USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=9 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 27 GLN : amide:sc= -0.65 X(o=-4,f=-3.9) USER MOD Set 1.2: A 56 GLN : amide:sc= -3.38! C(o=-4!,f=-8.8!) USER MOD Set 2.1: A 10 GLN : amide:sc= -4.4! K(o=-4.4!,f=-0.55) USER MOD Set 2.2: A 42 SER OG : rot 140:sc= 0 USER MOD Set 3.1: A 29 ASN : amide:sc= -1.78! K(o=-3.5!,f=-0.2) USER MOD Set 3.2: A 33 GLN : amide:sc= -1.73! C(o=-3.5!,f=-0.2!) USER MOD Set 4.1: A 22 ASN : amide:sc= -11.6! C(o=-19!,f=-6.3!) USER MOD Set 4.2: A 53 ASN : amide:sc= -7.65! K(o=-19!,f=-6.3) USER MOD Single : A 1 ASP N :NH3+ -173:sc= 0.0211 (180deg=0.00776) USER MOD Single : A 4 ASN : amide:sc= -6.14! C(o=-6.1!,f=-1.3!) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0791 (180deg=-0.533) USER MOD Single : A 7 ASN : amide:sc= -0.743 K(o=-0.74,f=-3.7!) USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= -0.038 (180deg=-0.454) 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 X(o=0,f=-0.003) USER MOD Single : A 24 ASN : amide:sc= -7.28! C(o=-7.3!,f=-1.1!) USER MOD Single : A 34 SER OG : rot -45:sc= 1.11 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= -1.38 (180deg=-3.98!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 44 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.42) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0127 (180deg=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0218) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.893 15.012 79.793 1.00 4.00 N ATOM 2 CA ASP A 1 -2.633 14.241 80.833 1.00 0.02 C ATOM 3 C ASP A 1 -3.188 12.963 80.218 1.00 22.23 C ATOM 4 O ASP A 1 -2.660 11.873 80.433 1.00 11.23 O ATOM 5 CB ASP A 1 -3.780 15.097 81.378 1.00 4.31 C ATOM 6 CG ASP A 1 -3.224 16.293 82.143 1.00 21.31 C ATOM 7 OD1 ASP A 1 -2.037 16.292 82.424 1.00 62.33 O ATOM 8 OD2 ASP A 1 -3.994 17.193 82.435 1.00 55.03 O ATOM 0 H1 ASP A 1 -1.415 15.822 80.236 1.00 4.00 H new ATOM 0 H2 ASP A 1 -1.186 14.397 79.342 1.00 4.00 H new ATOM 0 H3 ASP A 1 -2.562 15.356 79.074 1.00 4.00 H new ATOM 0 HA ASP A 1 -1.958 13.982 81.649 1.00 0.02 H new ATOM 0 HB2 ASP A 1 -4.409 15.441 80.557 1.00 4.31 H new ATOM 0 HB3 ASP A 1 -4.411 14.498 82.034 1.00 4.31 H new ATOM 15 N VAL A 2 -4.263 13.115 79.450 1.00 72.12 N ATOM 16 CA VAL A 2 -4.920 11.983 78.787 1.00 65.50 C ATOM 17 C VAL A 2 -5.100 12.284 77.303 1.00 40.21 C ATOM 18 O VAL A 2 -5.084 13.444 76.892 1.00 54.31 O ATOM 19 CB VAL A 2 -6.284 11.721 79.424 1.00 42.24 C ATOM 20 CG1 VAL A 2 -6.108 11.471 80.924 1.00 71.33 C ATOM 21 CG2 VAL A 2 -7.188 12.938 79.214 1.00 32.35 C ATOM 0 H VAL A 2 -4.704 14.017 79.268 1.00 72.12 H new ATOM 0 HA VAL A 2 -4.295 11.098 78.903 1.00 65.50 H new ATOM 0 HB VAL A 2 -6.738 10.846 78.960 1.00 42.24 H new ATOM 0 HG11 VAL A 2 -7.081 11.284 81.378 1.00 71.33 H new ATOM 0 HG12 VAL A 2 -5.464 10.604 81.075 1.00 71.33 H new ATOM 0 HG13 VAL A 2 -5.653 12.346 81.388 1.00 71.33 H new ATOM 0 HG21 VAL A 2 -8.161 12.751 79.668 1.00 32.35 H new ATOM 0 HG22 VAL A 2 -6.733 13.813 79.678 1.00 32.35 H new ATOM 0 HG23 VAL A 2 -7.315 13.117 78.146 1.00 32.35 H new ATOM 31 N ASP A 3 -5.264 11.235 76.495 1.00 64.54 N ATOM 32 CA ASP A 3 -5.435 11.411 75.053 1.00 51.40 C ATOM 33 C ASP A 3 -6.311 10.313 74.452 1.00 55.22 C ATOM 34 O ASP A 3 -6.649 9.331 75.113 1.00 31.52 O ATOM 35 CB ASP A 3 -4.066 11.421 74.362 1.00 2.12 C ATOM 36 CG ASP A 3 -3.381 10.061 74.499 1.00 2.21 C ATOM 37 OD1 ASP A 3 -4.047 9.113 74.877 1.00 53.33 O ATOM 38 OD2 ASP A 3 -2.194 9.993 74.229 1.00 31.33 O ATOM 0 H ASP A 3 -5.282 10.265 76.810 1.00 64.54 H new ATOM 0 HA ASP A 3 -5.935 12.366 74.890 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -4.187 11.668 73.307 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -3.437 12.196 74.801 1.00 2.12 H new ATOM 43 N ASN A 4 -6.673 10.505 73.188 1.00 21.22 N ATOM 44 CA ASN A 4 -7.514 9.557 72.460 1.00 74.53 C ATOM 45 C ASN A 4 -6.667 8.466 71.814 1.00 2.31 C ATOM 46 O ASN A 4 -7.154 7.688 70.993 1.00 73.04 O ATOM 47 CB ASN A 4 -8.324 10.300 71.388 1.00 35.42 C ATOM 48 CG ASN A 4 -7.425 10.742 70.230 1.00 15.25 C ATOM 49 OD1 ASN A 4 -7.917 11.274 69.236 1.00 73.42 O ATOM 50 ND2 ASN A 4 -6.131 10.577 70.307 1.00 41.51 N ATOM 0 H ASN A 4 -6.394 11.318 72.640 1.00 21.22 H new ATOM 0 HA ASN A 4 -8.197 9.085 73.166 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -9.116 9.653 71.012 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -8.807 11.171 71.831 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -5.531 10.889 69.544 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -5.721 10.136 71.130 1.00 41.51 H new ATOM 57 N LYS A 5 -5.390 8.446 72.166 1.00 24.34 N ATOM 58 CA LYS A 5 -4.457 7.484 71.593 1.00 63.52 C ATOM 59 C LYS A 5 -4.909 6.041 71.813 1.00 65.42 C ATOM 60 O LYS A 5 -4.718 5.202 70.933 1.00 22.02 O ATOM 61 CB LYS A 5 -3.078 7.684 72.231 1.00 32.14 C ATOM 62 CG LYS A 5 -2.042 6.777 71.557 1.00 62.41 C ATOM 63 CD LYS A 5 -0.693 6.950 72.254 1.00 65.43 C ATOM 64 CE LYS A 5 0.378 6.162 71.496 1.00 5.34 C ATOM 65 NZ LYS A 5 -0.010 4.725 71.440 1.00 2.24 N ATOM 0 H LYS A 5 -4.975 9.084 72.845 1.00 24.34 H new ATOM 0 HA LYS A 5 -4.416 7.657 70.518 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -2.774 8.727 72.137 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -3.127 7.461 73.297 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -2.362 5.736 71.611 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -1.954 7.029 70.500 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -0.424 8.006 72.292 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -0.756 6.600 73.284 1.00 65.43 H new ATOM 0 HE2 LYS A 5 0.491 6.559 70.487 1.00 5.34 H new ATOM 0 HE3 LYS A 5 1.343 6.270 71.991 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 0.817 4.152 71.176 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -0.358 4.423 72.372 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -0.761 4.595 70.732 1.00 2.24 H new ATOM 79 N PHE A 6 -5.490 5.733 72.977 1.00 34.42 N ATOM 80 CA PHE A 6 -5.926 4.353 73.243 1.00 65.23 C ATOM 81 C PHE A 6 -7.431 4.167 73.077 1.00 31.13 C ATOM 82 O PHE A 6 -8.237 4.861 73.698 1.00 43.25 O ATOM 83 CB PHE A 6 -5.550 3.975 74.676 1.00 73.01 C ATOM 84 CG PHE A 6 -5.897 2.526 74.922 1.00 30.30 C ATOM 85 CD1 PHE A 6 -4.997 1.516 74.566 1.00 1.34 C ATOM 86 CD2 PHE A 6 -7.125 2.196 75.508 1.00 30.30 C ATOM 87 CE1 PHE A 6 -5.324 0.174 74.796 1.00 5.13 C ATOM 88 CE2 PHE A 6 -7.453 0.855 75.739 1.00 32.22 C ATOM 89 CZ PHE A 6 -6.554 -0.157 75.382 1.00 14.35 C ATOM 0 H PHE A 6 -5.667 6.396 73.732 1.00 34.42 H new ATOM 0 HA PHE A 6 -5.427 3.714 72.515 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -4.485 4.138 74.839 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -6.081 4.612 75.383 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -4.050 1.771 74.114 1.00 1.34 H new ATOM 0 HD2 PHE A 6 -7.819 2.976 75.782 1.00 30.30 H new ATOM 0 HE1 PHE A 6 -4.629 -0.606 74.522 1.00 5.13 H new ATOM 0 HE2 PHE A 6 -8.400 0.601 76.193 1.00 32.22 H new ATOM 0 HZ PHE A 6 -6.808 -1.192 75.558 1.00 14.35 H new ATOM 99 N ASN A 7 -7.785 3.164 72.273 1.00 24.33 N ATOM 100 CA ASN A 7 -9.178 2.779 72.042 1.00 2.44 C ATOM 101 C ASN A 7 -9.352 1.326 72.482 1.00 4.24 C ATOM 102 O ASN A 