USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 782 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 97 THR OG1 : rot 75:sc= 2.1 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 146:sc= 0.934 (180deg=0.802) USER MOD Set 2.1: A 71 SER OG : rot 57:sc= 2.72 USER MOD Set 2.2: A 86 THR OG1 : rot 47:sc= 0.927 USER MOD Set 3.1: A 73 TYR OH : rot 4:sc= 1.25 USER MOD Set 3.2: A 83 THR OG1 : rot -25:sc= 0.633 USER MOD Set 4.1: A 62 GLN : amide:sc= 0.656 K(o=1.2,f=0.48) USER MOD Set 4.2: A 64 TYR OH : rot 30:sc= 0.59 USER MOD Set 5.1: A 57 ASN : amide:sc= 0.614 K(o=2.3,f=0.76) USER MOD Set 5.2: A 72 GLN : amide:sc= 1.1 K(o=2.3,f=0.36) USER MOD Set 5.3: A 87 SER OG : rot 6:sc= 0.604 USER MOD Set 6.1: A 36 SER OG : rot 88:sc= 1.23 USER MOD Set 6.2: A 43 TYR OH : rot 0:sc= -0.0848 USER MOD Set 6.3: A 51 SER OG : rot 170:sc= -0.101 USER MOD Set 7.1: A 31 GLN : amide:sc= 0.736 K(o=1.5,f=-0.33) USER MOD Set 7.2: A 47 ASN : amide:sc= 0.793 K(o=1.5,f=-0.33) USER MOD Set 8.1: A 24 ASN : amide:sc= 1.68 K(o=2.2,f=0.89) USER MOD Set 8.2: A 26 TYR OH : rot 180:sc= 0.532 USER MOD Set 9.1: A 23 THR OG1 : rot 76:sc= 0.0914 USER MOD Set 9.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set10.1: A 14 ASN : amide:sc= 1.03 K(o=2.9,f=0.72) USER MOD Set10.2: A 29 ASN : amide:sc= 1.85 K(o=2.9,f=-0.26) USER MOD Set11.1: A 12 THR OG1 : rot -74:sc= 1.79 USER MOD Set11.2: A 15 SER OG : rot 100:sc= 1.89 USER MOD Single : A 6 ASN : amide:sc= 0.922 K(o=0.92,f=-9.6!) USER MOD Single : A 7 THR OG1 : rot 82:sc= 0.357 USER MOD Single : A 8 ASN : amide:sc= -0.234 K(o=-0.23,f=-0.81) USER MOD Single : A 9 SER OG : rot 131:sc= 0.956 USER MOD Single : A 10 GLN : amide:sc=-0.00106 K(o=-0.0011,f=-2.8!) USER MOD Single : A 16 GLN : amide:sc= 1 K(o=1,f=-0.02) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 1.2 (180deg=0.966) USER MOD Single : A 20 SER OG : rot 75:sc= 1.18 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 65:sc= 2.03 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.867 USER MOD Single : A 41 SER OG : rot 66:sc= 1.7 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 61:sc= 1.72 USER MOD Single : A 66 THR OG1 : rot 66:sc= 1.42 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0031) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0367 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 62:sc= 1.82 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 110:sc= 0.977 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 114 SER OG : rot 11:sc= 0.792 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 11.344 -2.123 -1.477 1.00 0.00 N ATOM 47 CA VAL A 5 12.076 -1.092 -2.201 1.00 0.00 C ATOM 48 C VAL A 5 13.549 -1.532 -2.192 1.00 0.00 C ATOM 49 O VAL A 5 14.358 -1.068 -1.386 1.00 0.00 O ATOM 50 CB VAL A 5 11.805 0.298 -1.578 1.00 0.00 C ATOM 51 CG1 VAL A 5 12.476 1.421 -2.383 1.00 0.00 C ATOM 52 CG2 VAL A 5 10.297 0.601 -1.503 1.00 0.00 C ATOM 0 HA VAL A 5 11.755 -0.983 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 5 12.225 0.264 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.263 2.382 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.554 1.259 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.088 1.420 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.145 1.585 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.872 0.585 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.804 -0.153 -0.889 1.00 0.00 H new ATOM 62 N ASN A 6 13.869 -2.513 -3.039 1.00 0.00 N ATOM 63 CA ASN A 6 15.235 -2.958 -3.288 1.00 0.00 C ATOM 64 C ASN A 6 15.920 -1.883 -4.136 1.00 0.00 C ATOM 65 O ASN A 6 15.534 -1.675 -5.290 1.00 0.00 O ATOM 66 CB ASN A 6 15.223 -4.322 -4.009 1.00 0.00 C ATOM 67 CG ASN A 6 16.626 -4.857 -4.300 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.583 -4.110 -4.462 1.00 0.00 O ATOM 69 ND2 ASN A 6 16.806 -6.165 -4.345 1.00 0.00 N ATOM 0 H ASN A 6 13.172 -3.027 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 6 15.781 -3.093 -2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.684 -5.045 -3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.675 -4.226 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.737 -6.546 -4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.014 -6.794 -4.211 1.00 0.00 H new ATOM 76 N THR A 7 16.910 -1.191 -3.571 1.00 0.00 N ATOM 77 CA THR A 7 17.682 -0.189 -4.297 1.00 0.00 C ATOM 78 C THR A 7 18.783 -0.884 -5.119 1.00 0.00 C ATOM 79 O THR A 7 18.841 -0.715 -6.339 1.00 0.00 O ATOM 80 CB THR A 7 18.268 0.832 -3.301 1.00 0.00 C ATOM 81 OG1 THR A 7 17.283 1.262 -2.378 1.00 0.00 O ATOM 82 CG2 THR A 7 18.838 2.066 -4.001 1.00 0.00 C ATOM 0 H THR A 7 17.197 -1.311 -2.599 1.00 0.00 H new ATOM 0 HA THR A 7 17.039 0.353 -4.990 1.00 0.00 H new ATOM 0 HB THR A 7 19.076 0.316 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.194 0.599 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.238 2.754 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.635 1.763 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.048 2.561 -4.565 1.00 0.00 H new ATOM 90 N ASN A 8 19.645 -1.669 -4.458 1.00 0.00 N ATOM 91 CA ASN A 8 20.771 -2.399 -5.051 1.00 0.00 C ATOM 92 C ASN A 8 21.207 -3.473 -4.050 1.00 0.00 C ATOM 93 O ASN A 8 22.358 -3.521 -3.612 1.00 0.00 O ATOM 94 CB ASN A 8 21.926 -1.440 -5.402 1.00 0.00 C ATOM 95 CG ASN A 8 23.096 -2.172 -6.065 1.00 0.00 C ATOM 96 OD1 ASN A 8 22.910 -3.126 -6.818 1.00 0.00 O ATOM 97 ND2 ASN A 8 24.321 -1.739 -5.819 1.00 0.00 N ATOM 0 H ASN A 8 19.572 -1.818 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 8 20.471 -2.871 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.560 -0.661 -6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.275 -0.945 -4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 8 25.121 -2.197 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.466 -0.947 -5.193 1.00 0.00 H new ATOM 104 N SER A 9 20.249 -4.282 -3.615 1.00 0.00 N ATOM 105 CA SER A 9 20.362 -5.209 -2.500 1.00 0.00 C ATOM 106 C SER A 9 20.128 -6.654 -2.935 1.00 0.00 C ATOM 107 O SER A 9 19.608 -6.913 -4.025 1.00 0.00 O ATOM 108 CB SER A 9 19.319 -4.776 -1.469 1.00 0.00 C ATOM 109 OG SER A 9 19.502 -3.395 -1.185 1.00 0.00 O ATOM 0 H SER A 9 19.328 -4.309 -4.053 1.00 0.00 H new ATOM 0 HA SER A 9 21.369 -5.181 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.314 -4.953 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.421 -5.366 -0.558 1.00 0.00 H new ATOM 0 HG SER A 9 18.640 -2.933 -1.239 1.00 0.00 H new ATOM 115 N GLN A 10 20.485 -7.594 -2.058 1.00 0.00 N ATOM 116 CA GLN A 10 20.469 -9.021 -2.316 1.00 0.00 C ATOM 117 C GLN A 10 19.663 -9.695 -1.209 1.00 0.00 C ATOM 118 O GLN A 10 19.814 -9.377 -0.028 1.00 0.00 O ATOM 119 CB GLN A 10 21.933 -9.496 -2.411 1.00 0.00 C ATOM 120 CG GLN A 10 22.220 -10.933 -1.958 1.00 0.00 C ATOM 121 CD GLN A 10 21.583 -12.027 -2.825 1.00 0.00 C ATOM 122 OE1 GLN A 10 20.710 -11.779 -3.653 1.00 0.00 O ATOM 123 NE2 GLN A 10 22.001 -13.270 -2.649 1.00 0.00 N ATOM 0 H GLN A 10 20.804 -7.366 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 10 19.986 -9.283 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.258 -9.394 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.549 -8.822 -1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.299 -11.084 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.868 -11.052 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.726 -13.472 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.598 -14.027 -3.202 1.00 0.00 H new ATOM 132 N ILE A 11 18.834 -10.654 -1.615 1.00 0.00 N ATOM 133 CA ILE A 11 17.927 -11.417 -0.770 1.00 0.00 C ATOM 134 C ILE A 11 18.078 -12.867 -1.226 1.00 0.00 C ATOM 135 O ILE A 11 17.822 -13.174 -2.394 1.00 0.00 O ATOM 136 CB ILE A 11 16.468 -10.890 -0.873 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.339 -9.360 -0.662 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.579 -11.600 0.166 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.357 -8.549 -1.963 1.00 0.00 C ATOM 0 H ILE A 11 18.776 -10.932 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 11 18.169 -11.321 0.288 1.00 0.00 H new ATOM 0 HB ILE A 11 16.145 -11.108 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.410 -9.154 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.155 -9.021 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.558 -11.226 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.587 -12.674 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.962 -11.404 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.262 -7.488 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.296 -8.724 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.525 -8.858 -2.596 1.00 0.00 H new ATOM 151 N THR A 12 18.563 -13.736 -0.337 1.00 0.00 N ATOM 152 CA THR A 12 18.803 -15.141 -0.681 1.00 0.00 C ATOM 153 C THR A 12 17.478 -15.889 -0.906 1.00 0.00 C ATOM 154 O THR A 12 16.407 -15.429 -0.503 1.00 0.00 O ATOM 155 CB THR A 12 19.694 -15.820 0.375 1.00 0.00 C ATOM 156 OG1 THR A 12 19.313 -15.449 1.681 1.00 0.00 O ATOM 157 CG2 THR A 12 21.167 -15.446 0.203 1.00 0.00 C ATOM 0 H THR A 12 18.797 -13.493 0.626 1.00 0.00 H new ATOM 0 HA THR A 12 19.347 -15.179 -1.625 1.00 0.00 H new ATOM 0 HB THR A 12 19.565 -16.893 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.603 -14.530 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.761 -15.946 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.509 -15.758 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.282 -14.367 0.302 1.00 0.00 H new ATOM 165 N ALA A 13 17.556 -17.070 -1.532 1.00 0.00 N ATOM 166 CA ALA A 13 16.405 -17.848 -1.987 1.00 0.00 C ATOM 167 C ALA A 13 15.398 -18.194 -0.882 1.00 0.00 C ATOM 168 O ALA A 13 14.218 -18.385 -1.183 1.00 0.00 O ATOM 169 CB ALA A 13 16.915 -19.145 -2.622 1.00 0.00 C ATOM 0 H ALA A 13 18.447 -17.520 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 13 15.868 -17.223 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 13 16.068 -19.738 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.560 -18.907 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.480 -19.714 -1.884 1.00 0.00 H new ATOM 175 N ASN A 14 15.847 -18.291 0.376 1.00 0.00 N ATOM 176 CA ASN A 14 14.999 -18.681 1.511 1.00 0.00 C ATOM 177 C ASN A 14 14.778 -17.524 2.495 1.00 0.00 C ATOM 178 O ASN A 14 14.062 -17.676 3.486 1.00 0.00 O ATOM 179 CB ASN A 14 15.589 -19.912 2.217 1.00 0.00 C ATOM 180 CG ASN A 14 14.565 -20.562 3.149 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.487 -20.967 2.717 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.869 -20.706 4.427 1.00 0.00 N ATOM 0 H ASN A 14 16.814 -18.100 0.637 1.00 0.00 H new ATOM 0 HA ASN A 14 14.017 -18.943 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.919 -20.637 1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.470 -19.619 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.208 -21.155 5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.765 -20.368 4.779 1.00 0.00 H new ATOM 189 N SER A 15 15.384 -16.366 2.232 1.00 0.00 N ATOM 190 CA SER A 15 15.098 -15.134 2.947 1.00 0.00 C ATOM 191 C SER A 15 13.735 -14.578 2.523 1.00 0.00 C ATOM 192 O SER A 15 13.130 -15.073 1.567 1.00 0.00 O ATOM 193 CB SER A 15 16.204 -14.135 2.631 1.00 0.00 C ATOM 194 OG SER A 15 17.390 -14.556 3.265 1.00 0.00 O ATOM 0 H SER A 15 16.094 -16.262 1.507 1.00 0.00 H new ATOM 0 HA SER A 15 15.062 -15.322 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.355 -14.068 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.924 -13.140 2.977 1.00 0.00 H new ATOM 0 HG SER A 15 17.964 -15.012 2.615 1.00 0.00 H new ATOM 200 N GLN A 16 13.256 -13.527 3.195 1.00 0.00 N ATOM 201 CA GLN A 16 12.043 -12.813 2.820 1.00 0.00 C ATOM 202 C GLN A 16 12.287 -11.325 3.025 1.00 0.00 C ATOM 203 O GLN A 16 12.986 -10.928 3.961 1.00 0.00 O ATOM 204 CB GLN A 16 10.851 -13.272 3.685 1.00 0.00 C ATOM 205 CG GLN A 16 10.337 -14.690 3.386 1.00 0.00 C ATOM 206 CD GLN A 16 9.649 -14.793 2.023 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.449 -14.565 1.895 1.00 0.00 O ATOM 208 NE2 GLN A 16 10.381 -15.126 0.974 1.00 0.00 N ATOM 0 H GLN A 16 13.710 -13.147 