USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 28 MET CE :methyl -143:sc= -0.251 (180deg=-1.1) USER MOD Set 1.2: A 48 MET CE :methyl 169:sc= -0.0103 (180deg=0) USER MOD Single : A 3 MET CE :methyl -169:sc= -0.943 (180deg=-1.04) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -172:sc= 0 (180deg=-0.168) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -161:sc= -4.92! (180deg=-6!) USER MOD Single : A 51 GLN : amide:sc= -5.73! C(o=-5.7!,f=-21!) USER MOD Single : A 52 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.73) USER MOD Single : A 54 THR OG1 : rot 180:sc= -2.02 USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 0.965 (180deg=-0.0471) USER MOD Single : A 72 THR OG1 : rot -162:sc= -0.637! USER MOD Single : A 81 MET CE :methyl -120:sc= -2.85! (180deg=-4.39!) USER MOD Single : A 82 MET CE :methyl -139:sc= -4.59! (180deg=-9.92!) USER MOD Single : A 85 GLN : amide:sc= -0.535 K(o=-0.54,f=-2) USER MOD Single : A 86 MET CE :methyl 140:sc= -1.23 (180deg=-3.72!) USER MOD Single : A 87 LYS NZ :NH3+ 143:sc= -0.0548 (180deg=-0.483) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 65.032 -7.084 -10.028 1.00 0.00 N ATOM 25 CA MET A 3 64.624 -6.090 -8.992 1.00 0.00 C ATOM 26 C MET A 3 63.337 -5.380 -9.421 1.00 0.00 C ATOM 27 O MET A 3 62.462 -5.120 -8.618 1.00 0.00 O ATOM 28 CB MET A 3 65.784 -5.099 -8.915 1.00 0.00 C ATOM 29 CG MET A 3 66.678 -5.453 -7.725 1.00 0.00 C ATOM 30 SD MET A 3 67.157 -3.938 -6.858 1.00 0.00 S ATOM 31 CE MET A 3 67.921 -4.730 -5.423 1.00 0.00 C ATOM 0 HA MET A 3 64.423 -6.556 -8.027 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.362 -5.127 -9.839 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.403 -4.084 -8.808 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.149 -6.122 -7.046 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.566 -5.984 -8.069 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.117 -3.981 -4.656 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.248 -5.489 -5.025 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.859 -5.197 -5.722 1.00 0.00 H new ATOM 41 N THR A 4 63.212 -5.065 -10.682 1.00 0.00 N ATOM 42 CA THR A 4 61.980 -4.373 -11.159 1.00 0.00 C ATOM 43 C THR A 4 60.737 -5.069 -10.599 1.00 0.00 C ATOM 44 O THR A 4 59.687 -4.473 -10.466 1.00 0.00 O ATOM 45 CB THR A 4 62.023 -4.495 -12.683 1.00 0.00 C ATOM 46 OG1 THR A 4 60.869 -3.880 -13.237 1.00 0.00 O ATOM 47 CG2 THR A 4 62.057 -5.971 -13.078 1.00 0.00 C ATOM 0 H THR A 4 63.909 -5.257 -11.402 1.00 0.00 H new ATOM 0 HA THR A 4 61.936 -3.333 -10.835 1.00 0.00 H new ATOM 0 HB THR A 4 62.917 -4.000 -13.063 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.895 -3.956 -14.214 1.00 0.00 H new ATOM 0 HG21 THR A 4 62.088 -6.056 -14.164 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.943 -6.441 -12.652 1.00 0.00 H new ATOM 0 HG23 THR A 4 61.164 -6.469 -12.700 1.00 0.00 H new ATOM 55 N ASP A 5 60.850 -6.327 -10.271 1.00 0.00 N ATOM 56 CA ASP A 5 59.677 -7.063 -9.719 1.00 0.00 C ATOM 57 C ASP A 5 59.582 -6.844 -8.207 1.00 0.00 C ATOM 58 O ASP A 5 58.562 -6.429 -7.693 1.00 0.00 O ATOM 59 CB ASP A 5 59.953 -8.534 -10.031 1.00 0.00 C ATOM 60 CG ASP A 5 59.246 -8.923 -11.331 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.171 -8.400 -11.577 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.791 -9.737 -12.058 1.00 0.00 O ATOM 0 H ASP A 5 61.704 -6.877 -10.361 1.00 0.00 H new ATOM 0 HA ASP A 5 58.735 -6.724 -10.149 1.00 0.00 H new ATOM 0 HB2 ASP A 5 61.026 -8.702 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.602 -9.162 -9.212 1.00 0.00 H new ATOM 67 N GLN A 6 60.640 -7.117 -7.491 1.00 0.00 N ATOM 68 CA GLN A 6 60.612 -6.922 -6.014 1.00 0.00 C ATOM 69 C GLN A 6 60.610 -5.427 -5.682 1.00 0.00 C ATOM 70 O GLN A 6 60.482 -5.035 -4.539 1.00 0.00 O ATOM 71 CB GLN A 6 61.891 -7.584 -5.502 1.00 0.00 C ATOM 72 CG GLN A 6 61.753 -7.872 -4.006 1.00 0.00 C ATOM 73 CD GLN A 6 61.355 -9.335 -3.802 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.184 -9.659 -3.772 1.00 0.00 O ATOM 75 NE2 GLN A 6 62.285 -10.238 -3.661 1.00 0.00 N ATOM 0 H GLN A 6 61.522 -7.467 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 6 59.721 -7.352 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.076 -8.510 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.747 -6.933 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.695 -7.666 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.002 -7.215 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.268 -9.966 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 6 62.030 -11.216 -3.526 1.00 0.00 H new ATOM 84 N GLN A 7 60.750 -4.591 -6.674 1.00 0.00 N ATOM 85 CA GLN A 7 60.754 -3.124 -6.413 1.00 0.00 C ATOM 86 C GLN A 7 59.367 -2.667 -5.957 1.00 0.00 C ATOM 87 O GLN A 7 59.233 -1.732 -5.195 1.00 0.00 O ATOM 88 CB GLN A 7 61.114 -2.480 -7.752 1.00 0.00 C ATOM 89 CG GLN A 7 61.059 -0.958 -7.617 1.00 0.00 C ATOM 90 CD GLN A 7 60.226 -0.373 -8.760 1.00 0.00 C ATOM 91 OE1 GLN A 7 60.739 -0.112 -9.829 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.952 -0.154 -8.577 1.00 0.00 N ATOM 0 H GLN A 7 60.862 -4.860 -7.652 1.00 0.00 H new ATOM 0 HA GLN A 7 61.457 -2.848 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.111 -2.792 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.422 -2.812 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.622 -0.683 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.067 -0.544 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.521 -0.373 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.388 0.236 -9.332 1.00 0.00 H new ATOM 101 N ALA A 8 58.334 -3.319 -6.420 1.00 0.00 N ATOM 102 CA ALA A 8 56.955 -2.921 -6.013 1.00 0.00 C ATOM 103 C ALA A 8 56.561 -3.628 -4.714 1.00 0.00 C ATOM 104 O ALA A 8 55.971 -3.038 -3.831 1.00 0.00 O ATOM 105 CB ALA A 8 56.057 -3.373 -7.165 1.00 0.00 C ATOM 0 H ALA A 8 58.385 -4.110 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 8 56.872 -1.850 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.022 -3.116 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.365 -2.874 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.143 -4.452 -7.292 1.00 0.00 H new ATOM 111 N GLU A 9 56.885 -4.885 -4.587 1.00 0.00 N ATOM 112 CA GLU A 9 56.531 -5.620 -3.340 1.00 0.00 C ATOM 113 C GLU A 9 57.470 -5.201 -2.205 1.00 0.00 C ATOM 114 O GLU A 9 57.282 -5.567 -1.061 1.00 0.00 O ATOM 115 CB GLU A 9 56.723 -7.099 -3.679 1.00 0.00 C ATOM 116 CG GLU A 9 55.846 -7.955 -2.762 1.00 0.00 C ATOM 117 CD GLU A 9 54.516 -8.253 -3.457 1.00 0.00 C ATOM 118 OE1 GLU A 9 54.522 -9.032 -4.396 1.00 0.00 O ATOM 119 OE2 GLU A 9 53.513 -7.699 -3.038 1.00 0.00 O ATOM 0 H GLU A 9 57.378 -5.434 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 9 55.514 -5.411 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.462 -7.280 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.770 -7.377 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.357 -8.886 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.668 -7.434 -1.822 1.00 0.00 H new ATOM 126 N ALA A 10 58.479 -4.431 -2.514 1.00 0.00 N ATOM 127 CA ALA A 10 59.431 -3.983 -1.458 1.00 0.00 C ATOM 128 C ALA A 10 58.834 -2.812 -0.668 1.00 0.00 C ATOM 129 O ALA A 10 59.266 -2.505 0.424 1.00 0.00 O ATOM 130 CB ALA A 10 60.684 -3.542 -2.217 1.00 0.00 C ATOM 0 H ALA A 10 58.685 -4.093 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 10 59.650 -4.770 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.436 -3.197 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.080 -4.384 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.429 -2.731 -2.899 1.00 0.00 H new ATOM 136 N ARG A 11 57.840 -2.158 -1.210 1.00 0.00 N ATOM 137 CA ARG A 11 57.218 -1.011 -0.482 1.00 0.00 C ATOM 138 C ARG A 11 55.988 -1.491 0.291 1.00 0.00 C ATOM 139 O ARG A 11 55.816 -1.190 1.456 1.00 0.00 O ATOM 140 CB ARG A 11 56.796 -0.008 -1.563 1.00 0.00 C ATOM 141 CG ARG A 11 57.838 0.040 -2.682 1.00 0.00 C ATOM 142 CD ARG A 11 57.231 -0.543 -3.959 1.00 0.00 C ATOM 143 NE ARG A 11 57.837 0.246 -5.068 1.00 0.00 N ATOM 144 CZ ARG A 11 57.204 1.277 -5.557 1.00 0.00 C ATOM 145 NH1 ARG A 11 57.248 2.424 -4.935 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.528 1.162 -6.667 1.00 0.00 N ATOM 0 H ARG A 11 57.433 -2.367 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 11 57.909 -0.565 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.826 -0.291 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.679 0.983 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.158 1.068 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.724 -0.526 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.462 -1.604 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.145 -0.452 -3.957 1.00 0.00 H new ATOM 0 HE ARG A 11 58.747 -0.020 -5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 11 57.777 2.514 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.753 3.230 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.494 0.266 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.033 1.968 -7.049 1.00 0.00 H new ATOM 160 N ALA A 12 55.130 -2.234 -0.353 1.00 0.00 N ATOM 161 CA ALA A 12 53.908 -2.734 0.336 1.00 0.00 C ATOM 162 C ALA A 12 54.283 -3.418 1.654 1.00 0.00 C ATOM 163 O ALA A 12 53.648 -3.217 2.670 1.00 0.00 O ATOM 164 CB ALA A 12 53.293 -3.742 -0.636 1.00 0.00 C ATOM 0 H ALA A 12 