USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 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 40 LYS NZ :NH3+ -118:sc= 1.66 (180deg=-0.99!) USER MOD Set 1.2: A 67 THR OG1 : rot 84:sc= 0.0146 USER MOD Set 1.3: A 72 TYR OH : rot 7:sc= 0.477 USER MOD Set 2.1: A 34 THR OG1 : rot 68:sc= 0.734 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -1.27! USER MOD Set 3.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 ASN : amide:sc= -3.41! C(o=-3.4!,f=-8.3!) USER MOD Set 4.1: A 19 THR OG1 : rot -95:sc= -0.306 USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 1.07 USER MOD Set 5.1: A 12 ASN : amide:sc= -0.579 X(o=0.91,f=1.2) USER MOD Set 5.2: A 14 THR OG1 : rot 115:sc= 1.23 USER MOD Set 5.3: A 17 THR OG1 : rot -178:sc= 0.259 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= -0.319 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.644 K(o=-0.64,f=-1.9) USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.182) USER MOD Single : A 27 TYR OH : rot 30:sc=-0.00832 USER MOD Single : A 28 THR OG1 : rot -16:sc= 0.47 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.24! C(o=-6.2!,f=-20!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.178 USER MOD Single : A 55 ASN : amide:sc= -0.658 K(o=-0.66,f=-0.068) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.2! C(o=-8.2!,f=-15!) USER MOD Single : A 86 SER OG : rot -87:sc= 0.869 USER MOD Single : A 89 SER OG : rot -152:sc= 0.406 USER MOD Single : A 92 SER OG : rot 180:sc= -0.608 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 72:sc= -2.25! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.108 -6.959 -3.468 1.00 2.05 N ATOM 2 CA SER A 0 -22.083 -5.928 -3.159 1.00 1.55 C ATOM 3 C SER A 0 -20.922 -5.996 -4.147 1.00 1.39 C ATOM 4 O SER A 0 -20.001 -6.796 -3.980 1.00 1.50 O ATOM 5 CB SER A 0 -21.574 -6.154 -1.733 1.00 2.08 C ATOM 6 OG SER A 0 -20.368 -5.444 -1.505 1.00 2.74 O ATOM 0 H1 SER A 0 -23.886 -6.891 -2.782 1.00 2.05 H new ATOM 0 H2 SER A 0 -23.478 -6.804 -4.428 1.00 2.05 H new ATOM 0 H3 SER A 0 -22.678 -7.904 -3.411 1.00 2.05 H new ATOM 0 HA SER A 0 -22.534 -4.939 -3.244 1.00 1.55 H new ATOM 0 HB2 SER A 0 -22.331 -5.832 -1.018 1.00 2.08 H new ATOM 0 HB3 SER A 0 -21.410 -7.219 -1.566 1.00 2.08 H new ATOM 0 HG SER A 0 -20.063 -5.603 -0.587 1.00 2.74 H new ATOM 12 N PRO A 1 -20.952 -5.155 -5.196 1.00 1.23 N ATOM 13 CA PRO A 1 -19.902 -5.120 -6.218 1.00 1.19 C ATOM 14 C PRO A 1 -18.606 -4.528 -5.678 1.00 1.24 C ATOM 15 O PRO A 1 -17.522 -5.030 -5.969 1.00 2.06 O ATOM 16 CB PRO A 1 -20.489 -4.216 -7.315 1.00 1.18 C ATOM 17 CG PRO A 1 -21.935 -4.065 -6.971 1.00 1.26 C ATOM 18 CD PRO A 1 -22.005 -4.172 -5.478 1.00 1.24 C ATOM 0 HA PRO A 1 -19.643 -6.118 -6.572 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.987 -3.249 -7.338 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.364 -4.663 -8.301 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.322 -3.105 -7.314 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.535 -4.840 -7.448 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -21.813 -3.216 -4.990 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -22.983 -4.512 -5.138 1.00 1.24 H new ATOM 26 N ILE A 2 -18.749 -3.459 -4.891 1.00 0.68 N ATOM 27 CA ILE A 2 -17.622 -2.753 -4.275 1.00 0.61 C ATOM 28 C ILE A 2 -16.556 -2.343 -5.288 1.00 0.57 C ATOM 29 O ILE A 2 -16.355 -2.992 -6.312 1.00 0.63 O ATOM 30 CB ILE A 2 -16.967 -3.571 -3.139 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.997 -2.695 -2.346 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.243 -4.792 -3.684 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.349 -3.415 -1.183 1.00 0.56 C ATOM 0 H ILE A 2 -19.657 -3.056 -4.661 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.053 -1.847 -3.849 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.760 -3.916 -2.476 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.219 -2.329 -3.016 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.531 -1.822 -1.971 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.793 -5.346 -2.860 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.953 -5.433 -4.207 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.463 -4.474 -4.376 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.673 -2.735 -0.665 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.119 -3.757 -0.492 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.787 -4.272 -1.553 1.00 0.56 H new ATOM 45 N ASP A 3 -15.876 -1.246 -4.982 1.00 0.55 N ATOM 46 CA ASP A 3 -14.826 -0.725 -5.842 1.00 0.54 C ATOM 47 C ASP A 3 -13.614 -0.323 -5.004 1.00 0.47 C ATOM 48 O ASP A 3 -13.667 0.657 -4.260 1.00 0.49 O ATOM 49 CB ASP A 3 -15.342 0.481 -6.631 1.00 0.61 C ATOM 50 CG ASP A 3 -14.663 0.629 -7.978 1.00 1.15 C ATOM 51 OD1 ASP A 3 -13.545 1.185 -8.022 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.249 0.190 -8.991 1.00 1.64 O ATOM 0 H ASP A 3 -16.036 -0.697 -4.137 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.527 -1.503 -6.544 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -16.417 0.381 -6.779 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.184 1.388 -6.047 1.00 0.61 H new ATOM 57 N PRO A 4 -12.503 -1.076 -5.102 1.00 0.44 N ATOM 58 CA PRO A 4 -11.288 -0.782 -4.336 1.00 0.41 C ATOM 59 C PRO A 4 -10.650 0.541 -4.749 1.00 0.38 C ATOM 60 O PRO A 4 -10.814 0.995 -5.882 1.00 0.43 O ATOM 61 CB PRO A 4 -10.366 -1.962 -4.656 1.00 0.45 C ATOM 62 CG PRO A 4 -10.855 -2.481 -5.963 1.00 0.50 C ATOM 63 CD PRO A 4 -12.342 -2.265 -5.957 1.00 0.50 C ATOM 0 HA PRO A 4 -11.492 -0.671 -3.271 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.325 -1.645 -4.720 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.419 -2.727 -3.881 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.386 -1.953 -6.794 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.614 -3.537 -6.080 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.729 -2.094 -6.962 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.873 -3.127 -5.553 1.00 0.50 H new ATOM 71 N PRO A 5 -9.915 1.184 -3.825 1.00 0.37 N ATOM 72 CA PRO A 5 -9.254 2.471 -4.085 1.00 0.39 C ATOM 73 C PRO A 5 -8.380 2.450 -5.337 1.00 0.38 C ATOM 74 O PRO A 5 -8.278 1.431 -6.021 1.00 0.47 O ATOM 75 CB PRO A 5 -8.406 2.685 -2.829 1.00 0.46 C ATOM 76 CG PRO A 5 -9.140 1.943 -1.767 1.00 0.71 C ATOM 77 CD PRO A 5 -9.674 0.715 -2.446 1.00 0.43 C ATOM 0 HA PRO A 5 -9.973 3.268 -4.274 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.395 2.299 -2.960 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.314 3.743 -2.585 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.479 1.681 -0.941 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.947 2.546 -1.351 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.959 -0.107 -2.417 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.589 0.357 -1.974 1.00 0.43 H new ATOM 85 N GLY A 6 -7.757 3.588 -5.630 1.00 0.37 N ATOM 86 CA GLY A 6 -6.902 3.696 -6.802 1.00 0.39 C ATOM 87 C GLY A 6 -5.543 3.052 -6.608 1.00 0.42 C ATOM 88 O GLY A 6 -5.262 2.477 -5.557 1.00 0.66 O ATOM 0 H GLY A 6 -7.829 4.441 -5.075 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.400 3.230 -7.652 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.767 4.749 -7.050 1.00 0.39 H new ATOM 92 N LYS A 7 -4.697 3.148 -7.632 1.00 0.41 N ATOM 93 CA LYS A 7 -3.359 2.572 -7.582 1.00 0.44 C ATOM 94 C LYS A 7 -2.466 3.328 -6.598 1.00 0.37 C ATOM 95 O LYS A 7 -2.461 4.558 -6.579 1.00 