USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 461 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 41 GLN : amide:sc= -1.46! C(o=-2.2!,f=-7!) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.716! K(o=-2.2!,f=-4.2) USER MOD Set 2.1: A 29 ASN : amide:sc= -1.24 K(o=-2.4,f=0.16) USER MOD Set 2.2: A 33 GLN : amide:sc= -1.21 K(o=-2.4,f=0.16!) USER MOD Single : A 1 ASP N :NH3+ -165:sc= -0.0728 (180deg=-0.31) USER MOD Single : A 4 ASN : amide:sc= -1.39! C(o=-1.4!,f=-8.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.16! K(o=-3.2!,f=-0.17) USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.113 (180deg=-0.708) USER MOD Single : A 10 GLN : amide:sc= -3.69! C(o=-3.7!,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0466 K(o=-0.047,f=-0.67) USER MOD Single : A 22 ASN : amide:sc= -0.766 K(o=-0.77,f=-3!) USER MOD Single : A 24 ASN : amide:sc= -14.3! C(o=-14!,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= -2.06! C(o=-2.1!,f=-7.3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -97:sc= 0.0215 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.0904 (180deg=-0.536) USER MOD Single : A 53 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.9!) USER MOD Single : A 56 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -14.850 4.967 84.634 1.00 4.00 N ATOM 2 CA ASP A 1 -14.242 3.855 85.417 1.00 0.02 C ATOM 3 C ASP A 1 -12.952 3.406 84.742 1.00 22.23 C ATOM 4 O ASP A 1 -12.096 2.781 85.367 1.00 11.23 O ATOM 5 CB ASP A 1 -15.229 2.688 85.489 1.00 4.31 C ATOM 6 CG ASP A 1 -14.679 1.595 86.399 1.00 21.31 C ATOM 7 OD1 ASP A 1 -13.639 1.817 86.997 1.00 62.33 O ATOM 8 OD2 ASP A 1 -15.306 0.551 86.484 1.00 55.03 O ATOM 0 H1 ASP A 1 -15.575 5.441 85.210 1.00 4.00 H new ATOM 0 H2 ASP A 1 -14.112 5.652 84.373 1.00 4.00 H new ATOM 0 H3 ASP A 1 -15.288 4.585 83.772 1.00 4.00 H new ATOM 0 HA ASP A 1 -14.016 4.196 86.427 1.00 0.02 H new ATOM 0 HB2 ASP A 1 -16.190 3.037 85.866 1.00 4.31 H new ATOM 0 HB3 ASP A 1 -15.404 2.287 84.491 1.00 4.31 H new ATOM 15 N VAL A 2 -12.819 3.731 83.454 1.00 72.12 N ATOM 16 CA VAL A 2 -11.629 3.363 82.681 1.00 65.50 C ATOM 17 C VAL A 2 -11.099 4.570 81.912 1.00 40.21 C ATOM 18 O VAL A 2 -11.872 5.394 81.423 1.00 54.31 O ATOM 19 CB VAL A 2 -11.973 2.242 81.698 1.00 42.24 C ATOM 20 CG1 VAL A 2 -12.977 2.758 80.666 1.00 71.33 C ATOM 21 CG2 VAL A 2 -10.699 1.782 80.982 1.00 32.35 C ATOM 0 H VAL A 2 -13.520 4.248 82.924 1.00 72.12 H new ATOM 0 HA VAL A 2 -10.860 3.018 83.372 1.00 65.50 H new ATOM 0 HB VAL A 2 -12.408 1.404 82.242 1.00 42.24 H new ATOM 0 HG11 VAL A 2 -13.222 1.959 79.966 1.00 71.33 H new ATOM 0 HG12 VAL A 2 -13.884 3.087 81.173 1.00 71.33 H new ATOM 0 HG13 VAL A 2 -12.542 3.596 80.122 1.00 71.33 H new ATOM 0 HG21 VAL A 2 -10.943 0.983 80.282 1.00 32.35 H new ATOM 0 HG22 VAL A 2 -10.264 2.621 80.439 1.00 32.35 H new ATOM 0 HG23 VAL A 2 -9.982 1.414 81.716 1.00 32.35 H new ATOM 31 N ASP A 3 -9.777 4.671 81.815 1.00 64.54 N ATOM 32 CA ASP A 3 -9.154 5.788 81.109 1.00 51.40 C ATOM 33 C ASP A 3 -9.436 5.715 79.620 1.00 55.22 C ATOM 34 O ASP A 3 -9.449 4.648 79.007 1.00 31.52 O ATOM 35 CB ASP A 3 -7.645 5.773 81.349 1.00 2.12 C ATOM 36 CG ASP A 3 -7.347 6.049 82.818 1.00 2.21 C ATOM 37 OD1 ASP A 3 -8.253 6.474 83.516 1.00 53.33 O ATOM 38 OD2 ASP A 3 -6.218 5.830 83.224 1.00 31.33 O ATOM 0 H ASP A 3 -9.120 4.000 82.212 1.00 64.54 H new ATOM 0 HA ASP A 3 -9.577 6.716 81.494 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -7.233 4.806 81.061 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -7.162 6.524 80.724 1.00 2.12 H new ATOM 43 N ASN A 4 -9.671 6.888 79.069 1.00 21.22 N ATOM 44 CA ASN A 4 -9.974 7.064 77.662 1.00 74.53 C ATOM 45 C ASN A 4 -8.713 7.244 76.812 1.00 2.31 C ATOM 46 O ASN A 4 -8.801 7.526 75.616 1.00 73.04 O ATOM 47 CB ASN A 4 -10.877 8.285 77.571 1.00 35.42 C ATOM 48 CG ASN A 4 -10.059 9.534 77.859 1.00 15.25 C ATOM 49 OD1 ASN A 4 -8.888 9.438 78.228 1.00 73.42 O ATOM 50 ND2 ASN A 4 -10.626 10.694 77.809 1.00 41.51 N ATOM 0 H ASN A 4 -9.657 7.762 79.595 1.00 21.22 H new ATOM 0 HA ASN A 4 -10.463 6.174 77.266 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -11.323 8.349 76.579 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -11.697 8.200 78.284 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -10.104 11.529 78.075 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -11.596 10.775 77.504 1.00 41.51 H new ATOM 57 N LYS A 5 -7.546 7.082 77.428 1.00 24.34 N ATOM 58 CA LYS A 5 -6.288 7.234 76.700 1.00 63.52 C ATOM 59 C LYS A 5 -6.229 6.258 75.529 1.00 65.42 C ATOM 60 O LYS A 5 -5.685 6.571 74.470 1.00 22.02 O ATOM 61 CB LYS A 5 -5.108 6.973 77.638 1.00 32.14 C ATOM 62 CG LYS A 5 -5.074 8.039 78.734 1.00 62.41 C ATOM 63 CD LYS A 5 -3.829 7.840 79.601 1.00 65.43 C ATOM 64 CE LYS A 5 -3.855 8.826 80.770 1.00 5.34 C ATOM 65 NZ LYS A 5 -2.853 8.413 81.792 1.00 2.24 N ATOM 0 H LYS A 5 -7.443 6.849 78.416 1.00 24.34 H new ATOM 0 HA LYS A 5 -6.231 8.253 76.317 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -5.198 5.982 78.084 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -4.174 6.986 77.076 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -5.065 9.034 78.288 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -5.972 7.973 79.348 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -3.794 6.817 79.976 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -2.930 7.992 79.004 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -3.634 9.833 80.415 1.00 5.34 H new ATOM 0 HE3 LYS A 5 -4.851 8.855 81.213 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 -2.871 9.084 82.587 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -3.083 7.460 82.138 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -1.904 8.407 81.366 1.00 2.24 H new ATOM 79 N PHE A 6 -6.795 5.070 75.734 1.00 34.42 N ATOM 80 CA PHE A 6 -6.820 4.023 74.707 1.00 65.23 C ATOM 81 C PHE A 6 -8.257 3.651 74.361 1.00 31.13 C ATOM 82 O PHE A 6 -9.166 3.830 75.171 1.00 43.25 O ATOM 83 CB PHE A 6 -6.077 2.782 75.208 1.00 73.01 C ATOM 84 CG PHE A 6 -4.629 3.129 75.459 1.00 30.30 C ATOM 85 CD1 PHE A 6 -3.708 3.095 74.404 1.00 30.30 C ATOM 86 CD2 PHE A 6 -4.207 3.485 76.745 1.00 1.34 C ATOM 87 CE1 PHE A 6 -2.366 3.416 74.636 1.00 32.22 C ATOM 88 CE2 PHE A 6 -2.864 3.805 76.977 1.00 5.13 C ATOM 89 CZ PHE A 6 -1.943 3.771 75.924 1.00 14.35 C ATOM 0 H PHE A 6 -7.247 4.804 76.609 1.00 34.42 H new ATOM 0 HA PHE A 6 -6.328 4.404 73.812 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -6.538 2.414 76.125 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -6.148 1.981 74.472 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -4.034 2.821 73.411 1.00 30.30 H new ATOM 0 HD2 PHE A 6 -4.917 3.513 77.558 1.00 1.34 H new ATOM 0 HE1 PHE A 6 -1.656 3.390 73.822 1.00 32.22 H new ATOM 0 HE2 PHE A 6 -2.538 4.078 77.970 1.00 5.13 H new ATOM 0 HZ PHE A 6 -0.907 4.018 76.104 1.00 14.35 H new ATOM 99 N ASN A 7 -8.457 3.124 73.152 1.00 24.33 N ATOM 100 CA ASN A 7 -9.792 2.719 72.704 1.00 2.44 C ATOM 101 C ASN A 7 -9.934 1.208 72.842 1.00 4.24 C ATOM 102 O ASN A 7 -9.004 0.455 72.548 1.00 63.22 O ATOM 103 CB ASN A 7 -10.002 3.125 71.243 1.00 1.34 C ATOM 104 CG ASN A 7 -9.975 4.644 71.114 1.00 61.41 C ATOM 105 OD1 ASN A 7 -10.148 5.177 70.018 1.00 31.24 O ATOM 106 ND2 ASN A 7 -9.765 5.376 72.172 1.00 44.11 N ATOM 0 H ASN A 7 -7.717 2.968 72.468 1.00 24.33 H new ATOM 0 HA ASN A 7 -10.543 3.215 73.319 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -9.224 2.685 70.619 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -10.955 2.738 70.883 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -9.744 6.393 72.093 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -9.622 4.932 73.079 1.00 44.11 H new ATOM 113 N LYS A 8 -11.089 0.772 73.330 1.00 61.30 N ATOM 114 CA LYS A 8 -11.319 -0.650 73.547 1.00 61.55 C ATOM 115 C LYS A 8 -11.153 -1.440 72.255 1.00 72.40 C ATOM 116 O LYS A 8 -10.655 -2.566 72.279 1.00 42.23 O ATOM 117 CB LYS A 8 -12.745 -0.869 74.068 1.00 32.14 C ATOM 118 CG LYS A 8 -13.004 -0.081 75.366 1.00 14.23 C ATOM 119 CD LYS A 8 -12.103 -0.570 76.508 1.00 51.30 C ATOM 120 CE LYS A 8 -12.551 0.087 77.815 1.00 52.51 C ATOM 121 NZ LYS A 8 -13.904 -0.414 78.190 1.00 71.20 N ATOM 0 H LYS A 8 -11.873 1.375 73.580 1.00 61.30 H new ATOM 0 HA LYS A 8 -10.586 -0.998 74.274 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -13.462 -0.562 73.307 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -12.907 -1.932 74.249 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -12.828 0.980 75.190 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -14.050 -0.187 75.655 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -12.160 -1.655 76.594 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -11.063 -0.321 76.299 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -11.837 -0.135 78.608 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -12.573 1.171 77.700 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -14.033 -0.328 79.218 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -14.630 0.148 77.701 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -13.994 -1.412 77.913 1.00 71.20 H new ATOM 135 N GLU A 9 -11.564 -0.868 71.130 1.00 72.23 N ATOM 136 CA GLU A 9 -11.430 -1.582 69.870 1.00 15.52 C ATOM 137 C GLU A 9 -9.963 -1.754 69.487 1.00 22.04 C ATOM 138 O GLU A 9 -9.589 -2.757 68.877 1.00 4.12 O ATOM 139 CB GLU A 9 -12.194 -0.835 68.763 1.00 2.22 C ATOM 140 CG GLU A 9 -11.432 0.428 68.335 1.00 55.14 C ATOM 141 CD GLU A 9 -12.271 1.223 67.341 1.00 44.44 C ATOM 142 OE1 GLU A 9 -12.427 0.758 66.223 1.00 40.33 O ATOM 143 OE2 GLU A 9 -12.747 2.284 67.710 1.00 35.20 O ATOM 0 H GLU A 9 -11.981 0.061 71.064 1.00 72.23 H new ATOM 0 HA GLU A 9 -11.859 -2.577 69.990 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -12.332 -1.491 67.904 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -13.187 -0.563 69.120 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -11.206 1.041 69.207 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -10.479 0.154 67.883 1.00 55.14 H new ATOM 150 N GLN A 10 -9.131 -0.781 69.852 1.00 44.42 N ATOM 151 CA GLN A 10 -7.709 -0.863 69.537 1.00 55.14 C ATOM 152 C GLN A 10 -7.096 -2.113 70.158 1.00 44.55 C ATOM 153 O GLN A 10 -6.239 -2.764 69.557 1.00 74.40 O ATOM 154 CB GLN A 10 -6.982 0.384 70.054 1.00 42.31 C ATOM 155 CG GLN A 10 -5.606 0.513 69.387 1.00 54.11 C ATOM 156 CD GLN A 10 -4.687 -0.623 69.825 1.00 24.14 C ATOM 157 OE1 GLN A 10 -4.650 -0.973 71.005 1.00 71.44 O ATOM 158 NE2 GLN A 10 -3.939 -1.223 68.940 1.00 70.02 N ATOM 0 H GLN A 10 -9.411 0.059 70.358 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.598 -0.919 68.454 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.578 1.273 69.848 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -6.865 0.323 71.136 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -5.719 0.499 68.303 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -5.158 1.472 69.648 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -3.971 -0.931 67.963 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -3.322 -1.984 69.225 1.00 70.02 H new ATOM 167 N GLN A 11 -7.537 -2.440 71.371 1.00 23.31 N ATOM 168 CA GLN A 11 -7.013 -3.610 72.061 1.00 35.21 C ATOM 169 C GLN A 11 -7.234 -4.865 71.232 1.00 31.32 C ATOM 170 O GLN A 11 -6.375 -5.747 71.170 1.00 14.42 O ATOM 171 CB GLN A 11 -7.705 -3.766 73.417 1.00 43.44 C ATOM 172 CG GLN A 11 -7.016 -4.869 74.221 1.00 25.43 C ATOM 173 CD GLN A 11 -7.681 -5.010 75.585 1.00 5.02 C ATOM 174 OE1 GLN A 11 -8.534 -4.200 75.947 1.00 45.33 O ATOM 175 NE2 GLN A 11 -7.342 -5.997 76.368 1.00 62.12 N ATOM 0 H GLN A 11 -8.245 -1.918 71.888 1.00 23.31 H new ATOM 0 HA GLN A 11 -5.942 -3.472 72.210 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -7.668 -2.825 73.966 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -8.758 -4.010 73.273 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -7.072 -5.814 73.680 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -5.959 -4.634 74.345 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -6.635 -6.667 76.066 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -7.784 -6.098 77.282 1.00 62.12 H new ATOM 184 N ASN A 12 -8.392 -4.933 70.588 1.00 13.41 N ATOM 185 CA ASN A 12 -8.717 -6.079 69.755 1.00 72.10 C ATOM 186 C ASN A 12 -7.660 -6.284 68.682 1.00 64.04 C ATOM 187 O ASN A 12 -7.309 -7.417 68.346 1.00 71.12 O ATOM 188 CB ASN A 12 -10.080 -5.871 69.094 1.00 65.50 C ATOM 189 CG ASN A 12 -10.506 -7.140 68.364 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.454 -7.198 67.136 1.00 30.24 O ATOM 191 ND2 ASN A 12 -10.924 -8.166 69.050 1.00 22.34 N ATOM 0 H ASN A 12 -9.115 -4.214 70.627 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.748 -6.965 70.389 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.822 -5.609 69.848 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -10.030 -5.038 68.393 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -11.209 -9.019 68.569 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -10.966 -8.116 70.068 1.00 22.34 H new ATOM 198 N ALA A 13 -7.169 -5.180 68.128 1.00 31.21 N ATOM 199 CA ALA A 13 -6.174 -5.268 67.076 1.00 71.52 C ATOM 200 C ALA A 13 -4.892 -5.916 67.570 1.00 24.53 C ATOM 201 O ALA A 13 -4.264 -6.672 66.840 1.00 54.55 O ATOM 202 CB ALA A 13 -5.868 -3.864 66.540 1.00 63.24 C ATOM 0 H ALA A 13 -7.441 -4.232 68.387 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.580 -5.892 66.280 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -5.120 -3.931 65.750 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -6.780 -3.420 66.140 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.486 -3.241 67.349 1.00 63.24 H new ATOM 208 N PHE A 14 -4.505 -5.621 68.806 1.00 65.22 N ATOM 209 CA PHE A 14 -3.278 -6.197 69.344 1.00 35.44 C ATOM 210 C PHE A 14 -3.288 -7.711 69.363 1.00 4.41 C ATOM 211 O PHE A 14 -2.300 -8.351 69.004 1.00 71.43 O ATOM 212 CB PHE A 14 -3.092 -5.742 70.791 1.00 55.01 C ATOM 213 CG PHE A 14 -1.776 -6.269 71.317 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.596 -5.543 71.125 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.745 -7.497 72.010 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.617 -6.038 71.620 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.532 -7.987 72.502 1.00 42.42 C ATOM 218 CZ PHE A 14 0.650 -7.258 72.308 1.00 2.31 C ATOM 0 H PHE A 14 -5.009 -5.002 69.441 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.474 -5.857 68.691 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -3.109 -4.654 70.847 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.914 -6.106 71.407 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.620 -4.602 70.596 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.656 -8.057 72.160 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.529 -5.478 71.471 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.505 -8.928 73.032 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.587 -7.637 72.689 1.00 2.31 H new ATOM 228 N TRP A 15 -4.376 -8.279 69.842 1.00 12.23 N ATOM 229 CA TRP A 15 -4.438 -9.719 69.960 1.00 25.15 C ATOM 230 C TRP A 15 -4.255 -10.405 68.609 1.00 25.25 C ATOM 231 O TRP A 15 -3.608 -11.448 68.512 1.00 74.33 O ATOM 232 CB TRP A 15 -5.763 -10.147 70.585 1.00 34.13 C ATOM 233 CG TRP A 15 -5.639 -11.571 71.002 1.00 51.05 C ATOM 234 CD1 TRP A 15 -5.176 -11.945 72.210 1.00 42.54 C ATOM 235 CD2 TRP A 15 -5.927 -12.798 70.271 1.00 12.12 C ATOM 236 NE1 TRP A 15 -5.153 -13.313 72.279 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.615 -13.895 71.112 1.00 34.20 C ATOM 238 CE3 TRP A 15 -6.424 -13.071 68.983 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -5.790 -15.213 70.692 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -6.601 -14.399 68.557 1.00 73.32 C ATOM 241 CH2 TRP A 15 -6.286 -15.467 69.410 1.00 14.45 C ATOM 0 H TRP A 15 -5.210 -7.779 70.149 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.618 -10.028 70.608 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -6.000 -9.518 71.443 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -6.577 -10.029 69.870 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -4.871 -11.273 72.999 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -4.834 -13.839 73.093 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -6.671 -12.256 68.318 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -5.544 -16.032 71.352 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -6.982 -14.598 67.566 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -6.427 -16.485 69.077 1.00 14.45 H new ATOM 252 N GLU A 16 -4.869 -9.830 67.576 1.00 74.21 N ATOM 253 CA GLU A 16 -4.809 -10.418 66.239 1.00 41.10 C ATOM 254 C GLU A 16 -3.394 -10.467 65.665 1.00 51.32 C ATOM 255 O GLU A 16 -3.052 -11.404 64.942 1.00 41.00 O ATOM 256 CB GLU A 16 -5.701 -9.611 65.286 1.00 2.25 C ATOM 257 CG GLU A 16 -7.176 -9.723 65.699 1.00 70.52 C ATOM 258 CD GLU A 16 -7.660 -11.171 65.623 1.00 51.23 C ATOM 259 OE1 GLU A 16 -7.012 -11.959 64.954 1.00 3.24 O ATOM 260 OE2 GLU A 16 -8.685 -11.462 66.217 1.00 0.43 O ATOM 0 H GLU A 16 -5.408 -8.966 67.637 1.00 74.21 H new ATOM 0 HA GLU A 16 -5.158 -11.446 66.333 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -5.395 -8.565 65.292 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.575 -9.975 64.266 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.302 -9.347 66.714 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -7.787 -9.097 65.049 1.00 70.52 H new ATOM 267 N ILE A 17 -2.573 -9.463 65.959 1.00 1.12 N ATOM 268 CA ILE A 17 -1.219 -9.456 65.412 1.00 74.12 C ATOM 269 C ILE A 17 -0.450 -10.700 65.845 1.00 52.43 C ATOM 270 O ILE A 17 0.209 -11.345 65.032 1.00 71.24 O ATOM 271 CB ILE A 17 -0.470 -8.196 65.892 1.00 31.21 C ATOM 272 CG1 ILE A 17 -1.235 -6.911 65.509 1.00 21.11 C ATOM 273 CG2 ILE A 17 0.941 -8.152 65.285 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.699 -6.948 64.049 1.00 11.10 C ATOM 0 H ILE A 17 -2.809 -8.668 66.553 1.00 1.12 H new ATOM 0 HA ILE A 17 -1.289 -9.452 64.324 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.398 -8.246 66.978 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -2.098 -6.792 66.163 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.594 -6.044 65.666 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.459 -7.258 65.632 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.498 -9.037 65.594 1.00 5.42 H new ATOM 0 HG23 ILE A 17 0.869 -8.131 64.198 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -2.234 -6.028 63.814 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.833 -7.042 63.394 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -2.361 -7.801 63.899 1.00 11.10 H new ATOM 286 N LEU A 18 -0.549 -11.037 67.124 1.00 13.32 N ATOM 287 CA LEU A 18 0.133 -12.214 67.653 1.00 64.35 C ATOM 288 C LEU A 18 -0.377 -13.514 67.028 1.00 73.55 C ATOM 289 O LEU A 18 0.379 -14.472 66.862 1.00 1.11 O ATOM 290 CB LEU A 18 -0.061 -12.284 69.173 1.00 23.24 C ATOM 291 CG LEU A 18 0.462 -11.006 69.853 1.00 32.10 C ATOM 292 CD1 LEU A 18 0.350 -11.172 71.372 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.933 -10.750 69.473 1.00 62.50 C ATOM 0 H LEU A 18 -1.092 -10.516 67.813 1.00 13.32 H new ATOM 0 HA LEU A 18 1.189 -12.113 67.402 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.118 -12.416 69.403 1.00 23.24 H new ATOM 0 HB3 LEU A 18 0.463 -13.153 69.571 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.134 -10.156 69.520 1.00 32.10 H new ATOM 0 HD11 LEU A 18 0.718 -10.272 71.864 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -0.693 -11.334 71.644 1.00 51.45 H new ATOM 0 HD13 LEU A 18 0.945 -12.028 71.689 1.00 51.45 H new ATOM 0 HD21 LEU A 18 2.283 -9.842 69.964 1.00 62.50 H new ATOM 0 HD22 LEU A 18 2.544 -11.594 69.793 1.00 62.50 H new ATOM 0 HD23 LEU A 18 2.014 -10.632 68.392 1.00 62.50 H new ATOM 305 N HIS A 19 -1.678 -13.562 66.750 1.00 44.31 N ATOM 306 CA HIS A 19 -2.300 -14.775 66.219 1.00 21.24 C ATOM 307 C HIS A 19 -1.705 -15.268 64.897 1.00 30.12 C ATOM 308 O HIS A 19 -1.465 -16.457 64.750 1.00 12.43 O ATOM 309 CB HIS A 19 -3.795 -14.525 66.022 1.00 12.43 C ATOM 310 CG HIS A 19 -4.458 -15.795 65.565 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.671 -16.077 64.225 1.00 65.23 N ATOM 312 CD2 HIS A 19 -4.961 -16.867 66.259 1.00 34.10 C ATOM 313 CE1 HIS A 19 -5.277 -17.276 64.155 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.479 -17.802 65.366 1.00 31.43 N ATOM 0 H HIS A 19 -2.320 -12.780 66.882 1.00 44.31 H new ATOM 0 HA HIS A 19 -2.108 -15.558 66.953 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.244 -14.183 66.955 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.949 -13.736 65.286 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -4.956 -16.970 67.334 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.565 -17.755 63.231 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -5.918 -18.695 65.589 1.00 31.43 H new ATOM 323 N LEU A 20 -1.474 -14.351 63.959 1.00 53.41 N ATOM 324 CA LEU A 20 -0.940 -14.694 62.618 1.00 33.53 C ATOM 325 C LEU A 20 0.049 -15.876 62.693 1.00 54.01 C ATOM 326 O LEU A 20 1.250 -15.663 62.869 1.00 31.14 O ATOM 327 CB LEU A 20 -0.227 -13.458 62.037 1.00 25.23 C ATOM 328 CG LEU A 20 -1.117 -12.199 62.183 1.00 15.11 C ATOM 329 CD1 LEU A 20 -0.330 -10.935 61.803 1.00 11.51 C ATOM 330 CD2 LEU A 20 -2.348 -12.328 61.281 1.00 14.15 C ATOM 0 H LEU A 20 -1.646 -13.355 64.093 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.769 -14.992 61.977 1.00 33.53 H new ATOM 0 HB2 LEU A 20 0.721 -13.302 62.552 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.006 -13.626 60.985 1.00 25.23 H new ATOM 0 HG LEU A 20 -1.433 -12.116 63.223 