USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 712 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 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.312 USER MOD Single : A 7 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.51) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 84:sc= 0.939 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -61:sc= -0.288 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.804 K(o=-0.8,f=-2.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -7.18! C(o=-7.2!,f=-5.2!) USER MOD Single : A 34 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 62:sc= 1.3 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 67:sc= 1.16 USER MOD Single : A 62 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.281) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -0.771 K(o=-0.77,f=-0.27) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.210 -7.201 8.136 1.00 54.00 N ATOM 2 CA THR A 5 -8.974 -6.532 7.755 1.00 34.20 C ATOM 3 C THR A 5 -8.418 -7.113 6.460 1.00 62.20 C ATOM 4 O THR A 5 -8.169 -6.386 5.498 1.00 12.00 O ATOM 5 CB THR A 5 -7.937 -6.659 8.872 1.00 12.30 C ATOM 6 OG1 THR A 5 -8.526 -6.405 10.135 1.00 53.30 O ATOM 7 CG2 THR A 5 -6.766 -5.714 8.712 1.00 52.30 C ATOM 0 HA THR A 5 -9.196 -5.477 7.592 1.00 34.20 H new ATOM 0 HB THR A 5 -7.568 -7.683 8.808 1.00 12.30 H new ATOM 0 HG1 THR A 5 -9.487 -6.593 10.092 1.00 53.30 H new ATOM 0 HG21 THR A 5 -6.068 -5.856 9.537 1.00 52.30 H new ATOM 0 HG22 THR A 5 -6.259 -5.919 7.769 1.00 52.30 H new ATOM 0 HG23 THR A 5 -7.126 -4.685 8.714 1.00 52.30 H new ATOM 15 N LEU A 6 -8.225 -8.428 6.442 1.00 75.10 N ATOM 16 CA LEU A 6 -7.698 -9.107 5.264 1.00 50.30 C ATOM 17 C LEU A 6 -8.618 -8.907 4.064 1.00 10.20 C ATOM 18 O LEU A 6 -8.157 -8.648 2.952 1.00 63.30 O ATOM 19 CB LEU A 6 -7.524 -10.600 5.545 1.00 32.30 C ATOM 20 CG LEU A 6 -6.184 -10.990 6.172 1.00 52.50 C ATOM 21 CD1 LEU A 6 -6.265 -10.920 7.689 1.00 31.30 C ATOM 22 CD2 LEU A 6 -5.770 -12.380 5.721 1.00 73.40 C ATOM 0 H LEU A 6 -8.426 -9.044 7.230 1.00 75.10 H new ATOM 0 HA LEU A 6 -6.726 -8.673 5.030 1.00 50.30 H new ATOM 0 HB2 LEU A 6 -8.326 -10.925 6.208 1.00 32.30 H new ATOM 0 HB3 LEU A 6 -7.642 -11.146 4.609 1.00 32.30 H new ATOM 0 HG LEU A 6 -5.427 -10.281 5.837 1.00 52.50 H new ATOM 0 HD11 LEU A 6 -5.303 -11.201 8.118 1.00 31.30 H new ATOM 0 HD12 LEU A 6 -6.516 -9.904 7.993 1.00 31.30 H new ATOM 0 HD13 LEU A 6 -7.035 -11.605 8.044 1.00 31.30 H new ATOM 0 HD21 LEU A 6 -4.815 -12.641 6.177 1.00 73.40 H new ATOM 0 HD22 LEU A 6 -6.527 -13.102 6.027 1.00 73.40 H new ATOM 0 HD23 LEU A 6 -5.671 -12.396 4.636 1.00 73.40 H new ATOM 34 N GLN A 7 -9.920 -9.030 4.296 1.00 44.50 N ATOM 35 CA GLN A 7 -10.900 -8.862 3.234 1.00 32.00 C ATOM 36 C GLN A 7 -10.820 -7.464 2.630 1.00 13.10 C ATOM 37 O GLN A 7 -10.980 -7.289 1.422 1.00 32.10 O ATOM 38 CB GLN A 7 -12.310 -9.114 3.773 1.00 14.40 C ATOM 39 CG GLN A 7 -13.340 -9.392 2.686 1.00 65.40 C ATOM 40 CD GLN A 7 -12.990 -10.600 1.850 1.00 40.30 C ATOM 41 OE1 GLN A 7 -13.450 -11.710 2.122 1.00 54.50 O ATOM 42 NE2 GLN A 7 -12.160 -10.400 0.826 1.00 64.30 N ATOM 0 H GLN A 7 -10.319 -9.245 5.210 1.00 44.50 H new ATOM 0 HA GLN A 7 -10.677 -9.588 2.452 1.00 32.00 H new ATOM 0 HB2 GLN A 7 -12.281 -9.960 4.459 1.00 14.40 H new ATOM 0 HB3 GLN A 7 -12.629 -8.246 4.350 1.00 14.40 H new ATOM 0 HG2 GLN A 7 -14.316 -9.544 3.146 1.00 65.40 H new ATOM 0 HG3 GLN A 7 -13.425 -8.519 2.039 1.00 65.40 H new ATOM 0 HE21 GLN A 7 -11.802 -9.464 0.635 1.00 64.30 H new ATOM 0 HE22 GLN A 7 -11.883 -11.183 0.233 1.00 64.30 H new ATOM 51 N LYS A 8 -10.570 -6.473 3.478 1.00 40.10 N ATOM 52 CA LYS A 8 -10.460 -5.090 3.028 1.00 54.40 C ATOM 53 C LYS A 8 -9.117 -4.835 2.363 1.00 70.10 C ATOM 54 O LYS A 8 -9.008 -4.016 1.451 1.00 62.10 O ATOM 55 CB LYS A 8 -10.650 -4.132 4.206 1.00 62.00 C ATOM 56 CG LYS A 8 -12.100 -3.733 4.438 1.00 41.10 C ATOM 57 CD LYS A 8 -12.450 -2.447 3.707 1.00 74.10 C ATOM 58 CE LYS A 8 -13.880 -2.468 3.191 1.00 1.41 C ATOM 59 NZ LYS A 8 -14.390 -1.097 2.912 1.00 64.10 N ATOM 0 H LYS A 8 -10.440 -6.601 4.481 1.00 40.10 H new ATOM 0 HA LYS A 8 -11.245 -4.913 2.293 1.00 54.40 H new ATOM 0 HB2 LYS A 8 -10.261 -4.600 5.111 1.00 62.00 H new ATOM 0 HB3 LYS A 8 -10.058 -3.234 4.032 1.00 62.00 H new ATOM 0 HG2 LYS A 8 -12.757 -4.535 4.100 1.00 41.10 H new ATOM 0 HG3 LYS A 8 -12.276 -3.605 5.506 1.00 41.10 H new ATOM 0 HD2 LYS A 8 -12.317 -1.599 4.378 1.00 74.10 H new ATOM 0 HD3 LYS A 8 -11.764 -2.304 2.873 1.00 74.10 H new ATOM 0 HE2 LYS A 8 -13.929 -3.066 2.281 1.00 1.41 H new ATOM 0 HE3 LYS A 8 -14.524 -2.952 3.925 1.00 1.41 H new ATOM 0 HZ1 LYS A 8 -15.368 -1.155 2.562 1.00 64.10 H new ATOM 0 HZ2 LYS A 8 -14.368 -0.534 3.786 1.00 64.10 H new ATOM 0 HZ3 LYS A 8 -13.791 -0.644 2.193 1.00 64.10 H new ATOM 73 N ALA A 9 -8.092 -5.543 2.826 1.00 62.10 N ATOM 74 CA ALA A 9 -6.750 -5.394 2.276 1.00 14.30 C ATOM 75 C ALA A 9 -6.706 -5.821 0.813 1.00 24.00 C ATOM 76 O ALA A 9 -6.241 -5.075 -0.049 1.00 52.40 O ATOM 77 CB ALA A 9 -5.752 -6.201 3.093 1.00 65.10 C ATOM 0 H ALA A 9 -8.165 -6.225 3.581 1.00 62.10 H new ATOM 0 HA ALA A 9 -6.478 -4.340 2.328 1.00 14.30 H new ATOM 0 HB1 ALA A 9 -4.754 -6.080 2.671 1.00 65.10 H new ATOM 0 HB2 ALA A 9 -5.755 -5.847 4.124 1.00 65.10 H new ATOM 0 HB3 ALA A 9 -6.031 -7.255 3.070 1.00 65.10 H new ATOM 83 N ILE A 10 -7.193 -7.027 0.539 1.00 45.10 N ATOM 84 CA ILE A 10 -7.209 -7.554 -0.820 1.00 25.40 C ATOM 85 C ILE A 10 -8.105 -6.712 -1.723 1.00 42.30 C ATOM 86 O ILE A 10 -7.774 -6.460 -2.882 1.00 31.10 O ATOM 87 CB ILE A 10 -7.695 -9.016 -0.852 1.00 2.22 C ATOM 88 CG1 ILE A 10 -6.920 -9.859 0.163 1.00 32.40 C ATOM 89 CG2 ILE A 10 -7.545 -9.595 -2.252 1.00 60.30 C ATOM 90 CD1 ILE A 10 -7.787 -10.840 0.918 1.00 62.20 C ATOM 0 H ILE A 10 -7.582 -7.657 1.240 1.00 45.10 H new ATOM 0 HA ILE A 10 -6.184 -7.513 -1.187 1.00 25.40 H new ATOM 0 HB ILE A 10 -8.751 -9.036 -0.582 1.00 2.22 H new ATOM 0 HG12 ILE A 10 -6.133 -10.406 -0.356 1.00 32.40 H new ATOM 0 HG13 ILE A 10 -6.430 -9.196 0.876 1.00 32.40 H new ATOM 0 HG21 ILE A 10 -7.893 -10.628 -2.258 1.00 60.30 H new ATOM 0 HG22 ILE A 10 -8.138 -9.009 -2.954 1.00 60.30 H new ATOM 0 HG23 ILE A 10 -6.497 -9.563 -2.548 1.00 60.30 H new ATOM 0 HD11 ILE A 10 -7.172 -11.404 1.620 1.00 62.20 H new ATOM 0 HD12 ILE A 10 -8.558 -10.298 1.465 1.00 62.20 H new ATOM 0 HD13 ILE A 10 -8.257 -11.527 0.214 1.00 62.20 H new ATOM 102 N ASP A 11 -9.241 -6.281 -1.185 1.00 45.30 N ATOM 103 CA ASP A 11 -10.180 -5.468 -1.942 1.00 20.10 C ATOM 104 C ASP A 11 -9.535 -4.168 -2.404 1.00 32.10 C ATOM 105 O ASP A 11 -9.788 -3.695 -3.512 1.00 11.10 O ATOM 106 CB ASP A 11 -11.420 -5.161 -1.094 1.00 52.10 C ATOM 107 CG ASP A 11 -12.510 -6.200 -1.264 1.00 31.30 C ATOM 108 OD1 ASP A 11 -12.230 -7.396 -1.042 1.00 32.30 O ATOM 109 OD2 ASP A 11 -13.640 -5.816 -1.620 1.00 25.00 O ATOM 0 H ASP A 11 -9.532 -6.482 -0.228 1.00 45.30 H new ATOM 0 HA ASP A 11 -10.478 -6.035 -2.824 1.00 20.10 H new ATOM 0 HB2 ASP A 11 -11.134 -5.108 -0.044 1.00 52.10 H new ATOM 0 HB3 ASP A 11 -11.810 -4.181 -1.368 1.00 52.10 H new ATOM 114 N LEU A 12 -8.698 -3.594 -1.546 1.00 64.20 N ATOM 115 CA LEU A 12 -8.010 -2.349 -1.866 1.00 41.10 C ATOM 116 C LEU A 12 -6.927 -2.579 -2.915 1.00 23.00 C ATOM 117 O LEU A 12 -6.716 -1.746 -3.797 1.00 40.30 O ATOM 118 CB LEU A 12 -7.394 -1.743 -0.604 1.00 34.20 C ATOM 119 CG LEU A 12 -8.384 -1.043 0.328 1.00 61.20 C ATOM 120 CD1 LEU A 12 -7.916 -1.140 1.772 1.00 12.20 C ATOM 121 CD2 LEU A 12 -8.562 0.411 -0.080 1.00 13.50 C ATOM 0 H LEU A 12 -8.480 -3.971 -0.624 1.00 64.20 H new ATOM 0 HA LEU A 12 -8.743 -1.653 -2.274 1.00 41.10 H new ATOM 0 HB2 LEU A 12 -6.892 -2.534 -0.047 1.00 34.20 H new ATOM 0 HB3 LEU A 12 -6.628 -1.026 -0.900 1.00 34.20 H new ATOM 0 HG LEU A 12 -9.349 -1.543 0.246 1.00 61.20 H new ATOM 0 HD11 LEU A 12 -8.632 -0.637 2.421 1.00 12.20 H new ATOM 0 HD12 LEU A 12 -7.840 -2.188 2.060 1.00 12.20 H new ATOM 0 HD13 LEU A 12 -6.940 -0.665 1.871 1.00 12.20 H new ATOM 0 HD21 LEU A 12 -9.270 0.894 0.594 1.00 13.50 H new ATOM 0 HD22 LEU A 12 -7.602 0.924 -0.026 1.00 13.50 H new ATOM 0 HD23 LEU A 12 -8.942 0.459 -1.100 1.00 13.50 H new ATOM 133 N VAL A 13 -6.245 -3.715 -2.814 1.00 1.43 N ATOM 134 CA VAL A 13 -5.184 -4.055 -3.755 1.00 13.10 C ATOM 135 C VAL A 13 -5.747 -4.298 -5.151 1.00 1.43 C ATOM 136 O VAL A 13 -5.171 -3.862 -6.147 1.00 32.10 O ATOM 137 CB VAL A 13 -4.409 -5.307 -3.300 1.00 71.50 C ATOM 138 CG1 VAL A 13 -3.217 -5.560 -4.211 1.00 4.24 C ATOM 139 CG2 VAL A 13 -3.961 -5.164 -1.853 1.00 5.10 C ATOM 0 H VAL A 13 -6.408 -4.415 -2.091 1.00 1.43 H new ATOM 0 HA VAL A 13 -4.501 -3.206 -3.784 1.00 13.10 H new ATOM 0 HB VAL A 13 -5.077 -6.166 -3.366 1.00 71.50 H new ATOM 0 HG11 VAL A 13 -2.683 -6.448 -3.873 1.00 4.24 H new ATOM 0 HG12 VAL A 13 -3.566 -5.713 -5.232 1.00 4.24 H new ATOM 0 HG13 VAL A 13 -2.547 -4.701 -4.181 1.00 4.24 H new ATOM 0 HG21 VAL A 13 -3.416 -6.058 -1.551 1.00 5.10 H new ATOM 0 HG22 VAL A 13 -3.312 -4.294 -1.757 1.00 5.10 H new ATOM 0 HG23 VAL A 13 -4.834 -5.038 -1.213 1.00 5.10 H new ATOM 149 N THR A 14 -6.876 -4.997 -5.215 1.00 1.55 N ATOM 150 CA THR A 14 -7.518 -5.299 -6.490 1.00 55.30 C ATOM 151 C THR A 14 -7.854 -4.018 -7.248 1.00 61.10 C ATOM 152 O THR A 14 -7.528 -3.879 -8.427 1.00 23.20 O ATOM 153 CB THR A 14 -8.788 -6.119 -6.263 1.00 73.30 C ATOM 154 OG1 THR A 14 -8.630 -6.994 -5.161 1.00 23.30 O ATOM 155 CG2 THR A 14 -9.182 -6.956 -7.461 1.00 43.20 C ATOM 0 H THR A 14 -7.365 -5.365 -4.399 1.00 1.55 H new ATOM 0 HA THR A 14 -6.820 -5.882 -7.091 1.00 55.30 H new ATOM 0 HB THR A 14 -9.574 -5.388 -6.077 1.00 73.30 H new ATOM 0 HG1 THR A 14 -8.821 -6.511 -4.330 1.00 23.30 H new ATOM 0 HG21 THR A 14 -10.091 -7.513 -7.233 1.00 43.20 H new ATOM 0 HG22 THR A 14 -9.360 -6.305 -8.317 1.00 43.20 H new ATOM 0 HG23 THR A 14 -8.379 -7.654 -7.697 1.00 43.20 H new ATOM 163 N LYS A 15 -8.507 -3.085 -6.562 1.00 21.30 N ATOM 164 CA LYS