USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 854 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 80 THR OG1 : rot 155:sc= -7.87! USER MOD Set 1.2: A 87 ASN : amide:sc= -3.56 K(o=-11,f=-24!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0064 (180deg=-0.282) USER MOD Single : A 6 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.83) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -160:sc= -1.55 USER MOD Single : A 26 SER OG : rot -30:sc= 0.462! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 64:sc= 0.137 USER MOD Single : A 31 SER OG : rot 62:sc= 1.09 USER MOD Single : A 34 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.48) USER MOD Single : A 35 SER OG : rot 28:sc= 0.0137 USER MOD Single : A 48 ASN : amide:sc= -0.0881 K(o=-0.088,f=-2.7!) USER MOD Single : A 50 SER OG : rot 59:sc= 0.164 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.158 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 170:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -74:sc= 0.282 USER MOD Single : A 101 CYS SG : rot 68:sc= -1.08 USER MOD Single : A 102 HIS : no HD1:sc= -0.0933 K(o=-0.093,f=-0.65) USER MOD Single : A 114 ASN : amide:sc= -0.0986 X(o=-0.099,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.867 14.479 37.819 1.00 73.43 N ATOM 2 CA MET A 1 89.648 13.842 38.873 1.00 24.42 C ATOM 3 C MET A 1 88.738 13.266 39.952 1.00 32.02 C ATOM 4 O MET A 1 87.854 13.953 40.463 1.00 34.21 O ATOM 5 CB MET A 1 90.624 14.844 39.492 1.00 73.25 C ATOM 6 CG MET A 1 91.513 15.537 38.472 1.00 32.13 C ATOM 7 SD MET A 1 92.805 16.533 39.240 1.00 71.54 S ATOM 8 CE MET A 1 92.993 17.837 38.026 1.00 21.23 C ATOM 0 H1 MET A 1 89.486 14.697 37.012 1.00 73.43 H new ATOM 0 H2 MET A 1 88.110 13.836 37.511 1.00 73.43 H new ATOM 0 H3 MET A 1 88.448 15.359 38.181 1.00 73.43 H new ATOM 0 HA MET A 1 90.214 13.024 38.427 1.00 24.42 H new ATOM 0 HB2 MET A 1 90.059 15.598 40.041 1.00 73.25 H new ATOM 0 HB3 MET A 1 91.252 14.326 40.217 1.00 73.25 H new ATOM 0 HG2 MET A 1 91.972 14.788 37.827 1.00 32.13 H new ATOM 0 HG3 MET A 1 90.900 16.174 37.834 1.00 32.13 H new ATOM 0 HE1 MET A 1 93.760 18.536 38.359 1.00 21.23 H new ATOM 0 HE2 MET A 1 93.287 17.404 37.070 1.00 21.23 H new ATOM 0 HE3 MET A 1 92.047 18.365 37.910 1.00 21.23 H new ATOM 18 N ALA A 2 88.959 12.001 40.296 1.00 63.11 N ATOM 19 CA ALA A 2 88.160 11.334 41.316 1.00 62.24 C ATOM 20 C ALA A 2 86.696 11.249 40.897 1.00 31.02 C ATOM 21 O ALA A 2 85.804 11.673 41.632 1.00 23.54 O ATOM 22 CB ALA A 2 88.289 12.062 42.645 1.00 10.02 C ATOM 0 H ALA A 2 89.686 11.417 39.882 1.00 63.11 H new ATOM 0 HA ALA A 2 88.537 10.318 41.432 1.00 62.24 H new ATOM 0 HB1 ALA A 2 87.687 11.554 43.398 1.00 10.02 H new ATOM 0 HB2 ALA A 2 89.333 12.067 42.957 1.00 10.02 H new ATOM 0 HB3 ALA A 2 87.939 13.088 42.533 1.00 10.02 H new ATOM 28 N ASP A 3 86.456 10.699 39.712 1.00 63.04 N ATOM 29 CA ASP A 3 85.099 10.559 39.195 1.00 22.12 C ATOM 30 C ASP A 3 84.779 9.096 38.902 1.00 64.32 C ATOM 31 O ASP A 3 85.665 8.312 38.559 1.00 71.22 O ATOM 32 CB ASP A 3 84.924 11.396 37.927 1.00 3.02 C ATOM 33 CG ASP A 3 83.467 11.583 37.555 1.00 64.53 C ATOM 34 OD1 ASP A 3 82.887 10.659 36.947 1.00 33.54 O ATOM 35 OD2 ASP A 3 82.906 12.654 37.868 1.00 63.53 O ATOM 0 H ASP A 3 87.183 10.343 39.091 1.00 63.04 H new ATOM 0 HA ASP A 3 84.407 10.919 39.956 1.00 22.12 H new ATOM 0 HB2 ASP A 3 85.387 12.372 38.072 1.00 3.02 H new ATOM 0 HB3 ASP A 3 85.448 10.914 37.102 1.00 3.02 H new ATOM 40 N PHE A 4 83.508 8.735 39.040 1.00 63.41 N ATOM 41 CA PHE A 4 83.070 7.366 38.791 1.00 14.54 C ATOM 42 C PHE A 4 81.605 7.331 38.366 1.00 42.42 C ATOM 43 O PHE A 4 80.946 8.368 38.288 1.00 33.25 O ATOM 44 CB PHE A 4 83.270 6.510 40.044 1.00 3.12 C ATOM 45 CG PHE A 4 84.671 5.991 40.199 1.00 41.04 C ATOM 46 CD1 PHE A 4 85.065 4.822 39.567 1.00 31.22 C ATOM 47 CD2 PHE A 4 85.594 6.672 40.976 1.00 20.54 C ATOM 48 CE1 PHE A 4 86.354 4.343 39.707 1.00 22.22 C ATOM 49 CE2 PHE A 4 86.884 6.197 41.120 1.00 42.23 C ATOM 50 CZ PHE A 4 87.264 5.031 40.485 1.00 20.21 C ATOM 0 H PHE A 4 82.763 9.371 39.323 1.00 63.41 H new ATOM 0 HA PHE A 4 83.674 6.959 37.980 1.00 14.54 H new ATOM 0 HB2 PHE A 4 83.011 7.101 40.923 1.00 3.12 H new ATOM 0 HB3 PHE A 4 82.580 5.667 40.012 1.00 3.12 H new ATOM 0 HD1 PHE A 4 84.357 4.279 38.958 1.00 31.22 H new ATOM 0 HD2 PHE A 4 85.302 7.584 41.475 1.00 20.54 H new ATOM 0 HE1 PHE A 4 86.649 3.432 39.208 1.00 22.22 H new ATOM 0 HE2 PHE A 4 87.594 6.737 41.729 1.00 42.23 H new ATOM 0 HZ PHE A 4 88.271 4.658 40.597 1.00 20.21 H new ATOM 60 N ASP A 5 81.104 6.133 38.092 1.00 65.10 N ATOM 61 CA ASP A 5 79.717 5.961 37.674 1.00 63.14 C ATOM 62 C ASP A 5 79.261 4.521 37.881 1.00 30.10 C ATOM 63 O ASP A 5 80.032 3.674 38.330 1.00 4.03 O ATOM 64 CB ASP A 5 79.552 6.355 36.205 1.00 73.04 C ATOM 65 CG ASP A 5 79.272 7.835 36.031 1.00 72.42 C ATOM 66 OD1 ASP A 5 78.353 8.348 36.703 1.00 31.21 O ATOM 67 OD2 ASP A 5 79.970 8.480 35.221 1.00 10.34 O ATOM 0 H ASP A 5 81.637 5.265 38.152 1.00 65.10 H new ATOM 0 HA ASP A 5 79.095 6.612 38.289 1.00 63.14 H new ATOM 0 HB2 ASP A 5 80.457 6.093 35.657 1.00 73.04 H new ATOM 0 HB3 ASP A 5 78.736 5.780 35.767 1.00 73.04 H new ATOM 72 N ASN A 6 78.001 4.251 37.553 1.00 42.21 N ATOM 73 CA ASN A 6 77.442 2.913 37.705 1.00 2.45 C ATOM 74 C ASN A 6 76.210 2.735 36.822 1.00 25.44 C ATOM 75 O ASN A 6 75.717 3.692 36.225 1.00 52.25 O ATOM 76 CB ASN A 6 77.078 2.653 39.167 1.00 35.41 C ATOM 77 CG ASN A 6 77.094 1.177 39.515 1.00 23.51 C ATOM 78 OD1 ASN A 6 78.033 0.458 39.172 1.00 41.12 O ATOM 79 ND2 ASN A 6 76.053 0.718 40.198 1.00 22.34 N ATOM 0 H ASN A 6 77.349 4.941 37.181 1.00 42.21 H new ATOM 0 HA ASN A 6 78.198 2.192 37.393 1.00 2.45 H new ATOM 0 HB2 ASN A 6 77.779 3.183 39.812 1.00 35.41 H new ATOM 0 HB3 ASN A 6 76.087 3.060 39.370 1.00 35.41 H new ATOM 0 HD21 ASN A 6 76.009 -0.267 40.460 1.00 22.34 H new ATOM 0 HD22 ASN A 6 75.297 1.350 40.461 1.00 22.34 H new ATOM 86 N LEU A 7 75.718 1.503 36.745 1.00 12.20 N ATOM 87 CA LEU A 7 74.543 1.199 35.936 1.00 11.21 C ATOM 88 C LEU A 7 73.969 -0.166 36.303 1.00 74.34 C ATOM 89 O LEU A 7 74.505 -0.867 37.161 1.00 1.20 O ATOM 90 CB LEU A 7 74.901 1.231 34.449 1.00 74.35 C ATOM 91 CG LEU A 7 76.252 0.626 34.071 1.00 42.43 C ATOM 92 CD1 LEU A 7 76.256 -0.873 34.326 1.00 63.52 C ATOM 93 CD2 LEU A 7 76.580 0.923 32.614 1.00 44.01 C ATOM 0 H LEU A 7 76.114 0.699 37.232 1.00 12.20 H new ATOM 0 HA LEU A 7 73.787 1.958 36.138 1.00 11.21 H new ATOM 0 HB2 LEU A 7 74.122 0.704 33.897 1.00 74.35 H new ATOM 0 HB3 LEU A 7 74.883 2.268 34.114 1.00 74.35 H new ATOM 0 HG LEU A 7 77.020 1.081 34.696 1.00 42.43 H new ATOM 0 HD11 LEU A 7 77.226 -1.286 34.051 1.00 63.52 H new ATOM 0 HD12 LEU A 7 76.067 -1.063 35.383 1.00 63.52 H new ATOM 0 HD13 LEU A 7 75.477 -1.346 33.728 1.00 63.52 H new ATOM 0 HD21 LEU A 7 77.546 0.485 32.362 1.00 44.01 H new ATOM 0 HD22 LEU A 7 75.809 0.496 31.973 1.00 44.01 H new ATOM 0 HD23 LEU A 7 76.621 2.002 32.463 1.00 44.01 H new ATOM 105 N PHE A 8 72.875 -0.538 35.645 1.00 1.20 N ATOM 106 CA PHE A 8 72.227 -1.820 35.901 1.00 4.42 C ATOM 107 C PHE A 8 71.756 -2.460 34.599 1.00 63.22 C ATOM 108 O PHE A 8 71.960 -1.911 33.515 1.00 25.23 O ATOM 109 CB PHE A 8 71.043 -1.637 36.851 1.00 73.23 C ATOM 110 CG PHE A 8 71.447 -1.247 38.244 1.00 1.12 C ATOM 111 CD1 PHE A 8 72.290 -2.058 38.988 1.00 64.35 C ATOM 112 CD2 PHE A 8 70.984 -0.071 38.811 1.00 24.23 C ATOM 113 CE1 PHE A 8 72.663 -1.703 40.270 1.00 34.50 C ATOM 114 CE2 PHE A 8 71.353 0.289 40.093 1.00 51.52 C ATOM 115 CZ PHE A 8 72.194 -0.527 40.824 1.00 45.03 C ATOM 0 H PHE A 8 72.419 0.030 34.931 1.00 1.20 H new ATOM 0 HA PHE A 8 72.957 -2.481 36.367 1.00 4.42 H new ATOM 0 HB2 PHE A 8 70.378 -0.874 36.447 1.00 73.23 H new ATOM 0 HB3 PHE A 8 70.474 -2.566 36.893 1.00 73.23 H new ATOM 0 HD1 PHE A 8 72.660 -2.978 38.560 1.00 64.35 H new ATOM 0 HD2 PHE A 8 70.327 0.572 38.244 1.00 24.23 H new ATOM 0 HE1 PHE A 8 73.320 -2.344 40.839 1.00 34.50 H new ATOM 0 HE2 PHE A 8 70.984 1.208 40.523 1.00 51.52 H new ATOM 0 HZ PHE A 8 72.484 -0.247 41.826 1.00 45.03 H new ATOM 125 N ASP A 9 71.124 -3.623 34.713 1.00 0.30 N ATOM 126 CA ASP A 9 70.622 -4.338 33.545 1.00 11.14 C ATOM 127 C ASP A 9 69.854 -5.589 33.963 1.00 52.50 C ATOM 128 O ASP A 9 69.763 -5.906 35.149 1.00 53.15 O ATOM 129 CB ASP A 9 71.778 -4.721 32.619 1.00 53.44 C ATOM 130 CG ASP A 9 71.355 -4.789 31.165 1.00 21.52 C ATOM 131 OD1 ASP A 9 70.952 -3.744 30.614 1.00 15.51 O ATOM 132 OD2 ASP A 9 71.426 -5.890 30.577 1.00 34.04 O ATOM 0 H ASP A 9 70.947 -4.091 35.602 1.00 0.30 H new ATOM 0 HA ASP A 9 69.941 -3.676 33.009 1.00 11.14 H new ATOM 0 HB2 ASP A 9 72.583 -3.994 32.727 1.00 53.44 H new ATOM 0 HB3 ASP A 9 72.179 -5.688 32.924 1.00 53.44 H new ATOM 137 N ALA A 10 69.303 -6.295 32.982 1.00 50.45 N ATOM 138 CA ALA A 10 68.544 -7.510 33.247 1.00 52.30 C ATOM 139 C ALA A 10 68.551 -8.438 32.037 1.00 41.23 C ATOM 140 O ALA A 10 69.110 -8.106 30.992 1.00 53.33 O ATOM 141 CB ALA A 10 67.116 -7.164 33.641 1.00 75.42 C ATOM 0 H ALA A 10 69.368 -6.046 31.995 1.00 50.45 H new ATOM 0 HA ALA A 10 69.022 -8.034 34.075 1.00 52.30 H new ATOM 0 HB1 ALA A 10 66.560 -8.081 33.836 1.00 75.42 H new ATOM 0 HB2 ALA A 10 67.126 -6.547 34.540 1.00 75.42 H new ATOM 0 HB3 ALA A 10 66.638 -6.615 32.830 1.00 75.42 H new ATOM 147 N ALA A 11 67.929 -9.602 32.186 1.00 53.20 N ATOM 148 CA ALA A 11 67.864 -10.577 31.104 1.00 74.31 C ATOM 149 C ALA A 11 66.420 -10.968 30.805 1.00 21.22 C ATOM 150 O ALA A 11 65.862 -10.579 29.778 1.00 51.11 O ATOM 151 CB ALA A 11 68.684 -11.809 31.455 1.00 63.35 C ATOM 0 H ALA A 11 67.463 -9.893 33.045 1.00 53.20 H new ATOM 0 HA ALA A 11 68.282 -10.119 30.208 1.00 74.31 H new ATOM 0 HB1 ALA A 11 68.627 -12.529 30.639 1.00 63.35 H new ATOM 0 HB2 ALA A 11 69.723 -11.521 31.613 1.00 63.35 H new ATOM 0 HB3 ALA A 11 68.290 -12.261 32.365 1.00 63.35 H new ATOM 157 N ILE A 12 65.821 -11.739 31.706 1.00 24.14 N ATOM 158 CA ILE A 12 64.443 -12.182 31.538 1.00 5.21 C ATOM 159 C ILE A 12 64.281 -13.000 30.261 1.00 64.15 C ATOM 160 O ILE A 12 63.681 -12.540 29.289 1.00 24.44 O ATOM 161 CB ILE A 12 63.470 -10.989 31.497 1.00 11.12 C ATOM 162 CG1 ILE A 12 63.711 -10.066 32.693 1.00 70.31 C ATOM 163 CG2 ILE A 12 62.029 -11.481 31.482 1.00 2.41 C ATOM 164 CD1 ILE A 12 62.824 -8.840 32.697 1.00 2.23 C ATOM 0 H ILE A 12 66.269 -12.070 32.560 1.00 24.14 H new ATOM 0 HA ILE A 12 64.204 -12.806 32.399 1.00 5.21 H new ATOM 0 HB ILE A 12 63.650 -10.423 30.583 1.00 11.12 H new ATOM 0 HG12 ILE A 12 63.547 -10.626 33.613 1.00 70.31 H new ATOM 0 HG13 ILE A 12 64.754 -9.750 32.694 1.00 70.31 H new ATOM 0 HG21 ILE A 12 61.353 -10.626 31.453 1.00 2.41 H new ATOM 0 HG22 ILE A 12 61.866 -12.103 30.602 1.00 2.41 H new ATOM 0 HG23 ILE A 12 61.835 -12.067 32.381 1.00 2.41 H new ATOM 0 HD11 ILE A 12 63.049 -8.231 33.573 1.00 2.23 H new ATOM 0 HD12 ILE A 12 63.005 -8.257 31.794 1.00 2.23 H new ATOM 0 HD13 ILE A 12 61.779 -9.147 32.728 1.00 2.23 H new ATOM 176 N ALA A 13 64.818 -14.216 30.271 1.00 43.44 N ATOM 177 CA ALA A 13 64.730 -15.100 29.115 1.00 41.24 C ATOM 178 C ALA A 13 64.739 -16.563 29.541 1.00 33.54 C ATOM 179 O ALA A 13 65.013 -16.881 30.699 1.00 44.33 O ATOM 180 CB ALA A 13 65.873 -14.823 28.150 1.00 52.13 C ATOM 0 H ALA A 13 65.319 -14.611 31.067 1.00 43.44 H new ATOM 0 HA ALA A 13 63.785 -14.902 28.609 1.00 41.24 H new ATOM 0 HB1 ALA A 13 65.794 -15.490 27.292 1.00 52.13 H new ATOM 0 HB2 ALA A 13 65.820 -13.788 27.811 1.00 52.13 H new ATOM 0 HB3 ALA A 13 66.824 -14.992 28.655 1.00 52.13 H new ATOM 186 N ARG A 14 64.435 -17.451 28.601 1.00 60.43 N ATOM 187 CA ARG A 14 64.405 -18.882 28.880 1.00 12.44 C ATOM 188 C ARG A 14 65.006 -19.674 27.723 1.00 63.41 C ATOM 189 O ARG A 14 65.502 -19.098 26.755 1.00 23.53 O ATOM 190 CB ARG A 14 62.970 -19.344 29.139 1.00 45.45 C ATOM 191 CG ARG A 14 62.259 -18.547 30.220 1.00 51.21 C ATOM 192 CD ARG A 14 62.724 -18.955 31.609 1.00 73.20 C ATOM 193 NE ARG A 14 62.130 -20.219 32.035 1.00 34.12 N ATOM 194 CZ ARG A 14 62.473 -20.854 33.151 1.00 54.15 C ATOM 195 NH1 ARG A 14 63.401 -20.343 33.948 1.00 23.03 N ATOM 196 NH2 ARG A 14 61.886 -22.000 33.471 1.00 40.44 N ATOM 0 H ARG A 14 64.206 -17.205 27.638 1.00 60.43 H new ATOM 0 HA ARG A 14 65.004 -19.065 29.772 1.00 12.44 H new ATOM 0 HB2 ARG A 14 62.401 -19.271 28.212 1.00 45.45 H new ATOM 0 HB3 ARG A 14 62.982 -20.396 29.424 1.00 45.45 H new ATOM 0 HG2 ARG A 14 62.444 -17.483 30.071 1.00 51.21 H new ATOM 0 HG3 ARG A 14 61.183 -18.698 30.136 1.00 51.21 H new ATOM 0 HD2 ARG A 14 63.810 -19.044 31.616 1.00 73.20 H new ATOM 0 HD3 ARG A 14 62.464 -18.173 32.323 1.00 73.20 H new ATOM 0 HE ARG A 14 61.412 -20.638 31.443 1.00 34.12 H new ATOM 0 HH11 ARG A 