USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 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 51 GLN :FLIP amide:sc= -6.67! C(o=-10!,f=-7!) USER MOD Set 1.2: A 86 MET CE :methyl -142:sc= -0.289 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.478 K(o=-0.48,f=-2.9!) USER MOD Single : A 7 GLN : amide:sc= -1.86! C(o=-1.9!,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -172:sc= -0.0119 (180deg=-0.184) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.431) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 146:sc= -7.49! (180deg=-13.4!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.019) USER MOD Single : A 54 THR OG1 : rot 166:sc= -2.44 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 32:sc= -2.49! USER MOD Single : A 81 MET CE :methyl 163:sc= -3.01 (180deg=-3.81) USER MOD Single : A 82 MET CE :methyl -125:sc= -5.74! (180deg=-12.3!) USER MOD Single : A 85 GLN : amide:sc= -0.765 X(o=-0.77,f=-0.46) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.049 -7.054 -10.022 1.00 0.00 N ATOM 25 CA MET A 3 64.219 -5.959 -9.027 1.00 0.00 C ATOM 26 C MET A 3 63.170 -4.872 -9.263 1.00 0.00 C ATOM 27 O MET A 3 62.417 -4.518 -8.378 1.00 0.00 O ATOM 28 CB MET A 3 65.623 -5.416 -9.284 1.00 0.00 C ATOM 29 CG MET A 3 66.642 -6.227 -8.480 1.00 0.00 C ATOM 30 SD MET A 3 66.473 -7.985 -8.883 1.00 0.00 S ATOM 31 CE MET A 3 68.183 -8.265 -9.402 1.00 0.00 C ATOM 0 HA MET A 3 64.096 -6.302 -8.000 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.856 -5.472 -10.347 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.675 -4.365 -9.001 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.653 -5.887 -8.706 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.485 -6.071 -7.413 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.307 -9.306 -9.699 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.418 -7.616 -10.246 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.856 -8.042 -8.574 1.00 0.00 H new ATOM 41 N THR A 4 63.113 -4.342 -10.453 1.00 0.00 N ATOM 42 CA THR A 4 62.109 -3.280 -10.750 1.00 0.00 C ATOM 43 C THR A 4 60.714 -3.754 -10.340 1.00 0.00 C ATOM 44 O THR A 4 59.893 -2.983 -9.883 1.00 0.00 O ATOM 45 CB THR A 4 62.185 -3.073 -12.263 1.00 0.00 C ATOM 46 OG1 THR A 4 63.449 -2.520 -12.600 1.00 0.00 O ATOM 47 CG2 THR A 4 61.074 -2.121 -12.708 1.00 0.00 C ATOM 0 H THR A 4 63.718 -4.598 -11.233 1.00 0.00 H new ATOM 0 HA THR A 4 62.306 -2.356 -10.206 1.00 0.00 H new ATOM 0 HB THR A 4 62.061 -4.031 -12.767 1.00 0.00 H new ATOM 0 HG1 THR A 4 63.500 -2.388 -13.570 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.130 -1.975 -13.787 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.105 -2.547 -12.450 1.00 0.00 H new ATOM 0 HG23 THR A 4 61.194 -1.161 -12.205 1.00 0.00 H new ATOM 55 N ASP A 5 60.441 -5.020 -10.497 1.00 0.00 N ATOM 56 CA ASP A 5 59.101 -5.548 -10.113 1.00 0.00 C ATOM 57 C ASP A 5 59.016 -5.701 -8.592 1.00 0.00 C ATOM 58 O ASP A 5 57.959 -5.591 -8.004 1.00 0.00 O ATOM 59 CB ASP A 5 58.999 -6.911 -10.797 1.00 0.00 C ATOM 60 CG ASP A 5 57.782 -7.664 -10.257 1.00 0.00 C ATOM 61 OD1 ASP A 5 56.758 -7.031 -10.060 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.894 -8.861 -10.049 1.00 0.00 O ATOM 0 H ASP A 5 61.088 -5.712 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 5 58.291 -4.883 -10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 5 58.911 -6.783 -11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.906 -7.488 -10.618 1.00 0.00 H new ATOM 67 N GLN A 6 60.125 -5.953 -7.952 1.00 0.00 N ATOM 68 CA GLN A 6 60.112 -6.111 -6.469 1.00 0.00 C ATOM 69 C GLN A 6 59.667 -4.804 -5.807 1.00 0.00 C ATOM 70 O GLN A 6 59.275 -4.779 -4.657 1.00 0.00 O ATOM 71 CB GLN A 6 61.556 -6.440 -6.091 1.00 0.00 C ATOM 72 CG GLN A 6 61.578 -7.656 -5.163 1.00 0.00 C ATOM 73 CD GLN A 6 63.026 -8.072 -4.900 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.742 -7.402 -4.183 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.489 -9.159 -5.454 1.00 0.00 N ATOM 0 H GLN A 6 61.040 -6.056 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 6 59.421 -6.887 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.140 -6.644 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.018 -5.585 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.080 -7.418 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.028 -8.481 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 6 62.887 -9.721 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.453 -9.447 -5.285 1.00 0.00 H new ATOM 84 N GLN A 7 59.722 -3.717 -6.528 1.00 0.00 N ATOM 85 CA GLN A 7 59.302 -2.411 -5.945 1.00 0.00 C ATOM 86 C GLN A 7 57.865 -2.504 -5.426 1.00 0.00 C ATOM 87 O GLN A 7 57.419 -1.680 -4.652 1.00 0.00 O ATOM 88 CB GLN A 7 59.392 -1.414 -7.101 1.00 0.00 C ATOM 89 CG GLN A 7 59.786 -0.037 -6.561 1.00 0.00 C ATOM 90 CD GLN A 7 59.043 1.048 -7.343 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.655 1.867 -8.000 1.00 0.00 O ATOM 92 NE2 GLN A 7 57.740 1.091 -7.299 1.00 0.00 N ATOM 0 H GLN A 7 60.040 -3.677 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 7 59.926 -2.114 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.127 -1.753 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 7 58.434 -1.353 -7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.543 0.033 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 7 60.863 0.107 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 7 57.225 0.404 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.236 1.812 -7.816 1.00 0.00 H new ATOM 101 N ALA A 8 57.135 -3.501 -5.846 1.00 0.00 N ATOM 102 CA ALA A 8 55.728 -3.646 -5.375 1.00 0.00 C ATOM 103 C ALA A 8 55.686 -4.456 -4.076 1.00 0.00 C ATOM 104 O ALA A 8 54.982 -4.118 -3.145 1.00 0.00 O ATOM 105 CB ALA A 8 55.008 -4.394 -6.497 1.00 0.00 C ATOM 0 H ALA A 8 57.452 -4.221 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 8 55.262 -2.683 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 8 53.963 -4.540 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.065 -3.813 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.482 -5.364 -6.650 1.00 0.00 H new ATOM 111 N GLU A 9 56.436 -5.521 -4.006 1.00 0.00 N ATOM 112 CA GLU A 9 56.437 -6.352 -2.768 1.00 0.00 C ATOM 113 C GLU A 9 57.463 -5.810 -1.768 1.00 0.00 C ATOM 114 O GLU A 9 57.424 -6.120 -0.594 1.00 0.00 O ATOM 115 CB GLU A 9 56.829 -7.755 -3.233 1.00 0.00 C ATOM 116 CG GLU A 9 55.718 -8.742 -2.867 1.00 0.00 C ATOM 117 CD GLU A 9 56.318 -10.135 -2.669 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.528 -10.256 -2.764 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.557 -11.057 -2.426 1.00 0.00 O ATOM 0 H GLU A 9 57.048 -5.852 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 9 55.470 -6.345 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.994 -7.760 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.766 -8.056 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.215 -8.418 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.965 -8.767 -3.655 1.00 0.00 H new ATOM 126 N ALA A 10 58.380 -5.001 -2.225 1.00 0.00 N ATOM 127 CA ALA A 10 59.408 -4.440 -1.301 1.00 0.00 C ATOM 128 C ALA A 10 58.769 -3.414 -0.363 1.00 0.00 C ATOM 129 O ALA A 10 59.049 -3.378 0.819 1.00 0.00 O ATOM 130 CB ALA A 10 60.433 -3.765 -2.211 1.00 0.00 C ATOM 0 H ALA A 10 58.462 -4.704 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 10 59.862 -5.207 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.225 -3.326 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.862 -4.504 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 10 59.945 -2.982 -2.791 1.00 0.00 H new ATOM 136 N ARG A 11 57.905 -2.586 -0.879 1.00 0.00 N ATOM 137 CA ARG A 11 57.240 -1.568 -0.008 1.00 0.00 C ATOM 138 C ARG A 11 55.831 -2.034 0.363 1.00 0.00 C ATOM 139 O ARG A 11 55.066 -1.310 0.967 1.00 0.00 O ATOM 140 CB ARG A 11 57.187 -0.261 -0.815 1.00 0.00 C ATOM 141 CG ARG A 11 56.970 -0.541 -2.306 1.00 0.00 C ATOM 142 CD ARG A 11 55.751 -1.447 -2.495 1.00 0.00 C ATOM 143 NE ARG A 11 54.608 -0.677 -1.930 1.00 0.00 N ATOM 144 CZ ARG A 11 53.717 -0.151 -2.727 1.00 0.00 C ATOM 145 NH1 ARG A 11 53.045 -0.913 -3.546 1.00 0.00 N ATOM 146 NH2 ARG A 11 53.498 1.135 -2.702 1.00 0.00 N ATOM 0 H ARG A 11 57.629 -2.567 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 11 57.790 -1.423 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.381 0.369 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.116 0.293 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.824 0.396 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 11 57.856 -1.016 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 11 55.590 -1.677 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 11 55.881 -2.397 -1.977 1.00 0.00 H new ATOM 0 HE ARG A 11 54.521 -0.560 -0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 11 53.216 -1.918 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 11 52.349 -0.503 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.023 1.729 -2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 11 52.802 1.546 -3.324 1.00 0.00 H new ATOM 160 N ALA A 12 55.490 -3.243 0.013 1.00 0.00 N ATOM 161 CA ALA A 12 54.136 -3.765 0.355 1.00 0.00 C ATOM 162 C ALA A 12 54.166 -4.391 1.750 1.00 0.00 C ATOM 163 O ALA A 12 53.163 -4.467 2.433 1.00 0.00 O ATOM 164 CB ALA A 12 53.838 -4.824 -0.704 1.00 0.00 C ATOM 0 H ALA A 12 