55.223 -2.517 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 12 53.215 -1.930 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.384 -4.159 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.051 -3.242 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.005 -4.545 -0.826 1.00 0.00 H new ATOM 170 N PHE A 13 55.312 -4.220 1.648 1.00 0.00 N ATOM 171 CA PHE A 13 55.726 -4.911 2.903 1.00 0.00 C ATOM 172 C PHE A 13 55.870 -3.894 4.038 1.00 0.00 C ATOM 173 O PHE A 13 55.827 -4.238 5.203 1.00 0.00 O ATOM 174 CB PHE A 13 57.076 -5.549 2.578 1.00 0.00 C ATOM 175 CG PHE A 13 57.707 -6.068 3.847 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.445 -5.204 4.665 1.00 0.00 C ATOM 177 CD2 PHE A 13 57.556 -7.412 4.205 1.00 0.00 C ATOM 178 CE1 PHE A 13 59.032 -5.685 5.841 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.143 -7.894 5.381 1.00 0.00 C ATOM 180 CZ PHE A 13 58.880 -7.031 6.199 1.00 0.00 C ATOM 0 H PHE A 13 55.884 -4.427 0.829 1.00 0.00 H new ATOM 0 HA PHE A 13 54.996 -5.652 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 13 56.943 -6.364 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.732 -4.817 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 13 58.561 -4.166 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 13 56.986 -8.078 3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 13 59.602 -5.019 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 13 58.027 -8.932 5.657 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.332 -7.402 7.107 1.00 0.00 H new ATOM 190 N LEU A 14 56.038 -2.643 3.705 1.00 0.00 N ATOM 191 CA LEU A 14 56.182 -1.601 4.761 1.00 0.00 C ATOM 192 C LEU A 14 54.864 -0.839 4.932 1.00 0.00 C ATOM 193 O LEU A 14 54.451 -0.096 4.065 1.00 0.00 O ATOM 194 CB LEU A 14 57.278 -0.669 4.246 1.00 0.00 C ATOM 195 CG LEU A 14 58.529 -1.484 3.922 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.362 -0.744 2.873 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.360 -1.669 5.193 1.00 0.00 C ATOM 0 H LEU A 14 56.082 -2.297 2.746 1.00 0.00 H new ATOM 0 HA LEU A 14 56.432 -2.026 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.934 -0.142 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.508 0.088 4.996 1.00 0.00 H new ATOM 0 HG LEU A 14 58.237 -2.459 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.255 -1.325 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.771 -0.610 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.655 0.231 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 14 60.253 -2.250 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.653 -0.694 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.768 -2.195 5.942 1.00 0.00 H new ATOM 209 N SER A 15 54.203 -1.020 6.042 1.00 0.00 N ATOM 210 CA SER A 15 52.911 -0.306 6.264 1.00 0.00 C ATOM 211 C SER A 15 53.125 1.208 6.189 1.00 0.00 C ATOM 212 O SER A 15 54.218 1.680 5.947 1.00 0.00 O ATOM 213 CB SER A 15 52.470 -0.717 7.667 1.00 0.00 C ATOM 214 OG SER A 15 51.511 -1.761 7.571 1.00 0.00 O ATOM 0 H SER A 15 54.500 -1.630 6.804 1.00 0.00 H new ATOM 0 HA SER A 15 52.164 -0.558 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.330 -1.050 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.043 0.138 8.191 1.00 0.00 H new ATOM 0 HG SER A 15 51.227 -2.028 8.470 1.00 0.00 H new ATOM 220 N GLU A 16 52.088 1.974 6.395 1.00 0.00 N ATOM 221 CA GLU A 16 52.234 3.456 6.336 1.00 0.00 C ATOM 222 C GLU A 16 53.316 3.916 7.315 1.00 0.00 C ATOM 223 O GLU A 16 54.369 4.376 6.917 1.00 0.00 O ATOM 224 CB GLU A 16 50.867 4.003 6.746 1.00 0.00 C ATOM 225 CG GLU A 16 50.955 5.521 6.904 1.00 0.00 C ATOM 226 CD GLU A 16 51.174 6.164 5.534 1.00 0.00 C ATOM 227 OE1 GLU A 16 52.310 6.195 5.091 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.202 6.615 4.951 1.00 0.00 O ATOM 0 H GLU A 16 51.147 1.638 6.601 1.00 0.00 H new ATOM 0 HA GLU A 16 52.531 3.806 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.120 3.747 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.546 3.547 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.040 5.904 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.774 5.781 7.575 1.00 0.00 H new ATOM 235 N GLU A 17 53.070 3.792 8.591 1.00 0.00 N ATOM 236 CA GLU A 17 54.093 4.220 9.588 1.00 0.00 C ATOM 237 C GLU A 17 55.478 3.745 9.144 1.00 0.00 C ATOM 238 O GLU A 17 56.463 4.437 9.303 1.00 0.00 O ATOM 239 CB GLU A 17 53.686 3.541 10.896 1.00 0.00 C ATOM 240 CG GLU A 17 54.442 4.183 12.061 1.00 0.00 C ATOM 241 CD GLU A 17 53.820 3.735 13.385 1.00 0.00 C ATOM 242 OE1 GLU A 17 53.057 2.783 13.366 1.00 0.00 O ATOM 243 OE2 GLU A 17 54.117 4.351 14.395 1.00 0.00 O ATOM 0 H GLU A 17 52.208 3.414 8.985 1.00 0.00 H new ATOM 0 HA GLU A 17 54.142 5.304 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.611 3.637 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.907 2.475 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 17 55.494 3.898 12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.403 5.269 11.978 1.00 0.00 H new ATOM 250 N MET A 18 55.555 2.570 8.583 1.00 0.00 N ATOM 251 CA MET A 18 56.872 2.050 8.121 1.00 0.00 C ATOM 252 C MET A 18 57.490 3.019 7.111 1.00 0.00 C ATOM 253 O MET A 18 58.535 3.594 7.348 1.00 0.00 O ATOM 254 CB MET A 18 56.556 0.710 7.455 1.00 0.00 C ATOM 255 CG MET A 18 57.641 -0.307 7.815 1.00 0.00 C ATOM 256 SD MET A 18 56.955 -1.546 8.942 1.00 0.00 S ATOM 257 CE MET A 18 56.854 -0.488 10.407 1.00 0.00 C ATOM 0 H MET A 18 54.763 1.948 8.425 1.00 0.00 H new ATOM 0 HA MET A 18 57.586 1.940 8.937 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.581 0.349 7.783 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.502 0.833 6.373 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.017 -0.789 6.912 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.487 0.197 8.283 1.00 0.00 H new ATOM 0 HE1 MET A 18 56.585 -1.092 11.274 1.00 0.00 H new ATOM 0 HE2 MET A 18 57.820 -0.014 10.581 1.00 0.00 H new ATOM 0 HE3 MET A 18 56.096 0.280 10.250 1.00 0.00 H new ATOM 267 N ILE A 19 56.852 3.211 5.989 1.00 0.00 N ATOM 268 CA ILE A 19 57.403 4.150 4.971 1.00 0.00 C ATOM 269 C ILE A 19 57.870 5.437 5.660 1.00 0.00 C ATOM 270 O ILE A 19 59.015 5.829 5.553 1.00 0.00 O ATOM 271 CB ILE A 19 56.237 4.418 4.010 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.205 3.321 2.942 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.412 5.778 3.328 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.851 2.609 2.977 1.00 0.00 C ATOM 0 H ILE A 19 55.974 2.759 5.733 1.00 0.00 H new ATOM 0 HA ILE A 19 58.266 3.748 4.441 1.00 0.00 H new ATOM 0 HB ILE A 19 55.305 4.421 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.374 3.754 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 19 57.008 2.605 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.578 5.955 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.438 6.563 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.345 5.785 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.830 1.829 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.700 2.162 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.056 3.329 2.780 1.00 0.00 H new ATOM 286 N ALA A 20 56.995 6.093 6.373 1.00 0.00 N ATOM 287 CA ALA A 20 57.400 7.345 7.073 1.00 0.00 C ATOM 288 C ALA A 20 58.517 7.038 8.073 1.00 0.00 C ATOM 289 O ALA A 20 59.379 7.855 8.328 1.00 0.00 O ATOM 290 CB ALA A 20 56.143 7.824 7.799 1.00 0.00 C ATOM 0 H ALA A 20 56.021 5.817 6.501 1.00 0.00 H new ATOM 0 HA ALA A 20 57.779 8.102 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.363 8.745 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.352 8.010 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.816 7.059 8.504 1.00 0.00 H new ATOM 296 N GLU A 21 58.509 5.860 8.637 1.00 0.00 N ATOM 297 CA GLU A 21 59.572 5.494 9.614 1.00 0.00 C ATOM 298 C GLU A 21 60.905 5.304 8.887 1.00 0.00 C ATOM 299 O GLU A 21 61.939 5.756 9.336 1.00 0.00 O ATOM 300 CB GLU A 21 59.104 4.176 10.233 1.00 0.00 C ATOM 301 CG GLU A 21 60.203 3.618 11.138 1.00 0.00 C ATOM 302 CD GLU A 21 60.316 4.480 12.397 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.425 4.402 13.227 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.292 5.205 12.509 1.00 0.00 O ATOM 0 H GLU A 21 57.812 5.136 8.463 1.00 0.00 H new ATOM 0 HA GLU A 21 59.727 6.264 10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.192 4.336 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 21 58.865 3.458 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 59.976 2.587 11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.155 3.606 10.607 1.00 0.00 H new ATOM 311 N PHE A 22 60.886 4.638 7.764 1.00 0.00 N ATOM 312 CA PHE A 22 62.152 4.423 7.005 1.00 0.00 C ATOM 313 C PHE A 22 62.530 5.699 6.250 1.00 0.00 C ATOM 314 O PHE A 22 63.620 6.218 6.391 1.00 0.00 O ATOM 315 CB PHE A 22 61.839 3.295 6.019 1.00 0.00 C ATOM 316 CG PHE A 22 61.877 1.959 6.729 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.739 1.892 8.122 1.00 0.00 C ATOM 318 CD2 PHE A 22 62.049 0.785 5.987 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.774 0.651 8.769 1.00 0.00 C ATOM 320 CE2 PHE A 22 62.084 -0.455 6.635 1.00 0.00 C ATOM 321 CZ PHE A 22 61.947 -0.522 8.026 1.00 0.00 C ATOM 0 H PHE A 22 60.051 4.234 7.340 1.00 0.00 H new ATOM 0 HA PHE A 22 62.989 4.173 7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 22 60.856 3.452 