USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot -127:sc= 0.0122 USER MOD Set 1.2: A 108 GLN : amide:sc= 0.0105 X(o=0.023,f=-0.29) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.417 USER MOD Set 2.2: A 85 THR OG1 : rot -76:sc= 0.447 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.156 K(o=0.23,f=-0.45) USER MOD Set 3.2: A 70 THR OG1 : rot 8:sc= 0.0756 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.946 K(o=-0.95,f=0.2) USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc=0.000647 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.033) USER MOD Single : A 17 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.72) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.02 (180deg=1.01) USER MOD Single : A 28 GLN : amide:sc= 1.08 K(o=1.1,f=-4!) USER MOD Single : A 32 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.92) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.00921 (180deg=-0.0741) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 46 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.15) USER MOD Single : A 51 GLN : amide:sc= -0.807 K(o=-0.81,f=-0.028) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0.526 (180deg=0.47) USER MOD Single : A 53 GLN : amide:sc= -0.705 K(o=-0.71,f=-0.021) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00921 USER MOD Single : A 72 ASN : amide:sc= -0.683 K(o=-0.68,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.203 USER MOD Single : A 84 THR OG1 : rot 10:sc= 0.595 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.031) USER MOD Single : A 88 THR OG1 : rot 165:sc= 0.0375 USER MOD Single : A 89 THR OG1 : rot -45:sc= 0.634 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 9.175 -13.863 -5.256 1.00 0.15 N ATOM 38 CA ASP A 3 9.048 -12.471 -5.751 1.00 11.21 C ATOM 39 C ASP A 3 8.425 -11.565 -4.665 1.00 12.34 C ATOM 40 O ASP A 3 7.761 -10.590 -4.984 1.00 34.30 O ATOM 41 CB ASP A 3 8.216 -12.449 -7.073 1.00 4.51 C ATOM 42 CG ASP A 3 6.727 -12.787 -6.873 1.00 45.32 C ATOM 43 OD1 ASP A 3 5.862 -11.891 -7.021 1.00 64.23 O ATOM 44 OD2 ASP A 3 6.421 -13.955 -6.552 1.00 31.12 O ATOM 0 HA ASP A 3 10.039 -12.076 -5.973 1.00 11.21 H new ATOM 0 HB2 ASP A 3 8.297 -11.461 -7.527 1.00 4.51 H new ATOM 0 HB3 ASP A 3 8.649 -13.160 -7.777 1.00 4.51 H new ATOM 49 N ILE A 4 8.717 -11.881 -3.382 1.00 62.31 N ATOM 50 CA ILE A 4 8.219 -11.139 -2.189 1.00 22.55 C ATOM 51 C ILE A 4 8.449 -9.608 -2.316 1.00 13.43 C ATOM 52 O ILE A 4 7.558 -8.816 -2.017 1.00 22.50 O ATOM 53 CB ILE A 4 8.920 -11.670 -0.873 1.00 33.13 C ATOM 54 CG1 ILE A 4 8.552 -13.172 -0.586 1.00 74.13 C ATOM 55 CG2 ILE A 4 8.595 -10.771 0.347 1.00 23.41 C ATOM 56 CD1 ILE A 4 7.109 -13.435 -0.167 1.00 51.33 C ATOM 0 H ILE A 4 9.315 -12.671 -3.137 1.00 62.31 H new ATOM 0 HA ILE A 4 7.145 -11.316 -2.130 1.00 22.55 H new ATOM 0 HB ILE A 4 9.996 -11.622 -1.041 1.00 33.13 H new ATOM 0 HG12 ILE A 4 8.762 -13.755 -1.483 1.00 74.13 H new ATOM 0 HG13 ILE A 4 9.211 -13.544 0.198 1.00 74.13 H new ATOM 0 HG21 ILE A 4 9.093 -11.166 1.233 1.00 23.41 H new ATOM 0 HG22 ILE A 4 8.945 -9.757 0.155 1.00 23.41 H new ATOM 0 HG23 ILE A 4 7.518 -10.757 0.512 1.00 23.41 H new ATOM 0 HD11 ILE A 4 6.969 -14.502 0.004 1.00 51.33 H new ATOM 0 HD12 ILE A 4 6.891 -12.888 0.750 1.00 51.33 H new ATOM 0 HD13 ILE A 4 6.435 -13.103 -0.956 1.00 51.33 H new ATOM 68 N VAL A 5 9.656 -9.238 -2.774 1.00 62.03 N ATOM 69 CA VAL A 5 10.072 -7.841 -3.003 1.00 72.44 C ATOM 70 C VAL A 5 9.169 -7.159 -4.054 1.00 22.31 C ATOM 71 O VAL A 5 8.690 -6.036 -3.843 1.00 2.41 O ATOM 72 CB VAL A 5 11.575 -7.809 -3.469 1.00 24.01 C ATOM 73 CG1 VAL A 5 12.061 -6.393 -3.826 1.00 62.43 C ATOM 74 CG2 VAL A 5 12.484 -8.452 -2.400 1.00 30.53 C ATOM 0 H VAL A 5 10.386 -9.914 -3.001 1.00 62.03 H new ATOM 0 HA VAL A 5 9.972 -7.289 -2.068 1.00 72.44 H new ATOM 0 HB VAL A 5 11.636 -8.395 -4.386 1.00 24.01 H new ATOM 0 HG11 VAL A 5 13.104 -6.435 -4.140 1.00 62.43 H new ATOM 0 HG12 VAL A 5 11.453 -5.994 -4.638 1.00 62.43 H new ATOM 0 HG13 VAL A 5 11.970 -5.746 -2.953 1.00 62.43 H new ATOM 0 HG21 VAL A 5 13.520 -8.422 -2.738 1.00 30.53 H new ATOM 0 HG22 VAL A 5 12.391 -7.901 -1.464 1.00 30.53 H new ATOM 0 HG23 VAL A 5 12.184 -9.488 -2.242 1.00 30.53 H new ATOM 84 N GLU A 6 8.933 -7.870 -5.169 1.00 32.13 N ATOM 85 CA GLU A 6 8.091 -7.388 -6.272 1.00 34.33 C ATOM 86 C GLU A 6 6.631 -7.231 -5.808 1.00 12.40 C ATOM 87 O GLU A 6 6.016 -6.201 -6.041 1.00 65.43 O ATOM 88 CB GLU A 6 8.184 -8.363 -7.474 1.00 15.30 C ATOM 89 CG GLU A 6 7.362 -7.959 -8.718 1.00 23.21 C ATOM 90 CD GLU A 6 7.788 -6.605 -9.324 1.00 24.43 C ATOM 91 OE1 GLU A 6 7.073 -5.589 -9.136 1.00 73.43 O ATOM 92 OE2 GLU A 6 8.844 -6.553 -9.995 1.00 43.34 O ATOM 0 H GLU A 6 9.323 -8.799 -5.329 1.00 32.13 H new ATOM 0 HA GLU A 6 8.451 -6.409 -6.589 1.00 34.33 H new ATOM 0 HB2 GLU A 6 9.230 -8.456 -7.765 1.00 15.30 H new ATOM 0 HB3 GLU A 6 7.855 -9.349 -7.147 1.00 15.30 H new ATOM 0 HG2 GLU A 6 7.461 -8.735 -9.477 1.00 23.21 H new ATOM 0 HG3 GLU A 6 6.307 -7.911 -8.447 1.00 23.21 H new ATOM 99 N ALA A 7 6.126 -8.256 -5.107 1.00 2.05 N ATOM 100 CA ALA A 7 4.744 -8.316 -4.608 1.00 11.42 C ATOM 101 C ALA A 7 4.495 -7.263 -3.523 1.00 14.12 C ATOM 102 O ALA A 7 3.383 -6.779 -3.377 1.00 12.25 O ATOM 103 CB ALA A 7 4.451 -9.716 -4.069 1.00 62.12 C ATOM 0 H ALA A 7 6.676 -9.081 -4.867 1.00 2.05 H new ATOM 0 HA ALA A 7 4.071 -8.100 -5.437 1.00 11.42 H new ATOM 0 HB1 ALA A 7 3.426 -9.757 -3.700 1.00 62.12 H new ATOM 0 HB2 ALA A 7 4.579 -10.447 -4.867 1.00 62.12 H new ATOM 0 HB3 ALA A 7 5.139 -9.944 -3.255 1.00 62.12 H new ATOM 109 N ALA A 8 5.550 -6.926 -2.768 1.00 71.55 N ATOM 110 CA ALA A 8 5.497 -5.876 -1.743 1.00 51.53 C ATOM 111 C ALA A 8 5.284 -4.512 -2.400 1.00 25.42 C ATOM 112 O ALA A 8 4.481 -3.705 -1.933 1.00 11.13 O ATOM 113 CB ALA A 8 6.786 -5.874 -0.922 1.00 74.31 C ATOM 0 H ALA A 8 6.463 -7.374 -2.851 1.00 71.55 H new ATOM 0 HA ALA A 8 4.660 -6.078 -1.075 1.00 51.53 H new ATOM 0 HB1 ALA A 8 6.734 -5.091 -0.165 1.00 74.31 H new ATOM 0 HB2 ALA A 8 6.909 -6.841 -0.435 1.00 74.31 H new ATOM 0 HB3 ALA A 8 7.636 -5.688 -1.579 1.00 74.31 H new ATOM 119 N LYS A 9 6.016 -4.285 -3.504 1.00 61.33 N ATOM 120 CA LYS A 9 5.931 -3.054 -4.295 1.00 62.41 C ATOM 121 C LYS A 9 4.544 -2.946 -4.962 1.00 21.34 C ATOM 122 O LYS A 9 3.910 -1.897 -4.896 1.00 24.22 O ATOM 123 CB LYS A 9 7.066 -3.037 -5.351 1.00 61.23 C ATOM 124 CG LYS A 9 7.153 -1.735 -6.180 1.00 40.42 C ATOM 125 CD LYS A 9 8.285 -1.772 -7.234 1.00 10.22 C ATOM 126 CE LYS A 9 8.363 -0.481 -8.063 1.00 64.34 C ATOM 127 NZ LYS A 9 9.424 -0.554 -9.106 1.00 64.03 N ATOM 0 H LYS A 9 6.688 -4.959 -3.872 1.00 61.33 H new ATOM 0 HA LYS A 9 6.055 -2.190 -3.642 1.00 62.41 H new ATOM 0 HB2 LYS A 9 8.018 -3.194 -4.844 1.00 61.23 H new ATOM 0 HB3 LYS A 9 6.924 -3.877 -6.031 1.00 61.23 H new ATOM 0 HG2 LYS A 9 6.201 -1.564 -6.682 1.00 40.42 H new ATOM 0 HG3 LYS A 9 7.315 -0.892 -5.508 1.00 40.42 H new ATOM 0 HD2 LYS A 9 9.239 -1.935 -6.732 1.00 10.22 H new ATOM 0 HD3 LYS A 9 8.127 -2.619 -7.902 1.00 10.22 H new ATOM 0 HE2 LYS A 9 7.399 -0.296 -8.538 1.00 64.34 H new ATOM 0 HE3 LYS A 9 8.561 0.363 -7.402 1.00 64.34 H new ATOM 0 HZ1 LYS A 9 9.444 0.336 -9.643 1.00 64.03 H new ATOM 0 HZ2 LYS A 9 10.347 -0.706 -8.652 1.00 64.03 H new ATOM 0 HZ3 LYS A 9 9.222 -1.344 -9.752 1.00 64.03 H new ATOM 141 N GLN A 10 4.078 -4.073 -5.553 1.00 5.51 N ATOM 142 CA GLN A 10 2.751 -4.185 -6.196 1.00 13.24 C ATOM 143 C GLN A 10 1.639 -3.844 -5.195 1.00 45.14 C ATOM 144 O GLN A 10 0.727 -3.070 -5.506 1.00 52.24 O ATOM 145 CB GLN A 10 2.526 -5.625 -6.756 1.00 52.34 C ATOM 146 CG GLN A 10 3.459 -6.028 -7.916 1.00 41.12 C ATOM 147 CD GLN A 10 3.294 -5.144 -9.143 1.00 62.22 C ATOM 148 OE1 GLN A 10 2.511 -5.441 -10.044 1.00 53.44 O ATOM 149 NE2 GLN A 10 4.009 -4.038 -9.174 1.00 32.01 N ATOM 0 H GLN A 10 4.620 -4.936 -5.596 1.00 5.51 H new ATOM 0 HA GLN A 10 2.719 -3.476 -7.023 1.00 13.24 H new ATOM 0 HB2 GLN A 10 2.654 -6.339 -5.942 1.00 52.34 H new ATOM 0 HB3 GLN A 10 1.493 -5.709 -7.095 1.00 52.34 H new ATOM 0 HG2 GLN A 10 4.494 -5.980 -7.577 1.00 41.12 H new ATOM 0 HG3 GLN A 10 3.261 -7.064 -8.192 1.00 41.12 H new ATOM 0 HE21 GLN A 10 4.649 -3.823 -8.409 1.00 32.01 H new ATOM 0 HE22 GLN A 10 3.923 -3.397 -9.963 1.00 32.01 H new ATOM 158 N ALA A 11 1.778 -4.412 -3.986 1.00 72.22 N ATOM 159 CA ALA A 11 0.832 -4.234 -2.890 1.00 73.24 C ATOM 160 C ALA A 11 0.795 -2.777 -2.428 1.00 72.22 C ATOM 161 O ALA A 11 -0.283 -2.221 -2.250 1.00 45.44 O ATOM 162 CB ALA A 11 1.197 -5.162 -1.725 1.00 74.42 C ATOM 0 H ALA A 11 2.565 -5.015 -3.746 1.00 72.22 H new ATOM 0 HA ALA A 11 -0.164 -4.495 -3.249 1.00 73.24 H new ATOM 0 HB1 ALA A 11 0.485 -5.022 -0.911 1.00 74.42 H new ATOM 0 HB2 ALA A 11 1.164 -6.198 -2.061 1.00 74.42 H new ATOM 0 HB3 ALA A 11 2.201 -4.926 -1.373 1.00 74.42 H new ATOM 168 N ALA A 12 1.990 -2.167 -2.290 1.00 63.11 N ATOM 169 CA ALA A 12 2.145 -0.791 -1.800 1.00 44.53 C ATOM 170 C ALA A 12 1.420 0.216 -2.705 1.00 1.45 C ATOM 171 O ALA A 12 0.591 0.989 -2.223 1.00 55.15 O ATOM 172 CB ALA A 12 3.628 -0.437 -1.669 1.00 64.13 C ATOM 0 H ALA A 12 2.875 -2.621 -2.517 1.00 63.11 H new ATOM 0 HA ALA A 12 1.684 -0.732 -0.814 1.00 44.53 H new ATOM 0 HB1 ALA A 12 3.727 0.586 -1.305 1.00 64.13 H new ATOM 0 HB2 ALA A 12 4.104 -1.120 -0.966 1.00 64.13 H new ATOM 0 HB3 ALA A 12 4.110 -0.524 -2.643 1.00 64.13 H new ATOM 178 N ILE A 13 1.710 0.149 -4.025 1.00 74.22 N ATOM 179 CA ILE A 13 1.114 1.049 -5.038 1.00 62.42 C ATOM 180 C ILE A 13 -0.425 0.869 -5.056 1.00 15.22 C ATOM 181 O ILE A 13 -1.172 1.847 -5.054 1.00 22.20 O ATOM 182 CB ILE A 13 1.688 0.774 -6.488 1.00 33.32 C ATOM 183 CG1 ILE A 13 3.249 0.717 -6.485 1.00 13.10 C ATOM 184 CG2 ILE A 13 1.198 1.848 -7.492 1.00 53.12 C ATOM 185 CD1 ILE A 13 3.880 0.208 -7.778 1.00 61.44 C ATOM 0 H ILE A 13 2.363 -0.530 -4.417 1.00 74.22 H new ATOM 0 HA ILE A 13 1.374 2.071 -4.761 1.00 62.42 H new ATOM 0 HB ILE A 13 1.312 -0.199 -6.804 1.00 33.32 H new ATOM 0 HG12 ILE A 13 3.633 1.716 -6.280 1.00 13.10 H new ATOM 0 HG13 ILE A 13 3.572 0.077 -5.664 1.00 13.10 H new ATOM 0 HG21 ILE A 13 1.607 1.636 -8.480 1.00 53.12 H new ATOM 0 HG22 ILE A 13 0.109 1.833 -7.539 1.00 53.12 H new ATOM 0 HG23 ILE A 13 1.533 2.832 -7.164 1.00 53.12 H new ATOM 0 HD11 ILE A 13 4.965 0.206 -7.677 1.00 61.44 H new ATOM 0 HD12 ILE A 13 3.532 -0.805 -7.978 1.00 61.44 H new ATOM 0 HD13 ILE A 13 3.594 0.860 -8.604 1.00 61.44 H new ATOM 197 N ALA A 14 -0.858 -0.413 -5.017 1.00 21.22 N ATOM 198 CA ALA A 14 -2.280 -0.814 -5.081 1.00 4.43 C ATOM 199 C ALA A 14 -3.087 -0.297 -3.876 1.00 71.01 C ATOM 200 O ALA A 14 -4.258 0.064 -4.025 1.00 52.45 O ATOM 201 CB ALA A 14 -2.388 -2.336 -5.163 1.00 35.54 C ATOM 0 H ALA A 14 -0.221 -1.206 -4.939 1.00 21.22 H new ATOM 0 HA ALA A 14 -2.706 -0.362 -5.977 1.00 4.43 H new ATOM 0 HB1 ALA A 14 -3.438 -2.624 -5.210 1.00 35.54 H new ATOM 0 HB2 ALA A 14 -1.874 -2.690 -6.057 1.00 35.54 H new ATOM 0 HB3 ALA A 14 -1.929 -2.781 -4.281 1.00 35.54 H new ATOM 207 N ILE A 15 -2.439 -0.283 -2.694 1.00 74.20 N ATOM 208 CA ILE A 15 -3.025 0.240 -1.447 1.00 14.43 C ATOM 209 C ILE A 15 -3.352 1.741 -1.600 1.00 10.31 C ATOM 210 O ILE A 15 -4.440 2.168 -1.229 1.00 11.52 O ATOM 211 CB ILE A 15 -2.067 -0.043 -0.208 1.00 62.42 C ATOM 212 CG1 ILE A 15 -2.125 -1.563 0.174 1.00 51.31 C ATOM 213 CG2 ILE A 15 -2.379 0.850 1.022 1.00 43.25 C ATOM 214 CD1 ILE A 15 -1.168 -2.002 1.272 1.00 54.11 C ATOM 0 H ILE A 15 -1.489 -0.637 -2.579 1.00 74.20 H new ATOM 0 HA ILE A 15 -3.961 -0.282 -1.249 1.00 14.43 H new ATOM 0 HB ILE A 15 -1.055 0.217 -0.519 1.00 62.42 H new ATOM 0 HG12 ILE A 15 -3.142 -1.802 0.486 1.00 51.31 H new ATOM 0 HG13 ILE A 15 -1.919 -2.152 -0.720 1.00 51.31 H new ATOM 0 HG21 ILE A 15 -1.691 0.607 1.832 1.00 43.25 H new ATOM 0 HG22 ILE A 15 -2.263 1.899 0.749 1.00 43.25 H new ATOM 0 HG23 ILE A 15 -3.403 0.672 1.350 1.00 43.25 H new ATOM 0 HD11 ILE A 15 -1.291 -3.069 1.457 1.00 54.11 H new ATOM 0 HD12 ILE A 15 -0.142 -1.803 0.961 1.00 54.11 H