7 -8.526 0.472 72.144 1.00 63.22 O ATOM 103 CB ASN A 7 -9.571 2.947 70.577 1.00 1.34 C ATOM 104 CG ASN A 7 -11.064 2.683 70.423 1.00 61.41 C ATOM 105 OD1 ASN A 7 -11.462 1.638 69.922 1.00 31.24 O ATOM 106 ND2 ASN A 7 -11.920 3.576 70.836 1.00 44.11 N ATOM 0 H ASN A 7 -7.111 2.594 71.762 1.00 24.33 H new ATOM 0 HA ASN A 7 -9.832 3.430 72.622 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -9.331 3.955 70.237 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -9.002 2.257 69.954 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -12.921 3.405 70.742 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -11.588 4.446 71.253 1.00 44.11 H new ATOM 113 N LYS A 8 -10.383 1.027 73.253 1.00 61.30 N ATOM 114 CA LYS A 8 -10.546 -0.342 73.719 1.00 61.55 C ATOM 115 C LYS A 8 -10.620 -1.322 72.544 1.00 72.40 C ATOM 116 O LYS A 8 -10.086 -2.428 72.633 1.00 42.23 O ATOM 117 CB LYS A 8 -11.813 -0.458 74.570 1.00 32.14 C ATOM 118 CG LYS A 8 -11.652 0.386 75.837 1.00 14.23 C ATOM 119 CD LYS A 8 -12.865 0.182 76.744 1.00 51.30 C ATOM 120 CE LYS A 8 -12.760 1.112 77.955 1.00 52.51 C ATOM 121 NZ LYS A 8 -12.915 2.526 77.513 1.00 71.20 N ATOM 0 H LYS A 8 -11.098 1.686 73.562 1.00 61.30 H new ATOM 0 HA LYS A 8 -9.676 -0.598 74.324 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -12.679 -0.119 74.001 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -11.993 -1.500 74.834 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -10.740 0.102 76.362 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -11.554 1.439 75.575 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -13.783 0.387 76.193 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -12.916 -0.856 77.073 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -13.529 0.862 78.686 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -11.797 0.978 78.447 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -13.198 3.114 78.323 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -12.011 2.872 77.133 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -13.645 2.581 76.774 1.00 71.20 H new ATOM 135 N GLU A 9 -11.245 -0.922 71.436 1.00 72.23 N ATOM 136 CA GLU A 9 -11.311 -1.812 70.275 1.00 15.52 C ATOM 137 C GLU A 9 -9.900 -2.132 69.779 1.00 22.04 C ATOM 138 O GLU A 9 -9.634 -3.232 69.294 1.00 4.12 O ATOM 139 CB GLU A 9 -12.123 -1.180 69.137 1.00 2.22 C ATOM 140 CG GLU A 9 -12.306 -2.195 68.002 1.00 55.14 C ATOM 141 CD GLU A 9 -13.027 -1.539 66.829 1.00 44.44 C ATOM 142 OE1 GLU A 9 -13.326 -0.361 66.927 1.00 35.20 O ATOM 143 OE2 GLU A 9 -13.270 -2.225 65.849 1.00 40.33 O ATOM 0 H GLU A 9 -11.700 -0.017 71.317 1.00 72.23 H new ATOM 0 HA GLU A 9 -11.808 -2.731 70.585 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -13.096 -0.857 69.508 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -11.613 -0.292 68.764 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -11.335 -2.571 67.679 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -12.878 -3.052 68.358 1.00 55.14 H new ATOM 150 N GLN A 10 -9.005 -1.149 69.895 1.00 44.42 N ATOM 151 CA GLN A 10 -7.625 -1.312 69.443 1.00 55.14 C ATOM 152 C GLN A 10 -6.963 -2.500 70.120 1.00 44.55 C ATOM 153 O GLN A 10 -6.152 -3.194 69.517 1.00 74.40 O ATOM 154 CB GLN A 10 -6.804 -0.047 69.721 1.00 42.31 C ATOM 155 CG GLN A 10 -5.433 -0.163 69.045 1.00 54.11 C ATOM 156 CD GLN A 10 -4.562 1.031 69.418 1.00 24.14 C ATOM 157 OE1 GLN A 10 -4.267 1.241 70.594 1.00 71.44 O ATOM 158 NE2 GLN A 10 -4.132 1.830 68.480 1.00 70.02 N ATOM 0 H GLN A 10 -9.212 -0.235 70.297 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.656 -1.489 68.368 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.332 0.830 69.347 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -6.680 0.089 70.795 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -4.945 -1.088 69.351 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -5.555 -0.210 67.963 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -4.379 1.653 67.506 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -3.549 2.632 68.721 1.00 70.02 H new ATOM 167 N GLN A 11 -7.277 -2.728 71.382 1.00 23.31 N ATOM 168 CA GLN A 11 -6.644 -3.838 72.077 1.00 35.21 C ATOM 169 C GLN A 11 -6.849 -5.140 71.304 1.00 31.32 C ATOM 170 O GLN A 11 -5.941 -5.970 71.231 1.00 14.42 O ATOM 171 CB GLN A 11 -7.235 -3.989 73.478 1.00 43.44 C ATOM 172 CG GLN A 11 -6.424 -5.025 74.260 1.00 25.43 C ATOM 173 CD GLN A 11 -6.984 -5.173 75.671 1.00 5.02 C ATOM 174 OE1 GLN A 11 -7.863 -4.411 76.074 1.00 45.33 O ATOM 175 NE2 GLN A 11 -6.530 -6.119 76.447 1.00 62.12 N ATOM 0 H GLN A 11 -7.941 -2.183 71.932 1.00 23.31 H new ATOM 0 HA GLN A 11 -5.577 -3.628 72.152 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -7.219 -3.031 73.997 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -8.278 -4.300 73.414 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -6.454 -5.986 73.746 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -5.378 -4.721 74.305 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -5.802 -6.749 76.111 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -6.903 -6.228 77.390 1.00 62.12 H new ATOM 184 N ASN A 12 -8.030 -5.319 70.719 1.00 13.41 N ATOM 185 CA ASN A 12 -8.294 -6.531 69.956 1.00 72.10 C ATOM 186 C ASN A 12 -7.273 -6.696 68.833 1.00 64.04 C ATOM 187 O ASN A 12 -6.869 -7.810 68.509 1.00 71.12 O ATOM 188 CB ASN A 12 -9.691 -6.511 69.340 1.00 65.50 C ATOM 189 CG ASN A 12 -10.041 -7.915 68.849 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.299 -8.805 69.661 1.00 30.24 O ATOM 191 ND2 ASN A 12 -9.978 -8.194 67.579 1.00 22.34 N ATOM 0 H ASN A 12 -8.803 -4.655 70.757 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.221 -7.366 70.653 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.422 -6.177 70.076 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -9.727 -5.803 68.512 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -10.142 -9.148 67.258 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -9.765 -7.459 66.905 1.00 22.34 H new ATOM 198 N ALA A 13 -6.879 -5.578 68.216 1.00 31.21 N ATOM 199 CA ALA A 13 -5.929 -5.637 67.109 1.00 71.52 C ATOM 200 C ALA A 13 -4.602 -6.211 67.579 1.00 24.53 C ATOM 201 O ALA A 13 -3.928 -6.930 66.841 1.00 54.55 O ATOM 202 CB ALA A 13 -5.709 -4.232 66.518 1.00 63.24 C ATOM 0 H ALA A 13 -7.197 -4.640 68.460 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.341 -6.287 66.337 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -4.998 -4.291 65.694 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -6.657 -3.839 66.152 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.315 -3.570 67.290 1.00 63.24 H new ATOM 208 N PHE A 14 -4.231 -5.900 68.813 1.00 65.22 N ATOM 209 CA PHE A 14 -2.985 -6.409 69.350 1.00 35.44 C ATOM 210 C PHE A 14 -3.004 -7.935 69.304 1.00 4.41 C ATOM 211 O PHE A 14 -2.037 -8.569 68.882 1.00 71.43 O ATOM 212 CB PHE A 14 -2.825 -5.896 70.787 1.00 55.01 C ATOM 213 CG PHE A 14 -1.482 -6.285 71.352 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.356 -5.499 71.075 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.362 -7.419 72.162 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.889 -5.850 71.608 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.117 -7.768 72.697 1.00 42.42 C ATOM 218 CZ PHE A 14 1.009 -6.984 72.419 1.00 2.31 C ATOM 0 H PHE A 14 -4.766 -5.308 69.448 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.137 -6.063 68.759 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -2.930 -4.811 70.804 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.619 -6.303 71.413 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.449 -4.623 70.450 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.230 -8.025 72.374 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.758 -5.245 71.393 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.025 -8.642 73.324 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.970 -7.254 72.830 1.00 2.31 H new ATOM 228 N TRP A 15 -4.134 -8.512 69.709 1.00 12.23 N ATOM 229 CA TRP A 15 -4.308 -9.964 69.678 1.00 25.15 C ATOM 230 C TRP A 15 -4.181 -10.576 68.284 1.00 25.25 C ATOM 231 O TRP A 15 -3.640 -11.672 68.140 1.00 74.33 O ATOM 232 CB TRP A 15 -5.679 -10.325 70.272 1.00 34.13 C ATOM 233 CG TRP A 15 -5.642 -10.179 71.758 1.00 51.05 C ATOM 234 CD1 TRP A 15 -6.130 -9.137 72.465 1.00 42.54 C ATOM 235 CD2 TRP A 15 -5.110 -11.123 72.728 1.00 12.12 C ATOM 236 NE1 TRP A 15 -5.916 -9.375 73.812 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.294 -10.590 74.024 1.00 34.20 C ATOM 238 CE3 TRP A 15 -4.487 -12.381 72.606 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -4.875 -11.278 75.163 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -4.065 -13.076 73.750 1.00 73.32 C ATOM 241 CH2 TRP A 15 -4.260 -12.526 75.026 1.00 14.45 C ATOM 0 H TRP A 15 -4.941 -7.998 70.062 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.496 -10.384 70.272 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -6.449 -9.677 69.853 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -5.943 -11.348 70.005 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -6.608 -8.263 72.049 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -6.185 -8.732 74.557 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -4.334 -12.812 71.628 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -5.025 -10.850 76.143 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -3.588 -14.039 73.648 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -3.935 -13.067 75.902 1.00 14.45 H new ATOM 252 N GLU A 16 -4.704 -9.903 67.264 1.00 74.21 N ATOM 253 CA GLU A 16 -4.641 -10.475 65.923 1.00 41.10 C ATOM 254 C GLU A 16 -3.206 -10.627 65.437 1.00 51.32 C ATOM 255 O GLU A 16 -2.884 -11.598 64.751 1.00 41.00 O ATOM 256 CB GLU A 16 -5.431 -9.599 64.936 1.00 2.25 C ATOM 257 CG GLU A 16 -6.938 -9.617 65.262 1.00 70.52 C ATOM 258 CD GLU A 16 -7.480 -11.046 65.296 1.00 51.23 C ATOM 259 OE1 GLU A 16 -7.237 -11.772 64.347 1.00 3.24 O ATOM 260 OE2 GLU A 16 -8.129 -11.389 66.270 1.00 0.43 O ATOM 0 H GLU A 16 -5.161 -8.994 67.333 1.00 74.21 H new ATOM 0 HA GLU A 16 -5.086 -11.469 65.971 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -5.059 -8.575 64.976 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.271 -9.957 63.919 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.110 -9.137 66.225 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -7.481 -9.037 64.516 1.00 70.52 H new ATOM 267 N ILE A 17 -2.336 -9.687 65.791 1.00 1.12 N ATOM 268 CA ILE A 17 -0.949 -9.793 65.361 1.00 74.12 C ATOM 269 C ILE A 17 -0.335 -11.068 65.930 1.00 52.43 C ATOM 270 O ILE A 17 0.386 -11.790 65.244 1.00 71.24 O ATOM 271 CB ILE A 17 -0.148 -8.576 65.851 1.00 31.21 C ATOM 272 CG1 ILE A 17 -0.800 -7.259 65.384 1.00 21.11 C ATOM 273 CG2 ILE A 17 1.275 -8.648 65.289 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.171 -7.323 63.898 1.00 11.10 C ATOM 0 H ILE A 17 -2.557 -8.868 66.357 1.00 1.12 H new ATOM 0 HA ILE A 17 -0.917 -9.825 64.272 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.132 -8.593 66.941 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -1.693 -7.062 65.977 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.114 -6.429 65.555 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.847 -7.786 65.634 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.756 -9.564 65.633 1.00 5.42 H new ATOM 0 HG23 ILE A 17 1.237 -8.645 64.200 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -1.629 -6.381 63.596 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.272 -7.496 63.306 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -1.876 -8.138 63.734 1.00 11.10 H new ATOM 286 N LEU A 18 -0.628 -11.327 67.201 1.00 13.32 N ATOM 287 CA LEU A 18 -0.109 -12.511 67.872 1.00 64.35 C ATOM 288 C LEU A 18 -0.614 -13.803 67.241 1.00 73.55 C ATOM 289 O LEU A 18 0.099 -14.806 67.197 1.00 1.11 O ATOM 290 CB LEU A 18 -0.533 -12.488 69.344 1.00 23.24 C ATOM 291 CG LEU A 18 -0.033 -11.208 70.041 1.00 32.10 C ATOM 292 CD1 LEU A 18 -0.383 -11.280 71.534 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.493 -11.062 69.874 1.00 62.50 C ATOM 0 H LEU A 18 -1.220 -10.735 67.784 1.00 13.32 H new ATOM 0 HA LEU A 18 0.976 -12.489 67.775 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.619 -12.544 69.414 1.00 23.24 H new ATOM 0 HB3 LEU A 18 -0.134 -13.364 69.855 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.516 -10.343 69.586 1.00 32.10 H new ATOM 0 HD11 LEU A 18 -0.032 -10.377 72.034 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.464 -11.363 71.651 1.00 51.45 H new ATOM 0 HD13 LEU A 18 0.098 -12.151 71.979 1.00 51.45 H new ATOM 0 HD21 LEU A 18 1.828 -10.153 70.373 1.00 62.50 H new ATOM 0 HD22 LEU A 18 1.992 -11.924 70.318 1.00 62.50 H new ATOM 0 HD23 LEU A 18 1.739 -11.006 68.814 1.00 62.50 H new ATOM 305 N HIS A 19 -1.867 -13.787 66.806 1.00 44.31 N ATOM 306 CA HIS A 19 -2.481 -14.982 66.241 1.00 21.24 C ATOM 307 C HIS A 19 -1.773 -15.531 64.997 1.00 30.12 C ATOM 308 O HIS A 19 -1.573 -16.729 64.896 1.00 12.43 O ATOM 309 CB HIS A 19 -3.938 -14.686 65.896 1.00 12.43 C ATOM 310 CG HIS A 19 -4.602 -15.948 65.415 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.799 -17.039 66.246 1.00 65.23 N ATOM 312 CD2 HIS A 19 -5.124 -16.306 64.195 1.00 34.10 C ATOM 313 CE1 HIS A 19 -5.415 -17.994 65.523 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.636 -17.598 64.267 1.00 31.43 N ATOM 0 H HIS A 19 -2.474 -12.968 66.833 1.00 44.31 H new ATOM 0 HA HIS A 19 -2.397 -15.754 67.006 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.459 -14.298 66.771 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.992 -13.917 65.126 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -5.135 -15.680 63.315 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.696 -18.962 65.912 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -6.084 -18.129 63.520 1.00 31.43 H new ATOM 323 N LEU A 20 -1.414 -14.647 64.061 1.00 53.41 N ATOM 324 CA LEU A 20 -0.771 -15.050 62.787 1.00 33.53 C ATOM 325 C LEU A 20 0.193 -16.238 62.951 1.00 54.01 C ATOM 326 O LEU A 20 1.379 -16.023 63.204 1.00 31.14 O ATOM 327 CB LEU A 20 0.014 -13.860 62.207 1.00 25.23 C ATOM 328 CG LEU A 20 -0.787 -12.558 62.349 1.00 15.11 C ATOM 329 CD1 LEU A 20 -0.026 -11.416 61.678 1.00 11.51 C ATOM 330 CD2 LEU A 20 -2.150 -12.705 61.678 1.00 14.15 C ATOM 0 H LEU A 20 -1.555 -13.641 64.154 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.572 -15.361 62.116 1.00 33.53 H new ATOM 0 HB2 LEU A 20 0.969 -13.763 62.723 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.236 -14.043 61.156 1.00 25.23 H new ATOM 0 HG LEU A 20 -0.925 -12.343 63.409 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.594 -10.491 61.779 1.00 11.51 H new ATOM 0 HD12 LEU A 20 0.947 -11.298 62.155 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.113 -11.643 60.621 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.710 -11.776 61.785 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -2.013 -12.927 60.620 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.702 -13.518 62.150 1.00 14.15 H new ATOM 342 N PRO A 21 -0.253 -17.489 62.833 1.00 5.43 N ATOM 343 CA PRO A 21 0.680 -18.647 63.019 1.00 4.55 C ATOM 344 C PRO A 21 1.735 -18.717 61.911 1.00 42.01 C ATOM 345 O PRO A 21 2.866 -19.152 62.125 1.00 40.55 O ATOM 346 CB PRO A 21 -0.248 -19.872 63.007 1.00 51.03 C ATOM 347 CG PRO A 21 -1.427 -19.453 62.188 1.00 52.01 C ATOM 348 CD PRO A 21 -1.618 -17.949 62.441 1.00 10.12 C ATOM 0 HA PRO A 21 1.259 -18.572 63.940 1.00 4.55 H new ATOM 0 HB2 PRO A 21 0.248 -20.739 62.571 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.548 -20.151 64.017 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.255 -19.650 61.130 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.318 -20.011 62.475 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -1.975 -17.434 61.549 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.347 -17.763 63.230 1.00 10.12 H new ATOM 356 N ASN A 22 1.316 -18.302 60.718 1.00 21.44 N ATOM 357 CA ASN A 22 2.165 -18.318 59.528 1.00 1.13 C ATOM 358 C ASN A 22 3.436 -17.491 59.710 1.00 54.44 C ATOM 359 O ASN A 22 4.478 -17.804 59.133 1.00 64.32 O ATOM 360 CB ASN A 22 1.377 -17.774 58.331 1.00 64.41 C ATOM 361 CG ASN A 22 0.187 -18.682 58.027 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.161 -19.836 58.455 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.811 -18.221 57.318 1.00 41.12 N ATOM 0 H ASN A 22 0.376 -17.944 60.548 1.00 21.44 H new ATOM 0 HA ASN A 22 2.464 -19.352 59.355 1.00 1.13 H new ATOM 0 HB2 ASN A 22 1.028 -16.764 58.545 1.00 64.41 H new ATOM 0 HB3 ASN A 22 2.026 -17.709 57.458 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.614 -18.818 57.118 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.787 -17.264 56.965 1.00 41.12 H new ATOM 370 N LEU A 23 3.323 -16.392 60.455 1.00 72.44 N ATOM 371 CA LEU A 23 4.449 -15.472 60.637 1.00 24.15 C ATOM 372 C LEU A 23 5.252 -15.772 61.900 1.00 4.35 C ATOM 373 O LEU A 23 4.688 -16.123 62.936 1.00 20.33 O ATOM 374 CB LEU A 23 3.923 -14.038 60.742 1.00 62.31 C ATOM 375 CG LEU A 23 3.023 -13.693 59.547 1.00 5.24 C ATOM 376 CD1 LEU A 23 2.671 -12.201 59.589 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.721 -14.029 58.229 1.00 50.21 C ATOM 0 H LEU A 23 2.469 -16.117 60.940 1.00 72.44 H new ATOM 0 HA LEU A 23 5.104 -15.597 59.775 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.363 -13.919 61.670 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.761 -13.342 60.784 1.00 62.31 H new ATOM 0 HG LEU A 23 2.111 -14.286 59.610 1.00 5.24 H new ATOM 0 HD11 LEU A 23 2.032 -11.954 58.741 1.00 2.41 H new ATOM 0 HD12 LEU A 23 2.145 -11.977 60.517 1.00 2.41 H new ATOM 0 HD13 LEU A 23 3.585 -11.610 59.538 1.00 2.41 H new ATOM 0 HD21 LEU A 23 3.066 -13.777 57.395 1.00 50.21 H new ATOM 0 HD22 LEU A 23 4.645 -13.456 58.150 1.00 50.21 H new ATOM 0 HD23 LEU A 23 3.951 -15.094 58.200 1.00 50.21 H new ATOM 389 N ASN A 24 6.573 -15.589 61.814 1.00 53.33 N ATOM 390 CA ASN A 24 7.435 -15.800 62.970 1.00 34.12 C ATOM 391 C ASN A 24 7.330 -14.581 63.881 1.00 21.20 C ATOM 392 O ASN A 24 6.677 -13.599 63.529 1.00 4.03 O ATOM 393 CB ASN A 24 8.892 -16.049 62.551 1.00 54.45 C ATOM 394 CG ASN A 24 9.545 -14.784 61.995 1.00 14.24 C ATOM 395 OD1 ASN A 24 10.715 -14.816 61.612 1.00 52.10 O ATOM 396 ND2 ASN A 24 8.870 -13.675 61.913 1.00 10.10 N ATOM 0 H ASN A 24 7.059 -15.299 60.966 1.00 53.33 H new ATOM 0 HA ASN A 24 7.107 -16.691 63.504 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.462 -16.405 63.409 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.924 -16.836 61.798 1.00 54.45 H new ATOM 0 HD21 ASN A 24 9.310 -12.837 61.533 1.00 10.10 H new ATOM 0 HD22 ASN A 24 7.901 -13.643 62.229 1.00 10.10 H new ATOM 403 N GLU A 25 7.915 -14.655 65.063 1.00 2.50 N ATOM 404 CA GLU A 25 7.800 -13.552 66.011 1.00 70.01 C ATOM 405 C GLU A 25 8.404 -12.224 65.526 1.00 23.41 C ATOM 406 O GLU A 25 7.886 -11.162 65.875 1.00 54.44 O ATOM 407 CB GLU A 25 8.474 -13.949 67.325 1.00 41.34 C ATOM 408 CG GLU A 25 7.717 -15.122 67.952 1.00 14.41 C ATOM 409 CD GLU A 25 8.335 -15.486 69.298 1.00 31.22 C ATOM 410 OE1 GLU A 25 9.390 -14.957 69.606 1.00 60.43 O ATOM 411 OE2 GLU A 25 7.744 -16.290 69.999 1.00 53.54 O ATOM 0 H GLU A 25 8.465 -15.449 65.389 1.00 2.50 H new ATOM 0 HA GLU A 25 6.732 -13.374 66.135 1.00 70.01 H new ATOM 0 HB2 GLU A 25 9.512 -14.227 67.144 1.00 41.34 H new ATOM 0 HB3 GLU A 25 8.486 -13.102 68.011 1.00 41.34 H new ATOM 0 HG2 GLU A 25 6.668 -14.858 68.084 1.00 14.41 H new ATOM 0 HG3 GLU A 25 7.748 -15.983 67.284 1.00 14.41 H new ATOM 418 N GLU A 26 9.502 -12.247 64.769 1.00 15.03 N ATOM 419 CA GLU A 26 10.106 -10.976 64.348 1.00 73.00 C ATOM 420 C GLU A 26 9.159 -10.125 63.484 1.00 60.10 C ATOM 421 O GLU A 26 9.085 -8.900 63.653 1.00 20.24 O ATOM 422 CB GLU A 26 11.397 -11.265 63.569 1.00 33.15 C ATOM 423 CG GLU A 26 12.129 -9.956 63.247 1.00 23.24 C ATOM 424 CD GLU A 26 13.357 -10.246 62.391 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.571 -11.403 62.070 1.00 33.33 O ATOM 426 OE2 GLU A 26 14.064 -9.306 62.067 1.00 64.52 O ATOM 0 H GLU A 26 9.976 -13.090 64.445 1.00 15.03 H new ATOM 0 HA GLU A 26 10.320 -10.400 65.248 1.00 73.00 H new ATOM 0 HB2 GLU A 26 12.045 -11.917 64.155 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.162 -11.795 62.646 1.00 33.15 H new ATOM 0 HG2 GLU A 26 11.460 -9.275 62.720 1.00 23.24 H new ATOM 0 HG3 GLU A 26 12.427 -9.459 64.170 1.00 23.24 H new ATOM 433 N GLN A 27 8.408 -10.759 62.587 1.00 53.11 N ATOM 434 CA GLN A 27 7.464 -10.008 61.762 1.00 10.33 C ATOM 435 C GLN A 27 6.405 -9.324 62.605 1.00 42.41 C ATOM 436 O GLN A 27 5.959 -8.221 62.287 1.00 34.43 O ATOM 437 CB GLN A 27 6.793 -10.918 60.737 1.00 64.43 C ATOM 438 CG GLN A 27 7.823 -11.432 59.731 1.00 31.30 C ATOM 439 CD GLN A 27 7.135 -12.324 58.706 1.00 54.30 C ATOM 440 OE1 GLN A 27 6.981 -13.523 58.937 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.672 -11.801 57.603 1.00 5.41 N ATOM 0 H GLN A 27 8.431 -11.764 62.415 1.00 53.11 H new ATOM 0 HA GLN A 27 8.036 -9.241 61.240 1.00 10.33 H new ATOM 0 HB2 GLN A 27 6.317 -11.758 61.243 1.00 64.43 H new ATOM 0 HB3 GLN A 27 6.006 -10.373 60.216 1.00 64.43 H new ATOM 0 HG2 GLN A 27 8.308 -10.593 59.231 1.00 31.30 H new ATOM 0 HG3 GLN A 27 8.604 -11.990 60.248 1.00 31.30 H new ATOM 0 HE21 GLN A 27 6.802 -10.807 57.416 1.00 5.41 H new ATOM 0 HE22 GLN A 27 6.180 -12.387 56.928 1.00 5.41 H new ATOM 450 N ARG A 28 5.984 -9.998 63.666 1.00 62.14 N ATOM 451 CA ARG A 28 4.952 -9.450 64.522 1.00 4.15 C ATOM 452 C ARG A 28 5.386 -8.112 65.096 1.00 35.40 C ATOM 453 O ARG A 28 4.587 -7.181 65.203 1.00 32.24 O ATOM 454 CB ARG A 28 4.680 -10.441 65.650 1.00 51.12 C ATOM 455 CG ARG A 28 4.140 -11.738 65.047 1.00 62.14 C ATOM 456 CD ARG A 28 3.766 -12.707 66.164 1.00 