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.562 3.303 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 22 61.606 2.797 8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 22 62.155 0.836 4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.667 0.599 9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 22 62.217 -1.360 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.975 -1.479 8.526 1.00 0.00 H new ATOM 331 N LYS A 23 61.634 6.211 5.452 1.00 0.00 N ATOM 332 CA LYS A 23 61.934 7.455 4.690 1.00 0.00 C ATOM 333 C LYS A 23 62.542 8.504 5.625 1.00 0.00 C ATOM 334 O LYS A 23 63.427 9.248 5.249 1.00 0.00 O ATOM 335 CB LYS A 23 60.578 7.917 4.151 1.00 0.00 C ATOM 336 CG LYS A 23 60.641 9.400 3.779 1.00 0.00 C ATOM 337 CD LYS A 23 59.740 10.198 4.722 1.00 0.00 C ATOM 338 CE LYS A 23 58.961 11.244 3.922 1.00 0.00 C ATOM 339 NZ LYS A 23 58.688 12.342 4.889 1.00 0.00 N ATOM 0 H LYS A 23 60.705 5.820 5.295 1.00 0.00 H new ATOM 0 HA LYS A 23 62.654 7.297 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 60.304 7.326 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.804 7.754 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 23 61.667 9.760 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.322 9.541 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 23 59.049 9.529 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.341 10.686 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.540 11.602 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.035 10.828 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.156 13.099 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.129 11.973 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 59.588 12.723 5.245 1.00 0.00 H new ATOM 353 N ALA A 24 62.078 8.566 6.843 1.00 0.00 N ATOM 354 CA ALA A 24 62.633 9.562 7.802 1.00 0.00 C ATOM 355 C ALA A 24 64.115 9.272 8.052 1.00 0.00 C ATOM 356 O ALA A 24 64.879 10.146 8.413 1.00 0.00 O ATOM 357 CB ALA A 24 61.824 9.372 9.084 1.00 0.00 C ATOM 0 H ALA A 24 61.339 7.970 7.215 1.00 0.00 H new ATOM 0 HA ALA A 24 62.564 10.584 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.174 10.072 9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.769 9.556 8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.951 8.352 9.446 1.00 0.00 H new ATOM 363 N ALA A 25 64.526 8.048 7.860 1.00 0.00 N ATOM 364 CA ALA A 25 65.958 7.696 8.084 1.00 0.00 C ATOM 365 C ALA A 25 66.744 7.841 6.777 1.00 0.00 C ATOM 366 O ALA A 25 67.868 8.303 6.766 1.00 0.00 O ATOM 367 CB ALA A 25 65.941 6.236 8.538 1.00 0.00 C ATOM 0 H ALA A 25 63.932 7.276 7.558 1.00 0.00 H new ATOM 0 HA ALA A 25 66.434 8.345 8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.961 5.901 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.357 6.147 9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.492 5.618 7.760 1.00 0.00 H new ATOM 373 N PHE A 26 66.159 7.453 5.677 1.00 0.00 N ATOM 374 CA PHE A 26 66.872 7.572 4.373 1.00 0.00 C ATOM 375 C PHE A 26 67.080 9.047 4.021 1.00 0.00 C ATOM 376 O PHE A 26 68.059 9.415 3.404 1.00 0.00 O ATOM 377 CB PHE A 26 65.951 6.902 3.354 1.00 0.00 C ATOM 378 CG PHE A 26 66.401 7.261 1.957 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.037 8.492 1.401 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.184 6.364 1.222 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.456 8.826 0.107 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.603 6.698 -0.071 1.00 0.00 C ATOM 383 CZ PHE A 26 67.239 7.929 -0.628 1.00 0.00 C ATOM 0 H PHE A 26 65.220 7.059 5.624 1.00 0.00 H new ATOM 0 HA PHE A 26 67.858 7.107 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.969 5.820 3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.922 7.225 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.433 9.184 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.465 5.414 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.175 9.776 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.207 6.006 -0.639 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.563 8.187 -1.626 1.00 0.00 H new ATOM 393 N ASP A 27 66.165 9.893 4.411 1.00 0.00 N ATOM 394 CA ASP A 27 66.312 11.343 4.100 1.00 0.00 C ATOM 395 C ASP A 27 67.498 11.929 4.869 1.00 0.00 C ATOM 396 O ASP A 27 67.894 13.057 4.654 1.00 0.00 O ATOM 397 CB ASP A 27 65.003 11.983 4.566 1.00 0.00 C ATOM 398 CG ASP A 27 63.868 11.563 3.632 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.162 11.126 2.531 1.00 0.00 O ATOM 400 OD2 ASP A 27 62.722 11.684 4.033 1.00 0.00 O ATOM 0 H ASP A 27 65.324 9.643 4.931 1.00 0.00 H new ATOM 0 HA ASP A 27 66.499 11.522 3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.780 11.676 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.099 13.069 4.573 1.00 0.00 H new ATOM 405 N MET A 28 68.068 11.170 5.765 1.00 0.00 N ATOM 406 CA MET A 28 69.228 11.684 6.547 1.00 0.00 C ATOM 407 C MET A 28 70.417 11.939 5.618 1.00 0.00 C ATOM 408 O MET A 28 71.292 12.727 5.917 1.00 0.00 O ATOM 409 CB MET A 28 69.560 10.572 7.543 1.00 0.00 C ATOM 410 CG MET A 28 68.337 10.281 8.414 1.00 0.00 C ATOM 411 SD MET A 28 68.371 11.346 9.877 1.00 0.00 S ATOM 412 CE MET A 28 69.748 10.528 10.720 1.00 0.00 C ATOM 0 H MET A 28 67.781 10.217 5.989 1.00 0.00 H new ATOM 0 HA MET A 28 69.003 12.626 7.047 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.862 9.671 7.010 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.402 10.869 8.168 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.423 10.454 7.846 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.332 9.233 8.714 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.563 10.519 11.794 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.839 9.504 10.359 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.672 11.068 10.515 1.00 0.00 H new ATOM 422 N PHE A 29 70.459 11.274 4.496 1.00 0.00 N ATOM 423 CA PHE A 29 71.599 11.475 3.554 1.00 0.00 C ATOM 424 C PHE A 29 71.097 12.039 2.224 1.00 0.00 C ATOM 425 O PHE A 29 71.796 12.028 1.231 1.00 0.00 O ATOM 426 CB PHE A 29 72.203 10.081 3.349 1.00 0.00 C ATOM 427 CG PHE A 29 72.196 9.322 4.655 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.274 9.438 5.541 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.105 8.508 4.981 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.259 8.739 6.753 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.092 7.808 6.193 1.00 0.00 C ATOM 432 CZ PHE A 29 72.169 7.923 7.079 1.00 0.00 C ATOM 0 H PHE A 29 69.756 10.602 4.190 1.00 0.00 H new ATOM 0 HA PHE A 29 72.331 12.183 3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.633 9.535 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.223 10.168 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.116 10.066 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.273 8.420 4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.089 8.829 7.438 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.251 7.179 6.444 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.159 7.382 8.014 1.00 0.00 H new ATOM 442 N ASP A 30 69.889 12.531 2.193 1.00 0.00 N ATOM 443 CA ASP A 30 69.347 13.094 0.923 1.00 0.00 C ATOM 444 C ASP A 30 69.662 14.590 0.828 1.00 0.00 C ATOM 445 O ASP A 30 69.202 15.274 -0.065 1.00 0.00 O ATOM 446 CB ASP A 30 67.837 12.867 1.000 1.00 0.00 C ATOM 447 CG ASP A 30 67.242 13.727 2.117 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.000 14.426 2.770 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.037 13.673 2.300 1.00 0.00 O ATOM 0 H ASP A 30 69.254 12.568 2.991 1.00 0.00 H new ATOM 0 HA ASP A 30 69.785 12.622 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.373 13.120 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.627 11.814 1.188 1.00 0.00 H new ATOM 490 N GLY A 35 66.098 12.357 -3.548 1.00 0.00 N ATOM 491 CA GLY A 35 65.453 11.162 -4.162 1.00 0.00 C ATOM 492 C GLY A 35 66.427 9.982 -4.142 1.00 0.00 C ATOM 493 O GLY A 35 66.037 8.842 -4.300 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.545 10.906 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 35 65.156 11.384 -5.187 1.00 0.00 H new ATOM 497 N ASP A 36 67.692 10.241 -3.948 1.00 0.00 N ATOM 498 CA ASP A 36 68.682 9.125 -3.920 1.00 0.00 C ATOM 499 C ASP A 36 70.014 9.604 -3.338 1.00 0.00 C ATOM 500 O ASP A 36 70.471 10.692 -3.620 1.00 0.00 O ATOM 501 CB ASP A 36 68.855 8.713 -5.382 1.00 0.00 C ATOM 502 CG ASP A 36 69.091 9.957 -6.241 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.230 11.028 -5.672 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.129 9.819 -7.451 1.00 0.00 O ATOM 0 H ASP A 36 68.082 11.173 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 36 68.347 8.296 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.696 8.026 -5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.968 8.182 -5.728 1.00 0.00 H new ATOM 509 N ILE A 37 70.643 8.793 -2.533 1.00 0.00 N ATOM 510 CA ILE A 37 71.949 9.196 -1.936 1.00 0.00 C ATOM 511 C ILE A 37 73.088 8.441 -2.624 1.00 0.00 C ATOM 512 O ILE A 37 72.863 7.484 -3.334 1.00 0.00 O ATOM 513 CB ILE A 37 71.852 8.804 -0.460 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.799 7.280 -0.336 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.584 9.408 0.146 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.526 6.894 1.119 1.00 0.00 C ATOM 0 H ILE A 37 70.309 7.868 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 37 