new ATOM 0 HD13 ILE A 15 -1.384 -1.448 2.186 1.00 54.11 H new ATOM 226 N PHE A 16 -2.426 2.514 -2.202 1.00 51.45 N ATOM 227 CA PHE A 16 -2.627 3.964 -2.434 1.00 24.54 C ATOM 228 C PHE A 16 -3.628 4.234 -3.569 1.00 31.05 C ATOM 229 O PHE A 16 -4.345 5.236 -3.519 1.00 20.23 O ATOM 230 CB PHE A 16 -1.285 4.680 -2.706 1.00 11.41 C ATOM 231 CG PHE A 16 -0.368 4.680 -1.497 1.00 22.10 C ATOM 232 CD1 PHE A 16 -0.657 5.469 -0.378 1.00 62.21 C ATOM 233 CD2 PHE A 16 0.767 3.888 -1.466 1.00 1.15 C ATOM 234 CE1 PHE A 16 0.171 5.455 0.725 1.00 3.23 C ATOM 235 CE2 PHE A 16 1.586 3.874 -0.371 1.00 42.22 C ATOM 236 CZ PHE A 16 1.294 4.654 0.725 1.00 42.13 C ATOM 0 H PHE A 16 -1.530 2.161 -2.538 1.00 51.45 H new ATOM 0 HA PHE A 16 -3.053 4.374 -1.518 1.00 24.54 H new ATOM 0 HB2 PHE A 16 -0.780 4.193 -3.540 1.00 11.41 H new ATOM 0 HB3 PHE A 16 -1.481 5.709 -3.009 1.00 11.41 H new ATOM 0 HD1 PHE A 16 -1.537 6.095 -0.378 1.00 62.21 H new ATOM 0 HD2 PHE A 16 1.009 3.272 -2.319 1.00 1.15 H new ATOM 0 HE1 PHE A 16 -0.059 6.068 1.584 1.00 3.23 H new ATOM 0 HE2 PHE A 16 2.466 3.248 -0.366 1.00 42.22 H new ATOM 0 HZ PHE A 16 1.945 4.639 1.586 1.00 42.13 H new ATOM 246 N GLN A 17 -3.670 3.331 -4.577 1.00 64.03 N ATOM 247 CA GLN A 17 -4.661 3.399 -5.678 1.00 23.22 C ATOM 248 C GLN A 17 -6.078 3.311 -5.111 1.00 52.12 C ATOM 249 O GLN A 17 -6.971 4.043 -5.541 1.00 3.25 O ATOM 250 CB GLN A 17 -4.459 2.260 -6.706 1.00 51.22 C ATOM 251 CG GLN A 17 -3.180 2.362 -7.552 1.00 70.11 C ATOM 252 CD GLN A 17 -3.081 1.242 -8.589 1.00 41.30 C ATOM 253 OE1 GLN A 17 -4.092 0.752 -9.086 1.00 55.53 O ATOM 254 NE2 GLN A 17 -1.878 0.847 -8.941 1.00 63.54 N ATOM 0 H GLN A 17 -3.026 2.543 -4.651 1.00 64.03 H new ATOM 0 HA GLN A 17 -4.516 4.352 -6.188 1.00 23.22 H new ATOM 0 HB2 GLN A 17 -4.448 1.309 -6.173 1.00 51.22 H new ATOM 0 HB3 GLN A 17 -5.318 2.240 -7.376 1.00 51.22 H new ATOM 0 HG2 GLN A 17 -3.158 3.327 -8.059 1.00 70.11 H new ATOM 0 HG3 GLN A 17 -2.310 2.326 -6.897 1.00 70.11 H new ATOM 0 HE21 GLN A 17 -1.056 1.272 -8.512 1.00 63.54 H new ATOM 0 HE22 GLN A 17 -1.766 0.116 -9.643 1.00 63.54 H new ATOM 263 N LEU A 18 -6.254 2.390 -4.142 1.00 73.11 N ATOM 264 CA LEU A 18 -7.510 2.238 -3.410 1.00 70.13 C ATOM 265 C LEU A 18 -7.762 3.464 -2.525 1.00 62.44 C ATOM 266 O LEU A 18 -8.837 4.041 -2.580 1.00 71.22 O ATOM 267 CB LEU A 18 -7.514 0.936 -2.559 1.00 45.01 C ATOM 268 CG LEU A 18 -7.507 -0.403 -3.359 1.00 35.44 C ATOM 269 CD1 LEU A 18 -7.504 -1.614 -2.409 1.00 3.22 C ATOM 270 CD2 LEU A 18 -8.685 -0.476 -4.357 1.00 21.35 C ATOM 0 H LEU A 18 -5.527 1.736 -3.852 1.00 73.11 H new ATOM 0 HA LEU A 18 -8.318 2.160 -4.138 1.00 70.13 H new ATOM 0 HB2 LEU A 18 -6.642 0.950 -1.905 1.00 45.01 H new ATOM 0 HB3 LEU A 18 -8.395 0.948 -1.917 1.00 45.01 H new ATOM 0 HG LEU A 18 -6.587 -0.432 -3.942 1.00 35.44 H new ATOM 0 HD11 LEU A 18 -7.499 -2.534 -2.993 1.00 3.22 H new ATOM 0 HD12 LEU A 18 -6.616 -1.580 -1.778 1.00 3.22 H new ATOM 0 HD13 LEU A 18 -8.395 -1.587 -1.782 1.00 3.22 H new ATOM 0 HD21 LEU A 18 -8.647 -1.423 -4.896 1.00 21.35 H new ATOM 0 HD22 LEU A 18 -9.627 -0.405 -3.814 1.00 21.35 H new ATOM 0 HD23 LEU A 18 -8.613 0.348 -5.066 1.00 21.35 H new ATOM 282 N TRP A 19 -6.738 3.882 -1.756 1.00 21.32 N ATOM 283 CA TRP A 19 -6.845 4.982 -0.760 1.00 32.01 C ATOM 284 C TRP A 19 -7.398 6.302 -1.365 1.00 54.04 C ATOM 285 O TRP A 19 -8.044 7.081 -0.662 1.00 13.44 O ATOM 286 CB TRP A 19 -5.483 5.197 -0.037 1.00 5.34 C ATOM 287 CG TRP A 19 -5.206 4.262 1.123 1.00 21.44 C ATOM 288 CD1 TRP A 19 -5.822 3.074 1.416 1.00 43.12 C ATOM 289 CD2 TRP A 19 -4.233 4.471 2.157 1.00 63.34 C ATOM 290 NE1 TRP A 19 -5.279 2.531 2.555 1.00 63.01 N ATOM 291 CE2 TRP A 19 -4.302 3.370 3.026 1.00 53.01 C ATOM 292 CE3 TRP A 19 -3.304 5.485 2.419 1.00 61.51 C ATOM 293 CZ2 TRP A 19 -3.485 3.258 4.147 1.00 44.31 C ATOM 294 CZ3 TRP A 19 -2.495 5.373 3.532 1.00 63.24 C ATOM 295 CH2 TRP A 19 -2.587 4.264 4.382 1.00 70.01 C ATOM 0 H TRP A 19 -5.807 3.469 -1.803 1.00 21.32 H new ATOM 0 HA TRP A 19 -7.582 4.672 -0.019 1.00 32.01 H new ATOM 0 HB2 TRP A 19 -4.682 5.088 -0.768 1.00 5.34 H new ATOM 0 HB3 TRP A 19 -5.443 6.223 0.329 1.00 5.34 H new ATOM 0 HD1 TRP A 19 -6.618 2.630 0.837 1.00 43.12 H new ATOM 0 HE1 TRP A 19 -5.557 1.647 2.981 1.00 63.01 H new ATOM 0 HE3 TRP A 19 -3.222 6.339 1.763 1.00 61.51 H new ATOM 0 HZ2 TRP A 19 -3.557 2.407 4.808 1.00 44.31 H new ATOM 0 HZ3 TRP A 19 -1.780 6.153 3.750 1.00 63.24 H new ATOM 0 HH2 TRP A 19 -1.936 4.201 5.241 1.00 70.01 H new ATOM 306 N LYS A 20 -7.144 6.530 -2.666 1.00 11.52 N ATOM 307 CA LYS A 20 -7.706 7.682 -3.410 1.00 73.41 C ATOM 308 C LYS A 20 -8.910 7.268 -4.307 1.00 31.41 C ATOM 309 O LYS A 20 -9.749 8.114 -4.638 1.00 25.43 O ATOM 310 CB LYS A 20 -6.585 8.371 -4.233 1.00 42.11 C ATOM 311 CG LYS A 20 -5.859 7.439 -5.229 1.00 51.53 C ATOM 312 CD LYS A 20 -4.584 8.072 -5.844 1.00 72.03 C ATOM 313 CE LYS A 20 -4.882 9.333 -6.668 1.00 73.12 C ATOM 314 NZ LYS A 20 -3.647 9.937 -7.235 1.00 13.14 N ATOM 0 H LYS A 20 -6.547 5.927 -3.233 1.00 11.52 H new ATOM 0 HA LYS A 20 -8.098 8.398 -2.688 1.00 73.41 H new ATOM 0 HB2 LYS A 20 -7.017 9.206 -4.785 1.00 42.11 H new ATOM 0 HB3 LYS A 20 -5.851 8.790 -3.545 1.00 42.11 H new ATOM 0 HG2 LYS A 20 -5.588 6.515 -4.719 1.00 51.53 H new ATOM 0 HG3 LYS A 20 -6.546 7.170 -6.031 1.00 51.53 H new ATOM 0 HD2 LYS A 20 -3.887 8.323 -5.044 1.00 72.03 H new ATOM 0 HD3 LYS A 20 -4.090 7.337 -6.479 1.00 72.03 H new ATOM 0 HE2 LYS A 20 -5.567 9.082 -7.478 1.00 73.12 H new ATOM 0 HE3 LYS A 20 -5.387 10.066 -6.039 1.00 73.12 H new ATOM 0 HZ1 LYS A 20 -3.897 10.775 -7.797 1.00 13.14 H new ATOM 0 HZ2 LYS A 20 -3.010 10.216 -6.461 1.00 13.14 H new ATOM 0 HZ3 LYS A 20 -3.169 9.242 -7.843 1.00 13.14 H new ATOM 328 N ASN A 21 -8.993 5.969 -4.682 1.00 52.32 N ATOM 329 CA ASN A 21 -10.070 5.437 -5.562 1.00 1.22 C ATOM 330 C ASN A 21 -10.355 3.944 -5.213 1.00 11.10 C ATOM 331 O ASN A 21 -9.790 3.032 -5.837 1.00 12.03 O ATOM 332 CB ASN A 21 -9.666 5.609 -7.060 1.00 13.44 C ATOM 333 CG ASN A 21 -10.773 5.196 -8.039 1.00 21.12 C ATOM 334 OD1 ASN A 21 -11.578 6.022 -8.472 1.00 61.21 O ATOM 335 ND2 ASN A 21 -10.829 3.917 -8.390 1.00 72.40 N ATOM 0 H ASN A 21 -8.321 5.261 -4.387 1.00 52.32 H new ATOM 0 HA ASN A 21 -10.988 6.000 -5.396 1.00 1.22 H new ATOM 0 HB2 ASN A 21 -9.401 6.651 -7.240 1.00 13.44 H new ATOM 0 HB3 ASN A 21 -8.774 5.015 -7.259 1.00 13.44 H new ATOM 0 HD21 ASN A 21 -11.552 3.596 -9.034 1.00 72.40 H new ATOM 0 HD22 ASN A 21 -10.149 3.255 -8.016 1.00 72.40 H new ATOM 342 N PRO A 22 -11.202 3.670 -4.158 1.00 73.41 N ATOM 343 CA PRO A 22 -11.471 2.286 -3.659 1.00 31.01 C ATOM 344 C PRO A 22 -12.335 1.424 -4.596 1.00 12.44 C ATOM 345 O PRO A 22 -12.501 0.219 -4.354 1.00 52.21 O ATOM 346 CB PRO A 22 -12.179 2.522 -2.302 1.00 53.43 C ATOM 347 CG PRO A 22 -12.796 3.888 -2.399 1.00 2.42 C ATOM 348 CD PRO A 22 -11.914 4.697 -3.336 1.00 72.13 C ATOM 0 HA PRO A 22 -10.545 1.715 -3.586 1.00 31.01 H new ATOM 0 HB2 PRO A 22 -12.938 1.761 -2.119 1.00 53.43 H new ATOM 0 HB3 PRO A 22 -11.470 2.470 -1.476 1.00 53.43 H new ATOM 0 HG2 PRO A 22 -13.815 3.827 -2.782 1.00 2.42 H new ATOM 0 HG3 PRO A 22 -12.852 4.358 -1.417 1.00 2.42 H new ATOM 0 HD2 PRO A 22 -12.506 5.365 -3.961 1.00 72.13 H new ATOM 0 HD3 PRO A 22 -11.211 5.319 -2.782 1.00 72.13 H new ATOM 356 N THR A 23 -12.878 2.040 -5.657 1.00 64.10 N ATOM 357 CA THR A 23 -13.728 1.350 -6.640 1.00 70.13 C ATOM 358 C THR A 23 -12.900 0.532 -7.651 1.00 10.10 C ATOM 359 O THR A 23 -13.467 -0.260 -8.413 1.00 61.11 O ATOM 360 CB THR A 23 -14.620 2.386 -7.399 1.00 51.21 C ATOM 361 OG1 THR A 23 -13.786 3.411 -7.963 1.00 32.35 O ATOM 362 CG2 THR A 23 -15.678 3.027 -6.473 1.00 74.25 C ATOM 0 H THR A 23 -12.740 3.030 -5.858 1.00 64.10 H new ATOM 0 HA THR A 23 -14.360 0.652 -6.091 1.00 70.13 H new ATOM 0 HB THR A 23 -15.152 1.855 -8.188 1.00 51.21 H new ATOM 0 HG1 THR A 23 -14.343 4.060 -8.441 1.00 32.35 H new ATOM 0 HG21 THR A 23 -16.275 3.740 -7.042 1.00 74.25 H new ATOM 0 HG22 THR A 23 -16.327 2.250 -6.070 1.00 74.25 H new ATOM 0 HG23 THR A 23 -15.179 3.544 -5.653 1.00 74.25 H new ATOM 370 N ASP A 24 -11.562 0.718 -7.644 1.00 71.21 N ATOM 371 CA ASP A 24 -10.659 0.041 -8.593 1.00 72.12 C ATOM 372 C ASP A 24 -10.581 -1.479 -8.272 1.00 4.54 C ATOM 373 O ASP A 24 -10.128 -1.847 -7.178 1.00 10.12 O ATOM 374 CB ASP A 24 -9.238 0.675 -8.553 1.00 74.41 C ATOM 375 CG ASP A 24 -8.344 0.189 -9.710 1.00 1.41 C ATOM 376 OD1 ASP A 24 -7.868 -0.966 -9.670 1.00 52.35 O ATOM 377 OD2 ASP A 24 -8.142 0.946 -10.687 1.00 63.44 O ATOM 0 H ASP A 24 -11.084 1.335 -6.987 1.00 71.21 H new ATOM 0 HA ASP A 24 -11.061 0.168 -9.598 1.00 72.12 H new ATOM 0 HB2 ASP A 24 -9.326 1.761 -8.597 1.00 74.41 H new ATOM 0 HB3 ASP A 24 -8.762 0.432 -7.603 1.00 74.41 H new ATOM 382 N PRO A 25 -11.027 -2.376 -9.216 1.00 3.24 N ATOM 383 CA PRO A 25 -11.041 -3.841 -8.985 1.00 32.02 C ATOM 384 C PRO A 25 -9.630 -4.477 -8.979 1.00 73.13 C ATOM 385 O PRO A 25 -9.338 -5.306 -8.117 1.00 50.41 O ATOM 386 CB PRO A 25 -11.906 -4.375 -10.157 1.00 22.00 C ATOM 387 CG PRO A 25 -11.726 -3.371 -11.256 1.00 15.23 C ATOM 388 CD PRO A 25 -11.574 -2.031 -10.563 1.00 14.33 C ATOM 0 HA PRO A 25 -11.435 -4.093 -8.001 1.00 32.02 H new ATOM 0 HB2 PRO A 25 -11.579 -5.367 -10.470 1.00 22.00 H new ATOM 0 HB3 PRO A 25 -12.953 -4.461 -9.868 1.00 22.00 H new ATOM 0 HG2 PRO A 25 -10.848 -3.603 -11.859 1.00 15.23 H new ATOM 0 HG3 PRO A 25 -12.583 -3.369 -11.929 1.00 15.23 H new ATOM 0 HD2 PRO A 25 -10.899 -1.374 -11.111 1.00 14.33 H new ATOM 0 HD3 PRO A 25 -12.530 -1.513 -10.484 1.00 14.33 H new ATOM 396 N GLU A 26 -8.761 -4.049 -9.921 1.00 51.10 N ATOM 397 CA GLU A 26 -7.455 -4.705 -10.181 1.00 71.31 C ATOM 398 C GLU A 26 -6.463 -4.511 -9.017 1.00 22.24 C ATOM 399 O GLU A 26 -5.661 -5.407 -8.727 1.00 14.31 O ATOM 400 CB GLU A 26 -6.835 -4.180 -11.503 1.00 61.30 C ATOM 401 CG GLU A 26 -7.704 -4.406 -12.754 1.00 15.35 C ATOM 402 CD GLU A 26 -7.016 -3.934 -14.049 1.00 35.03 C ATOM 403 OE1 GLU A 26 -7.229 -2.776 -14.467 1.00 53.51 O ATOM 404 OE2 GLU A 26 -6.236 -4.714 -14.639 1.00 0.33 O ATOM 0 H GLU A 26 -8.941 -3.244 -10.521 1.00 51.10 H new ATOM 0 HA GLU A 26 -7.648 -5.774 -10.273 1.00 71.31 H new ATOM 0 HB2 GLU A 26 -6.642 -3.112 -11.399 1.00 61.30 H new ATOM 0 HB3 GLU A 26 -5.871 -4.665 -11.654 1.00 61.30 H new ATOM 0 HG2 GLU A 26 -7.942 -5.466 -12.839 1.00 15.35 H new ATOM 0 HG3 GLU A 26 -8.649 -3.876 -12.636 1.00 15.35 H new ATOM 411 N ALA A 27 -6.544 -3.346 -8.350 1.00 3.45 N ATOM 412 CA ALA A 27 -5.656 -2.987 -7.231 1.00 62.24 C ATOM 413 C ALA A 27 -5.877 -3.933 -6.037 1.00 43.34 C ATOM 414 O ALA A 27 -4.926 -4.484 -5.475 1.00 44.32 O ATOM 415 CB ALA A 27 -5.886 -1.522 -6.827 1.00 40.35 C ATOM 0 H ALA A 27 -7.230 -2.625 -8.573 1.00 3.45 H new ATOM 0 HA ALA A 27 -4.621 -3.097 -7.553 1.00 62.24 H new ATOM 0 HB1 ALA A 27 -5.225 -1.265 -5.999 1.00 40.35 H new ATOM 0 HB2 ALA A 27 -5.673 -0.873 -7.676 1.00 40.35 H new ATOM 0 HB3 ALA A 27 -6.923 -1.388 -6.519 1.00 40.35 H new ATOM 421 N GLN A 28 -7.152 -4.133 -5.679 1.00 73.21 N ATOM 422 CA GLN A 28 -7.550 -5.033 -4.577 1.00 43.41 C ATOM 423 C GLN A 28 -7.533 -6.516 -5.012 1.00 13.10 C ATOM 424 O GLN A 28 -7.438 -7.411 -4.166 1.00 52.42 O ATOM 425 CB GLN A 28 -8.939 -4.612 -4.035 1.00 52.22 C ATOM 426 CG GLN A 28 -10.055 -4.576 -5.090 1.00 70.12 C ATOM 427 CD GLN A 28 -11.331 -3.926 -4.578 1.00 54.01 C ATOM 428 OE1 GLN A 28 -12.217 -4.594 -4.065 1.00 71.42 O ATOM 429 NE2 GLN A 28 -11.422 -2.609 -4.689 1.00 72.13 N ATOM 0 H GLN A 28 -7.939 -3.678 -6.141 1.00 73.21 H new ATOM 0 HA GLN A 28 -6.819 -4.940 -3.774 1.00 43.41 H new ATOM 0 HB2 GLN A 28 -9.229 -5.302 -3.242 1.00 52.22 H new ATOM 0 HB3 GLN A 28 -8.853 -3.624 -3.582 1.00 52.22 H new ATOM 0 HG2 GLN A 28 -9.702 -4.032 -5.966 1.00 70.12 H new ATOM 0 HG3 GLN A 28 -10.276 -5.593 -5.413 1.00 70.12 H new ATOM 0 HE21 GLN A 28 -10.665 -2.080 -5.122 1.00 72.13 H new ATOM 0 HE22 GLN A 28 -12.249 -2.124 -4.341 1.00 72.13 H new ATOM 438 N GLU A 29 -7.604 -6.757 -6.334 1.00 71.13 N ATOM 439 CA GLU A 29 -7.534 -8.111 -6.924 1.00 72.45 C ATOM 440 C GLU A 29 -6.145 -8.726 -6.700 1.00 13.31 C ATOM 441 O GLU A 29 -6.039 -9.882 -6.272 1.00 61.05 O ATOM 442 CB GLU A 29 -7.858 -8.053 -8.439 1.00 22.40 C ATOM 443 CG GLU A 29 -7.870 -9.413 -9.163 1.00 3.21 C ATOM 444 CD GLU A 29 -8.082 -9.276 -10.677 1.00 24.54 C ATOM 445 OE1 GLU A 29 -7.127 -8.891 -11.386 1.00 20.21 O ATOM 446 OE2 GLU A 29 -9.188 -9.577 -11.176 1.00 30.50 O ATOM 0 H GLU A 29 -7.712 -6.017 -7.027 1.00 71.13 H new ATOM 0 HA GLU A 29 -8.274 -8.742 -6.431 1.00 72.45 H new ATOM 0 HB2 GLU A 29 -8.833 -7.583 -8.567 1.00 22.40 H new ATOM 0 HB3 GLU A 29 -7.127 -7.408 -8.926 1.00 22.40 H new ATOM 0 HG2 GLU A 29 -6.927 -9.927 -8.977 1.00 3.21 H new ATOM 0 HG3 GLU A 29 -8.660 -10.036 -8.744 1.00 3.21 H new ATOM 453 N LEU A 30 -5.086 -7.933 -6.976 1.00 22.32 N ATOM 454 CA LEU A 30 -3.694 -8.390 -6.801 1.00 14.23 C ATOM 455 C LEU A 30 -3.360 -8.529 -5.302 1.00 52.23 C ATOM 456 O LEU A 30 -2.596 -9.417 -4.928 1.00 42.23 O ATOM 457 CB LEU A 30 -2.682 -7.475 -7.583 1.00 10.44 C ATOM 458 CG LEU A 30 -2.513 -5.966 -7.148 1.00 55.42 C ATOM 459 CD1 LEU A 30 -1.427 -5.781 -6.065 1.00 61.53 C ATOM 460 CD2 LEU A 30 -2.215 -5.046 -8.358 1.00 43.42 C ATOM 0 H LEU A 30 -5.171 -6.976 -7.320 1.00 22.32 H new ATOM 0 HA LEU A 30 -3.591 -9.382 -7.242 1.00 14.23 H new ATOM 0 HB2 LEU A 30 -1.701 -7.946 -7.523 1.00 10.44 H new ATOM 0 HB3 LEU A 30 -2.976 -7.483 -8.633 1.00 10.44 H new ATOM 0 HG LEU A 30 -3.470 -5.673 -6.716 1.00 55.42 H new ATOM 0 HD11 LEU A 30 -1.351 -4.726 -5.802 1.00 61.53 H new ATOM 0 HD12 LEU A 30 -1.694 -6.357 -5.179 1.00 61.53 H new ATOM 0 HD13 LEU A 30 -0.468 -6.129 -6.448 1.00 61.53 H new ATOM 0 HD21 LEU A 30 -2.106 -4.017 -8.015 1.00 43.42 H new ATOM 0 HD22 LEU A 30 -1.292 -5.367 -8.841 1.00 43.42 H new ATOM 0 HD23 LEU A 30 -3.037 -5.105 -9.071 1.00 43.42 H new ATOM 472 N LEU A 31 -3.987 -7.671 -4.458 1.00 21.22 N ATOM 473 CA LEU A 31 -3.876 -7.743 -2.978 1.00 11.42 C ATOM 474 C LEU A 31 -4.459 -9.062 -2.415 1.00 34.31 C ATOM 475 O LEU A 31 -4.033 -9.522 -1.368 1.00 34.15 O ATOM 476 CB LEU A 31 -4.586 -6.528 -2.302 1.00 14.22 C ATOM 477 CG LEU A 31 -3.882 -5.142 -2.448 1.00 75.35 C ATOM 478 CD1 LEU A 31 -4.729 -4.007 -1.833 1.00 51.51 C ATOM 479 CD2 LEU A 31 -2.479 -5.173 -1.821 1.00 3.43 C ATOM 0 H LEU A 31 -4.583 -6.910 -4.784 1.00 21.22 H new ATOM 0 HA LEU A 31 -2.812 -7.713 -2.744 1.00 11.42 H new ATOM 0 HB2 LEU A 31 -5.591 -6.446 -2.716 1.00 14.22 H new ATOM 0 HB3 LEU A 31 -4.696 -6.745 -1.239 1.00 14.22 H new ATOM 0 HG LEU A 31 -3.779 -4.937 -3.514 1.00 75.35 H new ATOM 0 HD11 LEU A 31 -4.207 -3.058 -1.953 1.00 51.51 H new ATOM 0 HD12 LEU A 31 -5.693 -3.958 -2.339 1.00 51.51 H new ATOM 0 HD13 LEU A 31 -4.885 -4.203 -0.772 1.00 51.51 H new ATOM 0 HD21 LEU A 31 -2.008 -4.197 -1.935 1.00 3.43 H new ATOM 0 HD22 LEU A 31 -2.559 -5.416 -0.761 1.00 3.43 H new ATOM 0 HD23 LEU A 31 -1.873 -5.929 -2.322 1.00 3.43 H new ATOM 491 N ASN A 32 -5.451 -9.639 -3.112 1.00 74.43 N ATOM 492 CA ASN A 32 -6.047 -10.946 -2.737 1.00 51.21 C ATOM 493 C ASN A 32 -5.036 -12.086 -2.991 1.00 23.32 C ATOM 494 O ASN A 32 -4.975 -13.065 -2.240 1.00 41.22 O ATOM 495 CB ASN A 32 -7.354 -11.173 -3.557 1.00 74.45 C ATOM 496 CG ASN A 32 -8.260 -12.322 -3.060 1.00 32.34 C ATOM 497 OD1 ASN A 32 -7.806 -13.341 -2.536 1.00 22.51 O ATOM 498 ND2 ASN A 32 -9.569 -12.158 -3.228 1.00 11.01 N ATOM 0 H ASN A 32 -5.865 -9.222 -3.946 1.00 74.43 H new ATOM 0 HA ASN A 32 -6.292 -10.942 -1.675 1.00 51.21 H new ATOM 0 HB2 ASN A 32 -7.932 -10.249 -3.550 1.00 74.45 H new ATOM 0 HB3 ASN A 32 -7.082 -11.371 -4.594 1.00 74.45 H new ATOM 0 HD21 ASN A 32 -10.217 -12.883 -2.921 1.00 11.01 H new ATOM 0 HD22 ASN A 32 -9.925 -11.307 -3.664 1.00 11.01 H new ATOM 505 N LYS A 33 -4.224 -11.913 -4.045 1.00 32.21 N ATOM 506 CA LYS A 33 -3.319 -12.953 -4.563 1.00 43.15 C ATOM 507 C LYS A 33 -1.977 -12.989 -3.795 1.00 23.43 C ATOM 508 O LYS A 33 -1.386 -14.058 -3.624 1.00 22.44 O ATOM 509 CB LYS A 33 -3.068 -12.704 -6.079 1.00 41.00 C ATOM 510 CG LYS A 33 -4.364 -12.627 -6.928 1.00 0.03 C ATOM 511 CD LYS A 33 -4.103 -12.435 -8.436 1.00 4.51 C ATOM 512 CE LYS A 33 -3.362 -13.625 -9.074 1.00 52.32 C ATOM 513 NZ LYS A 33 -4.102 -14.914 -8.927 1.00 40.41 N ATOM 0 H LYS A 33 -4.176 -11.038 -4.568 1.00 32.21 H new ATOM 0 HA LYS A 33 -3.796 -13.923 -4.419 1.00 43.15 H new ATOM 0 HB2 LYS A 33 -2.513 -11.774 -6.197 1.00 41.00 H new ATOM 0 HB3 LYS A 33 -2.437 -13.503 -6.469 1.00 41.00 H new ATOM 0 HG2 LYS A 33 -4.940 -13.541 -6.781 1.00 0.03 H new ATOM 0 HG3 LYS A 33 -4.977 -11.802 -6.566 1.00 0.03 H new ATOM 0 HD2 LYS A 33 -5.054 -12.289 -8.948 1.00 4.51 H new ATOM 0 HD3 LYS A 33 -3.518 -11.527 -8.585 1.00 4.51 H new ATOM 0 HE2 LYS A 33 -3.202 -13.422 -10.133 1.00 52.32 H new ATOM 0 HE3 LYS A 33 -2.378 -13.722 -8.616 1.00 52.32 H new ATOM 0 HZ1 LYS A 33 -3.629 -15.652 -9.487 1.00 40.41 H new ATOM 0 HZ2 LYS A 33 -4.115 -15.195 -7.926 1.00 40.41 H new ATOM 0 HZ3 LYS A 33 -5.078 -14.794 -9.265 1.00 40.41 H new ATOM 527 N ILE A 34 -1.499 -11.809 -3.346 1.00 31.13 N ATOM 528 CA ILE A 34 -0.135 -11.656 -2.758 1.00 73.41 C ATOM 529 C ILE A 34 -0.201 -11.411 -1.236 1.00 4.22 C ATOM 530 O ILE A 34 0.693 -11.822 -0.495 1.00 60.22 O ATOM 531 CB ILE A 34 0.651 -10.493 -3.483 1.00 55.33 C ATOM 532 CG1 ILE A 34 -0.015 -9.100 -3.223 1.00 51.21 C ATOM 533 CG2 ILE A 34 0.755 -10.777 -5.001 1.00 55.04 C ATOM 534 CD1 ILE A 34 0.534 -7.947 -4.045 1.00 64.31 C ATOM 0 H ILE A 34 -2.034 -10.941 -3.376 1.00 31.13 H new ATOM 0 HA ILE A 34 0.405 -12.589 -2.915 1.00 73.41 H new ATOM 0 HB ILE A 34 1.657 -10.458 -3.065 1.00 55.33 H new ATOM 0 HG12 ILE A 34 -1.084 -9.186 -3.419 1.00 51.21 H new ATOM 0 HG13 ILE A 34 0.097 -8.855 -2.167 1.00 51.21 H new ATOM 0 HG21 ILE A 34 1.299 -9.967 -5.486 1.00 55.04 H new ATOM 0 HG22 ILE A 34 1.285 -11.716 -5.160 1.00 55.04 H new ATOM 0 HG23 ILE A 34 -0.246 -10.848 -5.427 1.00 55.04 H new ATOM 0 HD11 ILE A 34 0.003 -7.031 -3.787 1.00 64.31 H new ATOM 0 HD12 ILE A 34 1.596 -7.823 -3.834 1.00 64.31 H new ATOM 0 HD13 ILE A 34 0.397 -8.159 -5.105 1.00 64.31 H new ATOM 546 N LEU A 35 -1.257 -10.706 -0.803 1.00 33.51 N ATOM 547 CA LEU A 35 -1.597 -10.498 0.622 1.00 64.12 C ATOM 548 C LEU A 35 -2.800 -11.382 0.973 1.00 50.15 C ATOM 549 O LEU A 35 -3.262 -12.175 0.141 1.00 72.34 O ATOM 550 CB LEU A 35 -1.902 -8.977 0.894 1.00 71.14 C ATOM 551 CG LEU A 35 -0.725 -8.105 1.439 1.00 31.22 C ATOM 552 CD1 LEU A 35 -0.361 -8.506 2.887 1.00 42.05 C ATOM 553 CD2 LEU A 35 0.513 -8.158 0.514 1.00 74.31 C ATOM 0 H LEU A 35 -1.913 -10.255 -1.440 1.00 33.51 H new ATOM 0 HA LEU A 35 -0.754 -10.778 1.254 1.00 64.12 H new ATOM 0 HB2 LEU A 35 -2.253 -8.530 -0.036 1.00 71.14 H new ATOM 0 HB3 LEU A 35 -2.725 -8.918 1.606 1.00 71.14 H new ATOM 0 HG LEU A 35 -1.069 -7.071 1.451 1.00 31.22 H new ATOM 0 HD11 LEU A 35 0.461 -7.884 3.241 1.00 42.05 H new ATOM 0 HD12 LEU A 35 -1.228 -8.365 3.533 1.00 42.05 H new ATOM 0 HD13 LEU A 35 -0.059 -9.553 2.910 1.00 42.05 H new ATOM 0 HD21 LEU A 35 1.306 -7.538 0.932 1.00 74.31 H new ATOM 0 HD22 LEU A 35 0.862 -9.187 0.432 1.00 74.31 H new ATOM 0 HD23 LEU A 35 0.244 -7.786 -0.475 1.00 74.31 H new ATOM 565 N SER A 36 -3.280 -11.271 2.220 1.00 30.42 N ATOM 566 CA SER A 36 -4.519 -11.933 2.644 1.00 21.11 C ATOM 567 C SER A 36 -5.734 -11.292 1.914 1.00 1.51 C ATOM 568 O SER A 36 -5.725 -10.079 1.656 1.00 32.01 O ATOM 569 CB SER A 36 -4.689 -11.812 4.179 1.00 32.45 C ATOM 570 OG SER A 36 -3.487 -12.104 4.872 1.00 65.02 O ATOM 0 H SER A 36 -2.826 -10.727 2.954 1.00 30.42 H new ATOM 0 HA SER A 36 -4.467 -12.990 2.383 1.00 21.11 H new ATOM 0 HB2 SER A 36 -5.015 -10.802 4.429 1.00 32.45 H new ATOM 0 HB3 SER A 36 -5.473 -12.492 4.511 1.00 32.45 H new ATOM 0 HG SER A 36 -3.636 -12.015 5.837 1.00 65.02 H new ATOM 576 N PRO A 37 -6.795 -12.090 1.563 1.00 72.43 N ATOM 577 CA PRO A 37 -8.058 -11.538 0.986 1.00 72.33 C ATOM 578 C PRO A 37 -8.778 -10.554 1.945 1.00 63.30 C ATOM 579 O PRO A 37 -9.629 -9.769 1.525 1.00 21.14 O ATOM 580 CB PRO A 37 -8.908 -12.806 0.699 1.00 43.53 C ATOM 581 CG PRO A 37 -8.322 -13.878 1.571 1.00 40.30 C ATOM 582 CD PRO A 37 -6.840 -13.578 1.637 1.00 54.33 C ATOM 0 HA PRO A 37 -7.877 -10.938 0.094 1.00 72.33 H new ATOM 0 HB2 PRO A 37 -9.959 -12.637 0.935 1.00 43.53 H new ATOM 0 HB3 PRO A 37 -8.858 -13.084 -0.354 1.00 43.53 H new ATOM 0 HG2 PRO A 37 -8.770 -13.865 2.565 1.00 40.30 H new ATOM 0 HG3 PRO A 37 -8.504 -14.868 1.153 1.00 40.30 H new ATOM 0 HD2 PRO A 37 -6.394 -13.950 2.559 1.00 54.33 H new ATOM 0 HD3 PRO A 37 -6.298 -14.040 0.812 1.00 54.33 H new ATOM 590 N ASP A 38 -8.416 -10.620 3.237 1.00 42.30 N ATOM 591 CA ASP A 38 -8.921 -9.707 4.285 1.00 41.11 C ATOM 592 C ASP A 38 -8.270 -8.309 4.164 1.00 12.35 C ATOM 593 O ASP A 38 -8.912 -7.291 4.445 1.00 61.31 O ATOM 594 CB ASP A 38 -8.629 -10.306 5.688 1.00 35.02 C ATOM 595 CG ASP A 38 -9.144 -11.751 5.846 1.00 44.12 C ATOM 596 OD1 ASP A 38 -10.219 -11.969 6.446 1.00 21.34 O ATOM 597 OD2 ASP A 38 -8.474 -12.680 5.336 1.00 34.05 O ATOM 0 H ASP A 38 -7.758 -11.315 3.590 1.00 42.30 H new ATOM 0 HA ASP A 38 -9.997 -9.595 4.153 1.00 41.11 H new ATOM 0 HB2 ASP A 38 -7.554 -10.288 5.868 1.00 35.02 H new ATOM 0 HB3 ASP A 38 -9.091 -9.677 6.449 1.00 35.02 H new ATOM 602 N VAL A 39 -6.986 -8.283 3.733 1.00 63.13 N ATOM 603 CA VAL A 39 -6.175 -7.045 3.634 1.00 63.44 C ATOM 604 C VAL A 39 -6.763 -6.066 2.600 1.00 2.15 C ATOM 605 O VAL A 39 -6.833 -4.864 2.866 1.00 64.10 O ATOM 606 CB VAL A 39 -4.661 -7.369 3.299 1.00 74.03 C ATOM 607 CG1 VAL A 39 -3.836 -6.093 2.976 1.00 13.12 C ATOM 608 CG2 VAL A 39 -4.007 -8.164 4.458 1.00 62.32 C ATOM 0 H VAL A 39 -6.482 -9.121 3.444 1.00 63.13 H new ATOM 0 HA VAL A 39 -6.208 -6.562 4.611 1.00 63.44 H new ATOM 0 HB VAL A 39 -4.658 -7.984 2.399 1.00 74.03 H new ATOM 0 HG11 VAL A 39 -2.806 -6.372 2.754 1.00 13.12 H new ATOM 0 HG12 VAL A 39 -4.269 -5.588 2.113 1.00 13.12 H new ATOM 0 HG13 VAL A 39 -3.853 -5.422 3.835 1.00 13.12 H new ATOM 0 HG21 VAL A 39 -2.967 -8.378 4.211 1.00 62.32 H new ATOM 0 HG22 VAL A 39 -4.048 -7.573 5.373 1.00 62.32 H new ATOM 0 HG23 VAL A 39 -4.545 -9.100 4.606 1.00 62.32 H new ATOM 618 N LEU A 40 -7.219 -6.590 1.447 1.00 11.44 N ATOM 619 CA LEU A 40 -7.762 -5.749 0.355 1.00 30.33 C ATOM 620 C LEU A 40 -8.993 -4.949 0.831 1.00 55.33 C ATOM 621 O LEU A 40 -9.180 -3.790 0.445 1.00 1.12 O ATOM 622 CB LEU A 40 -8.090 -6.629 -0.895 1.00 10.12 C ATOM 623 CG LEU A 40 -9.391 -7.537 -0.849 1.00 71.10 C ATOM 624 CD1 LEU A 40 -10.644 -6.828 -1.415 1.00 4.12 C ATOM 625 CD2 LEU A 40 -9.167 -8.879 -1.556 1.00 71.22 C ATOM 0 H LEU A 40 -7.224 -7.590 1.244 1.00 11.44 H new ATOM 0 HA LEU A 40 -7.003 -5.024 0.063 1.00 30.33 H new ATOM 0 HB2 LEU A 40 -8.176 -5.966 -1.756 1.00 10.12 H new ATOM 0 HB3 LEU A 40 -7.235 -7.280 -1.078 1.00 10.12 H new ATOM 0 HG LEU A 40 -9.583 -7.728 0.207 1.00 71.10 H new ATOM 0 HD11 LEU A 40 -11.500 -7.500 -1.356 1.00 4.12 H new ATOM 0 HD12 LEU A 40 -10.848 -5.929 -0.833 1.00 4.12 H new ATOM 0 HD13 LEU A 40 -10.468 -6.555 -2.455 1.00 4.12 H new ATOM 0 HD21 LEU A 40 -10.079 -9.474 -1.504 1.00 71.22 H new ATOM 0 HD22 LEU A 40 -8.908 -8.702 -2.600 1.00 71.22 H new ATOM 0 HD23 LEU A 40 -8.355 -9.417 -1.067 1.00 71.22 H new ATOM 637 N ASP A 41 -9.790 -5.592 1.716 1.00 4.43 N ATOM 638 CA ASP A 41 -11.057 -5.047 2.225 1.00 31.01 C ATOM 639 C ASP A 41 -10.793 -3.899 3.211 1.00 34.53 C ATOM 640 O ASP A 41 -11.301 -2.803 3.015 1.00 34.53 O ATOM 641 CB ASP A 41 -11.921 -6.168 2.871 1.00 33.34 C ATOM 642 CG ASP A 41 -13.318 -5.689 3.346 1.00 2.22 C ATOM 643 OD1 ASP A 41 -13.736 -6.010 4.475 1.00 22.21 O ATOM 644 OD2 ASP A 41 -14.015 -4.994 2.571 1.00 21.44 O ATOM 0 H ASP A 41 -9.564 -6.511 2.096 1.00 4.43 H new ATOM 0 HA ASP A 41 -11.622 -4.641 1.386 1.00 31.01 H new ATOM 0 HB2 ASP A 41 -12.050 -6.975 2.150 1.00 33.34 H new ATOM 0 HB3 ASP A 41 -11.382 -6.584 3.722 1.00 33.34 H new ATOM 649 N GLN A 42 -9.949 -4.141 4.234 1.00 24.50 