A 15 -8.886 -1.815 -7.170 1.00 1.33 C ATOM 165 C LYS A 15 -7.655 -1.051 -7.647 1.00 33.10 C ATOM 166 O LYS A 15 -7.716 -0.304 -8.624 1.00 43.20 O ATOM 167 CB LYS A 15 -9.675 -0.964 -6.174 1.00 4.24 C ATOM 168 CG LYS A 15 -11.110 -1.412 -5.998 1.00 72.10 C ATOM 169 CD LYS A 15 -12.040 -0.683 -6.953 1.00 72.30 C ATOM 170 CE LYS A 15 -13.260 -1.523 -7.291 1.00 4.42 C ATOM 171 NZ LYS A 15 -14.450 -0.678 -7.606 1.00 53.20 N ATOM 0 H LYS A 15 -8.784 -3.185 -5.586 1.00 21.30 H new ATOM 0 HA LYS A 15 -9.516 -2.028 -8.034 1.00 1.33 H new ATOM 0 HB2 LYS A 15 -9.173 -0.992 -5.207 1.00 4.24 H new ATOM 0 HB3 LYS A 15 -9.665 0.074 -6.508 1.00 4.24 H new ATOM 0 HG2 LYS A 15 -11.181 -2.486 -6.168 1.00 72.10 H new ATOM 0 HG3 LYS A 15 -11.426 -1.231 -4.971 1.00 72.10 H new ATOM 0 HD2 LYS A 15 -12.358 0.259 -6.505 1.00 72.30 H new ATOM 0 HD3 LYS A 15 -11.502 -0.435 -7.868 1.00 72.30 H new ATOM 0 HE2 LYS A 15 -13.034 -2.164 -8.143 1.00 4.42 H new ATOM 0 HE3 LYS A 15 -13.493 -2.179 -6.452 1.00 4.42 H new ATOM 0 HZ1 LYS A 15 -15.260 -1.290 -7.831 1.00 53.20 H new ATOM 0 HZ2 LYS A 15 -14.682 -0.085 -6.784 1.00 53.20 H new ATOM 0 HZ3 LYS A 15 -14.238 -0.070 -8.423 1.00 53.20 H new ATOM 185 N ALA A 16 -6.539 -1.244 -6.952 1.00 25.40 N ATOM 186 CA ALA A 16 -5.294 -0.573 -7.305 1.00 70.20 C ATOM 187 C ALA A 16 -4.640 -1.233 -8.514 1.00 3.43 C ATOM 188 O ALA A 16 -4.017 -0.564 -9.338 1.00 61.20 O ATOM 189 CB ALA A 16 -4.340 -0.575 -6.121 1.00 4.15 C ATOM 0 H ALA A 16 -6.472 -1.859 -6.141 1.00 25.40 H new ATOM 0 HA ALA A 16 -5.527 0.459 -7.568 1.00 70.20 H new ATOM 0 HB1 ALA A 16 -3.414 -0.071 -6.399 1.00 4.15 H new ATOM 0 HB2 ALA A 16 -4.800 -0.053 -5.282 1.00 4.15 H new ATOM 0 HB3 ALA A 16 -4.121 -1.603 -5.832 1.00 4.15 H new ATOM 195 N THR A 17 -4.788 -2.550 -8.614 1.00 42.30 N ATOM 196 CA THR A 17 -4.213 -3.302 -9.723 1.00 54.40 C ATOM 197 C THR A 17 -4.778 -2.819 -11.050 1.00 3.04 C ATOM 198 O THR A 17 -4.052 -2.699 -12.040 1.00 40.10 O ATOM 199 CB THR A 17 -4.482 -4.800 -9.550 1.00 0.11 C ATOM 200 OG1 THR A 17 -5.150 -5.055 -8.327 1.00 5.52 O ATOM 201 CG2 THR A 17 -3.223 -5.639 -9.567 1.00 21.20 C ATOM 0 H THR A 17 -5.301 -3.118 -7.940 1.00 42.30 H new ATOM 0 HA THR A 17 -3.136 -3.136 -9.724 1.00 54.40 H new ATOM 0 HB THR A 17 -5.100 -5.081 -10.403 1.00 0.11 H new ATOM 0 HG1 THR A 17 -4.588 -4.760 -7.580 1.00 5.52 H new ATOM 0 HG21 THR A 17 -3.484 -6.690 -9.440 1.00 21.20 H new ATOM 0 HG22 THR A 17 -2.710 -5.505 -10.519 1.00 21.20 H new ATOM 0 HG23 THR A 17 -2.567 -5.327 -8.754 1.00 21.20 H new ATOM 209 N GLU A 18 -6.078 -2.542 -11.070 1.00 50.10 N ATOM 210 CA GLU A 18 -6.741 -2.071 -12.280 1.00 14.50 C ATOM 211 C GLU A 18 -6.316 -0.644 -12.610 1.00 5.42 C ATOM 212 O GLU A 18 -6.025 -0.323 -13.760 1.00 43.30 O ATOM 213 CB GLU A 18 -8.261 -2.137 -12.120 1.00 73.10 C ATOM 214 CG GLU A 18 -8.749 -3.421 -11.460 1.00 73.30 C ATOM 215 CD GLU A 18 -8.233 -4.663 -12.170 1.00 33.10 C ATOM 216 OE1 GLU A 18 -7.120 -5.116 -11.830 1.00 62.00 O ATOM 217 OE2 GLU A 18 -8.942 -5.181 -13.050 1.00 75.10 O ATOM 0 H GLU A 18 -6.693 -2.636 -10.262 1.00 50.10 H new ATOM 0 HA GLU A 18 -6.443 -2.723 -13.102 1.00 14.50 H new ATOM 0 HB2 GLU A 18 -8.593 -1.285 -11.527 1.00 73.10 H new ATOM 0 HB3 GLU A 18 -8.726 -2.043 -13.101 1.00 73.10 H new ATOM 0 HG2 GLU A 18 -8.425 -3.438 -10.419 1.00 73.30 H new ATOM 0 HG3 GLU A 18 -9.839 -3.434 -11.455 1.00 73.30 H new ATOM 224 N GLU A 19 -6.283 0.208 -11.590 1.00 24.40 N ATOM 225 CA GLU A 19 -5.893 1.602 -11.770 1.00 33.20 C ATOM 226 C GLU A 19 -4.483 1.703 -12.350 1.00 42.10 C ATOM 227 O GLU A 19 -4.269 2.319 -13.390 1.00 23.10 O ATOM 228 CB GLU A 19 -5.969 2.351 -10.440 1.00 1.05 C ATOM 229 CG GLU A 19 -7.381 2.470 -9.895 1.00 33.00 C ATOM 230 CD GLU A 19 -8.225 3.466 -10.660 1.00 43.10 C ATOM 231 OE1 GLU A 19 -7.873 3.772 -11.820 1.00 62.30 O ATOM 232 OE2 GLU A 19 -9.239 3.940 -10.110 1.00 30.10 O ATOM 0 H GLU A 19 -6.522 -0.043 -10.630 1.00 24.40 H new ATOM 0 HA GLU A 19 -6.588 2.060 -12.474 1.00 33.20 H new ATOM 0 HB2 GLU A 19 -5.346 1.838 -9.707 1.00 1.05 H new ATOM 0 HB3 GLU A 19 -5.552 3.350 -10.570 1.00 1.05 H new ATOM 0 HG2 GLU A 19 -7.862 1.492 -9.929 1.00 33.00 H new ATOM 0 HG3 GLU A 19 -7.337 2.768 -8.847 1.00 33.00 H new ATOM 239 N ASP A 20 -3.524 1.091 -11.660 1.00 14.40 N ATOM 240 CA ASP A 20 -2.133 1.111 -12.100 1.00 73.20 C ATOM 241 C ASP A 20 -2.001 0.547 -13.510 1.00 71.50 C ATOM 242 O ASP A 20 -1.118 0.946 -14.270 1.00 42.30 O ATOM 243 CB ASP A 20 -1.258 0.310 -11.130 1.00 71.20 C ATOM 244 CG ASP A 20 0.221 0.470 -11.430 1.00 74.10 C ATOM 245 OD1 ASP A 20 0.639 0.158 -12.560 1.00 5.23 O ATOM 246 OD2 ASP A 20 0.961 0.908 -10.520 1.00 15.20 O ATOM 0 H ASP A 20 -3.685 0.576 -10.795 1.00 14.40 H new ATOM 0 HA ASP A 20 -1.795 2.147 -12.111 1.00 73.20 H new ATOM 0 HB2 ASP A 20 -1.458 0.636 -10.109 1.00 71.20 H new ATOM 0 HB3 ASP A 20 -1.527 -0.745 -11.187 1.00 71.20 H new ATOM 251 N LYS A 21 -2.887 -0.382 -13.860 1.00 32.20 N ATOM 252 CA LYS A 21 -2.870 -1.000 -15.180 1.00 65.40 C ATOM 253 C LYS A 21 -3.640 -0.154 -16.190 1.00 1.42 C ATOM 254 O LYS A 21 -3.385 -0.224 -17.390 1.00 44.10 O ATOM 255 CB LYS A 21 -3.469 -2.407 -15.110 1.00 72.10 C ATOM 256 CG LYS A 21 -2.448 -3.488 -14.800 1.00 13.50 C ATOM 257 CD LYS A 21 -3.112 -4.736 -14.240 1.00 51.20 C ATOM 258 CE LYS A 21 -2.197 -5.946 -14.340 1.00 43.10 C ATOM 259 NZ LYS A 21 -2.548 -6.991 -13.340 1.00 60.40 N ATOM 0 H LYS A 21 -3.626 -0.723 -13.246 1.00 32.20 H new ATOM 0 HA LYS A 21 -1.834 -1.068 -15.511 1.00 65.40 H new ATOM 0 HB2 LYS A 21 -4.247 -2.424 -14.347 1.00 72.10 H new ATOM 0 HB3 LYS A 21 -3.950 -2.636 -16.061 1.00 72.10 H new ATOM 0 HG2 LYS A 21 -1.899 -3.742 -15.707 1.00 13.50 H new ATOM 0 HG3 LYS A 21 -1.721 -3.108 -14.083 1.00 13.50 H new ATOM 0 HD2 LYS A 21 -3.383 -4.569 -13.198 1.00 51.20 H new ATOM 0 HD3 LYS A 21 -4.037 -4.932 -14.782 1.00 51.20 H new ATOM 0 HE2 LYS A 21 -2.261 -6.367 -15.343 1.00 43.10 H new ATOM 0 HE3 LYS A 21 -1.164 -5.633 -14.191 1.00 43.10 H new ATOM 0 HZ1 LYS A 21 -1.901 -7.799 -13.441 1.00 60.40 H new ATOM 0 HZ2 LYS A 21 -2.463 -6.597 -12.381 1.00 60.40 H new ATOM 0 HZ3 LYS A 21 -3.526 -7.308 -13.498 1.00 60.40 H new ATOM 273 N ALA A 22 -4.584 0.643 -15.690 1.00 54.00 N ATOM 274 CA ALA A 22 -5.388 1.499 -16.560 1.00 22.10 C ATOM 275 C ALA A 22 -4.830 2.918 -16.610 1.00 3.20 C ATOM 276 O ALA A 22 -5.574 3.881 -16.790 1.00 3.34 O ATOM 277 CB ALA A 22 -6.834 1.515 -16.080 1.00 41.40 C ATOM 0 H ALA A 22 -4.809 0.713 -14.698 1.00 54.00 H new ATOM 0 HA ALA A 22 -5.350 1.091 -17.570 1.00 22.10 H new ATOM 0 HB1 ALA A 22 -7.427 2.155 -16.733 1.00 41.40 H new ATOM 0 HB2 ALA A 22 -7.236 0.502 -16.102 1.00 41.40 H new ATOM 0 HB3 ALA A 22 -6.875 1.899 -15.061 1.00 41.40 H new ATOM 283 N LYS A 23 -3.518 3.041 -16.440 1.00 42.40 N ATOM 284 CA LYS A 23 -2.862 4.343 -16.460 1.00 63.10 C ATOM 285 C LYS A 23 -3.426 5.263 -15.380 1.00 34.50 C ATOM 286 O LYS A 23 -3.645 6.451 -15.620 1.00 73.40 O ATOM 287 CB LYS A 23 -3.026 4.991 -17.840 1.00 31.10 C ATOM 288 CG LYS A 23 -2.749 4.043 -18.990 1.00 72.30 C ATOM 289 CD LYS A 23 -2.350 4.798 -20.250 1.00 35.40 C ATOM 290 CE LYS A 23 -0.841 4.942 -20.360 1.00 44.50 C ATOM 291 NZ LYS A 23 -0.440 5.702 -21.570 1.00 2.21 N ATOM 0 H LYS A 23 -2.888 2.254 -16.287 1.00 42.40 H new ATOM 0 HA LYS A 23 -1.802 4.192 -16.255 1.00 63.10 H new ATOM 0 HB2 LYS A 23 -4.041 5.376 -17.933 1.00 31.10 H new ATOM 0 HB3 LYS A 23 -2.353 5.845 -17.914 1.00 31.10 H new ATOM 0 HG2 LYS A 23 -1.953 3.353 -18.711 1.00 72.30 H new ATOM 0 HG3 LYS A 23 -3.636 3.442 -19.190 1.00 72.30 H new ATOM 0 HD2 LYS A 23 -2.731 4.273 -21.126 1.00 35.40 H new ATOM 0 HD3 LYS A 23 -2.811 5.786 -20.245 1.00 35.40 H new ATOM 0 HE2 LYS A 23 -0.460 5.447 -19.472 1.00 44.50 H new ATOM 0 HE3 LYS A 23 -0.384 3.953 -20.385 1.00 44.50 H new ATOM 0 HZ1 LYS A 23 0.597 5.776 -21.605 1.00 2.21 H new ATOM 0 HZ2 LYS A 23 -0.781 5.208 -22.419 1.00 2.21 H new ATOM 0 HZ3 LYS A 23 -0.854 6.655 -21.534 1.00 2.21 H new ATOM 305 N ASN A 24 -3.658 4.705 -14.200 1.00 74.20 N ATOM 306 CA ASN A 24 -4.195 5.476 -13.080 1.00 51.30 C ATOM 307 C ASN A 24 -3.318 5.324 -11.840 1.00 2.12 C ATOM 308 O ASN A 24 -3.645 4.570 -10.930 1.00 34.30 O ATOM 309 CB ASN A 24 -5.625 5.031 -12.770 1.00 74.40 C ATOM 310 CG ASN A 24 -6.652 5.722 -13.640 1.00 3.31 C ATOM 311 OD1 ASN A 24 -6.460 5.866 -14.850 1.00 1.50 O ATOM 312 ND2 ASN A 24 -7.751 6.155 -13.040 1.00 45.30 N ATOM 0 H ASN A 24 -3.484 3.722 -13.990 1.00 74.20 H new ATOM 0 HA ASN A 24 -4.203 6.528 -13.365 1.00 51.30 H new ATOM 0 HB2 ASN A 24 -5.704 3.953 -12.908 1.00 74.40 H new ATOM 0 HB3 ASN A 24 -5.846 5.235 -11.722 1.00 74.40 H new ATOM 0 HD21 ASN A 24 -8.476 6.627 -13.581 1.00 45.30 H new ATOM 0 HD22 ASN A 24 -7.873 6.017 -12.037 1.00 45.30 H new ATOM 319 N TYR A 25 -2.202 6.045 -11.830 1.00 51.30 N ATOM 320 CA TYR A 25 -1.276 5.990 -10.700 1.00 4.23 C ATOM 321 C TYR A 25 -1.838 6.738 -9.500 1.00 51.10 C ATOM 322 O TYR A 25 -1.585 6.367 -8.354 1.00 34.30 O ATOM 323 CB TYR A 25 0.077 6.584 -11.100 1.00 72.50 C ATOM 324 CG TYR A 25 0.694 5.928 -12.310 1.00 53.30 C ATOM 325 CD1 TYR A 25 0.671 4.547 -12.470 1.00 51.10 C ATOM 326 CD2 TYR A 25 1.300 6.689 -13.300 1.00 43.40 C ATOM 327 CE1 TYR A 25 1.234 3.944 -13.580 1.00 43.30 C ATOM 328 CE2 TYR A 25 1.865 6.093 -14.420 1.00 23.20 C ATOM 329 CZ TYR A 25 1.829 4.721 -14.550 1.00 62.20 C ATOM 330 OH TYR A 25 2.391 4.124 -15.650 1.00 62.50 O ATOM 0 H TYR A 25 -1.916 6.670 -12.584 1.00 51.30 H new ATOM 0 HA TYR A 25 -1.141 4.945 -10.420 1.00 4.23 H new ATOM 0 HB2 TYR A 25 -0.048 7.648 -11.299 1.00 72.50 H new ATOM 0 HB3 TYR A 25 0.765 6.496 -10.259 1.00 72.50 H new ATOM 0 HD1 TYR A 25 0.205 3.934 -11.713 1.00 51.10 H new ATOM 0 HD2 TYR A 25 1.333 7.764 -13.198 1.00 43.40 H new ATOM 0 HE1 TYR A 25 1.207 2.870 -13.686 1.00 43.30 H new ATOM 0 HE2 TYR A 25 2.329 6.700 -15.183 1.00 23.20 H new ATOM 0 HH TYR A 25 2.767 4.811 -16.239 1.00 62.50 H