0.42 O ATOM 96 CB LYS A 7 -2.730 2.599 -8.974 1.00 0.54 C ATOM 97 CG LYS A 7 -1.345 1.980 -9.027 1.00 0.64 C ATOM 98 CD LYS A 7 -0.355 2.885 -9.745 1.00 1.01 C ATOM 99 CE LYS A 7 1.028 2.254 -9.813 1.00 0.95 C ATOM 100 NZ LYS A 7 2.106 3.280 -9.898 1.00 1.52 N ATOM 0 H LYS A 7 -4.918 3.621 -8.508 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.447 1.541 -7.239 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.382 2.070 -9.669 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.671 3.632 -9.317 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.993 1.786 -8.014 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.395 1.018 -9.536 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.713 3.090 -10.754 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.294 3.843 -9.228 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.187 1.633 -8.931 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.084 1.596 -10.680 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 3.032 2.808 -9.942 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.970 3.857 -10.753 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.070 3.892 -9.058 1.00 1.52 H new ATOM 114 N PRO A 8 -1.687 2.607 -5.768 1.00 0.34 N ATOM 115 CA PRO A 8 -0.789 3.229 -4.792 1.00 0.32 C ATOM 116 C PRO A 8 0.466 3.802 -5.446 1.00 0.33 C ATOM 117 O PRO A 8 1.125 3.130 -6.239 1.00 0.44 O ATOM 118 CB PRO A 8 -0.418 2.083 -3.838 1.00 0.39 C ATOM 119 CG PRO A 8 -1.211 0.893 -4.282 1.00 0.44 C ATOM 120 CD PRO A 8 -1.607 1.142 -5.707 1.00 0.41 C ATOM 0 HA PRO A 8 -1.266 4.071 -4.290 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.651 1.875 -3.878 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.654 2.344 -2.806 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.619 -0.019 -4.199 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.092 0.759 -3.654 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.871 0.747 -6.407 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.561 0.674 -5.950 1.00 0.41 H new ATOM 128 N VAL A 9 0.787 5.047 -5.107 1.00 0.34 N ATOM 129 CA VAL A 9 1.962 5.714 -5.659 1.00 0.38 C ATOM 130 C VAL A 9 2.777 6.386 -4.550 1.00 0.34 C ATOM 131 O VAL A 9 2.429 7.470 -4.079 1.00 0.35 O ATOM 132 CB VAL A 9 1.552 6.758 -6.727 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.441 7.659 -6.208 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.749 7.582 -7.187 1.00 0.53 C ATOM 0 H VAL A 9 0.249 5.615 -4.452 1.00 0.34 H new ATOM 0 HA VAL A 9 2.583 4.956 -6.136 1.00 0.38 H new ATOM 0 HB VAL A 9 1.172 6.214 -7.592 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.171 8.383 -6.977 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.431 7.054 -5.957 1.00 1.09 H new ATOM 0 HG13 VAL A 9 0.786 8.186 -5.318 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.427 8.305 -7.936 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.177 8.109 -6.334 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.501 6.922 -7.620 1.00 0.53 H new ATOM 144 N PRO A 10 3.871 5.742 -4.101 1.00 0.34 N ATOM 145 CA PRO A 10 4.706 6.286 -3.038 1.00 0.32 C ATOM 146 C PRO A 10 5.168 7.715 -3.293 1.00 0.37 C ATOM 147 O PRO A 10 5.830 7.996 -4.292 1.00 0.64 O ATOM 148 CB PRO A 10 5.921 5.369 -2.972 1.00 0.38 C ATOM 149 CG PRO A 10 5.579 4.140 -3.746 1.00 0.39 C ATOM 150 CD PRO A 10 4.354 4.437 -4.580 1.00 0.42 C ATOM 0 HA PRO A 10 4.133 6.326 -2.111 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.798 5.859 -3.394 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.161 5.120 -1.938 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.413 3.848 -4.385 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.387 3.306 -3.071 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.599 