N ATOM 650 CA GLN A 42 -9.631 -3.118 5.262 1.00 35.25 C ATOM 651 C GLN A 42 -8.956 -1.860 4.652 1.00 2.43 C ATOM 652 O GLN A 42 -9.110 -0.749 5.171 1.00 22.43 O ATOM 653 CB GLN A 42 -8.753 -3.735 6.385 1.00 51.02 C ATOM 654 CG GLN A 42 -7.388 -4.281 5.923 1.00 43.33 C ATOM 655 CD GLN A 42 -6.513 -4.843 7.053 1.00 75.34 C ATOM 656 OE1 GLN A 42 -7.013 -5.312 8.073 1.00 14.23 O ATOM 657 NE2 GLN A 42 -5.200 -4.809 6.866 1.00 13.15 N ATOM 0 H GLN A 42 -9.474 -5.033 4.374 1.00 24.50 H new ATOM 0 HA GLN A 42 -10.574 -2.787 5.697 1.00 35.25 H new ATOM 0 HB2 GLN A 42 -8.584 -2.977 7.150 1.00 51.02 H new ATOM 0 HB3 GLN A 42 -9.310 -4.545 6.856 1.00 51.02 H new ATOM 0 HG2 GLN A 42 -7.555 -5.066 5.185 1.00 43.33 H new ATOM 0 HG3 GLN A 42 -6.842 -3.482 5.421 1.00 43.33 H new ATOM 0 HE21 GLN A 42 -4.817 -4.413 6.008 1.00 13.15 H new ATOM 0 HE22 GLN A 42 -4.573 -5.179 7.581 1.00 13.15 H new ATOM 666 N VAL A 43 -8.220 -2.058 3.537 1.00 12.20 N ATOM 667 CA VAL A 43 -7.573 -0.970 2.780 1.00 23.44 C ATOM 668 C VAL A 43 -8.626 -0.123 2.022 1.00 74.24 C ATOM 669 O VAL A 43 -8.614 1.107 2.120 1.00 15.02 O ATOM 670 CB VAL A 43 -6.481 -1.545 1.789 1.00 1.54 C ATOM 671 CG1 VAL A 43 -5.978 -0.485 0.785 1.00 54.32 C ATOM 672 CG2 VAL A 43 -5.283 -2.147 2.573 1.00 72.21 C ATOM 0 H VAL A 43 -8.059 -2.982 3.137 1.00 12.20 H new ATOM 0 HA VAL A 43 -7.068 -0.316 3.490 1.00 23.44 H new ATOM 0 HB VAL A 43 -6.967 -2.335 1.216 1.00 1.54 H new ATOM 0 HG11 VAL A 43 -5.231 -0.931 0.129 1.00 54.32 H new ATOM 0 HG12 VAL A 43 -6.815 -0.123 0.188 1.00 54.32 H new ATOM 0 HG13 VAL A 43 -5.532 0.348 1.328 1.00 54.32 H new ATOM 0 HG21 VAL A 43 -4.546 -2.535 1.870 1.00 72.21 H new ATOM 0 HG22 VAL A 43 -4.825 -1.373 3.188 1.00 72.21 H new ATOM 0 HG23 VAL A 43 -5.636 -2.956 3.212 1.00 72.21 H new ATOM 682 N ARG A 44 -9.549 -0.793 1.298 1.00 12.13 N ATOM 683 CA ARG A 44 -10.566 -0.106 0.456 1.00 1.44 C ATOM 684 C ARG A 44 -11.671 0.565 1.314 1.00 1.43 C ATOM 685 O ARG A 44 -12.358 1.480 0.839 1.00 54.12 O ATOM 686 CB ARG A 44 -11.189 -1.080 -0.588 1.00 74.24 C ATOM 687 CG ARG A 44 -12.030 -2.211 0.034 1.00 33.01 C ATOM 688 CD ARG A 44 -12.691 -3.160 -0.981 1.00 42.40 C ATOM 689 NE ARG A 44 -13.450 -4.216 -0.280 1.00 74.41 N ATOM 690 CZ ARG A 44 -14.021 -5.290 -0.850 1.00 1.00 C ATOM 691 NH1 ARG A 44 -13.951 -5.490 -2.157 1.00 13.40 N ATOM 692 NH2 ARG A 44 -14.646 -6.178 -0.091 1.00 14.04 N ATOM 0 H ARG A 44 -9.615 -1.811 1.277 1.00 12.13 H new ATOM 0 HA ARG A 44 -10.048 0.685 -0.086 1.00 1.44 H new ATOM 0 HB2 ARG A 44 -11.816 -0.509 -1.273 1.00 74.24 H new ATOM 0 HB3 ARG A 44 -10.388 -1.521 -1.181 1.00 74.24 H new ATOM 0 HG2 ARG A 44 -11.392 -2.797 0.695 1.00 33.01 H new ATOM 0 HG3 ARG A 44 -12.808 -1.766 0.654 1.00 33.01 H new ATOM 0 HD2 ARG A 44 -13.358 -2.597 -1.634 1.00 42.40 H new ATOM 0 HD3 ARG A 44 -11.929 -3.612 -1.616 1.00 42.40 H new ATOM 0 HE ARG A 44 -13.550 -4.121 0.731 1.00 74.41 H new ATOM 0 HH11 ARG A 44 -13.457 -4.822 -2.749 1.00 13.40 H new ATOM 0 HH12 ARG A 44 -14.391 -6.312 -2.571 1.00 13.40 H new ATOM 0 HH21 ARG A 44 -14.691 -6.044 0.919 1.00 14.04 H new ATOM 0 HH22 ARG A 44 -15.082 -6.996 -0.517 1.00 14.04 H new ATOM 706 N GLU A 45 -11.852 0.108 2.568 1.00 44.24 N ATOM 707 CA GLU A 45 -12.820 0.723 3.505 1.00 73.32 C ATOM 708 C GLU A 45 -12.198 1.956 4.188 1.00 63.44 C ATOM 709 O GLU A 45 -12.893 2.957 4.437 1.00 12.31 O ATOM 710 CB GLU A 45 -13.322 -0.320 4.544 1.00 15.23 C ATOM 711 CG GLU A 45 -13.996 -1.564 3.916 1.00 1.23 C ATOM 712 CD GLU A 45 -15.121 -1.235 2.909 1.00 33.43 C ATOM 713 OE1 GLU A 45 -14.849 -1.131 1.691 1.00 34.44 O ATOM 714 OE2 GLU A 45 -16.286 -1.066 3.337 1.00 3.31 O ATOM 0 H GLU A 45 -11.342 -0.685 2.958 1.00 44.24 H new ATOM 0 HA GLU A 45 -13.688 1.061 2.939 1.00 73.32 H new ATOM 0 HB2 GLU A 45 -12.478 -0.646 5.153 1.00 15.23 H new ATOM 0 HB3 GLU A 45 -14.031 0.164 5.215 1.00 15.23 H new ATOM 0 HG2 GLU A 45 -13.235 -2.160 3.412 1.00 1.23 H new ATOM 0 HG3 GLU A 45 -14.407 -2.182 4.714 1.00 1.23 H new ATOM 721 N HIS A 46 -10.876 1.882 4.465 1.00 4.04 N ATOM 722 CA HIS A 46 -10.095 3.046 4.938 1.00 41.12 C ATOM 723 C HIS A 46 -9.953 4.097 3.820 1.00 64.24 C ATOM 724 O HIS A 46 -9.781 5.294 4.071 1.00 23.34 O ATOM 725 CB HIS A 46 -8.700 2.616 5.461 1.00 55.03 C ATOM 726 CG HIS A 46 -7.879 3.778 5.966 1.00 62.51 C ATOM 727 ND1 HIS A 46 -8.262 4.549 7.043 1.00 12.44 N ATOM 728 CD2 HIS A 46 -6.756 4.359 5.480 1.00 31.34 C ATOM 729 CE1 HIS A 46 -7.423 5.548 7.185 1.00 45.23 C ATOM 730 NE2 HIS A 46 -6.499 5.452 6.253 1.00 35.11 N ATOM 0 H HIS A 46 -10.328 1.027 4.369 1.00 4.04 H new ATOM 0 HA HIS A 46 -10.639 3.494 5.769 1.00 41.12 H new ATOM 0 HB2 HIS A 46 -8.826 1.890 6.265 1.00 55.03 H new ATOM 0 HB3 HIS A 46 -8.156 2.114 4.661 1.00 55.03 H new ATOM 0 HD2 HIS A 46 -6.173 4.019 4.637 1.00 31.34 H new ATOM 0 HE1 HIS A 46 -7.481 6.319 7.939 1.00 45.23 H new ATOM 0 HE2 HIS A 46 -5.715 6.093 6.129 1.00 35.11 H new ATOM 739 N ALA A 47 -10.018 3.607 2.591 1.00 51.43 N ATOM 740 CA ALA A 47 -9.985 4.419 1.384 1.00 3.14 C ATOM 741 C ALA A 47 -11.248 5.274 1.246 1.00 11.11 C ATOM 742 O ALA A 47 -11.179 6.424 0.808 1.00 62.23 O ATOM 743 CB ALA A 47 -9.852 3.495 0.200 1.00 51.33 C ATOM 0 H ALA A 47 -10.097 2.608 2.401 1.00 51.43 H new ATOM 0 HA ALA A 47 -9.138 5.103 1.435 1.00 3.14 H new ATOM 0 HB1 ALA A 47 -9.825 4.082 -0.718 1.00 51.33 H new ATOM 0 HB2 ALA A 47 -8.931 2.919 0.290 1.00 51.33 H new ATOM 0 HB3 ALA A 47 -10.704 2.815 0.171 1.00 51.33 H new ATOM 749 N ARG A 48 -12.401 4.686 1.625 1.00 62.13 N ATOM 750 CA ARG A 48 -13.696 5.390 1.641 1.00 11.43 C ATOM 751 C ARG A 48 -13.703 6.536 2.688 1.00 22.12 C ATOM 752 O ARG A 48 -14.513 7.456 2.591 1.00 52.24 O ATOM 753 CB ARG A 48 -14.865 4.392 1.897 1.00 65.45 C ATOM 754 CG ARG A 48 -15.218 3.472 0.701 1.00 14.54 C ATOM 755 CD ARG A 48 -16.397 2.518 1.009 1.00 3.13 C ATOM 756 NE ARG A 48 -16.930 1.865 -0.210 1.00 52.21 N ATOM 757 CZ ARG A 48 -17.487 0.637 -0.267 1.00 21.50 C ATOM 758 NH1 ARG A 48 -17.602 -0.125 0.821 1.00 33.52 N ATOM 759 NH2 ARG A 48 -17.927 0.172 -1.433 1.00 32.12 N ATOM 0 H ARG A 48 -12.459 3.714 1.927 1.00 62.13 H new ATOM 0 HA ARG A 48 -13.843 5.840 0.659 1.00 11.43 H new ATOM 0 HB2 ARG A 48 -14.608 3.767 2.752 1.00 65.45 H new ATOM 0 HB3 ARG A 48 -15.753 4.960 2.173 1.00 65.45 H new ATOM 0 HG2 ARG A 48 -15.470 4.087 -0.163 1.00 14.54 H new ATOM 0 HG3 ARG A 48 -14.341 2.884 0.429 1.00 14.54 H new ATOM 0 HD2 ARG A 48 -16.068 1.754 1.713 1.00 3.13 H new ATOM 0 HD3 ARG A 48 -17.195 3.077 1.497 1.00 3.13 H new ATOM 0 HE ARG A 48 -16.871 2.390 -1.083 1.00 52.21 H new ATOM 0 HH11 ARG A 48 -17.265 0.217 1.721 1.00 33.52 H new ATOM 0 HH12 ARG A 48 -18.027 -1.050 0.753 1.00 33.52 H new ATOM 0 HH21 ARG A 48 -17.842 0.742 -2.274 1.00 32.12 H new ATOM 0 HH22 ARG A 48 -18.349 -0.755 -1.486 1.00 32.12 H new ATOM 773 N GLU A 49 -12.796 6.458 3.688 1.00 62.12 N ATOM 774 CA GLU A 49 -12.592 7.529 4.695 1.00 42.33 C ATOM 775 C GLU A 49 -11.890 8.750 4.057 1.00 73.11 C ATOM 776 O GLU A 49 -12.321 9.893 4.242 1.00 35.21 O ATOM 777 CB GLU A 49 -11.755 6.991 5.891 1.00 4.54 C ATOM 778 CG GLU A 49 -12.428 5.846 6.678 1.00 22.52 C ATOM 779 CD GLU A 49 -11.524 5.208 7.751 1.00 3.32 C ATOM 780 OE1 GLU A 49 -10.866 5.947 8.516 1.00 55.30 O ATOM 781 OE2 GLU A 49 -11.457 3.962 7.840 1.00 61.14 O ATOM 0 H GLU A 49 -12.185 5.653 3.821 1.00 62.12 H new ATOM 0 HA GLU A 49 -13.568 7.846 5.063 1.00 42.33 H new ATOM 0 HB2 GLU A 49 -10.793 6.641 5.517 1.00 4.54 H new ATOM 0 HB3 GLU A 49 -11.551 7.815 6.575 1.00 4.54 H new ATOM 0 HG2 GLU A 49 -13.329 6.229 7.157 1.00 22.52 H new ATOM 0 HG3 GLU A 49 -12.744 5.073 5.977 1.00 22.52 H new ATOM 788 N LEU A 50 -10.813 8.471 3.287 1.00 35.12 N ATOM 789 CA LEU A 50 -10.047 9.501 2.545 1.00 15.33 C ATOM 790 C LEU A 50 -10.872 10.071 1.369 1.00 12.10 C ATOM 791 O LEU A 50 -10.626 11.190 0.909 1.00 32.23 O ATOM 792 CB LEU A 50 -8.709 8.895 2.028 1.00 14.51 C ATOM 793 CG LEU A 50 -7.730 8.347 3.116 1.00 74.31 C ATOM 794 CD1 LEU A 50 -6.476 7.713 2.477 1.00 71.34 C ATOM 795 CD2 LEU A 50 -7.340 9.451 4.112 1.00 13.33 C ATOM 0 H LEU A 50 -10.450 7.526 3.162 1.00 35.12 H new ATOM 0 HA LEU A 50 -9.827 10.323 3.226 1.00 15.33 H new ATOM 0 HB2 LEU A 50 -8.945 8.083 1.340 1.00 14.51 H new ATOM 0 HB3 LEU A 50 -8.187 9.659 1.452 1.00 14.51 H new ATOM 0 HG LEU A 50 -8.253 7.564 3.666 1.00 74.31 H new ATOM 0 HD11 LEU A 50 -5.816 7.342 3.261 1.00 71.34 H new ATOM 0 HD12 LEU A 50 -6.775 6.886 1.833 1.00 71.34 H new ATOM 0 HD13 LEU A 50 -5.951 8.463 1.885 1.00 71.34 H new ATOM 0 HD21 LEU A 50 -6.658 9.043 4.858 1.00 13.33 H new ATOM 0 HD22 LEU A 50 -6.849 10.265 3.579 1.00 13.33 H new ATOM 0 HD23 LEU A 50 -8.235 9.828 4.606 1.00 13.33 H new ATOM 807 N GLN A 51 -11.859 9.273 0.914 1.00 11.22 N ATOM 808 CA GLN A 51 -12.772 9.633 -0.184 1.00 41.45 C ATOM 809 C GLN A 51 -13.776 10.727 0.254 1.00 5.55 C ATOM 810 O GLN A 51 -14.245 11.515 -0.576 1.00 44.24 O ATOM 811 CB GLN A 51 -13.523 8.365 -0.681 1.00 2.21 C ATOM 812 CG GLN A 51 -14.391 8.567 -1.942 1.00 34.24 C ATOM 813 CD GLN A 51 -13.572 8.942 -3.177 1.00 64.03 C ATOM 814 OE1 GLN A 51 -13.333 10.123 -3.461 1.00 53.05 O ATOM 815 NE2 GLN A 51 -13.141 7.944 -3.921 1.00 41.22 N ATOM 0 H GLN A 51 -12.045 8.349 1.305 1.00 11.22 H new ATOM 0 HA GLN A 51 -12.181 10.041 -1.004 1.00 41.45 H new ATOM 0 HB2 GLN A 51 -12.790 7.585 -0.885 1.00 2.21 H new ATOM 0 HB3 GLN A 51 -14.160 8.001 0.125 1.00 2.21 H new ATOM 0 HG2 GLN A 51 -14.946 7.651 -2.145 1.00 34.24 H new ATOM 0 HG3 GLN A 51 -15.126 9.349 -1.749 1.00 34.24 H new ATOM 0 HE21 GLN A 51 -13.356 6.982 -3.658 1.00 41.22 H new ATOM 0 HE22 GLN A 51 -12.592 8.133 -4.760 1.00 41.22 H new ATOM 824 N LYS A 52 -14.086 10.783 1.569 1.00 63.24 N ATOM 825 CA LYS A 52 -14.986 11.822 2.137 1.00 3.31 C ATOM 826 C LYS A 52 -14.242 13.161 2.316 1.00 13.33 C ATOM 827 O LYS A 52 -14.848 14.171 2.686 1.00 25.03 O ATOM 828 CB LYS A 52 -15.560 11.378 3.510 1.00 31.23 C ATOM 829 CG LYS A 52 -16.305 10.027 3.500 1.00 10.41 C ATOM 830 CD LYS A 52 -16.979 9.709 4.861 1.00 31.03 C ATOM 831 CE LYS A 52 -17.412 8.240 4.987 1.00 14.03 C ATOM 832 NZ LYS A 52 -16.238 7.329 4.976 1.00 51.53 N ATOM 0 H LYS A 52 -13.728 10.123 2.259 1.00 63.24 H new ATOM 0 HA LYS A 52 -15.806 11.955 1.431 1.00 3.31 H new ATOM 0 HB2 LYS A 52 -14.741 11.319 4.227 1.00 31.23 H new ATOM 0 HB3 LYS A 52 -16.242 12.149 3.868 1.00 31.23 H new ATOM 0 HG2 LYS A 52 -17.063 10.040 2.717 1.00 10.41 H new ATOM 0 HG3 LYS A 52 -15.603 9.231 3.251 1.00 10.41 H new ATOM 0 HD2 LYS A 52 -16.287 9.949 5.668 1.00 31.03 H new ATOM 0 HD3 LYS A 52 -17.851 10.351 4.988 1.00 31.03 H new ATOM 0 HE2 LYS A 52 -17.974 8.102 5.911 1.00 14.03 H new ATOM 0 HE3 LYS A 52 -18.081 7.984 4.166 1.00 14.03 H new ATOM 0 HZ1 LYS A 52 -16.556 6.351 5.130 1.00 51.53 H new ATOM 0 HZ2 LYS A 52 -15.756 7.395 4.057 1.00 51.53 H new ATOM 0 HZ3 LYS A 52 -15.579 7.602 5.733 1.00 51.53 H new ATOM 846 N GLN A 53 -12.920 13.141 2.079 1.00 4.15 N ATOM 847 CA GLN A 53 -12.031 14.301 2.259 1.00 64.53 C ATOM 848 C GLN A 53 -11.418 14.716 0.911 1.00 54.23 C ATOM 849 O GLN A 53 -11.576 14.015 -0.103 1.00 41.04 O ATOM 850 CB GLN A 53 -10.919 13.940 3.286 1.00 33.35 C ATOM 851 CG GLN A 53 -11.467 13.472 4.649 1.00 11.31 C ATOM 852 CD GLN A 53 -10.405 13.141 5.699 1.00 34.21 C ATOM 853 OE1 GLN A 53 -10.610 12.255 6.533 1.00 45.15 O ATOM 854 NE2 GLN A 53 -9.299 13.873 5.719 1.00 71.42 N ATOM 0 H GLN A 53 -12.432 12.307 1.752 1.00 4.15 H new ATOM 0 HA GLN A 53 -12.605 15.146 2.641 1.00 64.53 H new ATOM 0 HB2 GLN A 53 -10.290 13.154 2.867 1.00 33.35 H new ATOM 0 HB3 GLN A 53 -10.281 14.810 3.440 1.00 33.35 H new ATOM 0 HG2 GLN A 53 -12.119 14.250 5.047 1.00 11.31 H new ATOM 0 HG3 GLN A 53 -12.086 12.589 4.490 1.00 11.31 H new ATOM 0 HE21 GLN A 53 -9.155 14.599 5.017 1.00 71.42 H new ATOM 0 HE22 GLN A 53 -8.592 13.710 6.436 1.00 71.42 H new ATOM 863 N GLY A 54 -10.710 15.859 0.919 1.00 35.24 N ATOM 864 CA GLY A 54 -10.026 16.372 -0.265 1.00 13.43 C ATOM 865 C GLY A 