14 63.853 -19.461 33.705 1.00 23.03 H new ATOM 0 HH12 ARG A 14 63.663 -20.831 34.804 1.00 23.03 H new ATOM 0 HH21 ARG A 14 61.171 -22.395 32.860 1.00 40.44 H new ATOM 0 HH22 ARG A 14 62.150 -22.486 34.328 1.00 40.44 H new ATOM 210 N ALA A 15 64.957 -20.998 27.831 1.00 12.41 N ATOM 211 CA ALA A 15 65.495 -21.869 26.793 1.00 2.03 C ATOM 212 C ALA A 15 64.656 -23.135 26.651 1.00 1.13 C ATOM 213 O ALA A 15 63.594 -23.259 27.260 1.00 20.24 O ATOM 214 CB ALA A 15 66.942 -22.224 27.099 1.00 3.11 C ATOM 0 H ALA A 15 64.550 -21.490 28.626 1.00 12.41 H new ATOM 0 HA ALA A 15 65.458 -21.331 25.846 1.00 2.03 H new ATOM 0 HB1 ALA A 15 67.330 -22.875 26.316 1.00 3.11 H new ATOM 0 HB2 ALA A 15 67.539 -21.313 27.143 1.00 3.11 H new ATOM 0 HB3 ALA A 15 66.995 -22.739 28.058 1.00 3.11 H new ATOM 220 N ASP A 16 65.141 -24.072 25.843 1.00 14.34 N ATOM 221 CA ASP A 16 64.436 -25.330 25.622 1.00 51.31 C ATOM 222 C ASP A 16 65.413 -26.444 25.262 1.00 65.10 C ATOM 223 O ASP A 16 66.628 -26.252 25.297 1.00 2.50 O ATOM 224 CB ASP A 16 63.397 -25.167 24.512 1.00 43.12 C ATOM 225 CG ASP A 16 64.003 -25.297 23.128 1.00 3.34 C ATOM 226 OD1 ASP A 16 65.020 -24.623 22.859 1.00 0.02 O ATOM 227 OD2 ASP A 16 63.461 -26.074 22.313 1.00 54.54 O ATOM 0 H ASP A 16 66.019 -23.984 25.331 1.00 14.34 H new ATOM 0 HA ASP A 16 63.928 -25.602 26.547 1.00 51.31 H new ATOM 0 HB2 ASP A 16 62.617 -25.918 24.636 1.00 43.12 H new ATOM 0 HB3 ASP A 16 62.919 -24.192 24.606 1.00 43.12 H new ATOM 232 N GLU A 17 64.874 -27.609 24.918 1.00 43.13 N ATOM 233 CA GLU A 17 65.700 -28.754 24.553 1.00 32.32 C ATOM 234 C GLU A 17 65.011 -29.605 23.488 1.00 14.41 C ATOM 235 O GLU A 17 63.880 -29.325 23.090 1.00 25.53 O ATOM 236 CB GLU A 17 66.000 -29.607 25.787 1.00 22.41 C ATOM 237 CG GLU A 17 64.804 -29.790 26.708 1.00 42.44 C ATOM 238 CD GLU A 17 64.730 -31.184 27.298 1.00 15.31 C ATOM 239 OE1 GLU A 17 65.798 -31.796 27.511 1.00 70.54 O ATOM 240 OE2 GLU A 17 63.604 -31.663 27.548 1.00 20.14 O ATOM 0 H GLU A 17 63.870 -27.785 24.884 1.00 43.13 H new ATOM 0 HA GLU A 17 66.637 -28.378 24.143 1.00 32.32 H new ATOM 0 HB2 GLU A 17 66.352 -30.587 25.464 1.00 22.41 H new ATOM 0 HB3 GLU A 17 66.813 -29.145 26.348 1.00 22.41 H new ATOM 0 HG2 GLU A 17 64.857 -29.060 27.516 1.00 42.44 H new ATOM 0 HG3 GLU A 17 63.888 -29.585 26.153 1.00 42.44 H new ATOM 247 N THR A 18 65.703 -30.645 23.032 1.00 52.23 N ATOM 248 CA THR A 18 65.160 -31.535 22.014 1.00 41.12 C ATOM 249 C THR A 18 65.880 -32.879 22.018 1.00 40.31 C ATOM 250 O THR A 18 67.056 -32.962 22.375 1.00 42.14 O ATOM 251 CB THR A 18 65.268 -30.912 20.608 1.00 11.12 C ATOM 252 OG1 THR A 18 66.443 -30.098 20.522 1.00 32.31 O ATOM 253 CG2 THR A 18 64.040 -30.073 20.293 1.00 74.54 C ATOM 0 H THR A 18 66.640 -30.891 23.352 1.00 52.23 H new ATOM 0 HA THR A 18 64.108 -31.688 22.256 1.00 41.12 H new ATOM 0 HB THR A 18 65.333 -31.721 19.880 1.00 11.12 H new ATOM 0 HG1 THR A 18 66.505 -29.707 19.625 1.00 32.31 H new ATOM 0 HG21 THR A 18 64.139 -29.644 19.296 1.00 74.54 H new ATOM 0 HG22 THR A 18 63.150 -30.702 20.331 1.00 74.54 H new ATOM 0 HG23 THR A 18 63.949 -29.271 21.026 1.00 74.54 H new ATOM 261 N ILE A 19 65.168 -33.927 21.618 1.00 14.54 N ATOM 262 CA ILE A 19 65.742 -35.266 21.575 1.00 34.51 C ATOM 263 C ILE A 19 65.343 -35.993 20.296 1.00 23.35 C ATOM 264 O ILE A 19 64.215 -36.467 20.164 1.00 35.41 O ATOM 265 CB ILE A 19 65.301 -36.107 22.788 1.00 72.11 C ATOM 266 CG1 ILE A 19 65.724 -35.425 24.091 1.00 40.34 C ATOM 267 CG2 ILE A 19 65.888 -37.508 22.703 1.00 34.02 C ATOM 268 CD1 ILE A 19 67.224 -35.351 24.274 1.00 1.55 C ATOM 0 H ILE A 19 64.194 -33.875 21.319 1.00 14.54 H new ATOM 0 HA ILE A 19 66.825 -35.146 21.600 1.00 34.51 H new ATOM 0 HB ILE A 19 64.214 -36.188 22.779 1.00 72.11 H new ATOM 0 HG12 ILE A 19 65.313 -34.416 24.114 1.00 40.34 H new ATOM 0 HG13 ILE A 19 65.289 -35.965 24.932 1.00 40.34 H new ATOM 0 HG21 ILE A 19 65.567 -38.090 23.567 1.00 34.02 H new ATOM 0 HG22 ILE A 19 65.542 -37.993 21.790 1.00 34.02 H new ATOM 0 HG23 ILE A 19 66.976 -37.446 22.691 1.00 34.02 H new ATOM 0 HD11 ILE A 19 67.451 -34.856 25.218 1.00 1.55 H new ATOM 0 HD12 ILE A 19 67.640 -36.359 24.284 1.00 1.55 H new ATOM 0 HD13 ILE A 19 67.663 -34.785 23.452 1.00 1.55 H new ATOM 280 N ARG A 20 66.278 -36.079 19.355 1.00 24.31 N ATOM 281 CA ARG A 20 66.025 -36.750 18.085 1.00 15.35 C ATOM 282 C ARG A 20 67.212 -37.621 17.684 1.00 13.42 C ATOM 283 O ARG A 20 68.291 -37.526 18.268 1.00 53.11 O ATOM 284 CB ARG A 20 65.739 -35.721 16.989 1.00 30.14 C ATOM 285 CG ARG A 20 64.700 -36.180 15.980 1.00 52.34 C ATOM 286 CD ARG A 20 63.913 -35.006 15.419 1.00 60.33 C ATOM 287 NE ARG A 20 63.131 -34.328 16.450 1.00 12.00 N ATOM 288 CZ ARG A 20 61.985 -34.797 16.931 1.00 2.31 C ATOM 289 NH1 ARG A 20 61.489 -35.939 16.476 1.00 63.12 N ATOM 290 NH2 ARG A 20 61.332 -34.122 17.869 1.00 3.21 N ATOM 0 H ARG A 20 67.217 -35.693 19.448 1.00 24.31 H new ATOM 0 HA ARG A 20 65.152 -37.391 18.209 1.00 15.35 H new ATOM 0 HB2 ARG A 20 65.399 -34.794 17.452 1.00 30.14 H new ATOM 0 HB3 ARG A 20 66.667 -35.494 16.465 1.00 30.14 H new ATOM 0 HG2 ARG A 20 65.192 -36.712 15.166 1.00 52.34 H new ATOM 0 HG3 ARG A 20 64.017 -36.884 16.454 1.00 52.34 H new ATOM 0 HD2 ARG A 20 64.600 -34.296 14.959 1.00 60.33 H new ATOM 0 HD3 ARG A 20 63.246 -35.359 14.632 1.00 60.33 H new ATOM 0 HE ARG A 20 63.484 -33.446 16.821 1.00 12.00 H new ATOM 0 HH11 ARG A 20 61.988 -36.460 15.755 1.00 63.12 H new ATOM 0 HH12 ARG A 20 60.609 -36.297 16.847 1.00 63.12 H new ATOM 0 HH21 ARG A 20 61.710 -33.242 18.221 1.00 3.21 H new ATOM 0 HH22 ARG A 20 60.452 -34.483 18.238 1.00 3.21 H new ATOM 304 N GLY A 21 67.004 -38.470 16.682 1.00 0.04 N ATOM 305 CA GLY A 21 68.065 -39.346 16.221 1.00 63.01 C ATOM 306 C GLY A 21 68.625 -38.921 14.878 1.00 31.13 C ATOM 307 O GLY A 21 69.054 -37.779 14.710 1.00 62.52 O ATOM 0 H GLY A 21 66.120 -38.567 16.182 1.00 0.04 H new ATOM 0 HA2 GLY A 21 68.868 -39.359 16.958 1.00 63.01 H new ATOM 0 HA3 GLY A 21 67.684 -40.365 16.147 1.00 63.01 H new ATOM 311 N TYR A 22 68.623 -39.841 13.920 1.00 62.03 N ATOM 312 CA TYR A 22 69.139 -39.557 12.586 1.00 73.33 C ATOM 313 C TYR A 22 68.708 -40.634 11.595 1.00 42.03 C ATOM 314 O TYR A 22 68.796 -41.827 11.881 1.00 12.03 O ATOM 315 CB TYR A 22 70.665 -39.456 12.617 1.00 64.31 C ATOM 316 CG TYR A 22 71.336 -40.642 13.271 1.00 0.43 C ATOM 317 CD1 TYR A 22 71.629 -41.788 12.543 1.00 23.14 C ATOM 318 CD2 TYR A 22 71.679 -40.616 14.617 1.00 1.54 C ATOM 319 CE1 TYR A 22 72.242 -42.875 13.137 1.00 4.30 C ATOM 320 CE2 TYR A 22 72.294 -41.697 15.219 1.00 53.55 C ATOM 321 CZ TYR A 22 72.573 -42.824 14.475 1.00 0.13 C ATOM 322 OH TYR A 22 73.185 -43.903 15.070 1.00 72.12 O ATOM 0 H TYR A 22 68.270 -40.790 14.042 1.00 62.03 H new ATOM 0 HA TYR A 22 68.726 -38.603 12.260 1.00 73.33 H new ATOM 0 HB2 TYR A 22 71.035 -39.357 11.597 1.00 64.31 H new ATOM 0 HB3 TYR A 22 70.950 -38.549 13.149 1.00 64.31 H new ATOM 0 HD1 TYR A 22 71.373 -41.830 11.495 1.00 23.14 H new ATOM 0 HD2 TYR A 22 71.461 -39.735 15.203 1.00 1.54 H new ATOM 0 HE1 TYR A 22 72.461 -43.759 12.557 1.00 4.30 H new ATOM 0 HE2 TYR A 22 72.555 -41.659 16.266 1.00 53.55 H new ATOM 0 HH TYR A 22 73.352 -43.704 16.015 1.00 72.12 H new ATOM 332 N MET A 23 68.243 -40.202 10.427 1.00 4.21 N ATOM 333 CA MET A 23 67.801 -41.128 9.391 1.00 30.41 C ATOM 334 C MET A 23 67.571 -40.399 8.072 1.00 65.30 C ATOM 335 O MET A 23 67.332 -39.192 8.052 1.00 40.10 O ATOM 336 CB MET A 23 66.517 -41.837 9.826 1.00 4.04 C ATOM 337 CG MET A 23 65.328 -40.903 9.977 1.00 54.33 C ATOM 338 SD MET A 23 64.269 -41.346 11.369 1.00 62.14 S ATOM 339 CE MET A 23 62.705 -40.652 10.837 1.00 4.32 C ATOM 0 H MET A 23 68.163 -39.217 10.175 1.00 4.21 H new ATOM 0 HA MET A 23 68.586 -41.870 9.243 1.00 30.41 H new ATOM 0 HB2 MET A 23 66.272 -42.608 9.096 1.00 4.04 H new ATOM 0 HB3 MET A 23 66.695 -42.342 10.775 1.00 4.04 H new ATOM 0 HG2 MET A 23 65.687 -39.882 10.109 1.00 54.33 H new ATOM 0 HG3 MET A 23 64.740 -40.918 9.059 1.00 54.33 H new ATOM 0 HE1 MET A 23 61.945 -40.844 11.595 1.00 4.32 H new ATOM 0 HE2 MET A 23 62.813 -39.577 10.696 1.00 4.32 H new ATOM 0 HE3 MET A 23 62.404 -41.113 9.896 1.00 4.32 H new ATOM 349 N GLY A 24 67.645 -41.140 6.969 1.00 35.12 N ATOM 350 CA GLY A 24 67.442 -40.546 5.661 1.00 1.01 C ATOM 351 C GLY A 24 68.639 -39.738 5.200 1.00 74.32 C ATOM 352 O GLY A 24 69.618 -40.293 4.701 1.00 61.32 O ATOM 0 H GLY A 24 67.842 -42.141 6.959 1.00 35.12 H new ATOM 0 HA2 GLY A 24 67.238 -41.333 4.935 1.00 1.01 H new ATOM 0 HA3 GLY A 24 66.562 -39.903 5.690 1.00 1.01 H new ATOM 356 N THR A 25 68.561 -38.421 5.365 1.00 35.14 N ATOM 357 CA THR A 25 69.644 -37.534 4.961 1.00 2.13 C ATOM 358 C THR A 25 70.506 -37.139 6.154 1.00 42.30 C ATOM 359 O THR A 25 70.082 -36.361 7.008 1.00 14.21 O ATOM 360 CB THR A 25 69.105 -36.260 4.286 1.00 53.11 C ATOM 361 OG1 THR A 25 68.172 -35.604 5.153 1.00 50.32 O ATOM 362 CG2 THR A 25 68.429 -36.591 2.964 1.00 20.15 C ATOM 0 H THR A 25 67.758 -37.945 5.776 1.00 35.14 H new ATOM 0 HA THR A 25 70.253 -38.085 4.244 1.00 2.13 H new ATOM 0 HB THR A 25 69.947 -35.597 4.089 1.00 53.11 H new ATOM 0 HG1 THR A 25 67.606 -35.000 4.628 1.00 50.32 H new ATOM 0 HG21 THR A 25 68.056 -35.675 2.506 1.00 20.15 H new ATOM 0 HG22 THR A 25 69.149 -37.064 2.296 1.00 20.15 H new ATOM 0 HG23 THR A 25 67.597 -37.272 3.141 1.00 20.15 H new ATOM 370 N SER A 26 71.720 -37.678 6.207 1.00 21.34 N ATOM 371 CA SER A 26 72.641 -37.383 7.298 1.00 10.21 C ATOM 372 C SER A 26 73.260 -35.999 7.128 1.00 45.01 C ATOM 373 O SER A 26 73.900 -35.713 6.115 1.00 23.44 O ATOM 374 CB SER A 26 73.743 -38.442 7.364 1.00 1.30 C ATOM 375 OG SER A 26 74.989 -37.909 6.948 1.00 31.03 O ATOM 0 H SER A 26 72.089 -38.322 5.507 1.00 21.34 H new ATOM 0 HA SER A 26 72.077 -37.397 8.230 1.00 10.21 H new ATOM 0 HB2 SER A 26 73.828 -38.820 8.383 1.00 1.30 H new ATOM 0 HB3 SER A 26 73.477 -39.288 6.731 1.00 1.30 H new ATOM 0 HG SER A 26 74.838 -37.203 6.285 1.00 31.03 H new ATOM 381 N ALA A 27 73.064 -35.143 8.125 1.00 43.01 N ATOM 382 CA ALA A 27 73.605 -33.790 8.087 1.00 73.32 C ATOM 383 C ALA A 27 73.878 -33.268 9.494 1.00 5.42 C ATOM 384 O ALA A 27 73.348 -33.789 10.475 1.00 32.20 O ATOM 385 CB ALA A 27 72.647 -32.860 7.354 1.00 12.44 C ATOM 0 H ALA A 27 72.535 -35.362 8.969 1.00 43.01 H new ATOM 0 HA ALA A 27 74.552 -33.818 7.548 1.00 73.32 H new ATOM 0 HB1 ALA A 27 73.063 -31.853 7.333 1.00 12.44 H new ATOM 0 HB2 ALA A 27 72.504 -33.215 6.333 1.00 12.44 H new ATOM 0 HB3 ALA A 27 71.687 -32.845 7.871 1.00 12.44 H new ATOM 391 N THR A 28 74.712 -32.237 9.586 1.00 33.42 N ATOM 392 CA THR A 28 75.058 -31.647 10.872 1.00 13.34 C ATOM 393 C THR A 28 74.935 -30.127 10.831 1.00 22.15 C ATOM 394 O THR A 28 75.906 -29.425 10.546 1.00 74.34 O ATOM 395 CB THR A 28 76.491 -32.023 11.296 1.00 62.03 C ATOM 396 OG1 THR A 28 76.540 -33.401 11.683 1.00 1.52 O ATOM 397 CG2 THR A 28 76.961 -31.150 12.450 1.00 41.24 C ATOM 0 H THR A 28 75.160 -31.793 8.784 1.00 33.42 H new ATOM 0 HA THR A 28 74.354 -32.047 11.602 1.00 13.34 H new ATOM 0 HB THR A 28 77.153 -31.860 10.446 1.00 62.03 H new ATOM 0 HG1 THR A 28 77.454 -33.634 11.950 1.00 1.52 H new ATOM 0 HG21 THR A 28 77.975 -31.434 12.732 1.00 41.24 H new ATOM 0 HG22 THR A 28 76.949 -30.104 12.143 1.00 41.24 H new ATOM 0 HG23 THR A 28 76.296 -31.285 13.303 1.00 41.24 H new ATOM 405 N ILE A 29 73.739 -29.628 11.119 1.00 71.45 N ATOM 406 CA ILE A 29 73.491 -28.191 11.117 1.00 63.31 C ATOM 407 C ILE A 29 74.629 -27.435 11.793 1.00 22.04 C ATOM 408 O ILE A 29 75.022 -27.757 12.915 1.00 2.44 O ATOM 409 CB ILE A 29 72.167 -27.847 11.826 1.00 3.23 C ATOM 410 CG1 ILE A 29 71.937 -28.791 13.008 1.00 23.14 C ATOM 411 CG2 ILE A 29 71.006 -27.922 10.847 1.00 0.31 C ATOM 412 CD1 ILE A 29 70.731 -28.429 13.845 1.00 51.13 C ATOM 0 H ILE A 29 72.926 -30.196 11.357 1.00 71.45 H new ATOM 0 HA ILE A 29 73.425 -27.884 10.073 1.00 63.31 H new ATOM 0 HB ILE A 29 72.230 -26.827 12.206 1.00 3.23 H new ATOM 0 HG12 ILE A 29 71.817 -29.807 12.633 1.00 23.14 H new ATOM 0 HG13 ILE A 29 72.823 -28.788 13.642 1.00 23.14 H new ATOM 0 HG21 ILE A 29 70.078 -27.676 11.363 1.00 0.31 H new ATOM 0 HG22 ILE A 29 71.168 -27.213 10.035 1.00 0.31 H new ATOM 0 HG23 ILE A 29 70.938 -28.931 10.439 1.00 0.31 H new ATOM 0 HD11 ILE A 29 70.630 -29.141 14.664 1.00 51.13 H new ATOM 0 HD12 ILE A 29 70.857 -27.425 14.250 1.00 51.13 H new ATOM 0 HD13 ILE A 29 69.835 -28.460 13.225 1.00 51.13 H new ATOM 424 N THR A 30 75.154 -26.427 11.104 1.00 5.24 N ATOM 425 CA THR A 30 76.248 -25.624 11.638 1.00 62.52 C ATOM 426 C THR A 30 76.239 -24.220 11.046 1.00 75.42 C ATOM 427 O THR A 30 76.683 -24.008 9.918 1.00 15.00 O ATOM 428 CB THR A 30 77.614 -26.278 11.358 1.00 