72.152 10.260 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 37 72.726 9.181 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 37 71.018 6.879 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.742 6.845 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.515 9.129 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.622 10.494 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.711 9.032 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.488 5.808 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.323 7.282 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.572 7.317 1.435 1.00 0.00 H new ATOM 528 N SER A 38 74.305 8.859 -2.421 1.00 0.00 N ATOM 529 CA SER A 38 75.446 8.157 -3.075 1.00 0.00 C ATOM 530 C SER A 38 75.407 6.664 -2.741 1.00 0.00 C ATOM 531 O SER A 38 75.229 6.277 -1.604 1.00 0.00 O ATOM 532 CB SER A 38 76.699 8.806 -2.489 1.00 0.00 C ATOM 533 OG SER A 38 77.749 8.749 -3.446 1.00 0.00 O ATOM 0 H SER A 38 74.560 9.653 -1.833 1.00 0.00 H new ATOM 0 HA SER A 38 75.416 8.240 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.494 9.842 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.996 8.291 -1.575 1.00 0.00 H new ATOM 0 HG SER A 38 78.554 9.166 -3.074 1.00 0.00 H new ATOM 539 N THR A 39 75.565 5.823 -3.726 1.00 0.00 N ATOM 540 CA THR A 39 75.532 4.355 -3.471 1.00 0.00 C ATOM 541 C THR A 39 76.311 4.017 -2.196 1.00 0.00 C ATOM 542 O THR A 39 76.034 3.040 -1.529 1.00 0.00 O ATOM 543 CB THR A 39 76.203 3.727 -4.694 1.00 0.00 C ATOM 544 OG1 THR A 39 77.515 4.252 -4.833 1.00 0.00 O ATOM 545 CG2 THR A 39 75.387 4.048 -5.948 1.00 0.00 C ATOM 0 H THR A 39 75.716 6.090 -4.699 1.00 0.00 H new ATOM 0 HA THR A 39 74.517 3.985 -3.326 1.00 0.00 H new ATOM 0 HB THR A 39 76.255 2.646 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 39 78.002 3.739 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.866 3.600 -6.818 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.380 3.644 -5.840 1.00 0.00 H new ATOM 0 HG23 THR A 39 75.332 5.129 -6.080 1.00 0.00 H new ATOM 553 N LYS A 40 77.283 4.818 -1.851 1.00 0.00 N ATOM 554 CA LYS A 40 78.075 4.539 -0.619 1.00 0.00 C ATOM 555 C LYS A 40 77.208 4.746 0.626 1.00 0.00 C ATOM 556 O LYS A 40 77.585 4.387 1.723 1.00 0.00 O ATOM 557 CB LYS A 40 79.222 5.548 -0.645 1.00 0.00 C ATOM 558 CG LYS A 40 80.487 4.894 -0.083 1.00 0.00 C ATOM 559 CD LYS A 40 81.457 5.978 0.390 1.00 0.00 C ATOM 560 CE LYS A 40 82.739 5.915 -0.443 1.00 0.00 C ATOM 561 NZ LYS A 40 83.613 4.942 0.270 1.00 0.00 N ATOM 0 H LYS A 40 77.562 5.652 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 40 78.437 3.512 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.398 5.889 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.961 6.427 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.230 4.234 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.960 4.277 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.996 6.961 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.689 5.837 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.532 5.587 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.213 6.894 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.513 4.844 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.798 5.284 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.139 4.018 0.315 1.00 0.00 H new ATOM 575 N GLU A 41 76.049 5.320 0.462 1.00 0.00 N ATOM 576 CA GLU A 41 75.158 5.548 1.634 1.00 0.00 C ATOM 577 C GLU A 41 74.003 4.545 1.620 1.00 0.00 C ATOM 578 O GLU A 41 73.316 4.360 2.604 1.00 0.00 O ATOM 579 CB GLU A 41 74.637 6.976 1.465 1.00 0.00 C ATOM 580 CG GLU A 41 75.783 7.964 1.683 1.00 0.00 C ATOM 581 CD GLU A 41 75.246 9.232 2.346 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.156 9.249 3.562 1.00 0.00 O ATOM 583 OE2 GLU A 41 74.934 10.165 1.625 1.00 0.00 O ATOM 0 H GLU A 41 75.680 5.641 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 41 75.679 5.417 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 41 74.215 7.105 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.835 7.169 2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 41 76.552 7.512 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 41 76.251 8.210 0.730 1.00 0.00 H new ATOM 590 N LEU A 42 73.786 3.889 0.513 1.00 0.00 N ATOM 591 CA LEU A 42 72.678 2.895 0.449 1.00 0.00 C ATOM 592 C LEU A 42 72.738 1.979 1.673 1.00 0.00 C ATOM 593 O LEU A 42 71.739 1.706 2.307 1.00 0.00 O ATOM 594 CB LEU A 42 72.925 2.103 -0.836 1.00 0.00 C ATOM 595 CG LEU A 42 71.751 1.154 -1.086 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.449 1.096 -2.584 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.113 -0.245 -0.586 1.00 0.00 C ATOM 0 H LEU A 42 74.325 3.998 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 42 71.694 3.363 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.041 2.784 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.853 1.537 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 42 70.872 1.516 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.613 0.420 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.192 2.093 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.327 0.734 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.278 -0.922 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.992 -0.606 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.328 -0.205 0.482 1.00 0.00 H new ATOM 609 N GLY A 43 73.908 1.512 2.015 1.00 0.00 N ATOM 610 CA GLY A 43 74.035 0.624 3.204 1.00 0.00 C ATOM 611 C GLY A 43 73.869 1.462 4.472 1.00 0.00 C ATOM 612 O GLY A 43 73.371 0.995 5.477 1.00 0.00 O ATOM 0 H GLY A 43 74.780 1.707 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.279 -0.161 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.007 0.131 3.203 1.00 0.00 H new ATOM 616 N THR A 44 74.280 2.701 4.432 1.00 0.00 N ATOM 617 CA THR A 44 74.140 3.573 5.632 1.00 0.00 C ATOM 618 C THR A 44 72.663 3.697 6.014 1.00 0.00 C ATOM 619 O THR A 44 72.286 3.483 7.149 1.00 0.00 O ATOM 620 CB THR A 44 74.712 4.931 5.207 1.00 0.00 C ATOM 621 OG1 THR A 44 76.129 4.889 5.289 1.00 0.00 O ATOM 622 CG2 THR A 44 74.178 6.032 6.124 1.00 0.00 C ATOM 0 H THR A 44 74.707 3.146 3.620 1.00 0.00 H new ATOM 0 HA THR A 44 74.661 3.174 6.503 1.00 0.00 H new ATOM 0 HB THR A 44 74.410 5.145 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.498 5.755 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.589 6.993 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.090 6.064 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.474 5.824 7.152 1.00 0.00 H new ATOM 630 N VAL A 45 71.821 4.038 5.076 1.00 0.00 N ATOM 631 CA VAL A 45 70.371 4.168 5.392 1.00 0.00 C ATOM 632 C VAL A 45 69.864 2.876 6.038 1.00 0.00 C ATOM 633 O VAL A 45 69.186 2.897 7.046 1.00 0.00 O ATOM 634 CB VAL A 45 69.690 4.406 4.043 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.190 4.124 4.167 1.00 0.00 C ATOM 636 CG2 VAL A 45 69.900 5.861 3.618 1.00 0.00 C ATOM 0 H VAL A 45 72.074 4.232 4.107 1.00 0.00 H new ATOM 0 HA VAL A 45 70.166 4.977 6.093 1.00 0.00 H new ATOM 0 HB VAL A 45 70.123 3.740 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.707 4.294 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.038 3.088 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.755 4.789 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.416 6.033 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.467 6.525 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 45 70.967 6.063 3.528 1.00 0.00 H new ATOM 646 N MET A 46 70.194 1.748 5.466 1.00 0.00 N ATOM 647 CA MET A 46 69.738 0.455 6.050 1.00 0.00 C ATOM 648 C MET A 46 70.242 0.321 7.490 1.00 0.00 C ATOM 649 O MET A 46 69.531 -0.126 8.368 1.00 0.00 O ATOM 650 CB MET A 46 70.359 -0.624 5.162 1.00 0.00 C ATOM 651 CG MET A 46 69.644 -0.647 3.810 1.00 0.00 C ATOM 652 SD MET A 46 70.648 -1.562 2.613 1.00 0.00 S ATOM 653 CE MET A 46 70.149 -3.225 3.120 1.00 0.00 C ATOM 0 H MET A 46 70.759 1.667 4.621 1.00 0.00 H new ATOM 0 HA MET A 46 68.651 0.377 6.084 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.421 -0.426 5.020 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.278 -1.598 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.665 -1.114 3.912 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.476 0.371 3.458 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.879 -3.950 2.759 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.097 -3.274 4.208 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.170 -3.455 2.699 1.00 0.00 H new ATOM 663 N ARG A 47 71.464 0.707 7.737 1.00 0.00 N ATOM 664 CA ARG A 47 72.015 0.604 9.119 1.00 0.00 C ATOM 665 C ARG A 47 71.459 1.730 9.994 1.00 0.00 C ATOM 666 O ARG A 47 71.137 1.531 11.148 1.00 0.00 O ATOM 667 CB ARG A 47 73.527 0.755 8.952 1.00 0.00 C ATOM 668 CG ARG A 47 74.177 -0.629 8.903 1.00 0.00 C ATOM 669 CD ARG A 47 75.364 -0.602 7.938 1.00 0.00 C ATOM 670 NE ARG A 47 76.179 -1.796 8.297 1.00 0.00 N ATOM 671 CZ ARG A 47 77.252 -1.657 9.025 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.170 -1.711 10.327 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.409 -1.462 8.453 1.00 0.00 N ATOM 0 H ARG A 47 72.105 1.089 7.042 1.00 0.00 H new ATOM 0 HA ARG A 47 71.748 -0.336 9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.749 1.305 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.939 