54 -8.552 16.000 -0.312 1.00 52.53 C ATOM 866 O GLY A 54 -7.767 16.694 -0.967 1.00 13.31 O ATOM 0 H GLY A 54 -10.600 16.446 1.746 1.00 35.24 H new ATOM 0 HA2 GLY A 54 -10.520 15.988 -1.157 1.00 13.43 H new ATOM 0 HA3 GLY A 54 -10.121 17.458 -0.290 1.00 13.43 H new ATOM 870 N ILE A 55 -8.173 14.893 0.379 1.00 65.44 N ATOM 871 CA ILE A 55 -6.791 14.371 0.361 1.00 31.33 C ATOM 872 C ILE A 55 -6.521 13.678 -0.990 1.00 44.43 C ATOM 873 O ILE A 55 -6.802 12.486 -1.170 1.00 53.34 O ATOM 874 CB ILE A 55 -6.484 13.376 1.560 1.00 20.25 C ATOM 875 CG1 ILE A 55 -6.873 14.018 2.928 1.00 35.30 C ATOM 876 CG2 ILE A 55 -4.984 12.952 1.557 1.00 74.41 C ATOM 877 CD1 ILE A 55 -6.564 13.171 4.155 1.00 11.35 C ATOM 0 H ILE A 55 -8.812 14.347 0.956 1.00 65.44 H new ATOM 0 HA ILE A 55 -6.123 15.223 0.489 1.00 31.33 H new ATOM 0 HB ILE A 55 -7.091 12.481 1.420 1.00 20.25 H new ATOM 0 HG12 ILE A 55 -6.353 14.971 3.024 1.00 35.30 H new ATOM 0 HG13 ILE A 55 -7.941 14.237 2.917 1.00 35.30 H new ATOM 0 HG21 ILE A 55 -4.797 12.271 2.387 1.00 74.41 H new ATOM 0 HG22 ILE A 55 -4.749 12.452 0.617 1.00 74.41 H new ATOM 0 HG23 ILE A 55 -4.356 13.836 1.665 1.00 74.41 H new ATOM 0 HD11 ILE A 55 -6.872 13.706 5.053 1.00 11.35 H new ATOM 0 HD12 ILE A 55 -7.105 12.227 4.091 1.00 11.35 H new ATOM 0 HD13 ILE A 55 -5.493 12.973 4.200 1.00 11.35 H new ATOM 889 N HIS A 56 -6.055 14.468 -1.964 1.00 73.33 N ATOM 890 CA HIS A 56 -5.619 13.969 -3.276 1.00 50.41 C ATOM 891 C HIS A 56 -4.085 13.914 -3.282 1.00 33.31 C ATOM 892 O HIS A 56 -3.430 14.952 -3.305 1.00 31.22 O ATOM 893 CB HIS A 56 -6.152 14.894 -4.411 1.00 54.30 C ATOM 894 CG HIS A 56 -7.639 14.798 -4.632 1.00 12.42 C ATOM 895 ND1 HIS A 56 -8.194 14.024 -5.630 1.00 25.33 N ATOM 896 CD2 HIS A 56 -8.686 15.367 -3.983 1.00 52.45 C ATOM 897 CE1 HIS A 56 -9.505 14.121 -5.586 1.00 2.51 C ATOM 898 NE2 HIS A 56 -9.827 14.927 -4.596 1.00 1.04 N ATOM 0 H HIS A 56 -5.969 15.479 -1.864 1.00 73.33 H new ATOM 0 HA HIS A 56 -6.020 12.971 -3.454 1.00 50.41 H new ATOM 0 HB2 HIS A 56 -5.896 15.927 -4.174 1.00 54.30 H new ATOM 0 HB3 HIS A 56 -5.640 14.644 -5.340 1.00 54.30 H new ATOM 0 HD2 HIS A 56 -8.629 16.041 -3.141 1.00 52.45 H new ATOM 0 HE1 HIS A 56 -10.199 13.625 -6.249 1.00 2.51 H new ATOM 0 HE2 HIS A 56 -10.777 15.183 -4.328 1.00 1.04 H new ATOM 907 N PHE A 57 -3.522 12.698 -3.287 1.00 43.43 N ATOM 908 CA PHE A 57 -2.068 12.473 -3.164 1.00 53.33 C ATOM 909 C PHE A 57 -1.520 11.798 -4.430 1.00 10.31 C ATOM 910 O PHE A 57 -2.134 10.865 -4.961 1.00 34.20 O ATOM 911 CB PHE A 57 -1.757 11.640 -1.884 1.00 33.33 C ATOM 912 CG PHE A 57 -2.589 10.366 -1.725 1.00 1.20 C ATOM 913 CD1 PHE A 57 -2.168 9.155 -2.276 1.00 15.24 C ATOM 914 CD2 PHE A 57 -3.805 10.385 -1.033 1.00 73.11 C ATOM 915 CE1 PHE A 57 -2.925 8.017 -2.140 1.00 11.24 C ATOM 916 CE2 PHE A 57 -4.558 9.239 -0.897 1.00 51.53 C ATOM 917 CZ PHE A 57 -4.114 8.059 -1.456 1.00 14.30 C ATOM 0 H PHE A 57 -4.061 11.837 -3.377 1.00 43.43 H new ATOM 0 HA PHE A 57 -1.566 13.435 -3.063 1.00 53.33 H new ATOM 0 HB2 PHE A 57 -0.701 11.368 -1.893 1.00 33.33 H new ATOM 0 HB3 PHE A 57 -1.916 12.272 -1.010 1.00 33.33 H new ATOM 0 HD1 PHE A 57 -1.234 9.112 -2.817 1.00 15.24 H new ATOM 0 HD2 PHE A 57 -4.158 11.309 -0.600 1.00 73.11 H new ATOM 0 HE1 PHE A 57 -2.584 7.088 -2.572 1.00 11.24 H new ATOM 0 HE2 PHE A 57 -5.492 9.265 -0.355 1.00 51.53 H new ATOM 0 HZ PHE A 57 -4.706 7.162 -1.355 1.00 14.30 H new ATOM 927 N GLU A 58 -0.373 12.298 -4.916 1.00 43.12 N ATOM 928 CA GLU A 58 0.305 11.775 -6.110 1.00 24.45 C ATOM 929 C GLU A 58 1.530 10.955 -5.696 1.00 0.11 C ATOM 930 O GLU A 58 2.417 11.465 -5.008 1.00 25.01 O ATOM 931 CB GLU A 58 0.719 12.953 -7.033 1.00 2.21 C ATOM 932 CG GLU A 58 -0.467 13.788 -7.564 1.00 13.15 C ATOM 933 CD GLU A 58 -1.394 13.012 -8.528 1.00 44.22 C ATOM 934 OE1 GLU A 58 -1.194 13.083 -9.761 1.00 64.25 O ATOM 935 OE2 GLU A 58 -2.321 12.317 -8.066 1.00 22.25 O ATOM 0 H GLU A 58 0.114 13.085 -4.486 1.00 43.12 H new ATOM 0 HA GLU A 58 -0.375 11.124 -6.659 1.00 24.45 H new ATOM 0 HB2 GLU A 58 1.394 13.610 -6.485 1.00 2.21 H new ATOM 0 HB3 GLU A 58 1.278 12.557 -7.881 1.00 2.21 H new ATOM 0 HG2 GLU A 58 -1.055 14.146 -6.719 1.00 13.15 H new ATOM 0 HG3 GLU A 58 -0.079 14.668 -8.077 1.00 13.15 H new ATOM 942 N VAL A 59 1.551 9.679 -6.116 1.00 60.20 N ATOM 943 CA VAL A 59 2.666 8.749 -5.861 1.00 53.14 C ATOM 944 C VAL A 59 3.874 9.182 -6.712 1.00 33.04 C ATOM 945 O VAL A 59 3.918 8.937 -7.929 1.00 62.34 O ATOM 946 CB VAL A 59 2.266 7.251 -6.185 1.00 1.34 C ATOM 947 CG1 VAL A 59 3.422 6.266 -5.863 1.00 72.23 C ATOM 948 CG2 VAL A 59 0.962 6.839 -5.451 1.00 34.04 C ATOM 0 H VAL A 59 0.788 9.259 -6.647 1.00 60.20 H new ATOM 0 HA VAL A 59 2.921 8.787 -4.802 1.00 53.14 H new ATOM 0 HB VAL A 59 2.076 7.196 -7.257 1.00 1.34 H new ATOM 0 HG11 VAL A 59 3.109 5.249 -6.098 1.00 72.23 H new ATOM 0 HG12 VAL A 59 4.297 6.524 -6.460 1.00 72.23 H new ATOM 0 HG13 VAL A 59 3.673 6.333 -4.804 1.00 72.23 H new ATOM 0 HG21 VAL A 59 0.717 5.805 -5.696 1.00 34.04 H new ATOM 0 HG22 VAL A 59 1.105 6.932 -4.375 1.00 34.04 H new ATOM 0 HG23 VAL A 59 0.146 7.489 -5.766 1.00 34.04 H new ATOM 958 N LYS A 60 4.831 9.856 -6.061 1.00 51.14 N ATOM 959 CA LYS A 60 5.997 10.462 -6.731 1.00 54.15 C ATOM 960 C LYS A 60 7.040 9.399 -7.072 1.00 62.33 C ATOM 961 O LYS A 60 7.595 9.378 -8.179 1.00 34.24 O ATOM 962 CB LYS A 60 6.627 11.537 -5.803 1.00 23.14 C ATOM 963 CG LYS A 60 5.697 12.724 -5.488 1.00 52.35 C ATOM 964 CD LYS A 60 5.292 13.521 -6.749 1.00 20.12 C ATOM 965 CE LYS A 60 6.505 14.109 -7.494 1.00 4.30 C ATOM 966 NZ LYS A 60 6.103 15.079 -8.546 1.00 34.10 N ATOM 0 H LYS A 60 4.821 9.999 -5.051 1.00 51.14 H new ATOM 0 HA LYS A 60 5.664 10.927 -7.659 1.00 54.15 H new ATOM 0 HB2 LYS A 60 6.923 11.064 -4.867 1.00 23.14 H new ATOM 0 HB3 LYS A 60 7.536 11.916 -6.270 1.00 23.14 H new ATOM 0 HG2 LYS A 60 4.799 12.354 -4.994 1.00 52.35 H new ATOM 0 HG3 LYS A 60 6.195 13.393 -4.786 1.00 52.35 H new ATOM 0 HD2 LYS A 60 4.737 12.869 -7.424 1.00 20.12 H new ATOM 0 HD3 LYS A 60 4.619 14.330 -6.463 1.00 20.12 H new ATOM 0 HE2 LYS A 60 7.163 14.603 -6.779 1.00 4.30 H new ATOM 0 HE3 LYS A 60 7.077 13.300 -7.948 1.00 4.30 H new ATOM 0 HZ1 LYS A 60 6.952 15.448 -9.020 1.00 34.10 H new ATOM 0 HZ2 LYS A 60 5.496 14.603 -9.244 1.00 34.10 H new ATOM 0 HZ3 LYS A 60 5.580 15.866 -8.111 1.00 34.10 H new ATOM 980 N ARG A 61 7.279 8.520 -6.101 1.00 53.32 N ATOM 981 CA ARG A 61 8.282 7.459 -6.192 1.00 53.15 C ATOM 982 C ARG A 61 7.854 6.296 -5.297 1.00 71.10 C ATOM 983 O ARG A 61 7.310 6.515 -4.224 1.00 25.32 O ATOM 984 CB ARG A 61 9.684 8.013 -5.774 1.00 61.24 C ATOM 985 CG ARG A 61 10.831 6.972 -5.706 1.00 22.33 C ATOM 986 CD ARG A 61 11.051 6.206 -7.026 1.00 3.55 C ATOM 987 NE ARG A 61 11.359 7.096 -8.158 1.00 65.44 N ATOM 988 CZ ARG A 61 12.574 7.259 -8.714 1.00 61.44 C ATOM 989 NH1 ARG A 61 13.642 6.597 -8.254 1.00 2.34 N ATOM 990 NH2 ARG A 61 12.713 8.092 -9.737 1.00 2.43 N ATOM 0 H ARG A 61 6.774 8.524 -5.215 1.00 53.32 H new ATOM 0 HA ARG A 61 8.360 7.101 -7.219 1.00 53.15 H new ATOM 0 HB2 ARG A 61 9.969 8.794 -6.479 1.00 61.24 H new ATOM 0 HB3 ARG A 61 9.590 8.485 -4.796 1.00 61.24 H new ATOM 0 HG2 ARG A 61 11.756 7.480 -5.433 1.00 22.33 H new ATOM 0 HG3 ARG A 61 10.614 6.257 -4.913 1.00 22.33 H new ATOM 0 HD2 ARG A 61 11.867 5.495 -6.896 1.00 3.55 H new ATOM 0 HD3 ARG A 61 10.157 5.627 -7.258 1.00 3.55 H new ATOM 0 HE ARG A 61 10.588 7.634 -8.554 1.00 65.44 H new ATOM 0 HH11 ARG A 61 13.544 5.955 -7.468 1.00 2.34 H new ATOM 0 HH12 ARG A 61 14.554 6.735 -8.690 1.00 2.34 H new ATOM 0 HH21 ARG A 61 11.904 8.601 -10.094 1.00 2.43 H new ATOM 0 HH22 ARG A 61 13.629 8.224 -10.167 1.00 2.43 H new ATOM 1004 N VAL A 62 8.096 5.068 -5.764 1.00 60.51 N ATOM 1005 CA VAL A 62 7.885 3.840 -4.986 1.00 44.53 C ATOM 1006 C VAL A 62 9.137 2.943 -5.130 1.00 45.03 C ATOM 1007 O VAL A 62 9.429 2.423 -6.219 1.00 23.14 O ATOM 1008 CB VAL A 62 6.555 3.103 -5.437 1.00 61.05 C ATOM 1009 CG1 VAL A 62 6.478 2.911 -6.972 1.00 11.13 C ATOM 1010 CG2 VAL A 62 6.363 1.762 -4.677 1.00 61.13 C ATOM 0 H VAL A 62 8.449 4.895 -6.705 1.00 60.51 H new ATOM 0 HA VAL A 62 7.752 4.082 -3.932 1.00 44.53 H new ATOM 0 HB VAL A 62 5.725 3.755 -5.166 1.00 61.05 H new ATOM 0 HG11 VAL A 62 5.549 2.402 -7.229 1.00 11.13 H new ATOM 0 HG12 VAL A 62 6.506 3.884 -7.462 1.00 11.13 H new ATOM 0 HG13 VAL A 62 7.325 2.312 -7.307 1.00 11.13 H new ATOM 0 HG21 VAL A 62 5.442 1.283 -5.010 1.00 61.13 H new ATOM 0 HG22 VAL A 62 7.208 1.104 -4.880 1.00 61.13 H new ATOM 0 HG23 VAL A 62 6.304 1.956 -3.606 1.00 61.13 H new ATOM 1020 N GLU A 63 9.904 2.809 -4.039 1.00 40.13 N ATOM 1021 CA GLU A 63 11.143 2.011 -4.009 1.00 3.13 C ATOM 1022 C GLU A 63 11.086 1.049 -2.826 1.00 43.31 C ATOM 1023 O GLU A 63 10.938 1.467 -1.677 1.00 74.13 O ATOM 1024 CB GLU A 63 12.411 2.914 -3.943 1.00 44.31 C ATOM 1025 CG GLU A 63 12.864 3.455 -5.319 1.00 14.10 C ATOM 1026 CD GLU A 63 14.151 4.302 -5.257 1.00 11.23 C ATOM 1027 OE1 GLU A 63 15.235 3.732 -5.014 1.00 50.32 O ATOM 1028 OE2 GLU A 63 14.082 5.536 -5.456 1.00 35.33 O ATOM 0 H GLU A 63 9.683 3.252 -3.147 1.00 40.13 H new ATOM 0 HA GLU A 63 11.217 1.441 -4.935 1.00 3.13 H new ATOM 0 HB2 GLU A 63 12.212 3.756 -3.280 1.00 44.31 H new ATOM 0 HB3 GLU A 63 13.228 2.345 -3.500 1.00 44.31 H new ATOM 0 HG2 GLU A 63 13.024 2.615 -5.995 1.00 14.10 H new ATOM 0 HG3 GLU A 63 12.062 4.058 -5.744 1.00 14.10 H new ATOM 1035 N VAL A 64 11.220 -0.242 -3.132 1.00 45.24 N ATOM 1036 CA VAL A 64 11.076 -1.340 -2.175 1.00 55.22 C ATOM 1037 C VAL A 64 12.465 -1.777 -1.653 1.00 12.33 C ATOM 1038 O VAL A 64 13.426 -1.873 -2.422 1.00 34.52 O ATOM 1039 CB VAL A 64 10.294 -2.533 -2.857 1.00 62.32 C ATOM 1040 CG1 VAL A 64 10.925 -2.958 -4.207 1.00 62.31 C ATOM 1041 CG2 VAL A 64 10.140 -3.736 -1.907 1.00 13.22 C ATOM 0 H VAL A 64 11.437 -0.561 -4.076 1.00 45.24 H new ATOM 0 HA VAL A 64 10.497 -1.009 -1.313 1.00 55.22 H new ATOM 0 HB VAL A 64 9.294 -2.158 -3.077 1.00 62.32 H new ATOM 0 HG11 VAL A 64 10.351 -3.780 -4.634 1.00 62.31 H new ATOM 0 HG12 VAL A 64 10.915 -2.113 -4.895 1.00 62.31 H new ATOM 0 HG13 VAL A 64 11.953 -3.280 -4.043 1.00 62.31 H new ATOM 0 HG21 VAL A 64 9.597 -4.533 -2.415 1.00 13.22 H new ATOM 0 HG22 VAL A 64 11.126 -4.097 -1.615 1.00 13.22 H new ATOM 0 HG23 VAL A 64 9.588 -3.430 -1.019 1.00 13.22 H new ATOM 1051 N THR A 65 12.564 -1.991 -0.325 1.00 30.22 N ATOM 1052 CA THR A 65 13.820 -2.346 0.367 1.00 42.11 C ATOM 1053 C THR A 65 13.532 -3.431 1.417 1.00 54.44 C ATOM 1054 O THR A 65 12.540 -3.348 2.125 1.00 22.04 O ATOM 1055 CB THR A 65 14.428 -1.068 1.051 1.00 52.04 C ATOM 1056 OG1 THR A 65 14.723 -0.086 0.045 1.00 63.54 O ATOM 1057 CG2 THR A 65 15.707 -1.358 1.859 1.00 51.01 C ATOM 0 H THR A 65 11.764 -1.921 0.304 1.00 30.22 H new ATOM 0 HA THR A 65 14.542 -2.731 -0.353 1.00 42.11 H new ATOM 0 HB THR A 65 13.680 -0.702 1.755 1.00 52.04 H new ATOM 0 HG1 THR A 65 15.101 0.713 0.469 1.00 63.54 H new ATOM 0 HG21 THR A 65 16.074 -0.433 2.304 1.00 51.01 H new ATOM 0 HG22 THR A 65 15.484 -2.077 2.648 1.00 51.01 H new ATOM 0 HG23 THR A 65 16.470 -1.770 1.198 1.00 51.01 H new ATOM 1065 N THR A 66 14.404 -4.441 1.519 1.00 74.41 N ATOM 1066 CA THR A 66 14.238 -5.553 2.472 1.00 41.15 C ATOM 1067 C THR A 66 15.023 -5.300 3.771 1.00 71.41 C ATOM 1068 O THR A 66 15.994 -4.541 3.790 1.00 74.34 O ATOM 1069 CB THR A 66 14.685 -6.901 1.818 1.00 62.42 C ATOM 1070 OG1 THR A 66 15.964 -6.732 1.175 1.00 4.03 O ATOM 1071 CG2 THR A 66 13.654 -7.394 0.796 1.00 42.42 C ATOM 0 H THR A 66 15.244 -4.514 0.946 1.00 74.41 H new ATOM 0 HA THR A 66 13.181 -5.619 2.729 1.00 41.15 H new ATOM 0 HB THR A 66 14.766 -7.649 2.607 1.00 62.42 H new ATOM 0 HG1 THR A 66 16.240 -7.580 0.768 1.00 4.03 H new ATOM 0 HG21 THR A 66 13.995 -8.333 0.360 1.00 42.42 H new ATOM 0 HG22 THR A 66 12.696 -7.551 1.292 1.00 42.42 H new ATOM 0 HG23 THR A 66 13.537 -6.649 0.009 1.00 42.42 H new ATOM 1079 N ASP A 67 14.568 -5.944 4.854 1.00 22.20 N ATOM 1080 CA ASP A 67 15.199 -5.875 6.180 