56.090 -3.893 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 12 53.376 -2.984 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.855 -5.256 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.853 -4.365 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.594 -5.608 -0.657 1.00 0.00 H new ATOM 170 N PHE A 13 55.316 -4.837 2.178 1.00 0.00 N ATOM 171 CA PHE A 13 55.423 -5.455 3.530 1.00 0.00 C ATOM 172 C PHE A 13 55.604 -4.360 4.588 1.00 0.00 C ATOM 173 O PHE A 13 55.444 -4.592 5.770 1.00 0.00 O ATOM 174 CB PHE A 13 56.662 -6.359 3.447 1.00 0.00 C ATOM 175 CG PHE A 13 57.273 -6.539 4.818 1.00 0.00 C ATOM 176 CD1 PHE A 13 56.723 -7.461 5.717 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.390 -5.780 5.189 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.290 -7.625 6.986 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.956 -5.944 6.458 1.00 0.00 C ATOM 180 CZ PHE A 13 58.407 -6.865 7.357 1.00 0.00 C ATOM 0 H PHE A 13 56.187 -4.800 1.649 1.00 0.00 H new ATOM 0 HA PHE A 13 54.534 -6.018 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 13 56.386 -7.329 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.395 -5.921 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 13 55.861 -8.046 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.814 -5.069 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 13 56.867 -8.337 7.679 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.818 -5.359 6.744 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.844 -6.990 8.337 1.00 0.00 H new ATOM 190 N LEU A 14 55.937 -3.170 4.171 1.00 0.00 N ATOM 191 CA LEU A 14 56.129 -2.064 5.151 1.00 0.00 C ATOM 192 C LEU A 14 54.852 -1.226 5.260 1.00 0.00 C ATOM 193 O LEU A 14 54.477 -0.527 4.339 1.00 0.00 O ATOM 194 CB LEU A 14 57.275 -1.225 4.582 1.00 0.00 C ATOM 195 CG LEU A 14 58.496 -2.118 4.355 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.536 -1.363 3.525 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.105 -2.503 5.706 1.00 0.00 C ATOM 0 H LEU A 14 56.084 -2.915 3.194 1.00 0.00 H new ATOM 0 HA LEU A 14 56.352 -2.433 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.970 -0.762 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.525 -0.417 5.270 1.00 0.00 H new ATOM 0 HG LEU A 14 58.191 -3.019 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.405 -2.000 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.104 -1.089 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.841 -0.461 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.975 -3.139 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.408 -1.602 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.366 -3.043 6.298 1.00 0.00 H new ATOM 209 N SER A 15 54.184 -1.290 6.378 1.00 0.00 N ATOM 210 CA SER A 15 52.933 -0.495 6.547 1.00 0.00 C ATOM 211 C SER A 15 53.222 0.993 6.340 1.00 0.00 C ATOM 212 O SER A 15 54.358 1.400 6.197 1.00 0.00 O ATOM 213 CB SER A 15 52.487 -0.760 7.984 1.00 0.00 C ATOM 214 OG SER A 15 51.245 -1.453 7.970 1.00 0.00 O ATOM 0 H SER A 15 54.449 -1.858 7.183 1.00 0.00 H new ATOM 0 HA SER A 15 52.165 -0.773 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.240 -1.349 8.508 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.386 0.181 8.525 1.00 0.00 H new ATOM 0 HG SER A 15 50.957 -1.626 8.890 1.00 0.00 H new ATOM 220 N GLU A 16 52.204 1.809 6.321 1.00 0.00 N ATOM 221 CA GLU A 16 52.424 3.271 6.123 1.00 0.00 C ATOM 222 C GLU A 16 53.334 3.821 7.223 1.00 0.00 C ATOM 223 O GLU A 16 54.170 4.670 6.984 1.00 0.00 O ATOM 224 CB GLU A 16 51.032 3.897 6.215 1.00 0.00 C ATOM 225 CG GLU A 16 51.160 5.422 6.234 1.00 0.00 C ATOM 226 CD GLU A 16 49.802 6.042 6.569 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.158 5.554 7.483 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.428 6.996 5.905 1.00 0.00 O ATOM 0 H GLU A 16 51.230 1.528 6.434 1.00 0.00 H new ATOM 0 HA GLU A 16 52.907 3.491 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.423 3.583 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.525 3.552 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.903 5.726 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.507 5.781 5.265 1.00 0.00 H new ATOM 235 N GLU A 17 53.179 3.345 8.429 1.00 0.00 N ATOM 236 CA GLU A 17 54.036 3.841 9.544 1.00 0.00 C ATOM 237 C GLU A 17 55.509 3.554 9.242 1.00 0.00 C ATOM 238 O GLU A 17 56.376 4.361 9.512 1.00 0.00 O ATOM 239 CB GLU A 17 53.578 3.060 10.774 1.00 0.00 C ATOM 240 CG GLU A 17 52.051 3.099 10.865 1.00 0.00 C ATOM 241 CD GLU A 17 51.501 1.672 10.822 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.547 1.010 11.845 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.046 1.265 9.766 1.00 0.00 O ATOM 0 H GLU A 17 52.496 2.634 8.690 1.00 0.00 H new ATOM 0 HA GLU A 17 53.945 4.917 9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.923 2.028 10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 54.018 3.489 11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.743 3.591 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.642 3.683 10.041 1.00 0.00 H new ATOM 250 N MET A 18 55.797 2.410 8.685 1.00 0.00 N ATOM 251 CA MET A 18 57.214 2.073 8.368 1.00 0.00 C ATOM 252 C MET A 18 57.664 2.819 7.110 1.00 0.00 C ATOM 253 O MET A 18 58.690 3.470 7.097 1.00 0.00 O ATOM 254 CB MET A 18 57.217 0.563 8.127 1.00 0.00 C ATOM 255 CG MET A 18 58.658 0.050 8.124 1.00 0.00 C ATOM 256 SD MET A 18 58.927 -1.000 9.574 1.00 0.00 S ATOM 257 CE MET A 18 59.011 0.326 10.803 1.00 0.00 C ATOM 0 H MET A 18 55.114 1.695 8.436 1.00 0.00 H new ATOM 0 HA MET A 18 57.897 2.359 9.168 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.642 0.059 8.904 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.736 0.335 7.176 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.853 -0.514 7.212 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.354 0.889 8.135 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.316 -0.088 11.764 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.737 1.073 10.483 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.031 0.792 10.903 1.00 0.00 H new ATOM 267 N ILE A 19 56.904 2.733 6.052 1.00 0.00 N ATOM 268 CA ILE A 19 57.291 3.441 4.799 1.00 0.00 C ATOM 269 C ILE A 19 57.601 4.909 5.099 1.00 0.00 C ATOM 270 O ILE A 19 58.700 5.380 4.878 1.00 0.00 O ATOM 271 CB ILE A 19 56.072 3.326 3.883 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.982 1.901 3.333 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.213 4.313 2.723 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.766 1.786 2.410 1.00 0.00 C ATOM 0 H ILE A 19 56.033 2.204 6.001 1.00 0.00 H new ATOM 0 HA ILE A 19 58.183 3.014 4.342 1.00 0.00 H new ATOM 0 HB ILE A 19 55.168 3.555 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.892 1.653 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.898 1.188 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.345 4.232 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.279 5.328 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.116 4.083 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.702 0.771 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.860 2.017 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.869 2.488 1.583 1.00 0.00 H new ATOM 286 N ALA A 20 56.644 5.636 5.607 1.00 0.00 N ATOM 287 CA ALA A 20 56.888 7.071 5.925 1.00 0.00 C ATOM 288 C ALA A 20 58.044 7.198 6.920 1.00 0.00 C ATOM 289 O ALA A 20 58.769 8.173 6.925 1.00 0.00 O ATOM 290 CB ALA A 20 55.584 7.566 6.550 1.00 0.00 C ATOM 0 H ALA A 20 55.704 5.299 5.815 1.00 0.00 H new ATOM 0 HA ALA A 20 57.161 7.651 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.683 8.619 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.769 7.446 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.368 6.987 7.448 1.00 0.00 H new ATOM 296 N GLU A 21 58.221 6.216 7.761 1.00 0.00 N ATOM 297 CA GLU A 21 59.331 6.276 8.755 1.00 0.00 C ATOM 298 C GLU A 21 60.683 6.188 8.039 1.00 0.00 C ATOM 299 O GLU A 21 61.594 6.941 8.319 1.00 0.00 O ATOM 300 CB GLU A 21 59.121 5.058 9.657 1.00 0.00 C ATOM 301 CG GLU A 21 60.301 4.929 10.622 1.00 0.00 C ATOM 302 CD GLU A 21 59.965 5.639 11.935 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.917 6.258 12.000 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.764 5.551 12.854 1.00 0.00 O ATOM 0 H GLU A 21 57.645 5.375 7.803 1.00 0.00 H new ATOM 0 HA GLU A 21 59.330 7.207 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.191 5.162 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.031 4.155 9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.518 3.877 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.196 5.365 10.179 1.00 0.00 H new ATOM 311 N PHE A 22 60.817 5.274 7.117 1.00 0.00 N ATOM 312 CA PHE A 22 62.108 5.140 6.382 1.00 0.00 C ATOM 313 C PHE A 22 62.440 6.447 5.660 1.00 0.00 C ATOM 314 O PHE A 22 63.591 6.794 5.478 1.00 0.00 O ATOM 315 CB PHE A 22 61.874 4.011 5.373 1.00 0.00 C ATOM 316 CG PHE A 22 61.729 2.685 6.093 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.810 2.621 7.492 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.512 1.515 5.354 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.675 1.391 8.147 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.377 0.285 6.011 1.00 0.00 C ATOM 321 CZ PHE A 22 61.458 0.224 7.407 1.00 0.00 C ATOM 0 H PHE A 22 60.089 4.615 6.841 1.00 0.00 H new ATOM 0 