4.026 1.00 0.00 H new ATOM 0 HA GLN A 16 11.802 -13.021 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.142 -13.221 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.030 -12.568 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.172 -15.390 3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.637 -14.990 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.377 -15.314 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.950 -15.195 0.052 1.00 0.00 H new ATOM 217 N CYS A 17 11.664 -10.507 2.179 1.00 0.00 N ATOM 218 CA CYS A 17 11.598 -9.069 2.342 1.00 0.00 C ATOM 219 C CYS A 17 10.148 -8.669 2.067 1.00 0.00 C ATOM 220 O CYS A 17 9.587 -9.097 1.053 1.00 0.00 O ATOM 221 CB CYS A 17 12.604 -8.375 1.416 1.00 0.00 C ATOM 222 SG CYS A 17 12.914 -6.643 1.847 1.00 0.00 S ATOM 0 H CYS A 17 11.182 -10.840 1.344 1.00 0.00 H new ATOM 0 HA CYS A 17 11.875 -8.756 3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.547 -8.921 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.236 -8.425 0.391 1.00 0.00 H new ATOM 0 HG CYS A 17 13.776 -6.137 1.016 1.00 0.00 H new ATOM 227 N VAL A 18 9.528 -7.905 2.970 1.00 0.00 N ATOM 228 CA VAL A 18 8.114 -7.545 2.883 1.00 0.00 C ATOM 229 C VAL A 18 7.955 -6.090 3.342 1.00 0.00 C ATOM 230 O VAL A 18 8.382 -5.750 4.448 1.00 0.00 O ATOM 231 CB VAL A 18 7.253 -8.516 3.735 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.762 -8.343 3.412 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.590 -10.009 3.545 1.00 0.00 C ATOM 0 H VAL A 18 9.998 -7.517 3.788 1.00 0.00 H new ATOM 0 HA VAL A 18 7.764 -7.632 1.854 1.00 0.00 H new ATOM 0 HB VAL A 18 7.484 -8.247 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.176 -9.032 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.459 -7.319 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.591 -8.555 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.940 -10.612 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.439 -10.286 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.630 -10.185 3.820 1.00 0.00 H new ATOM 243 N LYS A 19 7.338 -5.249 2.498 1.00 0.00 N ATOM 244 CA LYS A 19 7.079 -3.814 2.694 1.00 0.00 C ATOM 245 C LYS A 19 8.178 -3.091 3.478 1.00 0.00 C ATOM 246 O LYS A 19 7.899 -2.393 4.451 1.00 0.00 O ATOM 247 CB LYS A 19 5.658 -3.527 3.224 1.00 0.00 C ATOM 248 CG LYS A 19 5.246 -4.269 4.505 1.00 0.00 C ATOM 249 CD LYS A 19 4.254 -3.424 5.319 1.00 0.00 C ATOM 250 CE LYS A 19 3.617 -4.231 6.457 1.00 0.00 C ATOM 251 NZ LYS A 19 2.967 -3.349 7.457 1.00 0.00 N ATOM 0 H LYS A 19 6.983 -5.576 1.599 1.00 0.00 H new ATOM 0 HA LYS A 19 7.116 -3.376 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.571 -2.456 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.943 -3.776 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.793 -5.226 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.128 -4.485 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.769 -2.557 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.472 -3.046 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.880 -4.921 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.381 -4.835 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.419 -3.927 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.695 -2.816 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.331 -2.684 6.972 1.00 0.00 H new ATOM 265 N SER A 20 9.424 -3.270 3.052 1.00 0.00 N ATOM 266 CA SER A 20 10.609 -2.713 3.683 1.00 0.00 C ATOM 267 C SER A 20 11.509 -2.118 2.593 1.00 0.00 C ATOM 268 O SER A 20 11.242 -2.290 1.398 1.00 0.00 O ATOM 269 CB SER A 20 11.280 -3.822 4.507 1.00 0.00 C ATOM 270 OG SER A 20 10.424 -4.212 5.568 1.00 0.00 O ATOM 0 H SER A 20 9.641 -3.828 2.227 1.00 0.00 H new ATOM 0 HA SER A 20 10.373 -1.901 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.500 -4.679 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.231 -3.468 4.905 1.00 0.00 H new ATOM 0 HG SER A 20 9.690 -4.755 5.213 1.00 0.00 H new ATOM 276 N THR A 21 12.560 -1.404 2.985 1.00 0.00 N ATOM 277 CA THR A 21 13.445 -0.678 2.081 1.00 0.00 C ATOM 278 C THR A 21 14.868 -1.158 2.337 1.00 0.00 C ATOM 279 O THR A 21 15.277 -1.300 3.494 1.00 0.00 O ATOM 280 CB THR A 21 13.292 0.834 2.323 1.00 0.00 C ATOM 281 OG1 THR A 21 11.942 1.226 2.146 1.00 0.00 O ATOM 282 CG2 THR A 21 14.164 1.690 1.395 1.00 0.00 C ATOM 0 H THR A 21 12.826 -1.312 3.965 1.00 0.00 H new ATOM 0 HA THR A 21 13.193 -0.865 1.037 1.00 0.00 H new ATOM 0 HB THR A 21 13.621 1.005 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.858 2.189 2.304 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.007 2.745 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.214 1.439 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.891 1.495 0.358 1.00 0.00 H new ATOM 290 N ALA A 22 15.620 -1.393 1.261 1.00 0.00 N ATOM 291 CA ALA A 22 16.960 -1.931 1.328 1.00 0.00 C ATOM 292 C ALA A 22 17.857 -1.104 0.425 1.00 0.00 C ATOM 293 O ALA A 22 17.776 -1.198 -0.804 1.00 0.00 O ATOM 294 CB ALA A 22 16.940 -3.421 0.961 1.00 0.00 C ATOM 0 H ALA A 22 15.302 -1.209 0.310 1.00 0.00 H new ATOM 0 HA ALA A 22 17.361 -1.869 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.952 -3.822 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.300 -3.959 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.554 -3.541 -0.051 1.00 0.00 H new ATOM 300 N THR A 23 18.714 -0.300 1.040 1.00 0.00 N ATOM 301 CA THR A 23 19.608 0.631 0.375 1.00 0.00 C ATOM 302 C THR A 23 20.989 -0.036 0.312 1.00 0.00 C ATOM 303 O THR A 23 21.881 0.278 1.101 1.00 0.00 O ATOM 304 CB THR A 23 19.573 2.000 1.091 1.00 0.00 C ATOM 305 OG1 THR A 23 18.265 2.321 1.535 1.00 0.00 O ATOM 306 CG2 THR A 23 20.059 3.125 0.172 1.00 0.00 C ATOM 0 H THR A 23 18.807 -0.280 2.056 1.00 0.00 H new ATOM 0 HA THR A 23 19.304 0.852 -0.648 1.00 0.00 H new ATOM 0 HB THR A 23 20.239 1.914 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.053 1.795 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.021 4.074 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.084 2.924 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.418 3.179 -0.708 1.00 0.00 H new ATOM 314 N ASN A 24 21.140 -1.004 -0.602 1.00 0.00 N ATOM 315 CA ASN A 24 22.280 -1.914 -0.689 1.00 0.00 C ATOM 316 C ASN A 24 22.461 -2.680 0.619 1.00 0.00 C ATOM 317 O ASN A 24 23.316 -2.351 1.437 1.00 0.00 O ATOM 318 CB ASN A 24 23.565 -1.233 -1.196 1.00 0.00 C ATOM 319 CG ASN A 24 24.742 -2.211 -1.206 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.742 -2.013 -0.523 1.00 0.00 O ATOM 321 ND2 ASN A 24 24.658 -3.284 -1.976 1.00 0.00 N ATOM 0 H ASN A 24 20.443 -1.178 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 24 22.054 -2.652 -1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.402 -0.846 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 24 23.803 -0.380 -0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 24 25.428 -3.953 -2.004 1.00 0.00 H new ATOM 0 HD22 ASN A 24 23.824 -3.442 -2.541 1.00 0.00 H new ATOM 328 N CYS A 25 21.633 -3.703 0.824 1.00 0.00 N ATOM 329 CA CYS A 25 21.723 -4.597 1.968 1.00 0.00 C ATOM 330 C CYS A 25 21.873 -6.031 1.469 1.00 0.00 C ATOM 331 O CYS A 25 21.630 -6.322 0.293 1.00 0.00 O ATOM 332 CB CYS A 25 20.483 -4.480 2.866 1.00 0.00 C ATOM 333 SG CYS A 25 19.948 -2.802 3.280 1.00 0.00 S ATOM 0 H CYS A 25 20.870 -3.934 0.188 1.00 0.00 H new ATOM 0 HA CYS A 25 22.592 -4.316 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 25 19.655 -4.991 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.682 -5.015 3.795 1.00 0.00 H new ATOM 338 N TYR A 26 22.224 -6.927 2.382 1.00 0.00 N ATOM 339 CA TYR A 26 22.458 -8.333 2.113 1.00 0.00 C ATOM 340 C TYR A 26 21.685 -9.107 3.175 1.00 0.00 C ATOM 341 O TYR A 26 21.678 -8.718 4.348 1.00 0.00 O ATOM 342 CB TYR A 26 23.969 -8.604 2.140 1.00 0.00 C ATOM 343 CG TYR A 26 24.738 -7.823 1.086 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.191 -6.517 1.363 1.00 0.00 C ATOM 345 CD2 TYR A 26 24.943 -8.376 -0.193 1.00 0.00 C ATOM 346 CE1 TYR A 26 25.815 -5.755 0.360 1.00 0.00 C ATOM 347 CE2 TYR A 26 25.576 -7.623 -1.199 1.00 0.00 C ATOM 348 CZ TYR A 26 26.006 -6.303 -0.928 1.00 0.00 C ATOM 349 OH TYR A 26 26.595 -5.547 -1.899 1.00 0.00 O ATOM 0 H TYR A 26 22.357 -6.683 3.363 1.00 0.00 H new ATOM 0 HA TYR A 26 22.112 -8.645 1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.359 -8.352 3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.143 -9.670 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.058 -6.100 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 26 24.613 -9.383 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.148 -4.750 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 26 25.733 -8.053 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 26 26.655 -6.067 -2.727 1.00 0.00 H new ATOM 359 N ILE A 27 20.983 -10.156 2.751 1.00 0.00 N ATOM 360 CA ILE A 27 20.018 -10.874 3.566 1.00 0.00 C ATOM 361 C ILE A 27 20.264 -12.361 3.293 1.00 0.00 C ATOM 362 O ILE A 27 19.965 -12.857 2.202 1.00 0.00 O ATOM 363 CB ILE A 27 18.582 -10.393 3.211 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.418 -8.856 3.314 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.529 -11.096 4.074 1.00 0.00 C ATOM 366 CD1 ILE A 27 16.996 -8.346 3.055 1.00 0.00 C ATOM 0 H ILE A 27 21.075 -10.535 1.809 1.00 0.00 H new ATOM 0 HA ILE A 27 20.127 -10.689 4.635 1.00 0.00 H new ATOM 0 HB ILE A 27 18.424 -10.666 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.729 -8.537 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.094 -8.383 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.536 -10.738 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.584 -12.172 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.717 -10.879 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 27 16.976 -7.260 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 27 16.685 -8.629 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 27 16.314 -8.785 3.783 1.00 0.00 H new ATOM 378 N ASP A 28 20.845 -13.057 4.269 1.00 0.00 N ATOM 379 CA ASP A 28 21.232 -14.461 4.211 1.00 0.00 C ATOM 380 C ASP A 28 20.362 -15.235 5.195 1.00 0.00 C ATOM 381 O ASP A 28 20.444 -14.998 6.400 1.00 0.00 O ATOM 382 CB ASP A 28 22.717 -14.622 4.559 1.00 0.00 C ATOM 383 CG ASP A 28 23.080 -16.106 4.738 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.864 -16.902 3.798 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.615 -16.481 5.805 1.00 0.00 O ATOM 0 H ASP A 28 21.069 -12.631 5.168 1.00 0.00 H new ATOM 0 HA ASP A 28 21.086 -14.849 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.329 -14.186 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 28 22.942 -14.075 5.475 1.00 0.00 H new ATOM 390 N ASN A 29 19.507 -16.125 4.685 1.00 0.00 N ATOM 391 CA ASN A 29 18.466 -16.848 5.427 1.00 0.00 C ATOM 392 C ASN A 29 17.726 -15.977 6.463 1.00 0.00 C ATOM 393 O ASN A 29 17.460 -16.424 7.580 1.00 0.00 O ATOM 394 CB ASN A 29 19.046 -18.133 6.050 1.00 0.00 C ATOM 395 CG ASN A 29 17.930 -19.117 6.398 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.196 -19.546 5.514 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.770 -19.526 7.645 1.00 0.00 N ATOM 0 H ASN A 29 19.521 -16.374 3.696 1.00 0.00 H new ATOM 0 HA ASN A 29 17.700 -17.131 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.743 -18.598 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.611 -17.884 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.037 -20.198 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.380 -19.170 8.381 1.00 0.00 H new ATOM 404 N SER A 30 17.422 -14.723 6.122 1.00 0.00 N ATOM 405 CA SER A 30 16.921 -13.719 7.053 1.00 0.00 C ATOM 406 C SER A 30 15.610 -13.103 6.566 1.00 0.00 C ATOM 407 O SER A 30 15.188 -13.297 5.425 1.00 0.00 O ATOM 408 CB SER A 30 18.002 -12.652 7.281 1.00 0.00 C ATOM 409 OG SER A 30 19.137 -13.199 7.908 1.00 0.00 O ATOM 0 H SER A 30 17.521 -14.373 5.169 1.00 0.00 H new ATOM 0 HA SER A 30 16.698 -14.201 8.005 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.288 -12.212 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.598 -11.847 7.895 1.00 0.00 H new ATOM 0 HG SER A 30 19.554 -13.857 7.313 1.00 0.00 H new ATOM 415 N GLN A 31 14.940 -12.367 7.450 1.00 0.00 N ATOM 416 CA GLN A 31 13.583 -11.880 7.247 1.00 0.00 C ATOM 417 C GLN A 31 13.584 -10.387 7.550 1.00 0.00 C ATOM 418 O GLN A 31 13.837 -10.001 8.691 1.00 0.00 O ATOM 419 CB GLN A 31 12.632 -12.633 8.191 1.00 0.00 C ATOM 420 CG GLN A 31 12.554 -14.146 7.916 1.00 0.00 C ATOM 421 CD GLN A 31 11.848 -14.918 9.033 1.00 0.00 C ATOM 422 OE1 GLN A 31 11.304 -14.352 9.978 1.00 0.00 O ATOM 423 NE2 GLN A 31 11.870 -16.239 8.966 1.00 0.00 N ATOM 0 H GLN A 31 15.337 -12.088 8.347 1.00 0.00 H new ATOM 0 HA GLN A 31 13.246 -12.047 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.957 -12.476 9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.633 -12.205 8.103 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.027 -14.313 6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.563 -14.540 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.323 -16.702 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.433 -16.794 9.702 1.00 0.00 H new ATOM 432 N LEU A 32 13.307 -9.562 6.540 1.00 0.00 N ATOM 433 CA LEU A 32 13.284 -8.103 6.654 1.00 0.00 C ATOM 434 C LEU A 32 11.855 -7.651 6.372 1.00 0.00 C ATOM 435 O LEU A 32 11.458 -7.568 5.209 1.00 0.00 O ATOM 436 CB LEU A 32 14.317 -7.504 5.680 1.00 0.00 C ATOM 437 CG LEU A 32 14.477 -5.974 5.786 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.146 -5.579 7.107 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.344 -5.433 4.645 1.00 0.00 C ATOM 0 H LEU A 32 13.088 -9.895 5.601 1.00 0.00 H new ATOM 0 HA LEU A 32 13.563 -7.756 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.284 -7.972 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.027 -7.757 4.660 1.00 0.00 H new ATOM 0 HG LEU A 32 13.475 -5.549 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.246 -4.495 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.535 -5.924 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.133 -6.037 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.441 -4.352 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.332 -5.892 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.877 -5.670 3.689 1.00 0.00 H new ATOM 451 N VAL A 33 11.058 -7.403 7.414 1.00 0.00 N ATOM 452 CA VAL A 33 9.622 -7.194 7.249 1.00 0.00 C ATOM 453 C VAL A 33 9.145 -5.895 7.902 1.00 0.00 C ATOM 454 O VAL A 33 9.855 -5.309 8.717 1.00 0.00 O ATOM 455 CB VAL A 33 8.846 -8.445 7.727 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.291 -9.709 6.969 1.00 0.00 C ATOM 457 CG2 VAL A 33 8.962 -8.726 9.233 1.00 0.00 C ATOM 0 H VAL A 33 11.384 -7.343 8.379 1.00 0.00 H new ATOM 0 HA VAL A 33 9.409 -7.066 6.188 1.00 0.00 H new ATOM 0 HB VAL A 33 7.804 -8.210 7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.725 -10.568 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.108 -9.577 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.355 -9.878 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.389 -9.619 9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.009 -8.882 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.571 -7.876 9.793 1.00 0.00 H new ATOM 467 N ASP A 34 7.923 -5.490 7.537 1.00 0.00 N ATOM 468 CA ASP A 34 7.174 -4.327 8.015 1.00 0.00 C ATOM 469 C ASP A 34 8.022 -3.088 8.274 1.00 0.00 C ATOM 470 O ASP A 34 8.516 -2.876 9.382 1.00 0.00 O ATOM 471 CB ASP A 34 6.315 -4.665 9.239 1.00 0.00 C ATOM 472 CG ASP A 34 5.508 -3.444 9.717 1.00 0.00 C ATOM 473 OD1 ASP A 34 5.209 -2.543 8.895 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.092 -3.440 10.896 1.00 0.00 O ATOM 0 H ASP A 34 7.390 -6.013 6.842 1.00 0.00 H new ATOM 0 HA ASP A 34 6.517 -4.066 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.633 -5.479 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.955 -5.019 10.047 1.00 0.00 H new ATOM 479 N THR A 35 8.125 -2.236 7.254 1.00 0.00 N ATOM 480 CA THR A 35 8.718 -0.918 7.317 1.00 0.00 C ATOM 481 C THR A 35 10.123 -0.915 7.944 1.00 0.00 C ATOM 482 O THR A 35 10.535 0.052 8.589 1.00 0.00 O ATOM 483 CB THR A 35 7.704 0.055 7.946 1.00 0.00 C ATOM 484 OG1 THR A 35 6.354 -0.262 7.620 1.00 0.00 O ATOM 485 CG2 THR A 35 7.968 1.473 7.427 1.00 0.00 C ATOM 0 H THR A 35 7.779 -2.465 6.322 1.00 0.00 H new ATOM 0 HA THR A 35 8.921 -0.556 6.309 1.00 0.00 H new ATOM 0 HB THR A 35 7.833 -0.023 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.071 -1.051 8.128 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.251 2.163 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.979 1.777 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.862 1.489 6.342 1.00 0.00 H new ATOM 493 N SER A 36 10.868 -2.008 7.778 1.00 0.00 N ATOM 494 CA SER A 36 12.268 -2.048 8.113 1.00 0.00 C ATOM 495 C SER A 36 12.979 -1.262 7.024 1.00 0.00 C ATOM 496 O SER A 36 12.569 -1.269 5.858 1.00 0.00 O ATOM 497 CB SER A 36 12.750 -3.492 8.158 1.00 0.00 C ATOM 498 OG SER A 36 12.201 -4.170 9.267 1.00 0.00 O ATOM 0 H SER A 36 10.505 -2.886 7.406 1.00 0.00 H new ATOM 0 HA SER A 36 12.468 -1.618 9.094 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.468 -4.003 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.838 -3.515 8.214 1.00 0.00 H new ATOM 0 HG SER A 36 11.334 -4.555 9.019 1.00 0.00 H new ATOM 504 N ILE A 37 14.034 -0.559 7.398 1.00 0.00 N ATOM 505 CA ILE A 37 14.762 0.312 6.507 1.00 0.00 C ATOM 506 C ILE A 37 16.227 0.026 6.824 1.00 0.00 C ATOM 507 O ILE A 37 16.654 0.193 7.970 1.00 0.00 O ATOM 508 CB ILE A 37 14.323 1.787 6.719 1.00 0.00 C ATOM 509 CG1 ILE A 37 12.841 1.999 6.319 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.240 2.739 5.925 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.310 3.419 6.551 1.00 0.00 C ATOM 0 H ILE A 37 14.411 -0.581 8.346 1.00 0.00 H new ATOM 0 HA ILE A 37 14.572 0.137 5.448 1.00 0.00 H new ATOM 0 HB ILE A 37 14.415 2.015 7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.725 1.750 5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.224 1.299 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.920 3.769 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.269 2.622 6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.181 2.500 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.266 3.472 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.389 3.668 7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.898 4.127 5.967 1.00 0.00 H new ATOM 523 N CYS A 38 16.990 -0.427 5.828 1.00 0.00 N ATOM 524 CA CYS A 38 18.398 -0.748 5.994 1.00 0.00 C ATOM 525 C CYS A 38 19.213 -0.027 4.924 1.00 0.00 C ATOM 526 O CYS A 38 18.705 0.273 3.839 1.00 0.00 O ATOM 527 CB CYS A 38 18.610 -2.268 5.988 1.00 0.00 C ATOM 528 SG CYS A 38 18.284 -3.115 4.422 1.00 0.00 S ATOM 0 H CYS A 38 16.642 -0.580 4.882 1.00 0.00 H new ATOM 0 HA CYS A 38 18.749 -0.396 6.964 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.641 -2.471 6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 38 17.970 -2.706 6.754 1.00 0.00 H new ATOM 533 N THR A 39 20.488 0.211 5.220 1.00 0.00 N ATOM 534 CA THR A 39 21.457 0.824 4.338 1.00 0.00 C ATOM 535 C THR A 39 22.785 0.139 4.636 1.00 0.00 C ATOM 536 O THR A 39 23.142 -0.002 5.805 1.00 0.00 O ATOM 537 CB THR A 39 21.532 2.340 4.620 1.00 0.00 C ATOM 538 OG1 THR A 39 20.264 2.953 4.487 1.00 0.00 O ATOM 539 CG2 THR A 39 22.502 3.066 3.680 1.00 0.00 C ATOM 0 H THR A 39 20.885 -0.033 6.127 1.00 0.00 H new ATOM 0 HA THR A 39 21.191 0.708 3.287 1.00 0.00 H new ATOM 0 HB THR A 39 21.892 2.427 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.343 3.912 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.516 4.129 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.503 2.653 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.177 2.933 2.648 1.00 0.00 H new ATOM 547 N ARG A 40 23.513 -0.288 3.605 1.00 0.00 N ATOM 548 CA ARG A 40 24.867 -0.861 3.686 1.00 0.00 C ATOM 549 C ARG A 40 25.000 -2.000 4.716 1.00 0.00 C ATOM 550 O ARG A 40 26.094 -2.230 5.231 1.00 0.00 O ATOM 551 CB ARG A 40 25.880 0.287 3.899 1.00 0.00 C ATOM 552 CG ARG A 40 27.283 -0.028 3.353 1.00 0.00 C ATOM 553 CD ARG A 40 28.265 1.106 3.674 1.00 0.00 C ATOM 554 NE ARG A 40 29.563 0.897 3.008 1.00 0.00 N ATOM 555 CZ ARG A 40 30.576 0.130 3.434 1.00 0.00 C ATOM 556 NH1 ARG A 40 30.524 -0.514 4.598 1.00 0.00 N ATOM 557 NH2 ARG A 40 31.660 0.007 2.674 1.00 0.00 N ATOM 0 H ARG A 40 23.165 -0.245 2.647 1.00 0.00 H new ATOM 0 HA ARG A 40 25.091 -1.355 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.504 1.188 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 40 25.953 0.504 4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 40 27.645 -0.961 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 40 27.233 -0.176 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.840 2.058 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.413 1.167 4.752 1.00 0.00 H new ATOM 0 HE ARG A 40 29.706 1.390 2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.698 -0.430 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.310 -1.091 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.713 0.493 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 40 32.438 -0.574 2.986 1.00 0.00 H new ATOM 571 N SER A 41 23.918 -2.709 5.047 1.00 0.00 N ATOM 572 CA SER A 41 23.904 -3.645 6.171 1.00 0.00 C ATOM 573 C SER A 41 23.800 -5.101 5.728 1.00 0.00 C ATOM 574 O SER A 41 23.400 -5.411 4.603 1.00 0.00 O ATOM 575 CB SER A 41 22.775 -3.265 7.132 1.00 0.00 C ATOM 576 OG SER A 41 23.027 -1.974 7.657 1.00 0.00 O ATOM 0 H SER A 41 23.032 -2.650 4.546 1.00 0.00 H new ATOM 0 HA SER A 41 24.860 -3.565 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.818 -3.279 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.708 -3.993 7.940 1.00 0.00 H new ATOM 0 HG SER A 41 22.976 -1.312 6.936 1.00 0.00 H new ATOM 582 N GLN A 42 24.146 -5.988 6.655 1.00 0.00 N ATOM 583 CA GLN A 42 24.194 -7.432 6.477 1.00 0.00 C ATOM 584 C GLN A 42 23.321 -8.063 7.558 1.00 0.00 C ATOM 585 O GLN A 42 23.396 -7.666 8.726 1.00 0.00 O ATOM 586 CB GLN A 42 25.664 -7.885 6.591 1.00 0.00 C ATOM 587 CG GLN A 42 25.898 -9.405 6.553 1.00 0.00 C ATOM 588 CD GLN A 42 25.513 -10.033 5.213 1.00 0.00 C ATOM 589 OE1 GLN A 42 24.349 -10.317 4.957 1.00 0.00 O ATOM 590 NE2 GLN A 42 26.470 -10.248 4.323 1.00 0.00 N ATOM 0 H GLN A 42 24.414 -5.703 7.597 1.00 0.00 H new ATOM 0 HA GLN A 42 23.818 -7.739 5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.230 -7.428 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.074 -7.496 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 42 26.949 -9.611 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.321 -9.876 7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 42 27.436 -10.008 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 42 26.241 -10.653 3.415 1.00 0.00 H new ATOM 599 N TYR A 43 22.543 -9.070 7.175 1.00 0.00 N ATOM 600 CA TYR A 43 21.660 -9.823 8.048 1.00 0.00 C ATOM 601 C TYR A 43 21.884 -11.300 7.748 1.00 0.00 C ATOM 602 O TYR A 43 21.787 -11.704 6.586 1.00 0.00 O ATOM 603 CB TYR A 43 20.197 -9.455 7.776 1.00 0.00 C ATOM 604 CG TYR A 43 19.834 -8.009 8.041 1.00 0.00 C ATOM 605 CD1 TYR A 43 19.574 -7.586 9.357 1.00 0.00 C ATOM 606 CD2 TYR A 43 19.702 -7.102 6.972 1.00 0.00 C ATOM 607 CE1 TYR A 43 19.133 -6.275 9.603 1.00 0.00 C ATOM 608 CE2 TYR A 43 19.255 -5.791 7.210 1.00 0.00 C ATOM 609 CZ TYR A 43 18.947 -5.379 8.526 1.00 0.00 C ATOM 610 OH TYR A 43 18.445 -4.133 8.748 1.00 0.00 O ATOM 0 H TYR A 43 22.512 -9.394 6.208 1.00 0.00 H new ATOM 0 HA TYR A 43 21.873 -9.597 9.093 1.00 0.00 H new ATOM 0 HB2 TYR A 43 19.969 -9.685 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.559 -10.091 8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.714 -8.271 10.180 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.945 -7.414 5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 43 18.936 -5.952 10.615 1.00 0.00 H new ATOM 0 HE2 TYR A 43 19.147 -5.099 6.388 1.00 0.00 H new ATOM 0 HH TYR A 43 18.265 -4.018 9.705 1.00 0.00 H new ATOM 620 N SER A 44 22.154 -12.093 8.782 1.00 0.00 N ATOM 621 CA SER A 44 22.504 -13.496 8.653 1.00 0.00 C ATOM 622 C SER A 44 21.704 -14.293 9.681 1.00 0.00 C ATOM 623 