM 119 CG GLU A 22 -2.601 -1.028 10.197 1.00 0.00 C ATOM 120 CD GLU A 22 -2.156 0.110 11.072 1.00 0.00 C ATOM 121 OE1 GLU A 22 -1.410 0.937 10.605 1.00 0.00 O ATOM 122 OE2 GLU A 22 -2.649 0.217 12.170 1.00 0.00 O ATOM 0 H GLU A 22 -1.341 -0.951 6.417 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.972 -2.983 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.952 -0.804 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.409 0.027 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.690 -1.052 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.278 -1.973 10.634 1.00 0.00 H new ATOM 129 N TYR A 23 -4.493 -1.455 6.845 1.00 0.00 N ATOM 130 CA TYR A 23 -5.923 -1.570 6.576 1.00 0.00 C ATOM 131 C TYR A 23 -6.276 -2.958 6.057 1.00 0.00 C ATOM 132 O TYR A 23 -7.269 -3.553 6.476 1.00 0.00 O ATOM 133 CB TYR A 23 -6.365 -0.505 5.571 1.00 0.00 C ATOM 134 CG TYR A 23 -6.257 0.911 6.089 1.00 0.00 C ATOM 135 CD1 TYR A 23 -5.816 1.166 7.380 1.00 0.00 C ATOM 136 CD2 TYR A 23 -6.595 1.990 5.286 1.00 0.00 C ATOM 137 CE1 TYR A 23 -5.716 2.458 7.859 1.00 0.00 C ATOM 138 CE2 TYR A 23 -6.498 3.286 5.755 1.00 0.00 C ATOM 139 CZ TYR A 23 -6.059 3.517 7.043 1.00 0.00 C ATOM 140 OH TYR A 23 -5.959 4.805 7.514 1.00 0.00 O ATOM 0 H TYR A 23 -4.014 -0.750 6.285 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.453 -1.413 7.515 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.760 -0.598 4.669 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.399 -0.698 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.546 0.340 8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.940 1.814 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.371 2.638 8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.765 4.115 5.116 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.238 4.856 8.176 1.00 0.00 H new ATOM 150 N ALA A 24 -5.457 -3.469 5.144 1.00 0.00 N ATOM 151 CA ALA A 24 -5.640 -4.817 4.619 1.00 0.00 C ATOM 152 C ALA A 24 -5.671 -5.845 5.742 1.00 0.00 C ATOM 153 O ALA A 24 -6.471 -6.780 5.719 1.00 0.00 O ATOM 154 CB ALA A 24 -4.543 -5.150 3.621 1.00 0.00 C ATOM 0 H ALA A 24 -4.659 -2.969 4.752 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.601 -4.852 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.694 -6.159 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.575 -4.440 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.572 -5.090 4.114 1.00 0.00 H new ATOM 160 N GLN A 25 -4.796 -5.666 6.726 1.00 0.00 N ATOM 161 CA GLN A 25 -4.767 -6.539 7.894 1.00 0.00 C ATOM 162 C GLN A 25 -6.046 -6.411 8.710 1.00 0.00 C ATOM 163 O GLN A 25 -6.591 -7.404 9.190 1.00 0.00 O ATOM 164 CB GLN A 25 -3.558 -6.215 8.776 1.00 0.00 C ATOM 165 CG GLN A 25 -2.220 -6.584 8.156 1.00 0.00 C ATOM 166 CD GLN A 25 -1.046 -6.141 9.009 1.00 0.00 C ATOM 167 OE1 GLN A 25 -1.222 -5.482 10.038 1.00 0.00 O ATOM 168 NE2 GLN A 25 0.160 -6.495 8.582 1.00 0.00 N ATOM 0 H GLN A 25 -4.097 -4.923 6.738 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.686 -7.566 7.537 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.561 -5.148 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.663 -6.740 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.174 -7.664 8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.142 -6.128 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.258 -7.040 7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.989 -6.222 9.110 1.00 0.00 H new ATOM 177 N LYS A 26 -6.523 -5.179 8.864 1.00 0.00 N ATOM 178 CA LYS A 26 -7.788 -4.927 9.543 1.00 0.00 C ATOM 179 C LYS A 26 -8.956 -5.525 8.772 1.00 0.00 C ATOM 180 O LYS A 26 -9.998 -5.837 9.348 1.00 0.00 O ATOM 181 CB LYS A 26 -8.000 -3.425 9.739 1.00 0.00 C ATOM 182 CG LYS A 26 -7.041 -2.777 10.728 1.00 0.00 C ATOM 183 CD LYS A 26 -7.265 -1.275 10.814 1.00 0.00 C ATOM 184 CE LYS A 26 -6.344 -0.635 11.844 1.00 0.00 C ATOM 185 NZ LYS A 26 -6.547 0.837 11.933 1.00 0.00 N ATOM 0 H LYS A 26 -6.051 -4.340 8.527 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.744 -5.409 10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.899 -2.927 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.022 -3.256 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.175 -3.224 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.013 -2.977 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.091 -0.823 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.303 -1.075 11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.523 -1.086 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.307 -0.843 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.901 1.234 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.352 1.271 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.530 1.036 12.208 1.00 0.00 H new ATOM 199 N TYR A 27 -8.778 -5.681 7.464 1.00 0.00 N ATOM 200 CA TYR A 27 -9.814 -6.252 6.612 1.00 0.00 C ATOM 201 C TYR A 27 -9.669 -7.766 6.507 1.00 0.00 C ATOM 202 O TYR A 27 -10.356 -8.411 5.715 1.00 0.00 O ATOM 203 CB TYR A 27 -9.768 -5.623 5.218 1.00 0.00 C ATOM 204 CG TYR A 27 -9.961 -4.122 5.217 1.00 0.00 C ATOM 205 CD1 TYR A 27 -10.517 -3.474 6.310 1.00 0.00 C ATOM 206 CD2 TYR A 27 -9.585 -3.358 4.122 1.00 0.00 C ATOM 207 CE1 TYR A 27 -10.695 -2.105 6.314 1.00 0.00 C ATOM 208 CE2 TYR A 27 -9.758 -1.987 4.115 1.00 0.00 C ATOM 209 CZ TYR A 27 -10.314 -1.364 5.213 1.00 0.00 C ATOM 210 OH TYR A 27 -10.489 0.001 5.212 1.00 0.00 O ATOM 0 H TYR A 27 -7.924 -5.419 6.971 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.779 -6.032 7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.809 -5.857 4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.540 -6.079 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -10.816 -4.050 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.150 -3.843 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.130 -1.616 7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.460 -1.406 3.255 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.168 0.371 4.363 1.00 0.00 H new ATOM 220 N LYS A 28 -8.770 -8.326 7.308 1.00 0.00 N ATOM 221 CA LYS A 28 -8.512 -9.760 7.285 1.00 0.00 C ATOM 222 C LYS A 28 -8.115 -10.226 5.891 1.00 0.00 C ATOM 223 O LYS A 28 -8.516 -11.303 5.448 1.00 0.00 O ATOM 224 CB LYS A 28 -9.738 -10.534 7.770 1.00 0.00 C ATOM 225 CG LYS A 28 -10.185 -10.185 9.183 1.00 0.00 C ATOM 226 CD LYS A 28 -11.366 -11.040 9.618 1.00 0.00 C ATOM 227 CE LYS A 28 -11.860 -10.640 11.000 1.00 0.00 C ATOM 228 NZ LYS A 28 -13.033 -11.451 11.427 1.00 0.00 N ATOM 0 H LYS A 28 -8.207 -7.808 7.982 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.680 -9.959 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.565 -10.348 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.520 -11.601 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.355 -10.329 9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.460 -9.131 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.177 -10.938 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.075 -12.090 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.053 -10.760 11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.130 -9.584 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.339 -11.147 12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.812 -11.317 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.768 -12.456 11.455 1.00 0.00 H new ATOM 242 N LEU A 29 -7.328 -9.408 5.201 1.00 0.00 N ATOM 243 CA LEU A 29 -6.839 -9.755 3.871 1.00 0.00 C ATOM 244 C LEU A 29 -5.427 -10.322 3.933 1.00 0.00 C ATOM 245 O LEU A 29 -4.711 -10.126 4.917 1.00 0.00 O ATOM 246 CB LEU A 29 -6.881 -8.528 2.953 1.00 0.00 C ATOM 247 CG LEU A 29 -8.261 -7.876 2.797 1.00 