71.02 C ATOM 457 NE ARG A 28 3.439 -14.015 65.608 1.00 31.13 N ATOM 458 CZ ARG A 28 2.949 -14.987 66.372 1.00 54.21 C ATOM 459 NH1 ARG A 28 2.763 -14.789 67.647 1.00 41.20 N ATOM 460 NH2 ARG A 28 2.653 -16.143 65.843 1.00 12.35 N ATOM 0 H ARG A 28 6.338 -10.912 63.949 1.00 62.14 H new ATOM 0 HA ARG A 28 4.045 -9.287 63.940 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.595 -10.637 66.209 1.00 51.12 H new ATOM 0 HB3 ARG A 28 3.960 -10.023 66.354 1.00 51.12 H new ATOM 0 HG2 ARG A 28 3.268 -11.527 64.428 1.00 62.14 H new ATOM 0 HG3 ARG A 28 4.890 -12.189 64.398 1.00 62.14 H new ATOM 0 HD2 ARG A 28 4.594 -12.799 66.867 1.00 71.02 H new ATOM 0 HD3 ARG A 28 2.915 -12.318 66.723 1.00 71.02 H new ATOM 0 HE ARG A 28 3.589 -14.188 64.614 1.00 31.13 H new ATOM 0 HH11 ARG A 28 2.993 -13.886 68.062 1.00 41.20 H new ATOM 0 HH12 ARG A 28 2.387 -15.537 68.230 1.00 41.20 H new ATOM 0 HH21 ARG A 28 2.798 -16.299 64.846 1.00 12.35 H new ATOM 0 HH22 ARG A 28 2.277 -16.890 66.427 1.00 12.35 H new ATOM 474 N ASN A 29 6.666 -8.013 65.434 1.00 24.15 N ATOM 475 CA ASN A 29 7.206 -6.770 65.961 1.00 60.44 C ATOM 476 C ASN A 29 7.015 -5.619 64.996 1.00 75.34 C ATOM 477 O ASN A 29 6.777 -4.485 65.415 1.00 70.51 O ATOM 478 CB ASN A 29 8.687 -6.912 66.298 1.00 73.24 C ATOM 479 CG ASN A 29 9.157 -5.639 66.993 1.00 64.23 C ATOM 480 OD1 ASN A 29 9.890 -4.844 66.404 1.00 23.13 O ATOM 481 ND2 ASN A 29 8.743 -5.376 68.201 1.00 22.23 N ATOM 0 H ASN A 29 7.342 -8.772 65.353 1.00 24.15 H new ATOM 0 HA ASN A 29 6.652 -6.550 66.873 1.00 60.44 H new ATOM 0 HB2 ASN A 29 8.846 -7.775 66.944 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.266 -7.082 65.390 1.00 73.24 H new ATOM 0 HD21 ASN A 29 9.026 -4.510 68.660 1.00 22.23 H new ATOM 0 HD22 ASN A 29 8.136 -6.036 68.687 1.00 22.23 H new ATOM 488 N GLY A 30 7.172 -5.890 63.705 1.00 62.31 N ATOM 489 CA GLY A 30 7.060 -4.812 62.736 1.00 31.33 C ATOM 490 C GLY A 30 5.726 -4.080 62.844 1.00 73.22 C ATOM 491 O GLY A 30 5.694 -2.852 62.776 1.00 3.32 O ATOM 0 H GLY A 30 7.370 -6.812 63.317 1.00 62.31 H new ATOM 0 HA2 GLY A 30 7.875 -4.104 62.886 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.171 -5.216 61.730 1.00 31.33 H new ATOM 495 N PHE A 31 4.628 -4.807 63.051 1.00 73.50 N ATOM 496 CA PHE A 31 3.345 -4.131 63.203 1.00 73.42 C ATOM 497 C PHE A 31 3.299 -3.244 64.444 1.00 41.15 C ATOM 498 O PHE A 31 2.719 -2.159 64.414 1.00 74.33 O ATOM 499 CB PHE A 31 2.161 -5.112 63.227 1.00 34.44 C ATOM 500 CG PHE A 31 1.984 -5.743 61.865 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.342 -5.012 60.858 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.467 -7.031 61.593 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.176 -5.563 59.586 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.300 -7.583 60.315 1.00 64.45 C ATOM 505 CZ PHE A 31 1.652 -6.847 59.313 1.00 32.21 C ATOM 0 H PHE A 31 4.600 -5.825 63.115 1.00 73.50 H new ATOM 0 HA PHE A 31 3.248 -3.498 62.321 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.334 -5.885 63.975 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.250 -4.588 63.515 1.00 34.44 H new ATOM 0 HD1 PHE A 31 0.974 -4.018 61.066 1.00 60.55 H new ATOM 0 HD2 PHE A 31 2.966 -7.596 62.366 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.679 -4.996 58.813 1.00 24.35 H new ATOM 0 HE2 PHE A 31 2.670 -8.575 60.102 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.521 -7.273 58.329 1.00 32.21 H new ATOM 515 N ILE A 32 3.872 -3.722 65.549 1.00 5.31 N ATOM 516 CA ILE A 32 3.826 -2.955 66.791 1.00 13.12 C ATOM 517 C ILE A 32 4.468 -1.582 66.649 1.00 53.33 C ATOM 518 O ILE A 32 3.920 -0.581 67.108 1.00 22.52 O ATOM 519 CB ILE A 32 4.572 -3.713 67.898 1.00 3.21 C ATOM 520 CG1 ILE A 32 3.920 -5.083 68.109 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.503 -2.899 69.197 1.00 2.52 C ATOM 522 CD1 ILE A 32 4.732 -5.907 69.114 1.00 12.55 C ATOM 0 H ILE A 32 4.362 -4.615 65.610 1.00 5.31 H new ATOM 0 HA ILE A 32 2.773 -2.824 67.041 1.00 13.12 H new ATOM 0 HB ILE A 32 5.614 -3.854 67.611 1.00 3.21 H new ATOM 0 HG12 ILE A 32 2.900 -4.956 68.472 1.00 51.24 H new ATOM 0 HG13 ILE A 32 3.857 -5.614 67.159 1.00 51.24 H new ATOM 0 HG21 ILE A 32 5.031 -3.431 69.988 1.00 2.52 H new ATOM 0 HG22 ILE A 32 4.968 -1.926 69.042 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.461 -2.761 69.485 1.00 2.52 H new ATOM 0 HD11 ILE A 32 4.258 -6.878 69.255 1.00 12.55 H new ATOM 0 HD12 ILE A 32 5.744 -6.049 68.735 1.00 12.55 H new ATOM 0 HD13 ILE A 32 4.772 -5.381 70.068 1.00 12.55 H new ATOM 534 N GLN A 33 5.648 -1.543 66.044 1.00 33.25 N ATOM 535 CA GLN A 33 6.355 -0.280 65.899 1.00 44.43 C ATOM 536 C GLN A 33 5.561 0.718 65.056 1.00 41.02 C ATOM 537 O GLN A 33 5.526 1.921 65.347 1.00 62.52 O ATOM 538 CB GLN A 33 7.713 -0.564 65.259 1.00 11.33 C ATOM 539 CG GLN A 33 8.520 -1.440 66.222 1.00 23.13 C ATOM 540 CD GLN A 33 9.877 -1.797 65.628 1.00 61.31 C ATOM 541 OE1 GLN A 33 10.138 -1.521 64.458 1.00 3.21 O ATOM 542 NE2 GLN A 33 10.739 -2.455 66.358 1.00 22.34 N ATOM 0 H GLN A 33 6.127 -2.354 65.653 1.00 33.25 H new ATOM 0 HA GLN A 33 6.487 0.173 66.882 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.584 -1.070 64.302 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.242 0.368 65.059 1.00 11.33 H new ATOM 0 HG2 GLN A 33 8.659 -0.915 67.167 1.00 23.13 H new ATOM 0 HG3 GLN A 33 7.964 -2.351 66.443 1.00 23.13 H new ATOM 0 HE21 GLN A 33 10.518 -2.682 67.328 1.00 22.34 H new ATOM 0 HE22 GLN A 33 11.632 -2.742 65.958 1.00 22.34 H new ATOM 551 N SER A 34 4.907 0.208 64.017 1.00 11.43 N ATOM 552 CA SER A 34 4.111 1.064 63.154 1.00 62.44 C ATOM 553 C SER A 34 2.933 1.662 63.902 1.00 44.14 C ATOM 554 O SER A 34 2.474 2.758 63.579 1.00 31.42 O ATOM 555 CB SER A 34 3.600 0.270 61.955 1.00 73.44 C ATOM 556 OG SER A 34 2.654 -0.695 62.397 1.00 55.11 O ATOM 0 H SER A 34 4.913 -0.778 63.757 1.00 11.43 H new ATOM 0 HA SER A 34 4.751 1.877 62.812 1.00 62.44 H new ATOM 0 HB2 SER A 34 3.140 0.941 61.230 1.00 73.44 H new ATOM 0 HB3 SER A 34 4.431 -0.223 61.451 1.00 73.44 H new ATOM 0 HG SER A 34 2.999 -1.151 63.193 1.00 55.11 H new ATOM 562 N LEU A 35 2.425 0.928 64.890 1.00 61.32 N ATOM 563 CA LEU A 35 1.280 1.408 65.642 1.00 34.02 C ATOM 564 C LEU A 35 1.597 2.736 66.312 1.00 42.43 C ATOM 565 O LEU A 35 0.769 3.647 66.332 1.00 22.40 O ATOM 566 CB LEU A 35 0.923 0.356 66.708 1.00 22.42 C ATOM 567 CG LEU A 35 -0.347 0.744 67.488 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.594 0.541 66.623 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.456 -0.137 68.737 1.00 41.21 C ATOM 0 H LEU A 35 2.783 0.018 65.180 1.00 61.32 H new ATOM 0 HA LEU A 35 0.439 1.563 64.966 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.774 -0.612 66.229 1.00 22.42 H new ATOM 0 HB3 LEU A 35 1.756 0.244 67.402 1.00 22.42 H new ATOM 0 HG LEU A 35 -0.280 1.795 67.769 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.481 0.821 67.192 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.524 1.164 65.731 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.667 -0.506 66.329 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -1.353 0.132 69.295 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.514 -1.184 68.440 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.421 