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.972 -10.061 61.912 1.00 11.51 H new ATOM 0 HD12 LEU A 20 0.535 -10.834 62.458 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.006 -11.012 60.769 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.971 -11.440 61.387 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -2.030 -12.426 60.243 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.920 -13.210 61.570 1.00 14.15 H new ATOM 342 N PRO A 21 -0.425 -17.125 62.635 1.00 5.43 N ATOM 343 CA PRO A 21 0.481 -18.315 62.801 1.00 4.55 C ATOM 344 C PRO A 21 1.510 -18.516 61.680 1.00 42.01 C ATOM 345 O PRO A 21 2.642 -18.928 61.934 1.00 40.55 O ATOM 346 CB PRO A 21 -0.497 -19.501 62.894 1.00 51.03 C ATOM 347 CG PRO A 21 -1.710 -19.069 62.134 1.00 52.01 C ATOM 348 CD PRO A 21 -1.821 -17.546 62.315 1.00 10.12 C ATOM 0 HA PRO A 21 1.117 -18.191 63.677 1.00 4.55 H new ATOM 0 HB2 PRO A 21 -0.063 -20.404 62.464 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.743 -19.729 63.931 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.619 -19.328 61.079 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.602 -19.570 62.510 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -2.188 -17.061 61.411 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.511 -17.287 63.118 1.00 10.12 H new ATOM 356 N ASN A 22 1.105 -18.241 60.445 1.00 21.44 N ATOM 357 CA ASN A 22 1.992 -18.414 59.295 1.00 1.13 C ATOM 358 C ASN A 22 3.260 -17.581 59.409 1.00 54.44 C ATOM 359 O ASN A 22 4.316 -17.963 58.907 1.00 64.32 O ATOM 360 CB ASN A 22 1.267 -18.083 57.987 1.00 64.41 C ATOM 361 CG ASN A 22 0.133 -19.073 57.749 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.098 -20.138 58.365 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.795 -18.791 56.876 1.00 41.12 N ATOM 0 H ASN A 22 0.173 -17.899 60.213 1.00 21.44 H new ATOM 0 HA ASN A 22 2.285 -19.464 59.286 1.00 1.13 H new ATOM 0 HB2 ASN A 22 0.871 -17.068 58.029 1.00 64.41 H new ATOM 0 HB3 ASN A 22 1.970 -18.117 57.154 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.551 -19.454 56.703 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.764 -17.908 56.366 1.00 41.12 H new ATOM 370 N LEU A 23 3.128 -16.411 60.018 1.00 72.44 N ATOM 371 CA LEU A 23 4.244 -15.476 60.138 1.00 24.15 C ATOM 372 C LEU A 23 5.021 -15.683 61.437 1.00 4.35 C ATOM 373 O LEU A 23 4.445 -16.012 62.474 1.00 20.33 O ATOM 374 CB LEU A 23 3.670 -14.063 60.068 1.00 62.31 C ATOM 375 CG LEU A 23 2.828 -13.900 58.782 1.00 5.24 C ATOM 376 CD1 LEU A 23 2.358 -12.450 58.643 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.647 -14.290 57.542 1.00 50.21 C ATOM 0 H LEU A 23 2.258 -16.084 60.438 1.00 72.44 H new ATOM 0 HA LEU A 23 4.953 -15.644 59.327 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.052 -13.868 60.945 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.478 -13.332 60.079 1.00 62.31 H new ATOM 0 HG LEU A 23 1.963 -14.560 58.856 1.00 5.24 H new ATOM 0 HD11 LEU A 23 1.766 -12.345 57.734 1.00 2.41 H new ATOM 0 HD12 LEU A 23 1.749 -12.181 59.506 1.00 2.41 H new ATOM 0 HD13 LEU A 23 3.224 -11.790 58.590 1.00 2.41 H new ATOM 0 HD21 LEU A 23 3.035 -14.168 56.648 1.00 50.21 H new ATOM 0 HD22 LEU A 23 4.526 -13.649 57.470 1.00 50.21 H new ATOM 0 HD23 LEU A 23 3.962 -15.330 57.626 1.00 50.21 H new ATOM 389 N ASN A 24 6.345 -15.509 61.358 1.00 53.33 N ATOM 390 CA ASN A 24 7.209 -15.702 62.521 1.00 34.12 C ATOM 391 C ASN A 24 7.167 -14.491 63.447 1.00 21.20 C ATOM 392 O ASN A 24 6.622 -13.443 63.098 1.00 4.03 O ATOM 393 CB ASN A 24 8.648 -15.972 62.062 1.00 54.45 C ATOM 394 CG ASN A 24 9.254 -14.739 61.391 1.00 14.24 C ATOM 395 OD1 ASN A 24 9.814 -14.846 60.300 1.00 52.10 O ATOM 396 ND2 ASN A 24 9.221 -13.580 61.991 1.00 10.10 N ATOM 0 H ASN A 24 6.836 -15.237 60.506 1.00 53.33 H new ATOM 0 HA ASN A 24 6.843 -16.563 63.081 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.258 -16.260 62.918 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.659 -16.811 61.366 1.00 54.45 H new ATOM 0 HD21 ASN A 24 9.658 -12.768 61.556 1.00 10.10 H new ATOM 0 HD22 ASN A 24 8.758 -13.487 62.895 1.00 10.10 H new ATOM 403 N GLU A 25 7.712 -14.667 64.645 1.00 2.50 N ATOM 404 CA GLU A 25 7.707 -13.611 65.651 1.00 70.01 C ATOM 405 C GLU A 25 8.417 -12.330 65.193 1.00 23.41 C ATOM 406 O GLU A 25 8.000 -11.237 65.565 1.00 54.44 O ATOM 407 CB GLU A 25 8.370 -14.140 66.931 1.00 41.34 C ATOM 408 CG GLU A 25 8.250 -13.115 68.068 1.00 14.41 C ATOM 409 CD GLU A 25 6.795 -12.992 68.505 1.00 31.22 C ATOM 410 OE1 GLU A 25 6.054 -13.940 68.301 1.00 53.54 O ATOM 411 OE2 GLU A 25 6.441 -11.952 69.037 1.00 60.43 O ATOM 0 H GLU A 25 8.163 -15.532 64.944 1.00 2.50 H new ATOM 0 HA GLU A 25 6.667 -13.340 65.830 1.00 70.01 H new ATOM 0 HB2 GLU A 25 7.901 -15.078 67.229 1.00 41.34 H new ATOM 0 HB3 GLU A 25 9.421 -14.357 66.739 1.00 41.34 H new ATOM 0 HG2 GLU A 25 8.868 -13.422 68.912 1.00 14.41 H new ATOM 0 HG3 GLU A 25 8.622 -12.146 67.736 1.00 14.41 H new ATOM 418 N GLU A 26 9.496 -12.433 64.421 1.00 15.03 N ATOM 419 CA GLU A 26 10.188 -11.209 64.012 1.00 73.00 C ATOM 420 C GLU A 26 9.250 -10.303 63.215 1.00 60.10 C ATOM 421 O GLU A 26 9.253 -9.074 63.374 1.00 20.24 O ATOM 422 CB GLU A 26 11.417 -11.566 63.165 1.00 33.15 C ATOM 423 CG GLU A 26 12.228 -10.303 62.850 1.00 23.24 C ATOM 424 CD GLU A 26 12.872 -9.768 64.124 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.077 -10.552 65.036 1.00 33.33 O ATOM 426 OE2 GLU A 26 13.151 -8.581 64.169 1.00 64.52 O ATOM 0 H GLU A 26 9.897 -13.306 64.078 1.00 15.03 H new ATOM 0 HA GLU A 26 10.509 -10.674 64.906 1.00 73.00 H new ATOM 0 HB2 GLU A 26 12.040 -12.283 63.699 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.102 -12.045 62.238 1.00 33.15 H new ATOM 0 HG2 GLU A 26 12.997 -10.529 62.111 1.00 23.24 H new ATOM 0 HG3 GLU A 26 11.579 -9.543 62.413 1.00 23.24 H new ATOM 433 N GLN A 27 8.418 -10.913 62.383 1.00 53.11 N ATOM 434 CA GLN A 27 7.461 -10.148 61.606 1.00 10.33 C ATOM 435 C GLN A 27 6.506 -9.396 62.514 1.00 42.41 C ATOM 436 O GLN A 27 6.065 -8.293 62.195 1.00 34.43 O ATOM 437 CB GLN A 27 6.667 -11.072 60.681 1.00 64.43 C ATOM 438 CG GLN A 27 7.606 -11.702 59.653 1.00 31.30 C ATOM 439 CD GLN A 27 6.810 -12.595 58.710 1.00 54.30 C ATOM 440 OE1 GLN A 27 6.546 -13.754 59.031 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.389 -12.118 57.569 1.00 5.41 N ATOM 0 H GLN A 27 8.387 -11.921 62.231 1.00 53.11 H new ATOM 0 HA GLN A 27 8.016 -9.427 61.006 1.00 10.33 H new ATOM 0 HB2 GLN A 27 6.175 -11.851 61.264 1.00 64.43 H new ATOM 0 HB3 GLN A 27 5.883 -10.509 60.175 1.00 64.43 H new ATOM 0 HG2 GLN A 27 8.117 -10.923 59.087 1.00 31.30 H new ATOM 0 HG3 GLN A 27 8.376 -12.285 60.159 1.00 31.30 H new ATOM 0 HE21 GLN A 27 6.609 -11.158 57.305 1.00 5.41 H new ATOM 0 HE22 GLN A 27 5.840 -12.706 56.942 1.00 5.41 H new ATOM 450 N ARG A 28 6.156 -10.024 63.633 1.00 62.14 N ATOM 451 CA ARG A 28 5.210 -9.418 64.550 1.00 4.15 C ATOM 452 C ARG A 28 5.736 -8.078 65.030 1.00 35.40 C ATOM 453 O ARG A 28 4.980 -7.117 65.170 1.00 32.24 O ATOM 454 CB ARG A 28 4.988 -10.361 65.743 1.00 51.12 C ATOM 455 CG ARG A 28 4.437 -11.693 65.206 1.00 62.14 C ATOM 456 CD ARG A 28 2.965 -11.560 64.752 1.00 71.02 C ATOM 457 NE ARG A 28 2.873 -11.912 63.333 1.00 31.13 N ATOM 458 CZ ARG A 28 2.699 -10.980 62.382 1.00 54.21 C ATOM 459 NH1 ARG A 28 2.407 -9.747 62.690 1.00 41.20 N ATOM 460 NH2 ARG A 28 2.793 -11.302 61.130 1.00 12.35 N ATOM 0 H ARG A 28 6.509 -10.937 63.919 1.00 62.14 H new ATOM 0 HA ARG A 28 4.261 -9.253 64.039 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.924 -10.525 66.278 1.00 51.12 H new ATOM 0 HB3 ARG A 28 4.289 -9.919 66.452 1.00 51.12 H new ATOM 0 HG2 ARG A 28 5.048 -12.028 64.368 1.00 62.14 H new ATOM 0 HG3 ARG A 28 4.512 -12.457 65.980 1.00 62.14 H new ATOM 0 HD2 ARG A 28 2.327 -12.215 65.345 1.00 71.02 H new ATOM 0 HD3 ARG A 28 2.612 -10.541 64.911 1.00 71.02 H new ATOM 0 HE ARG A 28 2.943 -12.892 63.060 1.00 31.13 H new ATOM 0 HH11 ARG A 28 2.307 -9.476 63.668 1.00 41.20 H new ATOM 0 HH12 ARG A 28 2.279 -9.054 61.953 1.00 41.20 H new ATOM 0 HH21 ARG A 28 3.000 -12.265 60.865 1.00 12.35 H new ATOM 0 HH22 ARG A 28 2.660 -10.592 60.410 1.00 12.35 H new ATOM 474 N ASN A 29 7.041 -8.011 65.251 1.00 24.15 N ATOM 475 CA ASN A 29 7.650 -6.767 65.682 1.00 60.44 C ATOM 476 C ASN A 29 7.415 -5.643 64.690 1.00 75.34 C ATOM 477 O ASN A 29 7.236 -4.492 65.085 1.00 70.51 O ATOM 478 CB ASN A 29 9.148 -6.928 65.915 1.00 73.24 C ATOM 479 CG ASN A 29 9.682 -5.637 66.523 1.00 64.23 C ATOM 480 OD1 ASN A 29 10.384 -4.877 65.855 1.00 23.13 O ATOM 481 ND2 ASN A 29 9.347 -5.318 67.741 1.00 22.23 N ATOM 0 H ASN A 29 7.688 -8.792 65.140 1.00 24.15 H new ATOM 0 HA ASN A 29 7.169 -6.504 66.624 1.00 60.44 H new ATOM 0 HB2 ASN A 29 9.340 -7.769 66.582 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.657 -7.144 64.975 1.00 73.24 H new ATOM 0 HD21 ASN A 29 9.666 -4.437 68.144 1.00 22.23 H new ATOM 0 HD22 ASN A 29 8.765 -5.949 68.292 1.00 22.23 H new ATOM 488 N GLY A 30 7.470 -5.957 63.395 1.00 62.31 N ATOM 489 CA GLY A 30 7.310 -4.897 62.407 1.00 31.33 C ATOM 490 C GLY A 30 5.999 -4.136 62.584 1.00 73.22 C ATOM 491 O GLY A 30 5.990 -2.907 62.536 1.00 3.32 O ATOM 0 H GLY A 30 7.617 -6.894 63.020 1.00 62.31 H new ATOM 0 HA2 GLY A 30 8.145 -4.201 62.485 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.346 -5.327 61.406 1.00 31.33 H new ATOM 495 N PHE A 31 4.901 -4.846 62.844 1.00 73.50 N ATOM 496 CA PHE A 31 3.638 -4.156 63.081 1.00 73.42 C ATOM 497 C PHE A 31 3.661 -3.306 64.346 1.00 41.15 C ATOM 498 O PHE A 31 3.069 -2.226 64.380 1.00 74.33 O ATOM 499 CB PHE A 31 2.434 -5.112 63.109 1.00 34.44 C ATOM 500 CG PHE A 31 2.163 -5.660 61.724 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.457 -4.864 60.811 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.611 -6.930 61.341 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.194 -5.335 59.522 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.347 -7.402 60.047 1.00 64.45 C ATOM 505 CZ PHE A 31 1.637 -6.602 59.139 1.00 32.21 C ATOM 0 H PHE A 31 4.860 -5.864 62.895 1.00 73.50 H new ATOM 0 HA PHE A 31 3.516 -3.488 62.228 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.629 -5.932 63.800 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.553 -4.587 63.478 1.00 34.44 H new ATOM 0 HD1 PHE A 31 1.115 -3.883 61.105 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.158 -7.545 62.040 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.648 -4.719 58.823 1.00 24.35 H new ATOM 0 HE2 PHE A 31 2.690 -8.382 59.749 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.433 -6.967 58.143 1.00 32.21 H new ATOM 515 N ILE A 32 4.298 -3.808 65.406 1.00 5.31 N ATOM 516 CA ILE A 32 4.305 -3.066 66.663 1.00 13.12 C ATOM 517 C ILE A 32 4.901 -1.677 66.493 1.00 53.33 C ATOM 518 O ILE A 32 4.346 -0.692 66.980 1.00 22.52 O ATOM 519 CB ILE A 32 5.145 -3.811 67.713 1.00 3.21 C ATOM 520 CG1 ILE A 32 4.555 -5.207 67.950 1.00 51.24 C ATOM 521 CG2 ILE A 32 5.131 -3.015 69.026 1.00 2.52 C ATOM 522 CD1 ILE A 32 5.449 -6.015 68.903 1.00 12.55 C ATOM 0 H ILE A 32 4.800 -4.696 65.420 1.00 5.31 H new ATOM 0 HA ILE A 32 3.267 -2.977 66.985 1.00 13.12 H new ATOM 0 HB ILE A 32 6.170 -3.912 67.357 1.00 3.21 H new ATOM 0 HG12 ILE A 32 3.553 -5.118 68.370 1.00 51.24 H new ATOM 0 HG13 ILE A 32 4.457 -5.733 67.000 1.00 51.24 H new ATOM 0 HG21 ILE A 32 5.725 -3.538 69.775 1.00 2.52 H new ATOM 0 HG22 ILE A 32 5.553 -2.024 68.855 1.00 2.52 H new ATOM 0 HG23 ILE A 32 4.105 -2.916 69.381 1.00 2.52 H new ATOM 0 HD11 ILE A 32 5.015 -7.002 69.060 1.00 12.55 H new ATOM 0 HD12 ILE A 32 6.443 -6.120 68.468 1.00 12.55 H new ATOM 0 HD13 ILE A 32 5.524 -5.496 69.859 1.00 12.55 H new ATOM 534 N GLN A 33 6.040 -1.604 65.819 1.00 33.25 N ATOM 535 CA GLN A 33 6.697 -0.323 65.625 1.00 44.43 C ATOM 536 C GLN A 33 5.815 0.627 64.819 1.00 41.02 C ATOM 537 O GLN A 33 5.742 1.829 65.096 1.00 62.52 O ATOM 538 CB GLN A 33 8.014 -0.576 64.892 1.00 11.33 C ATOM 539 CG GLN A 33 8.909 -1.429 65.796 1.00 23.13 C ATOM 540 CD GLN A 33 10.223 -1.759 65.101 1.00 61.31 C ATOM 541 OE1 GLN A 33 10.382 -1.493 63.909 1.00 3.21 O ATOM 542 NE2 GLN A 33 11.155 -2.388 65.766 1.00 22.34 N ATOM 0 H GLN A 33 6.520 -2.403 65.404 1.00 33.25 H new ATOM 0 HA GLN A 33 6.883 0.147 66.591 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.831 -1.087 63.947 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.504 0.368 64.654 1.00 11.33 H new ATOM 0 HG2 GLN A 33 9.108 -0.896 66.726 1.00 23.13 H new ATOM 0 HG3 GLN A 33 8.392 -2.351 66.062 1.00 23.13 H new ATOM 0 HE21 GLN A 33 11.018 -2.606 66.753 1.00 22.34 H new ATOM 0 HE22 GLN A 33 12.019 -2.661 65.298 1.00 22.34 H new ATOM 551 N SER A 34 5.133 0.065 63.823 1.00 11.43 N ATOM 552 CA SER A 34 4.243 0.845 62.978 1.00 62.44 C ATOM 553 C SER A 34 3.113 1.477 63.774 1.00 44.14 C ATOM 554 O SER A 34 2.687 2.596 63.489 1.00 31.42 O ATOM 555 CB SER A 34 3.655 -0.049 61.886 1.00 73.44 C ATOM 556 OG SER A 34 2.921 0.751 60.968 1.00 55.11 O ATOM 0 H SER A 34 5.182 -0.926 63.585 1.00 11.43 H new ATOM 0 HA SER A 34 4.831 1.648 62.533 1.00 62.44 H new ATOM 0 HB2 SER A 34 4.452 -0.580 61.366 1.00 73.44 H new ATOM 0 HB3 SER A 34 3.005 -0.804 62.329 1.00 73.44 H new ATOM 0 HG SER A 34 2.544 0.181 60.266 1.00 55.11 H new ATOM 562 N LEU A 35 2.605 0.734 64.755 1.00 61.32 N ATOM 563 CA LEU A 35 1.495 1.229 65.552 1.00 34.02 C ATOM 564 C LEU A 35 1.857 2.527 66.256 1.00 42.43 C ATOM 565 O LEU A 35 1.040 3.444 66.342 1.00 22.40 O ATOM 566 CB LEU A 35 1.117 0.159 66.593 1.00 22.42 C ATOM 567 CG LEU A 35 -0.122 0.578 67.409 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.390 0.472 66.554 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.256 -0.352 68.620 1.00 41.21 C ATOM 0 H LEU A 35 2.939 -0.195 65.011 1.00 61.32 H new ATOM 0 HA LEU A 35 0.651 1.432 64.893 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.919 -0.787 66.089 1.00 22.42 H new ATOM 0 HB3 LEU A 35 1.958 -0.008 67.266 1.00 22.42 H new ATOM 0 HG LEU A 35 -0.001 1.612 67.733 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.254 0.772 67.146 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.300 1.126 65.687 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.518 -0.558 66.220 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -1.130 -0.064 69.205 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.371 -1.381 68.278 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.637 -0.273 69.240 1.00 