1.333 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.511 -0.921 9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.449 -1.373 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.031 -0.649 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.940 0.317 8.047 1.00 0.00 H new ATOM 0 HE ARG A 47 75.898 -2.722 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.266 -1.862 10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.010 -1.602 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.474 -1.418 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.248 -1.353 9.023 1.00 0.00 H new ATOM 687 N MET A 48 71.345 2.911 9.452 1.00 0.00 N ATOM 688 CA MET A 48 70.811 4.051 10.250 1.00 0.00 C ATOM 689 C MET A 48 69.354 3.790 10.641 1.00 0.00 C ATOM 690 O MET A 48 68.777 4.506 11.436 1.00 0.00 O ATOM 691 CB MET A 48 70.909 5.262 9.322 1.00 0.00 C ATOM 692 CG MET A 48 70.861 6.547 10.151 1.00 0.00 C ATOM 693 SD MET A 48 72.279 6.594 11.274 1.00 0.00 S ATOM 694 CE MET A 48 71.566 7.724 12.495 1.00 0.00 C ATOM 0 H MET A 48 71.599 3.136 8.490 1.00 0.00 H new ATOM 0 HA MET A 48 71.364 4.201 11.177 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.836 5.221 8.750 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.090 5.250 8.603 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.875 7.417 9.494 1.00 0.00 H new ATOM 0 HG3 MET A 48 69.932 6.591 10.719 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.197 7.745 13.384 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.504 8.726 12.071 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.567 7.383 12.767 1.00 0.00 H new ATOM 704 N LEU A 49 68.753 2.772 10.089 1.00 0.00 N ATOM 705 CA LEU A 49 67.332 2.470 10.429 1.00 0.00 C ATOM 706 C LEU A 49 67.263 1.443 11.564 1.00 0.00 C ATOM 707 O LEU A 49 66.489 1.583 12.491 1.00 0.00 O ATOM 708 CB LEU A 49 66.732 1.893 9.147 1.00 0.00 C ATOM 709 CG LEU A 49 65.902 2.967 8.443 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.556 3.326 7.108 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.491 2.433 8.189 1.00 0.00 C ATOM 0 H LEU A 49 69.183 2.136 9.418 1.00 0.00 H new ATOM 0 HA LEU A 49 66.793 3.354 10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.526 1.542 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.107 1.031 9.381 1.00 0.00 H new ATOM 0 HG LEU A 49 65.850 3.855 9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.964 4.092 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.562 3.705 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 66.609 2.438 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.898 3.197 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.546 1.545 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.023 2.176 9.139 1.00 0.00 H new ATOM 723 N GLY A 50 68.066 0.416 11.503 1.00 0.00 N ATOM 724 CA GLY A 50 68.039 -0.612 12.583 1.00 0.00 C ATOM 725 C GLY A 50 68.501 -1.960 12.027 1.00 0.00 C ATOM 726 O GLY A 50 68.856 -2.857 12.767 1.00 0.00 O ATOM 0 H GLY A 50 68.738 0.244 10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.686 -0.306 13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.031 -0.701 12.987 1.00 0.00 H new ATOM 730 N GLN A 51 68.500 -2.117 10.731 1.00 0.00 N ATOM 731 CA GLN A 51 68.941 -3.414 10.139 1.00 0.00 C ATOM 732 C GLN A 51 70.469 -3.462 10.056 1.00 0.00 C ATOM 733 O GLN A 51 71.156 -2.619 10.599 1.00 0.00 O ATOM 734 CB GLN A 51 68.332 -3.445 8.736 1.00 0.00 C ATOM 735 CG GLN A 51 66.882 -2.958 8.793 1.00 0.00 C ATOM 736 CD GLN A 51 66.786 -1.568 8.163 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.231 -0.595 8.738 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.220 -1.432 6.995 1.00 0.00 N ATOM 0 H GLN A 51 68.214 -1.406 10.058 1.00 0.00 H new ATOM 0 HA GLN A 51 68.623 -4.267 10.739 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.912 -2.813 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.370 -4.458 8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.232 -3.655 8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.539 -2.925 9.827 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.846 -2.248 6.511 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.152 -0.509 6.566 1.00 0.00 H new ATOM 747 N ASN A 52 71.005 -4.442 9.382 1.00 0.00 N ATOM 748 CA ASN A 52 72.488 -4.540 9.266 1.00 0.00 C ATOM 749 C ASN A 52 72.870 -5.423 8.076 1.00 0.00 C ATOM 750 O ASN A 52 73.079 -6.611 8.226 1.00 0.00 O ATOM 751 CB ASN A 52 72.944 -5.178 10.579 1.00 0.00 C ATOM 752 CG ASN A 52 73.476 -4.091 11.515 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.335 -3.318 11.141 1.00 0.00 O ATOM 754 ND2 ASN A 52 72.996 -3.998 12.725 1.00 0.00 N ATOM 0 H ASN A 52 70.482 -5.178 8.907 1.00 0.00 H new ATOM 0 HA ASN A 52 72.955 -3.569 9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.112 -5.703 11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.720 -5.919 10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.342 -3.276 13.357 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.275 -4.647 13.039 1.00 0.00 H new ATOM 761 N PRO A 53 72.955 -4.807 6.929 1.00 0.00 N ATOM 762 CA PRO A 53 73.324 -5.543 5.696 1.00 0.00 C ATOM 763 C PRO A 53 74.811 -5.910 5.726 1.00 0.00 C ATOM 764 O PRO A 53 75.657 -5.082 6.002 1.00 0.00 O ATOM 765 CB PRO A 53 73.029 -4.543 4.581 1.00 0.00 C ATOM 766 CG PRO A 53 73.118 -3.200 5.232 1.00 0.00 C ATOM 767 CD PRO A 53 72.721 -3.381 6.675 1.00 0.00 C ATOM 0 HA PRO A 53 72.781 -6.480 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.748 -4.636 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.040 -4.709 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.130 -2.802 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.458 -2.487 4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.320 -2.754 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.678 -3.112 6.839 1.00 0.00 H new ATOM 775 N THR A 54 75.138 -7.142 5.451 1.00 0.00 N ATOM 776 CA THR A 54 76.571 -7.556 5.472 1.00 0.00 C ATOM 777 C THR A 54 77.379 -6.718 4.478 1.00 0.00 C ATOM 778 O THR A 54 76.938 -6.441 3.381 1.00 0.00 O ATOM 779 CB THR A 54 76.567 -9.027 5.054 1.00 0.00 C ATOM 780 OG1 THR A 54 75.810 -9.177 3.861 1.00 0.00 O ATOM 781 CG2 THR A 54 75.946 -9.875 6.164 1.00 0.00 C ATOM 0 H THR A 54 74.476 -7.881 5.213 1.00 0.00 H new ATOM 0 HA THR A 54 77.026 -7.413 6.452 1.00 0.00 H new ATOM 0 HB THR A 54 77.591 -9.357 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.808 -10.119 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.944 -10.923 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.528 -9.761 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.922 -9.547 6.343 1.00 0.00 H new ATOM 789 N LYS A 55 78.562 -6.315 4.854 1.00 0.00 N ATOM 790 CA LYS A 55 79.398 -5.497 3.928 1.00 0.00 C ATOM 791 C LYS A 55 79.443 -6.150 2.545 1.00 0.00 C ATOM 792 O LYS A 55 79.210 -5.512 1.539 1.00 0.00 O ATOM 793 CB LYS A 55 80.790 -5.477 4.561 1.00 0.00 C ATOM 794 CG LYS A 55 81.520 -4.198 4.150 1.00 0.00 C ATOM 795 CD LYS A 55 83.023 -4.367 4.382 1.00 0.00 C ATOM 796 CE LYS A 55 83.783 -3.967 3.117 1.00 0.00 C ATOM 797 NZ LYS A 55 83.644 -5.134 2.201 1.00 0.00 N ATOM 0 H LYS A 55 78.986 -6.516 5.760 1.00 0.00 H new ATOM 0 HA LYS A 55 79.001 -4.491 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.708 -5.528 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.358 -6.351 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.326 -3.978 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.146 -3.352 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.344 -3.750 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.247 -5.401 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.364 -3.064 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.830 -3.758 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.586 -5.444 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.172 -5.914 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.077 -4.860 1.373 1.00 0.00 H new ATOM 811 N GLU A 56 79.739 -7.420 2.488 1.00 0.00 N ATOM 812 CA GLU A 56 79.797 -8.113 1.169 1.00 0.00 C ATOM 813 C GLU A 56 78.505 -7.863 0.386 1.00 0.00 C ATOM 814 O GLU A 56 78.512 -7.759 -0.824 1.00 0.00 O ATOM 815 CB GLU A 56 79.939 -9.599 1.505 1.00 0.00 C ATOM 816 CG GLU A 56 81.379 -9.891 1.933 1.00 0.00 C ATOM 817 CD GLU A 56 81.378 -10.539 3.319 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.194 -9.819 4.287 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.562 -11.742 3.389 1.00 0.00 O ATOM 0 H GLU A 56 79.943 -8.007 3.297 1.00 0.00 H new ATOM 0 HA GLU A 56 80.620 -7.755 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.249 -9.869 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.676 -10.205 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.857 -10.553 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.958 -8.968 1.952 1.00 0.00 H new ATOM 826 N GLU A 57 77.397 -7.764 1.068 1.00 0.00 N ATOM 827 CA GLU A 57 76.107 -7.519 0.362 1.00 0.00 C ATOM 828 C GLU A 57 76.060 -6.081 -0.160 1.00 0.00 C ATOM 829 O GLU A 57 75.625 -5.826 -1.265 1.00 0.00 O ATOM 830 CB GLU A 57 75.026 -7.744 1.419 1.00 0.00 C ATOM 831 CG GLU A 57 74.525 -9.187 1.338 1.00 0.00 C ATOM 832 CD GLU A 57 73.563 -9.329 0.158 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.381 -9.097 0.351 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.024 -9.667 -0.920 1.00 