new ATOM 340 N GLU A 26 -2.600 7.793 -9.767 1.00 10.40 N ATOM 341 CA GLU A 26 -3.197 8.594 -8.704 1.00 1.12 C ATOM 342 C GLU A 26 -4.120 7.745 -7.837 1.00 44.40 C ATOM 343 O GLU A 26 -3.908 7.613 -6.631 1.00 63.20 O ATOM 344 CB GLU A 26 -3.975 9.769 -9.298 1.00 61.10 C ATOM 345 CG GLU A 26 -4.334 10.838 -8.279 1.00 14.20 C ATOM 346 CD GLU A 26 -3.265 11.905 -8.152 1.00 24.10 C ATOM 347 OE1 GLU A 26 -2.248 11.649 -7.473 1.00 71.10 O ATOM 348 OE2 GLU A 26 -3.443 12.997 -8.732 1.00 12.20 O ATOM 0 H GLU A 26 -2.819 8.114 -10.710 1.00 10.40 H new ATOM 0 HA GLU A 26 -2.392 8.979 -8.078 1.00 1.12 H new ATOM 0 HB2 GLU A 26 -3.383 10.221 -10.093 1.00 61.10 H new ATOM 0 HB3 GLU A 26 -4.890 9.394 -9.756 1.00 61.10 H new ATOM 0 HG2 GLU A 26 -5.276 11.305 -8.565 1.00 14.20 H new ATOM 0 HG3 GLU A 26 -4.492 10.370 -7.307 1.00 14.20 H new ATOM 355 N GLU A 27 -5.146 7.171 -8.458 1.00 25.10 N ATOM 356 CA GLU A 27 -6.102 6.335 -7.741 1.00 22.40 C ATOM 357 C GLU A 27 -5.428 5.080 -7.197 1.00 42.10 C ATOM 358 O GLU A 27 -5.763 4.604 -6.112 1.00 73.10 O ATOM 359 CB GLU A 27 -7.261 5.946 -8.661 1.00 3.42 C ATOM 360 CG GLU A 27 -8.528 5.562 -7.915 1.00 44.30 C ATOM 361 CD GLU A 27 -9.778 6.136 -8.553 1.00 54.30 C ATOM 362 OE1 GLU A 27 -9.691 7.229 -9.152 1.00 31.20 O ATOM 363 OE2 GLU A 27 -10.840 5.492 -8.455 1.00 4.35 O ATOM 0 H GLU A 27 -5.336 7.270 -9.455 1.00 25.10 H new ATOM 0 HA GLU A 27 -6.490 6.910 -6.901 1.00 22.40 H new ATOM 0 HB2 GLU A 27 -7.481 6.780 -9.327 1.00 3.42 H new ATOM 0 HB3 GLU A 27 -6.951 5.110 -9.288 1.00 3.42 H new ATOM 0 HG2 GLU A 27 -8.609 4.476 -7.880 1.00 44.30 H new ATOM 0 HG3 GLU A 27 -8.458 5.910 -6.885 1.00 44.30 H new ATOM 370 N ALA A 28 -4.475 4.549 -7.957 1.00 23.40 N ATOM 371 CA ALA A 28 -3.753 3.349 -7.550 1.00 43.10 C ATOM 372 C ALA A 28 -3.033 3.565 -6.223 1.00 65.40 C ATOM 373 O ALA A 28 -3.106 2.728 -5.323 1.00 21.10 O ATOM 374 CB ALA A 28 -2.763 2.939 -8.630 1.00 53.00 C ATOM 0 H ALA A 28 -4.185 4.931 -8.857 1.00 23.40 H new ATOM 0 HA ALA A 28 -4.478 2.547 -7.413 1.00 43.10 H new ATOM 0 HB1 ALA A 28 -2.231 2.042 -8.314 1.00 53.00 H new ATOM 0 HB2 ALA A 28 -3.299 2.735 -9.557 1.00 53.00 H new ATOM 0 HB3 ALA A 28 -2.049 3.746 -8.794 1.00 53.00 H new ATOM 380 N LEU A 29 -2.338 4.691 -6.110 1.00 65.10 N ATOM 381 CA LEU A 29 -1.604 5.017 -4.892 1.00 14.20 C ATOM 382 C LEU A 29 -2.549 5.126 -3.700 1.00 63.30 C ATOM 383 O LEU A 29 -2.225 4.687 -2.596 1.00 32.10 O ATOM 384 CB LEU A 29 -0.834 6.328 -5.072 1.00 45.10 C ATOM 385 CG LEU A 29 0.181 6.647 -3.970 1.00 3.20 C ATOM 386 CD1 LEU A 29 -0.530 7.082 -2.698 1.00 62.10 C ATOM 387 CD2 LEU A 29 1.073 5.444 -3.699 1.00 13.40 C ATOM 0 H LEU A 29 -2.267 5.393 -6.846 1.00 65.10 H new ATOM 0 HA LEU A 29 -0.896 4.212 -4.697 1.00 14.20 H new ATOM 0 HB2 LEU A 29 -0.310 6.294 -6.027 1.00 45.10 H new ATOM 0 HB3 LEU A 29 -1.551 7.147 -5.131 1.00 45.10 H new ATOM 0 HG LEU A 29 0.809 7.470 -4.311 1.00 3.20 H new ATOM 0 HD11 LEU A 29 0.208 7.304 -1.927 1.00 62.10 H new ATOM 0 HD12 LEU A 29 -1.124 7.973 -2.900 1.00 62.10 H new ATOM 0 HD13 LEU A 29 -1.184 6.280 -2.354 1.00 62.10 H new ATOM 0 HD21 LEU A 29 1.787 5.690 -2.913 1.00 13.40 H new ATOM 0 HD22 LEU A 29 0.460 4.601 -3.381 1.00 13.40 H new ATOM 0 HD23 LEU A 29 1.612 5.178 -4.609 1.00 13.40 H new ATOM 399 N ARG A 30 -3.719 5.712 -3.929 1.00 55.00 N ATOM 400 CA ARG A 30 -4.711 5.877 -2.873 1.00 50.50 C ATOM 401 C ARG A 30 -5.140 4.525 -2.313 1.00 44.20 C ATOM 402 O ARG A 30 -5.121 4.309 -1.102 1.00 64.10 O ATOM 403 CB ARG A 30 -5.931 6.632 -3.404 1.00 61.40 C ATOM 404 CG ARG A 30 -5.594 7.986 -4.008 1.00 61.10 C ATOM 405 CD ARG A 30 -6.670 9.016 -3.703 1.00 71.20 C ATOM 406 NE ARG A 30 -6.480 10.248 -4.464 1.00 1.15 N ATOM 407 CZ ARG A 30 -7.056 11.407 -4.154 1.00 44.30 C ATOM 408 NH1 ARG A 30 -7.858 11.497 -3.101 1.00 5.14 N ATOM 409 NH2 ARG A 30 -6.829 12.480 -4.900 1.00 33.30 N ATOM 0 H ARG A 30 -4.004 6.081 -4.836 1.00 55.00 H new ATOM 0 HA ARG A 30 -4.256 6.455 -2.069 1.00 50.50 H new ATOM 0 HB2 ARG A 30 -6.426 6.020 -4.158 1.00 61.40 H new ATOM 0 HB3 ARG A 30 -6.643 6.773 -2.591 1.00 61.40 H new ATOM 0 HG2 ARG A 30 -4.637 8.332 -3.617 1.00 61.10 H new ATOM 0 HG3 ARG A 30 -5.480 7.886 -5.087 1.00 61.10 H new ATOM 0 HD2 ARG A 30 -7.649 8.596 -3.932 1.00 71.20 H new ATOM 0 HD3 ARG A 30 -6.662 9.244 -2.637 1.00 71.20 H new ATOM 0 HE ARG A 30 -5.870 10.218 -5.281 1.00 1.15 H new ATOM 0 HH11 ARG A 30 -8.036 10.675 -2.524 1.00 5.14 H new ATOM 0 HH12 ARG A 30 -8.296 12.388 -2.869 1.00 5.14 H new ATOM 0 HH21 ARG A 30 -6.213 12.417 -5.711 1.00 33.30 H new ATOM 0 HH22 ARG A 30 -7.270 13.369 -4.663 1.00 33.30 H new ATOM 423 N LEU A 31 -5.526 3.618 -3.204 1.00 75.20 N ATOM 424 CA LEU A 31 -5.960 2.285 -2.799 1.00 1.21 C ATOM 425 C LEU A 31 -4.770 1.433 -2.368 1.00 21.20 C ATOM 426 O LEU A 31 -4.896 0.569 -1.501 1.00 34.20 O ATOM 427 CB LEU A 31 -6.705 1.599 -3.946 1.00 3.13 C ATOM 428 CG LEU A 31 -8.075 2.195 -4.276 1.00 41.50 C ATOM 429 CD1 LEU A 31 -8.374 2.054 -5.760 1.00 22.30 C ATOM 430 CD2 LEU A 31 -9.160 1.526 -3.445 1.00 32.00 C ATOM 0 H LEU A 31 -5.547 3.781 -4.211 1.00 75.20 H new ATOM 0 HA LEU A 31 -6.634 2.391 -1.949 1.00 1.21 H new ATOM 0 HB2 LEU A 31 -6.083 1.641 -4.840 1.00 3.13 H new ATOM 0 HB3 LEU A 31 -6.834 0.546 -3.697 1.00 3.13 H new ATOM 0 HG LEU A 31 -8.059 3.257 -4.029 1.00 41.50 H new ATOM 0 HD11 LEU A 31 -9.352 2.483 -5.976 1.00 22.30 H new ATOM 0 HD12 LEU A 31 -7.612 2.579 -6.336 1.00 22.30 H new ATOM 0 HD13 LEU A 31 -8.372 0.999 -6.033 1.00 22.30 H new ATOM 0 HD21 LEU A 31 -10.128 1.962 -3.692 1.00 32.00 H new ATOM 0 HD22 LEU A 31 -9.177 0.458 -3.661 1.00 32.00 H new ATOM 0 HD23 LEU A 31 -8.953 1.679 -2.386 1.00 32.00 H new ATOM 442 N TYR A 32 -3.617 1.683 -2.980 1.00 23.50 N ATOM 443 CA TYR A 32 -2.405 0.938 -2.659 1.00 74.20 C ATOM 444 C TYR A 32 -2.001 1.156 -1.205 1.00 21.50 C ATOM 445 O TYR A 32 -1.762 0.200 -0.467 1.00 3.24 O ATOM 446 CB TYR A 32 -1.263 1.357 -3.587 1.00 70.20 C ATOM 447 CG TYR A 32 -1.158 0.515 -4.838 1.00 23.40 C ATOM 448 CD1 TYR A 32 -1.251 -0.870 -4.776 1.00 44.20 C ATOM 449 CD2 TYR A 32 -0.966 1.105 -6.081 1.00 72.40 C ATOM 450 CE1 TYR A 32 -1.156 -1.643 -5.918 1.00 50.30 C ATOM 451 CE2 TYR A 32 -0.870 0.339 -7.227 1.00 73.30 C ATOM 452 CZ TYR A 32 -0.965 -1.034 -7.140 1.00 5.40 C ATOM 453 OH TYR A 32 -0.869 -1.800 -8.279 1.00 20.20 O ATOM 0 H TYR A 32 -3.496 2.395 -3.700 1.00 23.50 H new ATOM 0 HA TYR A 32 -2.611 -0.122 -2.804 1.00 74.20 H new ATOM 0 HB2 TYR A 32 -1.402 2.400 -3.872 1.00 70.20 H new ATOM 0 HB3 TYR A 32 -0.322 1.299 -3.040 1.00 70.20 H new ATOM 0 HD1 TYR A 32 -1.400 -1.350 -3.820 1.00 44.20 H new ATOM 0 HD2 TYR A 32 -0.891 2.180 -6.153 1.00 72.40 H new ATOM 0 HE1 TYR A 32 -1.231 -2.718 -5.853 1.00 50.30 H new ATOM 0 HE2 TYR A 32 -0.721 0.813 -8.186 1.00 73.30 H new ATOM 0 HH TYR A 32 -1.398 -2.617 -8.169 1.00 20.20 H new ATOM 463 N GLN A 33 -1.926 2.419 -0.800 1.00 42.20 N ATOM 464 CA GLN A 33 -1.551 2.763 0.567 1.00 20.10 C ATOM 465 C GLN A 33 -2.532 2.163 1.568 1.00 52.40 C ATOM 466 O GLN A 33 -2.130 1.517 2.536 1.00 33.10 O ATOM 467 CB GLN A 33 -1.496 4.282 0.736 1.00 22.20 C ATOM 468 CG GLN A 33 -0.126 4.877 0.455 1.00 3.14 C ATOM 469 CD GLN A 33 -0.142 6.393 0.427 1.00 21.40 C ATOM 470 OE1 GLN A 33 -1.046 7.025 0.973 1.00 1.33 O ATOM 471 NE2 GLN A 33 0.860 6.984 -0.213 1.00 52.10 N ATOM 0 H GLN A 33 -2.120 3.222 -1.399 1.00 42.20 H new ATOM 0 HA GLN A 33 -0.562 2.347 0.761 1.00 20.10 H new ATOM 0 HB2 GLN A 33 -2.226 4.740 0.068 1.00 22.20 H new ATOM 0 HB3 GLN A 33 -1.792 4.537 1.754 1.00 22.20 H new ATOM 0 HG2 GLN A 33 0.576 4.539 1.217 1.00 3.14 H new ATOM 0 HG3 GLN A 33 0.239 4.504 -0.502 1.00 3.14 H new ATOM 0 HE21 GLN A 33 1.588 6.420 -0.651 1.00 52.10 H new ATOM 0 HE22 GLN A 33 0.901 8.002 -0.266 1.00 52.10 H new ATOM 480 N HIS A 34 -3.821 2.380 1.329 1.00 24.50 N ATOM 481 CA HIS A 34 -4.860 1.860 2.210 1.00 4.44 C ATOM 482 C HIS A 34 -4.804 0.337 2.279 1.00 34.00 C ATOM 483 O HIS A 34 -5.108 -0.259 3.312 1.00 20.20 O ATOM 484 CB HIS A 34 -6.240 2.309 1.726 1.00 30.30 C ATOM 485 CG HIS A 34 -7.193 2.619 2.839 1.00 2.31 C ATOM 486 ND1 HIS A 34 -8.225 3.526 2.716 1.00 63.40 N ATOM 487 CD2 HIS A 34 -7.267 2.137 4.102 1.00 35.00 C ATOM 488 CE1 HIS A 34 -8.891 3.588 3.855 1.00 4.22 C ATOM 489 NE2 HIS A 34 -8.331 2.755 4.712 1.00 11.40 N ATOM 0 H HIS A 34 -4.171 2.912 0.533 1.00 24.50 H new ATOM 0 HA HIS A 34 -4.685 2.258 3.210 1.00 4.44 H new ATOM 0 HB2 HIS A 34 -6.126 3.193 1.099 1.00 30.30 H new ATOM 0 HB3 HIS A 34 -6.668 1.527 1.099 1.00 30.30 H new ATOM 0 HD2 HIS A 34 -6.611 1.403 4.547 1.00 35.00 H new ATOM 0 HE1 HIS A 34 -9.749 4.214 4.052 1.00 4.22 H new ATOM 0 HE2 HIS A 34 -8.638 2.596 5.671 1.00 11.40 H new ATOM 498 N ALA A 35 -4.413 -0.286 1.172 1.00 54.20 N ATOM 499 CA ALA A 35 -4.316 -1.739 1.107 1.00 11.30 C ATOM 500 C ALA A 35 -3.225 -2.259 2.036 1.00 4.13 C ATOM 501 O ALA A 35 -3.487 -3.067 2.927 1.00 63.20 O ATOM 502 CB ALA A 35 -4.052 -2.186 -0.323 1.00 43.20 C ATOM 0 H ALA A 35 -4.158 0.193 0.308 1.00 54.20 H new ATOM 0 HA ALA A 35 -5.267 -2.157 1.437 1.00 11.30 H new ATOM 0 HB1 ALA A 35 -3.982 -3.273 -0.357 1.00 43.20 H new ATOM 0 HB2 ALA A 35 -4.869 -1.855 -0.964 1.00 43.20 H new ATOM 0 HB3 ALA A 35 -3.116 -1.751 -0.673 1.00 43.20 H new ATOM 508 N VAL A 36 -1.999 -1.791 1.821 1.00 50.30 N ATOM 509 CA VAL A 36 -0.867 -2.210 2.640 1.00 2.31 C ATOM 510 C VAL A 36 -1.093 -1.865 4.108 1.00 54.00 C ATOM 511 O VAL A 36 -0.664 -2.596 5.000 1.00 2.12 O ATOM 512 CB VAL A 36 0.442 -1.552 2.166 1.00 24.30 C ATOM 513 CG1 VAL A 36 1.635 -2.149 2.895 1.00 34.10 C ATOM 514 CG2 VAL A 36 0.600 -1.700 0.660 1.00 61.20 C ATOM 0 H VAL A 36 -1.765 -1.122 1.087 1.00 50.30 H new ATOM 0 HA VAL A 36 -0.782 -3.291 2.533 1.00 2.31 H new ATOM 0 HB VAL A 36 0.397 -0.489 2.401 1.00 24.30 H new ATOM 0 HG11 VAL A 36 2.551 -1.671 2.546 1.00 34.10 H new ATOM 0 HG12 VAL A 36 1.526 -1.985 3.967 1.00 34.10 H new ATOM 0 HG13 VAL A 