O SER A 44 21.829 -14.060 10.884 1.00 0.00 O ATOM 624 CB SER A 44 24.015 -13.671 8.862 1.00 0.00 C ATOM 625 OG SER A 44 24.769 -12.851 7.978 1.00 0.00 O ATOM 0 H SER A 44 22.134 -11.768 9.749 1.00 0.00 H new ATOM 0 HA SER A 44 22.261 -13.863 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.270 -13.425 9.893 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.285 -14.716 8.708 1.00 0.00 H new ATOM 0 HG SER A 44 25.726 -12.988 8.141 1.00 0.00 H new ATOM 631 N ASP A 45 20.896 -15.239 9.203 1.00 0.00 N ATOM 632 CA ASP A 45 19.960 -16.065 9.966 1.00 0.00 C ATOM 633 C ASP A 45 19.151 -15.274 11.013 1.00 0.00 C ATOM 634 O ASP A 45 18.965 -15.725 12.145 1.00 0.00 O ATOM 635 CB ASP A 45 20.691 -17.290 10.539 1.00 0.00 C ATOM 636 CG ASP A 45 19.699 -18.380 10.972 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.867 -18.792 10.132 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.794 -18.890 12.113 1.00 0.00 O ATOM 0 H ASP A 45 20.876 -15.463 8.208 1.00 0.00 H new ATOM 0 HA ASP A 45 19.196 -16.429 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.373 -17.693 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.298 -16.988 11.393 1.00 0.00 H new ATOM 643 N ALA A 46 18.688 -14.071 10.652 1.00 0.00 N ATOM 644 CA ALA A 46 18.097 -13.091 11.561 1.00 0.00 C ATOM 645 C ALA A 46 16.669 -12.705 11.148 1.00 0.00 C ATOM 646 O ALA A 46 16.260 -12.908 10.004 1.00 0.00 O ATOM 647 CB ALA A 46 19.005 -11.852 11.587 1.00 0.00 C ATOM 0 H ALA A 46 18.717 -13.746 9.686 1.00 0.00 H new ATOM 0 HA ALA A 46 18.022 -13.532 12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.583 -11.106 12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.998 -12.136 11.936 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.079 -11.434 10.583 1.00 0.00 H new ATOM 653 N ASN A 47 15.923 -12.084 12.064 1.00 0.00 N ATOM 654 CA ASN A 47 14.596 -11.521 11.810 1.00 0.00 C ATOM 655 C ASN A 47 14.609 -10.057 12.219 1.00 0.00 C ATOM 656 O ASN A 47 15.235 -9.681 13.212 1.00 0.00 O ATOM 657 CB ASN A 47 13.505 -12.294 12.560 1.00 0.00 C ATOM 658 CG ASN A 47 12.147 -11.595 12.502 1.00 0.00 C ATOM 659 OD1 ASN A 47 11.867 -10.695 13.286 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.273 -11.980 11.586 1.00 0.00 N ATOM 0 H ASN A 47 16.233 -11.956 13.027 1.00 0.00 H new ATOM 0 HA ASN A 47 14.364 -11.606 10.748 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.414 -13.293 12.134 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.802 -12.417 13.601 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.361 -11.527 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.512 -12.729 10.936 1.00 0.00 H new ATOM 667 N VAL A 48 13.931 -9.237 11.433 1.00 0.00 N ATOM 668 CA VAL A 48 13.999 -7.791 11.520 1.00 0.00 C ATOM 669 C VAL A 48 12.606 -7.227 11.252 1.00 0.00 C ATOM 670 O VAL A 48 11.959 -7.620 10.275 1.00 0.00 O ATOM 671 CB VAL A 48 15.009 -7.275 10.474 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.338 -5.801 10.724 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.332 -8.057 10.406 1.00 0.00 C ATOM 0 H VAL A 48 13.304 -9.568 10.700 1.00 0.00 H new ATOM 0 HA VAL A 48 14.329 -7.474 12.509 1.00 0.00 H new ATOM 0 HB VAL A 48 14.505 -7.419 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.052 -5.456 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.426 -5.208 10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.771 -5.688 11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.975 -7.619 9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.833 -8.009 11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.127 -9.098 10.154 1.00 0.00 H new ATOM 683 N LYS A 49 12.162 -6.288 12.090 1.00 0.00 N ATOM 684 CA LYS A 49 10.885 -5.602 11.958 1.00 0.00 C ATOM 685 C LYS A 49 11.096 -4.131 12.294 1.00 0.00 C ATOM 686 O LYS A 49 11.743 -3.825 13.299 1.00 0.00 O ATOM 687 CB LYS A 49 9.858 -6.267 12.886 1.00 0.00 C ATOM 688 CG LYS A 49 8.429 -5.823 12.551 1.00 0.00 C ATOM 689 CD LYS A 49 7.399 -6.498 13.465 1.00 0.00 C ATOM 690 CE LYS A 49 5.981 -6.071 13.057 1.00 0.00 C ATOM 691 NZ LYS A 49 4.938 -6.695 13.910 1.00 0.00 N ATOM 0 H LYS A 49 12.699 -5.979 12.900 1.00 0.00 H new ATOM 0 HA LYS A 49 10.499 -5.670 10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.934 -7.351 12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.085 -6.015 13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.351 -4.740 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.207 -6.064 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.495 -7.582 13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.586 -6.224 14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.898 -4.986 13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.807 -6.344 12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.998 -6.378 13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.998 -7.730 13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.086 -6.415 14.901 1.00 0.00 H new ATOM 705 N LYS A 50 10.524 -3.226 11.496 1.00 0.00 N ATOM 706 CA LYS A 50 10.661 -1.771 11.589 1.00 0.00 C ATOM 707 C LYS A 50 12.067 -1.273 11.952 1.00 0.00 C ATOM 708 O LYS A 50 12.192 -0.311 12.713 1.00 0.00 O ATOM 709 CB LYS A 50 9.583 -1.188 12.529 1.00 0.00 C ATOM 710 CG LYS A 50 8.126 -1.387 12.090 1.00 0.00 C ATOM 711 CD LYS A 50 7.178 -0.700 13.085 1.00 0.00 C ATOM 712 CE LYS A 50 5.724 -0.847 12.620 1.00 0.00 C ATOM 713 NZ LYS A 50 4.768 -0.148 13.516 1.00 0.00 N ATOM 0 H LYS A 50 9.919 -3.505 10.724 1.00 0.00 H new ATOM 0 HA LYS A 50 10.500 -1.394 10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.709 -1.636 13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.765 -0.119 12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.979 -0.975 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.897 -2.451 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.297 -1.140 14.075 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.434 0.356 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.627 -0.450 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.466 -1.905 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.800 -0.277 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.839 -0.543 14.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.995 0.867 13.542 1.00 0.00 H new ATOM 727 N SER A 51 13.134 -1.909 11.471 1.00 0.00 N ATOM 728 CA SER A 51 14.467 -1.412 11.771 1.00 0.00 C ATOM 729 C SER A 51 14.741 -0.066 11.089 1.00 0.00 C ATOM 730 O SER A 51 14.077 0.300 10.115 1.00 0.00 O ATOM 731 CB SER A 51 15.515 -2.436 11.341 1.00 0.00 C ATOM 732 OG SER A 51 15.375 -2.705 9.958 1.00 0.00 O ATOM 0 H SER A 51 13.102 -2.746 10.889 1.00 0.00 H new ATOM 0 HA SER A 51 14.527 -1.256 12.848 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.516 -2.057 11.549 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.397 -3.355 11.915 1.00 0.00 H new ATOM 0 HG SER A 51 16.140 -3.233 9.648 1.00 0.00 H new ATOM 738 N VAL A 52 15.765 0.637 11.572 1.00 0.00 N ATOM 739 CA VAL A 52 16.348 1.817 10.943 1.00 0.00 C ATOM 740 C VAL A 52 17.849 1.575 11.116 1.00 0.00 C ATOM 741 O VAL A 52 18.463 2.030 12.081 1.00 0.00 O ATOM 742 CB VAL A 52 15.817 3.128 11.569 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.394 4.344 10.828 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.282 3.223 11.508 1.00 0.00 C ATOM 0 H VAL A 52 16.228 0.389 12.446 1.00 0.00 H new ATOM 0 HA VAL A 52 16.085 1.949 9.894 1.00 0.00 H new ATOM 0 HB VAL A 52 16.131 3.122 12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.012 5.260 11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.482 4.331 10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.098 4.305 9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.957 4.160 11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.956 3.189 10.468 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.844 2.387 12.053 1.00 0.00 H new ATOM 754 N THR A 53 18.448 0.809 10.209 1.00 0.00 N ATOM 755 CA THR A 53 19.773 0.284 10.364 1.00 0.00 C ATOM 756 C THR A 53 20.677 0.819 9.249 1.00 0.00 C ATOM 757 O THR A 53 20.277 0.883 8.087 1.00 0.00 O ATOM 758 CB THR A 53 19.520 -1.233 10.376 1.00 0.00 C ATOM 759 OG1 THR A 53 19.194 -1.643 11.691 1.00 0.00 O ATOM 760 CG2 THR A 53 20.676 -2.025 9.818 1.00 0.00 C ATOM 0 H THR A 53 18.004 0.538 9.332 1.00 0.00 H new ATOM 0 HA THR A 53 20.314 0.578 11.263 1.00 0.00 H new ATOM 0 HB THR A 53 18.679 -1.439 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.031 -2.609 11.701 1.00 0.00 H new ATOM 0 HG21 THR A 53 20.439 -3.088 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 53 20.856 -1.727 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.569 -1.833 10.412 1.00 0.00 H new ATOM 768 N THR A 54 21.904 1.191 9.604 1.00 0.00 N ATOM 769 CA THR A 54 22.895 1.729 8.692 1.00 0.00 C ATOM 770 C THR A 54 24.236 1.068 9.014 1.00 0.00 C ATOM 771 O THR A 54 24.706 1.142 10.151 1.00 0.00 O ATOM 772 CB THR A 54 22.961 3.262 8.844 1.00 0.00 C ATOM 773 OG1 THR A 54 21.678 3.849 8.708 1.00 0.00 O ATOM 774 CG2 THR A 54 23.880 3.905 7.798 1.00 0.00 C ATOM 0 H THR A 54 22.241 1.122 10.564 1.00 0.00 H new ATOM 0 HA THR A 54 22.634 1.518 7.655 1.00 0.00 H new ATOM 0 HB THR A 54 23.358 3.445 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.750 4.821 8.810 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.896 4.985 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.890 3.509 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.508 3.678 6.799 1.00 0.00 H new ATOM 782 N ASP A 55 24.868 0.481 7.996 1.00 0.00 N ATOM 783 CA ASP A 55 26.195 -0.129 8.034 1.00 0.00 C ATOM 784 C ASP A 55 26.381 -1.106 9.205 1.00 0.00 C ATOM 785 O ASP A 55 27.350 -0.995 9.958 1.00 0.00 O ATOM 786 CB ASP A 55 27.265 0.972 7.953 1.00 0.00 C ATOM 787 CG ASP A 55 28.673 0.399 7.729 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.852 -0.401 6.785 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.623 0.818 8.432 1.00 0.00 O ATOM 0 H ASP A 55 24.442 0.416 7.072 1.00 0.00 H new ATOM 0 HA ASP A 55 26.312 -0.767 7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.019 1.656 7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.254 1.555 8.874 1.00 0.00 H new ATOM 794 N CYS A 56 25.448 -2.052 9.395 1.00 0.00 N ATOM 795 CA CYS A 56 25.467 -2.973 10.530 1.00 0.00 C ATOM 796 C CYS A 56 25.630 -4.424 10.074 1.00 0.00 C ATOM 797 O CYS A 56 25.406 -4.743 8.905 1.00 0.00 O ATOM 798 CB CYS A 56 24.215 -2.798 11.404 1.00 0.00 C ATOM 799 SG CYS A 56 24.170 -1.259 12.367 1.00 0.00 S ATOM 0 H CYS A 56 24.661 -2.196 8.763 1.00 0.00 H new ATOM 0 HA CYS A 56 26.336 -2.726 11.140 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.334 -2.836 10.764 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.147 -3.642 12.090 1.00 0.00 H new ATOM 804 N ASN A 57 25.997 -5.312 11.004 1.00 0.00 N ATOM 805 CA ASN A 57 26.252 -6.727 10.754 1.00 0.00 C ATOM 806 C ASN A 57 25.465 -7.454 11.827 1.00 0.00 C ATOM 807 O ASN A 57 25.838 -7.402 12.995 1.00 0.00 O ATOM 808 CB ASN A 57 27.760 -7.016 10.859 1.00 0.00 C ATOM 809 CG ASN A 57 28.062 -8.510 10.949 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.370 -9.337 10.362 1.00 0.00 O ATOM 811 ND2 ASN A 57 29.100 -8.888 11.680 1.00 0.00 N ATOM 0 H ASN A 57 26.128 -5.053 11.982 1.00 0.00 H new ATOM 0 HA ASN A 57 25.951 -7.046 9.756 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.269 -6.597 9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.163 -6.513 11.738 1.00 0.00 H new ATOM 0 HD21 ASN A 57 29.334 -9.878 11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 57 29.666 -8.189 12.162 1.00 0.00 H new ATOM 818 N ILE A 58 24.355 -8.077 11.453 1.00 0.00 N ATOM 819 CA ILE A 58 23.383 -8.601 12.399 1.00 0.00 C ATOM 820 C ILE A 58 23.281 -10.102 12.157 1.00 0.00 C ATOM 821 O ILE A 58 22.910 -10.535 11.067 1.00 0.00 O ATOM 822 CB ILE A 58 22.072 -7.792 12.215 1.00 0.00 C ATOM 823 CG1 ILE A 58 22.321 -6.330 12.678 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.894 -8.439 12.963 1.00 0.00 C ATOM 825 CD1 ILE A 58 21.168 -5.346 12.460 1.00 0.00 C ATOM 0 H ILE A 58 24.104 -8.233 10.477 1.00 0.00 H new ATOM 0 HA ILE A 58 23.658 -8.484 