HA PHE A 22 62.944 4.924 7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 22 60.977 4.216 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.707 3.963 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 22 61.977 3.522 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.449 1.561 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.738 1.343 9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.210 -0.616 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.353 -0.724 7.913 1.00 0.00 H new ATOM 331 N LYS A 23 61.440 7.177 5.245 1.00 0.00 N ATOM 332 CA LYS A 23 61.697 8.463 4.534 1.00 0.00 C ATOM 333 C LYS A 23 62.618 9.356 5.371 1.00 0.00 C ATOM 334 O LYS A 23 63.802 9.456 5.113 1.00 0.00 O ATOM 335 CB LYS A 23 60.320 9.109 4.379 1.00 0.00 C ATOM 336 CG LYS A 23 59.475 8.282 3.408 1.00 0.00 C ATOM 337 CD LYS A 23 60.013 8.456 1.987 1.00 0.00 C ATOM 338 CE LYS A 23 59.441 9.739 1.378 1.00 0.00 C ATOM 339 NZ LYS A 23 59.440 9.499 -0.091 1.00 0.00 N ATOM 0 H LYS A 23 60.456 6.939 5.368 1.00 0.00 H new ATOM 0 HA LYS A 23 62.189 8.313 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.824 9.171 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.425 10.129 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.501 7.230 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.433 8.599 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.102 8.502 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.739 7.597 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.434 9.937 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.051 10.605 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.061 10.335 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.412 9.321 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.846 8.673 -0.307 1.00 0.00 H new ATOM 353 N ALA A 24 62.083 10.006 6.368 1.00 0.00 N ATOM 354 CA ALA A 24 62.923 10.895 7.221 1.00 0.00 C ATOM 355 C ALA A 24 64.275 10.236 7.510 1.00 0.00 C ATOM 356 O ALA A 24 65.281 10.901 7.663 1.00 0.00 O ATOM 357 CB ALA A 24 62.126 11.068 8.515 1.00 0.00 C ATOM 0 H ALA A 24 61.098 9.960 6.630 1.00 0.00 H new ATOM 0 HA ALA A 24 63.134 11.849 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.678 11.712 9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.161 11.521 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.970 10.094 8.979 1.00 0.00 H new ATOM 363 N ALA A 25 64.307 8.934 7.583 1.00 0.00 N ATOM 364 CA ALA A 25 65.594 8.234 7.859 1.00 0.00 C ATOM 365 C ALA A 25 66.443 8.167 6.587 1.00 0.00 C ATOM 366 O ALA A 25 67.638 8.389 6.611 1.00 0.00 O ATOM 367 CB ALA A 25 65.192 6.830 8.311 1.00 0.00 C ATOM 0 H ALA A 25 63.498 8.324 7.464 1.00 0.00 H new ATOM 0 HA ALA A 25 66.191 8.749 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.087 6.249 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.572 6.899 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.630 6.339 7.517 1.00 0.00 H new ATOM 373 N PHE A 26 65.833 7.860 5.475 1.00 0.00 N ATOM 374 CA PHE A 26 66.599 7.774 4.199 1.00 0.00 C ATOM 375 C PHE A 26 67.062 9.167 3.758 1.00 0.00 C ATOM 376 O PHE A 26 68.153 9.338 3.250 1.00 0.00 O ATOM 377 CB PHE A 26 65.611 7.193 3.188 1.00 0.00 C ATOM 378 CG PHE A 26 66.164 7.353 1.792 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.120 8.602 1.162 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.719 6.252 1.129 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.632 8.751 -0.132 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.232 6.401 -0.165 1.00 0.00 C ATOM 383 CZ PHE A 26 67.188 7.650 -0.795 1.00 0.00 C ATOM 0 H PHE A 26 64.835 7.665 5.395 1.00 0.00 H new ATOM 0 HA PHE A 26 67.495 7.162 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.434 6.139 3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.650 7.701 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.691 9.451 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.751 5.288 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.598 9.714 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.662 5.553 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.583 7.765 -1.793 1.00 0.00 H new ATOM 393 N ASP A 27 66.239 10.164 3.944 1.00 0.00 N ATOM 394 CA ASP A 27 66.630 11.543 3.529 1.00 0.00 C ATOM 395 C ASP A 27 67.728 12.089 4.448 1.00 0.00 C ATOM 396 O ASP A 27 68.234 13.175 4.246 1.00 0.00 O ATOM 397 CB ASP A 27 65.353 12.372 3.671 1.00 0.00 C ATOM 398 CG ASP A 27 64.773 12.657 2.284 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.545 12.719 1.342 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.566 12.808 2.188 1.00 0.00 O ATOM 0 H ASP A 27 65.313 10.084 4.365 1.00 0.00 H new ATOM 0 HA ASP A 27 67.028 11.570 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.624 11.836 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.570 13.308 4.186 1.00 0.00 H new ATOM 405 N MET A 28 68.100 11.347 5.455 1.00 0.00 N ATOM 406 CA MET A 28 69.163 11.829 6.383 1.00 0.00 C ATOM 407 C MET A 28 70.511 11.896 5.661 1.00 0.00 C ATOM 408 O MET A 28 71.460 12.472 6.154 1.00 0.00 O ATOM 409 CB MET A 28 69.213 10.790 7.504 1.00 0.00 C ATOM 410 CG MET A 28 67.958 10.911 8.369 1.00 0.00 C ATOM 411 SD MET A 28 68.417 10.805 10.116 1.00 0.00 S ATOM 412 CE MET A 28 68.235 12.564 10.504 1.00 0.00 C ATOM 0 H MET A 28 67.715 10.429 5.675 1.00 0.00 H new ATOM 0 HA MET A 28 68.954 12.830 6.760 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.281 9.787 7.082 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.104 10.940 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.457 11.858 8.171 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.253 10.118 8.118 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.474 12.732 11.554 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.913 13.146 9.880 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.208 12.875 10.312 1.00 0.00 H new ATOM 422 N PHE A 29 70.609 11.302 4.504 1.00 0.00 N ATOM 423 CA PHE A 29 71.906 11.326 3.763 1.00 0.00 C ATOM 424 C PHE A 29 71.718 11.946 2.377 1.00 0.00 C ATOM 425 O PHE A 29 72.658 12.101 1.623 1.00 0.00 O ATOM 426 CB PHE A 29 72.333 9.856 3.643 1.00 0.00 C ATOM 427 CG PHE A 29 71.918 9.101 4.885 1.00 0.00 C ATOM 428 CD1 PHE A 29 72.744 9.098 6.015 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.700 8.414 4.905 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.348 8.407 7.167 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.306 7.723 6.054 1.00 0.00 C ATOM 432 CZ PHE A 29 71.129 7.719 7.186 1.00 0.00 C ATOM 0 H PHE A 29 69.851 10.802 4.039 1.00 0.00 H new ATOM 0 HA PHE A 29 72.658 11.925 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.876 9.405 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.413 9.791 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.685 9.628 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.064 8.417 4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 29 72.983 8.405 8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.366 7.192 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 29 70.824 7.185 8.074 1.00 0.00 H new ATOM 442 N ASP A 30 70.511 12.307 2.034 1.00 0.00 N ATOM 443 CA ASP A 30 70.271 12.919 0.696 1.00 0.00 C ATOM 444 C ASP A 30 70.952 14.288 0.616 1.00 0.00 C ATOM 445 O ASP A 30 70.324 15.315 0.775 1.00 0.00 O ATOM 446 CB ASP A 30 68.753 13.067 0.592 1.00 0.00 C ATOM 447 CG ASP A 30 68.203 12.028 -0.386 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.978 11.525 -1.183 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.017 11.752 -0.320 1.00 0.00 O ATOM 0 H ASP A 30 69.683 12.205 2.621 1.00 0.00 H new ATOM 0 HA ASP A 30 70.675 12.313 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.296 12.936 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.498 14.071 0.254 1.00 0.00 H new ATOM 490 N GLY A 35 66.283 12.014 -4.025 1.00 0.00 N ATOM 491 CA GLY A 35 65.647 10.713 -3.673 1.00 0.00 C ATOM 492 C GLY A 35 66.684 9.593 -3.769 1.00 0.00 C ATOM 493 O GLY A 35 66.349 8.432 -3.880 1.00 0.00 O ATOM 0 HA2 GLY A 35 65.238 10.758 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.814 10.510 -4.346 1.00 0.00 H new ATOM 497 N ASP A 36 67.944 9.934 -3.728 1.00 0.00 N ATOM 498 CA ASP A 36 69.001 8.886 -3.818 1.00 0.00 C ATOM 499 C ASP A 36 70.333 9.428 -3.295 1.00 0.00 C ATOM 500 O ASP A 36 70.828 10.436 -3.757 1.00 0.00 O ATOM 501 CB ASP A 36 69.108 8.558 -5.307 1.00 0.00 C ATOM 502 CG ASP A 36 69.537 9.809 -6.076 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.864 10.818 -5.948 1.00 0.00 O ATOM 504 OD2 ASP A 36 70.530 9.736 -6.781 1.00 0.00 O ATOM 0 H ASP A 36 68.286 10.890 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 36 68.759 8.007 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.831 7.757 -5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 36 68.149 8.199 -5.681 1.00 0.00 H new ATOM 509 N ILE A 37 70.922 8.760 -2.342 1.00 0.00 N ATOM 510 CA ILE A 37 72.228 9.233 -1.803 1.00 0.00 C ATOM 511 C ILE A 37 73.367 8.552 -2.564 1.00 0.00 C ATOM 512 O ILE A 37 73.134 7.762 -3.452 1.00 0.00 O ATOM 513 CB ILE A 37 72.236 8.816 -0.332 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.909 9.212 0.318 1.00 0.00 C ATOM 515 CG2 ILE A 37 73.386 9.522 0.389 1.00 0.00 C ATOM 516 CD1 ILE A 37 70.268 7.981 0.964 1.00 0.00 C ATOM 0 H ILE A 37 70.557 7.909 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 37 72.360 10.310 