0.00 C ATOM 248 CD1 LEU A 29 -8.155 -6.632 1.926 1.00 0.00 C ATOM 249 CD2 LEU A 29 -9.230 -8.879 2.189 1.00 0.00 C ATOM 0 H LEU A 29 -7.014 -8.499 5.541 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.492 -10.526 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.186 -7.782 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.521 -8.820 1.966 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.635 -7.576 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.140 -6.176 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.473 -5.920 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.776 -6.908 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.211 -8.416 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.864 -9.192 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.311 -9.748 2.842 1.00 0.00 H new ATOM 261 N PRO A 30 -5.029 -11.027 2.880 1.00 0.00 N ATOM 262 CA PRO A 30 -3.689 -11.597 2.800 1.00 0.00 C ATOM 263 C PRO A 30 -2.636 -10.506 2.652 1.00 0.00 C ATOM 264 O PRO A 30 -2.931 -9.401 2.202 1.00 0.00 O ATOM 265 CB PRO A 30 -3.747 -12.518 1.570 1.00 0.00 C ATOM 266 CG PRO A 30 -4.796 -11.913 0.680 1.00 0.00 C ATOM 267 CD PRO A 30 -5.881 -11.452 1.761 1.00 0.00 C ATOM 0 HA PRO A 30 -3.405 -12.141 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.781 -12.565 1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.009 -13.538 1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.411 -11.075 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.201 -12.634 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.506 -10.639 1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.549 -12.266 2.042 1.00 0.00 H new ATOM 275 N THR A 31 -1.403 -10.826 3.035 1.00 0.00 N ATOM 276 CA THR A 31 -0.307 -9.869 2.965 1.00 0.00 C ATOM 277 C THR A 31 -0.158 -9.305 1.557 1.00 0.00 C ATOM 278 O THR A 31 0.012 -10.050 0.594 1.00 0.00 O ATOM 279 CB THR A 31 1.028 -10.506 3.394 1.00 0.00 C ATOM 280 OG1 THR A 31 0.909 -11.017 4.728 1.00 0.00 O ATOM 281 CG2 THR A 31 2.149 -9.479 3.346 1.00 0.00 C ATOM 0 H THR A 31 -1.139 -11.742 3.397 1.00 0.00 H new ATOM 0 HA THR A 31 -0.552 -9.061 3.654 1.00 0.00 H new ATOM 0 HB THR A 31 1.264 -11.318 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.758 -11.424 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.085 -9.947 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.250 -9.098 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.917 -8.655 4.021 1.00 0.00 H new ATOM 289 N PRO A 32 -0.224 -7.982 1.446 1.00 0.00 N ATOM 290 CA PRO A 32 -0.122 -7.315 0.153 1.00 0.00 C ATOM 291 C PRO A 32 1.209 -7.623 -0.521 1.00 0.00 C ATOM 292 O PRO A 32 2.237 -7.755 0.145 1.00 0.00 O ATOM 293 CB PRO A 32 -0.271 -5.822 0.488 1.00 0.00 C ATOM 294 CG PRO A 32 -1.002 -5.789 1.801 1.00 0.00 C ATOM 295 CD PRO A 32 -0.342 -7.026 2.556 1.00 0.00 C ATOM 0 HA PRO A 32 -0.879 -7.649 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.702 -5.336 0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.829 -5.297 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.847 -4.851 2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.078 -5.910 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.625 -6.777 2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.970 -7.403 3.363 1.00 0.00 H new ATOM 303 N VAL A 33 1.185 -7.735 -1.844 1.00 0.00 N ATOM 304 CA VAL A 33 2.396 -7.996 -2.613 1.00 0.00 C ATOM 305 C VAL A 33 2.750 -6.811 -3.501 1.00 0.00 C ATOM 306 O VAL A 33 1.953 -6.389 -4.339 1.00 0.00 O ATOM 307 CB VAL A 33 2.249 -9.255 -3.489 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.510 -9.483 -4.309 1.00 0.00 C ATOM 309 CG2 VAL A 33 1.948 -10.471 -2.627 1.00 0.00 C ATOM 0 H VAL A 33 0.339 -7.649 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 33 3.197 -8.158 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 33 1.415 -9.103 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.389 -10.376 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.686 -8.622 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.360 -9.615 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.847 -11.351 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.762 -10.626 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.018 -10.309 -2.081 1.00 0.00 H new ATOM 319 N TYR A 34 3.952 -6.275 -3.314 1.00 0.00 N ATOM 320 CA TYR A 34 4.406 -5.122 -4.083 1.00 0.00 C ATOM 321 C TYR A 34 5.504 -5.514 -5.064 1.00 0.00 C ATOM 322 O TYR A 34 6.620 -5.842 -4.663 1.00 0.00 O ATOM 323 CB TYR A 34 4.907 -4.019 -3.148 1.00 0.00 C ATOM 324 CG TYR A 34 5.472 -2.815 -3.868 1.00 0.00 C ATOM 325 CD1 TYR A 34 5.078 -2.509 -5.163 1.00 0.00 C ATOM 326 CD2 TYR A 34 6.396 -1.986 -3.250 1.00 0.00 C ATOM 327 CE1 TYR A 34 5.591 -1.411 -5.826 1.00 0.00 C ATOM 328 CE2 TYR A 34 6.916 -0.886 -3.903 1.00 0.00 C ATOM 329 CZ TYR A 34 6.512 -0.600 -5.191 1.00 0.00 C ATOM 330 OH TYR A 34 7.025 0.495 -5.846 1.00 0.00 O ATOM 0 H TYR A 34 4.630 -6.622 -2.635 1.00 0.00 H new ATOM 0 HA TYR A 34 3.557 -4.745 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.084 -3.696 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.675 -4.432 -2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.357 -3.141 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.714 -2.204 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.274 -1.188 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.636 -0.252 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 34 7.491 1.071 -5.205 1.00 0.00 H new ATOM 340 N GLU A 35 5.179 -5.475 -6.352 1.00 0.00 N ATOM 341 CA GLU A 35 6.161 -5.743 -7.397 1.00 0.00 C ATOM 342 C GLU A 35 6.542 -4.466 -8.133 1.00 0.00 C ATOM 343 O GLU A 35 5.709 -3.581 -8.335 1.00 0.00 O ATOM 344 CB GLU A 35 5.621 -6.779 -8.385 1.00 0.00 C ATOM 345 CG GLU A 35 5.357 -8.149 -7.779 1.00 0.00 C ATOM 346 CD GLU A 35 4.893 -9.128 -8.821 1.00 0.00 C ATOM 347 OE1 GLU A 35 4.748 -8.736 -9.954 1.00 0.00 O ATOM 348 OE2 GLU A 35 4.793 -10.292 -8.511 1.00 0.00 O ATOM 0 H GLU A 35 4.244 -5.260 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 35 7.057 -6.142 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.694 -6.402 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.333 -6.888 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.266 -8.521 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.603 -8.063 -6.996 1.00 0.00 H new ATOM 355 N ILE A 36 7.805 -4.374 -8.534 1.00 0.00 N ATOM 356 CA ILE A 36 8.300 -3.203 -9.247 1.00 0.00 C ATOM 357 C ILE A 36 8.610 -3.533 -10.701 1.00 0.00 C ATOM 358 O ILE A 36 9.427 -4.409 -10.988 1.00 0.00 O ATOM 359 CB ILE A 36 9.564 -2.628 -8.581 1.00 0.00 C ATOM 360 CG1 ILE A 36 9.260 -2.193 -7.145 1.00 0.00 C ATOM 361 CG2 ILE A 36 10.108 -1.460 -9.390 1.00 0.00 C ATOM 362 CD1 ILE A 36 10.486 -1.809 -6.350 1.00 0.00 C ATOM 0 H ILE A 36 8.506 -5.098 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 36 7.508 -2.455 -9.209 1.00 0.00 H new ATOM 0 HB ILE A 36 10.325 -3.408 -8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.575 -1.346 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.745 -3.005 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.001 -1.066 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.361 -1.799 -10.395 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.353 -0.677 -9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.189 -1.513 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.164 -2.661 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.991 -0.976 -6.839 1.00 0.00 H new ATOM 374 N VAL A 37 7.953 -2.829 -11.616 1.00 0.00 N ATOM 375 CA VAL A 37 8.100 -3.098 -13.042 1.00 0.00 C ATOM 376 C VAL A 37 8.971 -2.046 -13.715 