36 1.685 -3.219 2.695 1.00 34.10 H new ATOM 0 HG21 VAL A 36 1.531 -1.229 0.344 1.00 61.20 H new ATOM 0 HG22 VAL A 36 0.622 -2.758 0.399 1.00 61.20 H new ATOM 0 HG23 VAL A 36 -0.239 -1.219 0.157 1.00 61.20 H new ATOM 524 N GLU A 37 -1.768 -0.747 4.351 1.00 10.20 N ATOM 525 CA GLU A 37 -2.051 -0.305 5.712 1.00 64.20 C ATOM 526 C GLU A 37 -2.885 -1.341 6.458 1.00 31.00 C ATOM 527 O GLU A 37 -2.555 -1.728 7.579 1.00 23.20 O ATOM 528 CB GLU A 37 -2.783 1.038 5.693 1.00 25.30 C ATOM 529 CG GLU A 37 -2.374 1.969 6.823 1.00 32.40 C ATOM 530 CD GLU A 37 -3.393 2.004 7.946 1.00 13.30 C ATOM 531 OE1 GLU A 37 -4.559 2.363 7.678 1.00 72.20 O ATOM 532 OE2 GLU A 37 -3.024 1.673 9.092 1.00 23.20 O ATOM 0 H GLU A 37 -2.129 -0.130 3.624 1.00 10.20 H new ATOM 0 HA GLU A 37 -1.101 -0.186 6.233 1.00 64.20 H new ATOM 0 HB2 GLU A 37 -2.594 1.532 4.740 1.00 25.30 H new ATOM 0 HB3 GLU A 37 -3.856 0.858 5.752 1.00 25.30 H new ATOM 0 HG2 GLU A 37 -1.411 1.650 7.221 1.00 32.40 H new ATOM 0 HG3 GLU A 37 -2.239 2.976 6.428 1.00 32.40 H new ATOM 539 N TYR A 38 -3.968 -1.787 5.828 1.00 62.30 N ATOM 540 CA TYR A 38 -4.849 -2.779 6.433 1.00 22.20 C ATOM 541 C TYR A 38 -4.105 -4.086 6.687 1.00 24.40 C ATOM 542 O TYR A 38 -4.364 -4.778 7.671 1.00 24.10 O ATOM 543 CB TYR A 38 -6.059 -3.033 5.531 1.00 33.00 C ATOM 544 CG TYR A 38 -7.256 -2.171 5.865 1.00 3.35 C ATOM 545 CD1 TYR A 38 -7.994 -2.391 7.021 1.00 65.30 C ATOM 546 CD2 TYR A 38 -7.647 -1.137 5.024 1.00 43.30 C ATOM 547 CE1 TYR A 38 -9.088 -1.605 7.330 1.00 52.20 C ATOM 548 CE2 TYR A 38 -8.740 -0.347 5.326 1.00 73.30 C ATOM 549 CZ TYR A 38 -9.457 -0.585 6.479 1.00 75.20 C ATOM 550 OH TYR A 38 -10.540 0.199 6.783 1.00 24.30 O ATOM 0 H TYR A 38 -4.256 -1.477 4.900 1.00 62.30 H new ATOM 0 HA TYR A 38 -5.193 -2.388 7.390 1.00 22.20 H new ATOM 0 HB2 TYR A 38 -5.772 -2.856 4.494 1.00 33.00 H new ATOM 0 HB3 TYR A 38 -6.345 -4.082 5.608 1.00 33.00 H new ATOM 0 HD1 TYR A 38 -7.708 -3.190 7.690 1.00 65.30 H new ATOM 0 HD2 TYR A 38 -7.088 -0.947 4.120 1.00 43.30 H new ATOM 0 HE1 TYR A 38 -9.651 -1.789 8.233 1.00 52.20 H new ATOM 0 HE2 TYR A 38 -9.031 0.453 4.662 1.00 73.30 H new ATOM 0 HH TYR A 38 -10.664 0.872 6.081 1.00 24.30 H new ATOM 560 N PHE A 39 -3.179 -4.417 5.793 1.00 43.30 N ATOM 561 CA PHE A 39 -2.397 -5.641 5.921 1.00 1.42 C ATOM 562 C PHE A 39 -1.561 -5.622 7.197 1.00 21.10 C ATOM 563 O PHE A 39 -1.596 -6.565 7.987 1.00 24.50 O ATOM 564 CB PHE A 39 -1.487 -5.819 4.704 1.00 41.30 C ATOM 565 CG PHE A 39 -2.110 -6.628 3.602 1.00 72.20 C ATOM 566 CD1 PHE A 39 -2.752 -7.824 3.882 1.00 10.20 C ATOM 567 CD2 PHE A 39 -2.052 -6.194 2.288 1.00 31.20 C ATOM 568 CE1 PHE A 39 -3.326 -8.571 2.870 1.00 2.22 C ATOM 569 CE2 PHE A 39 -2.624 -6.937 1.272 1.00 52.50 C ATOM 570 CZ PHE A 39 -3.262 -8.127 1.564 1.00 64.20 C ATOM 0 H PHE A 39 -2.952 -3.855 4.973 1.00 43.30 H new ATOM 0 HA PHE A 39 -3.090 -6.481 5.974 1.00 1.42 H new ATOM 0 HB2 PHE A 39 -1.218 -4.837 4.315 1.00 41.30 H new ATOM 0 HB3 PHE A 39 -0.562 -6.302 5.020 1.00 41.30 H new ATOM 0 HD1 PHE A 39 -2.804 -8.176 4.902 1.00 10.20 H new ATOM 0 HD2 PHE A 39 -1.554 -5.264 2.054 1.00 31.20 H new ATOM 0 HE1 PHE A 39 -3.824 -9.501 3.101 1.00 2.22 H new ATOM 0 HE2 PHE A 39 -2.572 -6.588 0.251 1.00 52.50 H new ATOM 0 HZ PHE A 39 -3.710 -8.709 0.772 1.00 64.20 H new ATOM 580 N LEU A 40 -0.811 -4.542 7.391 1.00 31.00 N ATOM 581 CA LEU A 40 0.033 -4.400 8.571 1.00 22.30 C ATOM 582 C LEU A 40 -0.802 -4.447 9.847 1.00 15.50 C ATOM 583 O LEU A 40 -0.402 -5.052 10.841 1.00 53.00 O ATOM 584 CB LEU A 40 0.816 -3.087 8.509 1.00 70.40 C ATOM 585 CG LEU A 40 1.673 -2.903 7.255 1.00 74.40 C ATOM 586 CD1 LEU A 40 2.257 -1.500 7.209 1.00 21.20 C ATOM 587 CD2 LEU A 40 2.780 -3.946 7.209 1.00 44.00 C ATOM 0 H LEU A 40 -0.771 -3.753 6.746 1.00 31.00 H new ATOM 0 HA LEU A 40 0.735 -5.234 8.587 1.00 22.30 H new ATOM 0 HB2 LEU A 40 0.111 -2.258 8.574 1.00 70.40 H new ATOM 0 HB3 LEU A 40 1.462 -3.025 9.385 1.00 70.40 H new ATOM 0 HG LEU A 40 1.037 -3.038 6.380 1.00 74.40 H new ATOM 0 HD11 LEU A 40 2.863 -1.388 6.310 1.00 21.20 H new ATOM 0 HD12 LEU A 40 1.448 -0.769 7.195 1.00 21.20 H new ATOM 0 HD13 LEU A 40 2.879 -1.336 8.089 1.00 21.20 H new ATOM 0 HD21 LEU A 40 3.380 -3.800 6.311 1.00 44.00 H new ATOM 0 HD22 LEU A 40 3.414 -3.843 8.089 1.00 44.00 H new ATOM 0 HD23 LEU A 40 2.340 -4.943 7.194 1.00 44.00 H new ATOM 599 N HIS A 41 -1.965 -3.804 9.810 1.00 70.20 N ATOM 600 CA HIS A 41 -2.857 -3.773 10.963 1.00 12.40 C ATOM 601 C HIS A 41 -3.295 -5.181 11.351 1.00 63.10 C ATOM 602 O HIS A 41 -3.532 -5.468 12.524 1.00 55.00 O ATOM 603 CB HIS A 41 -4.084 -2.910 10.661 1.00 61.00 C ATOM 604 CG HIS A 41 -4.561 -2.116 11.838 1.00 41.10 C ATOM 605 ND1 HIS A 41 -4.090 -0.855 12.137 1.00 22.10 N ATOM 606 CD2 HIS A 41 -5.475 -2.410 12.793 1.00 24.20 C ATOM 607 CE1 HIS A 41 -4.692 -0.409 13.225 1.00 32.30 C ATOM 608 NE2 HIS A 41 -5.537 -1.333 13.642 1.00 14.20 N ATOM 0 H HIS A 41 -2.311 -3.298 8.995 1.00 70.20 H new ATOM 0 HA HIS A 41 -2.312 -3.338 11.801 1.00 12.40 H new ATOM 0 HB2 HIS A 41 -3.846 -2.228 9.845 1.00 61.00 H new ATOM 0 HB3 HIS A 41 -4.893 -3.552 10.314 1.00 61.00 H new ATOM 0 HD2 HIS A 41 -6.048 -3.322 12.872 1.00 24.20 H new ATOM 0 HE1 HIS A 41 -4.522 0.549 13.694 1.00 32.30 H new ATOM 0 HE2 HIS A 41 -6.139 -1.259 14.462 1.00 14.20 H new ATOM 617 N ALA A 42 -3.400 -6.057 10.357 1.00 12.10 N ATOM 618 CA ALA A 42 -3.809 -7.436 10.594 1.00 60.30 C ATOM 619 C ALA A 42 -2.685 -8.239 11.242 1.00 0.22 C ATOM 620 O ALA A 42 -2.936 -9.164 12.014 1.00 21.40 O ATOM 621 CB ALA A 42 -4.241 -8.089 9.290 1.00 23.30 C ATOM 0 H ALA A 42 -3.207 -5.836 9.380 1.00 12.10 H new ATOM 0 HA ALA A 42 -4.655 -7.425 11.281 1.00 60.30 H new ATOM 0 HB1 ALA A 42 -4.544 -9.118 9.481 1.00 23.30 H new ATOM 0 HB2 ALA A 42 -5.080 -7.537 8.867 1.00 23.30 H new ATOM 0 HB3 ALA A 42 -3.409 -8.081 8.586 1.00 23.30 H new ATOM 627 N ILE A 43 -1.447 -7.877 10.924 1.00 55.30 N ATOM 628 CA ILE A 43 -0.285 -8.563 11.476 1.00 54.10 C ATOM 629 C ILE A 43 -0.060 -8.176 12.934 1.00 20.20 C ATOM 630 O ILE A 43 0.084 -9.039 13.800 1.00 21.40 O ATOM 631 CB ILE A 43 0.990 -8.248 10.670 1.00 63.10 C ATOM 632 CG1 ILE A 43 0.742 -8.462 9.176 1.00 51.10 C ATOM 633 CG2 ILE A 43 2.147 -9.112 11.149 1.00 41.30 C ATOM 634 CD1 ILE A 43 1.750 -7.762 8.290 1.00 64.20 C ATOM 0 H ILE A 43 -1.222 -7.113 10.287 1.00 55.30 H new ATOM 0 HA ILE A 43 -0.490 -9.632 11.414 1.00 54.10 H new ATOM 0 HB ILE A 43 1.253 -7.202 10.829 1.00 63.10 H new ATOM 0 HG12 ILE A 43 0.762 -9.531 8.962 1.00 51.10 H new ATOM 0 HG13 ILE A 43 -0.258 -8.106 8.927 1.00 51.10 H new ATOM 0 HG21 ILE A 43 3.040 -8.878 10.570 1.00 41.30 H new ATOM 0 HG22 ILE A 43 2.336 -8.914 12.204 1.00 41.30 H new ATOM 0 HG23 ILE A 43 1.895 -10.164 11.017 1.00 41.30 H new ATOM 0 HD11 ILE A 43 1.513 -7.957 7.244 1.00 64.20 H new ATOM 0 HD12 ILE A 43 1.714 -6.689 8.476 1.00 64.20 H new ATOM 0 HD13 ILE A 43 2.750 -8.135 8.511 1.00 64.20 H new ATOM 646 N LYS A 44 -0.031 -6.874 13.197 1.00 3.22 N ATOM 647 CA LYS A 44 0.176 -6.373 14.551 1.00 63.30 C ATOM 648 C LYS A 44 -0.923 -6.864 15.488 1.00 63.40 C ATOM 649 O LYS A 44 -0.691 -7.070 16.679 1.00 4.54 O ATOM 650 CB LYS A 44 0.216 -4.844 14.550 1.00 62.40 C ATOM 651 CG LYS A 44 -0.987 -4.204 13.878 1.00 34.20 C ATOM 652 CD LYS A 44 -1.308 -2.847 14.484 1.00 63.00 C ATOM 653 CE LYS A 44 -0.746 -1.714 13.643 1.00 43.40 C ATOM 654 NZ LYS A 44 -0.256 -0.587 14.484 1.00 12.20 N ATOM 0 H LYS A 44 -0.148 -6.147 12.491 1.00 3.22 H new ATOM 0 HA LYS A 44 1.131 -6.755 14.911 1.00 63.30 H new ATOM 0 HB2 LYS A 44 0.278 -4.490 15.579 1.00 62.40 H new ATOM 0 HB3 LYS A 44 1.123 -4.513 14.044 1.00 62.40 H new ATOM 0 HG2 LYS A 44 -0.792 -4.090 12.812 1.00 34.20 H new ATOM 0 HG3 LYS A 44 -1.851 -4.861 13.975 1.00 34.20 H new ATOM 0 HD2 LYS A 44 -2.388 -2.734 14.573 1.00 63.00 H new ATOM 0 HD3 LYS A 44 -0.897 -2.791 15.492 1.00 63.00 H new ATOM 0 HE2 LYS A 44 0.072 -2.090 13.028 1.00 43.40 H new ATOM 0 HE3 LYS A 44 -1.516 -1.351 12.962 1.00 43.40 H new ATOM 0 HZ1 LYS A 44 0.119 0.165 13.872 1.00 12.20 H new ATOM 0 HZ2 LYS A 44 -1.041 -0.211 15.053 1.00 12.20 H new ATOM 0 HZ3 LYS A 44 0.497 -0.927 15.116 1.00 12.20 H new ATOM 668 N TYR A 45 -2.120 -7.050 14.941 1.00 33.30 N ATOM 669 CA TYR A 45 -3.255 -7.517 15.728 1.00 24.30 C ATOM 670 C TYR A 45 -3.205 -9.031 15.910 1.00 54.10 C ATOM 671 O TYR A 45 -3.028 -9.527 17.022 1.00 63.40 O ATOM 672 CB TYR A 45 -4.569 -7.115 15.056 1.00 3.41 C ATOM 673 CG TYR A 45 -5.100 -5.776 15.515 1.00 61.00 C ATOM 674 CD1 TYR A 45 -4.251 -4.688 15.675 1.00 1.23 C ATOM 675 CD2 TYR A 45 -6.451 -5.600 15.788 1.00 12.20 C ATOM 676 CE1 TYR A 45 -4.733 -3.463 16.095 1.00 75.30 C ATOM 677 CE2 TYR A 45 -6.941 -4.378 16.208 1.00 42.30 C ATOM 678 CZ TYR A 45 -6.078 -3.313 16.360 1.00 21.40 C ATOM 679 OH TYR A 45 -6.562 -2.094 16.778 1.00 1.11 O ATOM 0 H TYR A 45 -2.329 -6.885 13.956 1.00 33.30 H new ATOM 0 HA TYR A 45 -3.200 -7.049 16.711 1.00 24.30 H new ATOM 0 HB2 TYR A 45 -4.421 -7.087 13.976 1.00 3.41 H new ATOM 0 HB3 TYR A 45 -5.318 -7.881 15.255 1.00 3.41 H new ATOM 0 HD1 TYR A 45 -3.197 -4.802 15.468 1.00 1.23 H new ATOM 0 HD2 TYR A 45 -7.129 -6.432 15.670 1.00 12.20 H new ATOM 0 HE1 TYR A 45 -4.060 -2.627 16.215 1.00 75.30 H new ATOM 0 HE2 TYR A 45 -7.994 -4.258 16.416 1.00 42.30 H new ATOM 0 HH TYR A 45 -7.530 -2.157 16.920 1.00 1.11 H new ATOM 689 N GLU A 46 -3.363 -9.759 14.809 1.00 54.30 N ATOM 690 CA GLU A 46 -3.335 -11.210 14.847 1.00 12.30 C ATOM 691 C GLU A 46 -2.578 -11.770 13.648 1.00 13.20 C ATOM 692 O GLU A 46 -2.996 -11.600 12.502 1.00 3.22 O ATOM 693 CB GLU A 46 -4.760 -11.770 14.872 1.00 5.21 C ATOM 694 CG GLU A 46 -4.829 -13.250 15.221 1.00 21.30 C ATOM 695 CD GLU A 46 -6.154 -13.640 15.846 1.00 71.10 C ATOM 696 OE1 GLU A 46 -6.849 -12.740 16.371 1.00 64.10 O ATOM 697 OE2 GLU A 46 -6.497 -14.840 15.809 1.00 14.30 O ATOM 0 H GLU A 46 -3.512 -9.364 13.881 1.00 54.30 H new ATOM 0 HA GLU A 