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 37 72.368 7.736 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 37 71.076 9.984 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 37 70.238 9.634 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 37 73.394 9.226 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 37 74.332 9.242 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 37 73.252 10.601 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 37 69.323 8.264 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 37 70.087 7.223 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.938 7.578 1.724 1.00 0.00 H new ATOM 528 N SER A 38 74.590 8.849 -2.233 1.00 0.00 N ATOM 529 CA SER A 38 75.727 8.208 -2.958 1.00 0.00 C ATOM 530 C SER A 38 75.742 6.698 -2.702 1.00 0.00 C ATOM 531 O SER A 38 75.565 6.243 -1.590 1.00 0.00 O ATOM 532 CB SER A 38 76.984 8.863 -2.386 1.00 0.00 C ATOM 533 OG SER A 38 78.074 8.636 -3.268 1.00 0.00 O ATOM 0 H SER A 38 74.854 9.504 -1.497 1.00 0.00 H new ATOM 0 HA SER A 38 75.653 8.343 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.823 9.933 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.206 8.452 -1.401 1.00 0.00 H new ATOM 0 HG SER A 38 78.881 9.056 -2.905 1.00 0.00 H new ATOM 539 N THR A 39 75.945 5.919 -3.730 1.00 0.00 N ATOM 540 CA THR A 39 75.965 4.437 -3.558 1.00 0.00 C ATOM 541 C THR A 39 76.796 4.049 -2.333 1.00 0.00 C ATOM 542 O THR A 39 76.599 3.004 -1.744 1.00 0.00 O ATOM 543 CB THR A 39 76.608 3.902 -4.839 1.00 0.00 C ATOM 544 OG1 THR A 39 77.825 4.595 -5.081 1.00 0.00 O ATOM 545 CG2 THR A 39 75.656 4.111 -6.018 1.00 0.00 C ATOM 0 H THR A 39 76.098 6.246 -4.684 1.00 0.00 H new ATOM 0 HA THR A 39 74.968 4.027 -3.398 1.00 0.00 H new ATOM 0 HB THR A 39 76.812 2.837 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 39 78.239 4.252 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 39 76.116 3.729 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.724 3.578 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 39 75.449 5.175 -6.134 1.00 0.00 H new ATOM 553 N LYS A 40 77.725 4.877 -1.944 1.00 0.00 N ATOM 554 CA LYS A 40 78.566 4.546 -0.756 1.00 0.00 C ATOM 555 C LYS A 40 77.804 4.853 0.534 1.00 0.00 C ATOM 556 O LYS A 40 78.337 4.751 1.621 1.00 0.00 O ATOM 557 CB LYS A 40 79.798 5.444 -0.879 1.00 0.00 C ATOM 558 CG LYS A 40 81.063 4.585 -0.823 1.00 0.00 C ATOM 559 CD LYS A 40 82.115 5.163 -1.772 1.00 0.00 C ATOM 560 CE LYS A 40 83.459 4.474 -1.525 1.00 0.00 C ATOM 561 NZ LYS A 40 83.271 3.080 -2.014 1.00 0.00 N ATOM 0 H LYS A 40 77.939 5.767 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 40 78.834 3.490 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.764 6.000 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.808 6.178 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.452 4.558 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.830 3.558 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.805 5.019 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.211 6.237 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 40 84.264 4.976 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.722 4.489 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.199 2.632 -2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.724 2.538 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.758 3.096 -2.919 1.00 0.00 H new ATOM 575 N GLU A 41 76.559 5.226 0.424 1.00 0.00 N ATOM 576 CA GLU A 41 75.762 5.537 1.642 1.00 0.00 C ATOM 577 C GLU A 41 74.520 4.644 1.698 1.00 0.00 C ATOM 578 O GLU A 41 73.805 4.616 2.681 1.00 0.00 O ATOM 579 CB GLU A 41 75.361 7.003 1.489 1.00 0.00 C ATOM 580 CG GLU A 41 74.773 7.512 2.806 1.00 0.00 C ATOM 581 CD GLU A 41 75.904 7.984 3.722 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.007 8.153 3.229 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.647 8.166 4.900 1.00 0.00 O ATOM 0 H GLU A 41 76.059 5.329 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 41 76.323 5.363 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.229 7.601 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.630 7.109 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.080 8.331 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.204 6.720 3.292 1.00 0.00 H new ATOM 590 N LEU A 42 74.259 3.914 0.648 1.00 0.00 N ATOM 591 CA LEU A 42 73.065 3.023 0.635 1.00 0.00 C ATOM 592 C LEU A 42 73.027 2.166 1.903 1.00 0.00 C ATOM 593 O LEU A 42 72.002 2.027 2.539 1.00 0.00 O ATOM 594 CB LEU A 42 73.243 2.143 -0.602 1.00 0.00 C ATOM 595 CG LEU A 42 72.032 1.223 -0.753 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.524 1.278 -2.195 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.440 -0.213 -0.414 1.00 0.00 C ATOM 0 H LEU A 42 74.822 3.896 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 42 72.131 3.585 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.354 2.765 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.154 1.551 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 42 71.242 1.549 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.660 0.622 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.236 2.300 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.314 0.952 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.578 -0.871 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.230 -0.537 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.803 -0.255 0.613 1.00 0.00 H new ATOM 609 N GLY A 43 74.137 1.588 2.275 1.00 0.00 N ATOM 610 CA GLY A 43 74.158 0.739 3.501 1.00 0.00 C ATOM 611 C GLY A 43 73.667 1.556 4.699 1.00 0.00 C ATOM 612 O GLY A 43 72.793 1.140 5.431 1.00 0.00 O ATOM 0 H GLY A 43 75.028 1.666 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.524 -0.136 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.168 0.374 3.686 1.00 0.00 H new ATOM 616 N THR A 44 74.227 2.716 4.903 1.00 0.00 N ATOM 617 CA THR A 44 73.799 3.564 6.053 1.00 0.00 C ATOM 618 C THR A 44 72.271 3.672 6.102 1.00 0.00 C ATOM 619 O THR A 44 71.650 3.376 7.104 1.00 0.00 O ATOM 620 CB THR A 44 74.431 4.934 5.781 1.00 0.00 C ATOM 621 OG1 THR A 44 75.791 4.914 6.193 1.00 0.00 O ATOM 622 CG2 THR A 44 73.679 6.019 6.555 1.00 0.00 C ATOM 0 H THR A 44 74.964 3.115 4.322 1.00 0.00 H new ATOM 0 HA THR A 44 74.111 3.150 7.012 1.00 0.00 H new ATOM 0 HB THR A 44 74.373 5.152 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.198 5.788 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.134 6.989 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.636 6.036 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 44 73.730 5.806 7.623 1.00 0.00 H new ATOM 630 N VAL A 45 71.664 4.103 5.032 1.00 0.00 N ATOM 631 CA VAL A 45 70.179 4.244 5.019 1.00 0.00 C ATOM 632 C VAL A 45 69.512 3.014 5.642 1.00 0.00 C ATOM 633 O VAL A 45 68.827 3.110 6.642 1.00 0.00 O ATOM 634 CB VAL A 45 69.810 4.365 3.542 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.299 4.189 3.375 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.222 5.746 3.029 1.00 0.00 C ATOM 0 H VAL A 45 72.132 4.364 4.164 1.00 0.00 H new ATOM 0 HA VAL A 45 69.844 5.104 5.599 1.00 0.00 H new ATOM 0 HB VAL A 45 70.329 3.594 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.037 4.276 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.004 3.206 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.778 4.960 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.960 5.836 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.702 6.516 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.298 5.872 3.147 1.00 0.00 H new ATOM 646 N MET A 46 69.697 1.861 5.061 1.00 0.00 N ATOM 647 CA MET A 46 69.063 0.633 5.625 1.00 0.00 C ATOM 648 C MET A 46 69.794 0.184 6.895 1.00 0.00 C ATOM 649 O MET A 46 69.263 -0.557 7.698 1.00 0.00 O ATOM 650 CB MET A 46 69.186 -0.421 4.522 1.00 0.00 C ATOM 651 CG MET A 46 70.611 -0.979 4.491 1.00 0.00 C ATOM 652 SD MET A 46 70.594 -2.703 5.044 1.00 0.00 S ATOM 653 CE MET A 46 69.497 -3.343 3.756 1.00 0.00 C ATOM 0 H MET A 46 70.258 1.715 4.222 1.00 0.00 H new ATOM 0 HA MET A 46 68.025 0.801 5.910 1.00 0.00 H new ATOM 0 HB2 MET A 46 68.474 -1.228 4.697 1.00 0.00 H new ATOM 0 HB3 MET A 46 68.938 0.020 3.557 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.017 -0.913 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.260 -0.385 5.135 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.789 -4.362 3.503 1.00 0.00 H new ATOM 0 HE2 MET A 46 68.469 -3.339 4.119 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.571 -2.714 2.869 1.00 0.00 H new ATOM 663 N ARG A 47 71.009 0.624 7.082 1.00 0.00 N ATOM 664 CA ARG A 47 71.769 0.217 8.300 1.00 0.00 C ATOM 665 C ARG A 47 71.376 1.098 9.489 1.00 0.00 C ATOM 666 O ARG A 47 71.050 0.612 10.553 1.00 0.00 O ATOM 667 CB ARG A 47 73.239 0.427 7.939 1.00 0.00 C ATOM 668 CG ARG A 47 74.123 -0.139 9.051 1.00 0.00 C ATOM 669 CD ARG A 47 74.858 1.005 9.753 1.00 0.00 C ATOM 670 NE ARG A 47 76.021 0.360 10.423 1.00 0.00 N ATOM 671 CZ ARG A 47 77.233 0.768 10.161 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.561 1.103 8.943 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.118 0.839 11.117 1.00 0.00 N ATOM 0 H ARG A 47 71.508 1.246 6.446 1.00 0.00 H new ATOM 0 HA ARG A 47 71.564 -0.814 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.466 -0.065 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.443 