1.00 0.00 C ATOM 377 O VAL A 37 8.646 -0.859 -13.707 1.00 0.00 O ATOM 378 CB VAL A 37 6.732 -3.149 -13.750 1.00 0.00 C ATOM 379 CG1 VAL A 37 6.914 -3.387 -15.242 1.00 0.00 C ATOM 380 CG2 VAL A 37 5.856 -4.233 -13.141 1.00 0.00 C ATOM 0 H VAL A 37 7.312 -2.067 -11.395 1.00 0.00 H new ATOM 0 HA VAL A 37 8.581 -4.072 -13.130 1.00 0.00 H new ATOM 0 HB VAL A 37 6.236 -2.188 -13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.938 -3.420 -15.727 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.505 -2.577 -15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.430 -4.334 -15.399 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.894 -4.254 -13.654 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.346 -5.200 -13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.699 -4.022 -12.083 1.00 0.00 H new ATOM 390 N LYS A 38 10.081 -2.488 -14.298 1.00 0.00 N ATOM 391 CA LYS A 38 10.968 -1.596 -15.033 1.00 0.00 C ATOM 392 C LYS A 38 11.084 -2.013 -16.493 1.00 0.00 C ATOM 393 O LYS A 38 11.450 -3.148 -16.797 1.00 0.00 O ATOM 394 CB LYS A 38 12.353 -1.563 -14.384 1.00 0.00 C ATOM 395 CG LYS A 38 13.333 -0.601 -15.042 1.00 0.00 C ATOM 396 CD LYS A 38 14.687 -0.631 -14.347 1.00 0.00 C ATOM 397 CE LYS A 38 15.662 0.342 -14.993 1.00 0.00 C ATOM 398 NZ LYS A 38 16.958 0.399 -14.263 1.00 0.00 N ATOM 0 H LYS A 38 10.387 -3.461 -14.275 1.00 0.00 H new ATOM 0 HA LYS A 38 10.537 -0.596 -14.998 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.243 -1.289 -13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.776 -2.567 -14.408 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.455 -0.865 -16.093 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.929 0.411 -15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.563 -0.379 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.097 -1.640 -14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.841 0.044 -16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.217 1.337 -15.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.593 1.073 -14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.792 0.708 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.396 -0.544 -14.259 1.00 0.00 H new ATOM 412 N GLU A 39 10.769 -1.090 -17.394 1.00 0.00 N ATOM 413 CA GLU A 39 10.790 -1.376 -18.824 1.00 0.00 C ATOM 414 C GLU A 39 11.136 -0.130 -19.630 1.00 0.00 C ATOM 415 O GLU A 39 11.101 0.986 -19.112 1.00 0.00 O ATOM 416 CB GLU A 39 9.440 -1.936 -19.278 1.00 0.00 C ATOM 417 CG GLU A 39 8.268 -0.985 -19.088 1.00 0.00 C ATOM 418 CD GLU A 39 6.971 -1.627 -19.497 1.00 0.00 C ATOM 419 OE1 GLU A 39 7.001 -2.749 -19.943 1.00 0.00 O ATOM 420 OE2 GLU A 39 5.941 -1.042 -19.260 1.00 0.00 O ATOM 0 H GLU A 39 10.496 -0.136 -17.159 1.00 0.00 H new ATOM 0 HA GLU A 39 11.563 -2.124 -19.003 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.508 -2.203 -20.333 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.239 -2.855 -18.728 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.211 -0.679 -18.043 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.431 -0.082 -19.676 1.00 0.00 H new ATOM 427 N GLY A 40 11.471 -0.327 -20.900 1.00 0.00 N ATOM 428 CA GLY A 40 11.797 0.782 -21.788 1.00 0.00 C ATOM 429 C GLY A 40 13.296 0.862 -22.042 1.00 0.00 C ATOM 430 O GLY A 40 14.058 0.000 -21.602 1.00 0.00 O ATOM 0 H GLY A 40 11.524 -1.247 -21.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.271 0.660 -22.735 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.450 1.717 -21.349 1.00 0.00 H new ATOM 434 N PRO A 41 13.716 1.901 -22.757 1.00 0.00 N ATOM 435 CA PRO A 41 15.122 2.075 -23.102 1.00 0.00 C ATOM 436 C PRO A 41 15.963 2.356 -21.864 1.00 0.00 C ATOM 437 O PRO A 41 15.454 2.841 -20.853 1.00 0.00 O ATOM 438 CB PRO A 41 15.123 3.259 -24.083 1.00 0.00 C ATOM 439 CG PRO A 41 13.903 4.062 -23.724 1.00 0.00 C ATOM 440 CD PRO A 41 12.862 2.924 -23.373 1.00 0.00 C ATOM 0 HA PRO A 41 15.562 1.181 -23.543 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.031 3.854 -23.983 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.079 2.915 -25.117 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.084 4.726 -22.879 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.565 4.685 -24.552 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.090 3.276 -22.689 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.354 2.549 -24.261 1.00 0.00 H new ATOM 448 N SER A 42 17.253 2.048 -21.949 1.00 0.00 N ATOM 449 CA SER A 42 18.173 2.291 -20.844 1.00 0.00 C ATOM 450 C SER A 42 18.366 3.783 -20.607 1.00 0.00 C ATOM 451 O SER A 42 18.817 4.197 -19.538 1.00 0.00 O ATOM 452 CB SER A 42 19.505 1.622 -21.117 1.00 0.00 C ATOM 453 OG SER A 42 20.173 2.202 -22.204 1.00 0.00 O ATOM 0 H SER A 42 17.685 1.629 -22.773 1.00 0.00 H new ATOM 0 HA SER A 42 17.740 1.862 -19.940 1.00 0.00 H new ATOM 0 HB2 SER A 42 20.133 1.689 -20.228 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.344 0.562 -21.314 1.00 0.00 H new ATOM 0 HG SER A 42 21.027 1.743 -22.346 1.00 0.00 H new ATOM 459 N HIS A 43 18.025 4.586 -21.608 1.00 0.00 N ATOM 460 CA HIS A 43 18.157 6.035 -21.507 1.00 0.00 C ATOM 461 C HIS A 43 16.965 6.646 -20.783 1.00 0.00 C ATOM 462 O HIS A 43 17.129 7.483 -19.894 1.00 0.00 O ATOM 463 CB HIS A 43 18.303 6.662 -22.897 1.00 0.00 C ATOM 464 CG HIS A 43 19.552 6.251 -23.614 1.00 0.00 C ATOM 465 ND1 HIS A 43 20.810 6.632 -23.195 1.00 0.00 N ATOM 466 CD2 HIS A 43 19.736 5.494 -24.721 1.00 0.00 C ATOM 467 CE1 HIS A 43 21.715 6.125 -24.014 1.00 0.00 C ATOM 468 NE2 HIS A 43 21.088 5.432 -24.949 1.00 0.00 N ATOM 0 H HIS A 43 17.655 4.258 -22.500 1.00 0.00 H new ATOM 0 HA HIS A 43 19.056 6.246 -20.928 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.440 6.387 -23.503 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.291 7.748 -22.799 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.964 5.026 -25.314 1.00 0.00 H new ATOM 0 HE1 HIS A 43 22.784 6.255 -23.933 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.537 4.932 -25.716 1.00 0.00 H new ATOM 476 N LYS A 44 15.765 6.226 -21.168 1.00 0.00 N ATOM 477 CA LYS A 44 14.542 6.731 -20.554 1.00 0.00 C ATOM 478 C LYS A 44 13.579 5.597 -20.231 1.00 0.00 C ATOM 479 O LYS A 44 12.570 5.414 -20.911 1.00 0.00 O ATOM 480 CB LYS A 44 13.865 7.752 -21.470 1.00 0.00 C ATOM 481 CG LYS A 44 14.666 9.029 -21.689 1.00 0.00 C ATOM 482 CD LYS A 44 13.894 10.026 -22.540 1.00 0.00 C ATOM 483 CE LYS A 44 14.689 11.306 -22.752 1.00 0.00 C ATOM 484 NZ LYS A 44 13.947 12.291 -23.585 1.00 0.00 N ATOM 0 H LYS A 44 15.613 5.536 -21.904 1.00 0.00 H new ATOM 0 HA LYS A 44 14.816 7.221 -19.620 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.676 7.286 -22.437 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.895 8.014 -21.048 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.907 9.479 -20.726 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.612 8.789 -22.174 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.659 9.578 -23.505 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.945 10.261 -22.058 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.923 11.752 -21.785 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.639 11.068 -23.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.524 13.148 -23.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.746 11.876 -24.