1.00 41.41 C ATOM 1081 C ASP A 67 15.002 -7.240 6.851 1.00 30.00 C ATOM 1082 O ASP A 67 13.936 -7.508 7.417 1.00 5.03 O ATOM 1083 CB ASP A 67 14.561 -4.733 7.015 1.00 4.04 C ATOM 1084 CG ASP A 67 15.234 -4.521 8.384 1.00 75.34 C ATOM 1085 OD1 ASP A 67 16.167 -3.695 8.482 1.00 35.52 O ATOM 1086 OD2 ASP A 67 14.819 -5.156 9.382 1.00 1.23 O ATOM 0 H ASP A 67 13.738 -6.537 4.834 1.00 22.20 H new ATOM 0 HA ASP A 67 16.263 -5.654 6.099 1.00 41.41 H new ATOM 0 HB2 ASP A 67 14.614 -3.805 6.446 1.00 4.04 H new ATOM 0 HB3 ASP A 67 13.505 -4.953 7.169 1.00 4.04 H new ATOM 1091 N GLY A 68 16.019 -8.111 6.733 1.00 12.22 N ATOM 1092 CA GLY A 68 15.914 -9.503 7.165 1.00 14.32 C ATOM 1093 C GLY A 68 14.900 -10.280 6.328 1.00 42.41 C ATOM 1094 O GLY A 68 15.068 -10.405 5.108 1.00 23.02 O ATOM 0 H GLY A 68 16.927 -7.866 6.338 1.00 12.22 H new ATOM 0 HA2 GLY A 68 16.890 -9.982 7.090 1.00 14.32 H new ATOM 0 HA3 GLY A 68 15.622 -9.537 8.215 1.00 14.32 H new ATOM 1098 N ASN A 69 13.826 -10.767 6.974 1.00 1.22 N ATOM 1099 CA ASN A 69 12.728 -11.490 6.286 1.00 42.13 C ATOM 1100 C ASN A 69 11.536 -10.559 5.990 1.00 45.43 C ATOM 1101 O ASN A 69 10.646 -10.917 5.218 1.00 1.33 O ATOM 1102 CB ASN A 69 12.238 -12.683 7.155 1.00 62.24 C ATOM 1103 CG ASN A 69 11.563 -12.247 8.465 1.00 14.33 C ATOM 1104 OD1 ASN A 69 10.354 -12.016 8.511 1.00 3.21 O ATOM 1105 ND2 ASN A 69 12.330 -12.128 9.530 1.00 14.34 N ATOM 0 H ASN A 69 13.690 -10.675 7.981 1.00 1.22 H new ATOM 0 HA ASN A 69 13.125 -11.859 5.340 1.00 42.13 H new ATOM 0 HB2 ASN A 69 11.536 -13.281 6.575 1.00 62.24 H new ATOM 0 HB3 ASN A 69 13.087 -13.326 7.389 1.00 62.24 H new ATOM 0 HD21 ASN A 69 11.925 -11.838 10.420 1.00 14.34 H new ATOM 0 HD22 ASN A 69 13.329 -12.326 9.464 1.00 14.34 H new ATOM 1112 N THR A 70 11.524 -9.364 6.600 1.00 23.35 N ATOM 1113 CA THR A 70 10.394 -8.430 6.507 1.00 10.10 C ATOM 1114 C THR A 70 10.754 -7.257 5.584 1.00 41.35 C ATOM 1115 O THR A 70 11.771 -6.582 5.778 1.00 53.13 O ATOM 1116 CB THR A 70 9.992 -7.925 7.927 1.00 30.21 C ATOM 1117 OG1 THR A 70 9.718 -9.057 8.781 1.00 32.04 O ATOM 1118 CG2 THR A 70 8.758 -7.011 7.884 1.00 30.31 C ATOM 0 H THR A 70 12.296 -9.019 7.170 1.00 23.35 H new ATOM 0 HA THR A 70 9.537 -8.949 6.079 1.00 10.10 H new ATOM 0 HB THR A 70 10.826 -7.344 8.321 1.00 30.21 H new ATOM 0 HG1 THR A 70 9.973 -9.884 8.320 1.00 32.04 H new ATOM 0 HG21 THR A 70 8.513 -6.682 8.894 1.00 30.31 H new ATOM 0 HG22 THR A 70 8.970 -6.142 7.261 1.00 30.31 H new ATOM 0 HG23 THR A 70 7.914 -7.559 7.466 1.00 30.31 H new ATOM 1126 N VAL A 71 9.907 -7.020 4.579 1.00 64.45 N ATOM 1127 CA VAL A 71 10.157 -6.036 3.516 1.00 5.22 C ATOM 1128 C VAL A 71 9.391 -4.723 3.800 1.00 40.44 C ATOM 1129 O VAL A 71 8.242 -4.739 4.224 1.00 60.11 O ATOM 1130 CB VAL A 71 9.787 -6.658 2.117 1.00 20.01 C ATOM 1131 CG1 VAL A 71 8.319 -7.096 2.021 1.00 43.41 C ATOM 1132 CG2 VAL A 71 10.187 -5.725 0.956 1.00 10.33 C ATOM 0 H VAL A 71 9.018 -7.510 4.477 1.00 64.45 H new ATOM 0 HA VAL A 71 11.217 -5.783 3.494 1.00 5.22 H new ATOM 0 HB VAL A 71 10.377 -7.570 2.024 1.00 20.01 H new ATOM 0 HG11 VAL A 71 8.128 -7.516 1.033 1.00 43.41 H new ATOM 0 HG12 VAL A 71 8.114 -7.850 2.781 1.00 43.41 H new ATOM 0 HG13 VAL A 71 7.671 -6.234 2.180 1.00 43.41 H new ATOM 0 HG21 VAL A 71 9.916 -6.188 0.007 1.00 10.33 H new ATOM 0 HG22 VAL A 71 9.665 -4.773 1.058 1.00 10.33 H new ATOM 0 HG23 VAL A 71 11.263 -5.553 0.982 1.00 10.33 H new ATOM 1142 N ASN A 72 10.078 -3.593 3.602 1.00 13.24 N ATOM 1143 CA ASN A 72 9.568 -2.232 3.868 1.00 65.02 C ATOM 1144 C ASN A 72 9.654 -1.408 2.576 1.00 32.14 C ATOM 1145 O ASN A 72 10.756 -1.172 2.063 1.00 3.21 O ATOM 1146 CB ASN A 72 10.425 -1.554 4.973 1.00 5.22 C ATOM 1147 CG ASN A 72 10.415 -2.310 6.302 1.00 2.31 C ATOM 1148 OD1 ASN A 72 9.662 -1.976 7.211 1.00 73.21 O ATOM 1149 ND2 ASN A 72 11.242 -3.348 6.419 1.00 34.41 N ATOM 0 H ASN A 72 11.032 -3.594 3.242 1.00 13.24 H new ATOM 0 HA ASN A 72 8.533 -2.289 4.206 1.00 65.02 H new ATOM 0 HB2 ASN A 72 11.453 -1.466 4.622 1.00 5.22 H new ATOM 0 HB3 ASN A 72 10.057 -0.541 5.137 1.00 5.22 H new ATOM 0 HD21 ASN A 72 11.261 -3.890 7.283 1.00 34.41 H new ATOM 0 HD22 ASN A 72 11.856 -3.601 5.645 1.00 34.41 H new ATOM 1156 N VAL A 73 8.504 -0.985 2.042 1.00 30.42 N ATOM 1157 CA VAL A 73 8.456 -0.174 0.812 1.00 14.33 C ATOM 1158 C VAL A 73 8.458 1.322 1.163 1.00 33.44 C ATOM 1159 O VAL A 73 7.498 1.829 1.755 1.00 10.22 O ATOM 1160 CB VAL A 73 7.203 -0.518 -0.075 1.00 65.30 C ATOM 1161 CG1 VAL A 73 7.215 0.286 -1.400 1.00 11.24 C ATOM 1162 CG2 VAL A 73 7.135 -2.034 -0.347 1.00 41.25 C ATOM 0 H VAL A 73 7.588 -1.190 2.441 1.00 30.42 H new ATOM 0 HA VAL A 73 9.346 -0.413 0.230 1.00 14.33 H new ATOM 0 HB VAL A 73 6.308 -0.228 0.476 1.00 65.30 H new ATOM 0 HG11 VAL A 73 6.337 0.026 -1.991 1.00 11.24 H new ATOM 0 HG12 VAL A 73 7.201 1.353 -1.178 1.00 11.24 H new ATOM 0 HG13 VAL A 73 8.116 0.045 -1.964 1.00 11.24 H new ATOM 0 HG21 VAL A 73 6.262 -2.255 -0.962 1.00 41.25 H new ATOM 0 HG22 VAL A 73 8.037 -2.351 -0.870 1.00 41.25 H new ATOM 0 HG23 VAL A 73 7.057 -2.570 0.599 1.00 41.25 H new ATOM 1172 N THR A 74 9.553 2.009 0.798 1.00 24.02 N ATOM 1173 CA THR A 74 9.704 3.450 0.988 1.00 61.21 C ATOM 1174 C THR A 74 9.112 4.158 -0.242 1.00 30.23 C ATOM 1175 O THR A 74 9.700 4.151 -1.332 1.00 35.02 O ATOM 1176 CB THR A 74 11.211 3.823 1.171 1.00 35.12 C ATOM 1177 OG1 THR A 74 11.764 3.080 2.276 1.00 72.42 O ATOM 1178 CG2 THR A 74 11.426 5.333 1.409 1.00 33.50 C ATOM 0 H THR A 74 10.362 1.570 0.359 1.00 24.02 H new ATOM 0 HA THR A 74 9.177 3.768 1.888 1.00 61.21 H new ATOM 0 HB THR A 74 11.721 3.564 0.243 1.00 35.12 H new ATOM 0 HG1 THR A 74 12.709 3.314 2.387 1.00 72.42 H new ATOM 0 HG21 THR A 74 12.490 5.534 1.529 1.00 33.50 H new ATOM 0 HG22 THR A 74 11.045 5.894 0.556 1.00 33.50 H new ATOM 0 HG23 THR A 74 10.895 5.639 2.310 1.00 33.50 H new ATOM 1186 N VAL A 75 7.930 4.734 -0.056 1.00 71.33 N ATOM 1187 CA VAL A 75 7.155 5.386 -1.115 1.00 51.43 C ATOM 1188 C VAL A 75 6.952 6.870 -0.748 1.00 44.20 C ATOM 1189 O VAL A 75 6.472 7.195 0.338 1.00 60.13 O ATOM 1190 CB VAL A 75 5.784 4.626 -1.331 1.00 42.22 C ATOM 1191 CG1 VAL A 75 4.995 4.498 -0.018 1.00 62.42 C ATOM 1192 CG2 VAL A 75 4.928 5.271 -2.451 1.00 44.41 C ATOM 0 H VAL A 75 7.470 4.764 0.854 1.00 71.33 H new ATOM 0 HA VAL A 75 7.694 5.343 -2.062 1.00 51.43 H new ATOM 0 HB VAL A 75 6.031 3.618 -1.664 1.00 42.22 H new ATOM 0 HG11 VAL A 75 4.060 3.971 -0.206 1.00 62.42 H new ATOM 0 HG12 VAL A 75 5.586 3.941 0.709 1.00 62.42 H new ATOM 0 HG13 VAL A 75 4.779 5.491 0.375 1.00 62.42 H new ATOM 0 HG21 VAL A 75 3.997 4.715 -2.563 1.00 44.41 H new ATOM 0 HG22 VAL A 75 4.704 6.305 -2.188 1.00 44.41 H new ATOM 0 HG23 VAL A 75 5.480 5.247 -3.391 1.00 44.41 H new ATOM 1202 N GLU A 76 7.399 7.759 -1.633 1.00 42.24 N ATOM 1203 CA GLU A 76 7.254 9.206 -1.481 1.00 31.15 C ATOM 1204 C GLU A 76 5.997 9.672 -2.231 1.00 42.43 C ATOM 1205 O GLU A 76 5.771 9.257 -3.376 1.00 70.42 O ATOM 1206 CB GLU A 76 8.519 9.899 -2.041 1.00 31.44 C ATOM 1207 CG GLU A 76 8.513 11.434 -1.929 1.00 62.53 C ATOM 1208 CD GLU A 76 8.420 11.944 -0.477 1.00 74.54 C ATOM 1209 OE1 GLU A 76 9.308 11.607 0.332 1.00 13.25 O ATOM 1210 OE2 GLU A 76 7.482 12.697 -0.145 1.00 34.34 O ATOM 0 H GLU A 76 7.881 7.490 -2.491 1.00 42.24 H new ATOM 0 HA GLU A 76 7.145 9.469 -0.429 1.00 31.15 H new ATOM 0 HB2 GLU A 76 9.392 9.513 -1.514 1.00 31.44 H new ATOM 0 HB3 GLU A 76 8.633 9.625 -3.090 1.00 31.44 H new ATOM 0 HG2 GLU A 76 9.421 11.827 -2.386 1.00 62.53 H new ATOM 0 HG3 GLU A 76 7.672 11.829 -2.499 1.00 62.53 H new ATOM 1217 N LEU A 77 5.168 10.502 -1.574 1.00 33.14 N ATOM 1218 CA LEU A 77 3.919 11.037 -2.159 1.00 53.02 C ATOM 1219 C LEU A 77 3.777 12.529 -1.810 1.00 21.40 C ATOM 1220 O LEU A 77 4.328 12.993 -0.814 1.00 42.24 O ATOM 1221 CB LEU A 77 2.639 10.275 -1.659 1.00 10.33 C ATOM 1222 CG LEU A 77 2.636 8.704 -1.792 1.00 71.51 C ATOM 1223 CD1 LEU A 77 3.311 8.019 -0.590 1.00 25.43 C ATOM 1224 CD2 LEU A 77 1.216 8.156 -2.005 1.00 54.10 C ATOM 0 H LEU A 77 5.342 10.823 -0.622 1.00 33.14 H new ATOM 0 HA LEU A 77 3.991 10.896 -3.237 1.00 53.02 H new ATOM 0 HB2 LEU A 77 2.486 10.525 -0.609 1.00 10.33 H new ATOM 0 HB3 LEU A 77 1.780 10.662 -2.207 1.00 10.33 H new ATOM 0 HG LEU A 77 3.225 8.466 -2.678 1.00 71.51 H new ATOM 0 HD11 LEU A 77 3.285 6.938 -0.726 1.00 25.43 H new ATOM 0 HD12 LEU A 77 4.347 8.351 -0.516 1.00 25.43 H new ATOM 0 HD13 LEU A 77 2.780 8.283 0.325 1.00 25.43 H new ATOM 0 HD21 LEU A 77 1.254 7.070 -2.092 1.00 54.10 H new ATOM 0 HD22 LEU A 77 0.589 8.430 -1.156 1.00 54.10 H new ATOM 0 HD23 LEU A 77 0.796 8.579 -2.918 1.00 54.10 H new ATOM 1236 N GLU A 78 3.034 13.271 -2.645 1.00 35.24 N ATOM 1237 CA GLU A 78 2.648 14.666 -2.356 1.00 71.21 C ATOM 1238 C GLU A 78 1.139 14.727 -2.074 1.00 60.55 C ATOM 1239 O GLU A 78 0.323 14.642 -2.998 1.00 13.22 O ATOM 1240 CB GLU A 78 3.033 15.611 -3.529 1.00 11.23 C ATOM 1241 CG GLU A 78 4.543 15.867 -3.655 1.00 44.15 C ATOM 1242 CD GLU A 78 4.917 16.898 -4.745 1.00 62.01 C ATOM 1243 OE1 GLU A 78 5.488 17.960 -4.421 1.00 72.23 O ATOM 1244 OE2 GLU A 78 4.642 16.645 -5.937 1.00 35.10 O ATOM 0 H GLU A 78 2.683 12.925 -3.538 1.00 35.24 H new ATOM 0 HA GLU A 78 3.191 15.008 -1.475 1.00 71.21 H new ATOM 0 HB2 GLU A 78 2.668 15.182 -4.462 1.00 11.23 H new ATOM 0 HB3 GLU A 78 2.523 16.565 -3.396 1.00 11.23 H new ATOM 0 HG2 GLU A 78 4.924 16.215 -2.695 1.00 44.15 H new ATOM 0 HG3 GLU A 78 5.044 14.924 -3.874 1.00 44.15 H new ATOM 1251 N GLU A 79 0.781 14.870 -0.784 1.00 43.33 N ATOM 1252 CA GLU A 79 -0.618 14.918 -0.328 1.00 63.21 C ATOM 1253 C GLU A 79 -1.153 16.359 -0.406 1.00 10.40 C ATOM 1254 O GLU A 79 -0.767 17.221 0.395 1.00 1.24 O ATOM 1255 CB GLU A 79 -0.738 14.383 1.123 1.00 31.40 C ATOM 1256 CG GLU A 79 -0.184 12.960 1.335 1.00 34.30 C ATOM 1257 CD GLU A 79 -0.466 12.434 2.748 1.00 3.54 C ATOM 1258 OE1 GLU A 79 -1.542 11.827 2.961 1.00 23.13 O ATOM 1259 OE2 GLU A 79 0.366 12.647 3.656 1.00 24.33 O ATOM 0 H GLU A 79 1.459 14.956 -0.026 1.00 43.33 H new ATOM 0 HA GLU A 79 -1.215 14.283 -0.982 1.00 63.21 H new ATOM 0 HB2 GLU A 79 -0.213 15.065 1.792 1.00 31.40 H new ATOM 0 HB3 GLU A 79 -1.788 14.396 1.414 1.00 31.40 H new ATOM 0 HG2 GLU A 79 -0.628 12.286 0.603 1.00 34.30 H new ATOM 0 HG3 GLU A 79 0.891 12.960 1.157 1.00 34.30 H new ATOM 1266 N THR A 80 -2.021 16.609 -1.396 1.00 55.12 N ATOM 1267 CA THR A 80 -2.729 17.878 -1.550 1.00 44.23 C ATOM 1268 C THR A 80 -4.023 17.799 -0.727 1.00 24.31 C ATOM 1269 O THR A 80 -4.983 17.125 -1.117 1.00 1.12 O ATOM 1270 CB THR A 80 -3.060 18.157 -3.057 1.00 15.00 C ATOM 1271 OG1 THR A 80 -1.864 18.022 -3.848 1.00 15.25 O ATOM 1272 CG2 THR A 80 -3.664 19.558 -3.276 1.00 63.21 C ATOM 0 H THR A 80 -2.251 15.926 -2.118 1.00 55.12 H new ATOM 0 HA THR A 80 -2.101 18.696 -1.197 1.00 44.23 H new ATOM 0 HB THR A 80 -3.806 17.425 -3.367 1.00 15.00 H new ATOM 0 HG1 THR A 80 -2.073 18.195 -4.790 1.00 15.25 H new ATOM 0 HG21 THR A 80 -3.875 19.702 -4.336 1.00 63.21 H new ATOM 0 HG22 THR A 80 -4.589 19.649 -2.706 1.00 63.21 H new ATOM 0 HG23 THR A 80 -2.956 20.316 -2.941 1.00 63.21 H new ATOM 1280 N THR A 81 -4.007 18.449 0.439 1.00 24.50 N ATOM 1281 CA THR A 81 -5.111 18.433 1.406 1.00 23.34 C ATOM 1282 C THR A 81 -5.175 19.783 2.132 1.00 13.23 C ATOM 1283 O THR A 81 -4.137 20.347 2.516 1.00 13.35 O ATOM 1284 CB THR A 81 -4.967 17.247 2.420 1.00 42.04 C ATOM 1285 OG1 THR A 81 -5.991 17.327 3.423 1.00 52.24 O ATOM 1286 CG2 THR A 81 -3.574 17.177 3.083 1.00 25.32 C ATOM 0 H THR A 81 -3.213 19.012 0.745 1.00 24.50 H new ATOM 0 HA THR A 81 -6.046 18.277 0.868 1.00 23.34 H new ATOM 0 HB THR A 81 -5.083 16.329 1.844 1.00 42.04 H new ATOM 0 HG1 THR A 81 -5.723 16.803 4.207 1.00 52.24 H new ATOM 0 HG21 THR A 81 -3.542 16.334 3.773 1.00 25.32 H new ATOM 0 HG22 THR A 81 -2.812 17.047 2.315 1.00 25.32 H new ATOM 0 HG23 THR A 81 -3.384 18.101 3.629 1.00 25.32 H new ATOM 1294 N GLY A 82 -6.405 20.311 2.277 1.00 73.00 N ATOM 1295 CA GLY A 82 -6.635 