USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 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 66 THR OG1 : rot 180:sc= -0.649 USER MOD Set 1.2: A 69 GLN : amide:sc= -2.4 K(o=-3,f=-1.5) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -128:sc= 0.342 (180deg=-1.04) USER MOD Set 2.2: A 47 ASN : amide:sc= 0.697 X(o=1,f=0.58) USER MOD Set 3.1: A 26 THR OG1 : rot 37:sc= 1.11 USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 1.09 USER MOD Set 4.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 5 THR OG1 : rot -130:sc= -0.701 USER MOD Single : A 1 ALA N :NH3+ 161:sc= -0.213 (180deg=-0.248) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0908) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= 1.22 (180deg=0.178) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 135:sc= -0.115 (180deg=-0.638) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 46 MET CE :methyl -142:sc= -0.0908 (180deg=-0.567) USER MOD Single : A 55 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.042) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.177 -3.153 8.910 1.00 0.00 N ATOM 2 CA ALA A 1 -6.800 -4.035 7.812 1.00 71.14 C ATOM 3 C ALA A 1 -6.629 -5.471 8.296 1.00 42.34 C ATOM 4 O ALA A 1 -6.657 -5.741 9.496 1.00 73.23 O ATOM 5 CB ALA A 1 -5.521 -3.541 7.153 1.00 70.22 C ATOM 0 H1 ALA A 1 -6.978 -2.167 8.647 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.192 -3.260 9.108 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.630 -3.402 9.759 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.603 -4.021 7.075 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.252 -4.209 6.335 1.00 70.22 H new ATOM 0 HB2 ALA A 1 -5.678 -2.535 6.763 1.00 70.22 H new ATOM 0 HB3 ALA A 1 -4.716 -3.524 7.888 1.00 70.22 H new ATOM 11 N LYS A 2 -6.451 -6.390 7.353 1.00 64.22 N ATOM 12 CA LYS A 2 -6.274 -7.800 7.681 1.00 22.44 C ATOM 13 C LYS A 2 -4.861 -8.265 7.342 1.00 13.45 C ATOM 14 O LYS A 2 -4.172 -7.649 6.527 1.00 75.12 O ATOM 15 CB LYS A 2 -7.298 -8.653 6.929 1.00 24.13 C ATOM 16 CG LYS A 2 -7.390 -8.327 5.448 1.00 4.11 C ATOM 17 CD LYS A 2 -8.696 -7.628 5.112 1.00 10.42 C ATOM 18 CE LYS A 2 -9.190 -8.004 3.723 1.00 24.54 C ATOM 19 NZ LYS A 2 -9.785 -6.841 3.011 1.00 33.13 N ATOM 0 H LYS A 2 -6.425 -6.183 6.354 1.00 64.22 H new ATOM 0 HA LYS A 2 -6.429 -7.919 8.753 1.00 22.44 H new ATOM 0 HB2 LYS A 2 -7.038 -9.705 7.046 1.00 24.13 H new ATOM 0 HB3 LYS A 2 -8.278 -8.515 7.385 1.00 24.13 H new ATOM 0 HG2 LYS A 2 -6.552 -7.692 5.161 1.00 4.11 H new ATOM 0 HG3 LYS A 2 -7.307 -9.245 4.866 1.00 4.11 H new ATOM 0 HD2 LYS A 2 -9.452 -7.892 5.852 1.00 10.42 H new ATOM 0 HD3 LYS A 2 -8.557 -6.548 5.170 1.00 10.42 H new ATOM 0 HE2 LYS A 2 -8.361 -8.402 3.138 1.00 24.54 H new ATOM 0 HE3 LYS A 2 -9.932 -8.798 3.804 1.00 24.54 H new ATOM 0 HZ1 LYS A 2 -10.109 -7.139 2.069 1.00 33.13 H new ATOM 0 HZ2 LYS A 2 -10.593 -6.477 3.556 1.00 33.13 H new ATOM 0 HZ3 LYS A 2 -9.070 -6.093 2.910 1.00 33.13 H new ATOM 33 N LYS A 3 -4.434 -9.355 7.970 1.00 34.34 N ATOM 34 CA LYS A 3 -3.105 -9.905 7.733 1.00 35.12 C ATOM 35 C LYS A 3 -2.909 -10.239 6.258 1.00 41.14 C ATOM 36 O LYS A 3 -1.787 -10.235 5.756 1.00 45.12 O ATOM 37 CB LYS A 3 -2.889 -11.159 8.584 1.00 15.35 C ATOM 38 CG LYS A 3 -3.955 -12.222 8.381 1.00 51.54 C ATOM 39 CD LYS A 3 -4.974 -12.212 9.506 1.00 15.11 C ATOM 40 CE LYS A 3 -5.492 -13.612 9.802 1.00 43.43 C ATOM 41 NZ LYS A 3 -6.028 -14.274 8.580 1.00 62.13 N ATOM 0 H LYS A 3 -4.990 -9.876 8.648 1.00 34.34 H new ATOM 0 HA LYS A 3 -2.372 -9.150 8.017 1.00 35.12 H new ATOM 0 HB2 LYS A 3 -1.914 -11.585 8.348 1.00 15.35 H new ATOM 0 HB3 LYS A 3 -2.867 -10.875 9.636 1.00 15.35 H new ATOM 0 HG2 LYS A 3 -4.460 -12.055 7.430 1.00 51.54 H new ATOM 0 HG3 LYS A 3 -3.485 -13.204 8.324 1.00 51.54 H new ATOM 0 HD2 LYS A 3 -4.521 -11.793 10.405 1.00 15.11 H new ATOM 0 HD3 LYS A 3 -5.808 -11.564 9.237 1.00 15.11 H new ATOM 0 HE2 LYS A 3 -4.687 -14.217 10.219 1.00 43.43 H new ATOM 0 HE3 LYS A 3 -6.275 -13.557 10.559 1.00 43.43 H new ATOM 0 HZ1 LYS A 3 -6.565 -15.122 8.852 1.00 62.13 H new ATOM 0 HZ2 LYS A 3 -6.654 -13.615 8.074 1.00 62.13 H new ATOM 0 HZ3 LYS A 3 -5.240 -14.548 7.960 1.00 62.13 H new ATOM 55 N GLU A 4 -4.010 -10.526 5.570 1.00 12.11 N ATOM 56 CA GLU A 4 -3.958 -10.862 4.152 1.00 0.53 C ATOM 57 C GLU A 4 -3.655 -9.625 3.311 1.00 32.11 C ATOM 58 O GLU A 4 -2.737 -9.627 2.489 1.00 71.22 O ATOM 59 CB GLU A 4 -5.281 -11.485 3.704 1.00 41.32 C ATOM 60 CG GLU A 4 -5.142 -12.419 2.513 1.00 21.52 C ATOM 61 CD GLU A 4 -6.479 -12.785 1.899 1.00 40.43 C ATOM 62 OE1 GLU A 4 -7.092 -11.913 1.248 1.00 15.34 O ATOM 63 OE2 GLU A 4 -6.913 -13.943 2.069 1.00 20.31 O ATOM 0 H GLU A 4 -4.948 -10.533 5.971 1.00 12.11 H new ATOM 0 HA GLU A 4 -3.156 -11.586 4.005 1.00 0.53 H new ATOM 0 HB2 GLU A 4 -5.714 -12.036 4.539 1.00 41.32 H new ATOM 0 HB3 GLU A 4 -5.981 -10.688 3.451 1.00 41.32 H new ATOM 0 HG2 GLU A 4 -4.516 -11.946 1.756 1.00 21.52 H new ATOM 0 HG3 GLU A 4 -4.630 -13.328 2.827 1.00 21.52 H new ATOM 70 N THR A 5 -4.433 -8.568 3.521 1.00 75.33 N ATOM 71 CA THR A 5 -4.251 -7.325 2.783 1.00 2.21 C ATOM 72 C THR A 5 -2.835 -6.787 2.953 1.00 12.24 C ATOM 73 O THR A 5 -2.161 -6.464 1.975 1.00 44.22 O ATOM 74 CB THR A 5 -5.255 -6.248 3.237 1.00 64.33 C ATOM 75 OG1 THR A 5 -6.594 -6.708 3.024 1.00 11.41 O ATOM 76 CG2 THR A 5 -5.033 -4.948 2.480 1.00 42.43 C ATOM 0 H THR A 5 -5.196 -8.548 4.197 1.00 75.33 H new ATOM 0 HA THR A 5 -4.427 -7.554 1.732 1.00 2.21 H new ATOM 0 HB THR A 5 -5.100 -6.061 4.300 1.00 64.33 H new ATOM 0 HG1 THR A 5 -7.104 -6.021 2.545 1.00 11.41 H new ATOM 0 HG21 THR A 5 -5.753 -4.203 2.818 1.00 42.43 H new ATOM 0 HG22 THR A 5 -4.022 -4.586 2.667 1.00 42.43 H new ATOM 0 HG23 THR A 5 -5.164 -5.122 1.412 1.00 42.43 H new ATOM 84 N ILE A 6 -2.389 -6.693 4.202 1.00 51.43 N ATOM 85 CA ILE A 6 -1.052 -6.196 4.500 1.00 0.43 C ATOM 86 C ILE A 6 0.006 -6.947 3.698 1.00 55.05 C ATOM 87 O ILE A 6 0.978 -6.357 3.229 1.00 43.50 O ATOM 88 CB ILE A 6 -0.726 -6.319 6.000 1.00 73.15 C ATOM 89 CG1 ILE A 6 -1.752 -5.548 6.832 1.00 51.22 C ATOM 90 CG2 ILE A 6 0.680 -5.812 6.281 1.00 43.03 C ATOM 91 CD1 ILE A 6 -1.756 -5.931 8.295 1.00 31.23 C ATOM 0 H ILE A 6 -2.935 -6.955 5.023 1.00 51.43 H new ATOM 0 HA ILE A 6 -1.038 -5.143 4.219 1.00 0.43 H new ATOM 0 HB ILE A 6 -0.774 -7.371 6.281 1.00 73.15 H new ATOM 0 HG12 ILE A 6 -1.550 -4.481 6.745 1.00 51.22 H new ATOM 0 HG13 ILE A 6 -2.746 -5.719 6.418 1.00 51.22 H new ATOM 0 HG21 ILE A 6 0.895 -5.906 7.346 1.00 43.03 H new ATOM 0 HG22 ILE A 6 1.400 -6.401 5.712 1.00 43.03 H new ATOM 0 HG23 ILE A 6 0.755 -4.765 5.987 1.00 43.03 H new ATOM 0 HD11 ILE A 6 -2.508 -5.344 8.823 1.00 31.23 H new ATOM 0 HD12 ILE A 6 -1.989 -6.991 8.393 1.00 31.23 H new ATOM 0 HD13 ILE A 6 -0.774 -5.734 8.725 1.00 31.23 H new ATOM 103 N ASP A 7 -0.193 -8.252 3.544 1.00 3.32 N ATOM 104 CA ASP A 7 0.742 -9.085 2.797 1.00 55.43 C ATOM 105 C ASP A 7 0.663 -8.783 1.303 1.00 55.04 C ATOM 106 O ASP A 7 1.667 -8.845 0.592 1.00 14.30 O ATOM 107 CB ASP A 7 0.452 -10.565 3.047 1.00 43.24 C ATOM 108 CG ASP A 7 1.676 -11.437 2.843 1.00 34.44 C ATOM 109 OD1 ASP A 7 2.800 -10.949 3.088 1.00 53.50 O ATOM 110 OD2 ASP A 7 1.509 -12.607 2.442 1.00 31.45 O ATOM 0 H ASP A 7 -0.993 -8.755 3.927 1.00 3.32 H new ATOM 0 HA ASP A 7 1.750 -8.858 3.143 1.00 55.43 H new ATOM 0 HB2 ASP A 7 0.084 -10.693 4.065 1.00 43.24 H new ATOM 0 HB3 ASP A 7 -0.342 -10.895 2.377 1.00 43.24 H new ATOM 115 N LYS A 8 -0.537 -8.459 0.832 1.00 23.14 N ATOM 116 CA LYS A 8 -0.748 -8.148 -0.577 1.00 33.45 C ATOM 117 C LYS A 8 -0.121 -6.805 -0.938 1.00 34.52 C ATOM 118 O LYS A 8 0.685 -6.714 -1.863 1.00 72.43 O ATOM 119 CB LYS A 8 -2.245 -8.126 -0.896 1.00 23.43 C ATOM 120 CG LYS A 8 -2.987 -9.362 -0.416 1.00 21.11 C ATOM 121 CD LYS A 8 -3.610 -10.123 -1.574 1.00 22.01 C ATOM 122 CE LYS A 8 -4.664 -9.291 -2.286 1.00 15.44 C ATOM 123 NZ LYS A 8 -5.448 -10.101 -3.258 1.00 44.13 N ATOM 0 H LYS A 8 -1.378 -8.405 1.406 1.00 23.14 H new ATOM 0 HA LYS A 8 -0.267 -8.925 -1.171 1.00 33.45 H new ATOM 0 HB2 LYS A 8 -2.692 -7.243 -0.439 1.00 23.43 H new ATOM 0 HB3 LYS A 8 -2.377 -8.029 -1.974 1.00 23.43 H new ATOM 0 HG2 LYS A 8 -2.299 -10.015 0.121 1.00 21.11 H new ATOM 0 HG3 LYS A 8 -3.765 -9.069 0.289 1.00 21.11 H new ATOM 0 HD2 LYS A 8 -2.833 -10.410 -2.282 1.00 22.01 H new ATOM 0 HD3 LYS A 8 -4.061 -11.044 -1.205 1.00 22.01 H new ATOM 0 HE2 LYS A 8 -5.339 -8.854 -1.550 1.00 15.44 H new ATOM 0 HE3 LYS A 8 -4.182 -8.464 -2.808 1.00 15.44 H new ATOM 0 HZ1 LYS A 8 -6.156 -9.497 -3.722 1.00 44.13 H new ATOM 0 HZ2 LYS A 8 -4.808 -10.498 -3.975 1.00 44.13 H new ATOM 0 HZ3 LYS A 8 -5.929 -10.875 -2.757 1.00 44.13 H new ATOM 137 N VAL A 9 -0.496 -5.765 -0.200 1.00 25.53 N ATOM 138 CA VAL A 9 0.032 -4.428 -0.441 1.00 12.34 C ATOM 139 C VAL A 9 1.557 -4.429 -0.435 1.00 51.14 C ATOM 140 O VAL A 9 2.191 -3.893 -1.344 1.00 11.34 O ATOM 141 CB VAL A 9 -0.473 -3.426 0.615 1.00 23.24 C ATOM 142 CG1 VAL A 9 -0.024 -2.014 0.271 1.00 20.01 C ATOM 143 CG2 VAL A 9 -1.987 -3.498 0.736 1.00 74.05 C ATOM 0 H VAL A 9 -1.163 -5.823 0.569 1.00 25.53 H new ATOM 0 HA VAL A 9 -0.325 -4.120 -1.424 1.00 12.34 H new ATOM 0 HB VAL A 9 -0.041 -3.693 1.579 1.00 23.24 H new ATOM 0 HG11 VAL A 9 -0.390 -1.321 1.028 1.00 20.01 H new ATOM 0 HG12 VAL A 9 1.065 -1.976 0.241 1.00 20.01 H new ATOM 0 HG13 VAL A 9 -0.424 -1.732 -0.703 1.00 20.01 H new ATOM 0 HG21 VAL A 9 -2.326 -2.784 1.486 1.00 74.05 H new ATOM 0 HG22 VAL A 9 -2.441 -3.258 -0.225 1.00 74.05 H new ATOM 0 HG23 VAL A 9 -2.281 -4.504 1.034 1.00 74.05 H new ATOM 153 N SER A 10 2.139 -5.035 0.594 1.00 61.43 N ATOM 154 CA SER A 10 3.590 -5.105 0.720 1.00 71.24 C ATOM 155 C SER A 10 4.211 -5.760 -0.511 1.00 1.25 C ATOM 156 O SER A 10 5.305 -5.391 -0.938 1.00 23.15 O ATOM 157 CB SER A 10 3.978 -5.885 1.977 1.00 62.42 C ATOM 158 OG SER A 10 5.221 -6.544 1.805 1.00 54.03 O ATOM 0 H SER A 10 1.628 -5.485 1.353 1.00 61.43 H new ATOM 0 HA SER A 10 3.972 -4.087 0.801 1.00 71.24 H new ATOM 0 HB2 SER A 10 4.038 -5.205 2.827 1.00 62.42 H new ATOM 0 HB3 SER A 10 3.204 -6.617 2.208 1.00 62.42 H new ATOM 0 HG SER A 10 5.447 -7.034 2.623 1.00 54.03 H new ATOM 164 N ASP A 11 3.504 -6.731 -1.076 1.00 44.12 N ATOM 165 CA ASP A 11 3.984 -7.438 -2.259 1.00 11.51 C ATOM 166 C ASP A 11 4.101 -6.489 -3.448 1.00 42.51 C ATOM 167 O ASP A 11 5.088 -6.521 -4.185 1.00 15.42 O ATOM 168 CB ASP A 11 3.045 -8.595 -2.604 1.00 24.13 C ATOM 169 CG ASP A 11 3.795 -9.879 -2.899 1.00 73.04 C ATOM 170 OD1 ASP A 11 4.723 -10.214 -2.134 1.00 50.01 O ATOM 171 OD2 ASP A 11 3.452 -10.550 -3.896 1.00 11.21 O ATOM 0 H ASP A 11 2.596 -7.048 -0.735 1.00 44.12 H new ATOM 0 HA ASP A 11 4.973 -7.838 -2.037 1.00 11.51 H new ATOM 0 HB2 ASP A 11 2.358 -8.761 -1.775 1.00 24.13 H new ATOM 0 HB3 ASP A 11 2.441 -8.323 -3.469 1.00 24.13 H new ATOM 176 N ILE A 12 3.089 -5.648 -3.629 1.00 12.21 N ATOM 177 CA ILE A 12 3.079 -4.691 -4.728 1.00 4.23 C ATOM 178 C ILE A 12 4.076 -3.563 -4.485 1.00 22.13 C ATOM 179 O ILE A 12 4.789 -3.142 -5.396 1.00 61.33 O ATOM 180 CB ILE A 12 1.678 -4.086 -4.935 1.00 51.41 C ATOM 181 CG1 ILE A 12 0.657 -5.192 -5.210 1.00 1.51 C ATOM 182 CG2 ILE A 12 1.699 -3.081 -6.077 1.00 53.33 C ATOM 183 CD1 ILE A 12 -0.599 -5.075 -4.376 1.00 12.14 C ATOM 0 H ILE A 12 2.265 -5.610 -3.029 1.00 12.21 H new ATOM 0 HA ILE A 12 3.366 -5.239 -5.625 1.00 4.23 H new ATOM 0 HB ILE A 12 1.385 -3.565 -4.024 1.00 51.41 H new ATOM 0 HG12 ILE A 12 0.386 -5.171 -6.266 1.00 1.51 H new ATOM 0 HG13 ILE A 12 1.121 -6.160 -5.019 1.00 1.51 H new ATOM 0 HG21 ILE A 12 0.702 -2.662 -6.211 1.00 53.33 H new ATOM 0 HG22 ILE A 12 2.401 -2.280 -5.844 1.00 53.33 H new ATOM 0 HG23 ILE A 12 2.010 -3.580 -6.995 1.00 53.33 H new ATOM 0 HD11 ILE A 12 -1.277 -5.891 -4.623 1.00 12.14 H new ATOM 0 HD12 ILE A 12 -0.340 -5.127 -3.319 1.00 12.14 H new ATOM 0 HD13 ILE A 12 -1.086 -4.123 -4.584 1.00 12.14 H new ATOM 195 N VAL A 13 4.124 -3.079 -3.248 1.00 12.33 N ATOM 196 CA VAL A 13 5.036 -2.002 -2.882 1.00 74.03 C ATOM 197 C VAL A 13 6.489 -2.431 -3.053 1.00 34.42 C ATOM 198 O VAL A 13 7.240 -1.826 -3.817 1.00 4.11 O ATOM 199 CB VAL A 13 4.813 -1.547 -1.428 1.00 64.20 C ATOM 200 CG1 VAL A 13 5.802 -0.453 -1.053 1.00 31.14 C ATOM 201 CG2 VAL A 13 3.382 -1.074 -1.231 1.00 15.10 C ATOM 0 H VAL A 13 3.541 -3.416 -2.482 1.00 12.33 H new ATOM 0 HA VAL A 13 4.826 -1.168 -3.551 1.00 74.03 H new ATOM 0 HB VAL A 13 4.983 -2.399 -0.769 1.00 64.20 H new ATOM 0 HG11 VAL A 13 5.629 -0.144 -0.022 1.00 31.14 H new ATOM 0 HG12 VAL A 13 6.819 -0.832 -1.153 1.00 31.14 H new ATOM 0 HG13 VAL A 13 5.667 0.402 -1.715 1.00 31.14 H new ATOM 0 HG21 VAL A 13 3.243 -0.756 -0.198 1.00 15.10 H new ATOM 0 HG22 VAL A 13 3.181 -0.236 -1.898 1.00 15.10 H new ATOM 0 HG23 VAL A 13 2.695 -1.890 -1.455 1.00 15.10 H new ATOM 211 N LYS A 14 6.878 -3.479 -2.336 1.00 31.15 N ATOM 212 CA LYS A 14 8.242 -3.992 -2.407 1.00 52.34 C ATOM 213 C LYS A 14 8.641 -4.273 -3.852 1.00 52.30 C ATOM 214 O LYS A 14 9.808 -4.139 -4.220 1.00 34.35 O ATOM 215 CB LYS A 14 8.372 -5.269 -1.574 1.00 10.24 C ATOM 216 CG LYS A 14 7.716 -6.481 -2.211 1.00 33.42 C ATOM 217 CD LYS A 14 7.452 -7.574 -1.188 1.00 14.11 C ATOM 218 CE LYS A 14 8.748 -8.170 -0.662 1.00 11.05 C ATOM 219 NZ LYS A 14 9.071 -9.465 -1.320 1.00 42.31 N ATOM 0 H LYS A 14 6.268 -3.991 -1.698 1.00 31.15 H new ATOM 0 HA LYS A 14 8.912 -3.233 -2.004 1.00 52.34 H new ATOM 0 HB2 LYS A 14 9.429 -5.481 -1.413 1.00 10.24 H new ATOM 0 HB3 LYS A 14 7.928 -5.100 -0.593 1.00 10.24 H new ATOM 0 HG2 LYS A 14 6.777 -6.184 -2.678 1.00 33.42 H new ATOM 0 HG3 LYS A 14 8.357 -6.869 -3.002 1.00 33.42 H new ATOM 0 HD2 LYS A 14 6.875 -7.165 -0.358 1.00 14.11 H new ATOM 0 HD3 LYS A 14 6.847 -8.359 -1.641 1.00 14.11 H new ATOM 0 HE2 LYS A 14 9.564 -7.466 -0.826 1.00 11.05 H new ATOM 0 HE3 LYS A 14 8.668 -8.320 0.415 1.00 11.05 H new ATOM 0 HZ1 LYS A 14 10.088 -9.500 -1.537 1.00 42.31 H new ATOM 0 HZ2 LYS A 14 8.825 -10.249 -0.682 1.00 42.31 H new ATOM 0 HZ3 LYS A 14 8.526 -9.552 -2.202 1.00 42.31 H new ATOM 233 N GLU A 15 7.666 -4.661 -4.667 1.00 75.14 N ATOM 234 CA GLU A 15 7.917 -4.959 -6.072 1.00 63.34 C ATOM 235 C GLU A 15 8.202 -3.682 -6.857 1.00 24.31 C ATOM 236 O GLU A 15 8.970 -3.689 -7.820 1.00 53.42 O ATOM 237 CB GLU A 15 6.720 -5.690 -6.684 1.00 43.24 C ATOM 238 CG GLU A 15 6.967 -6.186 -8.099 1.00 23.24 C ATOM 239 CD GLU A 15 6.560 -5.172 -9.151 1.00 55.01 C ATOM 240 OE1 GLU A 15 5.515 -4.514 -8.966 1.00 53.54 O ATOM 241 OE2 GLU A 15 7.284 -5.038 -10.159 1.00 25.43 O ATOM 0 H GLU A 15 6.694 -4.776 -4.379 1.00 75.14 H new ATOM 0 HA GLU A 15 8.794 -5.603 -6.128 1.00 63.34 H new ATOM 0 HB2 GLU A 15 6.461 -6.539 -6.051 1.00 43.24 H new ATOM 0 HB3 GLU A 15 5.860 -5.021 -6.688 1.00 43.24 H new ATOM 0 HG2 GLU A 15 8.024 -6.423 -8.218 1.00 23.24 H new ATOM 0 HG3 GLU A 15 6.413 -7.111 -8.258 1.00 23.24 H new ATOM 248 N LYS A 16 7.578 -2.586 -6.439 1.00 72.42 N ATOM 249 CA LYS A 16 7.764 -1.300 -7.101 1.00 32.21 C ATOM 250 C LYS A 16 9.037 -0.616 -6.612 1.00 44.43 C ATOM 251 O LYS A 16 9.615 0.215 -7.314 1.00 54.23 O ATOM 252 CB LYS A 16 6.557 -0.394 -6.846 1.00 52.53 C ATOM 253 CG LYS A 16 5.268 -0.912 -7.462 1.00 74.51 C ATOM 254 CD LYS A 16 5.188 -0.590 -8.944 1.00 12.31 C ATOM 255 CE LYS A 16 5.040 0.905 -9.182 1.00 13.31 C ATOM 256 NZ LYS A 16 4.397 1.196 -10.494 1.00 14.42 N ATOM 0 H LYS A 16 6.939 -2.562 -5.644 1.00 72.42 H new ATOM 0 HA LYS A 16 7.857 -1.480 -8.172 1.00 32.21 H new ATOM 0 HB2 LYS A 16 6.417 -0.283 -5.771 1.00 52.53 H new ATOM 0 HB3 LYS A 16 6.767 0.599 -7.244 1.00 52.53 H new ATOM 0 HG2 LYS A 16 5.204 -1.991 -7.319 1.00 74.51 H new ATOM 0 HG3 LYS A 16 4.415 -0.471 -6.947 1.00 74.51 H new ATOM 0 HD2 LYS A 16 6.086 -0.952 -9.445 1.00 12.31 H new ATOM 0 HD3 LYS A 16 4.342 -1.116 -9.387 1.00 12.31 H new ATOM 0 HE2 LYS A 16 4.445 1.343 -8.381 1.00 13.31 H new ATOM 0 HE3 LYS A 16 6.022 1.378 -9.146 1.00 13.31 H new ATOM 0 HZ1 LYS A 16 4.983 1.871 -11.026 1.00 14.42 H new ATOM 0 HZ2 LYS A 16 4.304 0.315 -11.038 1.00 14.42 H new ATOM 0 HZ3 LYS A 16 3.455 1.606 -10.335 1.00 14.42 H new ATOM 270 N LEU A 17 9.470 -0.972 -5.409 1.00 72.22 N ATOM 271 CA LEU A 17 10.677 -0.393 -4.828 1.00 50.10 C ATOM 272 C LEU A 17 11.883 -1.297 -5.067 1.00 31.33 C ATOM 273 O LEU A 17 13.026 -0.891 -4.857 1.00 0.31 O ATOM 274 CB LEU A 17 10.486 -0.164 -3.329 1.00 31.54 C ATOM 275 CG LEU A 17 9.328 0.752 -2.931 1.00 2.41 C ATOM 276 CD1 LEU A 17 9.218 0.848 -1.417 1.00 53.31 C ATOM 277 CD2 LEU A 17 9.509 2.134 -3.543 1.00 1.14 C ATOM 0 H LEU A 17 9.004 -1.659 -4.816 1.00 72.22 H new ATOM 0 HA LEU A 17 10.862 