22.40 C ATOM 429 OG1 THR A 30 77.572 -27.667 11.704 1.00 41.40 O ATOM 430 CG2 THR A 30 78.717 -25.587 12.145 1.00 63.33 C ATOM 0 H THR A 30 74.840 -26.147 10.175 1.00 5.24 H new ATOM 0 HA THR A 30 76.097 -25.562 12.716 1.00 62.52 H new ATOM 0 HB THR A 30 77.830 -26.175 10.295 1.00 22.40 H new ATOM 0 HG1 THR A 30 76.927 -28.128 11.128 1.00 41.40 H new ATOM 0 HG21 THR A 30 79.672 -26.067 11.931 1.00 63.33 H new ATOM 0 HG22 THR A 30 78.766 -24.537 11.858 1.00 63.33 H new ATOM 0 HG23 THR A 30 78.505 -25.662 13.211 1.00 63.33 H new ATOM 438 N SER A 31 75.729 -23.262 11.814 1.00 13.22 N ATOM 439 CA SER A 31 75.659 -21.877 11.364 1.00 71.45 C ATOM 440 C SER A 31 75.977 -20.917 12.507 1.00 30.31 C ATOM 441 O SER A 31 75.091 -20.244 13.031 1.00 71.15 O ATOM 442 CB SER A 31 74.271 -21.572 10.798 1.00 73.32 C ATOM 443 OG SER A 31 73.289 -21.588 11.819 1.00 55.32 O ATOM 0 H SER A 31 75.358 -23.420 12.751 1.00 13.22 H new ATOM 0 HA SER A 31 76.402 -21.738 10.579 1.00 71.45 H new ATOM 0 HB2 SER A 31 74.279 -20.596 10.312 1.00 73.32 H new ATOM 0 HB3 SER A 31 74.017 -22.306 10.034 1.00 73.32 H new ATOM 0 HG SER A 31 73.494 -20.895 12.481 1.00 55.32 H new ATOM 449 N GLY A 32 77.249 -20.861 12.888 1.00 4.43 N ATOM 450 CA GLY A 32 77.663 -19.982 13.966 1.00 61.43 C ATOM 451 C GLY A 32 79.156 -20.038 14.220 1.00 24.34 C ATOM 452 O GLY A 32 79.842 -20.931 13.723 1.00 44.02 O ATOM 0 H GLY A 32 78.001 -21.409 12.469 1.00 4.43 H new ATOM 0 HA2 GLY A 32 77.377 -18.958 13.726 1.00 61.43 H new ATOM 0 HA3 GLY A 32 77.132 -20.256 14.878 1.00 61.43 H new ATOM 456 N GLU A 33 79.660 -19.083 14.993 1.00 34.13 N ATOM 457 CA GLU A 33 81.083 -19.027 15.310 1.00 41.12 C ATOM 458 C GLU A 33 81.588 -20.386 15.785 1.00 23.33 C ATOM 459 O GLU A 33 82.779 -20.683 15.694 1.00 52.21 O ATOM 460 CB GLU A 33 81.348 -17.969 16.382 1.00 43.34 C ATOM 461 CG GLU A 33 80.630 -18.236 17.693 1.00 61.21 C ATOM 462 CD GLU A 33 81.163 -17.392 18.834 1.00 43.22 C ATOM 463 OE1 GLU A 33 81.173 -16.150 18.698 1.00 70.13 O ATOM 464 OE2 GLU A 33 81.572 -17.972 19.861 1.00 12.44 O ATOM 0 H GLU A 33 79.105 -18.337 15.412 1.00 34.13 H new ATOM 0 HA GLU A 33 81.621 -18.756 14.402 1.00 41.12 H new ATOM 0 HB2 GLU A 33 82.420 -17.915 16.570 1.00 43.34 H new ATOM 0 HB3 GLU A 33 81.042 -16.994 16.002 1.00 43.34 H new ATOM 0 HG2 GLU A 33 79.566 -18.038 17.566 1.00 61.21 H new ATOM 0 HG3 GLU A 33 80.730 -19.291 17.949 1.00 61.21 H new ATOM 471 N GLN A 34 80.674 -21.207 16.292 1.00 72.52 N ATOM 472 CA GLN A 34 81.026 -22.533 16.783 1.00 22.04 C ATOM 473 C GLN A 34 79.779 -23.316 17.183 1.00 53.32 C ATOM 474 O GLN A 34 79.300 -23.204 18.312 1.00 11.31 O ATOM 475 CB GLN A 34 81.978 -22.423 17.976 1.00 42.44 C ATOM 476 CG GLN A 34 83.384 -22.919 17.680 1.00 60.01 C ATOM 477 CD GLN A 34 83.985 -23.694 18.837 1.00 71.55 C ATOM 478 OE1 GLN A 34 83.314 -24.516 19.462 1.00 3.44 O ATOM 479 NE2 GLN A 34 85.254 -23.434 19.127 1.00 31.12 N ATOM 0 H GLN A 34 79.684 -20.977 16.373 1.00 72.52 H new ATOM 0 HA GLN A 34 81.526 -23.069 15.976 1.00 22.04 H new ATOM 0 HB2 GLN A 34 82.029 -21.382 18.295 1.00 42.44 H new ATOM 0 HB3 GLN A 34 81.569 -22.993 18.810 1.00 42.44 H new ATOM 0 HG2 GLN A 34 83.362 -23.554 16.794 1.00 60.01 H new ATOM 0 HG3 GLN A 34 84.024 -22.068 17.446 1.00 60.01 H new ATOM 0 HE21 GLN A 34 85.771 -22.744 18.581 1.00 31.12 H new ATOM 0 HE22 GLN A 34 85.712 -23.924 19.895 1.00 31.12 H new ATOM 488 N SER A 35 79.257 -24.105 16.251 1.00 25.15 N ATOM 489 CA SER A 35 78.064 -24.903 16.505 1.00 75.12 C ATOM 490 C SER A 35 78.134 -26.237 15.768 1.00 12.11 C ATOM 491 O SER A 35 78.957 -26.421 14.873 1.00 20.50 O ATOM 492 CB SER A 35 76.811 -24.135 16.076 1.00 33.24 C ATOM 493 OG SER A 35 76.307 -23.348 17.141 1.00 52.01 O ATOM 0 H SER A 35 79.642 -24.209 15.312 1.00 25.15 H new ATOM 0 HA SER A 35 78.012 -25.102 17.575 1.00 75.12 H new ATOM 0 HB2 SER A 35 77.046 -23.495 15.226 1.00 33.24 H new ATOM 0 HB3 SER A 35 76.046 -24.837 15.744 1.00 33.24 H new ATOM 0 HG SER A 35 77.042 -23.096 17.738 1.00 52.01 H new ATOM 499 N GLY A 36 77.263 -27.165 16.154 1.00 64.53 N ATOM 500 CA GLY A 36 77.242 -28.471 15.520 1.00 71.05 C ATOM 501 C GLY A 36 76.173 -29.378 16.096 1.00 12.14 C ATOM 502 O GLY A 36 76.436 -30.150 17.018 1.00 24.35 O ATOM 0 H GLY A 36 76.572 -27.036 16.893 1.00 64.53 H new ATOM 0 HA2 GLY A 36 77.073 -28.349 14.450 1.00 71.05 H new ATOM 0 HA3 GLY A 36 78.217 -28.944 15.637 1.00 71.05 H new ATOM 506 N ALA A 37 74.963 -29.283 15.555 1.00 65.34 N ATOM 507 CA ALA A 37 73.852 -30.103 16.021 1.00 73.43 C ATOM 508 C ALA A 37 73.524 -31.206 15.021 1.00 3.52 C ATOM 509 O ALA A 37 74.238 -31.396 14.036 1.00 63.23 O ATOM 510 CB ALA A 37 72.626 -29.235 16.272 1.00 23.40 C ATOM 0 H ALA A 37 74.727 -28.646 14.794 1.00 65.34 H new ATOM 0 HA ALA A 37 74.150 -30.575 16.957 1.00 73.43 H new ATOM 0 HB1 ALA A 37 71.803 -29.859 16.620 1.00 23.40 H new ATOM 0 HB2 ALA A 37 72.859 -28.487 17.030 1.00 23.40 H new ATOM 0 HB3 ALA A 37 72.337 -28.737 15.347 1.00 23.40 H new ATOM 516 N VAL A 38 72.442 -31.933 15.280 1.00 41.24 N ATOM 517 CA VAL A 38 72.021 -33.017 14.402 1.00 30.41 C ATOM 518 C VAL A 38 70.889 -32.572 13.483 1.00 31.31 C ATOM 519 O VAL A 38 69.839 -32.127 13.946 1.00 20.31 O ATOM 520 CB VAL A 38 71.559 -34.245 15.209 1.00 63.40 C ATOM 521 CG1 VAL A 38 71.117 -35.362 14.276 1.00 25.31 C ATOM 522 CG2 VAL A 38 72.668 -34.721 16.135 1.00 12.23 C ATOM 0 H VAL A 38 71.841 -31.790 16.092 1.00 41.24 H new ATOM 0 HA VAL A 38 72.887 -33.291 13.800 1.00 30.41 H new ATOM 0 HB VAL A 38 70.704 -33.956 15.821 1.00 63.40 H new ATOM 0 HG11 VAL A 38 70.794 -36.221 14.864 1.00 25.31 H new ATOM 0 HG12 VAL A 38 70.289 -35.014 13.658 1.00 25.31 H new ATOM 0 HG13 VAL A 38 71.950 -35.653 13.636 1.00 25.31 H new ATOM 0 HG21 VAL A 38 72.325 -35.589 16.698 1.00 12.23 H new ATOM 0 HG22 VAL A 38 73.543 -34.994 15.545 1.00 12.23 H new ATOM 0 HG23 VAL A 38 72.932 -33.921 16.827 1.00 12.23 H new ATOM 532 N ILE A 39 71.110 -32.697 12.178 1.00 54.53 N ATOM 533 CA ILE A 39 70.108 -32.308 11.193 1.00 13.22 C ATOM 534 C ILE A 39 70.001 -33.344 10.081 1.00 22.10 C ATOM 535 O ILE A 39 70.987 -33.987 9.719 1.00 11.04 O ATOM 536 CB ILE A 39 70.431 -30.936 10.573 1.00 62.34 C ATOM 537 CG1 ILE A 39 69.255 -30.445 9.727 1.00 62.31 C ATOM 538 CG2 ILE A 39 71.697 -31.019 9.733 1.00 71.13 C ATOM 539 CD1 ILE A 39 69.439 -30.676 8.243 1.00 11.40 C ATOM 0 H ILE A 39 71.974 -33.064 11.779 1.00 54.53 H new ATOM 0 HA ILE A 39 69.156 -32.244 11.719 1.00 13.22 H new ATOM 0 HB ILE A 39 70.599 -30.220 11.378 1.00 62.34 H new ATOM 0 HG12 ILE A 39 68.346 -30.950 10.055 1.00 62.31 H new ATOM 0 HG13 ILE A 39 69.110 -29.380 9.905 1.00 62.31 H new ATOM 0 HG21 ILE A 39 71.912 -30.041 9.301 1.00 71.13 H new ATOM 0 HG22 ILE A 39 72.531 -31.330 10.362 1.00 71.13 H new ATOM 0 HG23 ILE A 39 71.556 -31.746 8.933 1.00 71.13 H new ATOM 0 HD11 ILE A 39 68.567 -30.303 7.706 1.00 11.40 H new ATOM 0 HD12 ILE A 39 70.329 -30.148 7.900 1.00 11.40 H new ATOM 0 HD13 ILE A 39 69.554 -31.743 8.052 1.00 11.40 H new ATOM 551 N ARG A 40 68.797 -33.501 9.540 1.00 51.34 N ATOM 552 CA ARG A 40 68.561 -34.459 8.466 1.00 20.44 C ATOM 553 C ARG A 40 68.316 -33.743 7.142 1.00 4.52 C ATOM 554 O ARG A 40 67.174 -33.554 6.727 1.00 70.40 O ATOM 555 CB ARG A 40 67.364 -35.351 8.804 1.00 0.31 C ATOM 556 CG ARG A 40 67.649 -36.362 9.902 1.00 34.14 C ATOM 557 CD ARG A 40 67.377 -35.779 11.281 1.00 43.14 C ATOM 558 NE ARG A 40 66.958 -36.802 12.235 1.00 51.11 N ATOM 559 CZ ARG A 40 65.777 -37.408 12.190 1.00 32.24 C ATOM 560 NH1 ARG A 40 64.903 -37.097 11.243 1.00 61.02 N ATOM 561 NH2 ARG A 40 65.468 -38.330 13.094 1.00 72.13 N ATOM 0 H ARG A 40 67.970 -32.977 9.828 1.00 51.34 H new ATOM 0 HA ARG A 40 69.452 -35.079 8.364 1.00 20.44 H new ATOM 0 HB2 ARG A 40 66.528 -34.722 9.109 1.00 0.31 H new ATOM 0 HB3 ARG A 40 67.052 -35.882 7.905 1.00 0.31 H new ATOM 0 HG2 ARG A 40 67.031 -37.248 9.752 1.00 34.14 H new ATOM 0 HG3 ARG A 40 68.688 -36.684 9.841 1.00 34.14 H new ATOM 0 HD2 ARG A 40 68.276 -35.286 11.650 1.00 43.14 H new ATOM 0 HD3 ARG A 40 66.603 -35.015 11.205 1.00 43.14 H new ATOM 0 HE ARG A 40 67.607 -37.065 12.976 1.00 51.11 H new ATOM 0 HH11 ARG A 40 65.137 -36.390 10.546 1.00 61.02 H new ATOM 0 HH12 ARG A 40 63.997 -37.565 11.212 1.00 61.02 H new ATOM 0 HH21 ARG A 40 66.138 -38.573 13.824 1.00 72.13 H new ATOM 0 HH22 ARG A 40 64.561 -38.795 13.059 1.00 72.13 H new ATOM 575 N GLY A 41 69.401 -33.345 6.481 1.00 75.20 N ATOM 576 CA GLY A 41 69.283 -32.654 5.211 1.00 52.14 C ATOM 577 C GLY A 41 70.376 -33.043 4.235 1.00 34.31 C ATOM 578 O GLY A 41 71.525 -33.243 4.627 1.00 41.55 O ATOM 0 H GLY A 41 70.358 -33.489 6.803 1.00 75.20 H new ATOM 0 HA2 GLY A 41 68.311 -32.875 4.770 1.00 52.14 H new ATOM 0 HA3 GLY A 41 69.319 -31.578 5.382 1.00 52.14 H new ATOM 582 N VAL A 42 70.016 -33.154 2.960 1.00 0.25 N ATOM 583 CA VAL A 42 70.974 -33.524 1.925 1.00 22.31 C ATOM 584 C VAL A 42 70.948 -32.528 0.772 1.00 2.13 C ATOM 585 O VAL A 42 69.889 -32.029 0.392 1.00 14.40 O ATOM 586 CB VAL A 42 70.692 -34.936 1.377 1.00 53.14 C ATOM 587 CG1 VAL A 42 69.427 -34.935 0.531 1.00 23.32 C ATOM 588 CG2 VAL A 42 71.880 -35.443 0.574 1.00 70.31 C ATOM 0 H VAL A 42 69.068 -32.993 2.619 1.00 0.25 H new ATOM 0 HA VAL A 42 71.961 -33.513 2.388 1.00 22.31 H new ATOM 0 HB VAL A 42 70.538 -35.611 2.219 1.00 53.14 H new ATOM 0 HG11 VAL A 42 69.242 -35.940 0.152 1.00 23.32 H new ATOM 0 HG12 VAL A 42 68.582 -34.616 1.141 1.00 23.32 H new ATOM 0 HG13 VAL A 42 69.550 -34.248 -0.306 1.00 23.32 H new ATOM 0 HG21 VAL A 42 71.663 -36.442 0.195 1.00 70.31 H new ATOM 0 HG22 VAL A 42 72.068 -34.770 -0.263 1.00 70.31 H new ATOM 0 HG23 VAL A 42 72.762 -35.481 1.214 1.00 70.31 H new ATOM 598 N PHE A 43 72.123 -32.243 0.217 1.00 62.42 N ATOM 599 CA PHE A 43 72.236 -31.305 -0.894 1.00 33.24 C ATOM 600 C PHE A 43 72.104 -32.028 -2.232 1.00 11.41 C ATOM 601 O PHE A 43 72.665 -33.107 -2.423 1.00 52.12 O ATOM 602 CB PHE A 43 73.573 -30.565 -0.831 1.00 14.13 C ATOM 603 CG PHE A 43 74.686 -31.277 -1.546 1.00 14.54 C ATOM 604 CD1 PHE A 43 75.143 -32.504 -1.094 1.00 21.23 C ATOM 605 CD2 PHE A 43 75.275 -30.719 -2.668 1.00 54.35 C ATOM 606 CE1 PHE A 43 76.168 -33.161 -1.749 1.00 32.41 C ATOM 607 CE2 PHE A 43 76.300 -31.371 -3.328 1.00 54.24 C ATOM 608 CZ PHE A 43 76.746 -32.594 -2.868 1.00 25.03 C ATOM 0 H PHE A 43 73.009 -32.648 0.519 1.00 62.42 H new ATOM 0 HA PHE A 43 71.425 -30.582 -0.810 1.00 33.24 H new ATOM 0 HB2 PHE A 43 73.450 -29.572 -1.264 1.00 14.13 H new ATOM 0 HB3 PHE A 43 73.853 -30.425 0.213 1.00 14.13 H new ATOM 0 HD1 PHE A 43 74.694 -32.952 -0.220 1.00 21.23 H new ATOM 0 HD2 PHE A 43 74.929 -29.763 -3.032 1.00 54.35 H new ATOM 0 HE1 PHE A 43 76.516 -34.117 -1.386 1.00 32.41 H new ATOM 0 HE2 PHE A 43 76.751 -30.924 -4.202 1.00 54.24 H new ATOM 0 HZ PHE A 43 77.546 -33.106 -3.382 1.00 25.03 H new ATOM 618 N ASP A 44 71.360 -31.425 -3.152 1.00 31.12 N ATOM 619 CA ASP A 44 71.154 -32.011 -4.472 1.00 14.32 C ATOM 620 C ASP A 44 71.590 -31.043 -5.568 1.00 62.50 C ATOM 621 O ASP A 44 71.128 -29.903 -5.623 1.00 62.40 O ATOM 622 CB ASP A 44 69.685 -32.389 -4.662 1.00 60.41 C ATOM 623 CG ASP A 44 69.466 -33.268 -5.878 1.00 41.12 C ATOM 624 OD1 ASP A 44 69.723 -32.796 -7.005 1.00 72.14 O ATOM 625 OD2 ASP A 44 69.037 -34.428 -5.703 1.00 54.44 O ATOM 0 H ASP A 44 70.890 -30.531 -3.009 1.00 31.12 H new ATOM 0 HA ASP A 44 71.764 -32.912 -4.543 1.00 14.32 H new ATOM 0 HB2 ASP A 44 69.329 -32.909 -3.773 1.00 60.41 H new ATOM 0 HB3 ASP A 44 69.089 -31.482 -4.761 1.00 60.41 H new ATOM 630 N ASP A 45 72.481 -31.506 -6.438 1.00 15.23 N ATOM 631 CA ASP A 45 72.979 -30.682 -7.534 1.00 12.44 C ATOM 632 C ASP A 45 72.664 -31.322 -8.881 1.00 2.01 C ATOM 633 O ASP A 45 72.528 -32.540 -9.001 1.00 41.12 O ATOM 634 CB ASP A 45 74.487 -30.471 -7.395 1.00 43.50 C ATOM 635 CG ASP A 45 75.248 -31.778 -7.292 1.00 2.12 C ATOM 636 OD1 ASP A 45 75.149 -32.598 -8.227 1.00 65.54 O ATOM 637 OD2 ASP A 45 75.943 -31.982 -6.274 1.00 0.03 O ATOM 0 H ASP A 45 72.873 -32.447 -6.406 1.00 15.23 H new ATOM 0 HA ASP A 45 72.478 -29.715 -7.487 1.00 12.44 H new ATOM 0 HB2 ASP A 45 74.853 -29.908 -8.254 1.00 43.50 H new ATOM 0 HB3 ASP A 45 74.686 -29.867 -6.510 1.00 43.50 H new ATOM 642 N PRO A 46 72.543 -30.484 -9.920 1.00 65.35 N ATOM 643 CA PRO A 46 72.241 -30.945 -11.280 1.00 1.32 C ATOM 644 C PRO A 46 73.404 -31.708 -11.904 1.00 41.34 C ATOM 645 O PRO A 46 73.201 -32.687 -12.621 1.00 4.15 O ATOM 646 CB PRO A 46 71.981 -29.645 -12.046 1.00 22.31 C ATOM 647 CG PRO A 46 72.738 -28.605 -11.296 1.00 0.03 C ATOM 648 CD PRO A 46 72.692 -29.021 -9.851 1.00 52.15 C ATOM 0 HA PRO A 46 71.402 -31.641 -11.298 1.00 1.32 H new ATOM 0 HB2 PRO A 46 72.325 -29.718 -13.078 1.00 