0.00 O ATOM 0 H GLU A 57 77.329 -7.842 2.083 1.00 0.00 H new ATOM 0 HA GLU A 57 75.974 -8.175 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.426 -7.542 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.199 -7.051 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.367 -9.869 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.022 -9.461 2.265 1.00 0.00 H new ATOM 841 N LEU A 58 76.508 -5.140 0.625 1.00 0.00 N ATOM 842 CA LEU A 58 76.490 -3.720 0.172 1.00 0.00 C ATOM 843 C LEU A 58 77.307 -3.568 -1.114 1.00 0.00 C ATOM 844 O LEU A 58 76.865 -2.971 -2.075 1.00 0.00 O ATOM 845 CB LEU A 58 77.137 -2.931 1.312 1.00 0.00 C ATOM 846 CG LEU A 58 76.266 -3.031 2.566 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.801 -2.080 3.637 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.827 -2.646 2.216 1.00 0.00 C ATOM 0 H LEU A 58 76.886 -5.293 1.560 1.00 0.00 H new ATOM 0 HA LEU A 58 75.481 -3.368 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.134 -3.321 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.257 -1.887 1.023 1.00 0.00 H new ATOM 0 HG LEU A 58 76.289 -4.053 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.180 -2.152 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.827 -2.352 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.778 -1.058 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.204 -2.716 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.805 -1.624 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.445 -3.323 1.452 1.00 0.00 H new ATOM 860 N ASP A 59 78.497 -4.103 -1.137 1.00 0.00 N ATOM 861 CA ASP A 59 79.341 -3.989 -2.362 1.00 0.00 C ATOM 862 C ASP A 59 78.644 -4.661 -3.548 1.00 0.00 C ATOM 863 O ASP A 59 78.722 -4.200 -4.668 1.00 0.00 O ATOM 864 CB ASP A 59 80.639 -4.721 -2.017 1.00 0.00 C ATOM 865 CG ASP A 59 81.403 -3.933 -0.952 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.323 -2.715 -0.973 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.053 -4.559 -0.132 1.00 0.00 O ATOM 0 H ASP A 59 78.921 -4.613 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 59 79.521 -2.952 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.417 -5.724 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.253 -4.835 -2.910 1.00 0.00 H new ATOM 872 N ALA A 60 77.963 -5.748 -3.309 1.00 0.00 N ATOM 873 CA ALA A 60 77.262 -6.449 -4.423 1.00 0.00 C ATOM 874 C ALA A 60 75.977 -5.703 -4.792 1.00 0.00 C ATOM 875 O ALA A 60 75.688 -5.482 -5.951 1.00 0.00 O ATOM 876 CB ALA A 60 76.940 -7.840 -3.875 1.00 0.00 C ATOM 0 H ALA A 60 77.861 -6.181 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 60 77.869 -6.499 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.421 -8.421 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.866 -8.346 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.303 -7.746 -2.995 1.00 0.00 H new ATOM 882 N ILE A 61 75.204 -5.311 -3.815 1.00 0.00 N ATOM 883 CA ILE A 61 73.941 -4.579 -4.117 1.00 0.00 C ATOM 884 C ILE A 61 74.260 -3.230 -4.766 1.00 0.00 C ATOM 885 O ILE A 61 73.769 -2.911 -5.831 1.00 0.00 O ATOM 886 CB ILE A 61 73.264 -4.375 -2.762 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.654 -5.699 -2.294 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.160 -3.325 -2.898 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.867 -5.855 -0.787 1.00 0.00 C ATOM 0 H ILE A 61 75.392 -5.465 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 61 73.302 -5.125 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 61 74.001 -4.036 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.589 -5.723 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.115 -6.532 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.676 -3.179 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.593 -2.383 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.423 -3.664 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.433 -6.798 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.935 -5.850 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.385 -5.029 -0.264 1.00 0.00 H new ATOM 901 N ILE A 62 75.083 -2.438 -4.135 1.00 0.00 N ATOM 902 CA ILE A 62 75.433 -1.112 -4.718 1.00 0.00 C ATOM 903 C ILE A 62 75.713 -1.257 -6.216 1.00 0.00 C ATOM 904 O ILE A 62 74.932 -0.835 -7.046 1.00 0.00 O ATOM 905 CB ILE A 62 76.695 -0.675 -3.974 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.324 -0.260 -2.547 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.333 0.510 -4.699 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.588 -0.198 -1.687 1.00 0.00 C ATOM 0 H ILE A 62 75.528 -2.651 -3.242 1.00 0.00 H new ATOM 0 HA ILE A 62 74.628 -0.385 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 62 77.403 -1.503 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.830 0.712 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.617 -0.973 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.233 0.820 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.595 0.216 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.627 1.340 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.323 0.097 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.063 -1.179 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.279 0.532 -2.108 1.00 0.00 H new ATOM 920 N GLU A 63 76.817 -1.856 -6.570 1.00 0.00 N ATOM 921 CA GLU A 63 77.139 -2.030 -8.015 1.00 0.00 C ATOM 922 C GLU A 63 75.928 -2.607 -8.752 1.00 0.00 C ATOM 923 O GLU A 63 75.657 -2.266 -9.887 1.00 0.00 O ATOM 924 CB GLU A 63 78.306 -3.016 -8.046 1.00 0.00 C ATOM 925 CG GLU A 63 79.295 -2.606 -9.141 1.00 0.00 C ATOM 926 CD GLU A 63 80.267 -1.563 -8.587 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.873 -0.414 -8.476 1.00 0.00 O ATOM 928 OE2 GLU A 63 81.390 -1.932 -8.284 1.00 0.00 O ATOM 0 H GLU A 63 77.509 -2.232 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 63 77.392 -1.088 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.806 -3.034 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.938 -4.025 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.844 -3.478 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.757 -2.199 -9.997 1.00 0.00 H new ATOM 935 N GLU A 64 75.195 -3.477 -8.112 1.00 0.00 N ATOM 936 CA GLU A 64 73.999 -4.075 -8.769 1.00 0.00 C ATOM 937 C GLU A 64 72.920 -3.005 -8.966 1.00 0.00 C ATOM 938 O GLU A 64 72.311 -2.907 -10.011 1.00 0.00 O ATOM 939 CB GLU A 64 73.521 -5.161 -7.797 1.00 0.00 C ATOM 940 CG GLU A 64 72.037 -5.462 -8.034 1.00 0.00 C ATOM 941 CD GLU A 64 71.697 -6.838 -7.459 1.00 0.00 C ATOM 942 OE1 GLU A 64 72.000 -7.065 -6.299 1.00 0.00 O ATOM 943 OE2 GLU A 64 71.141 -7.642 -8.188 1.00 0.00 O ATOM 0 H GLU A 64 75.374 -3.800 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 64 74.221 -4.483 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 64 74.111 -6.068 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.674 -4.833 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.420 -4.697 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.816 -5.437 -9.101 1.00 0.00 H new ATOM 950 N VAL A 65 72.678 -2.208 -7.962 1.00 0.00 N ATOM 951 CA VAL A 65 71.637 -1.150 -8.085 1.00 0.00 C ATOM 952 C VAL A 65 72.245 0.137 -8.646 1.00 0.00 C ATOM 953 O VAL A 65 71.543 1.071 -8.979 1.00 0.00 O ATOM 954 CB VAL A 65 71.135 -0.930 -6.658 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.791 -2.278 -6.024 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.228 -0.245 -5.835 1.00 0.00 C ATOM 0 H VAL A 65 73.156 -2.244 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 65 70.834 -1.437 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 65 70.245 -0.301 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.433 -2.121 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.014 -2.768 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.681 -2.908 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.872 -0.087 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.117 -0.875 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.475 0.716 -6.286 1.00 0.00 H new ATOM 966 N ASP A 66 73.545 0.198 -8.755 1.00 0.00 N ATOM 967 CA ASP A 66 74.186 1.430 -9.296 1.00 0.00 C ATOM 968 C ASP A 66 73.883 1.575 -10.786 1.00 0.00 C ATOM 969 O ASP A 66 74.705 1.270 -11.626 1.00 0.00 O ATOM 970 CB ASP A 66 75.687 1.233 -9.087 1.00 0.00 C ATOM 971 CG ASP A 66 76.241 2.387 -8.249 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.252 3.501 -8.748 1.00 0.00 O ATOM 973 OD2 ASP A 66 76.644 2.139 -7.126 1.00 0.00 O ATOM 0 H ASP A 66 74.188 -0.549 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 66 73.817 2.328 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.874 0.283 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.197 1.191 -10.050 1.00 0.00 H new ATOM 1030 N THR A 72 72.973 6.947 -8.467 1.00 0.00 N ATOM 1031 CA THR A 72 73.127 5.922 -7.394 1.00 0.00 C ATOM 1032 C THR A 72 71.869 5.042 -7.304 1.00 0.00 C ATOM 1033 O THR A 72 71.529 4.343 -8.239 1.00 0.00 O ATOM 1034 CB THR A 72 73.330 6.729 -6.110 1.00 0.00 C ATOM 1035 OG1 THR A 72 73.109 5.886 -4.987 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.344 7.899 -6.076 1.00 0.00 C ATOM 0 HA THR A 72 73.959 5.244 -7.582 1.00 0.00 H new ATOM 0 HB THR A 72 74.348 7.118 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.953 6.436 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.491 8.472 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 