13.447 1.00 0.00 H new ATOM 0 HB ILE A 58 21.793 -7.791 11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.563 -6.344 13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 58 23.199 -5.950 12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.994 -7.843 12.810 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.731 -9.447 12.582 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.121 -8.486 14.028 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.458 -4.360 12.821 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.935 -5.289 11.397 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.289 -5.688 13.006 1.00 0.00 H new ATOM 837 N ASP A 59 23.624 -10.899 13.169 1.00 0.00 N ATOM 838 CA ASP A 59 23.791 -12.340 13.043 1.00 0.00 C ATOM 839 C ASP A 59 22.942 -13.046 14.093 1.00 0.00 C ATOM 840 O ASP A 59 22.963 -12.655 15.261 1.00 0.00 O ATOM 841 CB ASP A 59 25.278 -12.664 13.228 1.00 0.00 C ATOM 842 CG ASP A 59 25.514 -14.167 13.398 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.510 -14.896 12.382 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.743 -14.595 14.549 1.00 0.00 O ATOM 0 H ASP A 59 23.795 -10.552 14.113 1.00 0.00 H new ATOM 0 HA ASP A 59 23.465 -12.685 12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.839 -12.303 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.660 -12.135 14.101 1.00 0.00 H new ATOM 849 N LYS A 60 22.183 -14.069 13.688 1.00 0.00 N ATOM 850 CA LYS A 60 21.350 -14.919 14.550 1.00 0.00 C ATOM 851 C LYS A 60 20.466 -14.128 15.529 1.00 0.00 C ATOM 852 O LYS A 60 20.191 -14.604 16.632 1.00 0.00 O ATOM 853 CB LYS A 60 22.231 -15.981 15.243 1.00 0.00 C ATOM 854 CG LYS A 60 22.871 -16.959 14.242 1.00 0.00 C ATOM 855 CD LYS A 60 23.827 -17.963 14.903 1.00 0.00 C ATOM 856 CE LYS A 60 23.098 -18.920 15.860 1.00 0.00 C ATOM 857 NZ LYS A 60 24.008 -19.946 16.429 1.00 0.00 N ATOM 0 H LYS A 60 22.129 -14.341 12.706 1.00 0.00 H new ATOM 0 HA LYS A 60 20.632 -15.436 13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 60 23.016 -15.482 15.812 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.626 -16.540 15.957 1.00 0.00 H new ATOM 0 HG2 LYS A 60 22.083 -17.505 13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.416 -16.392 13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.334 -18.541 14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 60 24.597 -17.421 15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 60 22.647 -18.347 16.670 1.00 0.00 H new ATOM 0 HE3 LYS A 60 22.285 -19.413 15.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.473 -20.568 17.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 24.419 -20.511 15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 24.770 -19.478 16.960 1.00 0.00 H new ATOM 871 N SER A 61 20.029 -12.924 15.152 1.00 0.00 N ATOM 872 CA SER A 61 19.368 -11.990 16.056 1.00 0.00 C ATOM 873 C SER A 61 17.924 -11.718 15.630 1.00 0.00 C ATOM 874 O SER A 61 17.505 -12.064 14.524 1.00 0.00 O ATOM 875 CB SER A 61 20.187 -10.695 16.128 1.00 0.00 C ATOM 876 OG SER A 61 21.472 -10.938 16.679 1.00 0.00 O ATOM 0 H SER A 61 20.127 -12.570 14.200 1.00 0.00 H new ATOM 0 HA SER A 61 19.317 -12.435 17.050 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.290 -10.269 15.130 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.660 -9.960 16.736 1.00 0.00 H new ATOM 0 HG SER A 61 21.957 -11.573 16.111 1.00 0.00 H new ATOM 882 N GLN A 62 17.169 -11.070 16.512 1.00 0.00 N ATOM 883 CA GLN A 62 15.792 -10.653 16.325 1.00 0.00 C ATOM 884 C GLN A 62 15.755 -9.169 16.687 1.00 0.00 C ATOM 885 O GLN A 62 16.209 -8.786 17.767 1.00 0.00 O ATOM 886 CB GLN A 62 14.868 -11.488 17.222 1.00 0.00 C ATOM 887 CG GLN A 62 14.757 -12.955 16.778 1.00 0.00 C ATOM 888 CD GLN A 62 13.972 -13.798 17.786 1.00 0.00 C ATOM 889 OE1 GLN A 62 14.497 -14.746 18.365 1.00 0.00 O ATOM 890 NE2 GLN A 62 12.711 -13.481 18.037 1.00 0.00 N ATOM 0 H GLN A 62 17.528 -10.808 17.430 1.00 0.00 H new ATOM 0 HA GLN A 62 15.445 -10.803 15.303 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.238 -11.452 18.247 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.874 -11.040 17.226 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.268 -13.004 15.805 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.756 -13.374 16.654 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.277 -12.694 17.555 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.173 -14.024 18.712 1.00 0.00 H new ATOM 899 N VAL A 63 15.245 -8.333 15.790 1.00 0.00 N ATOM 900 CA VAL A 63 15.340 -6.883 15.888 1.00 0.00 C ATOM 901 C VAL A 63 13.947 -6.311 15.649 1.00 0.00 C ATOM 902 O VAL A 63 13.317 -6.649 14.647 1.00 0.00 O ATOM 903 CB VAL A 63 16.359 -6.391 14.832 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.543 -4.868 14.873 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.738 -7.057 14.982 1.00 0.00 C ATOM 0 H VAL A 63 14.745 -8.651 14.960 1.00 0.00 H new ATOM 0 HA VAL A 63 15.687 -6.556 16.868 1.00 0.00 H new ATOM 0 HB VAL A 63 15.933 -6.679 13.871 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.267 -4.568 14.115 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.588 -4.381 14.676 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.905 -4.572 15.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.412 -6.674 14.216 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.145 -6.833 15.968 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.635 -8.136 14.869 1.00 0.00 H new ATOM 915 N TYR A 64 13.480 -5.429 16.537 1.00 0.00 N ATOM 916 CA TYR A 64 12.141 -4.859 16.476 1.00 0.00 C ATOM 917 C TYR A 64 12.237 -3.365 16.760 1.00 0.00 C ATOM 918 O TYR A 64 12.753 -2.974 17.806 1.00 0.00 O ATOM 919 CB TYR A 64 11.228 -5.546 17.507 1.00 0.00 C ATOM 920 CG TYR A 64 11.165 -7.059 17.395 1.00 0.00 C ATOM 921 CD1 TYR A 64 10.249 -7.672 16.518 1.00 0.00 C ATOM 922 CD2 TYR A 64 12.039 -7.856 18.160 1.00 0.00 C ATOM 923 CE1 TYR A 64 10.219 -9.072 16.387 1.00 0.00 C ATOM 924 CE2 TYR A 64 12.001 -9.255 18.049 1.00 0.00 C ATOM 925 CZ TYR A 64 11.100 -9.872 17.151 1.00 0.00 C ATOM 926 OH TYR A 64 11.092 -11.230 17.030 1.00 0.00 O ATOM 0 H TYR A 64 14.031 -5.090 17.326 1.00 0.00 H new ATOM 0 HA TYR A 64 11.712 -5.016 15.486 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.572 -5.284 18.508 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.220 -5.146 17.402 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.566 -7.064 15.943 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.741 -7.389 18.835 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.523 -9.536 15.703 1.00 0.00 H new ATOM 0 HE2 TYR A 64 12.662 -9.861 18.651 1.00 0.00 H new ATOM 0 HH TYR A 64 10.822 -11.476 16.120 1.00 0.00 H new ATOM 936 N LEU A 65 11.743 -2.531 15.842 1.00 0.00 N ATOM 937 CA LEU A 65 11.624 -1.071 15.969 1.00 0.00 C ATOM 938 C LEU A 65 12.918 -0.393 16.466 1.00 0.00 C ATOM 939 O LEU A 65 12.878 0.615 17.173 1.00 0.00 O ATOM 940 CB LEU A 65 10.353 -0.723 16.779 1.00 0.00 C ATOM 941 CG LEU A 65 9.510 0.407 16.150 1.00 0.00 C ATOM 942 CD1 LEU A 65 8.185 0.549 16.906 1.00 0.00 C ATOM 943 CD2 LEU A 65 10.211 1.768 16.100 1.00 0.00 C ATOM 0 H LEU A 65 11.397 -2.869 14.944 1.00 0.00 H new ATOM 0 HA LEU A 65 11.496 -0.641 14.976 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.736 -1.617 16.872 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.644 -0.430 17.788 1.00 0.00 H new ATOM 0 HG LEU A 65 9.344 0.110 15.114 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.594 1.348 16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.631 -0.388 16.849 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.386 0.788 17.950 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.547 2.502 15.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.462 2.085 17.112 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.123 1.686 15.509 1.00 0.00 H new ATOM 955 N THR A 66 14.075 -0.961 16.126 1.00 0.00 N ATOM 956 CA THR A 66 15.371 -0.584 16.677 1.00 0.00 C ATOM 957 C THR A 66 16.211 0.127 15.608 1.00 0.00 C ATOM 958 O THR A 66 16.062 -0.109 14.403 1.00 0.00 O ATOM 959 CB THR A 66 16.011 -1.859 17.260 1.00 0.00 C ATOM 960 OG1 THR A 66 15.308 -2.209 18.438 1.00 0.00 O ATOM 961 CG2 THR A 66 17.493 -1.772 17.620 1.00 0.00 C ATOM 0 H THR A 66 14.135 -1.715 15.442 1.00 0.00 H new ATOM 0 HA THR A 66 15.285 0.140 17.487 1.00 0.00 H new ATOM 0 HB THR A 66 15.943 -2.597 16.461 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.390 -2.465 18.208 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.827 -2.730 18.019 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.070 -1.530 16.728 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.640 -0.995 18.370 1.00 0.00 H new ATOM 969 N THR A 67 17.107 0.996 16.070 1.00 0.00 N ATOM 970 CA THR A 67 17.987 1.807 15.252 1.00 0.00 C ATOM 971 C THR A 67 19.417 1.292 15.445 1.00 0.00 C ATOM 972 O THR A 67 19.835 1.024 16.578 1.00 0.00 O ATOM 973 CB THR A 67 17.820 3.284 15.658 1.00 0.00 C ATOM 974 OG1 THR A 67 16.454 3.661 15.582 1.00 0.00 O ATOM 975 CG2 THR A 67 18.617 4.245 14.769 1.00 0.00 C ATOM 0 H THR A 67 17.240 1.156 17.068 1.00 0.00 H new ATOM 0 HA THR A 67 17.745 1.737 14.192 1.00 0.00 H new ATOM 0 HB THR A 67 18.200 3.359 16.677 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.359 4.601 15.844 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.458 5.269 15.106 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.678 4.003 14.832 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.283 4.147 13.736 1.00 0.00 H new ATOM 983 N CYS A 68 20.174 1.168 14.356 1.00 0.00 N ATOM 984 CA CYS A 68 21.527 0.628 14.355 1.00 0.00 C ATOM 985 C CYS A 68 22.388 1.511 13.467 1.00 0.00 C ATOM 986 O CYS A 68 21.986 1.821 12.345 1.00 0.00 O ATOM 987 CB CYS A 68 21.500 -0.814 13.825 1.00 0.00 C ATOM 988 SG CYS A 68 23.048 -1.734 14.005 1.00 0.00 S ATOM 0 H CYS A 68 19.853 1.448 13.429 1.00 0.00 H new ATOM 0 HA CYS A 68 21.940 0.614 15.364 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.711 -1.359 14.343 1.00 0.00 H new ATOM 0 HB3 CYS A 68 21.231 -0.790 12.769 1.00 0.00 H new ATOM 993 N THR A 69 23.573 1.889 13.941 1.00 0.00 N ATOM 994 CA THR A 69 24.504 2.713 13.186 1.00 0.00 C ATOM 995 C THR A 69 25.898 2.130 13.394 1.00 0.00 C ATOM 996 O THR A 69 26.387 2.118 14.524 1.00 0.00 O ATOM 997 CB THR A 69 24.413 4.180 13.661 1.00 0.00 C ATOM 998 OG1 THR A 69 23.068 4.606 13.808 1.00 0.00 O ATOM 999 CG2 THR A 69 25.104 5.130 12.677 1.00 0.00 C ATOM 0 H THR A 69 23.913 1.628 14.867 1.00 0.00 H new ATOM 0 HA THR A 69 24.266 2.712 12.122 1.00 0.00 H new ATOM 0 HB THR A 69 24.914 4.214 14.