22.31 H new ATOM 0 HB3 PRO A 46 70.917 -29.412 -12.081 1.00 22.31 H new ATOM 0 HG2 PRO A 46 73.767 -28.539 -11.651 1.00 0.03 H new ATOM 0 HG3 PRO A 46 72.290 -27.621 -11.433 1.00 0.03 H new ATOM 0 HD2 PRO A 46 73.601 -28.734 -9.322 1.00 52.15 H new ATOM 0 HD3 PRO A 46 71.857 -28.557 -9.326 1.00 52.15 H new ATOM 656 N GLU A 47 74.622 -31.253 -11.627 1.00 53.23 N ATOM 657 CA GLU A 47 75.817 -31.893 -12.163 1.00 72.30 C ATOM 658 C GLU A 47 76.972 -31.809 -11.168 1.00 44.53 C ATOM 659 O GLU A 47 77.760 -30.864 -11.196 1.00 22.51 O ATOM 660 CB GLU A 47 76.221 -31.242 -13.487 1.00 32.23 C ATOM 661 CG GLU A 47 77.248 -32.043 -14.271 1.00 14.51 C ATOM 662 CD GLU A 47 78.201 -31.161 -15.054 1.00 34.41 C ATOM 663 OE1 GLU A 47 77.852 -30.771 -16.187 1.00 44.21 O ATOM 664 OE2 GLU A 47 79.296 -30.861 -14.533 1.00 55.10 O ATOM 0 H GLU A 47 74.807 -30.444 -11.034 1.00 53.23 H new ATOM 0 HA GLU A 47 75.588 -32.944 -12.339 1.00 72.30 H new ATOM 0 HB2 GLU A 47 75.331 -31.107 -14.102 1.00 32.23 H new ATOM 0 HB3 GLU A 47 76.623 -30.249 -13.286 1.00 32.23 H new ATOM 0 HG2 GLU A 47 77.819 -32.667 -13.583 1.00 14.51 H new ATOM 0 HG3 GLU A 47 76.733 -32.714 -14.958 1.00 14.51 H new ATOM 671 N ASN A 48 77.064 -32.804 -10.293 1.00 13.34 N ATOM 672 CA ASN A 48 78.121 -32.842 -9.288 1.00 44.31 C ATOM 673 C ASN A 48 79.497 -32.738 -9.941 1.00 60.44 C ATOM 674 O ASN A 48 79.643 -32.969 -11.143 1.00 34.44 O ATOM 675 CB ASN A 48 78.029 -34.132 -8.470 1.00 12.34 C ATOM 676 CG ASN A 48 78.238 -35.371 -9.319 1.00 72.23 C ATOM 677 OD1 ASN A 48 77.551 -35.574 -10.320 1.00 32.41 O ATOM 678 ND2 ASN A 48 79.190 -36.207 -8.922 1.00 14.44 N ATOM 0 H ASN A 48 76.420 -33.595 -10.259 1.00 13.34 H new ATOM 0 HA ASN A 48 77.988 -31.988 -8.624 1.00 44.31 H new ATOM 0 HB2 ASN A 48 78.775 -34.109 -7.676 1.00 12.34 H new ATOM 0 HB3 ASN A 48 77.052 -34.185 -7.989 1.00 12.34 H new ATOM 0 HD21 ASN A 48 79.376 -37.058 -9.453 1.00 14.44 H new ATOM 0 HD22 ASN A 48 79.735 -35.999 -8.086 1.00 14.44 H new ATOM 685 N ILE A 49 80.500 -32.390 -9.143 1.00 63.03 N ATOM 686 CA ILE A 49 81.862 -32.257 -9.644 1.00 55.41 C ATOM 687 C ILE A 49 82.294 -33.508 -10.401 1.00 45.23 C ATOM 688 O ILE A 49 81.990 -34.629 -9.994 1.00 32.41 O ATOM 689 CB ILE A 49 82.858 -31.993 -8.500 1.00 2.31 C ATOM 690 CG1 ILE A 49 82.471 -30.724 -7.738 1.00 64.21 C ATOM 691 CG2 ILE A 49 84.274 -31.879 -9.046 1.00 31.40 C ATOM 692 CD1 ILE A 49 83.095 -30.629 -6.364 1.00 54.22 C ATOM 0 H ILE A 49 80.395 -32.195 -8.147 1.00 63.03 H new ATOM 0 HA ILE A 49 81.867 -31.405 -10.324 1.00 55.41 H new ATOM 0 HB ILE A 49 82.823 -32.834 -7.807 1.00 2.31 H new ATOM 0 HG12 ILE A 49 82.768 -29.854 -8.324 1.00 64.21 H new ATOM 0 HG13 ILE A 49 81.386 -30.686 -7.639 1.00 64.21 H new ATOM 0 HG21 ILE A 49 84.967 -31.692 -8.225 1.00 31.40 H new ATOM 0 HG22 ILE A 49 84.547 -32.808 -9.547 1.00 31.40 H new ATOM 0 HG23 ILE A 49 84.324 -31.055 -9.758 1.00 31.40 H new ATOM 0 HD11 ILE A 49 82.776 -29.704 -5.883 1.00 54.22 H new ATOM 0 HD12 ILE A 49 82.778 -31.480 -5.761 1.00 54.22 H new ATOM 0 HD13 ILE A 49 84.181 -30.634 -6.456 1.00 54.22 H new ATOM 704 N SER A 50 83.007 -33.308 -11.505 1.00 71.42 N ATOM 705 CA SER A 50 83.480 -34.420 -12.322 1.00 75.10 C ATOM 706 C SER A 50 84.994 -34.362 -12.494 1.00 15.42 C ATOM 707 O SER A 50 85.499 -34.238 -13.609 1.00 63.35 O ATOM 708 CB SER A 50 82.798 -34.401 -13.691 1.00 43.00 C ATOM 709 OG SER A 50 82.981 -33.152 -14.335 1.00 12.03 O ATOM 0 H SER A 50 83.270 -32.386 -11.854 1.00 71.42 H new ATOM 0 HA SER A 50 83.226 -35.348 -11.811 1.00 75.10 H new ATOM 0 HB2 SER A 50 83.204 -35.198 -14.314 1.00 43.00 H new ATOM 0 HB3 SER A 50 81.733 -34.600 -13.573 1.00 43.00 H new ATOM 0 HG SER A 50 83.939 -32.975 -14.439 1.00 12.03 H new ATOM 715 N TYR A 51 85.713 -34.452 -11.381 1.00 1.52 N ATOM 716 CA TYR A 51 87.171 -34.407 -11.407 1.00 42.10 C ATOM 717 C TYR A 51 87.759 -35.080 -10.170 1.00 62.23 C ATOM 718 O TYR A 51 87.029 -35.505 -9.275 1.00 70.33 O ATOM 719 CB TYR A 51 87.656 -32.959 -11.493 1.00 12.52 C ATOM 720 CG TYR A 51 87.611 -32.387 -12.892 1.00 34.43 C ATOM 721 CD1 TYR A 51 88.536 -32.775 -13.853 1.00 55.41 C ATOM 722 CD2 TYR A 51 86.641 -31.459 -13.253 1.00 34.13 C ATOM 723 CE1 TYR A 51 88.499 -32.254 -15.131 1.00 61.11 C ATOM 724 CE2 TYR A 51 86.596 -30.935 -14.530 1.00 74.43 C ATOM 725 CZ TYR A 51 87.526 -31.335 -15.466 1.00 15.41 C ATOM 726 OH TYR A 51 87.484 -30.815 -16.738 1.00 44.12 O ATOM 0 H TYR A 51 85.311 -34.557 -10.450 1.00 1.52 H new ATOM 0 HA TYR A 51 87.510 -34.950 -12.289 1.00 42.10 H new ATOM 0 HB2 TYR A 51 87.044 -32.340 -10.837 1.00 12.52 H new ATOM 0 HB3 TYR A 51 88.679 -32.905 -11.120 1.00 12.52 H new ATOM 0 HD1 TYR A 51 89.297 -33.497 -13.596 1.00 55.41 H new ATOM 0 HD2 TYR A 51 85.911 -31.143 -12.523 1.00 34.13 H new ATOM 0 HE1 TYR A 51 89.228 -32.564 -15.865 1.00 61.11 H new ATOM 0 HE2 TYR A 51 85.836 -30.215 -14.794 1.00 74.43 H new ATOM 0 HH TYR A 51 86.738 -30.183 -16.809 1.00 44.12 H new ATOM 736 N ALA A 52 89.084 -35.171 -10.128 1.00 71.31 N ATOM 737 CA ALA A 52 89.771 -35.789 -9.001 1.00 41.12 C ATOM 738 C ALA A 52 89.405 -35.101 -7.690 1.00 23.11 C ATOM 739 O ALA A 52 89.739 -33.937 -7.475 1.00 35.44 O ATOM 740 CB ALA A 52 91.277 -35.751 -9.216 1.00 24.54 C ATOM 0 H ALA A 52 89.703 -34.825 -10.861 1.00 71.31 H new ATOM 0 HA ALA A 52 89.450 -36.829 -8.938 1.00 41.12 H new ATOM 0 HB1 ALA A 52 91.778 -36.216 -8.367 1.00 24.54 H new ATOM 0 HB2 ALA A 52 91.528 -36.294 -10.127 1.00 24.54 H new ATOM 0 HB3 ALA A 52 91.605 -34.716 -9.308 1.00 24.54 H new ATOM 746 N GLY A 53 88.715 -35.830 -6.817 1.00 11.21 N ATOM 747 CA GLY A 53 88.314 -35.272 -5.539 1.00 2.43 C ATOM 748 C GLY A 53 89.433 -35.304 -4.516 1.00 74.31 C ATOM 749 O GLY A 53 90.586 -35.020 -4.840 1.00 62.43 O ATOM 0 H GLY A 53 88.427 -36.796 -6.972 1.00 11.21 H new ATOM 0 HA2 GLY A 53 87.986 -34.242 -5.682 1.00 2.43 H new ATOM 0 HA3 GLY A 53 87.459 -35.828 -5.155 1.00 2.43 H new ATOM 753 N GLN A 54 89.091 -35.647 -3.278 1.00 41.24 N ATOM 754 CA GLN A 54 90.076 -35.711 -2.205 1.00 3.04 C ATOM 755 C GLN A 54 90.688 -34.339 -1.944 1.00 73.21 C ATOM 756 O GLN A 54 91.812 -34.231 -1.456 1.00 3.12 O ATOM 757 CB GLN A 54 91.176 -36.715 -2.553 1.00 2.52 C ATOM 758 CG GLN A 54 90.648 -38.033 -3.097 1.00 74.04 C ATOM 759 CD GLN A 54 89.871 -38.822 -2.061 1.00 45.31 C ATOM 760 OE1 GLN A 54 90.431 -39.665 -1.360 1.00 72.42 O ATOM 761 NE2 GLN A 54 88.575 -38.552 -1.961 1.00 55.33 N ATOM 0 H GLN A 54 88.141 -35.884 -2.994 1.00 41.24 H new ATOM 0 HA GLN A 54 89.567 -36.039 -1.299 1.00 3.04 H new ATOM 0 HB2 GLN A 54 91.844 -36.269 -3.290 1.00 2.52 H new ATOM 0 HB3 GLN A 54 91.772 -36.912 -1.662 1.00 2.52 H new ATOM 0 HG2 GLN A 54 90.006 -37.836 -3.955 1.00 74.04 H new ATOM 0 HG3 GLN A 54 91.483 -38.635 -3.455 1.00 74.04 H new ATOM 0 HE21 GLN A 54 88.153 -37.845 -2.563 1.00 55.33 H new ATOM 0 HE22 GLN A 54 88.001 -39.052 -1.282 1.00 55.33 H new ATOM 770 N GLY A 55 89.939 -33.290 -2.274 1.00 24.22 N ATOM 771 CA GLY A 55 90.425 -31.938 -2.069 1.00 25.22 C ATOM 772 C GLY A 55 90.310 -31.085 -3.316 1.00 45.04 C ATOM 773 O GLY A 55 91.289 -30.484 -3.758 1.00 41.25 O ATOM 0 H GLY A 55 89.005 -33.353 -2.679 1.00 24.22 H new ATOM 0 HA2 GLY A 55 89.862 -31.472 -1.260 1.00 25.22 H new ATOM 0 HA3 GLY A 55 91.467 -31.974 -1.752 1.00 25.22 H new ATOM 777 N VAL A 56 89.111 -31.034 -3.888 1.00 2.51 N ATOM 778 CA VAL A 56 88.872 -30.249 -5.094 1.00 14.03 C ATOM 779 C VAL A 56 87.886 -29.116 -4.825 1.00 1.33 C ATOM 780 O VAL A 56 87.025 -29.223 -3.952 1.00 40.21 O ATOM 781 CB VAL A 56 88.329 -31.126 -6.237 1.00 20.15 C ATOM 782 CG1 VAL A 56 86.936 -31.639 -5.901 1.00 41.41 C ATOM 783 CG2 VAL A 56 88.320 -30.351 -7.546 1.00 31.13 C ATOM 0 H VAL A 56 88.290 -31.527 -3.536 1.00 2.51 H new ATOM 0 HA VAL A 56 89.832 -29.829 -5.394 1.00 14.03 H new ATOM 0 HB VAL A 56 88.988 -31.986 -6.356 1.00 20.15 H new ATOM 0 HG11 VAL A 56 86.568 -32.257 -6.720 1.00 41.41 H new ATOM 0 HG12 VAL A 56 86.978 -32.234 -4.988 1.00 41.41 H new ATOM 0 HG13 VAL A 56 86.263 -30.794 -5.753 1.00 41.41 H new ATOM 0 HG21 VAL A 56 87.933 -30.987 -8.343 1.00 31.13 H new ATOM 0 HG22 VAL A 56 87.685 -29.471 -7.443 1.00 31.13 H new ATOM 0 HG23 VAL A 56 89.335 -30.039 -7.791 1.00 31.13 H new ATOM 793 N ARG A 57 88.019 -28.032 -5.582 1.00 2.02 N ATOM 794 CA ARG A 57 87.141 -26.880 -5.426 1.00 73.24 C ATOM 795 C ARG A 57 85.765 -27.159 -6.024 1.00 12.54 C ATOM 796 O ARG A 57 85.496 -28.261 -6.501 1.00 42.21 O ATOM 797 CB ARG A 57 87.757 -25.648 -6.092 1.00 15.50 C ATOM 798 CG ARG A 57 89.229 -25.452 -5.766 1.00 43.23 C ATOM 799 CD ARG A 57 89.746 -24.124 -6.297 1.00 63.05 C ATOM 800 NE ARG A 57 88.934 -22.999 -5.839 1.00 13.33 N ATOM 801 CZ ARG A 57 89.100 -21.751 -6.265 1.00 22.34 C ATOM 802 NH1 ARG A 57 90.042 -21.471 -7.155 1.00 23.11 N ATOM 803 NH2 ARG A 57 88.322 -20.782 -5.801 1.00 5.43 N ATOM 0 H ARG A 57 88.727 -27.928 -6.309 1.00 2.02 H new ATOM 0 HA ARG A 57 87.023 -26.688 -4.360 1.00 73.24 H new ATOM 0 HB2 ARG A 57 87.641 -25.733 -7.172 1.00 15.50 H new ATOM 0 HB3 ARG A 57 87.203 -24.762 -5.781 1.00 15.50 H new ATOM 0 HG2 ARG A 57 89.372 -25.494 -4.686 1.00 43.23 H new ATOM 0 HG3 ARG A 57 89.810 -26.268 -6.196 1.00 43.23 H new ATOM 0 HD2 ARG A 57 90.778 -23.982 -5.975 1.00 63.05 H new ATOM 0 HD3 ARG A 57 89.752 -24.147 -7.387 1.00 63.05 H new ATOM 0 HE ARG A 57 88.200 -23.181 -5.155 1.00 13.33 H new ATOM 0 HH11 ARG A 57 90.641 -22.214 -7.514 1.00 23.11 H new ATOM 0 HH12 ARG A 57 90.167 -20.512 -7.480 1.00 23.11 H new ATOM 0 HH21 ARG A 57 87.596 -20.994 -5.117 1.00 5.43 H new ATOM 0 HH22 ARG A 57 88.450 -19.824 -6.128 1.00 5.43 H new ATOM 817 N VAL A 58 84.897 -26.153 -5.993 1.00 41.51 N ATOM 818 CA VAL A 58 83.549 -26.290 -6.533 1.00 54.41 C ATOM 819 C VAL A 58 83.148 -25.053 -7.330 1.00 62.02 C ATOM 820 O VAL A 58 83.503 -23.931 -6.973 1.00 61.21 O ATOM 821 CB VAL A 58 82.518 -26.521 -5.412 1.00 73.23 C ATOM 822 CG1 VAL A 58 81.122 -26.678 -5.995 1.00 62.31 C ATOM 823 CG2 VAL A 58 82.897 -27.738 -4.582 1.00 12.53 C ATOM 0 H VAL A 58 85.103 -25.235 -5.600 1.00 41.51 H new ATOM 0 HA VAL A 58 83.558 -27.157 -7.194 1.00 54.41 H new ATOM 0 HB VAL A 58 82.517 -25.649 -4.758 1.00 73.23 H new ATOM 0 HG11 VAL A 58 80.407 -26.840 -5.188 1.00 62.31 H new ATOM 0 HG12 VAL A 58 80.853 -25.775 -6.542 1.00 62.31 H new ATOM 0 HG13 VAL A 58 81.105 -27.532 -6.673 1.00 62.31 H new ATOM 0 HG21 VAL A 58 82.158 -27.886 -3.795 1.00 12.53 H new ATOM 0 HG22 VAL A 58 82.927 -28.620 -5.222 1.00 12.53 H new ATOM 0 HG23 VAL A 58 83.878 -27.581 -4.134 1.00 12.53 H new ATOM 833 N GLU A 59 82.406 -25.269 -8.412 1.00 35.13 N ATOM 834 CA GLU A 59 81.957 -24.172 -9.260 1.00 52.41 C ATOM 835 C GLU A 59 80.817 -23.402 -8.598 1.00 4.32 C ATOM 836 O GLU A 59 80.500 -23.625 -7.431 1.00 13.55 O ATOM 837 CB GLU A 59 81.505 -24.702 -10.622 1.00 24.31 C ATOM 838 CG GLU A 59 82.478 -25.690 -11.244 1.00 31.54 C ATOM 839 CD GLU A 59 82.457 -25.654 -12.759 1.00 61.35 C ATOM 840 OE1 GLU A 59 81.399 -25.316 -13.330 1.00 70.51 O ATOM 841 OE2 GLU A 59 83.498 -25.963 -13.375 1.00 5.42 O ATOM 0 H GLU A 59 82.104 -26.193 -8.721 1.00 35.13 H new ATOM 0 HA GLU A 59 82.797 -23.492 -9.403 1.00 52.41 H new ATOM 0 HB2 GLU A 59 80.533 -25.183 -10.511 1.00 24.31 H new ATOM 0 HB3 GLU A 59 81.369 -23.862 -11.303 1.00 24.31 H new ATOM 0 HG2 GLU A 59 83.486 -25.471 -10.893 1.00 31.54 H new ATOM 0 HG3 GLU A 59 82.234 -26.697 -10.905 1.00 31.54 H new ATOM 848 N GLY A 60 80.205 -22.496 -9.353 1.00 43.13 N ATOM 849 CA GLY A 60 79.109 -21.707 -8.823 1.00 61.40 C ATOM 850 C GLY A 60 77.759 -22.350 -9.071 1.00 34.34 C ATOM 851 O GLY A 60 77.211 -22.258 -10.169 1.00 23.02 O ATOM 0 H GLY A 60 80.449 -22.294 -10.323 1.00 43.13 H new ATOM 0 HA2 GLY A 60 79.250 -21.568 -7.751 1.00 61.40 H new ATOM 0 HA3 GLY A 60 79.125 -20.716 -9.278 1.00 61.40 H new ATOM 855 N SER A 61 77.221 -23.008 -8.048 1.00 14.31 N ATOM 856 CA SER A 61 75.930 -23.675 -8.161 1.00 53.12 C ATOM 857 C SER A 61 75.211 -23.699 -6.815 1.00 73.11 C ATOM 858 O SER A 61 75.845 -23.673 -5.760 1.00 33.21 O ATOM 859 CB SER A 61 76.113 -25.101 -8.679 1.00 22.24 C ATOM 860 OG SER A 61 77.269 -25.205 -9.492 1.00 13.33 O ATOM 0 H SER A 61 77.660 -23.093 -7.131 1.00 14.31 H new ATOM 0 HA SER A 61 75.320 -23.114 -8.869 1.00 53.12 H new ATOM 0 HB2 SER A 61 76.194 -25.789 -7.838 1.00 22.24 H new ATOM 0 HB3 SER A 61 75.234 -25.399 -9.251 1.00 22.24 H new ATOM 0 HG SER A 61 77.364 -26.127 -9.809 1.00 13.33 H new ATOM 866 N SER A 62 73.883 -23.746 -6.861 1.00 2.15 N ATOM 867 CA SER A 62 73.077 -23.770 -5.647 1.00 34.30 C ATOM 868 C SER A 62 72.220 -25.031 -5.588 1.00 71.12 C ATOM 869 O SER A 62 71.144 -25.110 -6.181 1.00 41.03 O ATOM 870 CB SER A 62 72.184 -22.530 -5.578 1.00 33.01 