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.052 12.538 -23.116 1.00 0.00 H new ATOM 498 N SER A 45 13.896 4.836 -19.187 1.00 0.00 N ATOM 499 CA SER A 45 13.050 3.728 -18.762 1.00 0.00 C ATOM 500 C SER A 45 11.867 4.222 -17.939 1.00 0.00 C ATOM 501 O SER A 45 11.932 5.281 -17.314 1.00 0.00 O ATOM 502 CB SER A 45 13.864 2.725 -17.968 1.00 0.00 C ATOM 503 OG SER A 45 14.303 3.253 -16.746 1.00 0.00 O ATOM 0 H SER A 45 14.734 4.968 -18.620 1.00 0.00 H new ATOM 0 HA SER A 45 12.657 3.240 -19.654 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.262 1.835 -17.783 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.725 2.410 -18.557 1.00 0.00 H new ATOM 0 HG SER A 45 13.800 2.841 -16.012 1.00 0.00 H new ATOM 509 N LEU A 46 10.787 3.449 -17.943 1.00 0.00 N ATOM 510 CA LEU A 46 9.603 3.782 -17.158 1.00 0.00 C ATOM 511 C LEU A 46 9.483 2.882 -15.934 1.00 0.00 C ATOM 512 O LEU A 46 9.787 1.691 -15.995 1.00 0.00 O ATOM 513 CB LEU A 46 8.344 3.673 -18.026 1.00 0.00 C ATOM 514 CG LEU A 46 8.326 4.575 -19.266 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.052 4.339 -20.066 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.432 6.032 -18.838 1.00 0.00 C ATOM 0 H LEU A 46 10.706 2.586 -18.481 1.00 0.00 H new ATOM 0 HA LEU A 46 9.705 4.810 -16.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.233 2.638 -18.348 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.476 3.911 -17.411 1.00 0.00 H new ATOM 0 HG LEU A 46 9.177 4.334 -19.902 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.049 4.984 -20.944 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.008 3.297 -20.381 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.185 4.567 -19.446 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.419 6.672 -19.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.589 6.284 -18.194 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.363 6.184 -18.293 1.00 0.00 H new ATOM 528 N PHE A 47 9.037 3.460 -14.824 1.00 0.00 N ATOM 529 CA PHE A 47 8.905 2.719 -13.575 1.00 0.00 C ATOM 530 C PHE A 47 7.447 2.631 -13.141 1.00 0.00 C ATOM 531 O PHE A 47 6.801 3.648 -12.892 1.00 0.00 O ATOM 532 CB PHE A 47 9.744 3.371 -12.475 1.00 0.00 C ATOM 533 CG PHE A 47 11.223 3.325 -12.734 1.00 0.00 C ATOM 534 CD1 PHE A 47 11.852 4.347 -13.428 1.00 0.00 C ATOM 535 CD2 PHE A 47 11.988 2.259 -12.284 1.00 0.00 C ATOM 536 CE1 PHE A 47 13.213 4.306 -13.667 1.00 0.00 C ATOM 537 CE2 PHE A 47 13.348 2.216 -12.519 1.00 0.00 C ATOM 538 CZ PHE A 47 13.960 3.241 -13.213 1.00 0.00 C ATOM 0 H PHE A 47 8.761 4.440 -14.764 1.00 0.00 H new ATOM 0 HA PHE A 47 9.272 1.707 -13.745 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.436 4.411 -12.364 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.535 2.874 -11.528 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.272 5.185 -13.786 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.514 1.453 -11.743 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.691 5.109 -14.209 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.932 1.382 -12.160 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.023 3.208 -13.400 1.00 0.00 H new ATOM 548 N GLN A 48 6.936 1.408 -13.049 1.00 0.00 N ATOM 549 CA GLN A 48 5.549 1.184 -12.654 1.00 0.00 C ATOM 550 C GLN A 48 5.467 0.363 -11.374 1.00 0.00 C ATOM 551 O GLN A 48 6.343 -0.456 -11.093 1.00 0.00 O ATOM 552 CB GLN A 48 4.781 0.476 -13.772 1.00 0.00 C ATOM 553 CG GLN A 48 4.700 1.264 -15.068 1.00 0.00 C ATOM 554 CD GLN A 48 3.942 0.521 -16.152 1.00 0.00 C ATOM 555 OE1 GLN A 48 3.481 -0.605 -15.945 1.00 0.00 O ATOM 556 NE2 GLN A 48 3.811 1.146 -17.316 1.00 0.00 N ATOM 0 H GLN A 48 7.462 0.556 -13.243 1.00 0.00 H new ATOM 0 HA GLN A 48 5.096 2.158 -12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.257 -0.484 -13.973 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.770 0.264 -13.425 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.213 2.220 -14.878 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.708 1.484 -15.419 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.208 2.077 -17.443 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.313 0.695 -18.084 1.00 0.00 H new ATOM 565 N SER A 49 4.410 0.587 -10.600 1.00 0.00 N ATOM 566 CA SER A 49 4.203 -0.144 -9.355 1.00 0.00 C ATOM 567 C SER A 49 2.994 -1.064 -9.453 1.00 0.00 C ATOM 568 O SER A 49 1.926 -0.656 -9.908 1.00 0.00 O ATOM 569 CB SER A 49 4.037 0.827 -8.202 1.00 0.00 C ATOM 570 OG SER A 49 5.226 1.514 -7.917 1.00 0.00 O ATOM 0 H SER A 49 3.683 1.270 -10.813 1.00 0.00 H new ATOM 0 HA SER A 49 5.081 -0.763 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.253 1.545 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.711 0.284 -7.315 1.00 0.00 H new ATOM 0 HG SER A 49 5.718 1.039 -7.215 1.00 0.00 H new ATOM 576 N THR A 50 3.168 -2.309 -9.021 1.00 0.00 N ATOM 577 CA THR A 50 2.078 -3.278 -9.019 1.00 0.00 C ATOM 578 C THR A 50 1.776 -3.764 -7.606 1.00 0.00 C ATOM 579 O THR A 50 2.639 -4.333 -6.938 1.00 0.00 O ATOM 580 CB THR A 50 2.399 -4.492 -9.910 1.00 0.00 C ATOM 581 OG1 THR A 50 2.585 -4.059 -11.263 1.00 0.00 O ATOM 582 CG2 THR A 50 1.268 -5.506 -9.857 1.00 0.00 C ATOM 0 H THR A 50 4.054 -2.671 -8.668 1.00 0.00 H new ATOM 0 HA THR A 50 1.203 -2.766 -9.420 1.00 0.00 H new ATOM 0 HB THR A 50 3.312 -4.962 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.791 -4.832 -11.829 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.512 -6.357 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.133 -5.847 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.347 -5.042 -10.210 1.00 0.00 H new ATOM 590 N VAL A 51 0.546 -3.535 -7.158 1.00 0.00 N ATOM 591 CA VAL A 51 0.131 -3.942 -5.821 1.00 0.00 C ATOM 592 C VAL A 51 -0.989 -4.974 -5.881 1.00 0.00 C ATOM 593 O VAL A 51 -2.095 -4.678 -6.333 1.00 0.00 O ATOM 594 CB VAL A 51 -0.340 -2.738 -4.985 1.00 0.00 C ATOM 595 CG1 VAL A 51 -0.789 -3.191 -3.603 1.00 0.00 C ATOM 596 CG2 VAL A 51 0.768 -1.702 -4.871 1.00 0.00 C ATOM 0 H VAL A 51 -0.181 -3.070 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 51 1.005 -4.386 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.190 -2.280 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.118 -2.327 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.613 -3.897 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.043 -3.674 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.417 -0.858 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.637 -2.150 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.045 -1.355 -5.866 1.00 0.00 H new ATOM 606 N ILE A 52 -0.693 -6.186 -5.427 1.00 0.00 N ATOM 607 CA ILE A 52 -1.667 -7.271 -5.449 1.00 0.00 C ATOM 608 C ILE A 52 -2.189 -7.570 -4.050 1.00 0.00 C ATOM 609 O ILE A 52 -1.423 -7.916 -3.152 1.00 0.00 O ATOM 610 CB ILE A 52 -1.069 -8.556 -6.050 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.601 -8.307 -7.487 1.00 0.00 C ATOM 612 CG2 ILE A 52 -2.085 -9.687 -6.007 1.00 0.00 C ATOM 613 CD1 ILE A 52 0.217 -9.438 -8.068 1.00 0.00 C ATOM 0 H ILE A 52 0.215 -6.443 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.493 -6.939 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.205 -8.848 -5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.473 -8.140 -8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.009 -7.392 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.645 -10.588 -6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.371 -9.880 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.968 -9.405 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.511 -9.188 -9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.109 -9.592 -7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.378 -10.351 -8.076 1.00 0.00 H new ATOM 625 N LEU A 53 -3.500 -7.438 -3.872 1.00 0.00 N ATOM 626 CA LEU A 53 -4.123 -7.667 -2.574 1.00 0.00 C ATOM 627 C LEU A 53 -5.403 -8.481 -2.714 1.00 0.00 C ATOM 628 O LEU A 53 -6.369 -8.037 -3.334 1.00 0.00 O ATOM 629 CB LEU A 53 -4.415 -6.329 -1.884 1.00 0.00 C ATOM 630 CG LEU A 53 -5.133 -6.435 -0.531 1.00 0.00 C ATOM 631 CD1 LEU A 53 -4.268 -7.202 0.460 1.00 0.00 C ATOM 632 CD2 LEU A 53 -5.444 -5.041 -0.009 1.00 0.00 C ATOM 0 H LEU A 53 -4.151 -7.173 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.427 -8.238 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.473 -5.801 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.022 -5.718 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.069 -6.978 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.786 -7.272 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.077 -8.204 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.321 -6.679 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.954 -5.117 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.516 -4.484 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.086 -4.521 -0.720 1.00 0.00 H new ATOM 644 N ASP A 54 -5.404 -9.677 -2.134 1.00 0.00 N ATOM 645 CA ASP A 54 -6.574 -10.544 -2.170 1.00 0.00 C ATOM 646 C ASP A 54 -7.042 -10.781 -3.600 1.00 0.00 C ATOM 647 O ASP A 54 -8.242 -10.813 -3.873 1.00 0.00 O ATOM 648 CB ASP A 54 -7.711 -9.947 -1.337 1.00 0.00 C ATOM 649 CG ASP A 54 -8.841 -10.919 -1.025 1.00 0.00 C ATOM 650 OD1 ASP A 54 -8.555 -12.043 -0.685 1.00 0.00 O ATOM 651 OD2 ASP A 54 -9.970 -10.490 -0.976 1.00 0.00 O ATOM 0 H ASP A 54 -4.606 -10.067 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.288 -11.505 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.300 -9.574 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.123 -9.089 -1.869 1.00 0.00 H new ATOM 656 N GLY A 55 -6.088 -10.944 -4.510 1.00 0.00 N ATOM 657 CA GLY A 55 -6.398 -11.300 -5.889 1.00 0.00 C ATOM 658 C GLY A 55 -6.794 -10.073 -6.699 1.00 0.00 C ATOM 659 O GLY A 55 -7.207 -10.186 -7.853 1.00 0.00 O ATOM 0 H GLY A 55 -5.092 -10.835 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.532 -11.778 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.209 -12.028 -5.906 1.00 0.00 H new ATOM 663 N VAL A 56 -6.664 -8.900 -6.089 1.00 0.00 N ATOM 664 CA VAL A 56 -6.972 -7.646 -6.765 1.00 0.00 C ATOM 665 C VAL A 56 -5.704 -6.868 -7.089 1.00 0.00 C ATOM 666 O VAL A 56 -5.001 -6.406 -6.190 1.00 0.00 O ATOM 667 CB VAL A 56 -7.903 -6.759 -5.917 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.212 -5.460 -6.645 1.00 0.00 C ATOM 669 CG2 VAL A 56 -9.189 -7.501 -5.584 1.00 0.00 C ATOM 0 H VAL A 56 -6.347 -8.792 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.481 -7.908 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.392 -6.518 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.871 -4.846 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.285 -4.919 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.702 -5.682 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.835 -6.859 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.702 -7.772 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.953 -8.404 -5.022 1.00 0.00 H new ATOM 679 N ARG A 57 -5.413 -6.728 -8.378 1.00 0.00 N ATOM 680 CA ARG A 57 -4.175 -6.099 -8.821 1.00 0.00 C ATOM 681 C ARG A 57 -4.378 -4.614 -9.092 1.00 0.00 C ATOM 682 O ARG A 57 -5.238 -4.230 -9.885 1.00 0.00 O ATOM 683 CB ARG A 57 -3.570 -6.807 -10.024 1.00 0.00 C ATOM 684 CG ARG A 57 -2.286 -6.189 -10.552 1.00 0.00 C ATOM 685 CD ARG A 57 -1.630 -6.968 -11.634 1.00 0.00 C ATOM 686 NE ARG A 57 -1.207 -8.303 -11.243 1.00 0.00 N ATOM 687 CZ ARG A 57 -0.793 -9.256 -12.101 1.00 0.00 C ATOM 688 NH1 ARG A 57 -0.780 -9.040 -13.398 1.00 0.00 N ATOM 689 NH2 ARG A 57 -0.423 -10.423 -11.606 1.00 0.00 N ATOM 0 H ARG A 57 -6.019 -7.043 -9.135 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.458 -6.195 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.373 -7.845 -9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.307 -6.821 -10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.505 -5.188 -10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.585 -6.076 -9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.319 -7.050 -12.474 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.761 -6.414 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.225 -8.534 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.086 -8.140 -13.768 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.464 -9.772 -14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.455 -10.583 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.105 -11.164 -12.230 1.00 0.00 H new ATOM 703 N TYR A 58 -3.580 -3.783 -8.430 1.00 0.00 N ATOM 704 CA TYR A 58 -3.615 -2.343 -8.658 1.00 0.00 C ATOM 705 C TYR A 58 -2.443 -1.893 -9.521 1.00 0.00 C ATOM 706 O TYR A 58 -1.293 -2.246 -9.256 1.00 0.00 O ATOM 707 CB TYR A 58 -3.606 -1.590 -7.326 1.00 0.00 C ATOM 708 CG TYR A 58 -4.689 -2.029 -6.366 1.00 0.00 C ATOM 709 CD1 TYR A 58 -6.021 -1.720 -6.607 1.00 0.00 C ATOM 710 CD2 TYR A 58 -4.379 -2.748 -5.222 1.00 0.00 C ATOM 711 CE1 TYR A 58 -7.014 -2.118 -5.734 1.00 0.00 C ATOM 712 CE2 TYR A 58 -5.365 -3.153 -4.342 1.00 0.00 C ATOM 713 CZ TYR A 58 -6.682 -2.834 -4.601 1.00 0.00 C ATOM 714 OH TYR A 58 -7.668 -3.233 -3.729 1.00 0.00 O ATOM 0 H TYR A 58 -2.901 -4.082 -7.731 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.538 -2.112 -9.190 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.635 -1.726 -6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.718 -0.524 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.285 -1.159 -7.492 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.349 -2.996 -5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.046 -1.870 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.106 -3.716 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.266 -3.727 -2.985 1.00 0.00 H new ATOM 724 N ASN A 59 -2.741 -1.113 -10.553 1.00 0.00 N ATOM 725 CA ASN A 59 -1.731 -0.715 -11.528 1.00 0.00 C ATOM 726 C ASN A 59 -1.502 0.791 -11.500 1.00 0.00 C ATOM 727 O ASN A 59 -2.428 1.573 -11.710 1.00 0.00 O ATOM 728 CB ASN A 59 -2.105 -1.162 -12.929 1.00 0.00 C ATOM 729 CG ASN A 59 -2.207 -2.654 -13.082 1.00 0.00 C ATOM 730 OD1 ASN A 59 -1.210 -3.378 -12.978 1.00 0.00 O ATOM 731 ND2 ASN A 59 -3.389 -3.109 -13.408 1.00 0.00 N ATOM 0 H ASN A 59 -3.674 -0.743 -10.737 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.802 -1.211 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.060 -0.712 -13.201 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.362 -0.784 -13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.520 -4.104 -13.590 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.180 -2.469 -13.480 1.00 0.00 H new ATOM 738 N SER A 60 -0.263 1.191 -11.237 1.00 0.00 N ATOM 739 CA SER A 60 0.105 2.602 -11.242 1.00 0.00 C ATOM 740 C SER A 60 -0.032 3.201 -12.637 1.00 0.00 C ATOM 741 O SER A 60 -0.252 2.484 -13.612 1.00 0.00 O ATOM 742 CB SER A 60 1.521 2.775 -10.730 1.00 0.00 C ATOM 743 OG SER A 60 2.476 2.404 -11.686 1.00 0.00 O ATOM 0 H SER A 60 0.505 0.557 -11.017 1.00 0.00 H new ATOM 0 HA SER A 60 -0.578 3.134 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.679 3.815 -10.446 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.657 2.174 -9.831 1.00 0.00 H new ATOM 0 HG SER A 60 3.141 3.118 -11.778 1.00 0.00 H new ATOM 749 N LEU A 61 0.100 4.520 -12.723 1.00 0.00 N ATOM 750 CA LEU A 61 0.005 5.218 -14.000 1.00 0.00 C ATOM 751 C LEU A 61 1.298 5.091 -14.793 1.00 0.00 C ATOM 752 O LEU A 61 2.392 5.164 -14.233 1.00 0.00 O ATOM 753 CB LEU A 61 -0.339 6.694 -13.773 1.00 0.00 C ATOM 754 CG LEU A 61 -1.707 6.955 -13.129 1.00 0.00 C ATOM 755 CD1 LEU A 61 -1.882 8.443 -12.857 1.00 0.00 C ATOM 756 CD2 LEU A 61 -2.807 6.442 -14.046 1.00 0.00 C ATOM 0 H LEU A 61 0.273 5.128 -11.923 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.792 