72 72.514 8.543 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 72 71.324 7.516 -6.105 1.00 0.00 H new ATOM 1044 N ILE A 73 71.176 5.059 -6.191 1.00 0.00 N ATOM 1045 CA ILE A 73 69.954 4.213 -6.062 1.00 0.00 C ATOM 1046 C ILE A 73 68.727 5.088 -5.798 1.00 0.00 C ATOM 1047 O ILE A 73 68.826 6.151 -5.220 1.00 0.00 O ATOM 1048 CB ILE A 73 70.230 3.310 -4.860 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.964 2.524 -4.509 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.645 4.167 -3.663 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.890 1.264 -5.373 1.00 0.00 C ATOM 0 H ILE A 73 71.405 5.621 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 73 69.749 3.643 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 73 71.033 2.615 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.972 2.254 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.082 3.143 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.842 3.523 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.547 4.727 -3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.842 4.863 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 73 67.989 0.704 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 73 68.862 1.546 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.766 0.643 -5.187 1.00 0.00 H new ATOM 1063 N ASP A 74 67.571 4.644 -6.207 1.00 0.00 N ATOM 1064 CA ASP A 74 66.340 5.450 -5.966 1.00 0.00 C ATOM 1065 C ASP A 74 65.581 4.884 -4.766 1.00 0.00 C ATOM 1066 O ASP A 74 65.440 3.685 -4.624 1.00 0.00 O ATOM 1067 CB ASP A 74 65.513 5.306 -7.245 1.00 0.00 C ATOM 1068 CG ASP A 74 65.335 3.823 -7.574 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.306 3.204 -7.975 1.00 0.00 O ATOM 1070 OD2 ASP A 74 64.229 3.332 -7.420 1.00 0.00 O ATOM 0 H ASP A 74 67.425 3.761 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 74 66.560 6.494 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 74 64.540 5.780 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 74 66.009 5.815 -8.071 1.00 0.00 H new ATOM 1075 N PHE A 75 65.095 5.731 -3.897 1.00 0.00 N ATOM 1076 CA PHE A 75 64.350 5.228 -2.706 1.00 0.00 C ATOM 1077 C PHE A 75 63.428 4.078 -3.111 1.00 0.00 C ATOM 1078 O PHE A 75 63.377 3.052 -2.461 1.00 0.00 O ATOM 1079 CB PHE A 75 63.531 6.419 -2.208 1.00 0.00 C ATOM 1080 CG PHE A 75 62.904 6.068 -0.881 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.659 5.429 -0.841 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.569 6.376 0.312 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.079 5.100 0.390 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.989 6.047 1.543 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.744 5.408 1.582 1.00 0.00 C ATOM 0 H PHE A 75 65.181 6.745 -3.960 1.00 0.00 H new ATOM 0 HA PHE A 75 65.019 4.847 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 75 64.169 7.296 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.758 6.673 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.146 5.190 -1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.530 6.868 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.118 4.608 0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.502 6.286 2.463 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.297 5.153 2.532 1.00 0.00 H new ATOM 1095 N GLU A 76 62.702 4.239 -4.182 1.00 0.00 N ATOM 1096 CA GLU A 76 61.786 3.154 -4.632 1.00 0.00 C ATOM 1097 C GLU A 76 62.555 1.837 -4.768 1.00 0.00 C ATOM 1098 O GLU A 76 62.457 0.964 -3.931 1.00 0.00 O ATOM 1099 CB GLU A 76 61.269 3.614 -5.994 1.00 0.00 C ATOM 1100 CG GLU A 76 59.839 4.136 -5.847 1.00 0.00 C ATOM 1101 CD GLU A 76 59.440 4.893 -7.115 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.981 4.581 -8.164 1.00 0.00 O ATOM 1103 OE2 GLU A 76 58.601 5.773 -7.016 1.00 0.00 O ATOM 0 H GLU A 76 62.703 5.076 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 76 60.975 2.978 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.914 4.396 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 61.294 2.786 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.153 3.306 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.768 4.793 -4.980 1.00 0.00 H new ATOM 1110 N GLU A 77 63.319 1.687 -5.813 1.00 0.00 N ATOM 1111 CA GLU A 77 64.089 0.424 -5.996 1.00 0.00 C ATOM 1112 C GLU A 77 64.837 0.065 -4.709 1.00 0.00 C ATOM 1113 O GLU A 77 65.157 -1.082 -4.467 1.00 0.00 O ATOM 1114 CB GLU A 77 65.077 0.722 -7.124 1.00 0.00 C ATOM 1115 CG GLU A 77 65.811 -0.563 -7.514 1.00 0.00 C ATOM 1116 CD GLU A 77 65.300 -1.053 -8.870 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.348 -1.817 -8.881 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.869 -0.656 -9.874 1.00 0.00 O ATOM 0 H GLU A 77 63.444 2.383 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 77 63.442 -0.421 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.548 1.127 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.793 1.479 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.884 -0.380 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.652 -1.329 -6.755 1.00 0.00 H new ATOM 1125 N PHE A 78 65.119 1.033 -3.882 1.00 0.00 N ATOM 1126 CA PHE A 78 65.846 0.740 -2.614 1.00 0.00 C ATOM 1127 C PHE A 78 64.907 0.073 -1.603 1.00 0.00 C ATOM 1128 O PHE A 78 65.342 -0.641 -0.721 1.00 0.00 O ATOM 1129 CB PHE A 78 66.318 2.102 -2.103 1.00 0.00 C ATOM 1130 CG PHE A 78 66.815 1.967 -0.684 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.045 1.348 -0.427 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.046 2.462 0.376 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.505 1.226 0.890 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.507 2.340 1.692 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.736 1.722 1.949 1.00 0.00 C ATOM 0 H PHE A 78 64.878 2.013 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 78 66.679 0.054 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.113 2.486 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.500 2.821 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.638 0.965 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.097 2.938 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.453 0.749 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.914 2.723 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.091 1.628 2.965 1.00 0.00 H new ATOM 1145 N LEU A 79 63.625 0.296 -1.722 1.00 0.00 N ATOM 1146 CA LEU A 79 62.669 -0.333 -0.763 1.00 0.00 C ATOM 1147 C LEU A 79 63.057 -1.791 -0.513 1.00 0.00 C ATOM 1148 O LEU A 79 62.984 -2.284 0.595 1.00 0.00 O ATOM 1149 CB LEU A 79 61.299 -0.258 -1.443 1.00 0.00 C ATOM 1150 CG LEU A 79 60.519 0.941 -0.902 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.457 0.868 0.625 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.220 2.234 -1.322 1.00 0.00 C ATOM 0 H LEU A 79 63.199 0.884 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 79 62.670 0.173 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.423 -0.167 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.742 -1.178 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 79 59.507 0.926 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.901 1.724 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 79 59.958 -0.053 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.468 0.882 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.666 3.090 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.233 2.247 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.262 2.288 -2.410 1.00 0.00 H new ATOM 1164 N VAL A 80 63.469 -2.486 -1.537 1.00 0.00 N ATOM 1165 CA VAL A 80 63.862 -3.913 -1.359 1.00 0.00 C ATOM 1166 C VAL A 80 64.989 -4.022 -0.328 1.00 0.00 C ATOM 1167 O VAL A 80 65.053 -4.962 0.437 1.00 0.00 O ATOM 1168 CB VAL A 80 64.348 -4.366 -2.736 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.224 -4.191 -3.759 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.552 -3.520 -3.154 1.00 0.00 C ATOM 0 H VAL A 80 63.551 -2.128 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 80 63.038 -4.528 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 80 64.637 -5.416 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.572 -4.514 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.365 -4.793 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.934 -3.141 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.900 -3.842 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.261 -2.470 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.354 -3.644 -2.426 1.00 0.00 H new ATOM 1180 N MET A 81 65.876 -3.064 -0.301 1.00 0.00 N ATOM 1181 CA MET A 81 66.999 -3.113 0.680 1.00 0.00 C ATOM 1182 C MET A 81 66.468 -2.947 2.106 1.00 0.00 C ATOM 1183 O MET A 81 66.983 -3.526 3.042 1.00 0.00 O ATOM 1184 CB MET A 81 67.900 -1.936 0.306 1.00 0.00 C ATOM 1185 CG MET A 81 68.936 -2.391 -0.723 1.00 0.00 C ATOM 1186 SD MET A 81 70.138 -3.483 0.076 1.00 0.00 S ATOM 1187 CE MET A 81 69.406 -5.050 -0.455 1.00 0.00 C ATOM 0 H MET A 81 65.872 -2.250 -0.915 1.00 0.00 H new ATOM 0 HA MET A 81 67.531 -4.064 0.649 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.301 -1.121 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.400 -1.551 1.195 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.444 -2.912 -1.544 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.443 -1.526 