4.473 -5.641 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.595 3.665 -4.454 1.00 0.42 H new ATOM 158 N LEU A 11 4.843 8.610 -2.364 1.00 0.34 N ATOM 159 CA LEU A 11 5.253 10.003 -2.467 1.00 0.43 C ATOM 160 C LEU A 11 6.676 10.129 -1.942 1.00 0.43 C ATOM 161 O LEU A 11 7.463 10.955 -2.409 1.00 0.57 O ATOM 162 CB LEU A 11 4.316 10.908 -1.664 1.00 0.56 C ATOM 163 CG LEU A 11 2.824 10.616 -1.839 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.129 10.573 -0.486 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.180 11.657 -2.742 1.00 1.64 C ATOM 0 H LEU A 11 4.296 8.393 -1.531 1.00 0.34 H new ATOM 0 HA LEU A 11 5.208 10.317 -3.510 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.567 10.818 -0.607 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.504 11.943 -1.949 1.00 0.56 H new ATOM 0 HG LEU A 11 2.715 9.640 -2.311 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.069 10.364 -0.628 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.574 9.789 0.127 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.246 11.535 0.014 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.119 11.434 -2.855 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.297 12.646 -2.299 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.661 11.638 -3.720 1.00 1.64 H new ATOM 177 N ASN A 12 6.994 9.277 -0.969 1.00 0.34 N ATOM 178 CA ASN A 12 8.315 9.242 -0.359 1.00 0.36 C ATOM 179 C ASN A 12 8.719 7.790 -0.158 1.00 0.37 C ATOM 180 O ASN A 12 7.897 6.968 0.237 1.00 0.58 O ATOM 181 CB ASN A 12 8.313 9.984 0.979 1.00 0.42 C ATOM 182 CG ASN A 12 9.710 10.206 1.524 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.241 11.314 1.468 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.313 9.149 2.056 1.00 0.71 N ATOM 0 H ASN A 12 6.342 8.594 -0.584 1.00 0.34 H new ATOM 0 HA ASN A 12 9.031 9.739 -1.013 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.818 10.947 0.855 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.730 9.416 1.704 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.254 9.238 2.439 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.835 8.248 2.082 1.00 0.71 H new ATOM 191 N ILE A 13 9.969 7.462 -0.441 1.00 0.38 N ATOM 192 CA ILE A 13 10.419 6.088 -0.290 1.00 0.43 C ATOM 193 C ILE A 13 11.817 6.000 0.306 1.00 0.53 C ATOM 194 O ILE A 13 12.817 6.072 -0.408 1.00 0.75 O ATOM 195 CB ILE A 13 10.384 5.347 -1.638 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.046 6.190 -2.732 1.00 0.49 C ATOM 197 CG2 ILE A 13 8.943 5.015 -2.006 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.192 7.345 -3.214 1.00 0.96 C ATOM 0 H ILE A 13 10.679 8.115 -0.771 1.00 0.38 H new ATOM 0 HA ILE A 13 9.728 5.609 0.404 1.00 0.43 H new ATOM 0 HB ILE A 13 10.945 4.417 -1.547 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.991 6.581 -2.355 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.283 5.547 -3.580 1.00 0.49 H new ATOM 0 HG21 ILE A 13 8.923 4.490 -2.961 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.507 4.380 -1.234 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.366 5.937 -2.086 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.727 7.895 -3.988 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.257 6.961 -3.623 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.976 8.011 -2.379 1.00 0.96 H new ATOM 210 N THR A 14 11.873 5.831 1.622 1.00 0.59 N ATOM 211 CA THR A 14 13.140 5.714 2.328 1.00 0.71 C ATOM 212 C THR A 14 13.568 4.253 2.399 1.00 0.79 C ATOM 213 O THR A 14 12.761 3.349 2.181 1.00 1.46 O ATOM 214 CB THR A 14 13.025 6.298 3.736 1.00 0.75 C ATOM 215 OG1 THR A 14 11.796 6.982 3.898 1.00 0.69 O ATOM 216 CG2 THR A 14 14.139 7.265 4.072 1.00 0.94 C