1.489 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.515 -0.689 9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.841 -0.845 8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.183 1.762 9.040 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.213 1.504 10.476 1.00 0.00 H new ATOM 0 HE ARG A 47 75.871 -0.400 11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.870 1.046 8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.508 1.422 8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.863 0.576 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.065 1.158 10.913 1.00 0.00 H new ATOM 687 N MET A 48 71.404 2.392 9.316 1.00 0.00 N ATOM 688 CA MET A 48 71.032 3.302 10.437 1.00 0.00 C ATOM 689 C MET A 48 69.521 3.254 10.677 1.00 0.00 C ATOM 690 O MET A 48 69.008 3.869 11.591 1.00 0.00 O ATOM 691 CB MET A 48 71.457 4.696 9.973 1.00 0.00 C ATOM 692 CG MET A 48 72.382 5.322 11.018 1.00 0.00 C ATOM 693 SD MET A 48 74.058 5.443 10.343 1.00 0.00 S ATOM 694 CE MET A 48 74.928 4.755 11.772 1.00 0.00 C ATOM 0 H MET A 48 71.668 2.858 8.448 1.00 0.00 H new ATOM 0 HA MET A 48 71.512 3.021 11.374 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.968 4.631 9.012 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.579 5.325 9.825 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.018 6.311 11.296 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.386 4.717 11.925 1.00 0.00 H new ATOM 0 HE1 MET A 48 75.999 4.735 11.571 1.00 0.00 H new ATOM 0 HE2 MET A 48 74.735 5.374 12.648 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.575 3.741 11.959 1.00 0.00 H new ATOM 704 N LEU A 49 68.805 2.526 9.864 1.00 0.00 N ATOM 705 CA LEU A 49 67.328 2.440 10.047 1.00 0.00 C ATOM 706 C LEU A 49 66.991 1.445 11.161 1.00 0.00 C ATOM 707 O LEU A 49 65.961 1.538 11.800 1.00 0.00 O ATOM 708 CB LEU A 49 66.792 1.941 8.703 1.00 0.00 C ATOM 709 CG LEU A 49 66.276 3.129 7.888 1.00 0.00 C ATOM 710 CD1 LEU A 49 65.986 2.677 6.455 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.990 3.662 8.524 1.00 0.00 C ATOM 0 H LEU A 49 69.178 1.988 9.082 1.00 0.00 H new ATOM 0 HA LEU A 49 66.890 3.397 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.579 1.424 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.990 1.221 8.864 1.00 0.00 H new ATOM 0 HG LEU A 49 67.030 3.916 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.618 3.523 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.901 2.296 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.232 1.890 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.621 4.508 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.236 2.874 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.195 3.983 9.545 1.00 0.00 H new ATOM 723 N GLY A 50 67.851 0.494 11.402 1.00 0.00 N ATOM 724 CA GLY A 50 67.579 -0.504 12.476 1.00 0.00 C ATOM 725 C GLY A 50 68.132 -1.869 12.061 1.00 0.00 C ATOM 726 O GLY A 50 68.302 -2.753 12.877 1.00 0.00 O ATOM 0 H GLY A 50 68.730 0.364 10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.040 -0.183 13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.507 -0.575 12.657 1.00 0.00 H new ATOM 730 N GLN A 51 68.412 -2.048 10.800 1.00 0.00 N ATOM 731 CA GLN A 51 68.953 -3.359 10.336 1.00 0.00 C ATOM 732 C GLN A 51 70.482 -3.298 10.255 1.00 0.00 C ATOM 733 O GLN A 51 71.106 -2.413 10.805 1.00 0.00 O ATOM 734 CB GLN A 51 68.351 -3.576 8.945 1.00 0.00 C ATOM 735 CG GLN A 51 66.875 -3.169 8.950 1.00 0.00 C ATOM 736 CD GLN A 51 66.182 -3.768 10.176 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.200 -5.060 10.354 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 65.617 -3.051 10.978 1.00 0.00 N flip ATOM 0 H GLN A 51 68.290 -1.345 10.071 1.00 0.00 H new ATOM 0 HA GLN A 51 68.700 -4.172 11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.897 -2.989 8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.448 -4.622 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.787 -2.083 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.388 -3.516 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.603 -2.041 10.838 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.156 -3.459 11.791 1.00 0.00 H new ATOM 747 N ASN A 52 71.087 -4.232 9.573 1.00 0.00 N ATOM 748 CA ASN A 52 72.574 -4.224 9.460 1.00 0.00 C ATOM 749 C ASN A 52 73.018 -5.066 8.260 1.00 0.00 C ATOM 750 O ASN A 52 73.139 -6.271 8.357 1.00 0.00 O ATOM 751 CB ASN A 52 73.071 -4.847 10.765 1.00 0.00 C ATOM 752 CG ASN A 52 74.521 -4.429 11.013 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.378 -5.263 11.224 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.834 -3.162 10.996 1.00 0.00 N ATOM 0 H ASN A 52 70.618 -4.998 9.090 1.00 0.00 H new ATOM 0 HA ASN A 52 72.972 -3.221 9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.442 -4.526 11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.999 -5.933 10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.798 -2.873 11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.114 -2.461 10.819 1.00 0.00 H new ATOM 761 N PRO A 53 73.246 -4.397 7.163 1.00 0.00 N ATOM 762 CA PRO A 53 73.682 -5.088 5.926 1.00 0.00 C ATOM 763 C PRO A 53 75.144 -5.523 6.043 1.00 0.00 C ATOM 764 O PRO A 53 75.991 -4.777 6.493 1.00 0.00 O ATOM 765 CB PRO A 53 73.520 -4.024 4.845 1.00 0.00 C ATOM 766 CG PRO A 53 73.618 -2.718 5.568 1.00 0.00 C ATOM 767 CD PRO A 53 73.121 -2.947 6.973 1.00 0.00 C ATOM 0 HA PRO A 53 73.111 -5.993 5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.296 -4.113 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.561 -4.122 4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.648 -2.360 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.020 -1.956 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.716 -2.396 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.089 -2.617 7.090 1.00 0.00 H new ATOM 775 N THR A 54 75.451 -6.724 5.635 1.00 0.00 N ATOM 776 CA THR A 54 76.860 -7.200 5.719 1.00 0.00 C ATOM 777 C THR A 54 77.708 -6.512 4.645 1.00 0.00 C ATOM 778 O THR A 54 77.260 -6.291 3.537 1.00 0.00 O ATOM 779 CB THR A 54 76.785 -8.706 5.464 1.00 0.00 C ATOM 780 OG1 THR A 54 75.719 -8.981 4.566 1.00 0.00 O ATOM 781 CG2 THR A 54 76.543 -9.437 6.785 1.00 0.00 C ATOM 0 H THR A 54 74.788 -7.395 5.248 1.00 0.00 H new ATOM 0 HA THR A 54 77.319 -6.975 6.681 1.00 0.00 H new ATOM 0 HB THR A 54 77.724 -9.048 5.029 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.801 -9.899 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.490 -10.510 6.602 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.362 -9.226 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.605 -9.096 7.223 1.00 0.00 H new ATOM 789 N LYS A 55 78.925 -6.170 4.962 1.00 0.00 N ATOM 790 CA LYS A 55 79.791 -5.496 3.952 1.00 0.00 C ATOM 791 C LYS A 55 79.741 -6.254 2.625 1.00 0.00 C ATOM 792 O LYS A 55 79.318 -5.728 1.614 1.00 0.00 O ATOM 793 CB LYS A 55 81.201 -5.541 4.540 1.00 0.00 C ATOM 794 CG LYS A 55 82.076 -4.503 3.835 1.00 0.00 C ATOM 795 CD LYS A 55 83.324 -5.184 3.269 1.00 0.00 C ATOM 796 CE LYS A 55 84.575 -4.532 3.864 1.00 0.00 C ATOM 797 NZ LYS A 55 85.196 -3.791 2.732 1.00 0.00 N ATOM 0 H LYS A 55 79.357 -6.327 5.872 1.00 0.00 H new ATOM 0 HA LYS A 55 79.468 -4.475 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.168 -5.339 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.627 -6.537 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.515 -4.024 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.363 -3.719 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.309 -6.248 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.337 -5.098 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.319 -3.860 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 85.257 -5.281 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.061 -3.316 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.435 -4.458 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.526 -3.081 2.373 1.00 0.00 H new ATOM 811 N GLU A 56 80.167 -7.487 2.622 1.00 0.00 N ATOM 812 CA GLU A 56 80.143 -8.283 1.361 1.00 0.00 C ATOM 813 C GLU A 56 78.833 -8.042 0.610 1.00 0.00 C ATOM 814 O GLU A 56 78.798 -8.001 -0.604 1.00 0.00 O ATOM 815 CB GLU A 56 80.237 -9.740 1.812 1.00 0.00 C ATOM 816 CG GLU A 56 81.444 -9.913 2.737 1.00 0.00 C ATOM 817 CD GLU A 56 80.960 -10.207 4.158 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.624 -11.350 4.423 1.00 0.00 O ATOM 819 OE2 GLU A 56 80.934 -9.286 4.956 1.00 0.00 O ATOM 0 H GLU A 56 80.531 -7.979 3.438 1.00 0.00 H new ATOM 0 HA GLU A 56 80.954 -8.010 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.324 -10.030 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 56 80.333 -10.394 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 56 82.075 -10.727 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.054 -9.010 2.729 1.00 0.00 H new ATOM 826 N GLU A 57 77.752 -7.884 1.325 1.00 0.00 N ATOM 827 CA GLU A 57 76.442 -7.650 0.655 1.00 0.00 C ATOM 828 C GLU A 57 76.368 -6.213 0.132 1.00 0.00 C ATOM 829 O GLU A 57 75.865 -5.960 -0.944 1.00 0.00 O ATOM 830 CB GLU A 57 75.394 -7.883 1.744 1.00 0.00 C ATOM 831 CG GLU A 57 75.144 -9.385 1.906 1.00 0.00 C ATOM 832 CD GLU A 57 76.481 -10.125 1.985 1.00 0.00 C ATOM 833 OE1 GLU A 57 77.021 -10.218 3.075 1.00 0.00 O ATOM 834 OE2 GLU A 57 76.941 -10.587 0.954 1.00 0.00 O ATOM 0 H GLU A 57 77.720 -7.907 