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.127 -5.636 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.519 -4.852 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.130 -5.607 -1.049 1.00 0.00 H new ATOM 1197 N MET A 82 65.443 -2.158 2.280 1.00 0.00 N ATOM 1198 CA MET A 82 64.885 -1.954 3.647 1.00 0.00 C ATOM 1199 C MET A 82 64.055 -3.168 4.072 1.00 0.00 C ATOM 1200 O MET A 82 64.077 -3.576 5.216 1.00 0.00 O ATOM 1201 CB MET A 82 63.994 -0.717 3.531 1.00 0.00 C ATOM 1202 CG MET A 82 64.790 0.434 2.913 1.00 0.00 C ATOM 1203 SD MET A 82 63.660 1.538 2.029 1.00 0.00 S ATOM 1204 CE MET A 82 63.692 2.901 3.217 1.00 0.00 C ATOM 0 H MET A 82 64.968 -1.647 1.536 1.00 0.00 H new ATOM 0 HA MET A 82 65.669 -1.828 4.394 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.122 -0.941 2.916 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.624 -0.429 4.515 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.319 0.984 3.691 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.544 0.044 2.229 1.00 0.00 H new ATOM 0 HE1 MET A 82 62.686 3.304 3.336 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.053 2.537 4.179 1.00 0.00 H new ATOM 0 HE3 MET A 82 64.356 3.685 2.853 1.00 0.00 H new ATOM 1214 N VAL A 83 63.317 -3.743 3.163 1.00 0.00 N ATOM 1215 CA VAL A 83 62.480 -4.926 3.519 1.00 0.00 C ATOM 1216 C VAL A 83 63.310 -6.211 3.467 1.00 0.00 C ATOM 1217 O VAL A 83 63.414 -6.934 4.438 1.00 0.00 O ATOM 1218 CB VAL A 83 61.379 -4.959 2.461 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.565 -6.247 2.611 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.458 -3.752 2.645 1.00 0.00 C ATOM 0 H VAL A 83 63.257 -3.446 2.189 1.00 0.00 H new ATOM 0 HA VAL A 83 62.080 -4.854 4.530 1.00 0.00 H new ATOM 0 HB VAL A 83 61.829 -4.926 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 83 59.779 -6.271 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.220 -7.109 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.116 -6.280 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.672 -3.775 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.009 -3.785 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.036 -2.834 2.539 1.00 0.00 H new ATOM 1230 N ARG A 84 63.893 -6.505 2.339 1.00 0.00 N ATOM 1231 CA ARG A 84 64.708 -7.748 2.219 1.00 0.00 C ATOM 1232 C ARG A 84 65.624 -7.910 3.437 1.00 0.00 C ATOM 1233 O ARG A 84 65.807 -8.998 3.945 1.00 0.00 O ATOM 1234 CB ARG A 84 65.533 -7.564 0.945 1.00 0.00 C ATOM 1235 CG ARG A 84 64.598 -7.469 -0.266 1.00 0.00 C ATOM 1236 CD ARG A 84 64.118 -8.871 -0.648 1.00 0.00 C ATOM 1237 NE ARG A 84 65.161 -9.396 -1.572 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.724 -10.549 -1.333 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.008 -10.896 -0.108 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.004 -11.354 -2.321 1.00 0.00 N ATOM 0 H ARG A 84 63.841 -5.938 1.493 1.00 0.00 H new ATOM 0 HA ARG A 84 64.086 -8.642 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.140 -6.661 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.220 -8.401 0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.745 -6.832 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.118 -7.009 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.014 -9.506 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.142 -8.836 -1.133 1.00 0.00 H new ATOM 0 HE ARG A 84 65.435 -8.855 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.790 -10.266 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 84 66.448 -11.797 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.783 -11.082 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.444 -12.255 -2.135 1.00 0.00 H new ATOM 1254 N GLN A 85 66.204 -6.840 3.908 1.00 0.00 N ATOM 1255 CA GLN A 85 67.108 -6.946 5.090 1.00 0.00 C ATOM 1256 C GLN A 85 66.290 -7.139 6.370 1.00 0.00 C ATOM 1257 O GLN A 85 66.404 -8.143 7.045 1.00 0.00 O ATOM 1258 CB GLN A 85 67.866 -5.619 5.139 1.00 0.00 C ATOM 1259 CG GLN A 85 68.912 -5.674 6.254 1.00 0.00 C ATOM 1260 CD GLN A 85 69.948 -6.752 5.928 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.127 -7.111 4.782 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.641 -7.287 6.895 1.00 0.00 N ATOM 0 H GLN A 85 66.092 -5.900 3.528 1.00 0.00 H new ATOM 0 HA GLN A 85 67.783 -7.798 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.349 -5.428 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.172 -4.797 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.400 -4.705 6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.432 -5.893 7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.491 -6.985 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.333 -8.007 6.688 1.00 0.00 H new ATOM 1271 N MET A 86 65.470 -6.183 6.714 1.00 0.00 N ATOM 1272 CA MET A 86 64.654 -6.316 7.955 1.00 0.00 C ATOM 1273 C MET A 86 63.792 -7.578 7.892 1.00 0.00 C ATOM 1274 O MET A 86 63.296 -8.051 8.894 1.00 0.00 O ATOM 1275 CB MET A 86 63.778 -5.067 7.994 1.00 0.00 C ATOM 1276 CG MET A 86 64.185 -4.201 9.186 1.00 0.00 C ATOM 1277 SD MET A 86 62.985 -4.412 10.526 1.00 0.00 S ATOM 1278 CE MET A 86 61.632 -3.475 9.771 1.00 0.00 C ATOM 0 H MET A 86 65.330 -5.318 6.191 1.00 0.00 H new ATOM 0 HA MET A 86 65.275 -6.403 8.847 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.886 -4.504 7.067 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.728 -5.348 8.076 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.181 -4.481 9.529 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.233 -3.154 8.888 1.00 0.00 H new ATOM 0 HE1 MET A 86 60.687 -3.983 9.962 1.00 0.00 H new ATOM 0 HE2 MET A 86 61.599 -2.474 10.200 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.795 -3.403 8.696 1.00 0.00 H new ATOM 1288 N LYS A 87 63.612 -8.134 6.725 1.00 0.00 N ATOM 1289 CA LYS A 87 62.786 -9.369 6.619 1.00 0.00 C ATOM 1290 C LYS A 87 63.247 -10.384 7.664 1.00 0.00 C ATOM 1291 O LYS A 87 62.461 -11.126 8.218 1.00 0.00 O ATOM 1292 CB LYS A 87 63.037 -9.895 5.205 1.00 0.00 C ATOM 1293 CG LYS A 87 62.021 -9.276 4.244 1.00 0.00 C ATOM 1294 CD LYS A 87 60.745 -10.121 4.235 1.00 0.00 C ATOM 1295 CE LYS A 87 60.361 -10.450 2.792 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.407 -11.401 2.323 1.00 0.00 N ATOM 0 H LYS A 87 63.998 -7.789 5.846 1.00 0.00 H new ATOM 0 HA LYS A 87 61.726 -9.183 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.050 -9.649 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 87 62.953 -10.982 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.791 -8.255 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.441 -9.222 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 87 60.901 -11.040 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 87 59.935 -9.580 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.368 -10.898 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.339 -9.552 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 60.974 -12.116 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 62.136 -10.882 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 61.843 -11.870 3.143 1.00 0.00 H new ATOM 1310 N GLU A 88 64.520 -10.411 7.943 1.00 0.00 N ATOM 1311 CA GLU A 88 65.045 -11.365 8.961 1.00 0.00 C ATOM 1312 C GLU A 88 65.227 -10.645 10.299 1.00 0.00 C ATOM 1313 O GLU A 88 65.078 -11.228 11.355 1.00 0.00 O ATOM 1314 CB GLU A 88 66.395 -11.829 8.412 1.00 0.00 C ATOM 1315 CG GLU A 88 66.170 -12.829 7.275 1.00 0.00 C ATOM 1316 CD GLU A 88 65.438 -14.060 7.814 1.00 0.00 C ATOM 1317 OE1 GLU A 88 66.004 -14.739 8.655 1.00 0.00 O ATOM 1318 OE2 GLU A 88 64.325 -14.299 7.378 1.00 0.00 O ATOM 0 H GLU A 88 65.222 -9.812 7.509 1.00 0.00 H new ATOM 0 HA GLU A 88 64.370 -12.203 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 88 66.965 -10.974 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 88 66.982 -12.291 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 88 65.587 -12.366 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.126 -13.122 6.840 1.00 0.00 H new ATOM 1325 N ASP A 89 65.547 -9.380 10.259 1.00 0.00 N ATOM 1326 CA ASP A 89 65.739 -8.614 11.526 1.00 0.00 C ATOM 1327 C ASP A 89 64.381 -8.242 12.128 1.00 0.00 C ATOM 1328 O ASP A 89 64.262 -8.000 13.312 1.00 0.00 O ATOM 1329 CB ASP A 89 66.506 -7.358 11.115 1.00 0.00 C ATOM 1330 CG ASP A 89 67.138 -6.718 12.353 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.928 -7.238 13.436 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.820 -5.719 12.195 1.00 0.00 O ATOM 0 H ASP A 89 65.684 -8.842 9.403 1.00 0.00 H new ATOM 0 HA ASP A 89 66.274 -9.189 12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.279 -7.612 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.833 -6.651 10.630 1.00 0.00 H new ATOM 1337 N ALA A 90 63.358 -8.193 11.320 1.00 0.00 N ATOM 1338 CA ALA A 90 62.009 -7.835 11.846 1.00 0.00 C ATOM 1339 C ALA A 90 61.343 -9.062 12.475 1.00 0.00 C ATOM 1340 O ALA A 90 61.774 -10.164 12.178 1.00 0.00 O ATOM 1341 CB ALA A 90 61.220 -7.364 10.624 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.412 -8.877 13.241 1.00 0.00 O ATOM 0 H ALA A 90 63.397 -8.385 10.319 1.00 0.00 H new ATOM 0 HA ALA A 90 62.058 -7.069 12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.212 -7.081 10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.719 -6.504 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.165 -8.171 9.893 1.00 0.00 H new