0.014 69.366 1.00 41.21 H new ATOM 581 N LYS A 36 2.806 2.844 66.853 1.00 14.21 N ATOM 582 CA LYS A 36 3.214 4.075 67.511 1.00 33.34 C ATOM 583 C LYS A 36 3.222 5.259 66.547 1.00 11.12 C ATOM 584 O LYS A 36 2.838 6.368 66.914 1.00 20.33 O ATOM 585 CB LYS A 36 4.608 3.895 68.128 1.00 73.11 C ATOM 586 CG LYS A 36 4.950 5.099 69.015 1.00 31.42 C ATOM 587 CD LYS A 36 6.437 5.060 69.396 1.00 4.15 C ATOM 588 CE LYS A 36 6.713 3.884 70.344 1.00 25.42 C ATOM 589 NZ LYS A 36 6.884 2.637 69.547 1.00 71.12 N ATOM 0 H LYS A 36 3.509 2.105 66.849 1.00 14.21 H new ATOM 0 HA LYS A 36 2.487 4.291 68.294 1.00 33.34 H new ATOM 0 HB2 LYS A 36 4.638 2.979 68.718 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.353 3.791 67.339 1.00 73.11 H new ATOM 0 HG2 LYS A 36 4.725 6.026 68.488 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.334 5.086 69.914 1.00 31.42 H new ATOM 0 HD2 LYS A 36 7.047 4.963 68.498 1.00 4.15 H new ATOM 0 HD3 LYS A 36 6.721 5.997 69.875 1.00 4.15 H new ATOM 0 HE2 LYS A 36 7.610 4.079 70.932 1.00 25.42 H new ATOM 0 HE3 LYS A 36 5.889 3.769 71.048 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 6.078 2.003 69.718 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 6.929 2.875 68.536 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 7.765 2.162 69.830 1.00 71.12 H new ATOM 603 N ASP A 37 3.717 5.029 65.328 1.00 24.34 N ATOM 604 CA ASP A 37 3.820 6.118 64.352 1.00 34.10 C ATOM 605 C ASP A 37 2.478 6.773 64.002 1.00 0.00 C ATOM 606 O ASP A 37 2.397 7.995 63.879 1.00 4.30 O ATOM 607 CB ASP A 37 4.459 5.578 63.073 1.00 73.02 C ATOM 608 CG ASP A 37 4.780 6.724 62.121 1.00 31.53 C ATOM 609 OD1 ASP A 37 4.603 7.863 62.518 1.00 40.14 O ATOM 610 OD2 ASP A 37 5.198 6.444 61.010 1.00 72.31 O ATOM 0 H ASP A 37 4.046 4.122 64.998 1.00 24.34 H new ATOM 0 HA ASP A 37 4.431 6.893 64.815 1.00 34.10 H new ATOM 0 HB2 ASP A 37 5.370 5.031 63.316 1.00 73.02 H new ATOM 0 HB3 ASP A 37 3.783 4.873 62.590 1.00 73.02 H new ATOM 615 N ASP A 38 1.428 5.964 63.838 1.00 14.53 N ATOM 616 CA ASP A 38 0.095 6.491 63.497 1.00 52.01 C ATOM 617 C ASP A 38 -1.004 5.838 64.338 1.00 55.12 C ATOM 618 O ASP A 38 -1.727 4.989 63.816 1.00 54.45 O ATOM 619 CB ASP A 38 -0.186 6.236 62.016 1.00 64.33 C ATOM 620 CG ASP A 38 -0.105 4.743 61.715 1.00 75.33 C ATOM 621 OD1 ASP A 38 0.089 3.979 62.647 1.00 43.15 O ATOM 622 OD2 ASP A 38 -0.241 4.385 60.556 1.00 43.12 O ATOM 0 H ASP A 38 1.469 4.949 63.934 1.00 14.53 H new ATOM 0 HA ASP A 38 0.092 7.560 63.708 1.00 52.01 H new ATOM 0 HB2 ASP A 38 -1.175 6.614 61.755 1.00 64.33 H new ATOM 0 HB3 ASP A 38 0.534 6.778 61.403 1.00 64.33 H new ATOM 627 N PRO A 39 -1.167 6.156 65.597 1.00 2.35 N ATOM 628 CA PRO A 39 -2.233 5.487 66.399 1.00 63.52 C ATOM 629 C PRO A 39 -3.636 5.679 65.796 1.00 2.21 C ATOM 630 O PRO A 39 -4.486 4.797 65.909 1.00 61.23 O ATOM 631 CB PRO A 39 -2.107 6.131 67.799 1.00 53.14 C ATOM 632 CG PRO A 39 -1.307 7.387 67.599 1.00 51.34 C ATOM 633 CD PRO A 39 -0.408 7.139 66.385 1.00 64.23 C ATOM 0 HA PRO A 39 -2.106 4.405 66.425 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -3.089 6.355 68.217 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.610 5.457 68.497 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -1.962 8.242 67.429 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.711 7.613 68.483 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.231 8.055 65.822 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.568 6.752 66.679 1.00 64.23 H new ATOM 641 N SER A 40 -3.870 6.820 65.144 1.00 4.33 N ATOM 642 CA SER A 40 -5.173 7.073 64.520 1.00 13.21 C ATOM 643 C SER A 40 -5.499 6.027 63.449 1.00 51.10 C ATOM 644 O SER A 40 -6.649 5.617 63.284 1.00 32.13 O ATOM 645 CB SER A 40 -5.182 8.464 63.885 1.00 51.14 C ATOM 646 OG SER A 40 -6.499 8.773 63.444 1.00 23.14 O ATOM 0 H SER A 40 -3.189 7.572 65.034 1.00 4.33 H new ATOM 0 HA SER A 40 -5.932 7.011 65.300 1.00 13.21 H new ATOM 0 HB2 SER A 40 -4.844 9.208 64.607 1.00 51.14 H new ATOM 0 HB3 SER A 40 -4.488 8.497 63.045 1.00 51.14 H new ATOM 0 HG SER A 40 -6.507 9.665 63.038 1.00 23.14 H new ATOM 652 N GLN A 41 -4.463 5.623 62.717 1.00 64.11 N ATOM 653 CA GLN A 41 -4.584 4.640 61.633 1.00 21.21 C ATOM 654 C GLN A 41 -4.453 3.200 62.092 1.00 63.34 C ATOM 655 O GLN A 41 -4.285 2.306 61.264 1.00 64.12 O ATOM 656 CB GLN A 41 -3.585 4.919 60.513 1.00 4.21 C ATOM 657 CG GLN A 41 -3.910 6.268 59.882 1.00 53.11 C ATOM 658 CD GLN A 41 -2.918 6.576 58.773 1.00 73.40 C ATOM 659 OE1 GLN A 41 -1.787 6.085 58.789 1.00 23.22 O ATOM 660 NE2 GLN A 41 -3.311 7.296 57.762 1.00 31.31 N ATOM 0 H GLN A 41 -3.513 5.966 62.856 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.599 4.760 61.254 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.569 4.923 60.907 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -3.632 4.131 59.762 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -4.924 6.257 59.481 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -3.876 7.051 60.640 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -4.248 7.699 57.756 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -2.682 7.457 56.976 1.00 31.31 H new ATOM 669 N SER A 42 -4.488 2.957 63.388 1.00 22.41 N ATOM 670 CA SER A 42 -4.318 1.594 63.857 1.00 32.10 C ATOM 671 C SER A 42 -5.374 0.694 63.247 1.00 23.14 C ATOM 672 O SER A 42 -5.112 -0.484 63.005 1.00 21.14 O ATOM 673 CB SER A 42 -4.451 1.553 65.376 1.00 2.01 C ATOM 674 OG SER A 42 -5.794 1.855 65.734 1.00 23.11 O ATOM 0 H SER A 42 -4.628 3.659 64.115 1.00 22.41 H new ATOM 0 HA SER A 42 -3.329 1.245 63.560 1.00 32.10 H new ATOM 0 HB2 SER A 42 -4.174 0.568 65.751 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.770 2.271 65.833 1.00 2.01 H new ATOM 0 HG SER A 42 -6.074 1.274 66.472 1.00 23.11 H new ATOM 680 N ALA A 43 -6.548 1.230 62.954 1.00 65.21 N ATOM 681 CA ALA A 43 -7.550 0.393 62.327 1.00 63.33 C ATOM 682 C ALA A 43 -7.060 -0.051 60.952 1.00 54.34 C ATOM 683 O ALA A 43 -7.205 -1.216 60.569 1.00 22.33 O ATOM 684 CB ALA A 43 -8.847 1.183 62.157 1.00 1.04 C ATOM 0 H ALA A 43 -6.821 2.197 63.131 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.728 -0.479 62.956 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.599 0.551 61.685 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.206 1.507 63.134 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.662 2.056 61.531 1.00 1.04 H new ATOM 690 N ASN A 44 -6.454 0.888 60.218 1.00 0.42 N ATOM 691 CA ASN A 44 -5.929 0.573 58.896 1.00 64.12 C ATOM 692 C ASN A 44 -4.859 -0.512 58.961 1.00 64.33 C ATOM 693 O ASN A 44 -4.782 -1.376 58.085 1.00 73.11 O ATOM 694 CB ASN A 44 -5.305 1.826 58.281 1.00 33.42 C ATOM 695 CG ASN A 44 -6.342 2.938 58.123 1.00 41.31 C ATOM 696 OD1 ASN A 44 -7.487 2.680 57.751 1.00 74.23 O ATOM 697 ND2 ASN A 44 -6.001 4.168 58.413 1.00 54.12 N ATOM 0 H ASN A 44 -6.319 1.855 60.515 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.760 0.213 58.289 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.487 2.175 58.911 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -4.877 1.583 57.308 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -6.686 4.920 58.331 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -5.051 4.375 58.721 1.00 54.12 H new ATOM 704 N LEU A 45 -4.020 -0.448 60.000 1.00 