21.660 2.806 1.00 42.54 C ATOM 1296 C GLY A 82 -6.105 22.757 1.884 1.00 21.32 C ATOM 1297 O GLY A 82 -5.834 23.878 2.333 1.00 51.23 O ATOM 0 H GLY A 82 -7.261 19.814 2.031 1.00 73.00 H new ATOM 0 HA2 GLY A 82 -7.704 21.807 2.961 1.00 42.54 H new ATOM 0 HA3 GLY A 82 -6.157 21.749 3.781 1.00 42.54 H new ATOM 1301 N GLY A 83 -5.954 22.416 0.582 1.00 31.24 N ATOM 1302 CA GLY A 83 -5.387 23.323 -0.421 1.00 20.05 C ATOM 1303 C GLY A 83 -3.869 23.490 -0.322 1.00 64.01 C ATOM 1304 O GLY A 83 -3.311 24.428 -0.907 1.00 72.50 O ATOM 0 H GLY A 83 -6.223 21.506 0.208 1.00 31.24 H new ATOM 0 HA2 GLY A 83 -5.637 22.951 -1.415 1.00 20.05 H new ATOM 0 HA3 GLY A 83 -5.857 24.301 -0.319 1.00 20.05 H new ATOM 1308 N THR A 84 -3.200 22.585 0.420 1.00 45.14 N ATOM 1309 CA THR A 84 -1.732 22.600 0.592 1.00 13.02 C ATOM 1310 C THR A 84 -1.119 21.226 0.234 1.00 4.11 C ATOM 1311 O THR A 84 -1.511 20.195 0.795 1.00 64.52 O ATOM 1312 CB THR A 84 -1.337 23.026 2.055 1.00 73.30 C ATOM 1313 OG1 THR A 84 -2.130 22.299 3.007 1.00 44.42 O ATOM 1314 CG2 THR A 84 -1.517 24.541 2.296 1.00 72.30 C ATOM 0 H THR A 84 -3.661 21.823 0.917 1.00 45.14 H new ATOM 0 HA THR A 84 -1.324 23.341 -0.095 1.00 13.02 H new ATOM 0 HB THR A 84 -0.280 22.791 2.182 1.00 73.30 H new ATOM 0 HG1 THR A 84 -2.622 21.587 2.547 1.00 44.42 H new ATOM 0 HG21 THR A 84 -1.231 24.783 3.320 1.00 72.30 H new ATOM 0 HG22 THR A 84 -0.887 25.097 1.602 1.00 72.30 H new ATOM 0 HG23 THR A 84 -2.560 24.813 2.137 1.00 72.30 H new ATOM 1322 N THR A 85 -0.168 21.235 -0.719 1.00 62.45 N ATOM 1323 CA THR A 85 0.570 20.040 -1.168 1.00 74.01 C ATOM 1324 C THR A 85 1.819 19.829 -0.287 1.00 22.23 C ATOM 1325 O THR A 85 2.733 20.664 -0.281 1.00 65.31 O ATOM 1326 CB THR A 85 0.976 20.216 -2.667 1.00 63.45 C ATOM 1327 OG1 THR A 85 -0.197 20.500 -3.445 1.00 50.44 O ATOM 1328 CG2 THR A 85 1.679 18.980 -3.250 1.00 4.30 C ATOM 0 H THR A 85 0.113 22.086 -1.206 1.00 62.45 H new ATOM 0 HA THR A 85 -0.066 19.160 -1.074 1.00 74.01 H new ATOM 0 HB THR A 85 1.687 21.041 -2.711 1.00 63.45 H new ATOM 0 HG1 THR A 85 -0.711 19.676 -3.575 1.00 50.44 H new ATOM 0 HG21 THR A 85 1.935 19.165 -4.293 1.00 4.30 H new ATOM 0 HG22 THR A 85 2.588 18.777 -2.684 1.00 4.30 H new ATOM 0 HG23 THR A 85 1.013 18.119 -3.187 1.00 4.30 H new ATOM 1336 N THR A 86 1.837 18.717 0.462 1.00 72.11 N ATOM 1337 CA THR A 86 2.901 18.392 1.432 1.00 41.01 C ATOM 1338 C THR A 86 3.595 17.078 1.036 1.00 5.21 C ATOM 1339 O THR A 86 2.924 16.091 0.722 1.00 72.23 O ATOM 1340 CB THR A 86 2.296 18.253 2.868 1.00 11.33 C ATOM 1341 OG1 THR A 86 1.516 19.425 3.173 1.00 23.11 O ATOM 1342 CG2 THR A 86 3.384 18.071 3.947 1.00 52.21 C ATOM 0 H THR A 86 1.106 18.007 0.413 1.00 72.11 H new ATOM 0 HA THR A 86 3.634 19.199 1.428 1.00 41.01 H new ATOM 0 HB THR A 86 1.670 17.361 2.876 1.00 11.33 H new ATOM 0 HG1 THR A 86 1.135 19.339 4.072 1.00 23.11 H new ATOM 0 HG21 THR A 86 2.914 17.979 4.926 1.00 52.21 H new ATOM 0 HG22 THR A 86 3.960 17.170 3.735 1.00 52.21 H new ATOM 0 HG23 THR A 86 4.048 18.935 3.943 1.00 52.21 H new ATOM 1350 N ASN A 87 4.935 17.081 1.060 1.00 45.04 N ATOM 1351 CA ASN A 87 5.752 15.891 0.765 1.00 23.20 C ATOM 1352 C ASN A 87 5.779 14.979 2.011 1.00 54.42 C ATOM 1353 O ASN A 87 6.135 15.440 3.107 1.00 14.24 O ATOM 1354 CB ASN A 87 7.192 16.312 0.380 1.00 41.45 C ATOM 1355 CG ASN A 87 7.237 17.371 -0.723 1.00 21.24 C ATOM 1356 OD1 ASN A 87 7.268 18.575 -0.444 1.00 43.23 O ATOM 1357 ND2 ASN A 87 7.214 16.942 -1.976 1.00 5.52 N ATOM 0 H ASN A 87 5.486 17.909 1.285 1.00 45.04 H new ATOM 0 HA ASN A 87 5.317 15.349 -0.075 1.00 23.20 H new ATOM 0 HB2 ASN A 87 7.700 16.697 1.265 1.00 41.45 H new ATOM 0 HB3 ASN A 87 7.745 15.432 0.052 1.00 41.45 H new ATOM 0 HD21 ASN A 87 7.222 17.612 -2.745 1.00 5.52 H new ATOM 0 HD22 ASN A 87 7.189 15.941 -2.172 1.00 5.52 H new ATOM 1364 N THR A 88 5.398 13.705 1.835 1.00 41.13 N ATOM 1365 CA THR A 88 5.260 12.735 2.934 1.00 64.01 C ATOM 1366 C THR A 88 5.743 11.347 2.482 1.00 4.42 C ATOM 1367 O THR A 88 5.271 10.815 1.470 1.00 15.31 O ATOM 1368 CB THR A 88 3.776 12.624 3.414 1.00 32.54 C ATOM 1369 OG1 THR A 88 3.270 13.919 3.770 1.00 53.22 O ATOM 1370 CG2 THR A 88 3.627 11.679 4.618 1.00 23.23 C ATOM 0 H THR A 88 5.175 13.315 0.919 1.00 41.13 H new ATOM 0 HA THR A 88 5.872 13.091 3.763 1.00 64.01 H new ATOM 0 HB THR A 88 3.203 12.212 2.583 1.00 32.54 H new ATOM 0 HG1 THR A 88 2.292 13.884 3.827 1.00 53.22 H new ATOM 0 HG21 THR A 88 2.580 11.633 4.917 1.00 23.23 H new ATOM 0 HG22 THR A 88 3.970 10.682 4.342 1.00 23.23 H new ATOM 0 HG23 THR A 88 4.225 12.052 5.449 1.00 23.23 H new ATOM 1378 N THR A 89 6.689 10.773 3.240 1.00 62.43 N ATOM 1379 CA THR A 89 7.171 9.414 3.009 1.00 40.15 C ATOM 1380 C THR A 89 6.330 8.420 3.830 1.00 65.34 C ATOM 1381 O THR A 89 6.110 8.628 5.025 1.00 11.12 O ATOM 1382 CB THR A 89 8.675 9.275 3.414 1.00 33.50 C ATOM 1383 OG1 THR A 89 9.427 10.404 2.933 1.00 41.20 O ATOM 1384 CG2 THR A 89 9.294 7.979 2.849 1.00 22.01 C ATOM 0 H THR A 89 7.137 11.241 4.028 1.00 62.43 H new ATOM 0 HA THR A 89 7.076 9.195 1.946 1.00 40.15 H new ATOM 0 HB THR A 89 8.718 9.237 4.502 1.00 33.50 H new ATOM 0 HG1 THR A 89 9.179 10.590 2.003 1.00 41.20 H new ATOM 0 HG21 THR A 89 10.340 7.914 3.149 1.00 22.01 H new ATOM 0 HG22 THR A 89 8.751 7.117 3.237 1.00 22.01 H new ATOM 0 HG23 THR A 89 9.229 7.989 1.761 1.00 22.01 H new ATOM 1392 N TYR A 90 5.837 7.368 3.182 1.00 24.41 N ATOM 1393 CA TYR A 90 5.213 6.219 3.854 1.00 42.41 C ATOM 1394 C TYR A 90 6.143 5.004 3.742 1.00 5.52 C ATOM 1395 O TYR A 90 6.868 4.861 2.754 1.00 12.13 O ATOM 1396 CB TYR A 90 3.829 5.900 3.232 1.00 22.50 C ATOM 1397 CG TYR A 90 2.726 6.910 3.575 1.00 12.12 C ATOM 1398 CD1 TYR A 90 2.613 8.122 2.893 1.00 22.31 C ATOM 1399 CD2 TYR A 90 1.807 6.643 4.585 1.00 3.25 C ATOM 1400 CE1 TYR A 90 1.618 9.023 3.202 1.00 1.25 C ATOM 1401 CE2 TYR A 90 0.810 7.539 4.898 1.00 44.32 C ATOM 1402 CZ TYR A 90 0.724 8.732 4.209 1.00 35.12 C ATOM 1403 OH TYR A 90 -0.265 9.630 4.530 1.00 52.21 O ATOM 0 H TYR A 90 5.857 7.283 2.166 1.00 24.41 H new ATOM 0 HA TYR A 90 5.057 6.463 4.905 1.00 42.41 H new ATOM 0 HB2 TYR A 90 3.935 5.852 2.148 1.00 22.50 H new ATOM 0 HB3 TYR A 90 3.515 4.911 3.566 1.00 22.50 H new ATOM 0 HD1 TYR A 90 3.318 8.358 2.109 1.00 22.31 H new ATOM 0 HD2 TYR A 90 1.877 5.715 5.134 1.00 3.25 H new ATOM 0 HE1 TYR A 90 1.539 9.953 2.658 1.00 1.25 H new ATOM 0 HE2 TYR A 90 0.099 7.310 5.678 1.00 44.32 H new ATOM 0 HH TYR A 90 -0.241 9.813 5.492 1.00 52.21 H new ATOM 1413 N GLU A 91 6.132 4.149 4.773 1.00 14.23 N ATOM 1414 CA GLU A 91 6.907 2.897 4.799 1.00 14.13 C ATOM 1415 C GLU A 91 5.950 1.752 5.161 1.00 4.15 C ATOM 1416 O GLU A 91 5.549 1.603 6.320 1.00 40.05 O ATOM 1417 CB GLU A 91 8.067 3.011 5.824 1.00 61.22 C ATOM 1418 CG GLU A 91 9.084 4.129 5.504 1.00 22.31 C ATOM 1419 CD GLU A 91 10.120 4.321 6.615 1.00 21.35 C ATOM 1420 OE1 GLU A 91 11.186 3.668 6.577 1.00 12.21 O ATOM 1421 OE2 GLU A 91 9.860 5.121 7.546 1.00 72.11 O ATOM 0 H GLU A 91 5.583 4.305 5.618 1.00 14.23 H new ATOM 0 HA GLU A 91 7.353 2.700 3.824 1.00 14.13 H new ATOM 0 HB2 GLU A 91 7.647 3.189 6.814 1.00 61.22 H new ATOM 0 HB3 GLU A 91 8.593 2.058 5.868 1.00 61.22 H new ATOM 0 HG2 GLU A 91 9.597 3.892 4.572 1.00 22.31 H new ATOM 0 HG3 GLU A 91 8.550 5.066 5.345 1.00 22.31 H new ATOM 1428 N LEU A 92 5.572 0.966 4.145 1.00 24.12 N ATOM 1429 CA LEU A 92 4.601 -0.125 4.289 1.00 51.45 C ATOM 1430 C LEU A 92 5.377 -1.410 4.577 1.00 63.14 C ATOM 1431 O LEU A 92 6.081 -1.935 3.705 1.00 70.31 O ATOM 1432 CB LEU A 92 3.702 -0.264 3.019 1.00 22.23 C ATOM 1433 CG LEU A 92 2.716 0.926 2.737 1.00 43.00 C ATOM 1434 CD1 LEU A 92 3.458 2.206 2.324 1.00 44.30 C ATOM 1435 CD2 LEU A 92 1.653 0.541 1.691 1.00 41.10 C ATOM 0 H LEU A 92 5.933 1.070 3.197 1.00 24.12 H new ATOM 0 HA LEU A 92 3.922 0.088 5.115 1.00 51.45 H new ATOM 0 HB2 LEU A 92 4.350 -0.385 2.151 1.00 22.23 H new ATOM 0 HB3 LEU A 92 3.118 -1.179 3.111 1.00 22.23 H new ATOM 0 HG LEU A 92 2.203 1.139 3.675 1.00 43.00 H new ATOM 0 HD11 LEU A 92 2.736 3.002 2.139 1.00 44.30 H new ATOM 0 HD12 LEU A 92 4.135 2.508 3.123 1.00 44.30 H new ATOM 0 HD13 LEU A 92 4.031 2.018 1.416 1.00 44.30 H new ATOM 0 HD21 LEU A 92 0.988 1.387 1.520 1.00 41.10 H new ATOM 0 HD22 LEU A 92 2.144 0.270 0.756 1.00 41.10 H new ATOM 0 HD23 LEU A 92 1.074 -0.308 2.056 1.00 41.10 H new ATOM 1447 N ARG A 93 5.271 -1.878 5.823 1.00 30.41 N ATOM 1448 CA ARG A 93 6.030 -3.018 6.322 1.00 72.30 C ATOM 1449 C ARG A 93 5.230 -4.305 6.082 1.00 75.30 C ATOM 1450 O ARG A 93 4.285 -4.617 6.821 1.00 54.54 O ATOM 1451 CB ARG A 93 6.329 -2.819 7.840 1.00 2.22 C ATOM 1452 CG ARG A 93 7.363 -3.812 8.407 1.00 70.21 C ATOM 1453 CD ARG A 93 7.639 -3.618 9.912 1.00 65.13 C ATOM 1454 NE ARG A 93 8.851 -4.344 10.350 1.00 21.53 N ATOM 1455 CZ ARG A 93 8.881 -5.434 11.140 1.00 53.35 C ATOM 1456 NH1 ARG A 93 7.760 -5.983 11.604 1.00 62.32 N ATOM 1457 NH2 ARG A 93 10.050 -5.972 11.460 1.00 65.33 N ATOM 0 H ARG A 93 4.647 -1.468 6.519 1.00 30.41 H new ATOM 0 HA ARG A 93 6.979 -3.097 5.792 1.00 72.30 H new ATOM 0 HB2 ARG A 93 6.690 -1.803 7.999 1.00 2.22 H new ATOM 0 HB3 ARG A 93 5.399 -2.918 8.400 1.00 2.22 H new ATOM 0 HG2 ARG A 93 7.009 -4.829 8.238 1.00 70.21 H new ATOM 0 HG3 ARG A 93 8.298 -3.705 7.857 1.00 70.21 H new ATOM 0 HD2 ARG A 93 7.756 -2.555 10.125 1.00 65.13 H new ATOM 0 HD3 ARG A 93 6.780 -3.966 10.486 1.00 65.13 H new ATOM 0 HE ARG A 93 9.748 -3.985 10.023 1.00 21.53 H new ATOM 0 HH11 ARG A 93 6.856 -5.578 11.362 1.00 62.32 H new ATOM 0 HH12 ARG A 93 7.806 -6.809 12.201 1.00 62.32 H new ATOM 0 HH21 ARG A 93 10.914 -5.560 11.108 1.00 65.33 H new ATOM 0 HH22 ARG A 93 10.085 -6.798 12.058 1.00 65.33 H new ATOM 1471 N PHE A 94 5.595 -5.020 5.015 1.00 21.13 N ATOM 1472 CA PHE A 94 4.983 -6.291 4.654 1.00 62.23 C ATOM 1473 C PHE A 94 5.744 -7.427 5.350 1.00 22.41 C ATOM 1474 O PHE A 94 6.906 -7.701 5.024 1.00 33.24 O ATOM 1475 CB PHE A 94 5.002 -6.463 3.117 1.00 31.31 C ATOM 1476 CG PHE A 94 4.214 -5.395 2.379 1.00 33.21 C ATOM 1477 CD1 PHE A 94 4.857 -4.298 1.814 1.00 55.40 C ATOM 1478 CD2 PHE A 94 2.827 -5.476 2.281 1.00 24.31 C ATOM 1479 CE1 PHE A 94 4.134 -3.315 1.172 1.00 5.11 C ATOM 1480 CE2 PHE A 94 2.108 -4.494 1.632 1.00 11.40 C ATOM 1481 CZ PHE A 94 2.761 -3.412 1.080 1.00 32.51 C ATOM 0 H PHE A 94 6.332 -4.726 4.374 1.00 21.13 H new ATOM 0 HA PHE A 94 3.944 -6.315 4.981 1.00 62.23 H new ATOM 0 HB2 PHE A 94 6.035 -6.446 2.770 1.00 31.31 H new ATOM 0 HB3 PHE A 94 4.597 -7.443 2.864 1.00 31.31 H new ATOM 0 HD1 PHE A 94 5.932 -4.216 1.879 1.00 55.40 H new ATOM 0 HD2 PHE A 94 2.309 -6.317 2.718 1.00 24.31 H new ATOM 0 HE1 PHE A 94 4.644 -2.467 0.740 1.00 5.11 H new ATOM 0 HE2 PHE A 94 1.034 -4.572 1.556 1.00 11.40 H new ATOM 0 HZ PHE A 94 2.198 -2.641 0.576 1.00 32.51 H new ATOM 1491 N GLU A 95 5.083 -8.062 6.334 1.00 13.30 N ATOM 1492 CA GLU A 95 5.659 -9.184 7.085 1.00 25.31 C ATOM 1493 C GLU A 95 5.250 -10.484 6.386 1.00 10.12 C ATOM 1494 O GLU A 95 4.056 -10.705 6.117 1.00 72.20 O ATOM 1495 CB GLU A 95 5.168 -9.197 8.556 1.00 44.44 C ATOM 1496 CG GLU A 95 5.866 -10.244 9.453 1.00 25.23 C ATOM 1497 CD GLU A 95 5.161 -10.437 10.800 1.00 2.33 C ATOM 1498 OE1 GLU A 95 4.407 -11.424 10.950 1.00 55.32 O ATOM 1499 OE2 GLU A 95 5.349 -9.601 11.712 1.00 24.21 O ATOM 0 H GLU A 95 4.139 -7.811 6.628 1.00 13.30 H new ATOM 0 HA GLU A 95 6.744 -9.081 7.107 1.00 25.31 H new ATOM 0 HB2 GLU A 95 5.322 -8.207 8.986 1.00 44.44 H new ATOM 0 HB3 GLU A 95 4.094 -9.386 8.566 1.00 44.44 H new ATOM 0 HG2 GLU A 95 5.904 -11.198 8.928 1.00 25.23 H new ATOM 0 HG3 GLU A 95 6.897 -9.936 9.628 1.00 25.23 H new ATOM 1506 N VAL A 96 6.239 -11.331 6.087 1.00 33.54 N ATOM 1507 CA VAL A 96 6.024 -12.577 5.346 1.00 2.22 C ATOM 1508 C VAL A 96 5.600 -13.717 6.294 1.00 72.44 C ATOM 1509 O VAL A 96 6.042 -13.791 7.447 1.00 70.41 O ATOM 1510 CB VAL A 96 7.308 -12.984 4.523 1.00 73.20 C ATOM 1511 CG1 VAL A 96 7.709 -11.838 3.573 1.00 31.55 C ATOM 1512 CG2 VAL A 96 8.494 -13.388 5.438 1.00 