46 -2.817 -11.514 15.757 1.00 12.30 H new ATOM 0 HB2 GLU A 46 -5.350 -11.207 15.596 1.00 5.21 H new ATOM 0 HB3 GLU A 46 -5.220 -11.614 13.896 1.00 5.21 H new ATOM 0 HG2 GLU A 46 -4.669 -13.840 14.319 1.00 21.30 H new ATOM 0 HG3 GLU A 46 -4.020 -13.495 15.910 1.00 21.30 H new ATOM 704 N ALA A 47 -1.464 -12.440 13.919 1.00 75.20 N ATOM 705 CA ALA A 47 -0.649 -13.030 12.863 1.00 22.30 C ATOM 706 C ALA A 47 -0.835 -14.540 12.802 1.00 63.20 C ATOM 707 O ALA A 47 -1.556 -15.120 13.614 1.00 13.00 O ATOM 708 CB ALA A 47 0.818 -12.690 13.076 1.00 40.10 C ATOM 0 H ALA A 47 -1.104 -12.588 14.862 1.00 75.20 H new ATOM 0 HA ALA A 47 -0.976 -12.610 11.912 1.00 22.30 H new ATOM 0 HB1 ALA A 47 1.414 -13.137 12.280 1.00 40.10 H new ATOM 0 HB2 ALA A 47 0.946 -11.608 13.062 1.00 40.10 H new ATOM 0 HB3 ALA A 47 1.146 -13.081 14.039 1.00 40.10 H new ATOM 714 N HIS A 48 -0.182 -15.180 11.833 1.00 0.41 N ATOM 715 CA HIS A 48 -0.276 -16.620 11.666 1.00 63.10 C ATOM 716 C HIS A 48 0.998 -17.310 12.148 1.00 41.30 C ATOM 717 O HIS A 48 0.949 -18.220 12.974 1.00 45.00 O ATOM 718 CB HIS A 48 -0.534 -16.970 10.200 1.00 61.00 C ATOM 719 CG HIS A 48 -1.984 -16.950 9.826 1.00 51.10 C ATOM 720 ND1 HIS A 48 -2.838 -18.010 10.059 1.00 11.30 N ATOM 721 CD2 HIS A 48 -2.731 -15.990 9.232 1.00 13.10 C ATOM 722 CE1 HIS A 48 -4.047 -17.700 9.624 1.00 1.32 C ATOM 723 NE2 HIS A 48 -4.008 -16.480 9.118 1.00 62.40 N ATOM 0 H HIS A 48 0.419 -14.717 11.151 1.00 0.41 H new ATOM 0 HA HIS A 48 -1.111 -16.975 12.270 1.00 63.10 H new ATOM 0 HB2 HIS A 48 0.006 -16.266 9.567 1.00 61.00 H new ATOM 0 HB3 HIS A 48 -0.128 -17.960 9.994 1.00 61.00 H new ATOM 0 HD2 HIS A 48 -2.386 -15.019 8.908 1.00 13.10 H new ATOM 0 HE1 HIS A 48 -4.919 -18.336 9.674 1.00 1.32 H new ATOM 0 HE2 HIS A 48 -4.799 -15.983 8.709 1.00 62.40 H new ATOM 732 N SER A 49 2.137 -16.870 11.626 1.00 33.10 N ATOM 733 CA SER A 49 3.424 -17.440 12.003 1.00 4.34 C ATOM 734 C SER A 49 4.571 -16.680 11.340 1.00 13.40 C ATOM 735 O SER A 49 4.354 -15.690 10.645 1.00 2.44 O ATOM 736 CB SER A 49 3.481 -18.920 11.616 1.00 20.30 C ATOM 737 OG SER A 49 3.034 -19.740 12.679 1.00 14.00 O ATOM 0 H SER A 49 2.195 -16.118 10.939 1.00 33.10 H new ATOM 0 HA SER A 49 3.533 -17.351 13.084 1.00 4.34 H new ATOM 0 HB2 SER A 49 2.864 -19.093 10.734 1.00 20.30 H new ATOM 0 HB3 SER A 49 4.502 -19.190 11.348 1.00 20.30 H new ATOM 0 HG SER A 49 2.099 -19.531 12.883 1.00 14.00 H new ATOM 743 N ASP A 50 5.792 -17.160 11.560 1.00 31.40 N ATOM 744 CA ASP A 50 6.974 -16.530 10.983 1.00 1.34 C ATOM 745 C ASP A 50 6.922 -16.570 9.459 1.00 24.10 C ATOM 746 O ASP A 50 7.185 -15.570 8.794 1.00 41.00 O ATOM 747 CB ASP A 50 8.242 -17.220 11.480 1.00 24.10 C ATOM 748 CG ASP A 50 8.690 -16.710 12.835 1.00 73.40 C ATOM 749 OD1 ASP A 50 7.821 -16.500 13.706 1.00 0.11 O ATOM 750 OD2 ASP A 50 9.910 -16.520 13.025 1.00 30.30 O ATOM 0 H ASP A 50 5.988 -17.981 12.132 1.00 31.40 H new ATOM 0 HA ASP A 50 6.990 -15.488 11.301 1.00 1.34 H new ATOM 0 HB2 ASP A 50 8.067 -18.294 11.540 1.00 24.10 H new ATOM 0 HB3 ASP A 50 9.042 -17.067 10.756 1.00 24.10 H new ATOM 755 N LYS A 51 6.581 -17.730 8.913 1.00 34.50 N ATOM 756 CA LYS A 51 6.495 -17.900 7.467 1.00 13.50 C ATOM 757 C LYS A 51 5.449 -16.960 6.872 1.00 33.40 C ATOM 758 O LYS A 51 5.651 -16.390 5.800 1.00 42.50 O ATOM 759 CB LYS A 51 6.154 -19.350 7.122 1.00 22.10 C ATOM 760 CG LYS A 51 6.476 -19.720 5.684 1.00 1.54 C ATOM 761 CD LYS A 51 6.595 -21.230 5.515 1.00 23.20 C ATOM 762 CE LYS A 51 7.260 -21.590 4.197 1.00 23.20 C ATOM 763 NZ LYS A 51 7.198 -23.050 3.926 1.00 62.10 N ATOM 0 H LYS A 51 6.359 -18.569 9.450 1.00 34.50 H new ATOM 0 HA LYS A 51 7.466 -17.653 7.037 1.00 13.50 H new ATOM 0 HB2 LYS A 51 6.702 -20.013 7.791 1.00 22.10 H new ATOM 0 HB3 LYS A 51 5.093 -19.519 7.304 1.00 22.10 H new ATOM 0 HG2 LYS A 51 5.697 -19.338 5.025 1.00 1.54 H new ATOM 0 HG3 LYS A 51 7.409 -19.243 5.384 1.00 1.54 H new ATOM 0 HD2 LYS A 51 7.172 -21.646 6.341 1.00 23.20 H new ATOM 0 HD3 LYS A 51 5.604 -21.682 5.560 1.00 23.20 H new ATOM 0 HE2 LYS A 51 6.774 -21.049 3.385 1.00 23.20 H new ATOM 0 HE3 LYS A 51 8.301 -21.268 4.216 1.00 23.20 H new ATOM 0 HZ1 LYS A 51 7.662 -23.255 3.018 1.00 62.10 H new ATOM 0 HZ2 LYS A 51 7.684 -23.565 4.687 1.00 62.10 H new ATOM 0 HZ3 LYS A 51 6.204 -23.353 3.883 1.00 62.10 H new ATOM 777 N ALA A 52 4.331 -16.810 7.573 1.00 12.40 N ATOM 778 CA ALA A 52 3.253 -15.940 7.114 1.00 13.00 C ATOM 779 C ALA A 52 3.650 -14.470 7.213 1.00 23.40 C ATOM 780 O ALA A 52 3.387 -13.690 6.303 1.00 42.10 O ATOM 781 CB ALA A 52 1.987 -16.200 7.917 1.00 22.40 C ATOM 0 H ALA A 52 4.147 -17.278 8.460 1.00 12.40 H new ATOM 0 HA ALA A 52 3.060 -16.167 6.065 1.00 13.00 H new ATOM 0 HB1 ALA A 52 1.191 -15.544 7.564 1.00 22.40 H new ATOM 0 HB2 ALA A 52 1.683 -17.239 7.791 1.00 22.40 H new ATOM 0 HB3 ALA A 52 2.178 -16.003 8.972 1.00 22.40 H new ATOM 787 N LYS A 53 4.283 -14.110 8.323 1.00 61.40 N ATOM 788 CA LYS A 53 4.717 -12.740 8.541 1.00 13.30 C ATOM 789 C LYS A 53 5.698 -12.300 7.459 1.00 31.10 C ATOM 790 O LYS A 53 5.747 -11.120 7.090 1.00 53.10 O ATOM 791 CB LYS A 53 5.364 -12.600 9.920 1.00 73.40 C ATOM 792 CG LYS A 53 4.377 -12.250 11.024 1.00 60.20 C ATOM 793 CD LYS A 53 5.005 -11.350 12.074 1.00 52.40 C ATOM 794 CE LYS A 53 5.463 -12.150 13.287 1.00 24.20 C ATOM 795 NZ LYS A 53 4.453 -12.120 14.381 1.00 5.34 N ATOM 0 H LYS A 53 4.506 -14.750 9.085 1.00 61.40 H new ATOM 0 HA LYS A 53 3.839 -12.096 8.493 1.00 13.30 H new ATOM 0 HB2 LYS A 53 5.864 -13.535 10.174 1.00 73.40 H new ATOM 0 HB3 LYS A 53 6.133 -11.829 9.874 1.00 73.40 H new ATOM 0 HG2 LYS A 53 3.508 -11.754 10.592 1.00 60.20 H new ATOM 0 HG3 LYS A 53 4.019 -13.165 11.496 1.00 60.20 H new ATOM 0 HD2 LYS A 53 5.855 -10.822 11.642 1.00 52.40 H new ATOM 0 HD3 LYS A 53 4.285 -10.594 12.385 1.00 52.40 H new ATOM 0 HE2 LYS A 53 5.649 -13.183 12.992 1.00 24.20 H new ATOM 0 HE3 LYS A 53 6.408 -11.747 13.653 1.00 24.20 H new ATOM 0 HZ1 LYS A 53 4.800 -12.675 15.189 1.00 5.34 H new ATOM 0 HZ2 LYS A 53 4.294 -11.137 14.679 1.00 5.34 H new ATOM 0 HZ3 LYS A 53 3.559 -12.527 14.040 1.00 5.34 H new ATOM 809 N GLU A 54 6.478 -13.250 6.954 1.00 35.10 N ATOM 810 CA GLU A 54 7.459 -12.960 5.914 1.00 44.20 C ATOM 811 C GLU A 54 6.774 -12.730 4.570 1.00 42.30 C ATOM 812 O GLU A 54 7.125 -11.810 3.833 1.00 65.20 O ATOM 813 CB GLU A 54 8.464 -14.110 5.798 1.00 14.10 C ATOM 814 CG GLU A 54 9.877 -13.650 5.480 1.00 24.10 C ATOM 815 CD GLU A 54 10.901 -14.750 5.648 1.00 2.52 C ATOM 816 OE1 GLU A 54 10.814 -15.490 6.649 1.00 34.40 O ATOM 817 OE2 GLU A 54 11.790 -14.870 4.779 1.00 32.30 O ATOM 0 H GLU A 54 6.450 -14.226 7.248 1.00 35.10 H new ATOM 0 HA GLU A 54 7.989 -12.049 6.192 1.00 44.20 H new ATOM 0 HB2 GLU A 54 8.474 -14.669 6.734 1.00 14.10 H new ATOM 0 HB3 GLU A 54 8.130 -14.797 5.020 1.00 14.10 H new ATOM 0 HG2 GLU A 54 9.912 -13.280 4.455 1.00 24.10 H new ATOM 0 HG3 GLU A 54 10.138 -12.814 6.130 1.00 24.10 H new ATOM 824 N SER A 55 5.797 -13.570 4.258 1.00 5.45 N ATOM 825 CA SER A 55 5.063 -13.460 3.003 1.00 12.30 C ATOM 826 C SER A 55 4.226 -12.190 2.972 1.00 11.40 C ATOM 827 O SER A 55 4.188 -11.480 1.965 1.00 0.21 O ATOM 828 CB SER A 55 4.162 -14.680 2.805 1.00 62.10 C ATOM 829 OG SER A 55 3.992 -14.980 1.429 1.00 64.30 O ATOM 0 H SER A 55 5.493 -14.337 4.858 1.00 5.45 H new ATOM 0 HA SER A 55 5.789 -13.416 2.191 1.00 12.30 H new ATOM 0 HB2 SER A 55 4.594 -15.540 3.316 1.00 62.10 H new ATOM 0 HB3 SER A 55 3.190 -14.494 3.261 1.00 62.10 H new ATOM 0 HG SER A 55 3.413 -15.765 1.334 1.00 64.30 H new ATOM 835 N ILE A 56 3.556 -11.900 4.083 1.00 20.00 N ATOM 836 CA ILE A 56 2.720 -10.710 4.184 1.00 23.10 C ATOM 837 C ILE A 56 3.569 -9.448 4.202 1.00 71.20 C ATOM 838 O ILE A 56 3.264 -8.474 3.514 1.00 65.30 O ATOM 839 CB ILE A 56 1.841 -10.740 5.450 1.00 74.30 C ATOM 840 CG1 ILE A 56 1.082 -12.070 5.537 1.00 62.40 C ATOM 841 CG2 ILE A 56 0.869 -9.577 5.455 1.00 53.50 C ATOM 842 CD1 ILE A 56 0.743 -12.480 6.954 1.00 32.10 C ATOM 0 H ILE A 56 3.576 -12.474 4.926 1.00 20.00 H new ATOM 0 HA ILE A 56 2.074 -10.703 3.306 1.00 23.10 H new ATOM 0 HB ILE A 56 2.489 -10.648 6.322 1.00 74.30 H new ATOM 0 HG12 ILE A 56 0.161 -11.992 4.960 1.00 62.40 H new ATOM 0 HG13 ILE A 56 1.683 -12.853 5.074 1.00 62.40 H new ATOM 0 HG21 ILE A 56 0.258 -9.617 6.357 1.00 53.50 H new ATOM 0 HG22 ILE A 56 1.424 -8.639 5.434 1.00 53.50 H new ATOM 0 HG23 ILE A 56 0.225 -9.637 4.578 1.00 53.50 H new ATOM 0 HD11 ILE A 56 0.207 -13.429 6.940 1.00 32.10 H new ATOM 0 HD12 ILE A 56 1.661 -12.590 7.530 1.00 32.10 H new ATOM 0 HD13 ILE A 56 0.116 -11.716 7.414 1.00 32.10 H new ATOM 854 N ARG A 57 4.637 -9.469 4.992 1.00 4.52 N ATOM 855 CA ARG A 57 5.532 -8.323 5.099 1.00 4.41 C ATOM 856 C ARG A 57 6.269 -8.085 3.785 1.00 65.20 C ATOM 857 O ARG A 57 6.368 -6.952 3.314 1.00 71.00 O ATOM 858 CB ARG A 57 6.537 -8.537 6.231 1.00 71.00 C ATOM 859 CG ARG A 57 7.494 -7.372 6.424 1.00 75.20 C ATOM 860 CD ARG A 57 8.620 -7.729 7.380 1.00 25.00 C ATOM 861 NE ARG A 57 9.740 -8.368 6.693 1.00 10.00 N ATOM 862 CZ ARG A 57 10.620 -7.713 5.940 1.00 24.50 C ATOM 863 NH1 ARG A 57 10.514 -6.400 5.774 1.00 61.40 N ATOM 864 NH2 ARG A 57 11.608 -8.371 5.350 1.00 61.30 N ATOM 0 H ARG A 57 4.904 -10.267 5.568 1.00 4.52 H new ATOM 0 HA ARG A 57 4.930 -7.442 5.321 1.00 4.41 H new ATOM 0 HB2 ARG A 57 5.994 -8.708 7.160 1.00 71.00 H new ATOM 0 HB3 ARG A 57 7.113 -9.440 6.028 1.00 71.00 H new ATOM 0 HG2 ARG A 57 7.912 -7.080 5.461 1.00 75.20 H new ATOM 0 HG3 ARG A 57 6.948 -6.511 6.809 1.00 75.20 H new ATOM 0 HD2 ARG A 57 8.970 -6.826 7.881 1.00 25.00 H new ATOM 0 HD3 ARG A 57 8.241 -8.397 8.154 1.00 25.00 H new ATOM 0 HE ARG A 57 9.854 -9.376 6.797 1.00 10.00 H new ATOM 0 HH11 ARG A 57 9.755 -5.889 6.225 1.00 61.40 H new ATOM 0 HH12 ARG A 57 11.191 -5.903 5.196 1.00 61.40 H new ATOM 0 HH21 ARG A 57 11.694 -9.380 5.473 1.00 61.30 H new ATOM 0 HH22 ARG A 57 12.282 -7.868 4.773 1.00 61.30 H new ATOM 878 