4.755 -14.581 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.432 7.137 -13.143 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.302 7.211 -14.732 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.767 6.426 -12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.856 8.617 -12.400 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.098 8.784 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.818 8.994 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.779 6.628 -13.588 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.753 6.959 -15.004 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.679 5.371 -14.204 1.00 0.00 H new ATOM 768 N PRO A 62 1.168 4.902 -16.102 1.00 0.00 N ATOM 769 CA PRO A 62 2.327 4.752 -16.975 1.00 0.00 C ATOM 770 C PRO A 62 2.930 6.107 -17.323 1.00 0.00 C ATOM 771 O PRO A 62 2.295 7.145 -17.143 1.00 0.00 O ATOM 772 CB PRO A 62 1.773 4.029 -18.214 1.00 0.00 C ATOM 773 CG PRO A 62 0.347 4.491 -18.328 1.00 0.00 C ATOM 774 CD PRO A 62 -0.066 4.407 -16.729 1.00 0.00 C ATOM 0 HA PRO A 62 3.139 4.194 -16.509 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.343 4.284 -19.107 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.829 2.947 -18.098 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.260 5.498 -18.735 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.260 3.839 -18.957 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.929 5.029 -16.491 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.310 3.391 -16.417 1.00 0.00 H new ATOM 782 N GLY A 63 4.162 6.088 -17.824 1.00 0.00 N ATOM 783 CA GLY A 63 4.823 7.307 -18.276 1.00 0.00 C ATOM 784 C GLY A 63 5.651 7.930 -17.158 1.00 0.00 C ATOM 785 O GLY A 63 6.303 8.956 -17.355 1.00 0.00 O ATOM 0 H GLY A 63 4.722 5.242 -17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.466 7.081 -19.127 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.077 8.022 -18.622 1.00 0.00 H new ATOM 789 N PHE A 64 5.622 7.306 -15.987 1.00 0.00 N ATOM 790 CA PHE A 64 6.361 7.804 -14.834 1.00 0.00 C ATOM 791 C PHE A 64 7.824 7.383 -14.895 1.00 0.00 C ATOM 792 O PHE A 64 8.139 6.245 -15.244 1.00 0.00 O ATOM 793 CB PHE A 64 5.725 7.306 -13.535 1.00 0.00 C ATOM 794 CG PHE A 64 4.454 8.021 -13.170 1.00 0.00 C ATOM 795 CD1 PHE A 64 4.071 9.171 -13.843 1.00 0.00 C ATOM 796 CD2 PHE A 64 3.641 7.545 -12.153 1.00 0.00 C ATOM 797 CE1 PHE A 64 2.903 9.830 -13.509 1.00 0.00 C ATOM 798 CE2 PHE A 64 2.472 8.200 -11.818 1.00 0.00 C ATOM 799 CZ PHE A 64 2.103 9.344 -12.495 1.00 0.00 C ATOM 0 H PHE A 64 5.093 6.452 -15.811 1.00 0.00 H new ATOM 0 HA PHE A 64 6.318 8.893 -14.855 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.518 6.240 -13.628 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.442 7.421 -12.722 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.693 9.556 -14.638 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.925 6.652 -11.616 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.616 10.725 -14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.846 7.816 -11.026 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.190 9.858 -12.232 1.00 0.00 H new ATOM 809 N PHE A 65 8.714 8.308 -14.553 1.00 0.00 N ATOM 810 CA PHE A 65 10.145 8.025 -14.537 1.00 0.00 C ATOM 811 C PHE A 65 10.659 7.874 -13.111 1.00 0.00 C ATOM 812 O PHE A 65 11.868 7.815 -12.880 1.00 0.00 O ATOM 813 CB PHE A 65 10.917 9.131 -15.260 1.00 0.00 C ATOM 814 CG PHE A 65 10.592 9.238 -16.723 1.00 0.00 C ATOM 815 CD1 PHE A 65 11.179 8.383 -17.643 1.00 0.00 C ATOM 816 CD2 PHE A 65 9.699 10.194 -17.181 1.00 0.00 C ATOM 817 CE1 PHE A 65 10.884 8.481 -18.989 1.00 0.00 C ATOM 818 CE2 PHE A 65 9.400 10.294 -18.527 1.00 0.00 C ATOM 819 CZ PHE A 65 9.992 9.438 -19.430 1.00 0.00 C ATOM 0 H PHE A 65 8.470 9.261 -14.283 1.00 0.00 H new ATOM 0 HA PHE A 65 10.305 7.082 -15.059 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.703 10.085 -14.779 1.00 0.00 H new ATOM 0 HB3 PHE A 65 11.986 8.949 -15.147 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.876 7.631 -17.303 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.232 10.868 -16.479 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.350 7.810 -19.695 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.702 11.043 -18.871 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.758 9.516 -20.482 1.00 0.00 H new ATOM 829 N ASN A 66 9.737 7.809 -12.158 1.00 0.00 N ATOM 830 CA ASN A 66 10.097 7.671 -10.751 1.00 0.00 C ATOM 831 C ASN A 66 9.278 6.576 -10.078 1.00 0.00 C ATOM 832 O ASN A 66 8.071 6.470 -10.294 1.00 0.00 O ATOM 833 CB ASN A 66 9.934 8.983 -10.005 1.00 0.00 C ATOM 834 CG ASN A 66 10.809 10.087 -10.527 1.00 0.00 C ATOM 835 OD1 ASN A 66 12.025 10.103 -10.303 1.00 0.00 O ATOM 836 ND2 ASN A 66 10.186 11.054 -11.151 1.00 0.00 N ATOM 0 H ASN A 66 8.733 7.850 -12.334 1.00 0.00 H new ATOM 0 HA ASN A 66 11.149 7.387 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.892 9.298 -10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.158 8.822 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.706 11.869 -11.477 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.181 10.993 -11.311 1.00 0.00 H new ATOM 843 N ARG A 67 9.942 5.765 -9.262 1.00 0.00 N ATOM 844 CA ARG A 67 9.265 4.722 -8.501 1.00 0.00 C ATOM 845 C ARG A 67 8.299 5.320 -7.485 1.00 0.00 C ATOM 846 O ARG A 67 7.200 4.804 -7.281 1.00 0.00 O ATOM 847 CB ARG A 67 10.245 3.764 -7.841 1.00 0.00 C ATOM 848 CG ARG A 67 10.976 2.837 -8.799 1.00 0.00 C ATOM 849 CD ARG A 67 11.983 1.957 -8.151 1.00 0.00 C ATOM 850 NE ARG A 67 12.696 1.081 -9.067 1.00 0.00 N ATOM 851 CZ ARG A 67 13.701 0.258 -8.711 1.00 0.00 C ATOM 852 NH1 ARG A 67 14.142 0.222 -7.473 1.00 0.00 N ATOM 853 NH2 ARG A 67 14.252 -0.497 -9.646 1.00 0.00 N ATOM 0 H ARG A 67 10.950 5.810 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 67 8.682 4.135 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.982 4.345 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.705 3.158 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.244 2.214 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.473 3.439 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.707 2.580 -7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.483 1.346 -7.399 1.00 0.00 H new ATOM 0 HE ARG A 67 12.415 1.090 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.722 0.824 -6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.904 -0.408 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.914 -0.446 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.015 -1.130 -9.406 1.00 0.00 H new ATOM 867 N LYS A 68 8.716 6.409 -6.850 1.00 0.00 N ATOM 868 CA LYS A 68 7.880 7.092 -5.871 1.00 0.00 C ATOM 869 C LYS A 68 6.562 7.539 -6.488 1.00 0.00 C ATOM 870 O LYS A 68 5.492 7.312 -5.923 1.00 0.00 O ATOM 871 CB LYS A 68 8.619 8.295 -5.282 1.00 0.00 C ATOM 872 CG LYS A 68 7.839 9.051 -4.213 1.00 0.00 C ATOM 873 CD LYS A 68 8.665 10.185 -3.624 1.00 0.00 C ATOM 874 CE LYS A 68 7.873 10.964 -2.584 1.00 0.00 C ATOM 875 NZ LYS A 68 8.663 12.087 -2.011 1.00 0.00 N ATOM 0 H LYS A 68 9.630 6.838 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 68 7.659 6.385 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.561 7.953 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.867 8.984 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.922 9.452 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.544 8.363 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.569 9.781 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.983 10.858 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.963 11.355 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.565 10.291 