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 23.051 5.538 14.111 1.00 0.00 H new ATOM 0 HG21 THR A 69 25.022 6.154 13.041 1.00 0.00 H new ATOM 0 HG22 THR A 69 26.156 4.860 12.589 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.626 5.053 11.700 1.00 0.00 H new ATOM 1007 N GLY A 70 26.534 1.627 12.335 1.00 0.00 N ATOM 1008 CA GLY A 70 27.927 1.190 12.376 1.00 0.00 C ATOM 1009 C GLY A 70 28.195 0.168 13.483 1.00 0.00 C ATOM 1010 O GLY A 70 29.218 0.277 14.159 1.00 0.00 O ATOM 0 H GLY A 70 26.094 1.512 11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.195 0.755 11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.571 2.057 12.524 1.00 0.00 H new ATOM 1014 N SER A 71 27.264 -0.762 13.725 1.00 0.00 N ATOM 1015 CA SER A 71 27.293 -1.655 14.878 1.00 0.00 C ATOM 1016 C SER A 71 27.078 -3.111 14.468 1.00 0.00 C ATOM 1017 O SER A 71 26.701 -3.401 13.332 1.00 0.00 O ATOM 1018 CB SER A 71 26.231 -1.227 15.900 1.00 0.00 C ATOM 1019 OG SER A 71 26.453 0.091 16.365 1.00 0.00 O ATOM 0 H SER A 71 26.461 -0.914 13.115 1.00 0.00 H new ATOM 0 HA SER A 71 28.281 -1.583 15.333 1.00 0.00 H new ATOM 0 HB2 SER A 71 25.242 -1.291 15.446 1.00 0.00 H new ATOM 0 HB3 SER A 71 26.239 -1.917 16.744 1.00 0.00 H new ATOM 0 HG SER A 71 26.468 0.708 15.604 1.00 0.00 H new ATOM 1025 N GLN A 72 27.290 -4.043 15.395 1.00 0.00 N ATOM 1026 CA GLN A 72 27.156 -5.468 15.138 1.00 0.00 C ATOM 1027 C GLN A 72 26.254 -6.086 16.193 1.00 0.00 C ATOM 1028 O GLN A 72 26.393 -5.760 17.373 1.00 0.00 O ATOM 1029 CB GLN A 72 28.524 -6.163 15.158 1.00 0.00 C ATOM 1030 CG GLN A 72 29.589 -5.469 14.303 1.00 0.00 C ATOM 1031 CD GLN A 72 30.814 -6.364 14.173 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.945 -7.112 13.203 1.00 0.00 O ATOM 1033 NE2 GLN A 72 31.700 -6.342 15.156 1.00 0.00 N ATOM 0 H GLN A 72 27.562 -3.824 16.353 1.00 0.00 H new ATOM 0 HA GLN A 72 26.719 -5.603 14.148 1.00 0.00 H new ATOM 0 HB2 GLN A 72 28.878 -6.216 16.188 1.00 0.00 H new ATOM 0 HB3 GLN A 72 28.404 -7.188 14.809 1.00 0.00 H new ATOM 0 HG2 GLN A 72 29.186 -5.245 13.316 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.869 -4.518 14.757 1.00 0.00 H new ATOM 0 HE21 GLN A 72 31.568 -5.713 15.948 1.00 0.00 H new ATOM 0 HE22 GLN A 72 32.515 -6.954 15.122 1.00 0.00 H new ATOM 1042 N TYR A 73 25.387 -7.013 15.787 1.00 0.00 N ATOM 1043 CA TYR A 73 24.603 -7.833 16.707 1.00 0.00 C ATOM 1044 C TYR A 73 24.967 -9.292 16.444 1.00 0.00 C ATOM 1045 O TYR A 73 25.087 -9.685 15.283 1.00 0.00 O ATOM 1046 CB TYR A 73 23.090 -7.663 16.485 1.00 0.00 C ATOM 1047 CG TYR A 73 22.456 -6.281 16.584 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.099 -5.190 17.202 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.162 -6.101 16.053 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.497 -3.921 17.217 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.543 -4.842 16.081 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.215 -3.742 16.653 1.00 0.00 C ATOM 1053 OH TYR A 73 20.616 -2.524 16.663 1.00 0.00 O ATOM 0 H TYR A 73 25.208 -7.217 14.804 1.00 0.00 H new ATOM 0 HA TYR A 73 24.828 -7.527 17.729 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.862 -8.054 15.493 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.583 -8.305 17.205 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.063 -5.331 17.668 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.641 -6.942 15.620 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.014 -3.083 17.660 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.554 -4.716 15.665 1.00 0.00 H new ATOM 0 HH TYR A 73 21.230 -1.861 17.042 1.00 0.00 H new ATOM 1063 N ASN A 74 25.088 -10.104 17.491 1.00 0.00 N ATOM 1064 CA ASN A 74 25.225 -11.552 17.383 1.00 0.00 C ATOM 1065 C ASN A 74 24.371 -12.199 18.474 1.00 0.00 C ATOM 1066 O ASN A 74 24.648 -12.013 19.660 1.00 0.00 O ATOM 1067 CB ASN A 74 26.702 -11.966 17.526 1.00 0.00 C ATOM 1068 CG ASN A 74 26.862 -13.409 18.011 1.00 0.00 C ATOM 1069 OD1 ASN A 74 27.304 -13.647 19.131 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.509 -14.406 17.215 1.00 0.00 N ATOM 0 H ASN A 74 25.094 -9.768 18.454 1.00 0.00 H new ATOM 0 HA ASN A 74 24.884 -11.887 16.403 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.203 -11.852 16.565 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.198 -11.294 18.226 1.00 0.00 H new ATOM 0 HD21 ASN A 74 26.604 -15.371 17.533 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.142 -14.210 16.284 1.00 0.00 H new ATOM 1077 N GLY A 75 23.364 -12.980 18.088 1.00 0.00 N ATOM 1078 CA GLY A 75 22.548 -13.751 19.015 1.00 0.00 C ATOM 1079 C GLY A 75 21.772 -12.881 20.003 1.00 0.00 C ATOM 1080 O GLY A 75 21.768 -13.199 21.197 1.00 0.00 O ATOM 0 H GLY A 75 23.091 -13.094 17.112 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.845 -14.361 18.448 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.189 -14.436 19.570 1.00 0.00 H new ATOM 1084 N ILE A 76 21.147 -11.788 19.550 1.00 0.00 N ATOM 1085 CA ILE A 76 20.434 -10.859 20.432 1.00 0.00 C ATOM 1086 C ILE A 76 18.948 -10.783 20.067 1.00 0.00 C ATOM 1087 O ILE A 76 18.543 -11.134 18.963 1.00 0.00 O ATOM 1088 CB ILE A 76 21.123 -9.467 20.503 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.608 -8.449 19.457 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.659 -9.585 20.438 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.206 -7.047 19.631 1.00 0.00 C ATOM 0 H ILE A 76 21.122 -11.524 18.565 1.00 0.00 H new ATOM 0 HA ILE A 76 20.486 -11.256 21.446 1.00 0.00 H new ATOM 0 HB ILE A 76 20.842 -9.066 21.477 1.00 0.00 H new ATOM 0 HG12 ILE A 76 20.842 -8.815 18.457 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.522 -8.385 19.526 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.103 -8.591 20.490 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.014 -10.185 21.276 1.00 0.00 H new ATOM 0 HG23 ILE A 76 22.948 -10.062 19.502 1.00 0.00 H new ATOM 0 HD11 ILE A 76 20.804 -6.382 18.866 1.00 0.00 H new ATOM 0 HD12 ILE A 76 20.950 -6.662 20.618 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.290 -7.099 19.532 1.00 0.00 H new ATOM 1103 N TYR A 77 18.152 -10.252 20.985 1.00 0.00 N ATOM 1104 CA TYR A 77 16.746 -9.932 20.846 1.00 0.00 C ATOM 1105 C TYR A 77 16.651 -8.488 21.328 1.00 0.00 C ATOM 1106 O TYR A 77 16.956 -8.222 22.491 1.00 0.00 O ATOM 1107 CB TYR A 77 15.943 -10.923 21.703 1.00 0.00 C ATOM 1108 CG TYR A 77 14.458 -10.641 21.837 1.00 0.00 C ATOM 1109 CD1 TYR A 77 13.994 -9.819 22.881 1.00 0.00 C ATOM 1110 CD2 TYR A 77 13.534 -11.258 20.971 1.00 0.00 C ATOM 1111 CE1 TYR A 77 12.617 -9.619 23.065 1.00 0.00 C ATOM 1112 CE2 TYR A 77 12.152 -11.054 21.144 1.00 0.00 C ATOM 1113 CZ TYR A 77 11.685 -10.233 22.196 1.00 0.00 C ATOM 1114 OH TYR A 77 10.349 -10.034 22.390 1.00 0.00 O ATOM 0 H TYR A 77 18.503 -10.018 21.914 1.00 0.00 H new ATOM 0 HA TYR A 77 16.344 -10.016 19.836 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.066 -11.920 21.280 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.379 -10.945 22.702 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.700 -9.340 23.543 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.888 -11.891 20.170 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.268 -8.994 23.873 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.448 -11.525 20.473 1.00 0.00 H new ATOM 0 HH TYR A 77 9.843 -10.523 21.708 1.00 0.00 H new ATOM 1124 N ILE A 78 16.328 -7.540 20.447 1.00 0.00 N ATOM 1125 CA ILE A 78 16.421 -6.115 20.757 1.00 0.00 C ATOM 1126 C ILE A 78 15.147 -5.403 20.313 1.00 0.00 C ATOM 1127 O ILE A 78 14.648 -5.659 19.212 1.00 0.00 O ATOM 1128 CB ILE A 78 17.728 -5.523 20.183 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.885 -4.052 20.621 1.00 0.00 C ATOM 1130 CG2 ILE A 78 17.833 -5.669 18.653 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.313 -3.513 20.463 1.00 0.00 C ATOM 0 H ILE A 78 15.996 -7.738 19.503 1.00 0.00 H new ATOM 0 HA ILE A 78 16.486 -5.961 21.834 1.00 0.00 H new ATOM 0 HB ILE A 78 18.553 -6.104 20.595 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.205 -3.433 20.036 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.584 -3.958 21.664 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.772 -5.235 18.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.802 -6.725 18.385 1.00 0.00 H new ATOM 0 HG23 ILE A 78 16.999 -5.151 18.180 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.348 -2.474 20.790 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.996 -4.108 21.070 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.611 -3.574 19.416 1.00 0.00 H new ATOM 1143 N ARG A 79 14.606 -4.530 21.172 1.00 0.00 N ATOM 1144 CA ARG A 79 13.317 -3.883 20.941 1.00 0.00 C ATOM 1145 C ARG A 79 13.424 -2.396 21.202 1.00 0.00 C ATOM 1146 O ARG A 79 13.946 -2.009 22.249 1.00 0.00 O ATOM 1147 CB ARG A 79 12.243 -4.462 21.881 1.00 0.00 C ATOM 1148 CG ARG A 79 12.137 -5.986 21.796 1.00 0.00 C ATOM 1149 CD ARG A 79 10.934 -6.528 22.572 1.00 0.00 C ATOM 1150 NE ARG A 79 11.137 -6.438 24.028 1.00 0.00 N ATOM 1151 CZ ARG A 79 10.463 -7.113 24.966 1.00 0.00 C ATOM 1152 NH1 ARG A 79 9.573 -8.045 24.636 1.00 0.00 N ATOM 1153 NH2 ARG A 79 10.712 -6.841 26.240 1.00 0.00 N ATOM 0 H ARG A 79 15.053 -4.255 22.046 1.00 0.00 H new ATOM 0 HA ARG A 79 13.035 -4.063 19.904 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.473 -4.175 22.907 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.277 -4.021 21.636 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.057 -6.285 20.751 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.051 -6.434 22.187 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.040 -5.969 22.294 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.759 -7.567 22.293 1.00 0.00 H new ATOM 0 HE ARG A 79 11.862 -5.799 24.353 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.395 -8.255 23.654 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.069 -8.549 25.365 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.403 -6.132 26.484 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.212 -7.341 26.975 1.00 0.00 H new ATOM 1167 N SER A 80 12.873 -1.580 20.308 1.00 0.00 N ATOM 1168 CA SER A 80 12.683 -0.145 20.493 1.00 0.00 C ATOM 1169 C SER A 80 13.944 0.590 20.981 1.00 0.00 C ATOM 1170 O SER A 80 13.839 1.544 21.756 1.00 0.00 O ATOM 1171 CB SER A 80 11.476 0.040 21.422 1.00 0.00 C ATOM 1172 OG SER A 80 10.335 -0.634 20.906 1.00 0.00 O ATOM 0 H SER A 80 12.535 -1.911 19.404 1.00 0.00 H new ATOM 0 HA SER A 80 12.485 0.322 19.528 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.713 -0.344 22.414 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.257 1.102 21.534 1.00 0.00 H new ATOM 0 HG SER A 80 9.577 -0.505 21.513 1.00 0.00 H new ATOM 1178 N SER A 81 15.131 0.142 20.565 1.00 0.00 N ATOM 1179 CA SER A 81 16.407 0.601 21.108 1.00 0.00 C ATOM 1180 C SER A 81 17.254 1.303 20.041 1.00 0.00 C ATOM 1181 O SER A 81 16.876 1.350 18.870 1.00 0.00 O ATOM 1182 CB SER A 81 17.132 -0.601 21.723 1.00 0.00 C ATOM 1183 OG SER A 81 16.409 -1.103 22.833 1.00 0.00 O ATOM 0 H SER A 81 15.232 -0.559 19.831 1.00 0.00 H new ATOM 0 HA SER A 81 16.230 1.346 21.884 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.250 -1.384 20.974 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.134 -0.307 22.037 1.00 0.00 H new ATOM 0 HG SER A 81 15.527 -1.410 22.537 1.00 0.00 H new ATOM 1189 N THR A 82 18.404 1.849 20.438 1.00 0.00 N ATOM 1190 CA THR A 82 19.345 2.528 19.555 1.00 0.00 C ATOM 1191 C THR A 82 20.758 2.028 19.877 1.00 0.00 C ATOM 1192 O THR A 82 21.098 1.824 21.045 1.00 0.00 O ATOM 1193 CB THR A 82 19.199 4.051 19.736 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.869 4.459 19.469 1.00 0.00 O ATOM 1195 CG2 THR A 82 20.121 4.855 18.809 1.00 0.00 C ATOM 0 H THR A 82 18.712 1.829 21.410 1.00 0.00 H new ATOM 0 HA THR A 82 19.141 2.307 18.507 1.00 0.00 H new ATOM 0 HB THR A 82 19.476 4.252 20.771 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.794 5.429 19.590 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.972 5.921 18.983 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.160 4.595 19.014 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.887 4.621 17.771 1.00 0.00 H new ATOM 1203 N THR A 83 21.583 1.849 18.847 1.00 0.00 N ATOM 1204 CA THR A 83 22.957 1.369 18.948 1.00 0.00 C ATOM 1205 C THR A 83 23.809 2.193 17.975 1.00 0.00 C ATOM 1206 O THR A 83 23.319 2.604 16.914 1.00 0.00 O ATOM 1207 CB THR A 83 23.001 -0.149 18.677 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.178 -0.512 17.581 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.521 -0.964 19.882 1.00 0.00 C ATOM 0 H THR A 83 21.302 2.042 17.886 1.00 0.00 H new ATOM 0 HA THR A 83 23.365 1.503 19.950 1.00 0.00 H new ATOM 0 HB THR A 83 24.046 -0.371 18.462 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.468 0.154 17.470 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.569 -2.027 19.645 1.00 0.00 H new ATOM 0 HG22 THR A 83 23.159 -0.754 20.741 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.493 -0.692 20.119 1.00 0.00 H new ATOM 1217 N THR A 84 25.049 2.518 18.337 1.00 0.00 N ATOM 1218 CA THR A 84 25.938 3.365 17.550 1.00 0.00 C ATOM 1219 C THR A 84 27.394 2.997 17.870 1.00 0.00 C ATOM 1220 O THR A 84 27.839 3.119 19.014 1.00 0.00 O ATOM 1221 CB THR A 84 25.627 4.848 17.839 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.283 5.151 17.504 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.518 5.809 17.043 1.00 0.00 C ATOM 0 H THR A 84 25.471 2.191 19.206 1.00 0.00 H new ATOM 0 HA THR A 84 25.782 3.204 16.483 1.00 0.00 H new ATOM 0 HB THR A 84 25.814 4.985 18.904 1.00 0.00 H new ATOM 0 HG1 