N ALA A 58 6.785 -9.161 3.198 1.00 15.40 N ATOM 879 CA ALA A 58 7.512 -9.069 1.938 1.00 4.03 C ATOM 880 C ALA A 58 6.652 -8.425 0.856 1.00 2.33 C ATOM 881 O ALA A 58 7.157 -7.711 -0.011 1.00 52.50 O ATOM 882 CB ALA A 58 7.976 -10.440 1.495 1.00 51.00 C ATOM 0 H ALA A 58 6.713 -10.106 3.575 1.00 15.40 H new ATOM 0 HA ALA A 58 8.386 -8.437 2.097 1.00 4.03 H new ATOM 0 HB1 ALA A 58 8.517 -10.354 0.553 1.00 51.00 H new ATOM 0 HB2 ALA A 58 8.634 -10.864 2.254 1.00 51.00 H new ATOM 0 HB3 ALA A 58 7.112 -11.090 1.359 1.00 51.00 H new ATOM 888 N LYS A 59 5.349 -8.680 0.916 1.00 62.40 N ATOM 889 CA LYS A 59 4.416 -8.123 -0.055 1.00 4.21 C ATOM 890 C LYS A 59 4.185 -6.638 0.206 1.00 31.40 C ATOM 891 O LYS A 59 3.932 -5.867 -0.720 1.00 53.40 O ATOM 892 CB LYS A 59 3.084 -8.874 -0.005 1.00 23.00 C ATOM 893 CG LYS A 59 3.103 -10.190 -0.755 1.00 21.00 C ATOM 894 CD LYS A 59 1.742 -10.510 -1.352 1.00 22.20 C ATOM 895 CE LYS A 59 1.725 -11.890 -1.987 1.00 61.40 C ATOM 896 NZ LYS A 59 0.817 -11.950 -3.166 1.00 30.10 N ATOM 0 H LYS A 59 4.916 -9.269 1.627 1.00 62.40 H new ATOM 0 HA LYS A 59 4.852 -8.238 -1.048 1.00 4.21 H new ATOM 0 HB2 LYS A 59 2.821 -9.062 1.036 1.00 23.00 H new ATOM 0 HB3 LYS A 59 2.302 -8.239 -0.422 1.00 23.00 H new ATOM 0 HG2 LYS A 59 3.849 -10.147 -1.549 1.00 21.00 H new ATOM 0 HG3 LYS A 59 3.403 -10.991 -0.079 1.00 21.00 H new ATOM 0 HD2 LYS A 59 0.980 -10.457 -0.574 1.00 22.20 H new ATOM 0 HD3 LYS A 59 1.486 -9.760 -2.101 1.00 22.20 H new ATOM 0 HE2 LYS A 59 2.735 -12.161 -2.293 1.00 61.40 H new ATOM 0 HE3 LYS A 59 1.408 -12.626 -1.248 1.00 61.40 H new ATOM 0 HZ1 LYS A 59 0.835 -12.908 -3.569 1.00 30.10 H new ATOM 0 HZ2 LYS A 59 -0.152 -11.717 -2.870 1.00 30.10 H new ATOM 0 HZ3 LYS A 59 1.134 -11.267 -3.883 1.00 30.10 H new ATOM 910 N CYS A 60 4.276 -6.243 1.472 1.00 22.10 N ATOM 911 CA CYS A 60 4.079 -4.850 1.854 1.00 73.10 C ATOM 912 C CYS A 60 5.289 -4.006 1.471 1.00 30.00 C ATOM 913 O CYS A 60 5.155 -2.835 1.114 1.00 61.10 O ATOM 914 CB CYS A 60 3.823 -4.743 3.358 1.00 12.20 C ATOM 915 SG CYS A 60 2.407 -5.707 3.937 1.00 24.40 S ATOM 0 H CYS A 60 4.485 -6.868 2.250 1.00 22.10 H new ATOM 0 HA CYS A 60 3.209 -4.471 1.317 1.00 73.10 H new ATOM 0 HB2 CYS A 60 4.715 -5.071 3.892 1.00 12.20 H new ATOM 0 HB3 CYS A 60 3.665 -3.696 3.615 1.00 12.20 H new ATOM 0 HG CYS A 60 2.660 -6.975 3.800 1.00 24.40 H new ATOM 921 N VAL A 61 6.472 -4.608 1.547 1.00 22.20 N ATOM 922 CA VAL A 61 7.707 -3.912 1.207 1.00 25.00 C ATOM 923 C VAL A 61 7.746 -3.557 -0.275 1.00 63.10 C ATOM 924 O VAL A 61 8.014 -2.413 -0.644 1.00 31.10 O ATOM 925 CB VAL A 61 8.944 -4.760 1.553 1.00 52.00 C ATOM 926 CG1 VAL A 61 10.217 -3.946 1.378 1.00 54.20 C ATOM 927 CG2 VAL A 61 8.840 -5.304 2.970 1.00 10.00 C ATOM 0 H VAL A 61 6.601 -5.576 1.841 1.00 22.20 H new ATOM 0 HA VAL A 61 7.728 -2.997 1.799 1.00 25.00 H new ATOM 0 HB VAL A 61 8.985 -5.606 0.866 1.00 52.00 H new ATOM 0 HG11 VAL A 61 11.080 -4.563 1.627 1.00 54.20 H new ATOM 0 HG12 VAL A 61 10.296 -3.612 0.343 1.00 54.20 H new ATOM 0 HG13 VAL A 61 10.188 -3.079 2.038 1.00 54.20 H new ATOM 0 HG21 VAL A 61 9.724 -5.901 3.196 1.00 10.00 H new ATOM 0 HG22 VAL A 61 8.772 -4.475 3.674 1.00 10.00 H new ATOM 0 HG23 VAL A 61 7.950 -5.927 3.056 1.00 10.00 H new ATOM 937 N GLN A 62 7.478 -4.546 -1.122 1.00 2.12 N ATOM 938 CA GLN A 62 7.482 -4.338 -2.565 1.00 3.40 C ATOM 939 C GLN A 62 6.383 -3.365 -2.978 1.00 43.00 C ATOM 940 O GLN A 62 6.529 -2.622 -3.949 1.00 2.24 O ATOM 941 CB GLN A 62 7.300 -5.671 -3.294 1.00 13.30 C ATOM 942 CG GLN A 62 8.019 -5.736 -4.631 1.00 34.40 C ATOM 943 CD GLN A 62 7.138 -5.310 -5.789 1.00 41.40 C ATOM 944 OE1 GLN A 62 5.921 -5.194 -5.648 1.00 70.30 O ATOM 945 NE2 GLN A 62 7.751 -5.073 -6.943 1.00 53.30 N ATOM 0 H GLN A 62 7.255 -5.499 -0.834 1.00 2.12 H new ATOM 0 HA GLN A 62 8.445 -3.909 -2.842 1.00 3.40 H new ATOM 0 HB2 GLN A 62 7.663 -6.477 -2.656 1.00 13.30 H new ATOM 0 HB3 GLN A 62 6.236 -5.846 -3.454 1.00 13.30 H new ATOM 0 HG2 GLN A 62 8.901 -5.097 -4.596 1.00 34.40 H new ATOM 0 HG3 GLN A 62 8.370 -6.754 -4.802 1.00 34.40 H new ATOM 0 HE21 GLN A 62 8.763 -5.182 -7.015 1.00 53.30 H new ATOM 0 HE22 GLN A 62 7.210 -4.782 -7.757 1.00 53.30 H new ATOM 954 N TYR A 63 5.281 -3.374 -2.234 1.00 34.10 N ATOM 955 CA TYR A 63 4.156 -2.492 -2.523 1.00 25.40 C ATOM 956 C TYR A 63 4.501 -1.044 -2.189 1.00 55.20 C ATOM 957 O TYR A 63 4.098 -0.121 -2.896 1.00 2.24 O ATOM 958 CB TYR A 63 2.922 -2.930 -1.733 1.00 74.10 C ATOM 959 CG TYR A 63 2.049 -3.920 -2.472 1.00 30.40 C ATOM 960 CD1 TYR A 63 1.728 -3.728 -3.810 1.00 70.10 C ATOM 961 CD2 TYR A 63 1.547 -5.045 -1.831 1.00 64.20 C ATOM 962 CE1 TYR A 63 0.930 -4.630 -4.488 1.00 0.11 C ATOM 963 CE2 TYR A 63 0.749 -5.952 -2.503 1.00 41.20 C ATOM 964 CZ TYR A 63 0.444 -5.740 -3.831 1.00 13.10 C ATOM 965 OH TYR A 63 -0.350 -6.640 -4.503 1.00 2.23 O ATOM 0 H TYR A 63 5.143 -3.982 -1.427 1.00 34.10 H new ATOM 0 HA TYR A 63 3.938 -2.558 -3.589 1.00 25.40 H new ATOM 0 HB2 TYR A 63 3.243 -3.374 -0.791 1.00 74.10 H new ATOM 0 HB3 TYR A 63 2.329 -2.050 -1.485 1.00 74.10 H new ATOM 0 HD1 TYR A 63 2.108 -2.860 -4.328 1.00 70.10 H new ATOM 0 HD2 TYR A 63 1.784 -5.214 -0.791 1.00 64.20 H new ATOM 0 HE1 TYR A 63 0.688 -4.466 -5.528 1.00 0.11 H new ATOM 0 HE2 TYR A 63 0.366 -6.822 -1.990 1.00 41.20 H new ATOM 0 HH TYR A 63 -0.608 -7.365 -3.897 1.00 2.23 H new ATOM 975 N LEU A 64 5.249 -0.854 -1.107 1.00 11.20 N ATOM 976 CA LEU A 64 5.648 0.481 -0.679 1.00 41.00 C ATOM 977 C LEU A 64 6.481 1.171 -1.754 1.00 75.20 C ATOM 978 O LEU A 64 6.247 2.334 -2.084 1.00 64.20 O ATOM 979 CB LEU A 64 6.443 0.405 0.627 1.00 3.21 C ATOM 980 CG LEU A 64 6.282 1.610 1.554 1.00 5.45 C ATOM 981 CD1 LEU A 64 6.730 2.885 0.856 1.00 65.20 C ATOM 982 CD2 LEU A 64 4.839 1.734 2.020 1.00 15.50 C ATOM 0 H LEU A 64 5.591 -1.608 -0.511 1.00 11.20 H new ATOM 0 HA LEU A 64 4.744 1.067 -0.513 1.00 41.00 H new ATOM 0 HB2 LEU A 64 6.141 -0.492 1.167 1.00 3.21 H new ATOM 0 HB3 LEU A 64 7.500 0.291 0.385 1.00 3.21 H new ATOM 0 HG LEU A 64 6.914 1.458 2.429 1.00 5.45 H new ATOM 0 HD11 LEU A 64 6.608 3.732 1.531 1.00 65.20 H new ATOM 0 HD12 LEU A 64 7.779 2.795 0.572 1.00 65.20 H new ATOM 0 HD13 LEU A 64 6.125 3.043 -0.037 1.00 65.20 H new ATOM 0 HD21 LEU A 64 4.742 2.597 2.679 1.00 15.50 H new ATOM 0 HD22 LEU A 64 4.187 1.863 1.156 1.00 15.50 H new ATOM 0 HD23 LEU A 64 4.552 0.831 2.560 1.00 15.50 H new ATOM 994 N ASP A 65 7.453 0.446 -2.299 1.00 62.50 N ATOM 995 CA ASP A 65 8.320 0.989 -3.338 1.00 10.40 C ATOM 996 C ASP A 65 7.511 1.393 -4.566 1.00 13.20 C ATOM 997 O ASP A 65 7.747 2.446 -5.158 1.00 61.40 O ATOM 998 CB ASP A 65 9.385 -0.038 -3.730 1.00 61.40 C ATOM 999 CG ASP A 65 10.553 -0.057 -2.764 1.00 63.40 C ATOM 1000 OD1 ASP A 65 11.063 1.033 -2.427 1.00 13.10 O ATOM 1001 OD2 ASP A 65 10.958 -1.161 -2.344 1.00 14.30 O ATOM 0 H ASP A 65 7.660 -0.518 -2.038 1.00 62.50 H new ATOM 0 HA ASP A 65 8.810 1.878 -2.940 1.00 10.40 H new ATOM 0 HB2 ASP A 65 8.933 -1.029 -3.769 1.00 61.40 H new ATOM 0 HB3 ASP A 65 9.750 0.186 -4.733 1.00 61.40 H new ATOM 1006 N ARG A 66 6.554 0.550 -4.942 1.00 51.10 N ATOM 1007 CA ARG A 66 5.709 0.820 -6.099 1.00 61.30 C ATOM 1008 C ARG A 66 4.796 2.014 -5.838 1.00 32.50 C ATOM 1009 O ARG A 66 4.625 2.877 -6.699 1.00 3.01 O ATOM 1010 CB ARG A 66 4.872 -0.412 -6.444 1.00 52.50 C ATOM 1011 CG ARG A 66 5.553 -1.357 -7.420 1.00 54.40 C ATOM 1012 CD ARG A 66 4.697 -2.582 -7.699 1.00 34.20 C ATOM 1013 NE ARG A 66 3.559 -2.270 -8.560 1.00 0.41 N ATOM 1014 CZ ARG A 66 2.841 -3.189 -9.202 1.00 42.40 C ATOM 1015 NH1 ARG A 66 3.140 -4.477 -9.083 1.00 23.50 N ATOM 1016 NH2 ARG A 66 1.822 -2.820 -9.965 1.00 21.50 N ATOM 0 H ARG A 66 6.345 -0.325 -4.462 1.00 51.10 H new ATOM 0 HA ARG A 66 6.356 1.058 -6.943 1.00 61.30 H new ATOM 0 HB2 ARG A 66 4.643 -0.954 -5.526 1.00 52.50 H new ATOM 0 HB3 ARG A 66 3.922 -0.088 -6.868 1.00 52.50 H new ATOM 0 HG2 ARG A 66 5.756 -0.833 -8.354 1.00 54.40 H new ATOM 0 HG3 ARG A 66 6.515 -1.669 -7.014 1.00 54.40 H new ATOM 0 HD2 ARG A 66 5.308 -3.352 -8.171 1.00 34.20 H new ATOM 0 HD3 ARG A 66 4.336 -2.994 -6.757 1.00 34.20 H new ATOM 0 HE ARG A 66 3.299 -1.290 -8.676 1.00 0.41 H new ATOM 0 HH11 ARG A 66 3.923 -4.767 -8.497 1.00 23.50 H new ATOM 0 HH12 ARG A 66 2.586 -5.177 -9.577 1.00 23.50 H new ATOM 0 HH21 ARG A 66 1.588 -1.832 -10.060 1.00 21.50 H new ATOM 0 HH22 ARG A 66 1.272 -3.524 -10.457 1.00 21.50 H new ATOM 1030 N ALA A 67 4.211 2.055 -4.646 1.00 30.00 N ATOM 1031 CA ALA A 67 3.315 3.143 -4.271 1.00 53.20 C ATOM 1032 C ALA A 67 4.024 4.491 -4.347 1.00 21.20 C ATOM 1033 O ALA A 67 3.517 5.437 -4.949 1.00 24.30 O ATOM 1034 CB ALA A 67 2.763 2.912 -2.872 1.00 5.52 C ATOM 0 H ALA A 67 4.341 1.348 -3.923 1.00 30.00 H new ATOM 0 HA ALA A 67 2.487 3.159 -4.979 1.00 53.20 H new ATOM 0 HB1 ALA A 67 2.096 3.731 -2.604 1.00 5.52 H new ATOM 0 HB2 ALA A 67 2.211 1.972 -2.849 1.00 5.52 H new ATOM 0 HB3 ALA A 67 3.586 2.867 -2.159 1.00 5.52 H new ATOM 1040 N GLU A 68 5.200 4.571 -3.733 1.00 50.10 N ATOM 1041 CA GLU A 68 5.979 5.803 -3.731 1.00 54.30 C ATOM 1042 C GLU A 68 6.325 6.230 -5.154 1.00 71.50 C ATOM 1043 O GLU A 68 6.448 7.420 -5.443 1.00 15.40 O ATOM 1044 CB GLU A 68 7.260 5.620 -2.916 1.00 11.20 C ATOM 1045 CG GLU A 68 8.206 4.579 -3.492 1.00 11.10 C ATOM 1046 CD GLU A 68 9.621 4.724 -2.969 1.00 4.24 C ATOM 1047 OE1 GLU A 68 9.862 4.358 -1.799 1.00 65.30 O ATOM 1048 OE2 GLU A 68 10.489 5.203 -3.729 1.00 71.20 O ATOM 0 H GLU A 68 5.634 3.797 -3.230 1.00 50.10 H new ATOM 0 HA GLU A 68 5.374 6.585 -3.273 1.00 54.30 H new ATOM 0 HB2 GLU A 68 7.780 6.576 -2.853 1.00 11.20 H new ATOM 0 HB3 GLU A 68 6.995 5.334 -1.898 1.00 11.20 H new ATOM 0 HG2 GLU A 68 7.834 3.583 -3.252 1.00 11.10 H new ATOM 0 HG3 GLU A 68 8.214 4.663 -4.579 1.00 11.10 H new ATOM 1055 N LYS A 69 6.482 5.251 -6.039 1.00 61.20 N ATOM 1056 CA LYS A 69 6.813 5.526 -7.433 1.00 73.10 C ATOM 1057 C LYS A 69 5.642 6.188 -8.150 1.00 30.00 C ATOM 