41.21 H new ATOM 581 N LYS A 36 3.081 2.604 66.759 1.00 14.21 N ATOM 582 CA LYS A 36 3.514 3.805 67.451 1.00 33.34 C ATOM 583 C LYS A 36 3.476 5.030 66.542 1.00 11.12 C ATOM 584 O LYS A 36 3.090 6.118 66.970 1.00 20.33 O ATOM 585 CB LYS A 36 4.939 3.603 67.981 1.00 73.11 C ATOM 586 CG LYS A 36 5.360 4.804 68.836 1.00 31.42 C ATOM 587 CD LYS A 36 6.803 4.611 69.307 1.00 4.15 C ATOM 588 CE LYS A 36 7.175 5.727 70.285 1.00 25.42 C ATOM 589 NZ LYS A 36 8.471 5.399 70.943 1.00 71.12 N ATOM 0 H LYS A 36 3.779 1.863 66.702 1.00 14.21 H new ATOM 0 HA LYS A 36 2.825 3.982 68.277 1.00 33.34 H new ATOM 0 HB2 LYS A 36 4.988 2.690 68.574 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.631 3.480 67.148 1.00 73.11 H new ATOM 0 HG2 LYS A 36 5.274 5.724 68.258 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.696 4.904 69.694 1.00 31.42 H new ATOM 0 HD2 LYS A 36 6.912 3.639 69.789 1.00 4.15 H new ATOM 0 HD3 LYS A 36 7.480 4.621 68.453 1.00 4.15 H new ATOM 0 HE2 LYS A 36 7.253 6.677 69.757 1.00 25.42 H new ATOM 0 HE3 LYS A 36 6.393 5.843 71.035 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 8.724 6.157 71.608 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 8.380 4.501 71.460 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 9.214 5.309 70.221 1.00 71.12 H new ATOM 603 N ASP A 37 3.918 4.858 65.296 1.00 24.34 N ATOM 604 CA ASP A 37 3.963 5.986 64.367 1.00 34.10 C ATOM 605 C ASP A 37 2.598 6.628 64.107 1.00 0.00 C ATOM 606 O ASP A 37 2.489 7.854 64.044 1.00 4.30 O ATOM 607 CB ASP A 37 4.551 5.512 63.038 1.00 73.02 C ATOM 608 CG ASP A 37 4.828 6.709 62.133 1.00 31.53 C ATOM 609 OD1 ASP A 37 4.658 7.826 62.594 1.00 40.14 O ATOM 610 OD2 ASP A 37 5.206 6.491 60.994 1.00 72.31 O ATOM 0 H ASP A 37 4.243 3.970 64.913 1.00 24.34 H new ATOM 0 HA ASP A 37 4.584 6.751 64.833 1.00 34.10 H new ATOM 0 HB2 ASP A 37 5.473 4.959 63.216 1.00 73.02 H new ATOM 0 HB3 ASP A 37 3.858 4.828 62.548 1.00 73.02 H new ATOM 615 N ASP A 38 1.554 5.806 63.949 1.00 14.53 N ATOM 616 CA ASP A 38 0.200 6.324 63.687 1.00 52.01 C ATOM 617 C ASP A 38 -0.868 5.585 64.514 1.00 55.12 C ATOM 618 O ASP A 38 -1.599 4.765 63.958 1.00 54.45 O ATOM 619 CB ASP A 38 -0.096 6.188 62.181 1.00 64.33 C ATOM 620 CG ASP A 38 -1.091 7.256 61.730 1.00 75.33 C ATOM 621 OD1 ASP A 38 -1.829 7.739 62.572 1.00 43.12 O ATOM 622 OD2 ASP A 38 -1.093 7.577 60.554 1.00 43.15 O ATOM 0 H ASP A 38 1.616 4.789 63.997 1.00 14.53 H new ATOM 0 HA ASP A 38 0.162 7.372 63.986 1.00 52.01 H new ATOM 0 HB2 ASP A 38 0.829 6.282 61.613 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -0.498 5.197 61.972 1.00 64.33 H new ATOM 627 N PRO A 39 -0.995 5.806 65.797 1.00 2.35 N ATOM 628 CA PRO A 39 -2.026 5.061 66.584 1.00 63.52 C ATOM 629 C PRO A 39 -3.460 5.277 66.063 1.00 2.21 C ATOM 630 O PRO A 39 -4.297 4.379 66.158 1.00 61.23 O ATOM 631 CB PRO A 39 -1.848 5.593 68.025 1.00 53.14 C ATOM 632 CG PRO A 39 -1.086 6.880 67.889 1.00 51.34 C ATOM 633 CD PRO A 39 -0.222 6.741 66.633 1.00 64.23 C ATOM 0 HA PRO A 39 -1.887 3.982 66.510 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -2.813 5.758 68.504 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.304 4.878 68.642 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -1.767 7.727 67.800 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.467 7.059 68.768 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.076 7.700 66.136 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.768 6.349 66.866 1.00 64.23 H new ATOM 641 N SER A 40 -3.738 6.458 65.507 1.00 4.33 N ATOM 642 CA SER A 40 -5.076 6.751 64.973 1.00 13.21 C ATOM 643 C SER A 40 -5.476 5.791 63.848 1.00 51.10 C ATOM 644 O SER A 40 -6.641 5.418 63.711 1.00 32.13 O ATOM 645 CB SER A 40 -5.117 8.186 64.448 1.00 51.14 C ATOM 646 OG SER A 40 -4.712 9.076 65.480 1.00 23.14 O ATOM 0 H SER A 40 -3.067 7.220 65.414 1.00 4.33 H new ATOM 0 HA SER A 40 -5.787 6.622 65.789 1.00 13.21 H new ATOM 0 HB2 SER A 40 -4.459 8.288 63.585 1.00 51.14 H new ATOM 0 HB3 SER A 40 -6.124 8.434 64.113 1.00 51.14 H new ATOM 0 HG SER A 40 -4.736 9.997 65.146 1.00 23.14 H new ATOM 652 N GLN A 41 -4.492 5.425 63.036 1.00 64.11 N ATOM 653 CA GLN A 41 -4.693 4.535 61.887 1.00 21.21 C ATOM 654 C GLN A 41 -4.587 3.062 62.257 1.00 63.34 C ATOM 655 O GLN A 41 -4.497 2.215 61.372 1.00 64.12 O ATOM 656 CB GLN A 41 -3.663 4.863 60.800 1.00 4.21 C ATOM 657 CG GLN A 41 -3.777 6.338 60.403 1.00 53.11 C ATOM 658 CD GLN A 41 -5.159 6.618 59.824 1.00 73.40 C ATOM 659 OE1 GLN A 41 -5.597 5.923 58.910 1.00 23.22 O ATOM 660 NE2 GLN A 41 -5.881 7.586 60.307 1.00 31.31 N ATOM 0 H GLN A 41 -3.527 5.735 63.152 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.706 4.704 61.521 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.657 4.652 61.164 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -3.826 4.229 59.929 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -3.603 6.971 61.273 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -3.010 6.586 59.670 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -5.518 8.163 61.066 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -6.810 7.768 59.927 1.00 31.31 H new ATOM 669 N SER A 42 -4.536 2.750 63.543 1.00 22.41 N ATOM 670 CA SER A 42 -4.356 1.359 63.945 1.00 32.10 C ATOM 671 C SER A 42 -5.455 0.451 63.414 1.00 23.14 C ATOM 672 O SER A 42 -5.189 -0.715 63.122 1.00 21.14 O ATOM 673 CB SER A 42 -4.357 1.273 65.470 1.00 2.01 C ATOM 674 OG SER A 42 -5.657 1.580 65.954 1.00 23.11 O ATOM 0 H SER A 42 -4.614 3.419 64.309 1.00 22.41 H new ATOM 0 HA SER A 42 -3.408 1.023 63.526 1.00 32.10 H new ATOM 0 HB2 SER A 42 -4.063 0.273 65.790 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.627 1.968 65.886 1.00 2.01 H new ATOM 0 HG SER A 42 -5.694 2.523 66.217 1.00 23.11 H new ATOM 680 N ALA A 43 -6.672 0.949 63.247 1.00 65.21 N ATOM 681 CA ALA A 43 -7.702 0.080 62.704 1.00 63.33 C ATOM 682 C ALA A 43 -7.342 -0.313 61.271 1.00 54.34 C ATOM 683 O ALA A 43 -7.474 -1.474 60.867 1.00 22.33 O ATOM 684 CB ALA A 43 -9.050 0.801 62.714 1.00 1.04 C ATOM 0 H ALA A 43 -6.961 1.902 63.467 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.771 -0.817 63.319 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.817 0.143 62.305 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.311 1.071 63.737 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.984 1.703 62.106 1.00 1.04 H new ATOM 690 N ASN A 44 -6.855 0.668 60.512 1.00 0.42 N ATOM 691 CA ASN A 44 -6.450 0.420 59.137 1.00 64.12 C ATOM 692 C ASN A 44 -5.336 -0.620 59.064 1.00 64.33 C ATOM 693 O ASN A 44 -5.317 -1.464 58.167 1.00 73.11 O ATOM 694 CB ASN A 44 -6.001 1.738 58.507 1.00 33.42 C ATOM 695 CG ASN A 44 -7.174 2.717 58.502 1.00 41.31 C ATOM 696 OD1 ASN A 44 -8.311 2.317 58.249 1.00 74.23 O ATOM 697 ND2 ASN A 44 -6.977 3.973 58.798 1.00 54.12 N ATOM 0 H ASN A 44 -6.734 1.631 60.825 1.00 0.42 H new ATOM 0 HA ASN A 44 -7.300 0.020 58.584 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -5.165 2.156 59.067 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -5.650 1.568 57.489 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -7.764 4.621 58.820 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -6.036 4.306 59.008 1.00 54.12 H new ATOM 704 N LEU A 45 -4.417 -0.565 60.030 1.00 41.32 N ATOM 705 CA LEU A 45 -3.316 -1.519 60.077 1.00 63.54 C ATOM 706 C LEU A 45 -3.833 -2.933 60.273 1.00 61.15 C ATOM 707 O LEU A 45 -3.254 -3.894 59.768 1.00 54.24 O ATOM 708 CB LEU A 45 -2.346 -1.180 61.219 1.00 51.25 C ATOM 709 CG LEU A 45 -1.778 0.240 61.063 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.734 0.479 62.159 1.00 1.03 C ATOM 711 CD2 LEU A 45 -1.117 0.410 59.682 1.00 11.44 C ATOM 0 H LEU A 45 -4.415 0.124 60.782 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.790 -1.455 59.125 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.862 -1.265 62.175 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.529 -1.902 61.232 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.591 0.961 61.151 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.324 1.484 62.058 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.203 0.375 63.137 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.069 -0.252 62.062 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.721 1.421 59.590 1.00 11.44 H new ATOM 0 HD22 LEU A 45 -0.304 -0.309 59.577 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.857 0.238 58.901 1.00 11.44 H new ATOM 723 N LEU A 46 -4.903 -3.053 61.049 1.00 71.41 N ATOM 724 CA LEU A 46 -5.457 -4.362 61.348 1.00 61.10 C ATOM 725 C LEU A 46 -5.832 -5.097 60.070 1.00 31.50 C ATOM 726 O LEU A 46 -5.590 -6.297 59.945 1.00 54.02 O ATOM 727 CB LEU A 46 -6.716 -4.150 62.205 1.00 60.53 C ATOM 728 CG LEU A 46 -7.247 -5.490 62.787 1.00 44.45 C ATOM 729 CD1 LEU A 46 -8.072 -5.220 64.061 1.00 64.30 C ATOM 730 CD2 LEU A 46 -8.147 -6.229 61.767 1.00 0.20 C ATOM 0 H LEU A 46 -5.397 -2.270 61.476 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.717 -4.963 61.877 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.490 -3.463 63.021 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.493 -3.682 61.601 1.00 60.53 H new ATOM 0 HG LEU A 46 -6.383 -6.114 63.018 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -8.441 -6.164 64.463 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -7.443 -4.730 64.805 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -8.916 -4.575 63.818 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.502 -7.162 62.204 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -9.000 -5.600 61.512 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -7.573 -6.446 60.866 1.00 0.20 H new ATOM 742 N ALA A 47 -6.404 -4.378 59.111 1.00 34.35 N ATOM 743 CA ALA A 47 -6.784 -5.018 57.856 1.00 53.05 C ATOM 744 C ALA A 47 -5.577 -5.510 57.049 1.00 12.35 C ATOM 745 O ALA A 47 -5.620 -6.585 56.451 1.00 23.24 O ATOM 746 CB ALA A 47 -7.589 -4.034 57.006 1.00 33.42 C ATOM 0 H ALA A 47 -6.610 -3.381 59.172 1.00 34.35 H new ATOM 0 HA ALA A 47 -7.383 -5.892 58.111 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.873 -4.511 56.068 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -8.486 -3.735 57.548 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.982 -3.154 56.796 1.00 33.42 H new ATOM 752 N GLU A 48 -4.516 -4.705 57.015 1.00 4.11 N ATOM 753 CA GLU A 48 -3.319 -5.057 56.254 1.00 71.31 C ATOM 754 C GLU A 48 -2.592 -6.288 56.785 1.00 53.14 C ATOM 755 O GLU A 48 -2.000 -7.042 56.012 1.00 1.34 O ATOM 756 CB GLU A 48 -2.355 -3.872 56.248 1.00 1.10 C ATOM 757 CG GLU A 48 -2.994 -2.701 55.498 1.00 43.35 C ATOM 758 CD GLU A 48 -2.018 -1.531 55.428 1.00 0.13 C ATOM 759 OE1 GLU A 48 -0.991 -1.602 56.083 1.00 22.11 O ATOM 760 OE2 GLU A 48 -2.312 -0.582 54.719 1.00 1.25 O ATOM 0 H GLU A 48 -4.461 -3.811 57.502 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.655 -5.301 55.246 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -2.117 -3.577 57.270 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -1.416 -4.155 55.771 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -3.274 -3.012 54.492 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -3.910 -2.392 56.002 1.00 43.35 H new ATOM 767 N ALA A 49 -2.580 -6.464 58.102 1.00 33.23 N ATOM 768 CA ALA A 49 -1.846 -7.585 58.677 1.00 2.00 C ATOM 769 C ALA A 49 -2.410 -8.938 58.255 1.00 71.01 C ATOM 770 O ALA A 49 -1.654 -9.867 57.969 1.00 35.52 O ATOM 771 CB ALA A 49 -1.865 -7.469 60.206 1.00 23.43 C ATOM 0 H ALA A 49 -3.056 -5.863 58.775 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.824 -7.536 58.301 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.317 -8.305 60.641 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.395 -6.532 60.506 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.896 -7.487 60.559 1.00 23.43 H new ATOM 777 N LYS A 50 -3.730 -9.052 58.210 1.00 4.25 N ATOM 778 CA LYS A 50 -4.341 -10.312 57.813 1.00 23.31 C ATOM 779 C LYS A 50 -3.929 -10.701 56.396 1.00 72.12 C ATOM 780 O LYS A 50 -3.679 -11.870 56.106 1.00 75.31 O ATOM 781 CB LYS A 50 -5.866 -10.190 57.897 1.00 25.20 C ATOM 782 CG LYS A 50 -6.516 -11.550 57.620 1.00 15.54 C ATOM 783 CD LYS A 50 -8.039 -11.399 57.651 1.00 73.13 C ATOM 784 CE LYS A 50 -8.692 -12.776 57.536 1.00 33.33 C ATOM 785 NZ LYS A 50 -10.173 -12.635 57.637 1.00 30.21 N ATOM 0 H LYS A 50 -4.386 -8.305 58.438 1.00 4.25 H new ATOM 0 HA LYS A 50 -3.996 -11.092 58.492 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -6.157 -9.833 58.885 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -6.221 -9.454 57.175 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.196 -11.928 56.649 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.196 -12.278 58.366 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.348 -10.915 58.577 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.368 -10.759 56.832 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -8.424 -13.239 56.586 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.324 -13.432 58.325 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -10.617 -13.572 57.559 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -10.420 -12.211 58.554 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -10.517 -12.024 56.869 1.00 30.21 H new ATOM 799 N LYS A 51 -3.894 -9.704 55.516 1.00 23.43 N ATOM 800 CA LYS A 51 -3.550 -9.933 54.116 1.00 54.50 C ATOM 801 C LYS A 51 -2.150 -10.522 53.928 1.00 75.32 C ATOM 802 O LYS A 51 -1.954 -11.416 53.105 1.00 61.01 O ATOM 803 CB LYS A 51 -3.647 -8.592 53.384 1.00 24.15 C ATOM 804 CG LYS A 51 -3.436 -8.777 51.882 1.00 5.50 C ATOM 805 CD LYS A 51 -3.482 -7.407 51.207 1.00 53.11 C ATOM 806 CE LYS A 51 -3.433 -7.576 49.692 1.00 31.35 C ATOM 807 NZ LYS A 51 -4.683 -8.238 49.225 1.00 54.42 N ATOM 0 H LYS A 51 -4.099 -8.732 55.747 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.247 -10.667 53.711 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -4.623 -8.143 53.566 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -2.901 -7.902 53.778 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -2.477 -9.260 51.692 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -4.207 -9.427 51.470 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -4.392 -6.880 51.494 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -2.642 -6.798 51.542 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -3.322 -6.604 49.211 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -2.566 -8.173 49.410 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -4.841 -8.014 48.222 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -4.594 -9.268 49.340 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -5.488 -7.895 49.787 1.00 54.42 H new ATOM 821 N LEU A 52 -1.179 -10.013 54.680 1.00 14.24 N ATOM 822 CA LEU A 52 0.194 -10.499 54.560 1.00 55.12 C ATOM 823 C LEU A 52 0.299 -11.980 54.909 1.00 73.34 C ATOM 824 O LEU A 52 1.095 -12.717 54.321 1.00 73.02 O ATOM 825 CB LEU A 52 1.128 -9.685 55.469 1.00 71.21 C ATOM 826 CG LEU A 52 2.598 -10.105 55.261 1.00 72.12 C ATOM 827 CD1 LEU A 52 3.115 -9.602 53.902 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.447 -9.500 56.382 1.00 45.20 C ATOM 0 H LEU A 52 -1.313 -9.274 55.370 1.00 14.24 H new ATOM 0 HA LEU A 52 0.497 -10.374 53.520 1.00 55.12 H new ATOM 0 HB2 LEU A 52 1.015 -8.622 55.255 1.00 71.21 H new ATOM 0 HB3 LEU A 52 0.847 -9.832 56.512 1.00 71.21 H new ATOM 0 HG LEU A 52 2.666 -11.193 55.279 1.00 72.12 H new ATOM 0 HD11 LEU A 52 4.153 -9.907 53.772 1.00 53.43 H new ATOM 0 HD12 LEU A 52 2.509 -10.027 53.102 1.00 53.43 H new ATOM 0 HD13 LEU A 52 3.050 -8.515 53.868 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.489 -9.790 56.246 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.366 -8.413 56.354 1.00 45.20 H new ATOM 0 HD23 LEU A 52 3.091 -9.865 57.345 1.00 45.20 H new ATOM 840 N ASN A 53 -0.463 -12.390 55.913 1.00 30.55 N ATOM 841 CA ASN A 53 -0.397 -13.763 56.381 1.00 12.22 C ATOM 842 C ASN A 53 -0.663 -14.739 55.239 1.00 20.35 C ATOM 843 O ASN A 53 -0.009 -15.777 55.127 1.00 22.15 O ATOM 844 CB ASN A 53 -1.458 -13.940 57.468 1.00 4.55 C ATOM 845 CG ASN A 53 -1.232 -15.226 58.248 1.00 21.40 C ATOM 846 OD1 ASN A 53 -0.250 -15.332 58.978 1.00 11.02 O ATOM 847 ND2 ASN A 53 -2.078 -16.210 58.143 1.00 12.51 N ATOM 0 H ASN A 53 -1.126 -11.798 56.413 1.00 30.55 H new ATOM 0 HA ASN A 53 0.599 -13.970 56.773 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.432 -13.089 58.148 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -2.449 -13.955 57.014 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -1.926 -17.071 58.668 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -2.893 -16.119 57.536 1.00 12.51 H new ATOM 854 N ASP A 54 -1.619 -14.386 54.384 1.00 50.01 N ATOM 855 CA ASP A 54 -1.957 -15.218 53.235 1.00 62.34 C ATOM 856 C ASP A 54 -0.774 -15.411 52.283 1.00 11.11 C ATOM 857 O ASP A 54 -0.612 -16.476 51.689 1.00 73.25 O ATOM 858 CB ASP A 54 -3.122 -14.588 52.469 1.00 11.40 C ATOM 859 CG ASP A 54 -3.626 -15.556 51.404 1.00 5.23 C ATOM 860 OD1 ASP A 54 -3.138 -16.673 51.367 1.00 44.54 O ATOM 861 OD2 ASP A 54 -4.494 -15.165 50.640 1.00 12.01 O ATOM 0 H ASP A 54 -2.171 -13.532 54.465 1.00 50.01 H new ATOM 0 HA ASP A 54 -2.236 -16.199 53.619 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -3.929 -14.339 53.158 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -2.801 -13.656 52.003 1.00 11.40 H new ATOM 866 N ALA A 55 0.011 -14.349 52.101 1.00 63.33 N ATOM 867 CA ALA A 55 1.137 -14.385 51.166 1.00 75.40 C ATOM 868 C ALA A 55 2.217 -15.394 51.547 1.00 54.24 C ATOM 869 O ALA A 55 2.825 -16.006 50.669 1.00 42.04 O ATOM 870 CB ALA A 55 1.764 -12.993 51.073 1.00 14.55 C ATOM 0 H ALA A 55 -0.110 -13.459 52.584 1.00 63.33 H new ATOM 0 HA ALA A 55 0.732 -14.703 50.205 1.00 75.40 H new ATOM 0 HB1 ALA A 55 2.603 -13.017 50.377 1.00 14.55 H new ATOM 0 HB2 ALA A 55 1.019 -12.281 50.718 1.00 14.55 H new ATOM 0 HB3 ALA A 55 2.118 -12.687 52.057 1.00 14.55 H new ATOM 876 N GLN A 56 2.476 -15.561 52.836 1.00 13.12 N ATOM 877 CA GLN A 56 3.517 -16.499 53.253 1.00 70.45 C ATOM 878 C GLN A 56 3.235 -17.908 52.728 1.00 74.21 C ATOM 879 O GLN A 56 4.148 -18.617 52.303 1.00 61.33 O ATOM 880 CB GLN A 56 3.609 -16.505 54.778 1.00 75.40 C ATOM 881 CG GLN A 56 4.817 -17.328 55.241 1.00 42.42 C ATOM 882 CD GLN A 56 6.108 -16.571 54.947 1.00 1.22 C ATOM 883 OE1 GLN A 56 6.339 -15.496 55.502 1.00 75.44 O ATOM 884 NE2 GLN A 56 6.971 -17.071 54.104 1.00 25.51 N ATOM 0 H GLN A 56 1.997 -15.076 53.595 1.00 13.12 H new ATOM 0 HA GLN A 56 4.469 -16.176 52.832 1.00 70.45 H new ATOM 0 HB2 GLN A 56 3.695 -15.483 55.147 1.00 75.40 H new ATOM 0 HB3 GLN A 56 2.695 -16.921 55.202 1.00 75.40 H new ATOM 0 HG2 GLN A 56 4.741 -17.532 56.309 1.00 42.42 H new ATOM 0 HG3 GLN A 56 4.827 -18.292 54.732 1.00 42.42 H new ATOM 0 HE21 GLN A 56 6.779 -17.961 53.645 1.00 25.51 H new ATOM 0 HE22 GLN A 56 7.838 -16.571 53.905 1.00 25.51 H new ATOM 893 N ALA A 57 1.967 -18.298 52.745 1.00 41.45 N ATOM 894 CA ALA A 57 1.566 -19.614 52.251 1.00 3.34 C ATOM 895 C ALA A 57 2.544 -20.704 52.704 1.00 45.42 C ATOM 896 O ALA A 57 3.152 -21.373 51.869 1.00 70.24 O ATOM 897 CB ALA A 57 1.505 -19.595 50.724 1.00 15.43 C ATOM 0 H ALA A 57 1.198 -17.725 53.094 1.00 41.45 H new ATOM 0 HA ALA A 57 0.583 -19.841 52.663 1.00 3.34 H new ATOM 0 HB1 ALA A 57 1.206 -20.578 50.360 1.00 15.43 H new ATOM 0 HB2 ALA A 57 0.779 -18.850 50.398 1.00 15.43 H new ATOM 0 HB3 ALA A 57 2.487 -19.343 50.324 1.00 15.43 H new ATOM 903 N PRO A 58 2.703 -20.908 53.987 1.00 72.22 N ATOM 904 CA PRO A 58 3.626 -21.958 54.521 1.00 5.45 C ATOM 905 C PRO A 58 3.237 -23.353 54.036 1.00 32.31 C ATOM 906 O PRO A 58 4.062 -24.267 54.007 1.00 74.14 O ATOM 907 CB PRO A 58 3.502 -21.824 56.053 1.00 52.14 C ATOM 908 CG PRO A 58 2.217 -21.092 56.277 1.00 51.21 C ATOM 909 CD PRO A 58 2.035 -20.176 55.070 1.00 1.22 C ATOM 0 HA PRO A 58 4.652 -21.823 54.178 1.00 5.45 H new ATOM 0 HB2 PRO A 58 3.488 -22.802 56.534 1.00 52.14 H new ATOM 0 HB3 PRO A 58 4.346 -21.275 56.470 1.00 52.14 H new ATOM 0 HG2 PRO A 58 1.383 -21.788 56.367 1.00 51.21 H new ATOM 0 HG3 PRO A 58 2.253 -20.516 57.202 1.00 51.21 H new ATOM 0 HD2 PRO A 58 0.981 -20.005 54.850 1.00 1.22 H new ATOM 0 HD3 PRO A 58 2.489 -19.199 55.235 1.00 1.22 H new ATOM 917 N LYS A 59 1.963 -23.507 53.679 1.00 51.24 N ATOM 918 CA LYS A 59 1.437 -24.792 53.218 1.00 3.44 C ATOM 919 C LYS A 59 1.169 -24.757 51.717 1.00 22.42 C ATOM 920 O LYS A 59 0.159 -25.301 51.302 1.00 61.53 O ATOM 921 CB LYS A 59 0.137 -25.092 53.965 1.00 35.24 C ATOM 922 CG LYS A 59 0.439 -25.232 55.459 1.00 25.14 C ATOM 923 CD LYS A 59 -0.828 -25.647 56.210 1.00 31.13 C ATOM 924 CE LYS A 59 -0.548 -25.666 57.715 1.00 53.14 C ATOM 925 NZ LYS A 59 -1.838 -25.688 58.461 1.00 14.35 N ATOM 926 OXT LYS A 59 1.976 -24.183 51.004 1.00 61.53 O ATOM 0 H LYS A 59 1.274 -22.756 53.700 1.00 51.24 H new ATOM 0 HA LYS A 59 2.173 -25.571 53.417 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -0.584 -24.292 53.801 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -0.312 -26.009 53.585 1.00 35.24 H new ATOM 0 HG2 LYS A 59 1.223 -25.974 55.612 1.00 25.14 H new ATOM 0 HG3 LYS A 59 0.813 -24.287 55.853 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -1.638 -24.952 55.989 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -1.154 -26.633 55.878 1.00 31.13 H new ATOM 0 HE2 LYS A 59 0.049 -26.541 57.974 1.00 53.14 H new ATOM 0 HE3 LYS A 59 0.033 -24.789 57.999 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -1.648 -25.701 59.483 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -2.391 -24.840 58.223 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -2.376 -26.538 58.198 1.00 14.35 H new TER 940 LYS A 59