THR A 84 24.103 6.095 17.695 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.253 6.838 17.288 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.563 5.633 17.299 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.372 5.641 15.976 1.00 0.00 H new ATOM 1231 N GLY A 85 28.151 2.571 16.855 1.00 0.00 N ATOM 1232 CA GLY A 85 29.550 2.184 16.997 1.00 0.00 C ATOM 1233 C GLY A 85 29.725 1.083 18.038 1.00 0.00 C ATOM 1234 O GLY A 85 30.670 1.134 18.822 1.00 0.00 O ATOM 0 H GLY A 85 27.801 2.486 15.901 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.933 1.841 16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.141 3.054 17.283 1.00 0.00 H new ATOM 1238 N THR A 86 28.837 0.094 18.058 1.00 0.00 N ATOM 1239 CA THR A 86 28.722 -0.906 19.116 1.00 0.00 C ATOM 1240 C THR A 86 28.879 -2.329 18.576 1.00 0.00 C ATOM 1241 O THR A 86 28.732 -2.578 17.383 1.00 0.00 O ATOM 1242 CB THR A 86 27.335 -0.764 19.796 1.00 0.00 C ATOM 1243 OG1 THR A 86 26.432 0.123 19.154 1.00 0.00 O ATOM 1244 CG2 THR A 86 27.438 -0.232 21.214 1.00 0.00 C ATOM 0 H THR A 86 28.154 -0.039 17.312 1.00 0.00 H new ATOM 0 HA THR A 86 29.523 -0.733 19.834 1.00 0.00 H new ATOM 0 HB THR A 86 26.958 -1.786 19.746 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.428 -0.055 18.190 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.440 -0.151 21.646 1.00 0.00 H new ATOM 0 HG22 THR A 86 28.039 -0.914 21.816 1.00 0.00 H new ATOM 0 HG23 THR A 86 27.908 0.751 21.200 1.00 0.00 H new ATOM 1252 N SER A 87 29.146 -3.290 19.451 1.00 0.00 N ATOM 1253 CA SER A 87 29.092 -4.710 19.145 1.00 0.00 C ATOM 1254 C SER A 87 28.389 -5.351 20.342 1.00 0.00 C ATOM 1255 O SER A 87 28.790 -5.135 21.489 1.00 0.00 O ATOM 1256 CB SER A 87 30.494 -5.255 18.861 1.00 0.00 C ATOM 1257 OG SER A 87 30.943 -4.789 17.597 1.00 0.00 O ATOM 0 H SER A 87 29.412 -3.097 20.416 1.00 0.00 H new ATOM 0 HA SER A 87 28.536 -4.937 18.235 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.184 -4.936 19.643 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.480 -6.345 18.873 1.00 0.00 H new ATOM 0 HG SER A 87 30.293 -4.152 17.233 1.00 0.00 H new ATOM 1263 N ILE A 88 27.295 -6.061 20.072 1.00 0.00 N ATOM 1264 CA ILE A 88 26.362 -6.576 21.063 1.00 0.00 C ATOM 1265 C ILE A 88 26.311 -8.089 20.844 1.00 0.00 C ATOM 1266 O ILE A 88 26.055 -8.540 19.722 1.00 0.00 O ATOM 1267 CB ILE A 88 24.954 -5.951 20.875 1.00 0.00 C ATOM 1268 CG1 ILE A 88 24.894 -4.437 20.551 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.081 -6.271 22.097 1.00 0.00 C ATOM 1270 CD1 ILE A 88 25.366 -3.490 21.660 1.00 0.00 C ATOM 0 H ILE A 88 27.027 -6.301 19.118 1.00 0.00 H new ATOM 0 HA ILE A 88 26.683 -6.327 22.075 1.00 0.00 H new ATOM 0 HB ILE A 88 24.570 -6.420 19.969 1.00 0.00 H new ATOM 0 HG12 ILE A 88 25.498 -4.252 19.662 1.00 0.00 H new ATOM 0 HG13 ILE A 88 23.865 -4.181 20.296 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.093 -5.831 21.963 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.986 -7.352 22.203 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.544 -5.858 22.993 1.00 0.00 H new ATOM 0 HD11 ILE A 88 25.279 -2.458 21.319 1.00 0.00 H new ATOM 0 HD12 ILE A 88 24.749 -3.633 22.547 1.00 0.00 H new ATOM 0 HD13 ILE A 88 26.407 -3.705 21.903 1.00 0.00 H new ATOM 1282 N SER A 89 26.530 -8.862 21.904 1.00 0.00 N ATOM 1283 CA SER A 89 26.649 -10.312 21.836 1.00 0.00 C ATOM 1284 C SER A 89 25.913 -10.951 23.016 1.00 0.00 C ATOM 1285 O SER A 89 25.573 -10.267 23.984 1.00 0.00 O ATOM 1286 CB SER A 89 28.137 -10.700 21.833 1.00 0.00 C ATOM 1287 OG SER A 89 28.848 -10.048 20.791 1.00 0.00 O ATOM 0 H SER A 89 26.631 -8.491 22.849 1.00 0.00 H new ATOM 0 HA SER A 89 26.193 -10.679 20.917 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.582 -10.442 22.794 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.231 -11.780 21.718 1.00 0.00 H new ATOM 0 HG SER A 89 29.790 -10.316 20.820 1.00 0.00 H new ATOM 1321 N CYS A 93 21.084 -12.738 24.309 1.00 0.00 N ATOM 1322 CA CYS A 93 21.038 -11.372 24.805 1.00 0.00 C ATOM 1323 C CYS A 93 19.649 -10.799 24.539 1.00 0.00 C ATOM 1324 O CYS A 93 19.060 -11.068 23.492 1.00 0.00 O ATOM 1325 CB CYS A 93 22.144 -10.579 24.097 1.00 0.00 C ATOM 1326 SG CYS A 93 22.083 -8.770 24.190 1.00 0.00 S ATOM 0 HA CYS A 93 21.211 -11.320 25.880 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.101 -10.903 24.505 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.135 -10.860 23.044 1.00 0.00 H new ATOM 1331 N SER A 94 19.162 -9.973 25.455 1.00 0.00 N ATOM 1332 CA SER A 94 17.837 -9.389 25.441 1.00 0.00 C ATOM 1333 C SER A 94 17.984 -7.922 25.842 1.00 0.00 C ATOM 1334 O SER A 94 18.579 -7.636 26.881 1.00 0.00 O ATOM 1335 CB SER A 94 16.967 -10.156 26.441 1.00 0.00 C ATOM 1336 OG SER A 94 16.745 -11.488 26.001 1.00 0.00 O ATOM 0 H SER A 94 19.710 -9.681 26.264 1.00 0.00 H new ATOM 0 HA SER A 94 17.367 -9.448 24.459 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.452 -10.167 27.417 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.012 -9.646 26.565 1.00 0.00 H new ATOM 0 HG SER A 94 16.189 -11.960 26.655 1.00 0.00 H new ATOM 1342 N ILE A 95 17.471 -6.999 25.025 1.00 0.00 N ATOM 1343 CA ILE A 95 17.555 -5.554 25.226 1.00 0.00 C ATOM 1344 C ILE A 95 16.183 -4.974 24.874 1.00 0.00 C ATOM 1345 O ILE A 95 15.602 -5.317 23.841 1.00 0.00 O ATOM 1346 CB ILE A 95 18.679 -4.942 24.346 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.075 -5.448 24.765 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.671 -3.399 24.410 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.191 -5.142 23.763 1.00 0.00 C ATOM 0 H ILE A 95 16.967 -7.249 24.174 1.00 0.00 H new ATOM 0 HA ILE A 95 17.809 -5.315 26.259 1.00 0.00 H new ATOM 0 HB ILE A 95 18.475 -5.264 23.325 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.335 -5.003 25.725 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.026 -6.526 24.916 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.470 -3.005 23.783 1.00 0.00 H new ATOM 0 HG22 ILE A 95 17.711 -3.025 24.053 1.00 0.00 H new ATOM 0 HG23 ILE A 95 18.825 -3.077 25.440 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.136 -5.534 24.140 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.960 -5.610 22.806 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.274 -4.063 23.628 1.00 0.00 H new ATOM 1361 N SER A 96 15.682 -4.056 25.697 1.00 0.00 N ATOM 1362 CA SER A 96 14.484 -3.292 25.396 1.00 0.00 C ATOM 1363 C SER A 96 14.708 -1.829 25.759 1.00 0.00 C ATOM 1364 O SER A 96 15.341 -1.522 26.777 1.00 0.00 O ATOM 1365 CB SER A 96 13.285 -3.853 26.165 1.00 0.00 C ATOM 1366 OG SER A 96 13.059 -5.214 25.842 1.00 0.00 O ATOM 0 H SER A 96 16.102 -3.823 26.597 1.00 0.00 H new ATOM 0 HA SER A 96 14.272 -3.368 24.330 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.459 -3.755 27.237 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.395 -3.269 25.932 1.00 0.00 H new ATOM 0 HG SER A 96 13.290 -5.775 26.611 1.00 0.00 H new ATOM 1372 N THR A 97 14.131 -0.961 24.926 1.00 0.00 N ATOM 1373 CA THR A 97 13.999 0.481 25.128 1.00 0.00 C ATOM 1374 C THR A 97 15.281 1.155 25.662 1.00 0.00 C ATOM 1375 O THR A 97 15.222 1.990 26.566 1.00 0.00 O ATOM 1376 CB THR A 97 12.720 0.769 25.947 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.591 -0.081 27.072 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.453 0.557 25.116 1.00 0.00 C ATOM 0 H THR A 97 13.720 -1.264 24.043 1.00 0.00 H new ATOM 0 HA THR A 97 13.876 0.960 24.156 1.00 0.00 H new ATOM 0 HB THR A 97 12.823 1.808 26.260 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.219 0.202 27.769 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.577 0.770 25.728 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.466 1.226 24.256 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.413 -0.476 24.771 1.00 0.00 H new ATOM 1386 N CYS A 98 16.449 0.791 25.119 1.00 0.00 N ATOM 1387 CA CYS A 98 17.750 1.255 25.588 1.00 0.00 C ATOM 1388 C CYS A 98 18.461 2.054 24.488 1.00 0.00 C ATOM 1389 O CYS A 98 18.107 1.969 23.313 1.00 0.00 O ATOM 1390 CB CYS A 98 18.586 0.041 26.022 1.00 0.00 C ATOM 1391 SG CYS A 98 20.024 0.452 27.050 1.00 0.00 S ATOM 0 H CYS A 98 16.512 0.153 24.326 1.00 0.00 H new ATOM 0 HA CYS A 98 17.619 1.919 26.443 1.00 0.00 H new ATOM 0 HB2 CYS A 98 17.946 -0.648 26.573 1.00 0.00 H new ATOM 0 HB3 CYS A 98 18.929 -0.486 25.132 1.00 0.00 H new ATOM 1396 N THR A 99 19.512 2.787 24.853 1.00 0.00 N ATOM 1397 CA THR A 99 20.422 3.432 23.918 1.00 0.00 C ATOM 1398 C THR A 99 21.820 3.019 24.361 1.00 0.00 C ATOM 1399 O THR A 99 22.136 3.107 25.548 1.00 0.00 O ATOM 1400 CB THR A 99 20.211 4.957 23.940 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.876 5.268 23.581 1.00 0.00 O ATOM 1402 CG2 THR A 99 21.143 5.700 22.975 1.00 0.00 C ATOM 0 H THR A 99 19.757 2.950 25.830 1.00 0.00 H new ATOM 0 HA THR A 99 20.253 3.131 22.884 1.00 0.00 H new ATOM 0 HB THR A 99 20.435 5.282 24.956 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.750 6.240 23.599 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.949 6.771 23.034 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.180 5.504 23.247 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.963 5.354 21.957 1.00 0.00 H new ATOM 1410 N ILE A 100 22.655 2.557 23.435 1.00 0.00 N ATOM 1411 CA ILE A 100 23.996 2.062 23.721 1.00 0.00 C ATOM 1412 C ILE A 100 24.903 2.706 22.671 1.00 0.00 C ATOM 1413 O ILE A 100 24.494 2.895 21.524 1.00 0.00 O ATOM 1414 CB ILE A 100 24.026 0.508 23.681 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.844 -0.134 24.455 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.361 -0.040 24.226 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.848 -1.667 24.495 1.00 0.00 C ATOM 0 H ILE A 100 22.413 2.516 22.445 1.00 0.00 H new ATOM 0 HA ILE A 100 24.335 2.325 24.723 1.00 0.00 H new ATOM 0 HB ILE A 100 23.925 0.232 22.631 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.854 0.241 25.479 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.910 0.200 24.003 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.351 -1.129 24.185 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.184 0.339 23.620 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.492 0.283 25.259 1.00 0.00 H new ATOM 0 HD11 ILE A 100 21.983 -2.019 25.058 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.802 -2.058 23.478 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.761 -2.016 24.977 1.00 0.00 H new ATOM 1429 N THR A 101 26.123 3.085 23.041 1.00 0.00 N ATOM 1430 CA THR A 101 27.083 3.677 22.119 1.00 0.00 C ATOM 1431 C THR A 101 28.484 3.258 22.565 1.00 0.00 C ATOM 1432 O THR A 101 28.770 3.254 23.763 1.00 0.00 O ATOM 1433 CB THR A 101 26.881 5.206 22.096 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.577 5.515 21.633 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.876 5.952 21.200 1.00 0.00 C ATOM 0 H THR A 101 26.474 2.989 23.994 1.00 0.00 H new ATOM 0 HA THR A 101 26.941 3.328 21.096 1.00 0.00 H new ATOM 0 HB THR A 101 27.041 5.534 23.123 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.455 6.487 21.623 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.668 7.021 21.237 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.891 5.767 21.551 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.777 5.599 20.174 1.00 0.00 H new ATOM 1443 N ARG A 102 29.340 2.869 21.609 1.00 0.00 N ATOM 1444 CA ARG A 102 30.703 2.354 21.831 1.00 0.00 C ATOM 1445 C ARG A 102 30.823 1.460 23.075 1.00 0.00 C ATOM 1446 O ARG A 102 31.701 1.656 23.914 1.00 0.00 O ATOM 1447 CB ARG A 102 31.722 3.508 21.798 1.00 0.00 C ATOM 1448 CG ARG A 102 31.697 4.239 20.440 1.00 0.00 C ATOM 1449 CD ARG A 102 32.995 4.986 20.090 1.00 0.00 C ATOM 1450 NE ARG A 102 34.205 4.132 20.075 1.00 0.00 N ATOM 1451 CZ ARG A 102 34.465 3.083 19.280 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.596 2.636 18.384 1.00 0.00 N ATOM 1453 NH2 ARG A 102 35.612 2.427 19.373 1.00 0.00 N ATOM 0 H ARG A 102 29.094 2.905 20.620 1.00 0.00 H new ATOM 0 HA ARG A 102 30.943 1.684 21.005 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.500 4.215 22.598 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.722 