1058 O LYS A 69 5.834 7.019 -9.037 1.00 14.10 O ATOM 1059 CB LYS A 69 7.201 4.232 -8.151 1.00 74.30 C ATOM 1060 CG LYS A 69 7.887 4.461 -9.488 1.00 34.20 C ATOM 1061 CD LYS A 69 9.400 4.405 -9.355 1.00 61.10 C ATOM 1062 CE LYS A 69 9.942 3.035 -9.728 1.00 32.00 C ATOM 1063 NZ LYS A 69 11.084 2.634 -8.861 1.00 42.20 N ATOM 0 H LYS A 69 6.385 4.260 -5.816 1.00 61.20 H new ATOM 0 HA LYS A 69 7.660 6.212 -7.451 1.00 73.10 H new ATOM 0 HB2 LYS A 69 7.863 3.653 -7.507 1.00 74.30 H new ATOM 0 HB3 LYS A 69 6.305 3.632 -8.310 1.00 74.30 H new ATOM 0 HG2 LYS A 69 7.555 3.707 -10.202 1.00 34.20 H new ATOM 0 HG3 LYS A 69 7.592 5.431 -9.888 1.00 34.20 H new ATOM 0 HD2 LYS A 69 9.851 5.163 -9.996 1.00 61.10 H new ATOM 0 HD3 LYS A 69 9.685 4.644 -8.330 1.00 61.10 H new ATOM 0 HE2 LYS A 69 9.146 2.295 -9.645 1.00 32.00 H new ATOM 0 HE3 LYS A 69 10.263 3.043 -10.770 1.00 32.00 H new ATOM 0 HZ1 LYS A 69 11.424 1.694 -9.148 1.00 42.20 H new ATOM 0 HZ2 LYS A 69 11.854 3.326 -8.959 1.00 42.20 H new ATOM 0 HZ3 LYS A 69 10.772 2.601 -7.869 1.00 42.20 H new ATOM 1077 N LEU A 70 4.427 5.813 -7.761 1.00 20.20 N ATOM 1078 CA LEU A 70 3.224 6.371 -8.367 1.00 14.40 C ATOM 1079 C LEU A 70 3.066 7.844 -8.005 1.00 2.53 C ATOM 1080 O LEU A 70 2.926 8.698 -8.881 1.00 12.40 O ATOM 1081 CB LEU A 70 1.990 5.588 -7.917 1.00 30.00 C ATOM 1082 CG LEU A 70 1.992 4.105 -8.291 1.00 54.40 C ATOM 1083 CD1 LEU A 70 0.688 3.446 -7.868 1.00 12.00 C ATOM 1084 CD2 LEU A 70 2.217 3.933 -9.786 1.00 44.30 C ATOM 0 H LEU A 70 4.250 5.125 -7.029 1.00 20.20 H new ATOM 0 HA LEU A 70 3.322 6.290 -9.450 1.00 14.40 H new ATOM 0 HB2 LEU A 70 1.899 5.674 -6.834 1.00 30.00 H new ATOM 0 HB3 LEU A 70 1.105 6.055 -8.349 1.00 30.00 H new ATOM 0 HG LEU A 70 2.810 3.617 -7.761 1.00 54.40 H new ATOM 0 HD11 LEU A 70 0.708 2.391 -8.142 1.00 12.00 H new ATOM 0 HD12 LEU A 70 0.567 3.538 -6.789 1.00 12.00 H new ATOM 0 HD13 LEU A 70 -0.147 3.936 -8.370 1.00 12.00 H new ATOM 0 HD21 LEU A 70 2.215 2.872 -10.034 1.00 44.30 H new ATOM 0 HD22 LEU A 70 1.420 4.435 -10.334 1.00 44.30 H new ATOM 0 HD23 LEU A 70 3.177 4.369 -10.062 1.00 44.30 H new ATOM 1096 N LYS A 71 3.088 8.135 -6.708 1.00 72.10 N ATOM 1097 CA LYS A 71 2.947 9.506 -6.230 1.00 40.30 C ATOM 1098 C LYS A 71 4.067 10.389 -6.770 1.00 61.10 C ATOM 1099 O LYS A 71 3.857 11.566 -7.060 1.00 32.20 O ATOM 1100 CB LYS A 71 2.950 9.537 -4.700 1.00 73.40 C ATOM 1101 CG LYS A 71 2.025 10.589 -4.112 1.00 13.30 C ATOM 1102 CD LYS A 71 2.267 10.773 -2.622 1.00 62.30 C ATOM 1103 CE LYS A 71 3.166 11.968 -2.348 1.00 2.35 C ATOM 1104 NZ LYS A 71 3.527 12.072 -0.907 1.00 74.30 N ATOM 0 H LYS A 71 3.202 7.440 -5.970 1.00 72.10 H new ATOM 0 HA LYS A 71 1.996 9.895 -6.593 1.00 40.30 H new ATOM 0 HB2 LYS A 71 2.657 8.557 -4.324 1.00 73.40 H new ATOM 0 HB3 LYS A 71 3.966 9.722 -4.350 1.00 73.40 H new ATOM 0 HG2 LYS A 71 2.178 11.538 -4.626 1.00 13.30 H new ATOM 0 HG3 LYS A 71 0.988 10.298 -4.280 1.00 13.30 H new ATOM 0 HD2 LYS A 71 1.314 10.909 -2.111 1.00 62.30 H new ATOM 0 HD3 LYS A 71 2.723 9.872 -2.212 1.00 62.30 H new ATOM 0 HE2 LYS A 71 4.074 11.883 -2.945 1.00 2.35 H new ATOM 0 HE3 LYS A 71 2.662 12.882 -2.663 1.00 2.35 H new ATOM 0 HZ1 LYS A 71 3.773 13.057 -0.681 1.00 74.30 H new ATOM 0 HZ2 LYS A 71 2.719 11.775 -0.324 1.00 74.30 H new ATOM 0 HZ3 LYS A 71 4.342 11.457 -0.708 1.00 74.30 H new ATOM 1118 N ASP A 72 5.256 9.812 -6.903 1.00 2.31 N ATOM 1119 CA ASP A 72 6.410 10.547 -7.409 1.00 4.13 C ATOM 1120 C ASP A 72 6.217 10.920 -8.875 1.00 64.30 C ATOM 1121 O ASP A 72 6.706 11.952 -9.333 1.00 73.20 O ATOM 1122 CB ASP A 72 7.683 9.714 -7.245 1.00 74.40 C ATOM 1123 CG ASP A 72 8.933 10.572 -7.204 1.00 55.40 C ATOM 1124 OD1 ASP A 72 8.940 11.576 -6.462 1.00 2.12 O ATOM 1125 OD2 ASP A 72 9.904 10.239 -7.915 1.00 53.30 O ATOM 0 H ASP A 72 5.446 8.838 -6.668 1.00 2.31 H new ATOM 0 HA ASP A 72 6.508 11.465 -6.830 1.00 4.13 H new ATOM 0 HB2 ASP A 72 7.616 9.130 -6.327 1.00 74.40 H new ATOM 0 HB3 ASP A 72 7.759 9.005 -8.069 1.00 74.40 H new ATOM 1130 N TYR A 73 5.501 10.072 -9.606 1.00 41.20 N ATOM 1131 CA TYR A 73 5.243 10.313 -11.020 1.00 1.11 C ATOM 1132 C TYR A 73 4.249 11.455 -11.200 1.00 0.44 C ATOM 1133 O TYR A 73 4.371 12.252 -12.130 1.00 63.10 O ATOM 1134 CB TYR A 73 4.707 9.043 -11.680 1.00 4.55 C ATOM 1135 CG TYR A 73 4.456 9.196 -13.170 1.00 65.20 C ATOM 1136 CD1 TYR A 73 5.496 9.081 -14.080 1.00 75.30 C ATOM 1137 CD2 TYR A 73 3.181 9.454 -13.650 1.00 12.50 C ATOM 1138 CE1 TYR A 73 5.270 9.219 -15.440 1.00 24.20 C ATOM 1139 CE2 TYR A 73 2.947 9.594 -15.010 1.00 44.10 C ATOM 1140 CZ TYR A 73 3.995 9.476 -15.890 1.00 2.12 C ATOM 1141 OH TYR A 73 3.767 9.614 -17.240 1.00 14.20 O ATOM 0 H TYR A 73 5.090 9.212 -9.242 1.00 41.20 H new ATOM 0 HA TYR A 73 6.182 10.594 -11.498 1.00 1.11 H new ATOM 0 HB2 TYR A 73 5.418 8.232 -11.520 1.00 4.55 H new ATOM 0 HB3 TYR A 73 3.777 8.753 -11.191 1.00 4.55 H new ATOM 0 HD1 TYR A 73 6.496 8.881 -13.724 1.00 75.30 H new ATOM 0 HD2 TYR A 73 2.359 9.547 -12.956 1.00 12.50 H new ATOM 0 HE1 TYR A 73 6.087 9.126 -16.140 1.00 24.20 H new ATOM 0 HE2 TYR A 73 1.950 9.794 -15.374 1.00 44.10 H new ATOM 0 HH TYR A 73 2.816 9.791 -17.395 1.00 14.20 H new ATOM 1151 N LEU A 74 3.267 11.529 -10.310 1.00 14.30 N ATOM 1152 CA LEU A 74 2.252 12.574 -10.380 1.00 60.20 C ATOM 1153 C LEU A 74 2.734 13.844 -9.686 1.00 61.40 C ATOM 1154 O LEU A 74 2.377 14.954 -10.080 1.00 54.10 O ATOM 1155 CB LEU A 74 0.950 12.091 -9.738 1.00 42.00 C ATOM 1156 CG LEU A 74 0.193 11.026 -10.530 1.00 71.10 C ATOM 1157 CD1 LEU A 74 -0.561 10.097 -9.594 1.00 4.43 C ATOM 1158 CD2 LEU A 74 -0.761 11.678 -11.520 1.00 50.00 C ATOM 0 H LEU A 74 3.152 10.879 -9.532 1.00 14.30 H new ATOM 0 HA LEU A 74 2.069 12.801 -11.430 1.00 60.20 H new ATOM 0 HB2 LEU A 74 1.177 11.693 -8.749 1.00 42.00 H new ATOM 0 HB3 LEU A 74 0.294 12.949 -9.594 1.00 42.00 H new ATOM 0 HG LEU A 74 0.917 10.433 -11.088 1.00 71.10 H new ATOM 0 HD11 LEU A 74 -1.093 9.346 -10.178 1.00 4.43 H new ATOM 0 HD12 LEU A 74 0.144 9.604 -8.925 1.00 4.43 H new ATOM 0 HD13 LEU A 74 -1.276 10.674 -9.007 1.00 4.43 H new ATOM 0 HD21 LEU A 74 -1.292 10.906 -12.076 1.00 50.00 H new ATOM 0 HD22 LEU A 74 -1.479 12.296 -10.981 1.00 50.00 H new ATOM 0 HD23 LEU A 74 -0.196 12.301 -12.214 1.00 50.00 H new ATOM 1170 N ARG A 75 3.548 13.673 -8.649 1.00 73.00 N ATOM 1171 CA ARG A 75 4.080 14.805 -7.899 1.00 32.00 C ATOM 1172 C ARG A 75 4.947 15.689 -8.791 1.00 45.30 C ATOM 1173 O ARG A 75 4.755 16.903 -8.852 1.00 62.50 O ATOM 1174 CB ARG A 75 4.894 14.314 -6.702 1.00 2.24 C ATOM 1175 CG ARG A 75 5.274 15.418 -5.729 1.00 74.40 C ATOM 1176 CD ARG A 75 6.640 15.171 -5.110 1.00 15.10 C ATOM 1177 NE ARG A 75 6.763 13.815 -4.580 1.00 74.00 N ATOM 1178 CZ ARG A 75 6.241 13.422 -3.420 1.00 52.10 C ATOM 1179 NH1 ARG A 75 5.561 14.278 -2.667 1.00 43.10 N ATOM 1180 NH2 ARG A 75 6.400 12.170 -3.012 1.00 22.50 N ATOM 0 H ARG A 75 3.854 12.761 -8.309 1.00 73.00 H new ATOM 0 HA ARG A 75 3.239 15.397 -7.538 1.00 32.00 H new ATOM 0 HB2 ARG A 75 4.321 13.555 -6.170 1.00 2.24 H new ATOM 0 HB3 ARG A 75 5.802 13.832 -7.064 1.00 2.24 H new ATOM 0 HG2 ARG A 75 5.277 16.376 -6.248 1.00 74.40 H new ATOM 0 HG3 ARG A 75 4.523 15.484 -4.941 1.00 74.40 H new ATOM 0 HD2 ARG A 75 7.413 15.339 -5.859 1.00 15.10 H new ATOM 0 HD3 ARG A 75 6.811 15.890 -4.309 1.00 15.10 H new ATOM 0 HE ARG A 75 7.279 13.129 -5.131 1.00 74.00 H new ATOM 0 HH11 ARG A 75 5.436 15.242 -2.976 1.00 43.10 H new ATOM 0 HH12 ARG A 75 5.163 13.972 -1.779 1.00 43.10 H new ATOM 0 HH21 ARG A 75 6.922 11.509 -3.587 1.00 22.50 H new ATOM 0 HH22 ARG A 75 6.000 11.869 -2.123 1.00 22.50 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 10.854 -5.176 8.888 1.00 71.30 N ATOM 1196 CA GLU B 115 9.498 -4.668 9.063 1.00 4.22 C ATOM 1197 C GLU B 115 9.514 -3.184 9.415 1.00 44.30 C ATOM 1198 O GLU B 115 8.597 -2.442 9.062 1.00 31.50 O ATOM 1199 CB GLU B 115 8.773 -5.455 10.156 1.00 4.20 C ATOM 1200 CG GLU B 115 7.259 -5.345 10.082 1.00 23.00 C ATOM 1201 CD GLU B 115 6.612 -5.271 11.451 1.00 23.10 C ATOM 1202 OE1 GLU B 115 7.163 -5.866 12.401 1.00 30.50 O ATOM 1203 OE2 GLU B 115 5.556 -4.616 11.574 1.00 41.30 O ATOM 0 HA GLU B 115 8.966 -4.794 8.120 1.00 4.22 H new ATOM 0 HB2 GLU B 115 9.057 -6.505 10.085 1.00 4.20 H new ATOM 0 HB3 GLU B 115 9.108 -5.100 11.131 1.00 4.20 H new ATOM 0 HG2 GLU B 115 6.991 -4.458 9.509 1.00 23.00 H new ATOM 0 HG3 GLU B 115 6.862 -6.205 9.543 1.00 23.00 H new ATOM 1210 N ASP B 116 10.561 -2.758 10.113 1.00 51.20 N ATOM 1211 CA ASP B 116 10.697 -1.362 10.513 1.00 64.10 C ATOM 1212 C ASP B 116 10.943 -0.469 9.302 1.00 45.40 C ATOM 1213 O ASP B 116 10.556 0.700 9.291 1.00 21.10 O ATOM 1214 CB ASP B 116 11.841 -1.207 11.517 1.00 1.53 C ATOM 1215 CG ASP B 116 11.384 -1.401 12.949 1.00 53.10 C ATOM 1216 OD1 ASP B 116 10.867 -2.493 13.265 1.00 62.40 O ATOM 1217 OD2 ASP B 116 11.543 -0.460 13.756 1.00 3.34 O ATOM 0 H ASP B 116 11.328 -3.359 10.414 1.00 51.20 H new ATOM 0 HA ASP B 116 9.764 -1.053 10.984 1.00 64.10 H new ATOM 0 HB2 ASP B 116 12.623 -1.931 11.287 1.00 1.53 H new ATOM 0 HB3 ASP B 116 12.282 -0.216 11.411 1.00 1.53 H new ATOM 1222 N GLN B 117 11.591 -1.025 8.283 1.00 50.10 N ATOM 1223 CA GLN B 117 11.889 -0.278 7.066 1.00 3.44 C ATOM 1224 C GLN B 117 10.609 0.234 6.413 1.00 44.30 C ATOM 1225 O GLN B 117 10.422 1.440 6.253 1.00 62.00 O ATOM 1226 CB GLN B 117 12.662 -1.155 6.080 1.00 32.00 C ATOM 1227 CG GLN B 117 14.069 -1.496 6.544 1.00 35.10 C ATOM 1228 CD GLN B 117 14.940 -0.267 6.716 1.00 33.10 C ATOM 1229 OE1 GLN B 117 15.668 0.125 5.805 1.00 22.10 O ATOM 1230 NE2 GLN B 117 14.868 0.349 7.891 1.00 73.10 N ATOM 0 H GLN B 117 11.920 -1.991 8.276 1.00 50.10 H new ATOM 0 HA GLN B 117 12.504 0.580 7.339 1.00 3.44 H new ATOM 0 HB2 GLN B 117 12.108 -2.079 5.917 1.00 32.00 H new ATOM 0 HB3 GLN B 117 12.719 -0.644 5.119 1.00 32.00 H new ATOM 0 HG2 GLN B 117 14.015 -2.034 7.490 1.00 35.10 H new ATOM 0 HG3 GLN B 117 14.533 -2.168 