C ATOM 871 OG SER A 62 71.886 -22.043 -6.875 1.00 23.45 O ATOM 0 H SER A 62 73.343 -23.768 -7.726 1.00 2.15 H new ATOM 0 HA SER A 62 73.753 -23.771 -4.792 1.00 34.30 H new ATOM 0 HB2 SER A 62 71.259 -22.773 -5.056 1.00 33.01 H new ATOM 0 HB3 SER A 62 72.681 -21.752 -4.999 1.00 33.01 H new ATOM 0 HG SER A 62 71.313 -21.251 -6.803 1.00 23.45 H new ATOM 877 N PRO A 63 72.707 -26.043 -4.855 1.00 62.40 N ATOM 878 CA PRO A 63 72.003 -27.320 -4.700 1.00 54.23 C ATOM 879 C PRO A 63 70.741 -27.186 -3.855 1.00 20.54 C ATOM 880 O PRO A 63 70.492 -26.141 -3.255 1.00 14.34 O ATOM 881 CB PRO A 63 73.029 -28.208 -3.992 1.00 52.22 C ATOM 882 CG PRO A 63 73.917 -27.256 -3.268 1.00 13.34 C ATOM 883 CD PRO A 63 73.984 -26.020 -4.121 1.00 75.42 C ATOM 0 HA PRO A 63 71.664 -27.717 -5.657 1.00 54.23 H new ATOM 0 HB2 PRO A 63 72.545 -28.900 -3.303 1.00 52.22 H new ATOM 0 HB3 PRO A 63 73.592 -28.810 -4.706 1.00 52.22 H new ATOM 0 HG2 PRO A 63 73.519 -27.027 -2.279 1.00 13.34 H new ATOM 0 HG3 PRO A 63 74.909 -27.683 -3.121 1.00 13.34 H new ATOM 0 HD2 PRO A 63 74.084 -25.119 -3.516 1.00 75.42 H new ATOM 0 HD3 PRO A 63 74.838 -26.045 -4.798 1.00 75.42 H new ATOM 891 N SER A 64 69.946 -28.252 -3.813 1.00 50.41 N ATOM 892 CA SER A 64 68.708 -28.251 -3.043 1.00 22.51 C ATOM 893 C SER A 64 68.860 -29.077 -1.769 1.00 60.12 C ATOM 894 O SER A 64 69.585 -30.072 -1.743 1.00 4.22 O ATOM 895 CB SER A 64 67.558 -28.803 -3.888 1.00 62.40 C ATOM 896 OG SER A 64 66.303 -28.494 -3.306 1.00 63.24 O ATOM 0 H SER A 64 70.138 -29.126 -4.303 1.00 50.41 H new ATOM 0 HA SER A 64 68.483 -27.222 -2.763 1.00 22.51 H new ATOM 0 HB2 SER A 64 67.609 -28.386 -4.894 1.00 62.40 H new ATOM 0 HB3 SER A 64 67.661 -29.884 -3.986 1.00 62.40 H new ATOM 0 HG SER A 64 65.587 -28.712 -3.938 1.00 63.24 H new ATOM 902 N LEU A 65 68.170 -28.658 -0.714 1.00 62.04 N ATOM 903 CA LEU A 65 68.227 -29.357 0.564 1.00 34.23 C ATOM 904 C LEU A 65 66.878 -29.984 0.903 1.00 54.13 C ATOM 905 O LEU A 65 65.873 -29.284 1.035 1.00 51.21 O ATOM 906 CB LEU A 65 68.649 -28.395 1.676 1.00 75.02 C ATOM 907 CG LEU A 65 67.998 -28.620 3.042 1.00 3.30 C ATOM 908 CD1 LEU A 65 68.384 -29.983 3.598 1.00 52.15 C ATOM 909 CD2 LEU A 65 68.395 -27.515 4.010 1.00 34.32 C ATOM 0 H LEU A 65 67.564 -27.837 -0.719 1.00 62.04 H new ATOM 0 HA LEU A 65 68.966 -30.154 0.481 1.00 34.23 H new ATOM 0 HB2 LEU A 65 69.730 -28.462 1.796 1.00 75.02 H new ATOM 0 HB3 LEU A 65 68.426 -27.378 1.353 1.00 75.02 H new ATOM 0 HG LEU A 65 66.916 -28.594 2.917 1.00 3.30 H new ATOM 0 HD11 LEU A 65 67.912 -30.126 4.570 1.00 52.15 H new ATOM 0 HD12 LEU A 65 68.050 -30.763 2.914 1.00 52.15 H new ATOM 0 HD13 LEU A 65 69.467 -30.037 3.709 1.00 52.15 H new ATOM 0 HD21 LEU A 65 67.923 -27.691 4.977 1.00 34.32 H new ATOM 0 HD22 LEU A 65 69.478 -27.509 4.131 1.00 34.32 H new ATOM 0 HD23 LEU A 65 68.069 -26.552 3.617 1.00 34.32 H new ATOM 921 N PHE A 66 66.863 -31.305 1.044 1.00 70.05 N ATOM 922 CA PHE A 66 65.638 -32.025 1.368 1.00 73.20 C ATOM 923 C PHE A 66 65.521 -32.248 2.874 1.00 72.55 C ATOM 924 O PHE A 66 66.285 -33.014 3.461 1.00 71.45 O ATOM 925 CB PHE A 66 65.603 -33.369 0.638 1.00 71.32 C ATOM 926 CG PHE A 66 64.213 -33.864 0.360 1.00 70.41 C ATOM 927 CD1 PHE A 66 63.552 -33.499 -0.802 1.00 32.14 C ATOM 928 CD2 PHE A 66 63.566 -34.696 1.261 1.00 53.12 C ATOM 929 CE1 PHE A 66 62.272 -33.953 -1.061 1.00 0.41 C ATOM 930 CE2 PHE A 66 62.287 -35.153 1.007 1.00 31.43 C ATOM 931 CZ PHE A 66 61.639 -34.781 -0.155 1.00 32.11 C ATOM 0 H PHE A 66 67.686 -31.899 0.939 1.00 70.05 H new ATOM 0 HA PHE A 66 64.793 -31.420 1.041 1.00 73.20 H new ATOM 0 HB2 PHE A 66 66.142 -33.275 -0.305 1.00 71.32 H new ATOM 0 HB3 PHE A 66 66.132 -34.112 1.235 1.00 71.32 H new ATOM 0 HD1 PHE A 66 64.043 -32.852 -1.514 1.00 32.14 H new ATOM 0 HD2 PHE A 66 64.067 -34.990 2.171 1.00 53.12 H new ATOM 0 HE1 PHE A 66 61.768 -33.661 -1.970 1.00 0.41 H new ATOM 0 HE2 PHE A 66 61.794 -35.801 1.717 1.00 31.43 H new ATOM 0 HZ PHE A 66 60.639 -35.137 -0.355 1.00 32.11 H new ATOM 941 N VAL A 67 64.558 -31.572 3.492 1.00 53.24 N ATOM 942 CA VAL A 67 64.338 -31.695 4.929 1.00 4.54 C ATOM 943 C VAL A 67 62.851 -31.691 5.261 1.00 65.05 C ATOM 944 O VAL A 67 62.014 -31.418 4.400 1.00 62.44 O ATOM 945 CB VAL A 67 65.030 -30.556 5.702 1.00 72.32 C ATOM 946 CG1 VAL A 67 66.489 -30.894 5.959 1.00 3.51 C ATOM 947 CG2 VAL A 67 64.903 -29.244 4.942 1.00 33.41 C ATOM 0 H VAL A 67 63.917 -30.933 3.021 1.00 53.24 H new ATOM 0 HA VAL A 67 64.771 -32.647 5.235 1.00 4.54 H new ATOM 0 HB VAL A 67 64.535 -30.441 6.666 1.00 72.32 H new ATOM 0 HG11 VAL A 67 66.961 -30.078 6.506 1.00 3.51 H new ATOM 0 HG12 VAL A 67 66.552 -31.809 6.547 1.00 3.51 H new ATOM 0 HG13 VAL A 67 67.002 -31.038 5.008 1.00 3.51 H new ATOM 0 HG21 VAL A 67 65.397 -28.450 5.502 1.00 33.41 H new ATOM 0 HG22 VAL A 67 65.372 -29.344 3.963 1.00 33.41 H new ATOM 0 HG23 VAL A 67 63.849 -28.997 4.816 1.00 33.41 H new ATOM 957 N ARG A 68 62.528 -31.993 6.514 1.00 44.41 N ATOM 958 CA ARG A 68 61.141 -32.024 6.959 1.00 30.41 C ATOM 959 C ARG A 68 60.783 -30.749 7.717 1.00 3.42 C ATOM 960 O ARG A 68 61.608 -30.196 8.446 1.00 60.30 O ATOM 961 CB ARG A 68 60.896 -33.245 7.849 1.00 51.44 C ATOM 962 CG ARG A 68 59.795 -33.039 8.876 1.00 55.54 C ATOM 963 CD ARG A 68 59.239 -34.365 9.371 1.00 51.21 C ATOM 964 NE ARG A 68 58.629 -35.138 8.293 1.00 21.33 N ATOM 965 CZ ARG A 68 57.758 -36.120 8.496 1.00 23.33 C ATOM 966 NH1 ARG A 68 57.395 -36.446 9.730 1.00 44.03 N ATOM 967 NH2 ARG A 68 57.246 -36.779 7.463 1.00 15.24 N ATOM 0 H ARG A 68 63.209 -32.220 7.239 1.00 44.41 H new ATOM 0 HA ARG A 68 60.505 -32.092 6.077 1.00 30.41 H new ATOM 0 HB2 ARG A 68 60.639 -34.097 7.220 1.00 51.44 H new ATOM 0 HB3 ARG A 68 61.821 -33.498 8.367 1.00 51.44 H new ATOM 0 HG2 ARG A 68 60.185 -32.469 9.719 1.00 55.54 H new ATOM 0 HG3 ARG A 68 58.992 -32.448 8.436 1.00 55.54 H new ATOM 0 HD2 ARG A 68 60.040 -34.947 9.826 1.00 51.21 H new ATOM 0 HD3 ARG A 68 58.498 -34.180 10.149 1.00 51.21 H new ATOM 0 HE ARG A 68 58.886 -34.912 7.332 1.00 21.33 H new ATOM 0 HH11 ARG A 68 57.785 -35.942 10.526 1.00 44.03 H new ATOM 0 HH12 ARG A 68 56.726 -37.201 9.882 1.00 44.03 H new ATOM 0 HH21 ARG A 68 57.522 -36.531 6.513 1.00 15.24 H new ATOM 0 HH22 ARG A 68 56.577 -37.533 7.620 1.00 15.24 H new ATOM 981 N THR A 69 59.550 -30.286 7.538 1.00 15.24 N ATOM 982 CA THR A 69 59.085 -29.076 8.203 1.00 21.13 C ATOM 983 C THR A 69 59.531 -29.042 9.660 1.00 1.14 C ATOM 984 O THR A 69 59.999 -28.015 10.153 1.00 65.43 O ATOM 985 CB THR A 69 57.550 -28.958 8.146 1.00 1.11 C ATOM 986 OG1 THR A 69 57.117 -27.821 8.901 1.00 30.33 O ATOM 987 CG2 THR A 69 56.890 -30.216 8.691 1.00 32.02 C ATOM 0 H THR A 69 58.856 -30.731 6.938 1.00 15.24 H new ATOM 0 HA THR A 69 59.528 -28.234 7.671 1.00 21.13 H new ATOM 0 HB THR A 69 57.256 -28.834 7.104 1.00 1.11 H new ATOM 0 HG1 THR A 69 56.140 -27.753 8.858 1.00 30.33 H new ATOM 0 HG21 THR A 69 55.806 -30.109 8.641 1.00 32.02 H new ATOM 0 HG22 THR A 69 57.198 -31.076 8.096 1.00 32.02 H new ATOM 0 HG23 THR A 69 57.192 -30.365 9.728 1.00 32.02 H new ATOM 995 N ASP A 70 59.386 -30.171 10.345 1.00 71.51 N ATOM 996 CA ASP A 70 59.777 -30.271 11.746 1.00 52.43 C ATOM 997 C ASP A 70 61.287 -30.118 11.902 1.00 65.31 C ATOM 998 O ASP A 70 61.759 -29.383 12.768 1.00 45.35 O ATOM 999 CB ASP A 70 59.324 -31.610 12.330 1.00 22.24 C ATOM 1000 CG ASP A 70 59.271 -31.593 13.845 1.00 5.34 C ATOM 1001 OD1 ASP A 70 58.963 -30.527 14.415 1.00 12.24 O ATOM 1002 OD2 ASP A 70 59.540 -32.647 14.460 1.00 42.32 O ATOM 0 H ASP A 70 59.000 -31.030 9.953 1.00 71.51 H new ATOM 0 HA ASP A 70 59.290 -29.463 12.292 1.00 52.43 H new ATOM 0 HB2 ASP A 70 58.338 -31.859 11.938 1.00 22.24 H new ATOM 0 HB3 ASP A 70 60.005 -32.395 12.002 1.00 22.24 H new ATOM 1007 N GLU A 71 62.037 -30.821 11.058 1.00 70.15 N ATOM 1008 CA GLU A 71 63.493 -30.764 11.104 1.00 51.21 C ATOM 1009 C GLU A 71 63.985 -29.322 11.019 1.00 44.15 C ATOM 1010 O GLU A 71 64.936 -28.936 11.699 1.00 25.13 O ATOM 1011 CB GLU A 71 64.094 -31.588 9.963 1.00 72.42 C ATOM 1012 CG GLU A 71 64.019 -33.088 10.190 1.00 72.14 C ATOM 1013 CD GLU A 71 64.645 -33.511 11.505 1.00 13.40 C ATOM 1014 OE1 GLU A 71 65.689 -32.937 11.877 1.00 41.30 O ATOM 1015 OE2 GLU A 71 64.089 -34.415 12.163 1.00 23.50 O ATOM 0 H GLU A 71 61.661 -31.435 10.336 1.00 70.15 H new ATOM 0 HA GLU A 71 63.817 -31.184 12.056 1.00 51.21 H new ATOM 0 HB2 GLU A 71 63.575 -31.343 9.037 1.00 72.42 H new ATOM 0 HB3 GLU A 71 65.137 -31.301 9.829 1.00 72.42 H new ATOM 0 HG2 GLU A 71 62.976 -33.403 10.171 1.00 72.14 H new ATOM 0 HG3 GLU A 71 64.522 -33.601 9.371 1.00 72.14 H new ATOM 1022 N VAL A 72 63.330 -28.529 10.176 1.00 2.22 N ATOM 1023 CA VAL A 72 63.699 -27.129 10.001 1.00 42.21 C ATOM 1024 C VAL A 72 63.003 -26.244 11.029 1.00 11.12 C ATOM 1025 O VAL A 72 63.492 -25.167 11.369 1.00 72.12 O ATOM 1026 CB VAL A 72 63.347 -26.629 8.587 1.00 12.33 C ATOM 1027 CG1 VAL A 72 64.224 -27.309 7.547 1.00 51.14 C ATOM 1028 CG2 VAL A 72 61.874 -26.864 8.291 1.00 52.43 C ATOM 0 H VAL A 72 62.542 -28.832 9.604 1.00 2.22 H new ATOM 0 HA VAL A 72 64.778 -27.066 10.143 1.00 42.21 H new ATOM 0 HB VAL A 72 63.536 -25.557 8.541 1.00 12.33 H new ATOM 0 HG11 VAL A 72 63.961 -26.944 6.554 1.00 51.14 H new ATOM 0 HG12 VAL A 72 65.271 -27.084 7.751 1.00 51.14 H new ATOM 0 HG13 VAL A 72 64.069 -28.387 7.589 1.00 51.14 H new ATOM 0 HG21 VAL A 72 61.643 -26.505 7.288 1.00 52.43 H new ATOM 0 HG22 VAL A 72 61.656 -27.930 8.354 1.00 52.43 H new ATOM 0 HG23 VAL A 72 61.266 -26.326 9.018 1.00 52.43 H new ATOM 1038 N ARG A 73 61.858 -26.707 11.521 1.00 12.40 N ATOM 1039 CA ARG A 73 61.094 -25.957 12.511 1.00 44.34 C ATOM 1040 C ARG A 73 61.918 -25.727 13.774 1.00 4.11 C ATOM 1041 O ARG A 73 61.889 -24.642 14.356 1.00 24.20 O ATOM 1042 CB ARG A 73 59.803 -26.700 12.859 1.00 0.14 C ATOM 1043 CG ARG A 73 59.004 -26.043 13.973 1.00 21.52 C ATOM 1044 CD ARG A 73 59.300 -26.680 15.322 1.00 22.25 C ATOM 1045 NE ARG A 73 58.148 -26.628 16.218 1.00 41.15 N ATOM 1046 CZ ARG A 73 58.070 -27.307 17.356 1.00 64.21 C ATOM 1047 NH1 ARG A 73 59.073 -28.086 17.736 1.00 32.13 N ATOM 1048 NH2 ARG A 73 56.988 -27.207 18.117 1.00 1.31 N ATOM 0 H ARG A 73 61.440 -27.597 11.250 1.00 12.40 H new ATOM 0 HA ARG A 73 60.843 -24.987 12.081 1.00 44.34 H new ATOM 0 HB2 ARG A 73 59.180 -26.766 11.967 1.00 0.14 H new ATOM 0 HB3 ARG A 73 60.049 -27.720 13.153 1.00 0.14 H new ATOM 0 HG2 ARG A 73 59.239 -24.979 14.012 1.00 21.52 H new ATOM 0 HG3 ARG A 73 57.939 -26.126 13.756 1.00 21.52 H new ATOM 0 HD2 ARG A 73 59.598 -27.718 15.175 1.00 22.25 H new ATOM 0 HD3 ARG A 73 60.143 -26.169 15.786 1.00 22.25 H new ATOM 0 HE ARG A 73 57.359 -26.037 15.955 1.00 41.15 H new ATOM 0 HH11 ARG A 73 59.907 -28.164 17.154 1.00 32.13 H new ATOM 0 HH12 ARG A 73 59.011 -28.607 18.611 1.00 32.13 H new ATOM 0 HH21 ARG A 73 56.215 -26.608 17.828 1.00 1.31 H new ATOM 0 HH22 ARG A 73 56.929 -27.729 18.991 1.00 1.31 H new ATOM 1062 N GLN A 74 62.650 -26.754 14.191 1.00 12.54 N ATOM 1063 CA GLN A 74 63.482 -26.663 15.387 1.00 64.51 C ATOM 1064 C GLN A 74 64.558 -25.596 15.221 1.00 21.45 C ATOM 1065 O GLN A 74 65.162 -25.151 16.198 1.00 34.31 O ATOM 1066 CB GLN A 74 64.130 -28.016 15.687 1.00 73.35 C ATOM 1067 CG GLN A 74 63.133 -29.093 16.083 1.00 64.33 C ATOM 1068 CD GLN A 74 63.621 -30.490 15.753 1.00 14.34 C ATOM 1069 OE1 GLN A 74 64.721 -30.884 16.144 1.00 13.23 O ATOM 1070 NE2 GLN A 74 62.805 -31.249 15.032 1.00 2.02 N ATOM 0 H GLN A 74 62.685 -27.658 13.720 1.00 12.54 H new ATOM 0 HA GLN A 74 62.843 -26.381 16.224 1.00 64.51 H new ATOM 0 HB2 GLN A 74 64.681 -28.349 14.807 1.00 73.35 H new ATOM 0 HB3 GLN A 74 64.856 -27.892 16.490 1.00 73.35 H new ATOM 0 HG2 GLN A 74 62.936 -29.024 17.153 1.00 64.33 H new ATOM 0 HG3 GLN A 74 62.187 -28.913 15.572 1.00 64.33 H new ATOM 0 HE21 GLN A 74 61.903 -30.883 14.729 1.00 2.02 H new ATOM 0 HE22 GLN A 74 63.080 -32.199 14.781 1.00 2.02 H new ATOM 1079 N LEU A 75 64.795 -25.189 13.979 1.00 23.31 N ATOM 1080 CA LEU A 75 65.801 -24.174 13.685 1.00 52.23 C ATOM 1081 C LEU A 75 65.143 -22.863 13.264 1.00 2.34 C ATOM 1082 O LEU A 75 63.919 -22.737 13.284 1.00 73.13 O ATOM 1083 CB LEU A 75 66.741 -24.663 12.582 1.00 72.22 C ATOM 1084 CG LEU A 75 67.652 -25.835 12.948 1.00 44.40 C ATOM 1085 CD1 LEU A 75 66.993 -27.157 12.587 1.00 32.42 C ATOM 1086 CD2 LEU A 75 68.999 -25.701 12.252 1.00 64.32 C ATOM 0 H LEU A 75 64.304 -25.546 13.159 1.00 23.31 H new ATOM 0 HA LEU A 75 66.378 -23.996 14.592 1.00 52.23 H new ATOM 0 HB2 LEU A 75 66.139 -24.952 11.721 1.00 72.22 H new ATOM 0 HB3 LEU A 75 67.366 -23.827 12.268 1.00 72.22 H new ATOM 0 HG LEU A 75 67.818 -25.818 14.025 1.00 44.40 H new ATOM 0 HD11 LEU A 75 67.656 -27.979 12.855 