2.344 1.00 0.00 H new ATOM 0 HA GLU A 57 76.290 -8.307 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.735 -7.457 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.465 -7.376 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.561 -9.571 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.560 -9.759 1.065 1.00 0.00 H new ATOM 841 N LEU A 58 76.864 -5.270 0.886 1.00 0.00 N ATOM 842 CA LEU A 58 76.822 -3.852 0.428 1.00 0.00 C ATOM 843 C LEU A 58 77.598 -3.700 -0.882 1.00 0.00 C ATOM 844 O LEU A 58 77.122 -3.114 -1.834 1.00 0.00 O ATOM 845 CB LEU A 58 77.492 -3.051 1.545 1.00 0.00 C ATOM 846 CG LEU A 58 76.613 -3.082 2.796 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.123 -2.054 3.806 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.169 -2.746 2.413 1.00 0.00 C ATOM 0 H LEU A 58 77.296 -5.420 1.798 1.00 0.00 H new ATOM 0 HA LEU A 58 75.805 -3.509 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.474 -3.469 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.649 -2.021 1.224 1.00 0.00 H new ATOM 0 HG LEU A 58 76.651 -4.077 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.496 -2.077 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.151 -2.292 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.087 -1.059 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.542 -2.768 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.133 -1.752 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.803 -3.479 1.694 1.00 0.00 H new ATOM 860 N ASP A 59 78.790 -4.226 -0.939 1.00 0.00 N ATOM 861 CA ASP A 59 79.595 -4.114 -2.188 1.00 0.00 C ATOM 862 C ASP A 59 78.883 -4.832 -3.337 1.00 0.00 C ATOM 863 O ASP A 59 79.060 -4.503 -4.494 1.00 0.00 O ATOM 864 CB ASP A 59 80.923 -4.799 -1.868 1.00 0.00 C ATOM 865 CG ASP A 59 82.071 -3.811 -2.082 1.00 0.00 C ATOM 866 OD1 ASP A 59 82.440 -3.600 -3.226 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.563 -3.282 -1.098 1.00 0.00 O ATOM 0 H ASP A 59 79.242 -4.729 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 59 79.737 -3.079 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.922 -5.154 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.057 -5.672 -2.506 1.00 0.00 H new ATOM 872 N ALA A 60 78.075 -5.809 -3.026 1.00 0.00 N ATOM 873 CA ALA A 60 77.351 -6.547 -4.100 1.00 0.00 C ATOM 874 C ALA A 60 76.094 -5.776 -4.510 1.00 0.00 C ATOM 875 O ALA A 60 75.857 -5.533 -5.678 1.00 0.00 O ATOM 876 CB ALA A 60 76.974 -7.891 -3.474 1.00 0.00 C ATOM 0 H ALA A 60 77.885 -6.128 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 60 77.957 -6.672 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.436 -8.495 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.879 -8.415 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.339 -7.722 -2.605 1.00 0.00 H new ATOM 882 N ILE A 61 75.288 -5.387 -3.561 1.00 0.00 N ATOM 883 CA ILE A 61 74.051 -4.630 -3.901 1.00 0.00 C ATOM 884 C ILE A 61 74.421 -3.270 -4.498 1.00 0.00 C ATOM 885 O ILE A 61 73.873 -2.850 -5.498 1.00 0.00 O ATOM 886 CB ILE A 61 73.317 -4.451 -2.573 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.912 -5.822 -2.028 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.065 -3.600 -2.791 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.162 -5.866 -0.520 1.00 0.00 C ATOM 0 H ILE A 61 75.432 -5.560 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 61 73.435 -5.147 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 61 73.974 -3.953 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.860 -6.012 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.483 -6.606 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.542 -3.473 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.352 -2.623 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.407 -4.096 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.873 -6.843 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.220 -5.695 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.571 -5.092 -0.030 1.00 0.00 H new ATOM 901 N ILE A 62 75.350 -2.582 -3.892 1.00 0.00 N ATOM 902 CA ILE A 62 75.759 -1.251 -4.423 1.00 0.00 C ATOM 903 C ILE A 62 76.079 -1.351 -5.917 1.00 0.00 C ATOM 904 O ILE A 62 75.334 -0.879 -6.751 1.00 0.00 O ATOM 905 CB ILE A 62 77.009 -0.876 -3.628 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.601 -0.409 -2.230 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.756 0.251 -4.344 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.829 0.122 -1.488 1.00 0.00 C ATOM 0 H ILE A 62 75.843 -2.884 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 62 74.971 -0.505 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 62 77.661 -1.746 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.842 0.370 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.157 -1.235 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.647 0.516 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 62 78.048 -0.081 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.106 1.122 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.537 0.454 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.573 -0.670 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.253 0.960 -2.040 1.00 0.00 H new ATOM 920 N GLU A 63 77.180 -1.962 -6.261 1.00 0.00 N ATOM 921 CA GLU A 63 77.538 -2.088 -7.703 1.00 0.00 C ATOM 922 C GLU A 63 76.312 -2.517 -8.511 1.00 0.00 C ATOM 923 O GLU A 63 76.095 -2.064 -9.618 1.00 0.00 O ATOM 924 CB GLU A 63 78.618 -3.168 -7.752 1.00 0.00 C ATOM 925 CG GLU A 63 79.137 -3.305 -9.185 1.00 0.00 C ATOM 926 CD GLU A 63 78.997 -4.759 -9.643 1.00 0.00 C ATOM 927 OE1 GLU A 63 77.887 -5.263 -9.616 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.003 -5.343 -10.012 1.00 0.00 O ATOM 0 H GLU A 63 77.845 -2.378 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 63 77.887 -1.147 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 63 79.437 -2.910 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 63 78.212 -4.119 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.577 -2.648 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 63 80.181 -2.996 -9.236 1.00 0.00 H new ATOM 935 N GLU A 64 75.507 -3.385 -7.964 1.00 0.00 N ATOM 936 CA GLU A 64 74.292 -3.843 -8.696 1.00 0.00 C ATOM 937 C GLU A 64 73.283 -2.695 -8.807 1.00 0.00 C ATOM 938 O GLU A 64 72.777 -2.401 -9.872 1.00 0.00 O ATOM 939 CB GLU A 64 73.729 -4.982 -7.842 1.00 0.00 C ATOM 940 CG GLU A 64 72.250 -5.201 -8.174 1.00 0.00 C ATOM 941 CD GLU A 64 71.848 -6.629 -7.802 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.444 -6.833 -6.669 1.00 0.00 O ATOM 943 OE2 GLU A 64 71.953 -7.495 -8.655 1.00 0.00 O ATOM 0 H GLU A 64 75.638 -3.798 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 64 74.512 -4.168 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 64 74.291 -5.898 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.842 -4.745 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.634 -4.485 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 64 72.076 -5.028 -9.236 1.00 0.00 H new ATOM 950 N VAL A 65 72.987 -2.047 -7.714 1.00 0.00 N ATOM 951 CA VAL A 65 72.011 -0.922 -7.755 1.00 0.00 C ATOM 952 C VAL A 65 72.711 0.375 -8.167 1.00 0.00 C ATOM 953 O VAL A 65 72.089 1.411 -8.302 1.00 0.00 O ATOM 954 CB VAL A 65 71.477 -0.813 -6.328 1.00 0.00 C ATOM 955 CG1 VAL A 65 71.093 -2.202 -5.817 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.560 -0.219 -5.423 1.00 0.00 C ATOM 0 H VAL A 65 73.379 -2.248 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 65 71.214 -1.093 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 65 70.599 -0.168 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.712 -2.123 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.322 -2.626 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.970 -2.849 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.180 -0.141 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.438 -0.865 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.834 0.772 -5.785 1.00 0.00 H new ATOM 966 N ASP A 66 73.999 0.329 -8.370 1.00 0.00 N ATOM 967 CA ASP A 66 74.735 1.561 -8.773 1.00 0.00 C ATOM 968 C ASP A 66 74.522 1.841 -10.262 1.00 0.00 C ATOM 969 O ASP A 66 75.382 1.580 -11.080 1.00 0.00 O ATOM 970 CB ASP A 66 76.207 1.257 -8.495 1.00 0.00 C ATOM 971 CG ASP A 66 76.534 1.594 -7.039 1.00 0.00 C ATOM 972 OD1 ASP A 66 75.633 1.521 -6.219 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.678 1.919 -6.770 1.00 0.00 O ATOM 0 H ASP A 66 74.574 -0.508 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 66 74.390 2.440 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.415 0.205 -8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.842 1.838 -9.165 1.00 0.00 H new ATOM 1030 N THR A 72 72.704 6.839 -7.884 1.00 0.00 N ATOM 1031 CA THR A 72 73.041 5.732 -6.942 1.00 0.00 C ATOM 1032 C THR A 72 71.866 4.760 -6.820 1.00 0.00 C ATOM 1033 O THR A 72 71.798 3.763 -7.510 1.00 0.00 O ATOM 1034 CB THR A 72 73.298 6.424 -5.602 1.00 0.00 C ATOM 1035 OG1 THR A 72 74.573 7.049 -5.631 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.255 5.394 -4.467 1.00 0.00 C ATOM 0 HA THR A 72 73.900 5.151 -7.279 1.00 0.00 H new ATOM 0 HB THR A 72 72.527 7.175 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 72 74.770 7.348 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.439 5.893 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 