44.04 C ATOM 0 H VAL A 96 7.211 -11.172 6.352 1.00 33.54 H new ATOM 0 HA VAL A 96 5.214 -12.403 4.638 1.00 2.22 H new ATOM 0 HB VAL A 96 7.057 -13.866 3.934 1.00 73.20 H new ATOM 0 HG11 VAL A 96 8.596 -12.127 3.009 1.00 31.55 H new ATOM 0 HG12 VAL A 96 6.890 -11.634 2.883 1.00 31.55 H new ATOM 0 HG13 VAL A 96 7.925 -10.942 4.155 1.00 31.55 H new ATOM 0 HG21 VAL A 96 9.352 -13.659 4.823 1.00 44.04 H new ATOM 0 HG22 VAL A 96 8.759 -12.549 6.082 1.00 44.04 H new ATOM 0 HG23 VAL A 96 8.205 -14.240 6.053 1.00 44.04 H new ATOM 1522 N ASP A 97 4.691 -14.555 5.802 1.00 61.11 N ATOM 1523 CA ASP A 97 4.293 -15.814 6.436 1.00 72.44 C ATOM 1524 C ASP A 97 4.580 -16.953 5.446 1.00 42.43 C ATOM 1525 O ASP A 97 3.806 -17.173 4.502 1.00 65.41 O ATOM 1526 CB ASP A 97 2.791 -15.770 6.818 1.00 65.42 C ATOM 1527 CG ASP A 97 2.316 -17.062 7.510 1.00 64.52 C ATOM 1528 OD1 ASP A 97 2.490 -17.185 8.740 1.00 21.42 O ATOM 1529 OD2 ASP A 97 1.774 -17.962 6.832 1.00 61.11 O ATOM 0 H ASP A 97 4.196 -14.375 4.928 1.00 61.11 H new ATOM 0 HA ASP A 97 4.857 -15.976 7.355 1.00 72.44 H new ATOM 0 HB2 ASP A 97 2.613 -14.922 7.479 1.00 65.42 H new ATOM 0 HB3 ASP A 97 2.196 -15.604 5.920 1.00 65.42 H new ATOM 1534 N GLY A 98 5.738 -17.607 5.631 1.00 3.23 N ATOM 1535 CA GLY A 98 6.160 -18.732 4.807 1.00 63.02 C ATOM 1536 C GLY A 98 6.461 -18.341 3.362 1.00 33.42 C ATOM 1537 O GLY A 98 7.457 -17.666 3.084 1.00 55.01 O ATOM 0 H GLY A 98 6.406 -17.362 6.362 1.00 3.23 H new ATOM 0 HA2 GLY A 98 7.049 -19.183 5.247 1.00 63.02 H new ATOM 0 HA3 GLY A 98 5.380 -19.493 4.815 1.00 63.02 H new ATOM 1541 N ASP A 99 5.553 -18.737 2.459 1.00 42.43 N ATOM 1542 CA ASP A 99 5.724 -18.597 0.996 1.00 2.13 C ATOM 1543 C ASP A 99 5.116 -17.275 0.463 1.00 52.34 C ATOM 1544 O ASP A 99 5.496 -16.794 -0.609 1.00 53.43 O ATOM 1545 CB ASP A 99 5.070 -19.839 0.322 1.00 41.00 C ATOM 1546 CG ASP A 99 5.288 -19.915 -1.200 1.00 3.13 C ATOM 1547 OD1 ASP A 99 6.442 -20.151 -1.629 1.00 71.41 O ATOM 1548 OD2 ASP A 99 4.311 -19.785 -1.975 1.00 30.41 O ATOM 0 H ASP A 99 4.667 -19.169 2.721 1.00 42.43 H new ATOM 0 HA ASP A 99 6.786 -18.552 0.753 1.00 2.13 H new ATOM 0 HB2 ASP A 99 5.472 -20.742 0.781 1.00 41.00 H new ATOM 0 HB3 ASP A 99 3.999 -19.827 0.525 1.00 41.00 H new ATOM 1553 N THR A 100 4.218 -16.669 1.250 1.00 51.05 N ATOM 1554 CA THR A 100 3.455 -15.463 0.849 1.00 22.35 C ATOM 1555 C THR A 100 3.493 -14.401 1.965 1.00 0.34 C ATOM 1556 O THR A 100 3.926 -14.687 3.080 1.00 74.12 O ATOM 1557 CB THR A 100 1.969 -15.833 0.513 1.00 71.12 C ATOM 1558 OG1 THR A 100 1.252 -14.675 0.048 1.00 43.32 O ATOM 1559 CG2 THR A 100 1.237 -16.436 1.724 1.00 42.32 C ATOM 0 H THR A 100 3.994 -16.997 2.189 1.00 51.05 H new ATOM 0 HA THR A 100 3.923 -15.050 -0.045 1.00 22.35 H new ATOM 0 HB THR A 100 1.999 -16.586 -0.275 1.00 71.12 H new ATOM 0 HG1 THR A 100 0.327 -14.924 -0.159 1.00 43.32 H new ATOM 0 HG21 THR A 100 0.211 -16.677 1.446 1.00 42.32 H new ATOM 0 HG22 THR A 100 1.749 -17.343 2.044 1.00 42.32 H new ATOM 0 HG23 THR A 100 1.231 -15.715 2.542 1.00 42.32 H new ATOM 1567 N ILE A 101 3.058 -13.170 1.640 1.00 14.45 N ATOM 1568 CA ILE A 101 2.919 -12.074 2.620 1.00 5.35 C ATOM 1569 C ILE A 101 1.475 -12.090 3.181 1.00 31.51 C ATOM 1570 O ILE A 101 0.521 -12.244 2.419 1.00 1.23 O ATOM 1571 CB ILE A 101 3.209 -10.673 1.957 1.00 30.33 C ATOM 1572 CG1 ILE A 101 4.582 -10.680 1.204 1.00 0.22 C ATOM 1573 CG2 ILE A 101 3.159 -9.546 3.015 1.00 52.33 C ATOM 1574 CD1 ILE A 101 4.898 -9.408 0.422 1.00 24.32 C ATOM 0 H ILE A 101 2.793 -12.906 0.691 1.00 14.45 H new ATOM 0 HA ILE A 101 3.644 -12.225 3.420 1.00 5.35 H new ATOM 0 HB ILE A 101 2.429 -10.479 1.221 1.00 30.33 H new ATOM 0 HG12 ILE A 101 5.377 -10.848 1.931 1.00 0.22 H new ATOM 0 HG13 ILE A 101 4.597 -11.525 0.515 1.00 0.22 H new ATOM 0 HG21 ILE A 101 3.362 -8.588 2.536 1.00 52.33 H new ATOM 0 HG22 ILE A 101 2.170 -9.521 3.473 1.00 52.33 H new ATOM 0 HG23 ILE A 101 3.910 -9.734 3.783 1.00 52.33 H new ATOM 0 HD11 ILE A 101 5.869 -9.511 -0.063 1.00 24.32 H new ATOM 0 HD12 ILE A 101 4.130 -9.245 -0.334 1.00 24.32 H new ATOM 0 HD13 ILE A 101 4.922 -8.558 1.104 1.00 24.32 H new ATOM 1586 N ARG A 102 1.315 -11.937 4.510 1.00 43.02 N ATOM 1587 CA ARG A 102 -0.019 -11.957 5.173 1.00 33.01 C ATOM 1588 C ARG A 102 -0.217 -10.741 6.099 1.00 51.03 C ATOM 1589 O ARG A 102 -1.230 -10.657 6.810 1.00 30.02 O ATOM 1590 CB ARG A 102 -0.217 -13.293 5.962 1.00 14.14 C ATOM 1591 CG ARG A 102 -0.348 -14.558 5.075 1.00 74.10 C ATOM 1592 CD ARG A 102 -1.561 -14.491 4.131 1.00 61.52 C ATOM 1593 NE ARG A 102 -1.715 -15.697 3.297 1.00 4.34 N ATOM 1594 CZ ARG A 102 -2.154 -15.707 2.026 1.00 71.54 C ATOM 1595 NH1 ARG A 102 -2.485 -14.580 1.406 1.00 50.23 N ATOM 1596 NH2 ARG A 102 -2.250 -16.857 1.376 1.00 43.31 N ATOM 0 H ARG A 102 2.093 -11.797 5.155 1.00 43.02 H new ATOM 0 HA ARG A 102 -0.777 -11.896 4.392 1.00 33.01 H new ATOM 0 HB2 ARG A 102 0.626 -13.427 6.639 1.00 14.14 H new ATOM 0 HB3 ARG A 102 -1.111 -13.205 6.579 1.00 14.14 H new ATOM 0 HG2 ARG A 102 0.561 -14.681 4.486 1.00 74.10 H new ATOM 0 HG3 ARG A 102 -0.436 -15.438 5.713 1.00 74.10 H new ATOM 0 HD2 ARG A 102 -2.466 -14.348 4.722 1.00 61.52 H new ATOM 0 HD3 ARG A 102 -1.462 -13.620 3.484 1.00 61.52 H new ATOM 0 HE ARG A 102 -1.469 -16.594 3.717 1.00 4.34 H new ATOM 0 HH11 ARG A 102 -2.408 -13.688 1.894 1.00 50.23 H new ATOM 0 HH12 ARG A 102 -2.816 -14.607 0.442 1.00 50.23 H new ATOM 0 HH21 ARG A 102 -1.992 -17.728 1.840 1.00 43.31 H new ATOM 0 HH22 ARG A 102 -2.582 -16.872 0.412 1.00 43.31 H new ATOM 1610 N ARG A 103 0.728 -9.778 6.063 1.00 40.05 N ATOM 1611 CA ARG A 103 0.721 -8.606 6.970 1.00 15.53 C ATOM 1612 C ARG A 103 1.240 -7.341 6.263 1.00 75.23 C ATOM 1613 O ARG A 103 2.132 -7.416 5.423 1.00 63.44 O ATOM 1614 CB ARG A 103 1.577 -8.906 8.234 1.00 53.15 C ATOM 1615 CG ARG A 103 0.876 -9.747 9.323 1.00 70.10 C ATOM 1616 CD ARG A 103 -0.308 -8.997 9.954 1.00 63.51 C ATOM 1617 NE ARG A 103 -1.009 -9.771 10.997 1.00 44.14 N ATOM 1618 CZ ARG A 103 -2.173 -9.391 11.570 1.00 12.22 C ATOM 1619 NH1 ARG A 103 -2.774 -8.258 11.209 1.00 24.14 N ATOM 1620 NH2 ARG A 103 -2.726 -10.148 12.500 1.00 24.31 N ATOM 0 H ARG A 103 1.512 -9.788 5.411 1.00 40.05 H new ATOM 0 HA ARG A 103 -0.310 -8.419 7.269 1.00 15.53 H new ATOM 0 HB2 ARG A 103 2.483 -9.427 7.924 1.00 53.15 H new ATOM 0 HB3 ARG A 103 1.889 -7.959 8.674 1.00 53.15 H new ATOM 0 HG2 ARG A 103 0.523 -10.682 8.888 1.00 70.10 H new ATOM 0 HG3 ARG A 103 1.595 -10.008 10.099 1.00 70.10 H new ATOM 0 HD2 ARG A 103 0.053 -8.064 10.387 1.00 63.51 H new ATOM 0 HD3 ARG A 103 -1.018 -8.732 9.171 1.00 63.51 H new ATOM 0 HE ARG A 103 -0.589 -10.648 11.305 1.00 44.14 H new ATOM 0 HH11 ARG A 103 -2.356 -7.665 10.492 1.00 24.14 H new ATOM 0 HH12 ARG A 103 -3.652 -7.984 11.650 1.00 24.14 H new ATOM 0 HH21 ARG A 103 -2.275 -11.017 12.785 1.00 24.31 H new ATOM 0 HH22 ARG A 103 -3.604 -9.863 12.934 1.00 24.31 H new ATOM 1634 N VAL A 104 0.667 -6.182 6.658 1.00 52.10 N ATOM 1635 CA VAL A 104 1.057 -4.837 6.181 1.00 71.52 C ATOM 1636 C VAL A 104 0.875 -3.813 7.329 1.00 51.32 C ATOM 1637 O VAL A 104 -0.176 -3.787 7.988 1.00 50.21 O ATOM 1638 CB VAL A 104 0.232 -4.385 4.911 1.00 42.54 C ATOM 1639 CG1 VAL A 104 -1.298 -4.513 5.130 1.00 4.12 C ATOM 1640 CG2 VAL A 104 0.620 -2.946 4.465 1.00 4.25 C ATOM 0 H VAL A 104 -0.097 -6.156 7.333 1.00 52.10 H new ATOM 0 HA VAL A 104 2.104 -4.881 5.880 1.00 71.52 H new ATOM 0 HB VAL A 104 0.496 -5.068 4.103 1.00 42.54 H new ATOM 0 HG11 VAL A 104 -1.823 -4.191 4.230 1.00 4.12 H new ATOM 0 HG12 VAL A 104 -1.549 -5.552 5.344 1.00 4.12 H new ATOM 0 HG13 VAL A 104 -1.599 -3.886 5.969 1.00 4.12 H new ATOM 0 HG21 VAL A 104 0.034 -2.666 3.589 1.00 4.25 H new ATOM 0 HG22 VAL A 104 0.417 -2.247 5.276 1.00 4.25 H new ATOM 0 HG23 VAL A 104 1.681 -2.916 4.217 1.00 4.25 H new ATOM 1650 N THR A 105 1.911 -3.001 7.583 1.00 1.30 N ATOM 1651 CA THR A 105 1.869 -1.920 8.585 1.00 55.54 C ATOM 1652 C THR A 105 2.304 -0.613 7.907 1.00 72.01 C ATOM 1653 O THR A 105 3.492 -0.418 7.629 1.00 4.55 O ATOM 1654 CB THR A 105 2.810 -2.247 9.801 1.00 52.32 C ATOM 1655 OG1 THR A 105 2.499 -3.552 10.316 1.00 4.32 O ATOM 1656 CG2 THR A 105 2.685 -1.210 10.936 1.00 53.24 C ATOM 0 H THR A 105 2.806 -3.074 7.099 1.00 1.30 H new ATOM 0 HA THR A 105 0.855 -1.820 8.972 1.00 55.54 H new ATOM 0 HB THR A 105 3.836 -2.215 9.434 1.00 52.32 H new ATOM 0 HG1 THR A 105 3.088 -3.754 11.073 1.00 4.32 H new ATOM 0 HG21 THR A 105 3.355 -1.481 11.752 1.00 53.24 H new ATOM 0 HG22 THR A 105 2.954 -0.223 10.559 1.00 53.24 H new ATOM 0 HG23 THR A 105 1.658 -1.192 11.301 1.00 53.24 H new ATOM 1664 N VAL A 106 1.338 0.284 7.638 1.00 43.11 N ATOM 1665 CA VAL A 106 1.605 1.529 6.902 1.00 62.41 C ATOM 1666 C VAL A 106 2.061 2.611 7.895 1.00 72.20 C ATOM 1667 O VAL A 106 1.266 3.110 8.704 1.00 24.00 O ATOM 1668 CB VAL A 106 0.352 2.025 6.088 1.00 25.22 C ATOM 1669 CG1 VAL A 106 0.724 3.253 5.217 1.00 1.44 C ATOM 1670 CG2 VAL A 106 -0.249 0.884 5.226 1.00 1.32 C ATOM 0 H VAL A 106 0.365 0.168 7.921 1.00 43.11 H new ATOM 0 HA VAL A 106 2.392 1.330 6.175 1.00 62.41 H new ATOM 0 HB VAL A 106 -0.416 2.331 6.799 1.00 25.22 H new ATOM 0 HG11 VAL A 106 -0.153 3.584 4.661 1.00 1.44 H new ATOM 0 HG12 VAL A 106 1.073 4.062 5.859 1.00 1.44 H new ATOM 0 HG13 VAL A 106 1.514 2.978 4.518 1.00 1.44 H new ATOM 0 HG21 VAL A 106 -1.112 1.259 4.677 1.00 1.32 H new ATOM 0 HG22 VAL A 106 0.502 0.526 4.522 1.00 1.32 H new ATOM 0 HG23 VAL A 106 -0.559 0.064 5.873 1.00 1.32 H new ATOM 1680 N THR A 107 3.359 2.918 7.853 1.00 64.43 N ATOM 1681 CA THR A 107 3.985 3.938 8.703 1.00 34.31 C ATOM 1682 C THR A 107 4.049 5.262 7.917 1.00 64.44 C ATOM 1683 O THR A 107 4.102 5.247 6.685 1.00 4.51 O ATOM 1684 CB THR A 107 5.421 3.469 9.121 1.00 71.22 C ATOM 1685 OG1 THR A 107 5.365 2.093 9.554 1.00 14.33 O ATOM 1686 CG2 THR A 107 6.017 4.335 10.249 1.00 33.44 C ATOM 0 H THR A 107 4.015 2.460 7.220 1.00 64.43 H new ATOM 0 HA THR A 107 3.399 4.087 9.610 1.00 34.31 H new ATOM 0 HB THR A 107 6.068 3.574 8.250 1.00 71.22 H new ATOM 0 HG1 THR A 107 6.262 1.795 9.815 1.00 14.33 H new ATOM 0 HG21 THR A 107 7.012 3.969 10.502 1.00 33.44 H new ATOM 0 HG22 THR A 107 6.085 5.370 9.915 1.00 33.44 H new ATOM 0 HG23 THR A 107 5.376 4.279 11.128 1.00 33.44 H new ATOM 1694 N GLN A 108 4.033 6.400 8.623 1.00 42.33 N ATOM 1695 CA GLN A 108 4.060 7.739 8.004 1.00 43.21 C ATOM 1696 C GLN A 108 5.166 8.596 8.641 1.00 74.52 C ATOM 1697 O GLN A 108 5.360 8.572 9.859 1.00 72.43 O ATOM 1698 CB GLN A 108 2.672 8.431 8.160 1.00 22.32 C ATOM 1699 CG GLN A 108 2.612 9.874 7.603 1.00 33.43 C ATOM 1700 CD GLN A 108 1.255 10.567 7.785 1.00 3.35 C ATOM 1701 OE1 GLN A 108 0.207 9.925 7.791 1.00 72.14 O ATOM 1702 NE2 GLN A 108 1.266 11.885 7.943 1.00 23.02 N ATOM 0 H GLN A 108 4.001 6.422 9.642 1.00 42.33 H new ATOM 0 HA GLN A 108 4.276 7.632 6.941 1.00 43.21 H new ATOM 0 HB2 GLN A 108 1.919 7.827 7.653 1.00 22.32 H new ATOM 0 HB3 GLN A 108 2.406 8.451 9.217 1.00 22.32 H new ATOM 0 HG2 GLN A 108 3.380 10.472 8.093 1.00 33.43 H new ATOM 0 HG3 GLN A 108 2.855 9.851 6.541 1.00 33.43 H new ATOM 0 HE21 GLN A 108 2.151 12.392 7.934 1.00 23.02 H new ATOM 0 HE22 GLN A 108 0.390 12.390 8.074 1.00 23.02 H new ATOM 1711 N ASN A 109 5.881 9.347 7.787 1.00 41.41 N ATOM 1712 CA ASN A 109 6.896 10.328 8.193 1.00 52.03 C ATOM 1713 C ASN A 109 6.278 11.729 8.073 1.00 43.23 C ATOM 1714 O ASN A 109 6.412 12.394 7.038 1.00 61.43 O ATOM 1715 CB ASN A 109 8.179 10.199 7.316 1.00 23.25 C ATOM 1716 CG ASN A 109 8.909 8.866 7.514 1.00 32.51 C ATOM 1717 OD1 ASN A 109 9.783 8.747 8.370 1.00 1.14 O ATOM 1718 ND2 ASN A 109 8.546 7.852 6.735 1.00 72.32 N ATOM 0 H ASN A 109 5.766 9.286 6.775 1.00 41.41 H new ATOM 0 HA ASN A 109 7.200 10.146 9.224 1.00 52.03 H new ATOM 0 HB2 ASN A 109 7.907 10.305 6.266 1.00 23.25 H new ATOM 0 HB3 ASN A 109 8.858 11.018 7.553 1.00 23.25 H new ATOM 0 HD21 ASN A 109 8.996 6.943 6.839 1.00 72.32 H new ATOM 0 HD22 ASN A 109 7.817 7.983 6.034 1.00 72.32 H new