0.565 -5.314 1.00 50.10 H new ATOM 0 HB2 LEU A 17 10.338 -1.132 -2.850 1.00 31.54 H new ATOM 0 HB3 LEU A 17 11.408 0.254 -2.925 1.00 31.54 H new ATOM 0 HG LEU A 17 8.402 0.324 -3.315 1.00 2.41 H new ATOM 0 HD11 LEU A 17 8.388 1.504 -1.153 1.00 53.31 H new ATOM 0 HD12 LEU A 17 9.042 -0.144 -1.001 1.00 53.31 H new ATOM 0 HD13 LEU A 17 10.144 1.253 -1.010 1.00 53.31 H new ATOM 0 HD21 LEU A 17 8.676 2.774 -3.250 1.00 1.14 H new ATOM 0 HD22 LEU A 17 10.443 2.569 -3.188 1.00 1.14 H new ATOM 0 HD23 LEU A 17 9.537 2.050 -4.629 1.00 1.14 H new ATOM 289 N ALA A 18 11.620 -2.522 -5.508 1.00 75.00 N ATOM 290 CA ALA A 18 12.683 -3.481 -5.779 1.00 61.55 C ATOM 291 C ALA A 18 12.121 -4.778 -6.352 1.00 51.23 C ATOM 292 O ALA A 18 10.918 -4.890 -6.595 1.00 62.32 O ATOM 293 CB ALA A 18 13.476 -3.763 -4.512 1.00 60.22 C ATOM 0 H ALA A 18 10.679 -2.874 -5.685 1.00 75.00 H new ATOM 0 HA ALA A 18 13.350 -3.044 -6.523 1.00 61.55 H new ATOM 0 HB1 ALA A 18 14.267 -4.481 -4.730 1.00 60.22 H new ATOM 0 HB2 ALA A 18 13.918 -2.836 -4.146 1.00 60.22 H new ATOM 0 HB3 ALA A 18 12.812 -4.174 -3.751 1.00 60.22 H new ATOM 299 N LEU A 19 12.996 -5.753 -6.567 1.00 44.23 N ATOM 300 CA LEU A 19 12.586 -7.043 -7.113 1.00 4.55 C ATOM 301 C LEU A 19 11.786 -7.838 -6.088 1.00 22.00 C ATOM 302 O LEU A 19 11.020 -8.733 -6.442 1.00 43.13 O ATOM 303 CB LEU A 19 13.812 -7.845 -7.555 1.00 4.04 C ATOM 304 CG LEU A 19 14.590 -7.281 -8.744 1.00 23.41 C ATOM 305 CD1 LEU A 19 16.023 -7.793 -8.735 1.00 12.32 C ATOM 306 CD2 LEU A 19 13.902 -7.643 -10.051 1.00 52.41 C ATOM 0 H LEU A 19 13.994 -5.676 -6.372 1.00 44.23 H new ATOM 0 HA LEU A 19 11.950 -6.858 -7.978 1.00 4.55 H new ATOM 0 HB2 LEU A 19 14.492 -7.927 -6.707 1.00 4.04 H new ATOM 0 HB3 LEU A 19 13.489 -8.856 -7.804 1.00 4.04 H new ATOM 0 HG LEU A 19 14.613 -6.195 -8.657 1.00 23.41 H new ATOM 0 HD11 LEU A 19 16.562 -7.381 -9.588 1.00 12.32 H new ATOM 0 HD12 LEU A 19 16.514 -7.484 -7.812 1.00 12.32 H new ATOM 0 HD13 LEU A 19 16.021 -8.881 -8.798 1.00 12.32 H new ATOM 0 HD21 LEU A 19 14.470 -7.233 -10.887 1.00 52.41 H new ATOM 0 HD22 LEU A 19 13.848 -8.728 -10.146 1.00 52.41 H new ATOM 0 HD23 LEU A 19 12.894 -7.228 -10.059 1.00 52.41 H new ATOM 318 N GLY A 20 11.968 -7.504 -4.813 1.00 41.45 N ATOM 319 CA GLY A 20 11.254 -8.195 -3.756 1.00 44.24 C ATOM 320 C GLY A 20 12.127 -9.194 -3.024 1.00 65.24 C ATOM 321 O GLY A 20 11.812 -9.604 -1.907 1.00 52.22 O ATOM 0 H GLY A 20 12.597 -6.767 -4.494 1.00 41.45 H new ATOM 0 HA2 GLY A 20 10.868 -7.465 -3.045 1.00 44.24 H new ATOM 0 HA3 GLY A 20 10.393 -8.712 -4.181 1.00 44.24 H new ATOM 325 N ALA A 21 13.229 -9.589 -3.655 1.00 11.31 N ATOM 326 CA ALA A 21 14.151 -10.545 -3.056 1.00 65.42 C ATOM 327 C ALA A 21 15.307 -9.833 -2.361 1.00 72.22 C ATOM 328 O ALA A 21 15.911 -10.371 -1.434 1.00 25.53 O ATOM 329 CB ALA A 21 14.679 -11.503 -4.114 1.00 61.22 C ATOM 0 H ALA A 21 13.504 -9.261 -4.581 1.00 11.31 H new ATOM 0 HA ALA A 21 13.605 -11.115 -2.304 1.00 65.42 H new ATOM 0 HB1 ALA A 21 15.367 -12.212 -3.652 1.00 61.22 H new ATOM 0 HB2 ALA A 21 13.846 -12.045 -4.562 1.00 61.22 H new ATOM 0 HB3 ALA A 21 15.203 -10.940 -4.886 1.00 61.22 H new ATOM 335 N ASP A 22 15.608 -8.622 -2.816 1.00 33.44 N ATOM 336 CA ASP A 22 16.691 -7.836 -2.236 1.00 15.22 C ATOM 337 C ASP A 22 16.139 -6.699 -1.381 1.00 25.03 C ATOM 338 O ASP A 22 16.870 -5.783 -1.002 1.00 0.43 O ATOM 339 CB ASP A 22 17.587 -7.272 -3.339 1.00 54.03 C ATOM 340 CG ASP A 22 18.719 -8.212 -3.702 1.00 24.42 C ATOM 341 OD1 ASP A 22 19.754 -8.192 -3.001 1.00 54.54 O ATOM 342 OD2 ASP A 22 18.574 -8.967 -4.686 1.00 13.11 O ATOM 0 H ASP A 22 15.118 -8.163 -3.584 1.00 33.44 H new ATOM 0 HA ASP A 22 17.283 -8.493 -1.598 1.00 15.22 H new ATOM 0 HB2 ASP A 22 16.985 -7.073 -4.226 1.00 54.03 H new ATOM 0 HB3 ASP A 22 18.001 -6.318 -3.014 1.00 54.03 H new ATOM 347 N VAL A 23 14.847 -6.765 -1.080 1.00 11.41 N ATOM 348 CA VAL A 23 14.197 -5.741 -0.270 1.00 3.35 C ATOM 349 C VAL A 23 13.376 -6.367 0.852 1.00 0.14 C ATOM 350 O VAL A 23 12.887 -7.490 0.726 1.00 43.42 O ATOM 351 CB VAL A 23 13.280 -4.846 -1.124 1.00 60.10 C ATOM 352 CG1 VAL A 23 12.093 -5.642 -1.645 1.00 3.23 C ATOM 353 CG2 VAL A 23 12.814 -3.642 -0.322 1.00 1.54 C ATOM 0 H VAL A 23 14.229 -7.517 -1.385 1.00 11.41 H new ATOM 0 HA VAL A 23 14.990 -5.129 0.161 1.00 3.35 H new ATOM 0 HB VAL A 23 13.849 -4.484 -1.981 1.00 60.10 H new ATOM 0 HG11 VAL A 23 11.456 -4.994 -2.246 1.00 3.23 H new ATOM 0 HG12 VAL A 23 12.451 -6.469 -2.258 1.00 3.23 H new ATOM 0 HG13 VAL A 23 11.521 -6.034 -0.804 1.00 3.23 H new ATOM 0 HG21 VAL A 23 12.167 -3.021 -0.941 1.00 1.54 H new ATOM 0 HG22 VAL A 23 12.261 -3.980 0.554 1.00 1.54 H new ATOM 0 HG23 VAL A 23 13.679 -3.060 -0.003 1.00 1.54 H new ATOM 363 N VAL A 24 13.229 -5.634 1.951 1.00 3.44 N ATOM 364 CA VAL A 24 12.465 -6.115 3.096 1.00 62.15 C ATOM 365 C VAL A 24 11.380 -5.120 3.492 1.00 64.42 C ATOM 366 O VAL A 24 11.664 -4.084 4.093 1.00 34.30 O ATOM 367 CB VAL A 24 13.378 -6.375 4.310 1.00 51.31 C ATOM 368 CG1 VAL A 24 12.559 -6.850 5.500 1.00 23.10 C ATOM 369 CG2 VAL A 24 14.459 -7.385 3.957 1.00 23.34 C ATOM 0 H VAL A 24 13.629 -4.704 2.073 1.00 3.44 H new ATOM 0 HA VAL A 24 11.999 -7.053 2.794 1.00 62.15 H new ATOM 0 HB VAL A 24 13.865 -5.439 4.585 1.00 51.31 H new ATOM 0 HG11 VAL A 24 13.220 -7.029 6.348 1.00 23.10 H new ATOM 0 HG12 VAL A 24 11.826 -6.088 5.765 1.00 23.10 H new ATOM 0 HG13 VAL A 24 12.043 -7.775 5.241 1.00 23.10 H new ATOM 0 HG21 VAL A 24 15.094 -7.557 4.826 1.00 23.34 H new ATOM 0 HG22 VAL A 24 13.995 -8.324 3.656 1.00 23.34 H new ATOM 0 HG23 VAL A 24 15.063 -6.999 3.136 1.00 23.34 H new ATOM 379 N VAL A 25 10.137 -5.441 3.150 1.00 65.55 N ATOM 380 CA VAL A 25 9.008 -4.577 3.471 1.00 2.32 C ATOM 381 C VAL A 25 8.082 -5.236 4.487 1.00 63.14 C ATOM 382 O VAL A 25 7.850 -6.445 4.440 1.00 25.52 O ATOM 383 CB VAL A 25 8.198 -4.219 2.210 1.00 23.33 C ATOM 384 CG1 VAL A 25 7.026 -3.318 2.567 1.00 50.32 C ATOM 385 CG2 VAL A 25 9.093 -3.559 1.173 1.00 21.02 C ATOM 0 H VAL A 25 9.886 -6.294 2.650 1.00 65.55 H new ATOM 0 HA VAL A 25 9.421 -3.664 3.900 1.00 2.32 H new ATOM 0 HB VAL A 25 7.800 -5.138 1.780 1.00 23.33 H new ATOM 0 HG11 VAL A 25 6.465 -3.075 1.664 1.00 50.32 H new ATOM 0 HG12 VAL A 25 6.373 -3.832 3.272 1.00 50.32 H new ATOM 0 HG13 VAL A 25 7.398 -2.399 3.021 1.00 50.32 H new ATOM 0 HG21 VAL A 25 8.505 -3.313 0.289 1.00 21.02 H new ATOM 0 HG22 VAL A 25 9.521 -2.647 1.589 1.00 21.02 H new ATOM 0 HG23 VAL A 25 9.895 -4.243 0.896 1.00 21.02 H new ATOM 395 N THR A 26 7.552 -4.434 5.405 1.00 4.14 N ATOM 396 CA THR A 26 6.651 -4.938 6.433 1.00 43.03 C ATOM 397 C THR A 26 5.677 -3.858 6.890 1.00 45.35 C ATOM 398 O THR A 26 5.817 -2.690 6.529 1.00 44.55 O ATOM 399 CB THR A 26 7.430 -5.462 7.655 1.00 32.13 C ATOM 400 OG1 THR A 26 8.651 -4.731 7.807 1.00 30.15 O ATOM 401 CG2 THR A 26 7.736 -6.945 7.507 1.00 73.22 C ATOM 0 H THR A 26 7.732 -3.431 5.457 1.00 4.14 H new ATOM 0 HA THR A 26 6.092 -5.761 5.987 1.00 43.03 H new ATOM 0 HB THR A 26 6.810 -5.322 8.541 1.00 32.13 H new ATOM 0 HG1 THR A 26 8.501 -3.792 7.571 1.00 30.15 H new ATOM 0 HG21 THR A 26 8.286 -7.292 8.382 1.00 73.22 H new ATOM 0 HG22 THR A 26 6.803 -7.502 7.421 1.00 73.22 H new ATOM 0 HG23 THR A 26 8.338 -7.105 6.613 1.00 73.22 H new ATOM 409 N ALA A 27 4.691 -4.256 7.687 1.00 23.15 N ATOM 410 CA ALA A 27 3.695 -3.320 8.195 1.00 22.13 C ATOM 411 C ALA A 27 4.349 -2.224 9.031 1.00 73.25 C ATOM 412 O ALA A 27 3.806 -1.127 9.167 1.00 71.41 O ATOM 413 CB ALA A 27 2.647 -4.059 9.015 1.00 25.13 C ATOM 0 H ALA A 27 4.560 -5.220 7.995 1.00 23.15 H new ATOM 0 HA ALA A 27 3.206 -2.848 7.343 1.00 22.13 H new ATOM 0 HB1 ALA A 27 1.910 -3.348 9.388 1.00 25.13 H new ATOM 0 HB2 ALA A 27 2.152 -4.801 8.389 1.00 25.13 H new ATOM 0 HB3 ALA A 27 3.128 -4.558 9.856 1.00 25.13 H new ATOM 419 N ASP A 28 5.515 -2.529 9.589 1.00 13.14 N ATOM 420 CA ASP A 28 6.241 -1.569 10.412 1.00 23.14 C ATOM 421 C ASP A 28 7.130 -0.677 9.550 1.00 41.01 C ATOM 422 O ASP A 28 7.533 0.407 9.972 1.00 22.42 O ATOM 423 CB ASP A 28 7.090 -2.298 11.455 1.00 61.43 C ATOM 424 CG ASP A 28 7.528 -1.387 12.585 1.00 23.31 C ATOM 425 OD1 ASP A 28 6.653 -0.748 13.206 1.00 0.20 O ATOM 426 OD2 ASP A 28 8.746 -1.315 12.850 1.00 3.40 O ATOM 0 H ASP A 28 5.977 -3.432 9.487 1.00 13.14 H