72 72.274 4.919 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.021 4.637 -4.633 1.00 0.00 H new ATOM 1044 N ILE A 73 70.946 5.043 -5.941 1.00 0.00 N ATOM 1045 CA ILE A 73 69.779 4.130 -5.770 1.00 0.00 C ATOM 1046 C ILE A 73 68.478 4.936 -5.693 1.00 0.00 C ATOM 1047 O ILE A 73 68.466 6.072 -5.265 1.00 0.00 O ATOM 1048 CB ILE A 73 70.037 3.401 -4.451 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.910 2.395 -4.197 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.082 4.414 -3.306 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.281 1.045 -4.814 1.00 0.00 C ATOM 0 H ILE A 73 70.950 5.863 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 73 69.672 3.438 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 73 70.990 2.875 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.743 2.283 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.978 2.760 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.266 3.893 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.883 5.131 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.129 4.941 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.479 0.330 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.426 1.163 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.203 0.679 -4.361 1.00 0.00 H new ATOM 1063 N ASP A 74 67.383 4.357 -6.103 1.00 0.00 N ATOM 1064 CA ASP A 74 66.087 5.094 -6.052 1.00 0.00 C ATOM 1065 C ASP A 74 65.292 4.679 -4.810 1.00 0.00 C ATOM 1066 O ASP A 74 65.052 3.510 -4.576 1.00 0.00 O ATOM 1067 CB ASP A 74 65.346 4.683 -7.325 1.00 0.00 C ATOM 1068 CG ASP A 74 66.045 5.294 -8.541 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.002 4.700 -9.010 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.611 6.345 -8.984 1.00 0.00 O ATOM 0 H ASP A 74 67.329 3.407 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 74 66.228 6.173 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.325 3.597 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.310 5.019 -7.280 1.00 0.00 H new ATOM 1075 N PHE A 75 64.882 5.626 -4.012 1.00 0.00 N ATOM 1076 CA PHE A 75 64.104 5.284 -2.786 1.00 0.00 C ATOM 1077 C PHE A 75 63.056 4.214 -3.103 1.00 0.00 C ATOM 1078 O PHE A 75 62.991 3.186 -2.461 1.00 0.00 O ATOM 1079 CB PHE A 75 63.425 6.590 -2.369 1.00 0.00 C ATOM 1080 CG PHE A 75 62.758 6.405 -1.027 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.600 5.626 -0.923 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.297 7.014 0.112 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.981 5.455 0.321 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.679 6.842 1.357 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.521 6.062 1.461 1.00 0.00 C ATOM 0 H PHE A 75 65.051 6.622 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 75 64.738 4.883 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 75 64.160 7.393 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.688 6.884 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.184 5.157 -1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.190 7.617 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.087 4.855 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.095 7.311 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.044 5.929 2.421 1.00 0.00 H new ATOM 1095 N GLU A 76 62.234 4.449 -4.090 1.00 0.00 N ATOM 1096 CA GLU A 76 61.191 3.443 -4.445 1.00 0.00 C ATOM 1097 C GLU A 76 61.837 2.074 -4.673 1.00 0.00 C ATOM 1098 O GLU A 76 61.428 1.082 -4.104 1.00 0.00 O ATOM 1099 CB GLU A 76 60.564 3.964 -5.738 1.00 0.00 C ATOM 1100 CG GLU A 76 59.343 4.822 -5.405 1.00 0.00 C ATOM 1101 CD GLU A 76 58.315 3.979 -4.648 1.00 0.00 C ATOM 1102 OE1 GLU A 76 58.386 3.947 -3.430 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.475 3.379 -5.298 1.00 0.00 O ATOM 0 H GLU A 76 62.239 5.292 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 76 60.450 3.317 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.293 4.551 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.272 3.129 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.642 5.679 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 58.902 5.216 -6.321 1.00 0.00 H new ATOM 1110 N GLU A 77 62.847 2.013 -5.498 1.00 0.00 N ATOM 1111 CA GLU A 77 63.519 0.709 -5.758 1.00 0.00 C ATOM 1112 C GLU A 77 64.348 0.293 -4.539 1.00 0.00 C ATOM 1113 O GLU A 77 64.599 -0.874 -4.317 1.00 0.00 O ATOM 1114 CB GLU A 77 64.426 0.964 -6.962 1.00 0.00 C ATOM 1115 CG GLU A 77 65.241 -0.294 -7.266 1.00 0.00 C ATOM 1116 CD GLU A 77 65.368 -0.468 -8.781 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.577 0.129 -9.493 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.253 -1.193 -9.202 1.00 0.00 O ATOM 0 H GLU A 77 63.235 2.810 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 77 62.807 -0.094 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 77 63.827 1.240 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.093 1.801 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.230 -0.217 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.758 -1.168 -6.828 1.00 0.00 H new ATOM 1125 N PHE A 78 64.771 1.240 -3.747 1.00 0.00 N ATOM 1126 CA PHE A 78 65.579 0.896 -2.541 1.00 0.00 C ATOM 1127 C PHE A 78 64.685 0.254 -1.479 1.00 0.00 C ATOM 1128 O PHE A 78 65.125 -0.564 -0.696 1.00 0.00 O ATOM 1129 CB PHE A 78 66.141 2.229 -2.043 1.00 0.00 C ATOM 1130 CG PHE A 78 66.642 2.067 -0.627 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.784 1.300 -0.372 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.960 2.682 0.431 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.246 1.149 0.941 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.423 2.530 1.743 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.566 1.763 1.998 1.00 0.00 C ATOM 0 H PHE A 78 64.593 2.235 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 78 66.373 0.182 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.953 2.559 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.370 2.998 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.309 0.825 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.078 3.273 0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.128 0.558 1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.898 3.005 2.559 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.923 1.645 3.011 1.00 0.00 H new ATOM 1145 N LEU A 79 63.432 0.617 -1.447 1.00 0.00 N ATOM 1146 CA LEU A 79 62.513 0.024 -0.436 1.00 0.00 C ATOM 1147 C LEU A 79 62.752 -1.483 -0.335 1.00 0.00 C ATOM 1148 O LEU A 79 62.515 -2.093 0.689 1.00 0.00 O ATOM 1149 CB LEU A 79 61.106 0.312 -0.962 1.00 0.00 C ATOM 1150 CG LEU A 79 60.550 1.559 -0.273 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.732 2.374 -1.276 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.653 1.139 0.893 1.00 0.00 C ATOM 0 H LEU A 79 63.006 1.297 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 79 62.666 0.439 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.133 0.461 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.454 -0.541 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 79 61.375 2.165 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.336 3.263 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.370 2.673 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.907 1.768 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.256 2.027 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 79 58.828 0.533 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.235 0.557 1.608 1.00 0.00 H new ATOM 1164 N VAL A 80 63.225 -2.088 -1.391 1.00 0.00 N ATOM 1165 CA VAL A 80 63.483 -3.554 -1.355 1.00 0.00 C ATOM 1166 C VAL A 80 64.637 -3.856 -0.395 1.00 0.00 C ATOM 1167 O VAL A 80 64.576 -4.777 0.394 1.00 0.00 O ATOM 1168 CB VAL A 80 63.859 -3.932 -2.790 1.00 0.00 C ATOM 1169 CG1 VAL A 80 62.838 -3.341 -3.765 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.250 -3.382 -3.117 1.00 0.00 C ATOM 0 H VAL A 80 63.443 -1.630 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 80 62.619 -4.119 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 80 63.864 -5.018 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.110 -3.613 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 80 61.847 -3.734 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.829 -2.255 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.517 -3.652 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.245 -2.297 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.980 -3.806 -2.428 1.00 0.00 H new ATOM 1180 N MET A 81 65.688 -3.082 -0.451 1.00 0.00 N ATOM 1181 CA MET A 81 66.839 -3.323 0.464 1.00 0.00 C ATOM 1182 C MET A 81 66.377 -3.230 1.919 1.00 0.00 C ATOM 1183 O MET A 81 66.962 -3.818 2.807 1.00 0.00 O ATOM 1184 CB MET A 81 67.840 -2.213 0.144 1.00 0.00 C ATOM 1185 CG MET A 81 68.954 -2.769 -0.743 1.00 0.00 C ATOM 1186 SD MET A 81 69.913 -3.992 0.187 1.00 0.00 S ATOM 1187 CE MET A 81 69.780 -5.343 -1.010 1.00 0.00 C ATOM 0 H MET A 81 65.798 -2.295 -1.090 1.00 0.00 H new ATOM 0 HA MET A 81 67.277 -4.312 0.331 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.336 -1.389 -0.361 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.261 -1.812 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.528 -3.227 -1.636 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.604 -1.961 -1.079 1.00 0.00 H new ATOM 0 