5.822 1.00 35.10 H new ATOM 0 HE21 GLN B 117 14.250 -0.011 8.619 1.00 73.10 H new ATOM 0 HE22 GLN B 117 15.430 1.182 8.065 1.00 73.10 H new ATOM 1239 N LEU B 118 9.731 -0.690 6.037 1.00 15.30 N ATOM 1240 CA LEU B 118 8.469 -0.331 5.401 1.00 53.30 C ATOM 1241 C LEU B 118 7.509 0.294 6.409 1.00 24.40 C ATOM 1242 O LEU B 118 6.682 1.134 6.054 1.00 61.00 O ATOM 1243 CB LEU B 118 7.826 -1.564 4.763 1.00 22.10 C ATOM 1244 CG LEU B 118 7.427 -2.669 5.744 1.00 24.20 C ATOM 1245 CD1 LEU B 118 6.141 -3.345 5.295 1.00 32.40 C ATOM 1246 CD2 LEU B 118 8.548 -3.688 5.880 1.00 41.30 C ATOM 0 H LEU B 118 9.870 -1.693 6.162 1.00 15.30 H new ATOM 0 HA LEU B 118 8.679 0.404 4.624 1.00 53.30 H new ATOM 0 HB2 LEU B 118 6.939 -1.249 4.214 1.00 22.10 H new ATOM 0 HB3 LEU B 118 8.521 -1.981 4.034 1.00 22.10 H new ATOM 0 HG LEU B 118 7.252 -2.217 6.720 1.00 24.20 H new ATOM 0 HD11 LEU B 118 5.874 -4.127 6.005 1.00 32.40 H new ATOM 0 HD12 LEU B 118 5.339 -2.608 5.249 1.00 32.40 H new ATOM 0 HD13 LEU B 118 6.286 -3.785 4.308 1.00 32.40 H new ATOM 0 HD21 LEU B 118 8.248 -4.467 6.581 1.00 41.30 H new ATOM 0 HD22 LEU B 118 8.754 -4.135 4.907 1.00 41.30 H new ATOM 0 HD23 LEU B 118 9.446 -3.193 6.249 1.00 41.30 H new ATOM 1258 N SER B 119 7.625 -0.121 7.666 1.00 41.20 N ATOM 1259 CA SER B 119 6.767 0.399 8.725 1.00 70.10 C ATOM 1260 C SER B 119 6.938 1.908 8.871 1.00 22.10 C ATOM 1261 O SER B 119 5.958 2.652 8.906 1.00 60.10 O ATOM 1262 CB SER B 119 7.083 -0.293 10.052 1.00 45.00 C ATOM 1263 OG SER B 119 6.314 0.255 11.109 1.00 22.20 O ATOM 0 H SER B 119 8.304 -0.816 7.976 1.00 41.20 H new ATOM 0 HA SER B 119 5.731 0.193 8.454 1.00 70.10 H new ATOM 0 HB2 SER B 119 6.880 -1.361 9.966 1.00 45.00 H new ATOM 0 HB3 SER B 119 8.144 -0.187 10.277 1.00 45.00 H new ATOM 0 HG SER B 119 6.533 -0.205 11.946 1.00 22.20 H new ATOM 1269 N ARG B 120 8.188 2.351 8.955 1.00 72.50 N ATOM 1270 CA ARG B 120 8.486 3.772 9.097 1.00 74.40 C ATOM 1271 C ARG B 120 8.017 4.551 7.873 1.00 73.20 C ATOM 1272 O ARG B 120 7.390 5.603 7.998 1.00 63.40 O ATOM 1273 CB ARG B 120 9.988 3.980 9.305 1.00 42.40 C ATOM 1274 CG ARG B 120 10.318 5.114 10.261 1.00 71.30 C ATOM 1275 CD ARG B 120 10.582 4.599 11.667 1.00 11.10 C ATOM 1276 NE ARG B 120 10.295 5.609 12.683 1.00 23.40 N ATOM 1277 CZ ARG B 120 9.070 5.903 13.111 1.00 61.10 C ATOM 1278 NH1 ARG B 120 8.015 5.268 12.613 1.00 14.10 N ATOM 1279 NH2 ARG B 120 8.897 6.834 14.038 1.00 51.40 N ATOM 0 H ARG B 120 9.010 1.748 8.927 1.00 72.50 H new ATOM 0 HA ARG B 120 7.950 4.146 9.969 1.00 74.40 H new ATOM 0 HB2 ARG B 120 10.425 3.057 9.685 1.00 42.40 H new ATOM 0 HB3 ARG B 120 10.456 4.181 8.341 1.00 42.40 H new ATOM 0 HG2 ARG B 120 11.194 5.653 9.899 1.00 71.30 H new ATOM 0 HG3 ARG B 120 9.492 5.825 10.282 1.00 71.30 H new ATOM 0 HD2 ARG B 120 9.970 3.716 11.851 1.00 11.10 H new ATOM 0 HD3 ARG B 120 11.623 4.288 11.749 1.00 11.10 H new ATOM 0 HE ARG B 120 11.080 6.119 13.088 1.00 23.40 H new ATOM 0 HH11 ARG B 120 8.142 4.551 11.899 1.00 14.10 H new ATOM 0 HH12 ARG B 120 7.078 5.497 12.945 1.00 14.10 H new ATOM 0 HH21 ARG B 120 9.703 7.326 14.424 1.00 51.40 H new ATOM 0 HH22 ARG B 120 7.958 7.059 14.366 1.00 51.40 H new ATOM 1293 N ARG B 121 8.326 4.029 6.691 1.00 64.20 N ATOM 1294 CA ARG B 121 7.936 4.676 5.444 1.00 14.40 C ATOM 1295 C ARG B 121 6.418 4.738 5.315 1.00 44.40 C ATOM 1296 O ARG B 121 5.873 5.668 4.719 1.00 51.40 O ATOM 1297 CB ARG B 121 8.531 3.927 4.249 1.00 3.52 C ATOM 1298 CG ARG B 121 10.040 3.766 4.322 1.00 23.10 C ATOM 1299 CD ARG B 121 10.531 2.681 3.377 1.00 15.50 C ATOM 1300 NE ARG B 121 10.938 3.225 2.084 1.00 24.00 N ATOM 1301 CZ ARG B 121 11.515 2.504 1.125 1.00 60.30 C ATOM 1302 NH1 ARG B 121 11.753 1.212 1.309 1.00 4.11 N ATOM 1303 NH2 ARG B 121 11.854 3.078 -0.022 1.00 51.10 N ATOM 0 H ARG B 121 8.845 3.160 6.570 1.00 64.20 H new ATOM 0 HA ARG B 121 8.323 5.695 5.455 1.00 14.40 H new ATOM 0 HB2 ARG B 121 8.072 2.941 4.184 1.00 3.52 H new ATOM 0 HB3 ARG B 121 8.275 4.459 3.333 1.00 3.52 H new ATOM 0 HG2 ARG B 121 10.520 4.712 4.072 1.00 23.10 H new ATOM 0 HG3 ARG B 121 10.332 3.520 5.343 1.00 23.10 H new ATOM 0 HD2 ARG B 121 11.372 2.158 3.831 1.00 15.50 H new ATOM 0 HD3 ARG B 121 9.741 1.945 3.228 1.00 15.50 H new ATOM 0 HE ARG B 121 10.770 4.215 1.905 1.00 24.00 H new ATOM 0 HH11 ARG B 121 11.494 0.766 2.189 1.00 4.11 H new ATOM 0 HH12 ARG B 121 12.195 0.665 0.571 1.00 4.11 H new ATOM 0 HH21 ARG B 121 11.673 4.071 -0.169 1.00 51.10 H new ATOM 0 HH22 ARG B 121 12.296 2.526 -0.757 1.00 51.10 H new ATOM 1317 N LEU B 122 5.739 3.743 5.878 1.00 73.50 N ATOM 1318 CA LEU B 122 4.283 3.686 5.826 1.00 23.10 C ATOM 1319 C LEU B 122 3.666 4.910 6.494 1.00 34.00 C ATOM 1320 O LEU B 122 2.853 5.613 5.894 1.00 0.31 O ATOM 1321 CB LEU B 122 3.778 2.411 6.504 1.00 70.30 C ATOM 1322 CG LEU B 122 2.429 1.898 5.997 1.00 22.10 C ATOM 1323 CD1 LEU B 122 1.377 2.993 6.076 1.00 30.00 C ATOM 1324 CD2 LEU B 122 2.559 1.382 4.571 1.00 35.30 C ATOM 0 H LEU B 122 6.174 2.966 6.375 1.00 73.50 H new ATOM 0 HA LEU B 122 3.982 3.676 4.779 1.00 23.10 H new ATOM 0 HB2 LEU B 122 4.522 1.626 6.368 1.00 70.30 H new ATOM 0 HB3 LEU B 122 3.700 2.594 7.576 1.00 70.30 H new ATOM 0 HG LEU B 122 2.112 1.073 6.635 1.00 22.10 H new ATOM 0 HD11 LEU B 122 0.424 2.609 5.711 1.00 30.00 H new ATOM 0 HD12 LEU B 122 1.266 3.316 7.111 1.00 30.00 H new ATOM 0 HD13 LEU B 122 1.686 3.839 5.463 1.00 30.00 H new ATOM 0 HD21 LEU B 122 1.591 1.021 4.225 1.00 35.30 H new ATOM 0 HD22 LEU B 122 2.898 2.189 3.922 1.00 35.30 H new ATOM 0 HD23 LEU B 122 3.281 0.566 4.544 1.00 35.30 H new ATOM 1336 N ALA B 123 4.058 5.159 7.739 1.00 41.30 N ATOM 1337 CA ALA B 123 3.544 6.299 8.489 1.00 45.10 C ATOM 1338 C ALA B 123 3.871 7.612 7.785 1.00 70.20 C ATOM 1339 O ALA B 123 3.116 8.580 7.874 1.00 10.20 O ATOM 1340 CB ALA B 123 4.111 6.300 9.900 1.00 4.11 C ATOM 0 H ALA B 123 4.730 4.587 8.250 1.00 41.30 H new ATOM 0 HA ALA B 123 2.459 6.207 8.544 1.00 45.10 H new ATOM 0 HB1 ALA B 123 3.719 7.156 10.449 1.00 4.11 H new ATOM 0 HB2 ALA B 123 3.823 5.380 10.409 1.00 4.11 H new ATOM 0 HB3 ALA B 123 5.198 6.364 9.855 1.00 4.11 H new ATOM 1346 N ALA B 124 5.000 7.637 7.084 1.00 62.30 N ATOM 1347 CA ALA B 124 5.426 8.831 6.365 1.00 63.00 C ATOM 1348 C ALA B 124 4.689 8.964 5.037 1.00 52.20 C ATOM 1349 O ALA B 124 4.303 10.062 4.637 1.00 43.10 O ATOM 1350 CB ALA B 124 6.929 8.799 6.135 1.00 33.20 C ATOM 0 H ALA B 124 5.636 6.844 6.999 1.00 62.30 H new ATOM 0 HA ALA B 124 5.181 9.700 6.975 1.00 63.00 H new ATOM 0 HB1 ALA B 124 7.234 9.697 5.597 1.00 33.20 H new ATOM 0 HB2 ALA B 124 7.443 8.759 7.095 1.00 33.20 H new ATOM 0 HB3 ALA B 124 7.189 7.918 5.548 1.00 33.20 H new ATOM 1356 N LEU B 125 4.496 7.838 4.357 1.00 73.30 N ATOM 1357 CA LEU B 125 3.804 7.829 3.074 1.00 5.13 C ATOM 1358 C LEU B 125 2.369 8.322 3.225 1.00 54.10 C ATOM 1359 O LEU B 125 1.824 8.964 2.327 1.00 13.20 O ATOM 1360 CB LEU B 125 3.811 6.420 2.477 1.00 4.13 C ATOM 1361 CG LEU B 125 3.786 6.365 0.948 1.00 0.45 C ATOM 1362 CD1 LEU B 125 5.150 6.721 0.379 1.00 11.20 C ATOM 1363 CD2 LEU B 125 3.352 4.986 0.473 1.00 72.40 C ATOM 0 H LEU B 125 4.809 6.920 4.674 1.00 73.30 H new ATOM 0 HA LEU B 125 4.332 8.505 2.401 1.00 5.13 H new ATOM 0 HB2 LEU B 125 4.700 5.897 2.830 1.00 4.13 H new ATOM 0 HB3 LEU B 125 2.948 5.875 2.859 1.00 4.13 H new ATOM 0 HG LEU B 125 3.063 7.097 0.588 1.00 0.45 H new ATOM 0 HD11 LEU B 125 5.113 6.677 -0.709 1.00 11.20 H new ATOM 0 HD12 LEU B 125 5.423 7.729 0.692 1.00 11.20 H new ATOM 0 HD13 LEU B 125 5.893 6.013 0.746 1.00 11.20 H new ATOM 0 HD21 LEU B 125 3.339 4.964 -0.617 1.00 72.40 H new ATOM 0 HD22 LEU B 125 4.052 4.237 0.843 1.00 72.40 H new ATOM 0 HD23 LEU B 125 2.353 4.768 0.852 1.00 72.40 H new ATOM 1375 N ARG B 126 1.762 8.018 4.368 1.00 34.00 N ATOM 1376 CA ARG B 126 0.389 8.431 4.638 1.00 73.20 C ATOM 1377 C ARG B 126 0.262 9.951 4.606 1.00 31.50 C ATOM 1378 O ARG B 126 1.257 10.665 4.479 1.00 35.20 O ATOM 1379 CB ARG B 126 -0.068 7.898 5.997 1.00 52.40 C ATOM 1380 CG ARG B 126 -0.705 6.520 5.926 1.00 75.00 C ATOM 1381 CD ARG B 126 -1.827 6.372 6.941 1.00 63.10 C ATOM 1382 NE ARG B 126 -2.940 5.585 6.417 1.00 12.00 N ATOM 1383 CZ ARG B 126 -3.707 5.972 5.399 1.00 21.00 C ATOM 1384 NH1 ARG B 126 -3.483 7.132 4.795 1.00 64.20 N ATOM 1385 NH2 ARG B 126 -4.699 5.196 4.984 1.00 31.10 N ATOM 0 H ARG B 126 2.199 7.487 5.122 1.00 34.00 H new ATOM 0 HA ARG B 126 -0.249 8.014 3.859 1.00 73.20 H new ATOM 0 HB2 ARG B 126 0.789 7.859 6.670 1.00 52.40 H new ATOM 0 HB3 ARG B 126 -0.782 8.598 6.431 1.00 52.40 H new ATOM 0 HG2 ARG B 126 -1.096 6.350 4.923 1.00 75.00 H new ATOM 0 HG3 ARG B 126 0.053 5.758 6.106 1.00 75.00 H new ATOM 0 HD2 ARG B 126 -1.440 5.897 7.842 1.00 63.10 H new ATOM 0 HD3 ARG B 126 -2.186 7.360 7.231 1.00 63.10 H new ATOM 0 HE ARG B 126 -3.142 4.687 6.856 1.00 12.00 H new ATOM 0 HH11 ARG B 126 -2.721 7.732 5.110 1.00 64.20 H new ATOM 0 HH12 ARG B 126 -4.073 7.424 4.016 1.00 64.20 H new ATOM 0 HH21 ARG B 126 -4.875 4.303 5.444 1.00 31.10 H new ATOM 0 HH22 ARG B 126 -5.286 5.492 4.205 1.00 31.10 H new ATOM 1399 N ASN B 127 -0.969 10.439 4.721 1.00 64.50 N ATOM 1400 CA ASN B 127 -1.227 11.874 4.705 1.00 40.50 C ATOM 1401 C ASN B 127 -2.653 12.176 5.153 1.00 43.20 C ATOM 1402 O ASN B 127 -3.571 12.069 4.313 1.00 51.30 O ATOM 1403 CB ASN B 127 -0.989 12.441 3.305 1.00 31.00 C ATOM 1404 CG ASN B 127 -0.408 13.841 3.338 1.00 53.10 C ATOM 1405 OD1 ASN B 127 -1.083 14.796 3.723 1.00 73.10 O ATOM 1406 ND2 ASN B 127 0.850 13.970 2.934 1.00 63.10 N ATOM 1407 OXT ASN B 127 -2.840 12.516 6.340 1.00 36.40 O ATOM 0 H ASN B 127 -1.803 9.862 4.826 1.00 64.50 H new ATOM 0 HA ASN B 127 -0.538 12.349 5.403 1.00 40.50 H new ATOM 0 HB2 ASN B 127 -0.312 11.783 2.760 1.00 31.00 H new ATOM 0 HB3 ASN B 127 -1.931 12.455 2.757 1.00 31.00 H new ATOM 0 HD21 ASN B 127 1.294 14.888 2.935 1.00 63.10 H new ATOM 0 HD22 ASN B 127 1.372 13.151 2.623 1.00 63.10 H new TER 1414 ASN B 127