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.088 12.592 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.519 11.712 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.935 12.743 -2.771 1.00 0.00 H new ATOM 889 N ALA A 69 6.644 8.176 -7.652 1.00 0.00 N ATOM 890 CA ALA A 69 5.455 8.638 -8.358 1.00 0.00 C ATOM 891 C ALA A 69 4.523 7.479 -8.685 1.00 0.00 C ATOM 892 O ALA A 69 3.305 7.594 -8.551 1.00 0.00 O ATOM 893 CB ALA A 69 5.848 9.380 -9.627 1.00 0.00 C ATOM 0 H ALA A 69 7.523 8.384 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 69 4.919 9.324 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.950 9.719 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.465 10.241 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.411 8.713 -10.279 1.00 0.00 H new ATOM 899 N ALA A 70 5.102 6.364 -9.114 1.00 0.00 N ATOM 900 CA ALA A 70 4.331 5.158 -9.393 1.00 0.00 C ATOM 901 C ALA A 70 3.606 4.667 -8.146 1.00 0.00 C ATOM 902 O ALA A 70 2.443 4.271 -8.207 1.00 0.00 O ATOM 903 CB ALA A 70 5.233 4.067 -9.948 1.00 0.00 C ATOM 0 H ALA A 70 6.105 6.270 -9.277 1.00 0.00 H new ATOM 0 HA ALA A 70 3.580 5.405 -10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.642 3.174 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.696 4.413 -10.872 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.009 3.831 -9.220 1.00 0.00 H new ATOM 909 N GLU A 71 4.302 4.695 -7.014 1.00 0.00 N ATOM 910 CA GLU A 71 3.729 4.250 -5.750 1.00 0.00 C ATOM 911 C GLU A 71 2.572 5.145 -5.326 1.00 0.00 C ATOM 912 O GLU A 71 1.588 4.674 -4.754 1.00 0.00 O ATOM 913 CB GLU A 71 4.799 4.219 -4.657 1.00 0.00 C ATOM 914 CG GLU A 71 5.830 3.112 -4.817 1.00 0.00 C ATOM 915 CD GLU A 71 6.922 3.229 -3.791 1.00 0.00 C ATOM 916 OE1 GLU A 71 6.899 4.167 -3.031 1.00 0.00 O ATOM 917 OE2 GLU A 71 7.716 2.324 -3.690 1.00 0.00 O ATOM 0 H GLU A 71 5.266 5.022 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 71 3.344 3.241 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.314 5.179 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.310 4.106 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.342 2.142 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.262 3.156 -5.817 1.00 0.00 H new ATOM 924 N GLN A 72 2.695 6.437 -5.607 1.00 0.00 N ATOM 925 CA GLN A 72 1.657 7.401 -5.257 1.00 0.00 C ATOM 926 C GLN A 72 0.368 7.120 -6.015 1.00 0.00 C ATOM 927 O GLN A 72 -0.719 7.128 -5.436 1.00 0.00 O ATOM 928 CB GLN A 72 2.130 8.827 -5.550 1.00 0.00 C ATOM 929 CG GLN A 72 3.188 9.342 -4.590 1.00 0.00 C ATOM 930 CD GLN A 72 3.729 10.699 -4.999 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.382 11.228 -6.059 1.00 0.00 O ATOM 932 NE2 GLN A 72 4.587 11.270 -4.161 1.00 0.00 N ATOM 0 H GLN A 72 3.504 6.842 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 72 1.458 7.302 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.527 8.865 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.270 9.496 -5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.764 9.410 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.009 8.627 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.846 10.797 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.987 12.182 -4.383 1.00 0.00 H new ATOM 941 N SER A 73 0.493 6.871 -7.314 1.00 0.00 N ATOM 942 CA SER A 73 -0.665 6.597 -8.157 1.00 0.00 C ATOM 943 C SER A 73 -1.210 5.197 -7.908 1.00 0.00 C ATOM 944 O SER A 73 -2.406 4.948 -8.064 1.00 0.00 O ATOM 945 CB SER A 73 -0.299 6.769 -9.619 1.00 0.00 C ATOM 946 OG SER A 73 0.641 5.821 -10.042 1.00 0.00 O ATOM 0 H SER A 73 1.386 6.853 -7.807 1.00 0.00 H new ATOM 0 HA SER A 73 -1.448 7.311 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.198 6.685 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.101 7.771 -9.777 1.00 0.00 H new ATOM 0 HG SER A 73 1.107 5.453 -9.263 1.00 0.00 H new ATOM 952 N ALA A 74 -0.326 4.284 -7.521 1.00 0.00 N ATOM 953 CA ALA A 74 -0.733 2.941 -7.127 1.00 0.00 C ATOM 954 C ALA A 74 -1.624 2.977 -5.892 1.00 0.00 C ATOM 955 O ALA A 74 -2.624 2.261 -5.814 1.00 0.00 O ATOM 956 CB ALA A 74 0.487 2.068 -6.878 1.00 0.00 C ATOM 0 H ALA A 74 0.679 4.450 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.310 2.510 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.166 1.069 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.082 2.005 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.090 2.504 -6.081 1.00 0.00 H new ATOM 962 N ALA A 75 -1.256 3.811 -4.926 1.00 0.00 N ATOM 963 CA ALA A 75 -2.078 4.022 -3.741 1.00 0.00 C ATOM 964 C ALA A 75 -3.400 4.687 -4.098 1.00 0.00 C ATOM 965 O ALA A 75 -4.446 4.351 -3.543 1.00 0.00 O ATOM 966 CB ALA A 75 -1.324 4.854 -2.713 1.00 0.00 C ATOM 0 H ALA A 75 -0.392 4.353 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.300 3.047 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.951 5.003 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.411 4.334 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.069 5.822 -3.145 1.00 0.00 H new ATOM 972 N GLU A 76 -3.348 5.634 -5.030 1.00 0.00 N ATOM 973 CA GLU A 76 -4.552 6.297 -5.516 1.00 0.00 C ATOM 974 C GLU A 76 -5.557 5.291 -6.057 1.00 0.00 C ATOM 975 O GLU A 76 -6.733 5.316 -5.695 1.00 0.00 O ATOM 976 CB GLU A 76 -4.199 7.321 -6.598 1.00 0.00 C ATOM 977 CG GLU A 76 -5.397 8.054 -7.184 1.00 0.00 C ATOM 978 CD GLU A 76 -4.975 9.020 -8.256 1.00 0.00 C ATOM 979 OE1 GLU A 76 -3.796 9.153 -8.480 1.00 0.00 O ATOM 980 OE2 GLU A 76 -5.833 9.542 -8.929 1.00 0.00 O ATOM 0 H GLU A 76 -2.484 5.959 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.010 6.814 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.510 8.054 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.670 6.812 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.101 7.332 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.920 8.591 -6.393 1.00 0.00 H new ATOM 987 N VAL A 77 -5.087 4.400 -6.926 1.00 0.00 N ATOM 988 CA VAL A 77 -5.942 3.378 -7.516 1.00 0.00 C ATOM 989 C VAL A 77 -6.531 2.468 -6.445 1.00 0.00 C ATOM 990 O VAL A 77 -7.707 2.109 -6.500 1.00 0.00 O ATOM 991 CB VAL A 77 -5.177 2.521 -8.540 1.00 0.00 C ATOM 992 CG1 VAL A 77 -6.022 1.335 -8.981 1.00 0.00 C ATOM 993 CG2 VAL A 77 -4.773 3.362 -9.742 1.00 0.00 C ATOM 0 H VAL A 77 -4.116 4.367 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.749 3.902 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.273 2.142 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.465 0.740 -9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.264 0.719 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.943 1.695 -9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.233 2.740 -10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.665 3.769 -10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.131 4.180 -9.415 1.00 0.00 H new ATOM 1003 N ALA A 78 -5.705 2.098 -5.472 1.00 0.00 N ATOM 1004 CA ALA A 78 -6.161 1.293 -4.346 1.00 0.00 C ATOM 1005 C ALA A 78 -7.278 1.994 -3.584 1.00 0.00 C ATOM 1006 O ALA A 78 -8.280 1.375 -3.223 1.00 0.00 O ATOM 1007 CB ALA A 78 -5.000 0.975 -3.416 1.00 0.00 C ATOM 0 H ALA A 78 -4.715 2.343 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.560 0.358 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.357 0.373 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.237 0.420 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.572 1.903 -3.038 1.00 0.00 H new ATOM 1013 N LEU A 79 -7.100 3.288 -3.342 1.00 0.00 N ATOM 1014 CA LEU A 79 -8.098 4.078 -2.629 1.00 0.00 C ATOM 1015 C LEU A 79 -9.387 4.190 -3.431 1.00 0.00 C ATOM 1016 O LEU A 79 -10.484 4.122 -2.875 1.00 0.00 O ATOM 1017 CB LEU A 79 -7.541 5.473 -2.313 1.00 0.00 C ATOM 1018 CG LEU