41.32 N ATOM 705 CA LEU A 45 -2.943 -1.421 60.157 1.00 63.54 C ATOM 706 C LEU A 45 -3.481 -2.825 60.351 1.00 61.15 C ATOM 707 O LEU A 45 -2.898 -3.796 59.869 1.00 54.24 O ATOM 708 CB LEU A 45 -2.071 -1.053 61.369 1.00 51.25 C ATOM 709 CG LEU A 45 -1.488 0.362 61.220 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.542 0.634 62.394 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.711 0.491 59.898 1.00 11.44 C ATOM 0 H LEU A 45 -4.067 0.259 60.734 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.349 -1.398 59.243 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.666 -1.111 62.280 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.261 -1.775 61.471 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.304 1.085 61.215 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.122 1.635 62.299 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.094 0.560 63.331 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.264 -0.099 62.389 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.306 1.499 59.811 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.106 -0.231 59.884 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.382 0.296 59.061 1.00 11.44 H new ATOM 723 N LEU A 46 -4.584 -2.932 61.081 1.00 71.41 N ATOM 724 CA LEU A 46 -5.159 -4.236 61.348 1.00 61.10 C ATOM 725 C LEU A 46 -5.546 -4.949 60.060 1.00 31.50 C ATOM 726 O LEU A 46 -5.349 -6.158 59.931 1.00 54.02 O ATOM 727 CB LEU A 46 -6.372 -4.066 62.270 1.00 60.53 C ATOM 728 CG LEU A 46 -6.963 -5.438 62.654 1.00 44.45 C ATOM 729 CD1 LEU A 46 -6.007 -6.200 63.580 1.00 64.30 C ATOM 730 CD2 LEU A 46 -8.299 -5.215 63.373 1.00 0.20 C ATOM 0 H LEU A 46 -5.088 -2.145 61.490 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.413 -4.859 61.841 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.078 -3.527 63.170 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.132 -3.464 61.772 1.00 60.53 H new ATOM 0 HG LEU A 46 -7.111 -6.029 61.750 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -6.443 -7.165 63.839 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -5.056 -6.356 63.072 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -5.842 -5.621 64.489 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.728 -6.178 63.650 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -8.134 -4.619 64.271 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -8.986 -4.689 62.710 1.00 0.20 H new ATOM 742 N ALA A 47 -6.090 -4.206 59.104 1.00 34.35 N ATOM 743 CA ALA A 47 -6.481 -4.814 57.839 1.00 53.05 C ATOM 744 C ALA A 47 -5.276 -5.336 57.058 1.00 12.35 C ATOM 745 O ALA A 47 -5.354 -6.369 56.394 1.00 23.24 O ATOM 746 CB ALA A 47 -7.231 -3.791 56.984 1.00 33.42 C ATOM 0 H ALA A 47 -6.267 -3.204 59.176 1.00 34.35 H new ATOM 0 HA ALA A 47 -7.126 -5.662 58.069 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.522 -4.250 56.039 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -8.123 -3.457 57.515 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.584 -2.936 56.788 1.00 33.42 H new ATOM 752 N GLU A 48 -4.174 -4.591 57.115 1.00 4.11 N ATOM 753 CA GLU A 48 -2.969 -4.960 56.381 1.00 71.31 C ATOM 754 C GLU A 48 -2.353 -6.274 56.850 1.00 53.14 C ATOM 755 O GLU A 48 -1.779 -7.011 56.048 1.00 1.34 O ATOM 756 CB GLU A 48 -1.923 -3.847 56.533 1.00 1.10 C ATOM 757 CG GLU A 48 -2.410 -2.550 55.868 1.00 43.35 C ATOM 758 CD GLU A 48 -2.614 -2.742 54.366 1.00 0.13 C ATOM 759 OE1 GLU A 48 -2.093 -3.706 53.830 1.00 1.25 O ATOM 760 OE2 GLU A 48 -3.289 -1.916 53.772 1.00 22.11 O ATOM 0 H GLU A 48 -4.092 -3.732 57.660 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.265 -5.093 55.341 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.726 -3.668 57.590 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -0.982 -4.162 56.082 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -3.346 -2.232 56.327 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -1.684 -1.755 56.040 1.00 43.35 H new ATOM 767 N ALA A 49 -2.424 -6.550 58.148 1.00 33.23 N ATOM 768 CA ALA A 49 -1.804 -7.766 58.662 1.00 2.00 C ATOM 769 C ALA A 49 -2.444 -9.034 58.106 1.00 71.01 C ATOM 770 O ALA A 49 -1.745 -9.998 57.781 1.00 35.52 O ATOM 771 CB ALA A 49 -1.909 -7.783 60.188 1.00 23.43 C ATOM 0 H ALA A 49 -2.889 -5.969 58.845 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.762 -7.756 58.342 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.446 -8.691 60.574 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.397 -6.912 60.598 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.959 -7.758 60.481 1.00 23.43 H new ATOM 777 N LYS A 50 -3.767 -9.043 57.996 1.00 4.25 N ATOM 778 CA LYS A 50 -4.443 -10.223 57.482 1.00 23.31 C ATOM 779 C LYS A 50 -4.004 -10.555 56.060 1.00 72.12 C ATOM 780 O LYS A 50 -3.826 -11.722 55.710 1.00 75.31 O ATOM 781 CB LYS A 50 -5.959 -10.005 57.510 1.00 25.20 C ATOM 782 CG LYS A 50 -6.672 -11.296 57.090 1.00 15.54 C ATOM 783 CD LYS A 50 -8.192 -11.112 57.201 1.00 73.13 C ATOM 784 CE LYS A 50 -8.688 -10.108 56.152 1.00 33.33 C ATOM 785 NZ LYS A 50 -10.145 -10.317 55.922 1.00 30.21 N ATOM 0 H LYS A 50 -4.378 -8.267 58.249 1.00 4.25 H new ATOM 0 HA LYS A 50 -4.173 -11.063 58.122 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -6.276 -9.712 58.511 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -6.232 -9.192 56.838 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.402 -11.555 56.066 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.350 -12.123 57.723 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.692 -12.070 57.061 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.450 -10.761 58.200 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -8.504 -9.089 56.492 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.139 -10.237 55.220 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -10.485 -9.638 55.211 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -10.307 -11.286 55.581 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -10.661 -10.173 56.813 1.00 30.21 H new ATOM 799 N LYS A 51 -3.865 -9.522 55.232 1.00 23.43 N ATOM 800 CA LYS A 51 -3.486 -9.728 53.839 1.00 54.50 C ATOM 801 C LYS A 51 -2.126 -10.400 53.671 1.00 75.32 C ATOM 802 O LYS A 51 -1.959 -11.243 52.788 1.00 61.01 O ATOM 803 CB LYS A 51 -3.485 -8.383 53.112 1.00 24.15 C ATOM 804 CG LYS A 51 -4.910 -7.828 53.088 1.00 5.50 C ATOM 805 CD LYS A 51 -4.947 -6.539 52.265 1.00 53.11 C ATOM 806 CE LYS A 51 -6.347 -5.924 52.348 1.00 31.35 C ATOM 807 NZ LYS A 51 -7.327 -6.821 51.673 1.00 54.42 N ATOM 0 H LYS A 51 -4.007 -8.547 55.498 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.223 -10.405 53.408 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -2.817 -7.684 53.615 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -3.111 -8.505 52.095 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -5.590 -8.564 52.660 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -5.252 -7.632 54.104 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -4.205 -5.834 52.639 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -4.691 -6.750 51.227 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -6.630 -5.778 53.390 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -6.352 -4.942 51.876 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -8.212 -6.303 