3.118 21.985 1.00 0.00 H new ATOM 0 HG2 ARG A 102 31.489 3.512 19.655 1.00 0.00 H new ATOM 0 HG3 ARG A 102 30.872 4.952 20.441 1.00 0.00 H new ATOM 0 HD2 ARG A 102 32.880 5.450 19.111 1.00 0.00 H new ATOM 0 HD3 ARG A 102 33.142 5.792 20.809 1.00 0.00 H new ATOM 0 HE ARG A 102 34.930 4.371 20.752 1.00 0.00 H new ATOM 0 HH11 ARG A 102 32.690 3.093 18.280 1.00 0.00 H new ATOM 0 HH12 ARG A 102 33.833 1.835 17.799 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.312 2.718 20.056 1.00 0.00 H new ATOM 0 HH22 ARG A 102 35.795 1.631 18.762 1.00 0.00 H new ATOM 1467 N GLY A 103 29.931 0.473 23.199 1.00 0.00 N ATOM 1468 CA GLY A 103 30.000 -0.541 24.247 1.00 0.00 C ATOM 1469 C GLY A 103 29.494 -0.077 25.615 1.00 0.00 C ATOM 1470 O GLY A 103 29.606 -0.845 26.570 1.00 0.00 O ATOM 0 H GLY A 103 29.137 0.357 22.569 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.419 -1.409 23.934 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.034 -0.870 24.349 1.00 0.00 H new ATOM 1474 N VAL A 104 28.929 1.128 25.735 1.00 0.00 N ATOM 1475 CA VAL A 104 28.444 1.680 26.998 1.00 0.00 C ATOM 1476 C VAL A 104 26.945 1.948 26.840 1.00 0.00 C ATOM 1477 O VAL A 104 26.529 2.656 25.920 1.00 0.00 O ATOM 1478 CB VAL A 104 29.257 2.946 27.359 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.810 3.545 28.701 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.765 2.649 27.456 1.00 0.00 C ATOM 0 H VAL A 104 28.795 1.756 24.942 1.00 0.00 H new ATOM 0 HA VAL A 104 28.581 0.985 27.827 1.00 0.00 H new ATOM 0 HB VAL A 104 29.071 3.657 26.554 1.00 0.00 H new ATOM 0 HG11 VAL A 104 29.404 4.432 28.919 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.756 3.819 28.644 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.952 2.810 29.493 1.00 0.00 H new ATOM 0 HG21 VAL A 104 31.300 3.564 27.711 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.939 1.899 28.228 1.00 0.00 H new ATOM 0 HG23 VAL A 104 31.124 2.274 26.498 1.00 0.00 H new ATOM 1490 N ALA A 105 26.126 1.352 27.714 1.00 0.00 N ATOM 1491 CA ALA A 105 24.699 1.645 27.786 1.00 0.00 C ATOM 1492 C ALA A 105 24.509 3.036 28.397 1.00 0.00 C ATOM 1493 O ALA A 105 25.203 3.407 29.346 1.00 0.00 O ATOM 1494 CB ALA A 105 23.982 0.578 28.622 1.00 0.00 C ATOM 0 H ALA A 105 26.438 0.654 28.389 1.00 0.00 H new ATOM 0 HA ALA A 105 24.267 1.632 26.786 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.917 0.807 28.669 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.123 -0.400 28.162 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.395 0.567 29.630 1.00 0.00 H new ATOM 1548 N ALA A 110 14.304 3.591 31.157 1.00 0.00 N ATOM 1549 CA ALA A 110 13.680 2.770 30.126 1.00 0.00 C ATOM 1550 C ALA A 110 14.579 1.608 29.689 1.00 0.00 C ATOM 1551 O ALA A 110 14.051 0.580 29.256 1.00 0.00 O ATOM 1552 CB ALA A 110 13.333 3.651 28.920 1.00 0.00 C ATOM 0 HA ALA A 110 12.774 2.334 30.545 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.866 3.041 28.146 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.643 4.436 29.229 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.243 4.103 28.526 1.00 0.00 H new ATOM 1558 N CYS A 111 15.907 1.735 29.809 1.00 0.00 N ATOM 1559 CA CYS A 111 16.825 0.693 29.371 1.00 0.00 C ATOM 1560 C CYS A 111 16.605 -0.554 30.229 1.00 0.00 C ATOM 1561 O CYS A 111 16.656 -0.481 31.460 1.00 0.00 O ATOM 1562 CB CYS A 111 18.283 1.164 29.484 1.00 0.00 C ATOM 1563 SG CYS A 111 19.494 -0.078 28.944 1.00 0.00 S ATOM 0 H CYS A 111 16.364 2.555 30.208 1.00 0.00 H new ATOM 0 HA CYS A 111 16.629 0.461 28.324 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.411 2.067 28.888 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.489 1.434 30.520 1.00 0.00 H new ATOM 1568 N LYS A 112 16.417 -1.703 29.579 1.00 0.00 N ATOM 1569 CA LYS A 112 16.354 -3.014 30.216 1.00 0.00 C ATOM 1570 C LYS A 112 17.251 -3.932 29.399 1.00 0.00 C ATOM 1571 O LYS A 112 17.200 -3.891 28.168 1.00 0.00 O ATOM 1572 CB LYS A 112 14.901 -3.518 30.229 1.00 0.00 C ATOM 1573 CG LYS A 112 14.004 -2.722 31.196 1.00 0.00 C ATOM 1574 CD LYS A 112 12.515 -3.087 31.068 1.00 0.00 C ATOM 1575 CE LYS A 112 11.894 -2.651 29.728 1.00 0.00 C ATOM 1576 NZ LYS A 112 11.810 -1.177 29.582 1.00 0.00 N ATOM 0 H LYS A 112 16.301 -1.746 28.566 1.00 0.00 H new ATOM 0 HA LYS A 112 16.689 -2.979 31.253 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.489 -3.453 29.222 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.888 -4.571 30.512 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.331 -2.904 32.220 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.129 -1.656 31.006 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.402 -4.165 31.179 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.963 -2.622 31.885 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.487 -3.059 28.909 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.894 -3.077 29.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.952 -0.918 28.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.874 -0.850 29.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.546 -0.728 30.164 1.00 0.00 H new ATOM 1590 N ILE A 113 18.078 -4.734 30.066 1.00 0.00 N ATOM 1591 CA ILE A 113 19.058 -5.610 29.444 1.00 0.00 C ATOM 1592 C ILE A 113 19.179 -6.894 30.271 1.00 0.00 C ATOM 1593 O ILE A 113 19.019 -6.854 31.495 1.00 0.00 O ATOM 1594 CB ILE A 113 20.384 -4.827 29.309 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.395 -5.606 28.442 1.00 0.00 C ATOM 1596 CG2 ILE A 113 21.013 -4.419 30.656 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.522 -4.730 27.879 1.00 0.00 C ATOM 0 H ILE A 113 18.082 -4.791 31.084 1.00 0.00 H new ATOM 0 HA ILE A 113 18.759 -5.918 28.442 1.00 0.00 H new ATOM 0 HB ILE A 113 20.127 -3.893 28.810 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.832 -6.407 29.039 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.865 -6.078 27.615 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.940 -3.874 30.475 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.319 -3.782 31.204 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.226 -5.312 31.243 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.195 -5.343 27.280 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.095 -3.944 27.255 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.077 -4.279 28.701 1.00 0.00 H new ATOM 1609 N SER A 114 19.456 -8.034 29.634 1.00 0.00 N ATOM 1610 CA SER A 114 19.767 -9.302 30.292 1.00 0.00 C ATOM 1611 C SER A 114 20.529 -10.209 29.319 1.00 0.00 C ATOM 1612 O SER A 114 20.266 -10.186 28.115 1.00 0.00 O ATOM 1613 CB SER A 114 18.467 -9.999 30.727 1.00 0.00 C ATOM 1614 OG SER A 114 17.796 -9.266 31.739 1.00 0.00 O ATOM 0 H SER A 114 19.470 -8.101 28.616 1.00 0.00 H new ATOM 0 HA SER A 114 20.382 -9.107 31.171 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.810 -10.116 29.865 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.695 -11.000 31.092 1.00 0.00 H new ATOM 0 HG SER A 114 18.210 -8.383 31.832 1.00 0.00 H new ATOM 1620 N GLY A 115 21.445 -11.031 29.840 1.00 0.00 N ATOM 1621 CA GLY A 115 22.127 -12.078 29.081 1.00 0.00 C ATOM 1622 C GLY A 115 23.059 -11.550 27.987 1.00 0.00 C ATOM 1623 O GLY A 115 23.317 -12.269 27.019 1.00 0.00 O ATOM 0 H GLY A 115 21.736 -10.985 30.816 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.705 -12.694 29.770 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.379 -12.727 28.625 1.00 0.00 H new ATOM 1627 N CYS A 116 23.545 -10.310 28.106 1.00 0.00 N ATOM 1628 CA CYS A 116 24.298 -9.635 27.054 1.00 0.00 C ATOM 1629 C CYS A 116 25.754 -9.404 27.450 1.00 0.00 C ATOM 1630 O CYS A 116 26.098 -9.346 28.634 1.00 0.00 O ATOM 1631 CB CYS A 116 23.657 -8.276 26.751 1.00 0.00 C ATOM 1632 SG CYS A 116 21.949 -8.329 26.169 1.00 0.00 S ATOM 0 H CYS A 116 23.423 -9.744 28.946 1.00 0.00 H new ATOM 0 HA CYS A 116 24.276 -10.280 26.176 1.00 0.00 H new ATOM 0 HB2 CYS A 116 23.695 -7.667 27.654 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.262 -7.769 25.999 1.00 0.00 H new ATOM 1637 N SER A 117 26.571 -9.180 26.426 1.00 0.00 N ATOM 1638 CA SER A 117 27.946 -8.722 26.494 1.00 0.00 C ATOM 1639 C SER A 117 28.045 -7.554 25.511 1.00 0.00 C ATOM 1640 O SER A 117 27.407 -7.580 24.451 1.00 0.00 O ATOM 1641 CB SER A 117 28.898 -9.869 26.126 1.00 0.00 C ATOM 1642 OG SER A 117 28.699 -10.994 26.971 1.00 0.00 O ATOM 0 H SER A 117 26.265 -9.325 25.464 1.00 0.00 H new ATOM 0 HA SER A 117 28.230 -8.399 27.496 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.738 -10.158 25.087 1.00 0.00 H new ATOM 0 HB3 SER A 117 29.930 -9.528 26.207 1.00 0.00 H new ATOM 0 HG SER A 117 29.317 -11.710 26.713 1.00 0.00 H new ATOM 1648 N LEU A 118 28.809 -6.519 25.866 1.00 0.00 N ATOM 1649 CA LEU A 118 28.877 -5.259 25.132 1.00 0.00 C ATOM 1650 C LEU A 118 30.344 -4.941 24.869 1.00 0.00 C ATOM 1651 O LEU A 118 31.179 -5.088 25.768 1.00 0.00 O ATOM 1652 CB LEU A 118 28.252 -4.111 25.953 1.00 0.00 C ATOM 1653 CG LEU A 118 26.763 -4.257 26.321 1.00 0.00 C ATOM 1654 CD1 LEU A 118 26.319 -3.059 27.171 1.00 0.00 C ATOM 1655 CD2 LEU A 118 25.873 -4.336 25.080 1.00 0.00 C ATOM 0 H LEU A 118 29.410 -6.536 26.690 1.00 0.00 H new ATOM 0 HA LEU A 118 28.323 -5.356 24.198 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.822 -4.003 26.876 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.375 -3.185 25.392 1.00 0.00 H new ATOM 0 HG LEU A 118 26.656 -5.186 26.881 1.00 0.00 H new ATOM 0 HD11 LEU A 118 25.265 -3.166 27.429 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.914 -3.020 28.084 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.462 -2.138 26.605 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.832 -4.438 25.385 1.00 0.00 H new ATOM 0 HD22 LEU A 118 25.991 -3.427 24.490 1.00 0.00 H new ATOM 0 HD23 LEU A 118 26.162 -5.199 24.480 1.00 0.00 H new ATOM 1667 N SER A 119 30.637 -4.450 23.666 1.00 0.00 N ATOM 1668 CA SER A 119 31.968 -4.042 23.242 1.00 0.00 C ATOM 1669 C SER A 119 31.844 -2.805 22.351 1.00 0.00 C ATOM 1670 O SER A 119 30.809 -2.581 21.713 1.00 0.00 O ATOM 1671 CB SER A 119 32.644 -5.191 22.476 1.00 0.00 C ATOM 1672 OG SER A 119 32.724 -6.376 23.256 1.00 0.00 O ATOM 0 H SER A 119 29.931 -4.323 22.941 1.00 0.00 H new ATOM 0 HA SER A 119 32.580 -3.801 24.111 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.086 -5.395 21.562 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.647 -4.886 22.176 1.00 0.00 H new ATOM 0 HG SER A 119 33.158 -7.083 22.734 1.00 0.00 H new ATOM 1678 N ALA A 120 32.896 -1.986 22.317 1.00 0.00 N ATOM 1679 CA ALA A 120 33.000 -0.901 21.355 1.00 0.00 C ATOM 1680 C ALA A 120 33.345 -1.498 19.988 1.00 0.00 C ATOM 1681 O ALA A 120 34.112 -2.462 19.902 1.00 0.00 O ATOM 1682 CB ALA A 120 34.081 0.086 21.805 1.00 0.00 C ATOM 0 H ALA A 120 33.691 -2.059 22.952 1.00 0.00 H new ATOM 0 HA ALA A 120 32.056 -0.361 21.286 1.00 0.00 H new ATOM 0 HB1 ALA A 120 34.156 0.898 21.082 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.818 0.493 22.781 1.00 0.00 H new ATOM 0 HB3 ALA A 120 35.039 -0.430 21.873 1.00 0.00 H new ATOM 1688 N MET A 121 32.793 -0.913 18.926 1.00 0.00 N ATOM 1689 CA MET A 121 33.161 -1.239 17.556 1.00 0.00 C ATOM 1690 C MET A 121 34.612 -0.823 17.330 1.00 0.00 C ATOM 1691 O MET A 121 34.932 0.356 17.603 1.00 0.00 O ATOM 1692 CB MET A 121 32.195 -0.522 16.610 1.00 0.00 C ATOM 1693 CG MET A 121 32.426 -0.858 15.134 1.00 0.00 C ATOM 1694 SD MET A 121 32.117 -2.595 14.712 1.00 0.00 S ATOM 1695 CE MET A 121 32.241 -2.498 12.908 1.00 0.00 C ATOM 1696 OXT MET A 121 35.428 -1.665 16.899 1.00 0.00 O ATOM 0 H MET A 121 32.073 -0.194 18.997 1.00 0.00 H new ATOM 0 HA MET A 121 33.087 -2.309 17.362 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.172 -0.786 16.879 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.294 0.555 16.749 1.00 0.00 H new ATOM 0 HG2 MET A 121 31.780 -0.227 14.524 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.455 -0.609 14.873 1.00 0.00 H new ATOM 0 HE1 MET A 121 32.076 -3.486 12.478 1.00 0.00 H new ATOM 0 HE2 MET A 121 31.488 -1.807 12.528 1.00 0.00 H new ATOM 0 HE3 MET A 121 33.233 -2.142 12.630 1.00 0.00 H new