A 79 -6.445 5.510 -1.241 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -5.819 6.897 -1.183 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -7.039 5.130 0.107 1.00 0.00 C ATOM 0 H LEU A 79 -6.274 3.813 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.329 3.569 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.143 5.905 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.364 6.111 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.664 4.793 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.042 6.914 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.381 7.139 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.585 7.632 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.260 5.156 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.827 5.836 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.457 4.125 0.050 1.00 0.00 H new ATOM 1032 N ARG A 80 -9.250 4.366 -4.741 1.00 0.00 N ATOM 1033 CA ARG A 80 -10.405 4.484 -5.623 1.00 0.00 C ATOM 1034 C ARG A 80 -11.235 3.207 -5.618 1.00 0.00 C ATOM 1035 O ARG A 80 -12.465 3.254 -5.596 1.00 0.00 O ATOM 1036 CB ARG A 80 -10.008 4.885 -7.037 1.00 0.00 C ATOM 1037 CG ARG A 80 -9.496 6.309 -7.178 1.00 0.00 C ATOM 1038 CD ARG A 80 -9.126 6.692 -8.565 1.00 0.00 C ATOM 1039 NE ARG A 80 -8.549 8.021 -8.689 1.00 0.00 N ATOM 1040 CZ ARG A 80 -9.261 9.164 -8.719 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -10.574 9.146 -8.673 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -8.603 10.306 -8.821 1.00 0.00 N ATOM 0 H ARG A 80 -8.349 4.430 -5.216 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.028 5.288 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.237 4.200 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.871 4.758 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.262 6.995 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.625 6.435 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.414 5.963 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.015 6.635 -9.194 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.534 8.093 -8.758 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.070 8.257 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.097 10.021 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.584 10.305 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.114 11.188 -8.846 1.00 0.00 H new ATOM 1056 N GLU A 81 -10.556 2.065 -5.637 1.00 0.00 N ATOM 1057 CA GLU A 81 -11.229 0.772 -5.622 1.00 0.00 C ATOM 1058 C GLU A 81 -11.811 0.471 -4.247 1.00 0.00 C ATOM 1059 O GLU A 81 -12.837 -0.202 -4.130 1.00 0.00 O ATOM 1060 CB GLU A 81 -10.265 -0.339 -6.041 1.00 0.00 C ATOM 1061 CG GLU A 81 -9.853 -0.295 -7.506 1.00 0.00 C ATOM 1062 CD GLU A 81 -11.049 -0.381 -8.413 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -11.833 -1.284 -8.248 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -11.240 0.519 -9.196 1.00 0.00 O ATOM 0 H GLU A 81 -9.538 2.009 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.050 0.815 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.370 -0.279 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.730 -1.303 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.309 0.628 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.172 -1.119 -7.719 1.00 0.00 H new ATOM 1071 N LEU A 82 -11.151 0.970 -3.208 1.00 0.00 N ATOM 1072 CA LEU A 82 -11.660 0.850 -1.848 1.00 0.00 C ATOM 1073 C LEU A 82 -12.992 1.571 -1.692 1.00 0.00 C ATOM 1074 O LEU A 82 -13.933 1.038 -1.102 1.00 0.00 O ATOM 1075 CB LEU A 82 -10.636 1.401 -0.848 1.00 0.00 C ATOM 1076 CG LEU A 82 -11.056 1.326 0.626 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -11.279 -0.124 1.033 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -9.985 1.971 1.493 1.00 0.00 C ATOM 0 H LEU A 82 -10.261 1.462 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.824 -0.208 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.701 0.854 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.431 2.442 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.992 1.866 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.577 -0.166 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.064 -0.559 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.356 -0.687 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.284 1.918 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.041 1.444 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.862 3.015 1.203 1.00 0.00 H new ATOM 1090 N ALA A 83 -13.068 2.787 -2.224 1.00 0.00 N ATOM 1091 CA ALA A 83 -14.306 3.557 -2.202 1.00 0.00 C ATOM 1092 C ALA A 83 -15.427 2.815 -2.918 1.00 0.00 C ATOM 1093 O ALA A 83 -16.592 2.907 -2.527 1.00 0.00 O ATOM 1094 CB ALA A 83 -14.088 4.926 -2.830 1.00 0.00 C ATOM 0 H ALA A 83 -12.286 3.260 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.603 3.691 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.021 5.490 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.324 5.465 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.763 4.805 -3.863 1.00 0.00 H new ATOM 1100 N LYS A 84 -15.072 2.083 -3.967 1.00 0.00 N ATOM 1101 CA LYS A 84 -16.046 1.307 -4.725 1.00 0.00 C ATOM 1102 C LYS A 84 -16.555 0.121 -3.917 1.00 0.00 C ATOM 1103 O LYS A 84 -17.700 -0.303 -4.070 1.00 0.00 O ATOM 1104 CB LYS A 84 -15.437 0.823 -6.042 1.00 0.00 C ATOM 1105 CG LYS A 84 -15.180 1.926 -7.059 1.00 0.00 C ATOM 1106 CD LYS A 84 -14.485 1.384 -8.300 1.00 0.00 C ATOM 1107 CE LYS A 84 -14.182 2.495 -9.295 1.00 0.00 C ATOM 1108 NZ LYS A 84 -13.467 1.986 -10.496 1.00 0.00 N ATOM 0 H LYS A 84 -14.115 2.010 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.892 1.958 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.496 0.316 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.104 0.084 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.125 2.390 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.566 2.705 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.558 0.888 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.116 0.632 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.113 2.971 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.577 3.261 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.160 2.788 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.636 1.437 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.105 1.377 -11.048 1.00 0.00 H new ATOM 1122 N SER A 85 -15.696 -0.414 -3.054 1.00 0.00 N ATOM 1123 CA SER A 85 -16.059 -1.549 -2.214 1.00 0.00 C ATOM 1124 C SER A 85 -16.641 -1.087 -0.885 1.00 0.00 C ATOM 1125 O SER A 85 -17.202 -1.883 -0.132 1.00 0.00 O ATOM 1126 CB SER A 85 -14.850 -2.435 -1.984 1.00 0.00 C ATOM 1127 OG SER A 85 -13.880 -1.806 -1.191 1.00 0.00 O ATOM 0 H SER A 85 -14.742 -0.078 -2.919 1.00 0.00 H new ATOM 0 HA SER A 85 -16.826 -2.124 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.166 -3.361 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.412 -2.707 -2.944 1.00 0.00 H new ATOM 0 HG SER A 85 -13.997 -0.834 -1.240 1.00 0.00 H new ATOM 1133 N SER A 86 -16.502 0.203 -0.601 1.00 0.00 N ATOM 1134 CA SER A 86 -17.043 0.780 0.624 1.00 0.00 C ATOM 1135 C SER A 86 -18.555 0.938 0.538 1.00 0.00 C ATOM 1136 O SER A 86 -19.239 1.031 1.559 1.00 0.00 O ATOM 1137 CB SER A 86 -16.387 2.118 0.906 1.00 0.00 C ATOM 1138 OG SER A 86 -16.928 2.742 2.037 1.00 0.00 O ATOM 0 H SER A 86 -16.019 0.870 -1.203 1.00 0.00 H new ATOM 0 HA SER A 86 -16.824 0.098 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.316 1.973 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.507 2.770 0.041 1.00 0.00 H new ATOM 0 HG SER A 86 -16.477 3.600 2.185 1.00 0.00 H new TER 1144 SER A 86