new ATOM 0 HA ASP A 28 5.511 -0.941 10.923 1.00 23.14 H new ATOM 0 HB2 ASP A 28 6.520 -3.132 11.865 1.00 61.43 H new ATOM 0 HB3 ASP A 28 7.970 -2.721 10.971 1.00 61.43 H new ATOM 431 N SER A 29 7.431 -1.140 8.342 1.00 55.15 N ATOM 432 CA SER A 29 8.274 -0.387 7.422 1.00 65.01 C ATOM 433 C SER A 29 7.533 0.831 6.879 1.00 50.34 C ATOM 434 O SER A 29 6.329 0.779 6.632 1.00 1.31 O ATOM 435 CB SER A 29 8.728 -1.280 6.265 1.00 1.54 C ATOM 436 OG SER A 29 9.345 -2.461 6.744 1.00 73.53 O ATOM 0 H SER A 29 7.103 -2.034 7.977 1.00 55.15 H new ATOM 0 HA SER A 29 9.150 -0.042 7.971 1.00 65.01 H new ATOM 0 HB2 SER A 29 7.871 -1.540 5.644 1.00 1.54 H new ATOM 0 HB3 SER A 29 9.426 -0.733 5.631 1.00 1.54 H new ATOM 0 HG SER A 29 9.624 -3.015 5.985 1.00 73.53 H new ATOM 442 N GLU A 30 8.263 1.927 6.696 1.00 42.24 N ATOM 443 CA GLU A 30 7.674 3.159 6.182 1.00 25.43 C ATOM 444 C GLU A 30 8.039 3.365 4.715 1.00 54.21 C ATOM 445 O GLU A 30 9.172 3.116 4.303 1.00 35.04 O ATOM 446 CB GLU A 30 8.145 4.358 7.009 1.00 44.20 C ATOM 447 CG GLU A 30 7.964 4.174 8.507 1.00 74.15 C ATOM 448 CD GLU A 30 8.248 5.441 9.289 1.00 71.12 C ATOM 449 OE1 GLU A 30 8.487 6.489 8.653 1.00 74.03 O ATOM 450 OE2 GLU A 30 8.231 5.385 10.536 1.00 64.20 O ATOM 0 H GLU A 30 9.261 1.987 6.896 1.00 42.24 H new ATOM 0 HA GLU A 30 6.590 3.075 6.261 1.00 25.43 H new ATOM 0 HB2 GLU A 30 9.199 4.542 6.799 1.00 44.20 H new ATOM 0 HB3 GLU A 30 7.597 5.245 6.692 1.00 44.20 H new ATOM 0 HG2 GLU A 30 6.944 3.848 8.709 1.00 74.15 H new ATOM 0 HG3 GLU A 30 8.626 3.381 8.854 1.00 74.15 H new ATOM 457 N PHE A 31 7.068 3.821 3.930 1.00 44.51 N ATOM 458 CA PHE A 31 7.284 4.061 2.507 1.00 23.41 C ATOM 459 C PHE A 31 8.511 4.939 2.284 1.00 1.34 C ATOM 460 O PHE A 31 9.200 4.818 1.270 1.00 21.40 O ATOM 461 CB PHE A 31 6.051 4.719 1.886 1.00 62.32 C ATOM 462 CG PHE A 31 4.865 3.803 1.795 1.00 71.23 C ATOM 463 CD1 PHE A 31 4.807 2.815 0.825 1.00 65.12 C ATOM 464 CD2 PHE A 31 3.806 3.929 2.680 1.00 52.04 C ATOM 465 CE1 PHE A 31 3.717 1.972 0.738 1.00 73.23 C ATOM 466 CE2 PHE A 31 2.712 3.088 2.598 1.00 72.20 C ATOM 467 CZ PHE A 31 2.668 2.107 1.627 1.00 2.24 C ATOM 0 H PHE A 31 6.124 4.032 4.255 1.00 44.51 H new ATOM 0 HA PHE A 31 7.455 3.099 2.024 1.00 23.41 H new ATOM 0 HB2 PHE A 31 5.780 5.594 2.477 1.00 62.32 H new ATOM 0 HB3 PHE A 31 6.303 5.074 0.887 1.00 62.32 H new ATOM 0 HD1 PHE A 31 5.625 2.703 0.128 1.00 65.12 H new ATOM 0 HD2 PHE A 31 3.836 4.693 3.443 1.00 52.04 H new ATOM 0 HE1 PHE A 31 3.684 1.208 -0.024 1.00 73.23 H new ATOM 0 HE2 PHE A 31 1.892 3.198 3.293 1.00 72.20 H new ATOM 0 HZ PHE A 31 1.816 1.447 1.563 1.00 2.24 H new ATOM 477 N SER A 32 8.779 5.826 3.237 1.00 12.00 N ATOM 478 CA SER A 32 9.919 6.729 3.144 1.00 2.14 C ATOM 479 C SER A 32 11.220 5.995 3.449 1.00 44.11 C ATOM 480 O SER A 32 12.266 6.292 2.871 1.00 22.12 O ATOM 481 CB SER A 32 9.746 7.905 4.108 1.00 41.33 C ATOM 482 OG SER A 32 10.993 8.510 4.403 1.00 31.13 O ATOM 0 H SER A 32 8.221 5.938 4.083 1.00 12.00 H new ATOM 0 HA SER A 32 9.967 7.109 2.123 1.00 2.14 H new ATOM 0 HB2 SER A 32 9.075 8.643 3.669 1.00 41.33 H new ATOM 0 HB3 SER A 32 9.279 7.558 5.030 1.00 41.33 H new ATOM 0 HG SER A 32 10.855 9.259 5.019 1.00 31.13 H new ATOM 488 N LYS A 33 11.149 5.032 4.362 1.00 23.02 N ATOM 489 CA LYS A 33 12.320 4.251 4.745 1.00 33.11 C ATOM 490 C LYS A 33 12.654 3.213 3.679 1.00 42.31 C ATOM 491 O LYS A 33 13.822 2.895 3.453 1.00 5.42 O ATOM 492 CB LYS A 33 12.079 3.559 6.088 1.00 54.03 C ATOM 493 CG LYS A 33 12.589 4.349 7.280 1.00 22.11 C ATOM 494 CD LYS A 33 13.981 3.901 7.692 1.00 21.40 C ATOM 495 CE LYS A 33 15.040 4.416 6.729 1.00 73.33 C ATOM 496 NZ LYS A 33 15.063 5.904 6.674 1.00 41.13 N ATOM 0 H LYS A 33 10.292 4.773 4.851 1.00 23.02 H new ATOM 0 HA LYS A 33 13.165 4.933 4.841 1.00 33.11 H new ATOM 0 HB2 LYS A 33 11.010 3.383 6.210 1.00 54.03 H new ATOM 0 HB3 LYS A 33 12.563 2.583 6.076 1.00 54.03 H new ATOM 0 HG2 LYS A 33 12.606 5.411 7.034 1.00 22.11 H new ATOM 0 HG3 LYS A 33 11.904 4.227 8.119 1.00 22.11 H new ATOM 0 HD2 LYS A 33 14.197 4.260 8.698 1.00 21.40 H new ATOM 0 HD3 LYS A 33 14.018 2.812 7.727 1.00 21.40 H new ATOM 0 HE2 LYS A 33 16.019 4.049 7.036 1.00 73.33 H new ATOM 0 HE3 LYS A 33 14.849 4.019 5.732 1.00 73.33 H new ATOM 0 HZ1 LYS A 33 16.047 6.238 6.714 1.00 41.13 H new ATOM 0 HZ2 LYS A 33 14.624 6.225 5.787 1.00 41.13 H new ATOM 0 HZ3 LYS A 33 14.533 6.289 7.482 1.00 41.13 H new ATOM 510 N LEU A 34 11.623 2.691 3.025 1.00 60.05 N ATOM 511 CA LEU A 34 11.809 1.690 1.979 1.00 71.34 C ATOM 512 C LEU A 34 12.515 2.290 0.769 1.00 61.13 C ATOM 513 O LEU A 34 13.105 1.572 -0.038 1.00 43.41 O ATOM 514 CB LEU A 34 10.458 1.106 1.560 1.00 54.42 C ATOM 515 CG LEU A 34 9.700 0.325 2.634 1.00 23.10 C ATOM 516 CD1 LEU A 34 8.427 -0.276 2.059 1.00 2.24 C ATOM 517 CD2 LEU A 34 10.586 -0.762 3.226 1.00 74.24 C ATOM 0 H LEU A 34 10.650 2.943 3.200 1.00 60.05 H new ATOM 0 HA LEU A 34 12.434 0.892 2.380 1.00 71.34 H new ATOM 0 HB2 LEU A 34 9.823 1.923 1.217 1.00 54.42 H new ATOM 0 HB3 LEU A 34 10.619 0.448 0.706 1.00 54.42 H new ATOM 0 HG LEU A 34 9.423 1.015 3.431 1.00 23.10 H new ATOM 0 HD11 LEU A 34 7.901 -0.828 2.838 1.00 2.24 H new ATOM 0 HD12 LEU A 34 7.786 0.521 1.683 1.00 2.24 H new ATOM 0 HD13 LEU A 34 8.680 -0.953 1.243 1.00 2.24 H new ATOM 0 HD21 LEU A 34 10.031 -1.308 3.989 1.00 74.24 H new ATOM 0 HD22 LEU A 34 10.893 -1.450 2.438 1.00 74.24 H new ATOM 0 HD23 LEU A 34 11.469 -0.307 3.675 1.00 74.24 H new ATOM 529 N GLY A 35 12.452 3.613 0.648 1.00 30.25 N ATOM 530 CA GLY A 35 13.091 4.288 -0.466 1.00 32.34 C ATOM 531 C GLY A 35 12.095 4.762 -1.505 1.00 51.12 C ATOM 532 O GLY A 35 12.460 5.021 -2.651 1.00 44.10 O ATOM 0 H GLY A 35 11.969 4.229 1.302 1.00 30.25 H new ATOM 0 HA2 GLY A 35 13.657 5.142 -0.093 1.00 32.34 H new ATOM 0 HA3 GLY A 35 13.806 3.612 -0.935 1.00 32.34 H new ATOM 536 N ALA A 36 10.833 4.874 -1.105 1.00 70.20 N ATOM 537 CA ALA A 36 9.781 5.320 -2.010 1.00 63.42 C ATOM 538 C ALA A 36 9.674 6.841 -2.021 1.00 23.04 C ATOM 539 O ALA A 36 9.771 7.487 -0.977 1.00 72.24 O ATOM 540 CB ALA A 36 8.449 4.698 -1.619 1.00 74.42 C ATOM 0 H ALA A 36 10.514 4.662 -0.160 1.00 70.20 H new ATOM 0 HA ALA A 36 10.040 4.993 -3.017 1.00 63.42 H new ATOM 0 HB1 ALA A 36 7.673 5.040 -2.304 1.00 74.42 H new ATOM 0 HB2 ALA A 36 8.525 3.612 -1.671 1.00 74.42 H new ATOM 0 HB3 ALA A 36 8.193 4.996 -0.602 1.00 74.42 H new ATOM 546 N ASP A 37 9.475 7.407 -3.206 1.00 13.35 N ATOM 547 CA ASP A 37 9.355 8.853 -3.352 1.00 33.43 C ATOM 548 C ASP A 37 7.936 9.243 -3.755 1.00 33.31 C ATOM 549 O ASP A 37 7.063 8.386 -3.895 1.00 24.23 O ATOM 550 CB ASP A 37 10.353 9.367 -4.391 1.00 1.13 C ATOM 551 CG ASP A 37 10.599 8.366 -5.502 1.00 21.20 C ATOM 552 OD1 ASP A 37 11.453 7.474 -5.318 1.00 1.42 O ATOM 553 OD2 ASP A 37 9.938 8.474 -6.556 1.00 55.22 O ATOM 0 H ASP A 37 9.393 6.887 -4.080 1.00 13.35 H new ATOM 0 HA ASP A 37 9.578 9.310 -2.388 1.00 33.43 H new ATOM 0 HB2 ASP A 37 9.980 10.297 -4.820 1.00 1.13 H new ATOM 0 HB3 ASP A 37 11.298 9.599 -3.899 1.00 1.13 H new ATOM 558 N SER A 38 7.714 10.540 -3.939 1.00 71.11 N ATOM 559 CA SER A 38 6.400 11.044 -4.321 1.00 33.12 C ATOM 560 C SER A 38 5.934 10.409 -5.627 1.00 51.23 C ATOM 561 O SER A 38 4.749 10.120 -5.803 1.00 52.14 O ATOM 562 CB SER A 38 6.435 12.566 -4.464 1.00 31.34 C ATOM 563 OG SER A 38 6.773 12.947 -5.787 1.00 73.41 O ATOM 0 H SER A 38 8.427 11.261 -3.830 1.00 71.11 H new ATOM 0 HA SER A 38 5.693 10.777 -3.535 1.00 33.12 H new ATOM 0 HB2 SER A 38 5.463 12.982 -4.200 1.00 31.34 H new ATOM 0 HB3 SER A 38 7.160 12.983 -3.766 1.00 31.34 H new ATOM 0 HG SER A 38 6.787 13.925 -5.852 1.00 73.41 H new ATOM 569 N LEU A 39 6.873 10.196 -6.542 1.00 10.32 N ATOM 570 CA LEU A 39 6.561 9.596 -7.835 1.00 34.35 C ATOM 571 C LEU A 39 6.266 8.106 -7.686 1.00 10.23 C ATOM 572 O LEU A 39 5.546 7.523 -8.495 1.00 70.04 O ATOM 573 CB LEU A 39 7.721 9.803 -8.810 1.00 34.42 C ATOM 574 CG LEU A 39 8.389 11.178 -8.775 1.00 53.44 C ATOM 575 CD1 LEU A 39 9.554 11.230 -9.750 1.00 44.32 C ATOM 576 CD2 LEU A 39 7.377 12.270 -9.092 1.00 43.22 C ATOM 0 H LEU A 39 7.857 10.430 -6.413 1.00 10.32 H new ATOM 0 HA LEU A 39 5.672 10.087 -8.230 1.00 34.35 H new ATOM 0 HB2 LEU A 39 8.480 9.047 -8.607 1.00 34.42 H new ATOM 0 HB3 LEU A 39 7.356 9.624 -9.821 1.00 34.42 H new ATOM 0 HG LEU A 39 8.775 11.348 -7.770 1.00 53.44 H new ATOM 0 HD11 LEU A 39 10.017 12.216 -9.711 1.00 44.32 H new ATOM 0 HD12 LEU A 39 10.290 10.473 -9.479 1.00 44.32 H new ATOM 0 HD13 LEU A 39 9.192 11.039 -10.760 1.00 44.32 H new ATOM 0 HD21 LEU A 39 7.869 13.242 -9.063 1.00 43.22 H new ATOM 0 HD22 LEU A 39 6.961 12.104 -10.086 1.00 43.22 H new ATOM 0 HD23 LEU A 39 6.574 12.247 -8.355 1.00 43.22 H new ATOM 588 N ASP A 40 6.826 7.498 -6.646 1.00 11.52 N ATOM 589 CA ASP A 40 6.621 6.078 -6.389 1.00 42.21 C ATOM 590 C ASP A 40 5.293 5.841 -5.677 1.00 34.04 C ATOM 591 O ASP A 40 4.475 5.033 -6.117 1.00 15.00 O ATOM 592 CB ASP A 40 7.771 5.518 -5.550 1.00 41.51 C ATOM 593 CG ASP A 40 8.165 4.116 -5.970 1.00 51.34 C ATOM 594 OD1 ASP A 40 7.429 3.166 -5.630 1.00 11.52 O ATOM 595 OD2 ASP A 40 9.209 3.967 -6.640 1.00 13.44 O ATOM 0 H ASP A 40 7.426 7.967 -5.967 1.00 11.52 H new ATOM 0 HA ASP A 40 6.596 5.560 -7.348 1.00 42.21 H new ATOM 0 HB2 ASP A 40 8.635 6.177 -5.638 1.00 41.51 H new ATOM 0 HB3 ASP A 40 7.481 5.511 -4.499 1.00 41.51 H new ATOM 600 N THR A 41 5.086 6.550 -4.571 1.00 50.00 N ATOM 601 CA THR A 41 3.859 6.415 -3.796 1.00 31.41 C ATOM 602 C THR A 41 2.630 6.479 -4.694 1.00 2.41 C ATOM 603 O THR A 41 1.765 5.605 -4.645 1.00 1.22 O ATOM 604 CB THR A 41 3.751 7.512 -2.719 1.00 45.01 C ATOM 605 OG1 THR A 41 5.034 7.744 -2.126 1.00 42.03 O ATOM 606 CG2 THR A 41 2.754 7.116 -1.641 1.00 33.41 C ATOM 0 H THR A 41 5.752 7.223 -4.192 1.00 50.00 H new ATOM 0 HA THR A 41 3.899 5.440 -3.310 1.00 31.41 H new ATOM 0 HB THR A 41 3.401 8.427 -3.198 1.00 45.01 H new ATOM 0 HG1 THR A 41 4.957 8.444 -1.444 1.00 42.03 H new ATOM 0 HG21 THR A 41 2.695 7.906 -0.892 1.00 33.41 H new ATOM 0 HG22 THR A 41 1.772 6.968 -2.090 1.00 33.41 H new ATOM 0 HG23 THR A 41 3.079 6.190 -1.167 1.00 33.41 H new ATOM 614 N VAL A 42 2.558 7.522 -5.517 1.00 45.24 N ATOM 615 CA VAL A 42 1.435 7.699 -6.430 1.00 44.20 C ATOM 616 C VAL A 42 1.198 6.443 -7.260 1.00 41.51 C ATOM 617 O VAL A 42 0.059 6.103 -7.577 1.00 13.21 O ATOM 618 CB VAL A 42 1.665 8.892 -7.378 1.00 32.43 C ATOM 619 CG1 VAL A 42 2.949 8.704 -8.171 1.00 23.33 C ATOM 620 CG2 VAL A 42 0.475 9.070 -8.307 1.00 43.23 C ATOM 0 H VAL A 42 3.264 8.256 -5.570 1.00 45.24 H new ATOM 0 HA VAL A 42 0.556 7.896 -5.816 1.00 44.20 H new ATOM 0 HB VAL A 42 1.767 9.797 -6.778 1.00 32.43 H new ATOM 0 HG11 VAL A 42 3.095 9.556 -8.835 1.00 23.33 H new ATOM 0 HG12 VAL A 42 3.793 8.630 -7.485 1.00 23.33 H new ATOM 0 HG13 VAL A 42 2.881 7.791 -8.762 1.00 23.33 H new ATOM 0 HG21 VAL A 42 0.654 9.917 -8.970 1.00 43.23 H new ATOM 0 HG22 VAL A 42 0.339 8.166 -8.901 1.00 43.23 H new ATOM 0 HG23 VAL A 42 -0.423 9.255 -7.717 1.00 43.23 H new ATOM 630 N GLU A 43 2.283 5.758 -7.610 1.00 53.11 N ATOM 631 CA GLU A 43 2.192 4.539 -8.405 1.00 30.03 C ATOM 632 C GLU A 43 1.681 3.375 -7.559 1.00 44.34 C ATOM 633 O GLU A 43 1.023 2.468 -8.068 1.00 61.23 O ATOM 634 CB GLU A 43 3.556 4.189 -9.002 1.00 24.12 C ATOM 635 CG GLU A 43 3.679 4.525 -10.479 1.00 35.32 C ATOM 636 CD GLU A 43 5.121 4.627 -10.936 1.00 14.53 C ATOM 637 OE1 GLU A 43 5.884 3.665 -10.709 1.00 64.11 O ATOM 638 OE2 GLU A 43 5.487 5.668 -11.520 1.00 12.13 O ATOM 0 H GLU A 43 3.234 6.026 -7.356 1.00 53.11 H new ATOM 0 HA GLU A 43 1.484 4.716 -9.215 1.00 30.03 H new ATOM 0 HB2 GLU A 43 4.332 4.721 -8.451 1.00 24.12 H new ATOM 0 HB3 GLU A 43 3.741 3.124 -8.864 1.00 24.12 H new ATOM 0 HG2 GLU A 43 3.169 3.761 -11.065 1.00 35.32 H new ATOM 0 HG3 GLU A 43 3.172 5.469 -10.676 1.00 35.32 H new ATOM 645 N ILE A 44 1.990 3.410 -6.268 1.00 62.42 N ATOM 646 CA ILE A 44 1.563 2.359 -5.353 1.00 12.22 C ATOM 647 C ILE A 44 0.042 2.258 -5.303 1.00 54.12 C ATOM 648 O ILE A 44 -0.528 1.188 -5.515 1.00 44.23 O ATOM 649 CB ILE A 44 2.096 2.602 -3.929 1.00 23.34 C ATOM 650 CG1 ILE A 44 3.612 2.808 -3.956 1.00 50.33 C ATOM 651 CG2 ILE A 44 1.731 1.438 -3.020 1.00 65.44 C ATOM 652 CD1 ILE A 44 4.346 1.779 -4.786 1.00 40.12 C ATOM 0 H ILE A 44 2.534 4.154 -5.832 1.00 62.42 H new ATOM 0 HA ILE A 44 1.975 1.424 -5.732 1.00 12.22 H new ATOM 0 HB ILE A 44 1.632 3.506 -3.534 1.00 23.34 H new ATOM 0 HG12 ILE A 44 3.829 3.801 -4.349 1.00 50.33 H new ATOM 0 HG13 ILE A 44 3.993 2.779 -2.935 1.00 50.33 H new ATOM 0 HG21 ILE A 44 2.115 1.625 -2.017 1.00 65.44 H new ATOM 0 HG22 ILE A 44 0.647 1.334 -2.980 1.00 65.44 H new ATOM 0 HG23 ILE A 44 2.169 0.520 -3.411 1.00 65.44 H new ATOM 0 HD11 ILE A 44 5.416 1.987 -4.760 1.00 40.12 H new ATOM 0 HD12 ILE A 44 4.159 0.784 -4.381 1.00 40.12 H new ATOM 0 HD13 ILE A 44 3.993 1.823 -5.816 1.00 40.12 H new ATOM 664 N VAL A 45 -0.611 3.381 -5.025 1.00 15.15 N ATOM 665 CA VAL A 45 -2.068 3.422 -4.950 1.00 64.24 C ATOM 666 C VAL A 45 -2.697 2.992 -6.271 1.00 32.31 C ATOM 667 O VAL A 45 -3.770 2.389 -6.291 1.00 1.45 O ATOM 668 CB VAL A 45 -2.572 4.831 -4.587 1.00 74.05 C ATOM 669 CG1 VAL A 45 -2.042 5.859 -5.575 1.00 22.31 C ATOM 670 CG2 VAL A 45 -4.093 4.856 -4.546 1.00 31.30 C ATOM 0 H VAL A 45 -0.155 4.276 -4.848 1.00 15.15 H new ATOM 0 HA VAL A 45 -2.365 2.726 -4.166 1.00 64.24 H new ATOM 0 HB VAL A 45 -2.198 5.088 -3.596 1.00 74.05 H new ATOM 0 HG11 VAL A 45 -2.409 6.849 -5.302 1.00 22.31 H new ATOM 0 HG12 VAL A 45 -0.952 5.857 -5.553 1.00 22.31 H new ATOM 0 HG13 VAL A 45 -2.385 5.609 -6.579 1.00 22.31 H new ATOM 0 HG21 VAL A 45 -4.434 5.859 -4.288 1.00 31.30 H new ATOM 0 HG22 VAL A 45 -4.488 4.579 -5.523 1.00 31.30 H new ATOM 0 HG23 VAL A 45 -4.448 4.148 -3.797 1.00 31.30 H new ATOM 680 N MET A 46 -2.022 3.304 -7.371 1.00 44.40 N ATOM 681 CA MET A 46 -2.514 2.949 -8.697 1.00 22.41 C ATOM 682 C MET A 46 -2.534 1.435 -8.881 1.00 33.52 C ATOM 683 O MET A 46 -3.516 0.872 -9.362 1.00 54.34 O ATOM 684 CB MET A 46 -1.644 3.594 -9.778 1.00 54.22 C ATOM 685 CG MET A 46 -2.360 3.772 -11.107 1.00 21.44 C ATOM 686 SD MET A 46 -1.273 4.402 -12.401 1.00 34.11 S ATOM 687 CE MET A 46 -0.767 5.965 -11.688 1.00 71.30 C ATOM 0 H MET A 46 -1.132 3.802 -7.371 1.00 44.40 H new ATOM 0 HA MET A 46 -3.533 3.323 -8.791 1.00 22.41 H new ATOM 0 HB2 MET A 46 -1.302 4.567 -9.425 1.00 54.22 H new ATOM 0 HB3 MET A 46 -0.756 2.981 -9.932 1.00 54.22 H new ATOM 0 HG2 MET A 46 -2.777 2.815 -11.422 1.00 21.44 H new ATOM 0 HG3 MET A 46 -3.197 4.457 -10.975 1.00 21.44 H new ATOM 0 HE1 MET A 46 -0.704 6.719 -12.472 1.00 71.30 H new ATOM 0 HE2 MET A 46 -1.497 6.278 -10.941 1.00 71.30 H new ATOM 0 HE3 MET A 46 0.209 5.851 -11.216 1.00 71.30 H new ATOM 697 N ASN A 47 -1.443 0.781 -8.495 1.00 12.11 N ATOM 698 CA ASN A 47 -1.337 -0.668 -8.618 1.00 42.21 C ATOM 699 C ASN A 47 -2.302 -1.367 -7.666 1.00 62.42 C ATOM 700 O ASN A 47 -2.915 -2.376 -8.016 1.00 71.25 O ATOM 701 CB ASN A 47 0.097 -1.121 -8.333 1.00 3.23 C ATOM 702 CG ASN A 47 1.014 -0.923 -9.525 1.00 33.01 C ATOM 703 OD1 ASN A 47 1.501 -1.889 -10.114 1.00 14.45 O ATOM 704 ND2 ASN A 47 1.253 0.332 -9.885 1.00 30.31 N ATOM 0 H ASN A 47 -0.620 1.232 -8.095 1.00 12.11 H new ATOM 0 HA ASN A 47 -1.601 -0.941 -9.640 1.00 42.21 H new ATOM 0 HB2 ASN A 47 0.488 -0.565 -7.481 1.00 3.23 H new ATOM 0 HB3 ASN A 47 0.093 -2.174 -8.052 1.00 3.23 H new ATOM 0 HD21 ASN A 47 1.862 0.527 -10.679 1.00 30.31 H new ATOM 0 HD22 ASN A 47 0.827 1.101 -9.367 1.00 30.31 H new ATOM 711 N LEU A 48 -2.432 -0.825 -6.460 1.00 42.13 N ATOM 712 CA LEU A 48 -3.323 -1.397 -5.456 1.00 22.13 C ATOM 713 C LEU A 48 -4.782 -1.245 -5.874 1.00 2.24 C ATOM 714 O LEU A 48 -5.570 -2.183 -5.761 1.00 1.14 O ATOM 715 CB LEU A 48 -3.095 -0.723 -4.101 1.00 52.33 C ATOM 716 CG LEU A 48 -1.729 -0.956 -3.457 1.00 72.44 C ATOM 717 CD1 LEU A 48 -1.489 0.044 -2.337 1.00 54.54 C ATOM 718 CD2 LEU A 48 -1.622 -2.381 -2.934 1.00 1.05 C ATOM 0 H LEU A 48 -1.932 0.010 -6.154 1.00 42.13 H new ATOM 0 HA LEU A 48 -3.098 -2.460 -5.368 1.00 22.13 H new ATOM 0 HB2 LEU A 48 -3.238 0.351 -4.223 1.00 52.33 H new ATOM 0 HB3 LEU A 48 -3.864 -1.071 -3.411 1.00 52.33 H new ATOM 0 HG LEU A 48 -0.961 -0.810 -4.217 1.00 72.44 H new ATOM 0 HD11 LEU A 48 -0.511 -0.138 -1.890 1.00 54.54 H new ATOM 0 HD12 LEU A 48 -1.522 1.056 -2.740 1.00 54.54 H new ATOM 0 HD13 LEU A 48 -2.262 -0.069 -1.577 1.00 54.54 H new ATOM 0 HD21 LEU A 48 -0.643 -2.529 -2.479 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.398 -2.554 -2.189 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -1.748 -3.082 -3.759 1.00 1.05 H new ATOM 730 N GLU A 49 -5.133 -0.058 -6.359 1.00 31.44 N ATOM 731 CA GLU A 49 -6.497 0.215 -6.795 1.00 52.13 C ATOM 732 C GLU A 49 -6.950 -0.805 -7.836 1.00 33.21 C ATOM 733 O GLU A 49 -8.097 -1.251 -7.823 1.00 54.42 O ATOM 734 CB GLU A 49 -6.599 1.628 -7.372 1.00 41.40 C ATOM 735 CG GLU A 49 -6.772 2.707 -6.316 1.00 32.12 C ATOM 736 CD GLU A 49 -6.795 4.103 -6.906 1.00 53.32 C ATOM 737 OE1 GLU A 49 -6.966 4.224 -8.137 1.00 63.32 O ATOM 738 OE2 GLU A 49 -6.642 5.075 -6.138 1.00 33.22 O ATOM 0 H GLU A 49 -4.492 0.729 -6.460 1.00 31.44 H new ATOM 0 HA GLU A 49 -7.151 0.137 -5.926 1.00 52.13 H new ATOM 0 HB2 GLU A 49 -5.701 1.840 -7.952 1.00 41.40 H new ATOM 0 HB3 GLU A 49 -7.441 1.669 -8.063 1.00 41.40 H new ATOM 0 HG2 GLU A 49 -7.700 2.532 -5.771 1.00 32.12 H new ATOM 0 HG3 GLU A 49 -5.960 2.636 -5.593 1.00 32.12 H new ATOM 745 N GLU A 50 -6.041 -1.169 -8.733 1.00 43.25 N ATOM 746 CA GLU A 50 -6.348 -2.136 -9.782 1.00 1.43 C ATOM 747 C GLU A 50 -6.401 -3.552 -9.218 1.00 33.14 C ATOM 748 O GLU A 50 -7.104 -4.414 -9.744 1.00 32.52 O ATOM 749 CB GLU A 50 -5.305 -2.058 -10.899 1.00 31.43 C ATOM 750 CG GLU A 50 -5.677 -2.856 -12.136 1.00 72.14 C ATOM 751 CD GLU A 50 -4.469 -3.241 -12.969 1.00 35.44 C ATOM 752 OE1 GLU A 50 -3.852 -2.339 -13.571 1.00 14.23 O ATOM 753 OE2 GLU A 50 -4.142 -4.446 -13.017 1.00 34.34 O ATOM 0 H GLU A 50 -5.086 -0.810 -8.756 1.00 43.25 H new ATOM 0 HA GLU A 50 -7.328 -1.890 -10.192 1.00 1.43 H new ATOM 0 HB2 GLU A 50 -5.163 -1.014 -11.179 1.00 31.43 H new ATOM 0 HB3 GLU A 50 -4.350 -2.419 -10.518 1.00 31.43 H new ATOM 0 HG2 GLU A 50 -6.208 -3.759 -11.835 1.00 72.14 H new ATOM 0 HG3 GLU A 50 -6.364 -2.271 -12.748 1.00 72.14 H new ATOM 760 N GLU A 51 -5.652 -3.784 -8.144 1.00 1.04 N ATOM 761 CA GLU A 51 -5.613 -5.096 -7.509 1.00 5.24 C ATOM 762 C GLU A 51 -6.906 -5.371 -6.748 1.00 23.04 C ATOM 763 O GLU A 51 -7.515 -6.429 -6.899 1.00 41.23 O ATOM 764 CB GLU A 51 -4.418 -5.191 -6.558 1.00 4.12 C ATOM 765 CG GLU A 51 -4.028 -6.619 -6.211 1.00 1.31 C ATOM 766 CD GLU A 51 -3.409 -7.355 -7.383 1.00 70.24 C ATOM 767 OE1 GLU A 51 -2.220 -7.111 -7.677 1.00 1.23 O ATOM 768 OE2 GLU A 51 -4.113 -8.178 -8.005 1.00 21.32 O ATOM 0 H GLU A 51 -5.065 -3.081 -7.696 1.00 1.04 H new ATOM 0 HA GLU A 51 -5.506 -5.847 -8.292 1.00 5.24 H new ATOM 0 HB2 GLU A 51 -3.563 -4.690 -7.011 1.00 4.12 H new ATOM 0 HB3 GLU A 51 -4.652 -4.654 -5.639 1.00 4.12 H new ATOM 0 HG2 GLU A 51 -3.322 -6.607 -5.380 1.00 1.31 H new ATOM 0 HG3 GLU A 51 -4.911 -7.161 -5.872 1.00 1.31 H new ATOM 775 N PHE A 52 -7.318 -4.409 -5.927 1.00 62.14 N ATOM 776 CA PHE A 52 -8.538 -4.548 -5.140 1.00 43.34 C ATOM 777 C PHE A 52 -9.720 -3.893 -5.850 1.00 22.34 C ATOM 778 O PHE A 52 -10.790 -3.725 -5.268 1.00 15.41 O ATOM 779 CB PHE A 52 -8.350 -3.924 -3.756 1.00 43.10 C ATOM 780 CG PHE A 52 -7.123 -4.412 -3.040 1.00 73.23 C ATOM 781 CD1 PHE A 52 -7.131 -5.627 -2.373 1.00 14.23 C ATOM 782 CD2 PHE A 52 -5.962 -3.656 -3.033 1.00 22.01 C ATOM 783 CE1 PHE A 52 -6.004 -6.078 -1.713 1.00 62.05 C ATOM 784 CE2 PHE A 52 -4.831 -4.104 -2.376 1.00 40.51 C ATOM 785 CZ PHE A 52 -4.852 -5.315 -1.714 1.00 73.32 C ATOM 0 H PHE A 52 -6.825 -3.526 -5.790 1.00 62.14 H new ATOM 0 HA PHE A 52 -8.749 -5.611 -5.026 1.00 43.34 H new ATOM 0 HB2 PHE A 52 -8.294 -2.840 -3.859 1.00 43.10 H new ATOM 0 HB3 PHE A 52 -9.227 -4.141 -3.146 1.00 43.10 H new ATOM 0 HD1 PHE A 52 -8.028 -6.228 -2.369 1.00 14.23 H new ATOM 0 HD2 PHE A 52 -5.940 -2.706 -3.546 1.00 22.01 H new ATOM 0 HE1 PHE A 52 -6.023 -7.026 -1.197 1.00 62.05 H new ATOM 0 HE2 PHE A 52 -3.931 -3.507 -2.381 1.00 40.51 H new ATOM 0 HZ PHE A 52 -3.970 -5.665 -1.198 1.00 73.32 H new ATOM 795 N GLY A 53 -9.516 -3.526 -7.111 1.00 53.32 N ATOM 796 CA GLY A 53 -10.572 -2.893 -7.880 1.00 33.02 C ATOM 797 C GLY A 53 -11.180 -1.705 -7.161 1.00 22.45 C ATOM 798 O GLY A 53 -12.348 -1.377 -7.368 1.00 35.41 O ATOM 0 H GLY A 53 -8.638 -3.656 -7.614 1.00 53.32 H new ATOM 0 HA2 GLY A 53 -10.173 -2.567 -8.840 1.00 33.02 H new ATOM 0 HA3 GLY A 53 -11.352 -3.624 -8.091 1.00 33.02 H new ATOM 802 N ILE A 54 -10.385 -1.058 -6.314 1.00 53.21 N ATOM 803 CA ILE A 54 -10.853 0.101 -5.562 1.00 64.24 C ATOM 804 C ILE A 54 -10.341 1.398 -6.179 1.00 74.04 C ATOM 805 O ILE A 54 -9.622 1.381 -7.176 1.00 42.51 O ATOM 806 CB ILE A 54 -10.406 0.033 -4.090 1.00 22.20 C ATOM 807 CG1 ILE A 54 -8.878 0.020 -3.998 1.00 70.20 C ATOM 808 CG2 ILE A 54 -10.993 -1.196 -3.414 1.00 75.13 C ATOM 809 CD1 ILE A 54 -8.356 0.214 -2.592 1.00 21.30 C ATOM 0 H ILE A 54 -9.415 -1.316 -6.132 1.00 53.21 H new ATOM 0 HA ILE A 54 -11.942 0.087 -5.603 1.00 64.24 H new ATOM 0 HB ILE A 54 -10.775 0.919 -3.573 1.00 22.20 H new ATOM 0 HG12 ILE A 54 -8.507 -0.928 -4.387 1.00 70.20 H new ATOM 0 HG13 ILE A 54 -8.477 0.806 -4.638 1.00 70.20 H new ATOM 0 HG21 ILE A 54 -10.668 -1.230 -2.374 1.00 75.13 H new ATOM 0 HG22 ILE A 54 -12.081 -1.147 -3.452 1.00 75.13 H new ATOM 0 HG23 ILE A 54 -10.651 -2.093 -3.930 1.00 75.13 H new ATOM 0 HD11 ILE A 54 -7.266 0.194 -2.602 1.00 21.30 H new ATOM 0 HD12 ILE A 54 -8.697 1.175 -2.206 1.00 21.30 H new ATOM 0 HD13 ILE A 54 -8.728 -0.586 -1.952 1.00 21.30 H new ATOM 821 N ASN A 55 -10.717 2.521 -5.576 1.00 2.43 N ATOM 822 CA ASN A 55 -10.296 3.829 -6.065 1.00 24.34 C ATOM 823 C ASN A 55 -10.198 4.833 -4.920 1.00 75.43 C ATOM 824 O ASN A 55 -11.126 4.971 -4.122 1.00 30.15 O ATOM 825 CB ASN A 55 -11.273 4.340 -7.124 1.00 52.34 C ATOM 826 CG ASN A 55 -12.702 4.387 -6.618 1.00 34.00 C ATOM 827 OD1 ASN A 55 -13.179 5.429 -6.169 1.00 12.34 O ATOM 828 ND2 ASN A 55 -13.392 3.255 -6.688 1.00 62.20 N ATOM 0 H ASN A 55 -11.312 2.552 -4.748 1.00 2.43 H new ATOM 0 HA ASN A 55 -9.309 3.720 -6.514 1.00 24.34 H new ATOM 0 HB2 ASN A 55 -10.970 5.338 -7.442 1.00 52.34 H new ATOM 0 HB3 ASN A 55 -11.222 3.696 -8.002 1.00 52.34 H new ATOM 0 HD21 ASN A 55 -14.358 3.226 -6.362 1.00 62.20 H new ATOM 0 HD22 ASN A 55 -12.956 2.415 -7.068 1.00 62.20 H new ATOM 835 N VAL A 56 -9.070 5.531 -4.845 1.00 71.31 N ATOM 836 CA VAL A 56 -8.853 6.523 -3.799 1.00 45.43 C ATOM 837 C VAL A 56 -7.947 7.647 -4.288 1.00 4.12 C ATOM 838 O VAL A 56 -7.031 7.421 -5.080 1.00 72.11 O ATOM 839 CB VAL A 56 -8.229 5.886 -2.542 1.00 52.23 C ATOM 840 CG1 VAL A 56 -6.906 5.217 -2.883 1.00 54.25 C ATOM 841 CG2 VAL A 56 -8.043 6.931 -1.453 1.00 23.11 C ATOM 0 H VAL A 56 -8.292 5.428 -5.496 1.00 71.31 H new ATOM 0 HA VAL A 56 -9.830 6.932 -3.543 1.00 45.43 H new ATOM 0 HB VAL A 56 -8.909 5.121 -2.167 1.00 52.23 H new ATOM 0 HG11 VAL A 56 -6.480 4.773 -1.983 1.00 54.25 H new ATOM 0 HG12 VAL A 56 -7.073 4.439 -3.628 1.00 54.25 H new ATOM 0 HG13 VAL A 56 -6.215 5.959 -3.283 1.00 54.25 H new ATOM 0 HG21 VAL A 56 -7.601 6.464 -0.573 1.00 23.11 H new ATOM 0 HG22 VAL A 56 -7.384 7.720 -1.815 1.00 23.11 H new ATOM 0 HG23 VAL A 56 -9.010 7.359 -1.190 1.00 23.11 H new ATOM 851 N ASP A 57 -8.207 8.860 -3.812 1.00 73.20 N ATOM 852 CA ASP A 57 -7.415 10.020 -4.199 1.00 43.52 C ATOM 853 C ASP A 57 -6.084 10.043 -3.453 1.00 42.44 C ATOM 854 O ASP A 57 -5.971 9.510 -2.350 1.00 43.12 O ATOM 855 CB ASP A 57 -8.189 11.310 -3.923 1.00 35.11 C ATOM 856 CG ASP A 57 -7.616 12.501 -4.664 1.00 61.40 C ATOM 857 OD1 ASP A 57 -7.793 12.573 -5.898 1.00 33.54 O ATOM 858 OD2 ASP A 57 -6.989 13.361 -4.011 1.00 24.33 O ATOM 0 H ASP A 57 -8.961 9.065 -3.157 1.00 73.20 H new ATOM 0 HA ASP A 57 -7.212 9.949 -5.268 1.00 43.52 H new ATOM 0 HB2 ASP A 57 -9.231 11.173 -4.212 1.00 35.11 H new ATOM 0 HB3 ASP A 57 -8.179 11.514 -2.852 1.00 35.11 H new ATOM 863 N GLU A 58 -5.078 10.661 -4.066 1.00 34.21 N ATOM 864 CA GLU A 58 -3.755 10.750 -3.460 1.00 42.42 C ATOM 865 C GLU A 58 -3.787 11.626 -2.211 1.00 2.22 C ATOM 866 O GLU A 58 -3.146 11.316 -1.206 1.00 64.21 O ATOM 867 CB GLU A 58 -2.747 11.312 -4.465 1.00 21.43 C ATOM 868 CG GLU A 58 -1.337 11.431 -3.911 1.00 62.33 C ATOM 869 CD GLU A 58 -0.615 10.098 -3.863 1.00 0.31 C ATOM 870 OE1 GLU A 58 -1.022 9.177 -4.602 1.00 74.11 O ATOM 871 OE2 GLU A 58 0.356 9.976 -3.088 1.00 22.23 O ATOM 0 H GLU A 58 -5.155 11.106 -4.980 1.00 34.21 H new ATOM 0 HA GLU A 58 -3.447 9.745 -3.170 1.00 42.42 H new ATOM 0 HB2 GLU A 58 -2.729 10.671 -5.346 1.00 21.43 H new ATOM 0 HB3 GLU A 58 -3.084 12.295 -4.793 1.00 21.43 H new ATOM 0 HG2 GLU A 58 -0.767 