HE1 MET A 81 70.538 -6.096 -0.795 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.790 -5.794 -0.941 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.931 -4.953 -2.017 1.00 0.00 H new ATOM 1197 N MET A 82 65.327 -2.497 2.169 1.00 0.00 N ATOM 1198 CA MET A 82 64.821 -2.365 3.564 1.00 0.00 C ATOM 1199 C MET A 82 64.091 -3.644 3.980 1.00 0.00 C ATOM 1200 O MET A 82 64.423 -4.267 4.968 1.00 0.00 O ATOM 1201 CB MET A 82 63.853 -1.184 3.523 1.00 0.00 C ATOM 1202 CG MET A 82 64.539 0.015 2.863 1.00 0.00 C ATOM 1203 SD MET A 82 64.178 1.514 3.812 1.00 0.00 S ATOM 1204 CE MET A 82 63.554 2.510 2.437 1.00 0.00 C ATOM 0 H MET A 82 64.797 -1.983 1.466 1.00 0.00 H new ATOM 0 HA MET A 82 65.624 -2.207 4.284 1.00 0.00 H new ATOM 0 HB2 MET A 82 62.956 -1.455 2.967 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.536 -0.925 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.616 -0.149 2.817 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.189 0.128 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.115 3.443 2.380 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.672 1.958 1.505 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.499 2.730 2.597 1.00 0.00 H new ATOM 1214 N VAL A 83 63.099 -4.042 3.230 1.00 0.00 N ATOM 1215 CA VAL A 83 62.351 -5.282 3.581 1.00 0.00 C ATOM 1216 C VAL A 83 63.216 -6.513 3.302 1.00 0.00 C ATOM 1217 O VAL A 83 63.086 -7.534 3.948 1.00 0.00 O ATOM 1218 CB VAL A 83 61.121 -5.276 2.672 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.562 -5.162 1.211 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.342 -6.578 2.867 1.00 0.00 C ATOM 0 H VAL A 83 62.775 -3.562 2.390 1.00 0.00 H new ATOM 0 HA VAL A 83 62.077 -5.315 4.635 1.00 0.00 H new ATOM 0 HB VAL A 83 60.487 -4.427 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.684 -5.158 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.120 -4.236 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.197 -6.011 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.464 -6.577 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.979 -7.425 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.026 -6.661 3.907 1.00 0.00 H new ATOM 1230 N ARG A 84 64.097 -6.422 2.345 1.00 0.00 N ATOM 1231 CA ARG A 84 64.971 -7.585 2.025 1.00 0.00 C ATOM 1232 C ARG A 84 65.920 -7.865 3.193 1.00 0.00 C ATOM 1233 O ARG A 84 66.149 -9.000 3.561 1.00 0.00 O ATOM 1234 CB ARG A 84 65.754 -7.160 0.782 1.00 0.00 C ATOM 1235 CG ARG A 84 64.830 -7.187 -0.437 1.00 0.00 C ATOM 1236 CD ARG A 84 65.035 -8.495 -1.205 1.00 0.00 C ATOM 1237 NE ARG A 84 66.143 -8.210 -2.158 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.559 -9.141 -2.973 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.060 -10.249 -2.496 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.475 -8.965 -4.263 1.00 0.00 N ATOM 0 H ARG A 84 64.250 -5.593 1.771 1.00 0.00 H new ATOM 0 HA ARG A 84 64.402 -8.499 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.161 -6.159 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.600 -7.829 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.791 -7.098 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.040 -6.336 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.293 -9.312 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.127 -8.791 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 84 66.577 -7.287 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.126 -10.386 -1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.385 -10.977 -3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 84 66.084 -8.100 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.800 -9.693 -4.899 1.00 0.00 H new ATOM 1254 N GLN A 85 66.471 -6.837 3.781 1.00 0.00 N ATOM 1255 CA GLN A 85 67.400 -7.046 4.929 1.00 0.00 C ATOM 1256 C GLN A 85 66.600 -7.340 6.200 1.00 0.00 C ATOM 1257 O GLN A 85 66.989 -8.154 7.015 1.00 0.00 O ATOM 1258 CB GLN A 85 68.162 -5.727 5.070 1.00 0.00 C ATOM 1259 CG GLN A 85 69.061 -5.788 6.307 1.00 0.00 C ATOM 1260 CD GLN A 85 69.885 -7.076 6.277 1.00 0.00 C ATOM 1261 OE1 GLN A 85 69.636 -7.988 7.041 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.864 -7.190 5.423 1.00 0.00 N ATOM 0 H GLN A 85 66.318 -5.864 3.517 1.00 0.00 H new ATOM 0 HA GLN A 85 68.073 -7.888 4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.763 -5.545 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.461 -4.897 5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.722 -4.922 6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.455 -5.753 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 85 71.073 -6.425 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.421 -8.044 5.396 1.00 0.00 H new ATOM 1271 N MET A 86 65.485 -6.685 6.374 1.00 0.00 N ATOM 1272 CA MET A 86 64.661 -6.930 7.590 1.00 0.00 C ATOM 1273 C MET A 86 64.010 -8.311 7.514 1.00 0.00 C ATOM 1274 O MET A 86 63.708 -8.921 8.519 1.00 0.00 O ATOM 1275 CB MET A 86 63.594 -5.835 7.576 1.00 0.00 C ATOM 1276 CG MET A 86 63.847 -4.865 8.730 1.00 0.00 C ATOM 1277 SD MET A 86 62.346 -3.905 9.051 1.00 0.00 S ATOM 1278 CE MET A 86 62.363 -4.054 10.856 1.00 0.00 C ATOM 0 H MET A 86 65.110 -5.991 5.727 1.00 0.00 H new ATOM 0 HA MET A 86 65.256 -6.906 8.503 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.617 -5.301 6.626 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.602 -6.277 7.669 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.138 -5.415 9.625 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.673 -4.198 8.484 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.343 -4.171 11.221 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.953 -4.924 11.144 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.804 -3.157 11.291 1.00 0.00 H new ATOM 1288 N LYS A 87 63.796 -8.811 6.328 1.00 0.00 N ATOM 1289 CA LYS A 87 63.170 -10.156 6.196 1.00 0.00 C ATOM 1290 C LYS A 87 63.894 -11.146 7.108 1.00 0.00 C ATOM 1291 O LYS A 87 63.342 -12.143 7.528 1.00 0.00 O ATOM 1292 CB LYS A 87 63.347 -10.535 4.726 1.00 0.00 C ATOM 1293 CG LYS A 87 62.158 -10.015 3.918 1.00 0.00 C ATOM 1294 CD LYS A 87 61.384 -11.196 3.329 1.00 0.00 C ATOM 1295 CE LYS A 87 62.171 -11.790 2.158 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.323 -12.907 1.655 1.00 0.00 N ATOM 0 H LYS A 87 64.026 -8.349 5.449 1.00 0.00 H new ATOM 0 HA LYS A 87 62.119 -10.164 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.275 -10.113 4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.423 -11.618 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.504 -9.420 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.506 -9.360 3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.221 -11.955 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.401 -10.868 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 87 62.346 -11.046 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 87 63.148 -12.150 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 61.795 -13.366 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 61.179 -13.603 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.402 -12.533 1.349 1.00 0.00 H new ATOM 1310 N GLU A 88 65.130 -10.867 7.426 1.00 0.00 N ATOM 1311 CA GLU A 88 65.894 -11.778 8.323 1.00 0.00 C ATOM 1312 C GLU A 88 65.875 -11.231 9.752 1.00 0.00 C ATOM 1313 O GLU A 88 65.788 -11.972 10.711 1.00 0.00 O ATOM 1314 CB GLU A 88 67.318 -11.784 7.768 1.00 0.00 C ATOM 1315 CG GLU A 88 68.112 -12.921 8.415 1.00 0.00 C ATOM 1316 CD GLU A 88 69.137 -13.461 7.416 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.969 -12.686 6.975 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.072 -14.641 7.109 1.00 0.00 O ATOM 0 H GLU A 88 65.643 -10.047 7.102 1.00 0.00 H new ATOM 0 HA GLU A 88 65.471 -12.782 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.297 -11.910 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.802 -10.828 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.617 -12.562 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.437 -13.718 8.727 1.00 0.00 H new ATOM 1325 N ASP A 89 65.948 -9.935 9.897 1.00 0.00 N ATOM 1326 CA ASP A 89 65.928 -9.336 11.263 1.00 0.00 C ATOM 1327 C ASP A 89 64.499 -9.335 11.810 1.00 0.00 C ATOM 1328 O ASP A 89 64.279 -9.417 13.002 1.00 0.00 O ATOM 1329 CB ASP A 89 66.431 -7.904 11.075 1.00 0.00 C ATOM 1330 CG ASP A 89 66.545 -7.221 12.440 1.00 0.00 C ATOM 1331 OD1 ASP A 89 65.542 -7.149 13.129 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.634 -6.780 12.770 1.00 0.00 O ATOM 0 H ASP A 89 66.020 -9.266 9.130 1.00 0.00 H new ATOM 0 HA ASP A 89 66.543 -9.892 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.401 -7.910 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.747 -7.348 10.434 1.00 0.00 H new ATOM 1337 N ALA A 90 63.526 -9.245 10.946 1.00 0.00 N ATOM 1338 CA ALA A 90 62.110 -9.240 11.413 1.00 0.00 C ATOM 1339 C ALA A 90 61.666 -10.662 11.770 1.00 0.00 C ATOM 1340 O ALA A 90 61.479 -11.449 10.857 1.00 0.00 O ATOM 1341 CB ALA A 90 61.303 -8.708 10.228 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.521 -10.938 12.949 1.00 0.00 O ATOM 0 H ALA A 90 63.650 -9.175 9.936 1.00 0.00 H new ATOM 0 HA ALA A 90 61.972 -8.630 12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.246 -8.674 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.646 -7.705 9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.441 -9.366 9.370 1.00 0.00 H new