51.503 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -6.935 -7.143 50.765 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -7.519 -7.644 52.279 1.00 54.42 H new ATOM 821 N LEU A 52 -1.149 -10.034 54.500 1.00 14.24 N ATOM 822 CA LEU A 52 0.172 -10.642 54.369 1.00 55.12 C ATOM 823 C LEU A 52 0.086 -12.142 54.600 1.00 73.34 C ATOM 824 O LEU A 52 0.762 -12.930 53.936 1.00 73.02 O ATOM 825 CB LEU A 52 1.163 -10.010 55.360 1.00 71.21 C ATOM 826 CG LEU A 52 2.585 -10.564 55.130 1.00 72.12 C ATOM 827 CD1 LEU A 52 3.174 -10.010 53.819 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.476 -10.144 56.302 1.00 45.20 C ATOM 0 H LEU A 52 -1.241 -9.343 55.245 1.00 14.24 H new ATOM 0 HA LEU A 52 0.534 -10.460 53.357 1.00 55.12 H new ATOM 0 HB2 LEU A 52 1.165 -8.927 55.241 1.00 71.21 H new ATOM 0 HB3 LEU A 52 0.846 -10.217 56.382 1.00 71.21 H new ATOM 0 HG LEU A 52 2.538 -11.651 55.061 1.00 72.12 H new ATOM 0 HD11 LEU A 52 4.177 -10.411 53.673 1.00 53.43 H new ATOM 0 HD12 LEU A 52 2.540 -10.304 52.982 1.00 53.43 H new ATOM 0 HD13 LEU A 52 3.222 -8.922 53.873 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.484 -10.530 56.150 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.510 -9.056 56.362 1.00 45.20 H new ATOM 0 HD23 LEU A 52 3.070 -10.546 57.230 1.00 45.20 H new ATOM 840 N ASN A 53 -0.746 -12.525 55.562 1.00 30.55 N ATOM 841 CA ASN A 53 -0.911 -13.930 55.896 1.00 12.22 C ATOM 842 C ASN A 53 -1.346 -14.754 54.691 1.00 20.35 C ATOM 843 O ASN A 53 -0.898 -15.890 54.510 1.00 22.15 O ATOM 844 CB ASN A 53 -1.974 -14.046 56.994 1.00 4.55 C ATOM 845 CG ASN A 53 -2.072 -15.480 57.498 1.00 21.40 C ATOM 846 OD1 ASN A 53 -3.011 -16.198 57.154 1.00 11.02 O ATOM 847 ND2 ASN A 53 -1.167 -15.935 58.314 1.00 12.51 N ATOM 0 H ASN A 53 -1.312 -11.885 56.120 1.00 30.55 H new ATOM 0 HA ASN A 53 0.050 -14.318 56.234 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.724 -13.381 57.821 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -2.941 -13.724 56.607 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -1.234 -16.888 58.670 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -0.390 -15.338 58.598 1.00 12.51 H new ATOM 854 N ASP A 54 -2.248 -14.188 53.892 1.00 50.01 N ATOM 855 CA ASP A 54 -2.767 -14.888 52.724 1.00 62.34 C ATOM 856 C ASP A 54 -1.704 -15.264 51.687 1.00 11.11 C ATOM 857 O ASP A 54 -1.777 -16.343 51.099 1.00 73.25 O ATOM 858 CB ASP A 54 -3.833 -14.021 52.051 1.00 11.40 C ATOM 859 CG ASP A 54 -4.521 -14.807 50.941 1.00 5.23 C ATOM 860 OD1 ASP A 54 -5.444 -15.544 51.248 1.00 44.54 O ATOM 861 OD2 ASP A 54 -4.117 -14.658 49.800 1.00 12.01 O ATOM 0 H ASP A 54 -2.631 -13.253 54.032 1.00 50.01 H new ATOM 0 HA ASP A 54 -3.181 -15.826 53.093 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -4.568 -13.697 52.788 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -3.375 -13.121 51.640 1.00 11.40 H new ATOM 866 N ALA A 55 -0.739 -14.375 51.422 1.00 63.33 N ATOM 867 CA ALA A 55 0.264 -14.690 50.403 1.00 75.40 C ATOM 868 C ALA A 55 1.193 -15.821 50.826 1.00 54.24 C ATOM 869 O ALA A 55 1.377 -16.793 50.094 1.00 42.04 O ATOM 870 CB ALA A 55 1.096 -13.443 50.101 1.00 14.55 C ATOM 0 H ALA A 55 -0.633 -13.469 51.878 1.00 63.33 H new ATOM 0 HA ALA A 55 -0.273 -15.020 49.514 1.00 75.40 H new ATOM 0 HB1 ALA A 55 1.842 -13.679 49.342 1.00 14.55 H new ATOM 0 HB2 ALA A 55 0.444 -12.650 49.735 1.00 14.55 H new ATOM 0 HB3 ALA A 55 1.596 -13.110 51.011 1.00 14.55 H new ATOM 876 N GLN A 56 1.753 -15.700 52.023 1.00 13.12 N ATOM 877 CA GLN A 56 2.633 -16.730 52.551 1.00 70.45 C ATOM 878 C GLN A 56 1.902 -18.050 52.730 1.00 74.21 C ATOM 879 O GLN A 56 2.484 -19.127 52.591 1.00 61.33 O ATOM 880 CB GLN A 56 3.297 -16.269 53.847 1.00 75.40 C ATOM 881 CG GLN A 56 4.211 -15.083 53.522 1.00 42.42 C ATOM 882 CD GLN A 56 4.873 -14.562 54.786 1.00 1.22 C ATOM 883 OE1 GLN A 56 4.442 -14.888 55.884 1.00 75.44 O ATOM 884 NE2 GLN A 56 5.905 -13.768 54.696 1.00 25.51 N ATOM 0 H GLN A 56 1.613 -14.902 52.643 1.00 13.12 H new ATOM 0 HA GLN A 56 3.423 -16.902 51.820 1.00 70.45 H new ATOM 0 HB2 GLN A 56 2.543 -15.978 54.578 1.00 75.40 H new ATOM 0 HB3 GLN A 56 3.872 -17.082 54.289 1.00 75.40 H new ATOM 0 HG2 GLN A 56 4.973 -15.389 52.805 1.00 42.42 H new ATOM 0 HG3 GLN A 56 3.632 -14.288 53.053 1.00 42.42 H new ATOM 0 HE21 GLN A 56 6.262 -13.498 53.780 1.00 25.51 H new ATOM 0 HE22 GLN A 56 6.354 -13.418 55.542 1.00 25.51 H new ATOM 893 N ALA A 57 0.622 -17.950 53.087 1.00 41.45 N ATOM 894 CA ALA A 57 -0.214 -19.121 53.345 1.00 3.34 C ATOM 895 C ALA A 57 -1.471 -19.115 52.480 1.00 45.42 C ATOM 896 O ALA A 57 -2.541 -18.720 52.937 1.00 70.24 O ATOM 897 CB ALA A 57 -0.626 -19.123 54.805 1.00 15.43 C ATOM 0 H ALA A 57 0.138 -17.060 53.205 1.00 41.45 H new ATOM 0 HA ALA A 57 0.366 -20.011 53.102 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -1.250 -19.994 55.006 1.00 15.43 H new ATOM 0 HB2 ALA A 57 0.263 -19.161 55.434 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -1.188 -18.215 55.026 1.00 15.43 H new ATOM 903 N PRO A 58 -1.364 -19.531 51.251 1.00 72.22 N ATOM 904 CA PRO A 58 -2.524 -19.569 50.313 1.00 5.45 C ATOM 905 C PRO A 58 -3.694 -20.393 50.867 1.00 32.31 C ATOM 906 O PRO A 58 -4.827 -20.258 50.406 1.00 74.14 O ATOM 907 CB PRO A 58 -1.945 -20.212 49.036 1.00 52.14 C ATOM 908 CG PRO A 58 -0.470 -19.979 49.121 1.00 51.21 C ATOM 909 CD PRO A 58 -0.130 -20.009 50.610 1.00 1.22 C ATOM 0 HA PRO A 58 -2.941 -18.577 50.140 1.00 5.45 H new ATOM 0 HB2 PRO A 58 -2.175 -21.277 48.991 1.00 52.14 H new ATOM 0 HB3 PRO A 58 -2.366 -19.757 48.139 1.00 52.14 H new ATOM 0 HG2 PRO A 58 0.079 -20.748 48.579 1.00 51.21 H new ATOM 0 HG3 PRO A 58 -0.199 -19.021 48.677 1.00 51.21 H new ATOM 0 HD2 PRO A 58 0.132 -21.014 50.942 1.00 1.22 H new ATOM 0 HD3 PRO A 58 0.718 -19.365 50.841 1.00 1.22 H new ATOM 917 N LYS A 59 -3.412 -21.267 51.838 1.00 51.24 N ATOM 918 CA LYS A 59 -4.459 -22.118 52.407 1.00 3.44 C ATOM 919 C LYS A 59 -5.334 -22.705 51.302 1.00 22.42 C ATOM 920 O LYS A 59 -4.867 -23.600 50.618 1.00 61.53 O ATOM 921 CB LYS A 59 -5.337 -21.329 53.384 1.00 35.24 C ATOM 922 CG LYS A 59 -4.507 -20.882 54.588 1.00 25.14 C ATOM 923 CD LYS A 59 -5.421 -20.197 55.607 1.00 31.13 C ATOM 924 CE LYS A 59 -4.582 -19.644 56.761 1.00 53.14 C ATOM 925 NZ LYS A 59 -4.151 -20.766 57.642 1.00 14.35 N ATOM 926 OXT LYS A 59 -6.457 -22.251 51.159 1.00 61.53 O ATOM 0 H LYS A 59 -2.484 -21.402 52.240 1.00 51.24 H new ATOM 0 HA LYS A 59 -3.968 -22.928 52.947 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -5.763 -20.460 52.883 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -6.172 -21.946 53.716 1.00 35.24 H new ATOM 0 HG2 LYS A 59 -4.015 -21.741 55.044 1.00 25.14 H new ATOM 0 HG3 LYS A 59 -3.722 -20.197 54.269 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -5.975 -19.390 55.128 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -6.156 -20.907 55.986 1.00 31.13 H new ATOM 0 HE2 LYS A 59 -3.711 -19.117 56.372 1.00 53.14 H new ATOM 0 HE3 LYS A 59 -5.163 -18.920 57.333 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -3.668 -20.384 58.480 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -4.984 -21.312 57.941 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -3.500 -21.387 57.120 1.00 14.35 H new TER 940 LYS A 59