12.127 -4.526 1.00 62.33 H new ATOM 0 HG3 GLU A 58 -1.379 11.853 -2.907 1.00 62.33 H new ATOM 878 N ASP A 59 -4.536 12.721 -2.281 1.00 42.14 N ATOM 879 CA ASP A 59 -4.651 13.641 -1.157 1.00 14.55 C ATOM 880 C ASP A 59 -5.125 12.912 0.097 1.00 21.22 C ATOM 881 O ASP A 59 -4.846 13.337 1.219 1.00 54.54 O ATOM 882 CB ASP A 59 -5.620 14.776 -1.497 1.00 24.45 C ATOM 883 CG ASP A 59 -5.555 15.912 -0.495 1.00 43.32 C ATOM 884 OD1 ASP A 59 -4.678 16.789 -0.648 1.00 25.35 O ATOM 885 OD2 ASP A 59 -6.381 15.926 0.441 1.00 74.44 O ATOM 0 H ASP A 59 -5.072 12.993 -3.105 1.00 42.14 H new ATOM 0 HA ASP A 59 -3.664 14.060 -0.961 1.00 14.55 H new ATOM 0 HB2 ASP A 59 -5.392 15.159 -2.492 1.00 24.45 H new ATOM 0 HB3 ASP A 59 -6.636 14.384 -1.532 1.00 24.45 H new ATOM 890 N LYS A 60 -5.842 11.812 -0.101 1.00 72.25 N ATOM 891 CA LYS A 60 -6.354 11.022 1.012 1.00 72.13 C ATOM 892 C LYS A 60 -5.287 10.069 1.540 1.00 30.22 C ATOM 893 O LYS A 60 -5.314 9.676 2.707 1.00 5.00 O ATOM 894 CB LYS A 60 -7.589 10.229 0.577 1.00 14.11 C ATOM 895 CG LYS A 60 -8.898 10.963 0.812 1.00 13.21 C ATOM 896 CD LYS A 60 -10.050 9.996 1.027 1.00 25.11 C ATOM 897 CE LYS A 60 -11.391 10.712 0.997 1.00 71.42 C ATOM 898 NZ LYS A 60 -11.635 11.486 2.246 1.00 73.21 N ATOM 0 H LYS A 60 -6.082 11.447 -1.023 1.00 72.25 H new ATOM 0 HA LYS A 60 -6.633 11.708 1.812 1.00 72.13 H new ATOM 0 HB2 LYS A 60 -7.502 9.990 -0.483 1.00 14.11 H new ATOM 0 HB3 LYS A 60 -7.611 9.282 1.117 1.00 14.11 H new ATOM 0 HG2 LYS A 60 -8.800 11.613 1.682 1.00 13.21 H new ATOM 0 HG3 LYS A 60 -9.115 11.604 -0.042 1.00 13.21 H new ATOM 0 HD2 LYS A 60 -10.030 9.227 0.255 1.00 25.11 H new ATOM 0 HD3 LYS A 60 -9.928 9.490 1.985 1.00 25.11 H new ATOM 0 HE2 LYS A 60 -11.424 11.385 0.140 1.00 71.42 H new ATOM 0 HE3 LYS A 60 -12.189 9.982 0.860 1.00 71.42 H new ATOM 0 HZ1 LYS A 60 -12.559 11.959 2.186 1.00 73.21 H new ATOM 0 HZ2 LYS A 60 -11.629 10.840 3.061 1.00 73.21 H new ATOM 0 HZ3 LYS A 60 -10.888 12.200 2.364 1.00 73.21 H new ATOM 912 N ALA A 61 -4.347 9.703 0.676 1.00 4.50 N ATOM 913 CA ALA A 61 -3.268 8.799 1.056 1.00 22.05 C ATOM 914 C ALA A 61 -2.019 9.576 1.461 1.00 73.44 C ATOM 915 O ALA A 61 -0.899 9.097 1.289 1.00 1.25 O ATOM 916 CB ALA A 61 -2.951 7.845 -0.085 1.00 53.43 C ATOM 0 H ALA A 61 -4.310 10.019 -0.293 1.00 4.50 H new ATOM 0 HA ALA A 61 -3.600 8.219 1.917 1.00 22.05 H new ATOM 0 HB1 ALA A 61 -2.144 7.176 0.213 1.00 53.43 H new ATOM 0 HB2 ALA A 61 -3.838 7.258 -0.326 1.00 53.43 H new ATOM 0 HB3 ALA A 61 -2.644 8.415 -0.962 1.00 53.43 H new ATOM 922 N GLN A 62 -2.222 10.774 1.998 1.00 3.24 N ATOM 923 CA GLN A 62 -1.110 11.616 2.425 1.00 31.24 C ATOM 924 C GLN A 62 -0.568 11.158 3.776 1.00 51.32 C ATOM 925 O GLN A 62 0.632 10.931 3.928 1.00 31.24 O ATOM 926 CB GLN A 62 -1.554 13.078 2.510 1.00 3.31 C ATOM 927 CG GLN A 62 -1.836 13.707 1.155 1.00 15.05 C ATOM 928 CD GLN A 62 -0.603 14.333 0.534 1.00 73.13 C ATOM 929 OE1 GLN A 62 0.314 14.755 1.237 1.00 23.32 O ATOM 930 NE2 GLN A 62 -0.576 14.395 -0.792 1.00 1.44 N ATOM 0 H GLN A 62 -3.144 11.183 2.148 1.00 3.24 H new ATOM 0 HA GLN A 62 -0.314 11.527 1.685 1.00 31.24 H new ATOM 0 HB2 GLN A 62 -2.452 13.141 3.125 1.00 3.31 H new ATOM 0 HB3 GLN A 62 -0.780 13.655 3.016 1.00 3.31 H new ATOM 0 HG2 GLN A 62 -2.231 12.947 0.481 1.00 15.05 H new ATOM 0 HG3 GLN A 62 -2.609 14.468 1.266 1.00 15.05 H new ATOM 0 HE21 GLN A 62 -1.359 14.032 -1.336 1.00 1.44 H new ATOM 0 HE22 GLN A 62 0.228 14.805 -1.267 1.00 1.44 H new ATOM 939 N ASP A 63 -1.459 11.026 4.751 1.00 72.40 N ATOM 940 CA ASP A 63 -1.070 10.594 6.089 1.00 1.52 C ATOM 941 C ASP A 63 -0.375 9.238 6.041 1.00 61.21 C ATOM 942 O ASP A 63 0.419 8.905 6.921 1.00 4.24 O ATOM 943 CB ASP A 63 -2.296 10.522 7.001 1.00 41.23 C ATOM 944 CG ASP A 63 -2.626 11.858 7.635 1.00 12.12 C ATOM 945 OD1 ASP A 63 -1.687 12.557 8.071 1.00 65.31 O ATOM 946 OD2 ASP A 63 -3.824 12.207 7.695 1.00 4.10 O ATOM 0 H ASP A 63 -2.456 11.212 4.641 1.00 72.40 H new ATOM 0 HA ASP A 63 -0.370 11.326 6.492 1.00 1.52 H new ATOM 0 HB2 ASP A 63 -3.154 10.175 6.425 1.00 41.23 H new ATOM 0 HB3 ASP A 63 -2.119 9.785 7.785 1.00 41.23 H new ATOM 951 N ILE A 64 -0.680 8.458 5.009 1.00 21.31 N ATOM 952 CA ILE A 64 -0.084 7.138 4.847 1.00 52.14 C ATOM 953 C ILE A 64 1.436 7.205 4.944 1.00 64.30 C ATOM 954 O ILE A 64 2.094 7.836 4.115 1.00 20.32 O ATOM 955 CB ILE A 64 -0.474 6.506 3.498 1.00 52.24 C ATOM 956 CG1 ILE A 64 -1.996 6.436 3.364 1.00 52.13 C ATOM 957 CG2 ILE A 64 0.139 5.120 3.366 1.00 3.11 C ATOM 958 CD1 ILE A 64 -2.657 5.577 4.420 1.00 43.31 C ATOM 0 H ILE A 64 -1.336 8.718 4.273 1.00 21.31 H new ATOM 0 HA ILE A 64 -0.470 6.517 5.655 1.00 52.14 H new ATOM 0 HB ILE A 64 -0.086 7.132 2.694 1.00 52.24 H new ATOM 0 HG12 ILE A 64 -2.404 7.445 3.420 1.00 52.13 H new ATOM 0 HG13 ILE A 64 -2.248 6.044 2.379 1.00 52.13 H new ATOM 0 HG21 ILE A 64 -0.146 4.686 2.407 1.00 3.11 H new ATOM 0 HG22 ILE A 64 1.225 5.196 3.422 1.00 3.11 H new ATOM 0 HG23 ILE A 64 -0.223 4.484 4.174 1.00 3.11 H new ATOM 0 HD11 ILE A 64 -3.736 5.573 4.263 1.00 43.31 H new ATOM 0 HD12 ILE A 64 -2.277 4.558 4.350 1.00 43.31 H new ATOM 0 HD13 ILE A 64 -2.435 5.980 5.408 1.00 43.31 H new ATOM 970 N SER A 65 1.989 6.549 5.959 1.00 14.23 N ATOM 971 CA SER A 65 3.433 6.536 6.165 1.00 31.22 C ATOM 972 C SER A 65 3.975 5.111 6.119 1.00 53.13 C ATOM 973 O SER A 65 5.078 4.869 5.629 1.00 50.01 O ATOM 974 CB SER A 65 3.783 7.185 7.506 1.00 71.41 C ATOM 975 OG SER A 65 5.072 7.772 7.467 1.00 14.21 O ATOM 0 H SER A 65 1.459 6.020 6.652 1.00 14.23 H new ATOM 0 HA SER A 65 3.896 7.108 5.361 1.00 31.22 H new ATOM 0 HB2 SER A 65 3.041 7.945 7.750 1.00 71.41 H new ATOM 0 HB3 SER A 65 3.745 6.436 8.297 1.00 71.41 H new ATOM 0 HG SER A 65 5.271 8.181 8.335 1.00 14.21 H new ATOM 981 N THR A 66 3.191 4.170 6.634 1.00 30.40 N ATOM 982 CA THR A 66 3.591 2.768 6.653 1.00 11.22 C ATOM 983 C THR A 66 2.646 1.914 5.815 1.00 3.45 C ATOM 984 O THR A 66 1.553 2.353 5.457 1.00 51.22 O ATOM 985 CB THR A 66 3.626 2.214 8.090 1.00 22.31 C ATOM 986 OG1 THR A 66 2.293 2.031 8.578 1.00 72.01 O ATOM 987 CG2 THR A 66 4.385 3.154 9.014 1.00 62.52 C ATOM 0 H THR A 66 2.275 4.353 7.044 1.00 30.40 H new ATOM 0 HA THR A 66 4.593 2.720 6.227 1.00 11.22 H new ATOM 0 HB THR A 66 4.140 1.253 8.072 1.00 22.31 H new ATOM 0 HG1 THR A 66 2.325 1.677 9.491 1.00 72.01 H new ATOM 0 HG21 THR A 66 4.396 2.742 10.023 1.00 62.52 H new ATOM 0 HG22 THR A 66 5.409 3.267 8.657 1.00 62.52 H new ATOM 0 HG23 THR A 66 3.895 4.127 9.025 1.00 62.52 H new ATOM 995 N ILE A 67 3.075 0.695 5.505 1.00 34.25 N ATOM 996 CA ILE A 67 2.265 -0.219 4.710 1.00 34.22 C ATOM 997 C ILE A 67 0.889 -0.420 5.336 1.00 70.03 C ATOM 998 O ILE A 67 -0.130 -0.373 4.646 1.00 4.53 O ATOM 999 CB ILE A 67 2.951 -1.590 4.556 1.00 34.24 C ATOM 1000 CG1 ILE A 67 4.338 -1.422 3.932 1.00 74.32 C ATOM 1001 CG2 ILE A 67 2.093 -2.520 3.712 1.00 13.42 C ATOM 1002 CD1 ILE A 67 4.314 -0.745 2.580 1.00 53.22 C ATOM 0 H ILE A 67 3.978 0.318 5.792 1.00 34.25 H new ATOM 0 HA ILE A 67 2.151 0.235 3.725 1.00 34.22 H new ATOM 0 HB ILE A 67 3.069 -2.035 5.544 1.00 34.24 H new ATOM 0 HG12 ILE A 67 4.964 -0.841 4.609 1.00 74.32 H new ATOM 0 HG13 ILE A 67 4.803 -2.403 3.830 1.00 74.32 H new ATOM 0 HG21 ILE A 67 2.591 -3.484 3.612 1.00 13.42 H new ATOM 0 HG22 ILE A 67 1.125 -2.660 4.194 1.00 13.42 H new ATOM 0 HG23 ILE A 67 1.947 -2.083 2.724 1.00 13.42 H new ATOM 0 HD11 ILE A 67 5.331 -0.659 2.198 1.00 53.22 H new ATOM 0 HD12 ILE A 67 3.715 -1.336 1.888 1.00 53.22 H new ATOM 0 HD13 ILE A 67 3.879 0.249 2.679 1.00 53.22 H new ATOM 1014 N GLN A 68 0.866 -0.642 6.646 1.00 62.11 N ATOM 1015 CA GLN A 68 -0.386 -0.849 7.364 1.00 23.13 C ATOM 1016 C GLN A 68 -1.350 0.307 7.120 1.00 53.00 C ATOM 1017 O GLN A 68 -2.519 0.094 6.797 1.00 51.43 O ATOM 1018 CB GLN A 68 -0.120 -0.998 8.863 1.00 60.54 C ATOM 1019 CG GLN A 68 -0.177 -2.438 9.350 1.00 51.51 C ATOM 1020 CD GLN A 68 -1.563 -2.844 9.810 1.00 15.33 C ATOM 1021 OE1 GLN A 68 -1.788 -3.094 10.995 1.00 31.43 O ATOM 1022 NE2 GLN A 68 -2.503 -2.908 8.874 1.00 71.41 N ATOM 0 H GLN A 68 1.700 -0.683 7.232 1.00 62.11 H new ATOM 0 HA GLN A 68 -0.843 -1.765 6.990 1.00 23.13 H new ATOM 0 HB2 GLN A 68 0.862 -0.584 9.092 1.00 60.54 H new ATOM 0 HB3 GLN A 68 -0.852 -0.407 9.414 1.00 60.54 H new ATOM 0 HG2 