1.00 32.42 H new ATOM 0 HD12 LEU A 75 66.054 -27.256 13.132 1.00 32.42 H new ATOM 0 HD13 LEU A 75 66.796 -27.184 11.515 1.00 32.42 H new ATOM 0 HD21 LEU A 75 69.635 -26.544 12.524 1.00 64.32 H new ATOM 0 HD22 LEU A 75 68.851 -25.692 11.172 1.00 64.32 H new ATOM 0 HD23 LEU A 75 69.477 -24.771 12.561 1.00 64.32 H new ATOM 1098 N ARG A 76 65.965 -21.892 12.882 1.00 41.14 N ATOM 1099 CA ARG A 76 65.464 -20.591 12.455 1.00 52.10 C ATOM 1100 C ARG A 76 65.789 -20.337 10.986 1.00 22.00 C ATOM 1101 O ARG A 76 66.297 -21.218 10.292 1.00 13.13 O ATOM 1102 CB ARG A 76 66.064 -19.481 13.320 1.00 52.41 C ATOM 1103 CG ARG A 76 67.536 -19.222 13.045 1.00 71.20 C ATOM 1104 CD ARG A 76 68.031 -17.983 13.776 1.00 63.14 C ATOM 1105 NE ARG A 76 68.459 -18.286 15.138 1.00 41.14 N ATOM 1106 CZ ARG A 76 69.583 -18.929 15.429 1.00 14.44 C ATOM 1107 NH1 ARG A 76 70.389 -19.336 14.458 1.00 14.42 N ATOM 1108 NH2 ARG A 76 69.904 -19.166 16.695 1.00 5.22 N ATOM 0 H ARG A 76 66.981 -21.981 12.859 1.00 41.14 H new ATOM 0 HA ARG A 76 64.381 -20.591 12.574 1.00 52.10 H new ATOM 0 HB2 ARG A 76 65.505 -18.560 13.154 1.00 52.41 H new ATOM 0 HB3 ARG A 76 65.940 -19.744 14.371 1.00 52.41 H new ATOM 0 HG2 ARG A 76 68.123 -20.087 13.355 1.00 71.20 H new ATOM 0 HG3 ARG A 76 67.691 -19.099 11.973 1.00 71.20 H new ATOM 0 HD2 ARG A 76 68.862 -17.544 13.224 1.00 63.14 H new ATOM 0 HD3 ARG A 76 67.237 -17.237 13.803 1.00 63.14 H new ATOM 0 HE ARG A 76 67.861 -17.987 15.909 1.00 41.14 H new ATOM 0 HH11 ARG A 76 70.146 -19.155 13.484 1.00 14.42 H new ATOM 0 HH12 ARG A 76 71.252 -19.830 14.685 1.00 14.42 H new ATOM 0 HH21 ARG A 76 69.287 -18.854 17.445 1.00 5.22 H new ATOM 0 HH22 ARG A 76 70.768 -19.660 16.918 1.00 5.22 H new ATOM 1122 N ARG A 77 65.493 -19.129 10.519 1.00 12.45 N ATOM 1123 CA ARG A 77 65.753 -18.761 9.133 1.00 54.13 C ATOM 1124 C ARG A 77 67.221 -18.397 8.933 1.00 52.23 C ATOM 1125 O ARG A 77 67.786 -17.614 9.696 1.00 64.00 O ATOM 1126 CB ARG A 77 64.863 -17.586 8.720 1.00 44.10 C ATOM 1127 CG ARG A 77 65.178 -16.295 9.458 1.00 15.13 C ATOM 1128 CD ARG A 77 63.910 -15.556 9.854 1.00 32.44 C ATOM 1129 NE ARG A 77 63.199 -16.231 10.938 1.00 12.21 N ATOM 1130 CZ ARG A 77 62.094 -15.756 11.500 1.00 54.45 C ATOM 1131 NH1 ARG A 77 61.575 -14.609 11.083 1.00 34.33 N ATOM 1132 NH2 ARG A 77 61.505 -16.426 12.482 1.00 2.34 N ATOM 0 H ARG A 77 65.073 -18.388 11.080 1.00 12.45 H new ATOM 0 HA ARG A 77 65.522 -19.621 8.505 1.00 54.13 H new ATOM 0 HB2 ARG A 77 64.972 -17.418 7.649 1.00 44.10 H new ATOM 0 HB3 ARG A 77 63.821 -17.851 8.897 1.00 44.10 H new ATOM 0 HG2 ARG A 77 65.764 -16.518 10.350 1.00 15.13 H new ATOM 0 HG3 ARG A 77 65.792 -15.654 8.826 1.00 15.13 H new ATOM 0 HD2 ARG A 77 64.163 -14.542 10.163 1.00 32.44 H new ATOM 0 HD3 ARG A 77 63.254 -15.471 8.988 1.00 32.44 H new ATOM 0 HE ARG A 77 63.572 -17.116 11.282 1.00 12.21 H new ATOM 0 HH11 ARG A 77 62.025 -14.090 10.329 1.00 34.33 H new ATOM 0 HH12 ARG A 77 60.726 -14.246 11.516 1.00 34.33 H new ATOM 0 HH21 ARG A 77 61.901 -17.308 12.807 1.00 2.34 H new ATOM 0 HH22 ARG A 77 60.656 -16.059 12.912 1.00 2.34 H new ATOM 1146 N GLY A 78 67.832 -18.970 7.901 1.00 25.02 N ATOM 1147 CA GLY A 78 69.229 -18.695 7.620 1.00 71.14 C ATOM 1148 C GLY A 78 70.162 -19.691 8.280 1.00 35.21 C ATOM 1149 O GLY A 78 71.319 -19.378 8.557 1.00 42.02 O ATOM 0 H GLY A 78 67.385 -19.620 7.254 1.00 25.02 H new ATOM 0 HA2 GLY A 78 69.389 -18.711 6.542 1.00 71.14 H new ATOM 0 HA3 GLY A 78 69.474 -17.690 7.963 1.00 71.14 H new ATOM 1153 N ASP A 79 69.656 -20.893 8.535 1.00 61.23 N ATOM 1154 CA ASP A 79 70.452 -21.938 9.168 1.00 73.42 C ATOM 1155 C ASP A 79 71.190 -22.767 8.122 1.00 30.33 C ATOM 1156 O ASP A 79 70.591 -23.591 7.430 1.00 21.32 O ATOM 1157 CB ASP A 79 69.559 -22.844 10.017 1.00 13.43 C ATOM 1158 CG ASP A 79 69.401 -22.335 11.436 1.00 54.10 C ATOM 1159 OD1 ASP A 79 70.257 -22.666 12.284 1.00 75.12 O ATOM 1160 OD2 ASP A 79 68.424 -21.604 11.699 1.00 54.02 O ATOM 0 H ASP A 79 68.699 -21.167 8.313 1.00 61.23 H new ATOM 0 HA ASP A 79 71.189 -21.459 9.813 1.00 73.42 H new ATOM 0 HB2 ASP A 79 68.577 -22.922 9.550 1.00 13.43 H new ATOM 0 HB3 ASP A 79 69.982 -23.848 10.039 1.00 13.43 H new ATOM 1165 N THR A 80 72.496 -22.543 8.010 1.00 1.43 N ATOM 1166 CA THR A 80 73.316 -23.267 7.047 1.00 21.14 C ATOM 1167 C THR A 80 73.826 -24.578 7.636 1.00 41.34 C ATOM 1168 O THR A 80 74.668 -24.580 8.535 1.00 23.22 O ATOM 1169 CB THR A 80 74.519 -22.422 6.586 1.00 12.43 C ATOM 1170 OG1 THR A 80 75.486 -23.258 5.941 1.00 31.33 O ATOM 1171 CG2 THR A 80 75.163 -21.709 7.765 1.00 2.24 C ATOM 0 H THR A 80 73.008 -21.866 8.575 1.00 1.43 H new ATOM 0 HA THR A 80 72.681 -23.480 6.187 1.00 21.14 H new ATOM 0 HB THR A 80 74.160 -21.672 5.881 1.00 12.43 H new ATOM 0 HG1 THR A 80 76.016 -22.722 5.315 1.00 31.33 H new ATOM 0 HG21 THR A 80 76.010 -21.119 7.415 1.00 2.24 H new ATOM 0 HG22 THR A 80 74.432 -21.051 8.236 1.00 2.24 H new ATOM 0 HG23 THR A 80 75.509 -22.445 8.491 1.00 2.24 H new ATOM 1179 N LEU A 81 73.311 -25.690 7.123 1.00 2.43 N ATOM 1180 CA LEU A 81 73.716 -27.009 7.598 1.00 41.14 C ATOM 1181 C LEU A 81 74.818 -27.590 6.717 1.00 33.15 C ATOM 1182 O LEU A 81 74.715 -27.586 5.490 1.00 10.14 O ATOM 1183 CB LEU A 81 72.515 -27.955 7.621 1.00 75.23 C ATOM 1184 CG LEU A 81 71.577 -27.879 6.415 1.00 21.04 C ATOM 1185 CD1 LEU A 81 71.407 -29.252 5.784 1.00 24.24 C ATOM 1186 CD2 LEU A 81 70.227 -27.308 6.824 1.00 44.33 C ATOM 0 H LEU A 81 72.613 -25.705 6.379 1.00 2.43 H new ATOM 0 HA LEU A 81 74.105 -26.900 8.611 1.00 41.14 H new ATOM 0 HB2 LEU A 81 72.885 -28.977 7.705 1.00 75.23 H new ATOM 0 HB3 LEU A 81 71.935 -27.751 8.521 1.00 75.23 H new ATOM 0 HG LEU A 81 72.022 -27.214 5.675 1.00 21.04 H new ATOM 0 HD11 LEU A 81 70.737 -29.178 4.928 1.00 24.24 H new ATOM 0 HD12 LEU A 81 72.377 -29.624 5.454 1.00 24.24 H new ATOM 0 HD13 LEU A 81 70.985 -29.940 6.517 1.00 24.24 H new ATOM 0 HD21 LEU A 81 69.573 -27.261 5.953 1.00 44.33 H new ATOM 0 HD22 LEU A 81 69.776 -27.948 7.583 1.00 44.33 H new ATOM 0 HD23 LEU A 81 70.364 -26.305 7.229 1.00 44.33 H new ATOM 1198 N THR A 82 75.873 -28.093 7.352 1.00 74.12 N ATOM 1199 CA THR A 82 76.993 -28.679 6.627 1.00 50.20 C ATOM 1200 C THR A 82 76.828 -30.187 6.487 1.00 20.41 C ATOM 1201 O THR A 82 77.075 -30.938 7.430 1.00 22.25 O ATOM 1202 CB THR A 82 78.332 -28.383 7.329 1.00 31.22 C ATOM 1203 OG1 THR A 82 79.400 -29.052 6.647 1.00 14.52 O ATOM 1204 CG2 THR A 82 78.292 -28.831 8.783 1.00 65.12 C ATOM 0 H THR A 82 75.974 -28.106 8.367 1.00 74.12 H new ATOM 0 HA THR A 82 77.002 -28.224 5.637 1.00 50.20 H new ATOM 0 HB THR A 82 78.501 -27.307 7.302 1.00 31.22 H new ATOM 0 HG1 THR A 82 80.248 -28.858 7.098 1.00 14.52 H new ATOM 0 HG21 THR A 82 79.248 -28.612 9.258 1.00 65.12 H new ATOM 0 HG22 THR A 82 77.497 -28.299 9.306 1.00 65.12 H new ATOM 0 HG23 THR A 82 78.102 -29.903 8.828 1.00 65.12 H new ATOM 1212 N ILE A 83 76.410 -30.624 5.303 1.00 33.41 N ATOM 1213 CA ILE A 83 76.214 -32.044 5.040 1.00 24.15 C ATOM 1214 C ILE A 83 76.861 -32.453 3.720 1.00 73.42 C ATOM 1215 O ILE A 83 76.649 -31.814 2.690 1.00 72.31 O ATOM 1216 CB ILE A 83 74.718 -32.409 5.001 1.00 44.23 C ATOM 1217 CG1 ILE A 83 74.352 -33.006 3.641 1.00 24.35 C ATOM 1218 CG2 ILE A 83 73.866 -31.183 5.293 1.00 1.53 C ATOM 1219 CD1 ILE A 83 74.052 -31.966 2.584 1.00 0.25 C ATOM 0 H ILE A 83 76.201 -30.015 4.512 1.00 33.41 H new ATOM 0 HA ILE A 83 76.690 -32.585 5.858 1.00 24.15 H new ATOM 0 HB ILE A 83 74.521 -33.156 5.770 1.00 44.23 H new ATOM 0 HG12 ILE A 83 75.173 -33.635 3.297 1.00 24.35 H new ATOM 0 HG13 ILE A 83 73.483 -33.653 3.760 1.00 24.35 H new ATOM 0 HG21 ILE A 83 72.811 -31.457 5.262 1.00 1.53 H new ATOM 0 HG22 ILE A 83 74.111 -30.797 6.282 1.00 1.53 H new ATOM 0 HG23 ILE A 83 74.064 -30.416 4.544 1.00 1.53 H new ATOM 0 HD11 ILE A 83 73.801 -32.462 1.647 1.00 0.25 H new ATOM 0 HD12 ILE A 83 73.211 -31.352 2.906 1.00 0.25 H new ATOM 0 HD13 ILE A 83 74.928 -31.334 2.437 1.00 0.25 H new ATOM 1231 N GLY A 84 77.648 -33.524 3.759 1.00 73.24 N ATOM 1232 CA GLY A 84 78.311 -34.000 2.560 1.00 44.12 C ATOM 1233 C GLY A 84 79.381 -33.044 2.070 1.00 71.34 C ATOM 1234 O GLY A 84 80.560 -33.393 2.025 1.00 14.22 O ATOM 0 H GLY A 84 77.838 -34.070 4.599 1.00 73.24 H new ATOM 0 HA2 GLY A 84 78.761 -34.973 2.759 1.00 44.12 H new ATOM 0 HA3 GLY A 84 77.571 -34.146 1.773 1.00 44.12 H new ATOM 1238 N GLU A 85 78.966 -31.836 1.699 1.00 5.52 N ATOM 1239 CA GLU A 85 79.899 -30.828 1.208 1.00 65.44 C ATOM 1240 C GLU A 85 80.272 -29.845 2.314 1.00 24.15 C ATOM 1241 O GLU A 85 81.301 -29.997 2.970 1.00 43.30 O ATOM 1242 CB GLU A 85 79.290 -30.074 0.024 1.00 43.51 C ATOM 1243 CG GLU A 85 79.461 -30.787 -1.306 1.00 62.22 C ATOM 1244 CD GLU A 85 80.913 -30.888 -1.732 1.00 22.34 C ATOM 1245 OE1 GLU A 85 81.771 -30.272 -1.067 1.00 64.01 O ATOM 1246 OE2 GLU A 85 81.190 -31.586 -2.731 1.00 2.42 O ATOM 0 H GLU A 85 77.993 -31.532 1.729 1.00 5.52 H new ATOM 0 HA GLU A 85 80.805 -31.337 0.880 1.00 65.44 H new ATOM 0 HB2 GLU A 85 78.227 -29.921 0.210 1.00 43.51 H new ATOM 0 HB3 GLU A 85 79.748 -29.087 -0.041 1.00 43.51 H new ATOM 0 HG2 GLU A 85 79.037 -31.789 -1.234 1.00 62.22 H new ATOM 0 HG3 GLU A 85 78.897 -30.257 -2.073 1.00 62.22 H new ATOM 1253 N GLU A 86 79.426 -28.839 2.513 1.00 25.11 N ATOM 1254 CA GLU A 86 79.669 -27.832 3.539 1.00 52.15 C ATOM 1255 C GLU A 86 78.358 -27.204 4.005 1.00 21.33 C ATOM 1256 O GLU A 86 77.340 -27.285 3.318 1.00 31.20 O ATOM 1257 CB GLU A 86 80.605 -26.745 3.006 1.00 15.11 C ATOM 1258 CG GLU A 86 81.958 -27.273 2.558 1.00 14.34 C ATOM 1259 CD GLU A 86 82.953 -26.164 2.278 1.00 24.22 C ATOM 1260 OE1 GLU A 86 82.521 -25.073 1.853 1.00 20.30 O ATOM 1261 OE2 GLU A 86 84.165 -26.388 2.484 1.00 33.10 O ATOM 0 H GLU A 86 78.568 -28.700 1.979 1.00 25.11 H new ATOM 0 HA GLU A 86 80.141 -28.323 4.390 1.00 52.15 H new ATOM 0 HB2 GLU A 86 80.124 -26.243 2.166 1.00 15.11 H new ATOM 0 HB3 GLU A 86 80.756 -25.995 3.782 1.00 15.11 H new ATOM 0 HG2 GLU A 86 82.360 -27.931 3.328 1.00 14.34 H new ATOM 0 HG3 GLU A 86 81.829 -27.876 1.659 1.00 14.34 H new ATOM 1268 N ASN A 87 78.392 -26.579 5.177 1.00 34.02 N ATOM 1269 CA ASN A 87 77.207 -25.939 5.737 1.00 72.34 C ATOM 1270 C ASN A 87 76.552 -25.017 4.713 1.00 73.35 C ATOM 1271 O ASN A 87 77.190 -24.107 4.183 1.00 64.01 O ATOM 1272 CB ASN A 87 77.575 -25.146 6.992 1.00 63.12 C ATOM 1273 CG ASN A 87 78.973 -24.562 6.918 1.00 60.10 C ATOM 1274 OD1 ASN A 87 79.964 -25.292 6.947 1.00 2.14 O ATOM 1275 ND2 ASN A 87 79.058 -23.241 6.823 1.00 35.12 N ATOM 0 H ASN A 87 79.227 -26.502 5.758 1.00 34.02 H new ATOM 0 HA ASN A 87 76.495 -26.720 6.005 1.00 72.34 H new ATOM 0 HB2 ASN A 87 76.855 -24.340 7.134 1.00 63.12 H new ATOM 0 HB3 ASN A 87 77.501 -25.796 7.864 1.00 63.12 H new ATOM 0 HD21 ASN A 87 79.972 -22.791 6.771 1.00 35.12 H new ATOM 0 HD22 ASN A 87 78.209 -22.676 6.802 1.00 35.12 H new ATOM 1282 N PHE A 88 75.274 -25.257 4.439 1.00 34.34 N ATOM 1283 CA PHE A 88 74.532 -24.450 3.479 1.00 73.14 C ATOM 1284 C PHE A 88 73.191 -24.009 4.060 1.00 61.32 C ATOM 1285 O PHE A 88 72.351 -24.838 4.407 1.00 31.31 O ATOM 1286 CB PHE A 88 74.307 -25.235 2.185 1.00 54.32 C ATOM 1287 CG PHE A 88 75.568 -25.806 1.604 1.00 3.54 C ATOM 1288 CD1 PHE A 88 76.740 -25.067 1.595 1.00 54.13 C ATOM 1289 CD2 PHE A 88 75.583 -27.084 1.067 1.00 11.21 C ATOM 1290 CE1 PHE A 88 77.902 -25.590 1.060 1.00 61.31 C ATOM 1291 CE2 PHE A 88 76.742 -27.612 0.532 1.00 4.11 C ATOM 1292 CZ PHE A 88 77.903 -26.865 0.529 1.00 42.42 C ATOM 0 H PHE A 88 74.730 -26.005 4.869 1.00 34.34 H new ATOM 0 HA PHE A 88 75.122 -23.561 3.258 1.00 73.14 H new ATOM 0 HB2 PHE A 88 73.606 -26.047 2.379 1.00 54.32 H new ATOM 0 HB3 PHE A 88 73.841 -24.580 1.449 1.00 54.32 H new ATOM 0 HD1 PHE A 88 76.746 -24.070 2.011 1.00 54.13 H new ATOM 0 HD2 PHE A 88 74.678 -27.674 1.067 1.00 11.21 H new ATOM 0 HE1 PHE A 88 78.808 -25.002 1.057 1.00 61.31 H new ATOM 0 HE2 PHE A 88 76.740 -28.609 0.116 1.00 4.11 H new ATOM 0 HZ PHE A 88 78.810 -27.277 0.112 1.00 42.42 H new ATOM 1302 N TRP A 89 72.999 -22.699 4.161 1.00 4.55 N ATOM 1303 CA TRP A 89 71.762 -22.148 4.701 1.00 72.15 C ATOM 1304 C TRP A 89 70.660 -22.151 3.646 1.00 33.31 C ATOM 1305 O TRP A 89 70.898 -21.826 2.484 1.00 51.24 O ATOM 1306 CB TRP A 89 71.992 -20.723 5.210 1.00 4.24 C ATOM 1307 CG TRP A 89 72.596 -19.816 4.181 1.00 53.23 C ATOM 1308 CD1 TRP A 89 72.000 -19.361 3.039 1.00 3.53 C ATOM 1309 CD2 TRP A 89 73.913 -19.254 4.201 1.00 71.31 C ATOM 1310 NE1 TRP A 89 72.869 -18.551 2.348 1.00 71.23 N ATOM 1311 CE2 TRP A 89 74.048 -18.468 3.040 1.00 62.45 C ATOM 1312 CE3 TRP A 89 74.990 -19.337 5.088 1.00 52.14 C ATOM 1313 CZ2 TRP A 89 75.216 -17.772 2.744 1.00 4.40 C ATOM 1314 CZ3 TRP A 89 76.150 -18.645 