GLN A 68 0.144 -3.102 8.547 1.00 51.51 H new ATOM 0 HG3 GLN A 68 0.527 -2.568 10.172 1.00 51.51 H new ATOM 0 HE21 GLN A 68 -2.272 -2.692 7.904 1.00 71.41 H new ATOM 0 HE22 GLN A 68 -3.456 -3.173 9.125 1.00 71.41 H new ATOM 1031 N GLN A 69 -0.853 1.529 7.277 1.00 14.30 N ATOM 1032 CA GLN A 69 -1.672 2.718 7.073 1.00 35.24 C ATOM 1033 C GLN A 69 -2.352 2.685 5.709 1.00 0.12 C ATOM 1034 O GLN A 69 -3.516 3.060 5.575 1.00 35.31 O ATOM 1035 CB GLN A 69 -0.817 3.980 7.200 1.00 21.31 C ATOM 1036 CG GLN A 69 -0.256 4.198 8.597 1.00 54.35 C ATOM 1037 CD GLN A 69 0.388 5.560 8.762 1.00 61.24 C ATOM 1038 OE1 GLN A 69 -0.237 6.590 8.509 1.00 52.33 O ATOM 1039 NE2 GLN A 69 1.646 5.572 9.187 1.00 72.30 N ATOM 0 H GLN A 69 0.112 1.722 7.545 1.00 14.30 H new ATOM 0 HA GLN A 69 -2.444 2.732 7.842 1.00 35.24 H new ATOM 0 HB2 GLN A 69 0.009 3.922 6.491 1.00 21.31 H new ATOM 0 HB3 GLN A 69 -1.418 4.845 6.920 1.00 21.31 H new ATOM 0 HG2 GLN A 69 -1.058 4.089 9.327 1.00 54.35 H new ATOM 0 HG3 GLN A 69 0.480 3.424 8.814 1.00 54.35 H new ATOM 0 HE21 GLN A 69 2.126 4.694 9.385 1.00 72.30 H new ATOM 0 HE22 GLN A 69 2.132 6.459 9.316 1.00 72.30 H new ATOM 1048 N ALA A 70 -1.616 2.235 4.698 1.00 62.35 N ATOM 1049 CA ALA A 70 -2.148 2.151 3.344 1.00 60.33 C ATOM 1050 C ALA A 70 -3.219 1.069 3.240 1.00 3.42 C ATOM 1051 O ALA A 70 -4.181 1.206 2.485 1.00 45.10 O ATOM 1052 CB ALA A 70 -1.026 1.883 2.351 1.00 22.10 C ATOM 0 H ALA A 70 -0.649 1.923 4.791 1.00 62.35 H new ATOM 0 HA ALA A 70 -2.611 3.108 3.103 1.00 60.33 H new ATOM 0 HB1 ALA A 70 -1.438 1.823 1.344 1.00 22.10 H new ATOM 0 HB2 ALA A 70 -0.298 2.693 2.397 1.00 22.10 H new ATOM 0 HB3 ALA A 70 -0.537 0.941 2.600 1.00 22.10 H new ATOM 1058 N ALA A 71 -3.043 -0.004 4.003 1.00 61.14 N ATOM 1059 CA ALA A 71 -3.995 -1.108 3.998 1.00 43.44 C ATOM 1060 C ALA A 71 -5.317 -0.697 4.636 1.00 12.14 C ATOM 1061 O ALA A 71 -6.390 -1.018 4.126 1.00 70.31 O ATOM 1062 CB ALA A 71 -3.410 -2.313 4.719 1.00 72.15 C ATOM 0 H ALA A 71 -2.251 -0.133 4.632 1.00 61.14 H new ATOM 0 HA ALA A 71 -4.192 -1.380 2.961 1.00 43.44 H new ATOM 0 HB1 ALA A 71 -4.132 -3.130 4.707 1.00 72.15 H new ATOM 0 HB2 ALA A 71 -2.496 -2.629 4.216 1.00 72.15 H new ATOM 0 HB3 ALA A 71 -3.182 -2.045 5.751 1.00 72.15 H new ATOM 1068 N ASP A 72 -5.231 0.015 5.754 1.00 34.41 N ATOM 1069 CA ASP A 72 -6.422 0.471 6.464 1.00 41.53 C ATOM 1070 C ASP A 72 -7.334 1.269 5.536 1.00 23.44 C ATOM 1071 O ASP A 72 -8.558 1.214 5.655 1.00 24.32 O ATOM 1072 CB ASP A 72 -6.027 1.325 7.669 1.00 32.40 C ATOM 1073 CG ASP A 72 -7.030 1.225 8.803 1.00 42.44 C ATOM 1074 OD1 ASP A 72 -8.058 1.932 8.748 1.00 21.35 O ATOM 1075 OD2 ASP A 72 -6.787 0.439 9.742 1.00 41.23 O ATOM 0 H ASP A 72 -4.350 0.289 6.189 1.00 34.41 H new ATOM 0 HA ASP A 72 -6.966 -0.406 6.813 1.00 41.53 H new ATOM 0 HB2 ASP A 72 -5.046 1.012 8.027 1.00 32.40 H new ATOM 0 HB3 ASP A 72 -5.936 2.366 7.359 1.00 32.40 H new ATOM 1080 N VAL A 73 -6.729 2.010 4.614 1.00 50.11 N ATOM 1081 CA VAL A 73 -7.487 2.820 3.668 1.00 43.34 C ATOM 1082 C VAL A 73 -8.109 1.953 2.578 1.00 4.32 C ATOM 1083 O VAL A 73 -9.226 2.209 2.130 1.00 75.42 O ATOM 1084 CB VAL A 73 -6.599 3.892 3.010 1.00 1.52 C ATOM 1085 CG1 VAL A 73 -7.406 4.723 2.024 1.00 14.23 C ATOM 1086 CG2 VAL A 73 -5.961 4.778 4.070 1.00 12.51 C ATOM 0 H VAL A 73 -5.717 2.066 4.502 1.00 50.11 H new ATOM 0 HA VAL A 73 -8.278 3.311 4.234 1.00 43.34 H new ATOM 0 HB VAL A 73 -5.803 3.392 2.459 1.00 1.52 H new ATOM 0 HG11 VAL A 73 -6.762 5.475 1.569 1.00 14.23 H new ATOM 0 HG12 VAL A 73 -7.811 4.074 1.247 1.00 14.23 H new ATOM 0 HG13 VAL A 73 -8.225 5.216 2.548 1.00 14.23 H new ATOM 0 HG21 VAL A 73 -5.337 5.530 3.588 1.00 12.51 H new ATOM 0 HG22 VAL A 73 -6.741 5.271 4.650 1.00 12.51 H new ATOM 0 HG23 VAL A 73 -5.347 4.168 4.733 1.00 12.51 H new ATOM 1096 N ILE A 74 -7.377 0.927 2.156 1.00 50.31 N ATOM 1097 CA ILE A 74 -7.857 0.022 1.119 1.00 35.34 C ATOM 1098 C ILE A 74 -9.034 -0.810 1.619 1.00 21.44 C ATOM 1099 O ILE A 74 -10.115 -0.787 1.033 1.00 64.35 O ATOM 1100 CB ILE A 74 -6.742 -0.924 0.637 1.00 2.24 C ATOM 1101 CG1 ILE A 74 -5.569 -0.119 0.073 1.00 63.22 C ATOM 1102 CG2 ILE A 74 -7.280 -1.889 -0.408 1.00 75.13 C ATOM 1103 CD1 ILE A 74 -4.244 -0.846 0.150 1.00 14.54 C ATOM 0 H ILE A 74 -6.450 0.702 2.516 1.00 50.31 H new ATOM 0 HA ILE A 74 -8.182 0.642 0.283 1.00 35.34 H new ATOM 0 HB ILE A 74 -6.385 -1.504 1.488 1.00 2.24 H new ATOM 0 HG12 ILE A 74 -5.777 0.131 -0.967 1.00 63.22 H new ATOM 0 HG13 ILE A 74 -5.490 0.822 0.617 1.00 63.22 H new ATOM 0 HG21 ILE A 74 -6.479 -2.551 -0.738 1.00 75.13 H new ATOM 0 HG22 ILE A 74 -8.086 -2.482 0.025 1.00 75.13 H new ATOM 0 HG23 ILE A 74 -7.661 -1.327 -1.261 1.00 75.13 H new ATOM 0 HD11 ILE A 74 -3.459 -0.216 -0.267 1.00 14.54 H new ATOM 0 HD12 ILE A 74 -4.013 -1.072 1.191 1.00 14.54 H new ATOM 0 HD13 ILE A 74 -4.305 -1.774 -0.418 1.00 14.54 H new ATOM 1115 N GLU A 75 -8.814 -1.542 2.707 1.00 31.10 N ATOM 1116 CA GLU A 75 -9.857 -2.380 3.285 1.00 31.44 C ATOM 1117 C GLU A 75 -11.134 -1.577 3.520 1.00 63.43 C ATOM 1118 O GLU A 75 -12.238 -2.118 3.467 1.00 10.42 O ATOM 1119 CB GLU A 75 -9.378 -2.993 4.604 1.00 0.43 C ATOM 1120 CG GLU A 75 -8.856 -1.968 5.597 1.00 4.32 C ATOM 1121 CD GLU A 75 -9.418 -2.165 6.990 1.00 22.41 C ATOM 1122 OE1 GLU A 75 -9.773 -3.313 7.330 1.00 53.30 O ATOM 1123 OE2 GLU A 75 -9.503 -1.171 7.742 1.00 11.32 O ATOM 0 H GLU A 75 -7.924 -1.571 3.205 1.00 31.10 H new ATOM 0 HA GLU A 75 -10.076 -3.180 2.578 1.00 31.44 H new ATOM 0 HB2 GLU A 75 -10.202 -3.542 5.060 1.00 0.43 H new ATOM 0 HB3 GLU A 75 -8.591 -3.717 4.394 1.00 0.43 H new ATOM 0 HG2 GLU A 75 -7.768 -2.028 5.637 1.00 4.32 H new ATOM 0 HG3 GLU A 75 -9.108 -0.967 5.246 1.00 4.32 H new ATOM 1130 N GLY A 76 -10.973 -0.283 3.779 1.00 22.21 N ATOM 1131 CA GLY A 76 -12.119 0.573 4.018 1.00 11.31 C ATOM 1132 C GLY A 76 -12.966 0.769 2.777 1.00 40.42 C ATOM 1133 O GLY A 76 -14.183 0.933 2.866 1.00 43.45 O ATOM 0 H GLY A 76 -10.069 0.187 3.827 1.00 22.21 H new ATOM 0 HA2 GLY A 76 -12.733 0.141 4.808 1.00 11.31 H new ATOM 0 HA3 GLY A 76 -11.775 1.543 4.376 1.00 11.31 H new ATOM 1137 N LEU A 77 -12.321 0.753 1.614 1.00 33.13 N ATOM 1138 CA LEU A 77 -13.023 0.933 0.348 1.00 63.35 C ATOM 1139 C LEU A 77 -13.705 -0.362 -0.084 1.00 43.22 C ATOM 1140 O LEU A 77 -14.739 -0.338 -0.753 1.00 13.01 O ATOM 1141 CB LEU A 77 -12.048 1.395 -0.736 1.00 74.02 C ATOM 1142 CG LEU A 77 -11.457 2.793 -0.556 1.00 12.15 C ATOM 1143 CD1 LEU A 77 -10.274 2.999 -1.489 1.00 72.33 C ATOM 1144 CD2 LEU A 77 -12.520 3.856 -0.796 1.00 3.53 C ATOM 0 H LEU A 77 -11.314 0.617 1.522 1.00 33.13 H new ATOM 0 HA LEU A 77 -13.788 1.696 0.489 1.00 63.35 H new ATOM 0 HB2 LEU A 77 -11.227 0.679 -0.787 1.00 74.02 H new ATOM 0 HB3 LEU A 77 -12.561 1.360 -1.697 1.00 74.02 H new ATOM 0 HG LEU A 77 -11.103 2.886 0.471 1.00 12.15 H new ATOM 0 HD11 LEU A 77 -9.867 4.000 -1.346 1.00 72.33 H new ATOM 0 HD12 LEU A 77 -9.504 2.260 -1.269 1.00 72.33 H new ATOM 0 HD13 LEU A 77 -10.601 2.885 -2.522 1.00 72.33 H new ATOM 0 HD21 LEU A 77 -12.082 4.845 -0.664 1.00 3.53 H new ATOM 0 HD22 LEU A 77 -12.905 3.763 -1.811 1.00 3.53 H new ATOM 0 HD23 LEU A 77 -13.335 3.722 -0.085 1.00 3.53 H new ATOM 1156 N LEU A 78 -13.122 -1.490 0.304 1.00 25.23 N ATOM 1157 CA LEU A 78 -13.674 -2.796 -0.041 1.00 5.20 C ATOM 1158 C LEU A 78 -14.999 -3.032 0.675 1.00 73.22 C ATOM 1159 O LEU A 78 -15.863 -3.753 0.178 1.00 70.45 O ATOM 1160 CB LEU A 78 -12.681 -3.903 0.319 1.00 53.01 C ATOM 1161 CG LEU A 78 -11.585 -4.182 -0.710 1.00 54.20 C ATOM 1162 CD1 LEU A 78 -10.403 -3.249 -0.497 1.00 72.44 C ATOM 1163 CD2 LEU A 78 -11.141 -5.636 -0.635 1.00 30.31 C ATOM 0 H LEU A 78 -12.266 -1.527 0.858 1.00 25.23 H new ATOM 0 HA LEU A 78 -13.855 -2.815 -1.116 1.00 5.20 H new ATOM 0 HB2 LEU A 78 -12.206 -3.644 1.265 1.00 53.01 H new ATOM 0 HB3 LEU A 78 -13.239 -4.824 0.485 1.00 53.01 H new ATOM 0 HG LEU A 78 -11.991 -3.998 -1.705 1.00 54.20 H new ATOM 0 HD11 LEU A 78 -9.633 -3.462 -1.238 1.00 72.44 H new ATOM 0 HD12 LEU A 78 -10.732 -2.215 -0.602 1.00 72.44 H new ATOM 0 HD13 LEU A 78 -9.996 -3.400 0.503 1.00 72.44 H new ATOM 0 HD21 LEU A 78 -10.361 -5.817 -1.374 1.00 30.31 H new ATOM 0 HD22 LEU A 78 -10.753 -5.847 0.361 1.00 30.31 H new ATOM 0 HD23 LEU A 78 -11.991 -6.287 -0.838 1.00 30.31 H new