4.792 1.00 21.32 C ATOM 1315 CH2 TRP A 89 76.255 -17.871 3.629 1.00 23.14 C ATOM 0 H TRP A 89 73.684 -21.999 3.876 1.00 4.55 H new ATOM 0 HA TRP A 89 71.447 -22.777 5.533 1.00 72.15 H new ATOM 0 HB2 TRP A 89 71.041 -20.305 5.540 1.00 4.24 H new ATOM 0 HB3 TRP A 89 72.645 -20.757 6.082 1.00 4.24 H new ATOM 0 HD1 TRP A 89 70.995 -19.602 2.726 1.00 3.53 H new ATOM 0 HE1 TRP A 89 72.668 -18.086 1.462 1.00 71.23 H new ATOM 0 HE3 TRP A 89 74.918 -19.930 5.987 1.00 52.14 H new ATOM 0 HZ2 TRP A 89 75.300 -17.175 1.848 1.00 4.40 H new ATOM 0 HZ3 TRP A 89 76.990 -18.702 5.469 1.00 21.32 H new ATOM 0 HH2 TRP A 89 77.174 -17.342 3.427 1.00 23.14 H new ATOM 1326 N VAL A 90 69.452 -22.522 4.061 1.00 41.54 N ATOM 1327 CA VAL A 90 68.313 -22.566 3.151 1.00 11.31 C ATOM 1328 C VAL A 90 67.512 -21.270 3.210 1.00 32.35 C ATOM 1329 O VAL A 90 67.242 -20.744 4.290 1.00 31.35 O ATOM 1330 CB VAL A 90 67.381 -23.748 3.477 1.00 32.22 C ATOM 1331 CG1 VAL A 90 67.105 -23.815 4.972 1.00 63.13 C ATOM 1332 CG2 VAL A 90 66.083 -23.635 2.691 1.00 0.13 C ATOM 0 H VAL A 90 69.237 -22.796 5.020 1.00 41.54 H new ATOM 0 HA VAL A 90 68.715 -22.696 2.146 1.00 11.31 H new ATOM 0 HB VAL A 90 67.878 -24.672 3.182 1.00 32.22 H new ATOM 0 HG11 VAL A 90 66.445 -24.656 5.183 1.00 63.13 H new ATOM 0 HG12 VAL A 90 68.044 -23.947 5.510 1.00 63.13 H new ATOM 0 HG13 VAL A 90 66.628 -22.890 5.296 1.00 63.13 H new ATOM 0 HG21 VAL A 90 65.436 -24.478 2.933 1.00 0.13 H new ATOM 0 HG22 VAL A 90 65.579 -22.704 2.952 1.00 0.13 H new ATOM 0 HG23 VAL A 90 66.302 -23.641 1.623 1.00 0.13 H new ATOM 1342 N ASP A 91 67.133 -20.762 2.043 1.00 72.12 N ATOM 1343 CA ASP A 91 66.360 -19.528 1.961 1.00 15.34 C ATOM 1344 C ASP A 91 64.979 -19.709 2.584 1.00 4.33 C ATOM 1345 O ASP A 91 64.720 -19.234 3.690 1.00 61.22 O ATOM 1346 CB ASP A 91 66.222 -19.084 0.504 1.00 54.40 C ATOM 1347 CG ASP A 91 66.592 -17.627 0.305 1.00 1.15 C ATOM 1348 OD1 ASP A 91 65.796 -16.752 0.706 1.00 64.54 O ATOM 1349 OD2 ASP A 91 67.679 -17.362 -0.249 1.00 44.01 O ATOM 0 H ASP A 91 67.348 -21.185 1.140 1.00 72.12 H new ATOM 0 HA ASP A 91 66.892 -18.757 2.519 1.00 15.34 H new ATOM 0 HB2 ASP A 91 66.859 -19.707 -0.124 1.00 54.40 H new ATOM 0 HB3 ASP A 91 65.195 -19.243 0.174 1.00 54.40 H new ATOM 1354 N ARG A 92 64.098 -20.397 1.866 1.00 33.14 N ATOM 1355 CA ARG A 92 62.743 -20.639 2.349 1.00 41.35 C ATOM 1356 C ARG A 92 62.171 -21.917 1.742 1.00 55.05 C ATOM 1357 O ARG A 92 62.003 -22.018 0.526 1.00 75.13 O ATOM 1358 CB ARG A 92 61.840 -19.451 2.011 1.00 74.11 C ATOM 1359 CG ARG A 92 61.412 -18.646 3.227 1.00 41.23 C ATOM 1360 CD ARG A 92 60.443 -19.428 4.099 1.00 53.02 C ATOM 1361 NE ARG A 92 61.082 -19.934 5.310 1.00 14.42 N ATOM 1362 CZ ARG A 92 60.412 -20.459 6.331 1.00 21.13 C ATOM 1363 NH1 ARG A 92 59.090 -20.547 6.285 1.00 62.41 N ATOM 1364 NH2 ARG A 92 61.066 -20.898 7.399 1.00 32.41 N ATOM 0 H ARG A 92 64.297 -20.796 0.949 1.00 33.14 H new ATOM 0 HA ARG A 92 62.784 -20.759 3.432 1.00 41.35 H new ATOM 0 HB2 ARG A 92 62.363 -18.794 1.317 1.00 74.11 H new ATOM 0 HB3 ARG A 92 60.951 -19.816 1.496 1.00 74.11 H new ATOM 0 HG2 ARG A 92 62.290 -18.373 3.812 1.00 41.23 H new ATOM 0 HG3 ARG A 92 60.943 -17.717 2.903 1.00 41.23 H new ATOM 0 HD2 ARG A 92 59.604 -18.788 4.372 1.00 53.02 H new ATOM 0 HD3 ARG A 92 60.035 -20.263 3.529 1.00 53.02 H new ATOM 0 HE ARG A 92 62.099 -19.882 5.376 1.00 14.42 H new ATOM 0 HH11 ARG A 92 58.585 -20.211 5.465 1.00 62.41 H new ATOM 0 HH12 ARG A 92 58.578 -20.950 7.070 1.00 62.41 H new ATOM 0 HH21 ARG A 92 62.083 -20.833 7.437 1.00 32.41 H new ATOM 0 HH22 ARG A 92 60.551 -21.301 8.182 1.00 32.41 H new ATOM 1378 N VAL A 93 61.872 -22.889 2.597 1.00 63.10 N ATOM 1379 CA VAL A 93 61.317 -24.159 2.145 1.00 30.34 C ATOM 1380 C VAL A 93 59.869 -24.318 2.594 1.00 54.23 C ATOM 1381 O VAL A 93 59.513 -23.957 3.717 1.00 22.12 O ATOM 1382 CB VAL A 93 62.139 -25.350 2.674 1.00 44.25 C ATOM 1383 CG1 VAL A 93 61.557 -25.862 3.983 1.00 41.50 C ATOM 1384 CG2 VAL A 93 62.195 -26.461 1.636 1.00 72.44 C ATOM 0 H VAL A 93 62.005 -22.822 3.606 1.00 63.10 H new ATOM 0 HA VAL A 93 61.358 -24.152 1.056 1.00 30.34 H new ATOM 0 HB VAL A 93 63.157 -25.010 2.865 1.00 44.25 H new ATOM 0 HG11 VAL A 93 62.151 -26.703 4.341 1.00 41.50 H new ATOM 0 HG12 VAL A 93 61.574 -25.064 4.725 1.00 41.50 H new ATOM 0 HG13 VAL A 93 60.529 -26.186 3.822 1.00 41.50 H new ATOM 0 HG21 VAL A 93 62.779 -27.294 2.026 1.00 72.44 H new ATOM 0 HG22 VAL A 93 61.184 -26.801 1.412 1.00 72.44 H new ATOM 0 HG23 VAL A 93 62.662 -26.085 0.726 1.00 72.44 H new ATOM 1394 N SER A 94 59.036 -24.858 1.710 1.00 52.21 N ATOM 1395 CA SER A 94 57.624 -25.061 2.014 1.00 52.11 C ATOM 1396 C SER A 94 57.132 -26.388 1.447 1.00 31.34 C ATOM 1397 O SER A 94 56.901 -26.533 0.246 1.00 52.42 O ATOM 1398 CB SER A 94 56.789 -23.910 1.448 1.00 20.24 C ATOM 1399 OG SER A 94 57.350 -23.418 0.243 1.00 53.11 O ATOM 0 H SER A 94 59.314 -25.163 0.777 1.00 52.21 H new ATOM 0 HA SER A 94 57.510 -25.085 3.098 1.00 52.11 H new ATOM 0 HB2 SER A 94 55.770 -24.251 1.266 1.00 20.24 H new ATOM 0 HB3 SER A 94 56.730 -23.105 2.181 1.00 20.24 H new ATOM 0 HG SER A 94 56.798 -22.685 -0.100 1.00 53.11 H new ATOM 1405 N PRO A 95 56.968 -27.384 2.331 1.00 75.32 N ATOM 1406 CA PRO A 95 56.500 -28.718 1.944 1.00 2.04 C ATOM 1407 C PRO A 95 55.035 -28.719 1.522 1.00 4.12 C ATOM 1408 O PRO A 95 54.345 -27.707 1.638 1.00 21.40 O ATOM 1409 CB PRO A 95 56.690 -29.544 3.219 1.00 70.22 C ATOM 1410 CG PRO A 95 56.630 -28.550 4.327 1.00 33.30 C ATOM 1411 CD PRO A 95 57.224 -27.282 3.778 1.00 62.23 C ATOM 0 HA PRO A 95 57.044 -29.107 1.083 1.00 2.04 H new ATOM 0 HB2 PRO A 95 55.910 -30.299 3.322 1.00 70.22 H new ATOM 0 HB3 PRO A 95 57.644 -30.071 3.211 1.00 70.22 H new ATOM 0 HG2 PRO A 95 55.602 -28.390 4.653 1.00 33.30 H new ATOM 0 HG3 PRO A 95 57.189 -28.899 5.195 1.00 33.30 H new ATOM 0 HD2 PRO A 95 56.753 -26.398 4.208 1.00 62.23 H new ATOM 0 HD3 PRO A 95 58.290 -27.211 3.994 1.00 62.23 H new ATOM 1419 N ASP A 96 54.567 -29.861 1.031 1.00 63.21 N ATOM 1420 CA ASP A 96 53.183 -29.995 0.592 1.00 74.02 C ATOM 1421 C ASP A 96 52.380 -30.840 1.577 1.00 54.45 C ATOM 1422 O ASP A 96 51.163 -30.974 1.446 1.00 30.41 O ATOM 1423 CB ASP A 96 53.125 -30.622 -0.801 1.00 61.03 C ATOM 1424 CG ASP A 96 53.990 -29.884 -1.805 1.00 34.11 C ATOM 1425 OD1 ASP A 96 54.395 -28.740 -1.510 1.00 1.44 O ATOM 1426 OD2 ASP A 96 54.262 -30.451 -2.883 1.00 64.23 O ATOM 0 H ASP A 96 55.126 -30.708 0.927 1.00 63.21 H new ATOM 0 HA ASP A 96 52.743 -28.999 0.552 1.00 74.02 H new ATOM 0 HB2 ASP A 96 53.448 -31.661 -0.742 1.00 61.03 H new ATOM 0 HB3 ASP A 96 52.093 -30.628 -1.151 1.00 61.03 H new ATOM 1431 N ASP A 97 53.068 -31.406 2.562 1.00 51.21 N ATOM 1432 CA ASP A 97 52.420 -32.237 3.569 1.00 21.50 C ATOM 1433 C ASP A 97 53.185 -32.190 4.888 1.00 74.14 C ATOM 1434 O ASP A 97 53.224 -33.170 5.629 1.00 14.04 O ATOM 1435 CB ASP A 97 52.314 -33.682 3.078 1.00 22.01 C ATOM 1436 CG ASP A 97 53.671 -34.343 2.928 1.00 73.03 C ATOM 1437 OD1 ASP A 97 54.692 -33.629 3.020 1.00 42.14 O ATOM 1438 OD2 ASP A 97 53.711 -35.573 2.720 1.00 1.24 O ATOM 0 H ASP A 97 54.075 -31.304 2.685 1.00 51.21 H new ATOM 0 HA ASP A 97 51.417 -31.844 3.737 1.00 21.50 H new ATOM 0 HB2 ASP A 97 51.708 -34.257 3.778 1.00 22.01 H new ATOM 0 HB3 ASP A 97 51.796 -33.700 2.119 1.00 22.01 H new ATOM 1443 N GLY A 98 53.792 -31.042 5.172 1.00 13.14 N ATOM 1444 CA GLY A 98 54.549 -30.888 6.402 1.00 64.40 C ATOM 1445 C GLY A 98 55.452 -32.074 6.678 1.00 0.31 C ATOM 1446 O GLY A 98 55.218 -32.834 7.617 1.00 3.23 O ATOM 0 H GLY A 98 53.774 -30.216 4.573 1.00 13.14 H new ATOM 0 HA2 GLY A 98 55.152 -29.982 6.343 1.00 64.40 H new ATOM 0 HA3 GLY A 98 53.859 -30.758 7.236 1.00 64.40 H new ATOM 1450 N GLY A 99 56.486 -32.233 5.858 1.00 55.43 N ATOM 1451 CA GLY A 99 57.411 -33.337 6.036 1.00 71.34 C ATOM 1452 C GLY A 99 58.417 -33.438 4.906 1.00 15.12 C ATOM 1453 O GLY A 99 59.531 -33.923 5.100 1.00 11.43 O ATOM 0 H GLY A 99 56.700 -31.617 5.074 1.00 55.43 H new ATOM 0 HA2 GLY A 99 57.941 -33.214 6.980 1.00 71.34 H new ATOM 0 HA3 GLY A 99 56.851 -34.269 6.104 1.00 71.34 H new ATOM 1457 N SER A 100 58.023 -32.980 3.723 1.00 45.21 N ATOM 1458 CA SER A 100 58.897 -33.026 2.555 1.00 15.23 C ATOM 1459 C SER A 100 59.111 -31.628 1.982 1.00 62.43 C ATOM 1460 O SER A 100 58.253 -31.099 1.273 1.00 74.53 O ATOM 1461 CB SER A 100 58.306 -33.945 1.485 1.00 52.33 C ATOM 1462 OG SER A 100 58.777 -35.273 1.637 1.00 71.13 O ATOM 0 H SER A 100 57.105 -32.573 3.547 1.00 45.21 H new ATOM 0 HA SER A 100 59.863 -33.422 2.869 1.00 15.23 H new ATOM 0 HB2 SER A 100 57.218 -33.932 1.550 1.00 52.33 H new ATOM 0 HB3 SER A 100 58.570 -33.573 0.495 1.00 52.33 H new ATOM 0 HG SER A 100 59.708 -35.327 1.335 1.00 71.13 H new ATOM 1468 N CYS A 101 60.259 -31.037 2.291 1.00 12.22 N ATOM 1469 CA CYS A 101 60.586 -29.700 1.808 1.00 25.50 C ATOM 1470 C CYS A 101 61.895 -29.711 1.025 1.00 63.15 C ATOM 1471 O CYS A 101 62.750 -30.571 1.235 1.00 31.43 O ATOM 1472 CB CYS A 101 60.685 -28.721 2.979 1.00 5.05 C ATOM 1473 SG CYS A 101 59.923 -29.318 4.506 1.00 75.22 S ATOM 0 H CYS A 101 60.980 -31.462 2.874 1.00 12.22 H new ATOM 0 HA CYS A 101 59.787 -29.376 1.141 1.00 25.50 H new ATOM 0 HB2 CYS A 101 61.736 -28.505 3.170 1.00 5.05 H new ATOM 0 HB3 CYS A 101 60.213 -27.781 2.694 1.00 5.05 H new ATOM 0 HG CYS A 101 60.609 -30.320 4.970 1.00 75.22 H new ATOM 1479 N HIS A 102 62.044 -28.750 0.119 1.00 2.11 N ATOM 1480 CA HIS A 102 63.249 -28.649 -0.697 1.00 74.23 C ATOM 1481 C HIS A 102 63.438 -27.225 -1.213 1.00 23.32 C ATOM 1482 O HIS A 102 62.558 -26.670 -1.873 1.00 30.24 O ATOM 1483 CB HIS A 102 63.177 -29.624 -1.873 1.00 35.25 C ATOM 1484 CG HIS A 102 61.882 -29.565 -2.621 1.00 45.33 C ATOM 1485 ND1 HIS A 102 61.660 -28.701 -3.673 1.00 61.14 N ATOM 1486 CD2 HIS A 102 60.737 -30.271 -2.467 1.00 45.24 C ATOM 1487 CE1 HIS A 102 60.433 -28.877 -4.133 1.00 3.24 C ATOM 1488 NE2 HIS A 102 59.853 -29.824 -3.418 1.00 61.42 N ATOM 0 H HIS A 102 61.346 -28.030 -0.069 1.00 2.11 H new ATOM 0 HA HIS A 102 64.104 -28.907 -0.072 1.00 74.23 H new ATOM 0 HB2 HIS A 102 63.995 -29.411 -2.561 1.00 35.25 H new ATOM 0 HB3 HIS A 102 63.328 -30.638 -1.503 1.00 35.25 H new ATOM 0 HD2 HIS A 102 60.553 -31.042 -1.733 1.00 45.24 H new ATOM 0 HE1 HIS A 102 59.982 -28.338 -4.953 1.00 3.24 H new ATOM 0 HE2 HIS A 102 58.902 -30.168 -3.551 1.00 61.42 H new ATOM 1496 N LEU A 103 64.590 -26.638 -0.907 1.00 32.44 N ATOM 1497 CA LEU A 103 64.894 -25.278 -1.338 1.00 25.35 C ATOM 1498 C LEU A 103 66.390 -25.107 -1.581 1.00 0.11 C ATOM 1499 O LEU A 103 67.215 -25.688 -0.876 1.00 35.15 O ATOM 1500 CB LEU A 103 64.416 -24.271 -0.292 1.00 15.33 C ATOM 1501 CG LEU A 103 64.487 -22.799 -0.697 1.00 75.32 C ATOM 1502 CD1 LEU A 103 65.921 -22.298 -0.644 1.00 13.41 C ATOM 1503 CD2 LEU A 103 63.900 -22.599 -2.087 1.00 5.02 C ATOM 0 H LEU A 103 65.329 -27.083 -0.362 1.00 32.44 H new ATOM 0 HA LEU A 103 64.369 -25.094 -2.275 1.00 25.35 H new ATOM 0 HB2 LEU A 103 63.383 -24.507 -0.035 1.00 15.33 H new ATOM 0 HB3 LEU A 103 65.009 -24.407 0.612 1.00 15.33 H new ATOM 0 HG LEU A 103 63.896 -22.219 0.012 1.00 75.32 H new ATOM 0 HD11 LEU A 103 65.951 -21.248 -0.936 1.00 13.41 H new ATOM 0 HD12 LEU A 103 66.306 -22.404 0.370 1.00 13.41 H new ATOM 0 HD13 LEU A 103 66.536 -22.882 -1.328 1.00 13.41 H new ATOM 0 HD21 LEU A 103 63.959 -21.545 -2.359 1.00 5.02 H new ATOM 0 HD22 LEU A 103 64.463 -23.192 -2.808 1.00 5.02 H new ATOM 0 HD23 LEU A 103 62.857 -22.917 -2.091 1.00 5.02 H new ATOM 1515 N TRP A 104 66.734 -24.304 -2.581 1.00 53.05 N ATOM 1516 CA TRP A 104 68.131 -24.053 -2.915 1.00 14.11 C ATOM 1517 C TRP A 104 68.811 -23.227 -1.828 1.00 62.33 C ATOM 1518 O TRP A 104 68.539 -22.035 -1.680 1.00 54.44 O ATOM 1519 CB TRP A 104 68.234 -23.333 -4.259 1.00 44.44 C ATOM 1520 CG TRP A 104 67.479 -24.016 -5.360 1.00 51.50 C ATOM 1521 CD1 TRP A 104 67.716 -25.263 -5.863 1.00 30.34 C ATOM 1522 CD2 TRP A 104 66.367 -23.489 -6.091 1.00 44.21 C ATOM 1523 NE1 TRP A 104 66.817 -25.544 -6.865 1.00 42.41 N ATOM 1524 CE2 TRP A 104 65.980 -24.471 -7.024 1.00 20.43 C ATOM 1525 CE3 TRP A 104 65.661 -22.284 -6.050 1.00 42.20 C ATOM 1526 CZ2 TRP A 104 64.918 -24.283 -7.904 1.00 22.21 C ATOM 1527 CZ3 TRP A 104 64.608 -22.099 -6.925 1.00 53.15 C ATOM 1528 CH2 TRP A 104 64.243 -23.094 -7.842 1.00 2.12 C ATOM 0 H TRP A 104 66.064 -23.815 -3.175 1.00 53.05 H new ATOM 0 HA TRP A 104 68.640 -25.014 -2.986 1.00 14.11 H new ATOM 0 HB2 TRP A 104 67.858 -22.316 -4.148 1.00 44.44 H new ATOM 0 HB3 TRP A 104 69.284 -23.256 -4.542 1.00 44.44 H new ATOM 0 HD1 TRP A 104 68.495 -25.930 -5.524 1.00 30.34 H new ATOM 0 HE1 TRP A 104 66.779 -26.410 -7.402 1.00 42.41 H new ATOM 0 HE3 TRP A 104 65.934 -21.511 -5.347 1.00 42.20 H new ATOM 0 HZ2 TRP A 104 64.636 -25.049 -8.611 1.00 22.21 H new ATOM 0 HZ3 TRP A 104 64.056 -21.171 -6.902 1.00 53.15 H new ATOM 0 HH2 TRP A 104 63.414 -22.919 -8.512 1.00 2.12 H new ATOM 1539 N LEU A 105 69.695 -23.866 -1.071 1.00 11.02 N ATOM 1540 CA LEU A 105 70.415 -23.190 0.002 1.00 34.32 C ATOM 1541 C LEU A 105 71.714 -22.580 -0.512 1.00 5.01 C ATOM 1542 O LEU A 105 72.208 -22.953 -1.575 1.00 55.13 O ATOM 1543 CB LEU A 105 70.712 -24.169 1.140 1.00 42.40 C ATOM 1544 CG LEU A 105 70.890 -25.633 0.735 1.00 73.10 C ATOM 1545 CD1 LEU A 105 72.018 -25.775 -0.276 1.00 34.31 C ATOM 1546 CD2 LEU A 105 71.158 -26.496 1.960 1.00 62.32 C ATOM 0 H LEU A 105 69.931 -24.852 -1.180 1.00 11.02 H new ATOM 0 HA LEU A 105 69.783 -22.386 0.379 1.00 34.32 H new ATOM 0 HB2 LEU A 105 71.619 -23.840 1.648 1.00 42.40 H new ATOM 0 HB3 LEU A 105 69.901 -24.109 1.865 1.00 42.40 H new ATOM 0 HG LEU A 105 69.966 -25.975 0.268 1.00 73.10 H new ATOM 0 HD11 LEU A 105 72.129 -26.824 -0.552 1.00 34.31 H new ATOM 0 HD12 LEU A 105 71.786 -25.189 -1.165 1.00 34.31 H new ATOM 0 HD13 LEU A 105 72.948 -25.415 0.164 1.00 34.31 H new ATOM 0 HD21 LEU A 105 71.282 -27.535 1.653 1.00 62.32 H new ATOM 0 HD22 LEU A 105 72.066 -26.153 2.455 1.00 62.32 H new ATOM 0 HD23 LEU A 105 70.318 -26.419 2.650 1.00 62.32 H new ATOM 1558 N GLY A 106 72.264 -21.639 0.251 1.00 24.32 N ATOM 1559 CA GLY A 106 73.502 -20.995 -0.144 1.00 3.45 C ATOM 1560 C GLY A 106 74.727 -21.722 0.376 1.00 53.21 C ATOM 1561 O GLY A 106 74.638 -22.498 1.327 1.00 14.42 O ATOM 0 H GLY A 106 71.874 -21.312 1.135 1.00 24.32 H new ATOM 0 HA2 GLY A 106 73.549 -20.942 -1.232 1.00 3.45 H new ATOM 0 HA3 GLY A 106 73.508 -19.969 0.225 1.00 3.45 H new ATOM 1565 N ARG A 107 75.872 -21.472 -0.250 1.00 22.25 N ATOM 1566 CA ARG A 107 77.119 -22.112 0.153 1.00 73.34 C ATOM 1567 C ARG A 107 77.576 -21.600 1.516 1.00 12.10 C ATOM 1568 O ARG A 107 77.192 -20.512 1.943 1.00 41.14 O ATOM 1569 CB ARG A 107 78.208 -21.858 -0.891 1.00 34.12 C ATOM 1570 CG ARG A 107 78.893 -20.510 -0.741 1.00 1.02 C ATOM 1571 CD ARG A 107 79.108 -19.841 -2.090 1.00 11.25 C ATOM 1572 NE ARG A 107 80.343 -19.063 -2.123 1.00 25.20 N ATOM 1573 CZ ARG A 107 81.555 -19.606 -2.087 1.00 63.10 C ATOM 1574 NH1 ARG A 107 81.694 -20.923 -2.017 1.00 32.43 N ATOM 1575 NH2 ARG A 107 82.632 -18.832 -2.122 1.00 43.31 N ATOM 0 H ARG A 107 75.962 -20.831 -1.038 1.00 22.25 H new ATOM 0 HA ARG A 107 76.941 -23.185 0.228 1.00 73.34 H new ATOM 0 HB2 ARG A 107 78.957 -22.647 -0.821 1.00 34.12 H new ATOM 0 HB3 ARG A 107 77.768 -21.924 -1.886 1.00 34.12 H new ATOM 0 HG2 ARG A 107 78.289 -19.863 -0.105 1.00 1.02 H new ATOM 0 HG3 ARG A 107 79.853 -20.642 -0.242 1.00 1.02 H new ATOM 0 HD2 ARG A 107 79.137 -20.601 -2.871 1.00 11.25 H new ATOM 0 HD3 ARG A 107 78.263 -19.189 -2.310 1.00 11.25 H new ATOM 0 HE ARG A 107 80.271 -18.047 -2.177 1.00 25.20 H new ATOM 0 HH11 ARG A 107 80.869 -21.522 -1.991 1.00 32.43 H new ATOM 0 HH12 ARG A 107 82.626 -21.337 -1.990 1.00 32.43 H new ATOM 0 HH21 ARG A 107 82.530 -17.819 -2.177 1.00 43.31 H new ATOM 0 HH22 ARG A 107 83.562 -19.250 -2.094 1.00 43.31 H new ATOM 1589 N GLY A 108 78.398 -22.393 2.195 1.00 15.55 N ATOM 1590 CA GLY A 108 78.894 -22.004 3.502 1.00 13.10 C ATOM 1591 C GLY A 108 79.961 -22.947 4.023 1.00 73.55 C ATOM 1592 O GLY A 108 79.680 -24.106 4.328 1.00 70.50 O ATOM 0 H GLY A 108 78.730 -23.299 1.863 1.00 15.55 H new ATOM 0 HA2 GLY A 108 79.302 -20.995 3.447 1.00 13.10 H new ATOM 0 HA3 GLY A 108 78.064 -21.974 4.208 1.00 13.10 H new ATOM 1596 N VAL A 109 81.189 -22.450 4.125 1.00 51.10 N ATOM 1597 CA VAL A 109 82.302 -23.256 4.612 1.00 22.31 C ATOM 1598 C VAL A 109 82.376 -23.230 6.134 1.00 54.03 C ATOM 1599 O VAL A 109 82.278 -22.178 6.767 1.00 10.12 O ATOM 1600 CB VAL A 109 83.644 -22.767 4.035 1.00 71.52 C ATOM 1601 CG1 VAL A 109 83.876 -21.306 4.388 1.00 23.41 C ATOM 1602 CG2 VAL A 109 84.788 -23.634 4.539 1.00 33.34 C ATOM 0 H VAL A 109 81.439 -21.493 3.877 1.00 51.10 H new ATOM 0 HA VAL A 109 82.122 -24.278 4.278 1.00 22.31 H new ATOM 0 HB VAL A 109 83.605 -22.852 2.949 1.00 71.52 H new ATOM 0 HG11 VAL A 109 84.829 -20.978 3.972 1.00 23.41 H new ATOM 0 HG12 VAL A 109 83.071 -20.699 3.973 1.00 23.41 H new ATOM 0 HG13 VAL A 109 83.895 -21.192 5.472 1.00 23.41 H new ATOM 0 HG21 VAL A 109 85.728 -23.274 4.121 1.00 33.34 H new ATOM 0 HG22 VAL A 109 84.831 -23.583 5.627 1.00 33.34 H new ATOM 0 HG23 VAL A 109 84.625 -24.667 4.230 1.00 33.34 H new ATOM 1612 N PRO A 110 82.551 -24.414 6.739 1.00 45.53 N ATOM 1613 CA PRO A 110 82.644 -24.553 8.196 1.00 72.55 C ATOM 1614 C PRO A 110 83.934 -23.965 8.754 1.00 0.51 C ATOM 1615 O PRO A 110 84.866 -23.637 8.017 1.00 33.34 O ATOM 1616 CB PRO A 110 82.609 -26.068 8.409 1.00 32.13 C ATOM 1617 CG PRO A 110 83.126 -26.642 7.136 1.00 70.32 C ATOM 1618 CD PRO A 110 82.676 -25.708 6.048 1.00 2.02 C ATOM 0 HA PRO A 110 81.845 -24.018 8.709 1.00 72.55 H new ATOM 0 HB2 PRO A 110 83.228 -26.363 9.256 1.00 32.13 H new ATOM 0 HB3 PRO A 110 81.597 -26.415 8.617 1.00 32.13 H new ATOM 0 HG2 PRO A 110 84.213 -26.722 7.157 1.00 70.32 H new ATOM 0 HG3 PRO A 110 82.736 -27.647 6.974 1.00 70.32 H new ATOM 0 HD2 PRO A 110 83.400 -25.661 5.234 1.00 2.02 H new ATOM 0 HD3 PRO A 110 81.728 -26.025 5.613 1.00 2.02 H new ATOM 1626 N PRO A 111 83.995 -23.825 10.086 1.00 24.34 N ATOM 1627 CA PRO A 111 85.169 -23.277 10.772 1.00 33.25 C ATOM 1628 C PRO A 111 86.365 -24.221 10.719 1.00 44.12 C ATOM 1629 O PRO A 111 87.475 -23.854 11.106 1.00 73.21 O ATOM 1630 CB PRO A 111 84.688 -23.107 12.217 1.00 63.54 C ATOM 1631 CG PRO A 111 83.591 -24.103 12.370 1.00 61.33 C ATOM 1632 CD PRO A 111 82.923 -24.195 11.026 1.00 23.20 C ATOM 0 HA PRO A 111 85.515 -22.352 10.310 1.00 33.25 H new ATOM 0 HB2 PRO A 111 85.494 -23.293 12.927 1.00 63.54 H new ATOM 0 HB3 PRO A 111 84.331 -22.093 12.399 1.00 63.54 H new ATOM 0 HG2 PRO A 111 83.984 -25.072 12.677 1.00 61.33 H new ATOM 0 HG3 PRO A 111 82.883 -23.789 13.137 1.00 61.33 H new ATOM 0 HD2 PRO A 111 82.547 -25.200 10.832 1.00 23.20 H new ATOM 0 HD3 PRO A 111 82.073 -23.517 10.953 1.00 23.20 H new ATOM 1640 N ALA A 112 86.133 -25.437 10.235 1.00 42.35 N ATOM 1641 CA ALA A 112 87.193 -26.431 10.127 1.00 4.10 C ATOM 1642 C ALA A 112 88.328 -25.931 9.240 1.00 40.41 C ATOM 1643 O ALA A 112 88.151 -24.998 8.455 1.00 41.50 O ATOM 1644 CB ALA A 112 86.637 -27.740 9.587 1.00 52.14 C ATOM 0 H ALA A 112 85.220 -25.757 9.912 1.00 42.35 H new ATOM 0 HA ALA A 112 87.596 -26.604 11.125 1.00 4.10 H new ATOM 0 HB1 ALA A 112 87.440 -28.473 9.512 1.00 52.14 H new ATOM 0 HB2 ALA A 112 85.867 -28.114 10.261 1.00 52.14 H new ATOM 0 HB3 ALA A 112 86.205 -27.572 8.600 1.00 52.14 H new ATOM 1650 N VAL A 113 89.494 -26.555 9.369 1.00 3.42 N ATOM 1651 CA VAL A 113 90.658 -26.173 8.578 1.00 4.52 C ATOM 1652 C VAL A 113 90.754 -27.005 7.304 1.00 44.12 C ATOM 1653 O VAL A 113 90.822 -28.232 7.355 1.00 11.21 O ATOM 1654 CB VAL A 113 91.961 -26.336 9.383 1.00 14.51 C ATOM 1655 CG1 VAL A 113 92.028 -25.311 10.505 1.00 21.42 C ATOM 1656 CG2 VAL A 113 92.074 -27.750 9.933 1.00 1.44 C ATOM 0 H VAL A 113 89.658 -27.328 10.014 1.00 3.42 H new ATOM 0 HA VAL A 113 90.531 -25.123 8.314 1.00 4.52 H new ATOM 0 HB VAL A 113 92.804 -26.162 8.715 1.00 14.51 H new ATOM 0 HG11 VAL A 113 92.955 -25.442 11.062 1.00 21.42 H new ATOM 0 HG12 VAL A 113 91.997 -24.307 10.083 1.00 21.42 H new ATOM 0 HG13 VAL A 113 91.179 -25.449 11.175 1.00 21.42 H new ATOM 0 HG21 VAL A 113 93.000 -27.847 10.499 1.00 1.44 H new ATOM 0 HG22 VAL A 113 91.226 -27.955 10.587 1.00 1.44 H new ATOM 0 HG23 VAL A 113 92.076 -28.462 9.108 1.00 1.44 H new ATOM 1666 N ASN A 114 90.758 -26.326 6.161 1.00 65.03 N ATOM 1667 CA ASN A 114 90.846 -27.003 4.871 1.00 11.22 C ATOM 1668 C ASN A 114 91.959 -26.404 4.017 1.00 2.32 C ATOM 1669 O ASN A 114 92.224 -25.203 4.078 1.00 32.10 O ATOM 1670 CB ASN A 114 89.511 -26.906 4.130 1.00 73.34 C ATOM 1671 CG ASN A 114 88.660 -28.149 4.306 1.00 4.41 C ATOM 1672 OD1 ASN A 114 88.388 -28.869 3.345 1.00 60.50 O ATOM 1673 ND2 ASN A 114 88.238 -28.407 5.538 1.00 33.34 N ATOM 0 H ASN A 114 90.701 -25.309 6.101 1.00 65.03 H new ATOM 0 HA ASN A 114 91.078 -28.052 5.054 1.00 11.22 H new ATOM 0 HB2 ASN A 114 88.960 -26.038 4.492 1.00 73.34 H new ATOM 0 HB3 ASN A 114 89.699 -26.745 3.068 1.00 73.34 H new ATOM 0 HD21 ASN A 114 87.664 -29.230 5.718 1.00 33.34 H new ATOM 0 HD22 ASN A 114 88.488 -27.782 6.304 1.00 33.34 H new ATOM 1680 N ARG A 115 92.606 -27.249 3.221 1.00 12.53 N ATOM 1681 CA ARG A 115 93.692 -26.803 2.356 1.00 23.10 C ATOM 1682 C ARG A 115 93.144 -26.201 1.064 1.00 12.04 C ATOM 1683 O ARG A 115 92.565 -26.904 0.237 1.00 34.41 O ATOM 1684 CB ARG A 115 94.626 -27.971 2.031 1.00 54.14 C ATOM 1685 CG ARG A 115 95.808 -28.088 2.979 1.00 41.43 C ATOM 1686 CD ARG A 115 97.062 -28.548 2.251 1.00 74.34 C ATOM 1687 NE ARG A 115 97.894 -27.425 1.830 1.00 11.00 N ATOM 1688 CZ ARG A 115 98.854 -27.523 0.918 1.00 11.13 C ATOM 1689 NH1 ARG A 115 99.102 -28.688 0.334 1.00 0.41 N ATOM 1690 NH2 ARG A 115 99.569 -26.456 0.587 1.00 1.30 N ATOM 0 H ARG A 115 92.397 -28.245 3.157 1.00 12.53 H new ATOM 0 HA ARG A 115 94.254 -26.034 2.886 1.00 23.10 H new ATOM 0 HB2 ARG A 115 94.056 -28.900 2.059 1.00 54.14 H new ATOM 0 HB3 ARG A 115 94.998 -27.855 1.013 1.00 54.14 H new ATOM 0 HG2 ARG A 115 95.993 -27.124 3.452 1.00 41.43 H new ATOM 0 HG3 ARG A 115 95.569 -28.793 3.775 1.00 41.43 H new ATOM 0 HD2 ARG A 115 97.640 -29.203 2.903 1.00 74.34 H new ATOM 0 HD3 ARG A 115 96.779 -29.137 1.378 1.00 74.34 H new ATOM 0 HE ARG A 115 97.729 -26.515 2.260 1.00 11.00 H new ATOM 0 HH11 ARG A 115 98.555 -29.511 0.585 1.00 0.41 H new ATOM 0 HH12 ARG A 115 99.840 -28.761 -0.366 1.00 0.41 H new ATOM 0 HH21 ARG A 115 99.382 -25.558 1.033 1.00 1.30 H new ATOM 0 HH22 ARG A 115 100.306 -26.533 -0.114 1.00 1.30 H new ATOM 1704 N ARG A 116 93.332 -24.896 0.900 1.00 12.55 N ATOM 1705 CA ARG A 116 92.856 -24.199 -0.288 1.00 53.41 C ATOM 1706 C ARG A 116 94.026 -23.726 -1.147 1.00 31.34 C ATOM 1707 O ARG A 116 95.027 -23.230 -0.630 1.00 32.12 O ATOM 1708 CB ARG A 116 91.986 -23.004 0.109 1.00 24.32 C ATOM 1709 CG ARG A 116 90.495 -23.284 0.028 1.00 62.44 C ATOM 1710 CD ARG A 116 90.045 -23.495 -1.410 1.00 31.53 C ATOM 1711 NE ARG A 116 88.727 -22.918 -1.661 1.00 32.01 N ATOM 1712 CZ ARG A 116 88.503 -21.612 -1.756 1.00 13.42 C ATOM 1713 NH1 ARG A 116 89.503 -20.753 -1.621 1.00 10.34 N ATOM 1714 NH2 ARG A 116 87.276 -21.163 -1.987 1.00 11.31 N ATOM 0 H ARG A 116 93.811 -24.300 1.575 1.00 12.55 H new ATOM 0 HA ARG A 116 92.257 -24.898 -0.872 1.00 53.41 H new ATOM 0 HB2 ARG A 116 92.236 -22.705 1.127 1.00 24.32 H new ATOM 0 HB3 ARG A 116 92.225 -22.160 -0.539 1.00 24.32 H new ATOM 0 HG2 ARG A 116 90.257 -24.169 0.618 1.00 62.44 H new ATOM 0 HG3 ARG A 116 89.943 -22.452 0.465 1.00 62.44 H new ATOM 0 HD2 ARG A 116 90.772 -23.046 -2.087 1.00 31.53 H new ATOM 0 HD3 ARG A 116 90.021 -24.562 -1.630 1.00 31.53 H new ATOM 0 HE ARG A 116 87.936 -23.552 -1.769 1.00 32.01 H new ATOM 0 HH11 ARG A 116 90.448 -21.094 -1.444 1.00 10.34 H new ATOM 0 HH12 ARG A 116 89.328 -19.751 -1.694 1.00 10.34 H new ATOM 0 HH21 ARG A 116 86.504 -21.821 -2.092 1.00 11.31 H new ATOM 0 HH22 ARG A 116 87.105 -20.160 -2.060 1.00 11.31 H new ATOM 1728 N ARG A 117 93.892 -23.886 -2.459 1.00 63.21 N ATOM 1729 CA ARG A 117 94.939 -23.477 -3.389 1.00 30.44 C ATOM 1730 C ARG A 117 95.349 -22.028 -3.143 1.00 61.51 C ATOM 1731 O ARG A 117 96.448 -21.614 -3.510 1.00 13.23 O ATOM 1732 CB ARG A 117 94.462 -23.646 -4.832 1.00 23.21 C ATOM 1733 CG ARG A 117 93.313 -22.725 -5.206 1.00 75.43 C ATOM 1734 CD ARG A 117 93.807 -21.478 -5.922 1.00 21.43 C ATOM 1735 NE ARG A 117 94.063 -21.725 -7.338 1.00 21.20 N ATOM 1736 CZ ARG A 117 94.657 -20.850 -8.142 1.00 51.20 C ATOM 1737 NH1 ARG A 117 95.054 -19.676 -7.670 1.00 51.10 N ATOM 1738 NH2 ARG A 117 94.854 -21.148 -9.420 1.00 15.44 N ATOM 0 H ARG A 117 93.070 -24.295 -2.902 1.00 63.21 H new ATOM 0 HA ARG A 117 95.807 -24.115 -3.224 1.00 30.44 H new ATOM 0 HB2 ARG A 117 95.298 -23.461 -5.506 1.00 23.21 H new ATOM 0 HB3 ARG A 117 94.152 -24.680 -4.984 1.00 23.21 H new ATOM 0 HG2 ARG A 117 92.611 -23.259 -5.846 1.00 75.43 H new ATOM 0 HG3 ARG A 117 92.769 -22.437 -4.307 1.00 75.43 H new ATOM 0 HD2 ARG A 117 93.067 -20.685 -5.821 1.00 21.43 H new ATOM 0 HD3 ARG A 117 94.721 -21.124 -5.445 1.00 21.43 H new ATOM 0 HE ARG A 117 93.770 -22.619 -7.732 1.00 21.20 H new ATOM 0 HH11 ARG A 117 94.903 -19.444 -6.688 1.00 51.10 H new ATOM 0 HH12 ARG A 117 95.510 -19.005 -8.289 1.00 51.10 H new ATOM 0 HH21 ARG A 117 94.549 -22.050 -9.786 1.00 15.44 H new ATOM 0 HH22 ARG A 117 95.310 -20.475 -10.036 1.00 15.44 H new TER 1752 ARG A 117