ATOM 0 H THR A 14 11.051 5.772 2.223 1.00 0.59 H new ATOM 0 HA THR A 14 13.895 6.277 1.780 1.00 0.71 H new ATOM 0 HB THR A 14 13.090 5.444 4.410 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.252 6.523 4.572 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.999 7.644 5.085 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.098 6.752 4.006 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.123 8.097 3.368 1.00 0.94 H new ATOM 224 N ARG A 15 14.840 4.026 2.696 1.00 0.66 N ATOM 225 CA ARG A 15 15.365 2.662 2.779 1.00 0.67 C ATOM 226 C ARG A 15 14.668 1.847 3.868 1.00 0.71 C ATOM 227 O ARG A 15 14.677 0.617 3.827 1.00 1.19 O ATOM 228 CB ARG A 15 16.887 2.633 2.992 1.00 0.80 C ATOM 229 CG ARG A 15 17.497 3.911 3.553 1.00 0.96 C ATOM 230 CD ARG A 15 16.871 4.305 4.881 1.00 1.13 C ATOM 231 NE ARG A 15 17.500 5.497 5.444 1.00 1.43 N ATOM 232 CZ ARG A 15 16.970 6.218 6.425 1.00 1.67 C ATOM 233 NH1 ARG A 15 15.804 5.869 6.953 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.606 7.289 6.881 1.00 1.90 N ATOM 0 H ARG A 15 15.525 4.758 2.883 1.00 0.66 H new ATOM 0 HA ARG A 15 15.152 2.201 1.815 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.126 1.811 3.667 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.365 2.412 2.038 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.570 3.773 3.685 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.365 4.721 2.836 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.806 4.488 4.741 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.962 3.478 5.586 1.00 1.13 H new ATOM 0 HE ARG A 15 18.398 5.793 5.062 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.313 5.045 6.605 1.00 2.42 H new ATOM 0 HH12 ARG A 15 15.399 6.424 7.707 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.503 7.559 6.478 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.198 7.842 7.635 1.00 1.90 H new ATOM 248 N HIS A 16 14.058 2.526 4.835 1.00 0.50 N ATOM 249 CA HIS A 16 13.355 1.835 5.916 1.00 0.54 C ATOM 250 C HIS A 16 11.916 2.327 6.051 1.00 0.57 C ATOM 251 O HIS A 16 11.261 2.085 7.066 1.00 0.97 O ATOM 252 CB HIS A 16 14.085 2.018 7.244 1.00 0.67 C ATOM 253 CG HIS A 16 15.267 1.115 7.409 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.207 1.256 8.404 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.654 0.037 6.678 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.116 0.283 8.253 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.826 -0.484 7.220 1.00 0.86 N ATOM 0 H HIS A 16 14.035 3.544 4.894 1.00 0.50 H new ATOM 0 HA HIS A 16 13.336 0.775 5.662 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.415 3.053 7.327 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.386 1.840 8.061 1.00 0.67 H new ATOM 0 HD1 HIS A 16 16.211 1.974 9.128 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.136 -0.353 5.815 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.974 0.145 8.894 1.00 1.02 H new ATOM 265 N THR A 17 11.426 3.012 5.024 1.00 0.43 N ATOM 266 CA THR A 17 10.066 3.530 5.025 1.00 0.42 C ATOM 267 C THR A 17 9.611 3.785 3.599 1.00 0.38 C ATOM 268 O THR A 17 10.434 3.908 2.696 1.00 0.56 O ATOM 269 CB THR A 17 9.977 4.811 5.852 1.00 0.56 C ATOM 270 OG1 THR A 17 11.207 5.514 5.825 1.00 0.65 O ATOM 271 CG2 THR A 17 9.624 4.552 7.300 1.00 0.68 C ATOM 0 H THR A 17 11.954 3.221 4.177 1.00 0.43 H new ATOM 0 HA THR A 17 9.409 2.788 5.479 1.00 0.42 H new ATOM 0 HB THR A 17 9.181 5.401 5.397 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.138 6.315 6.385 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.575 5.499 7.838 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.656 4.053 7.355 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.386 3.917 7.752 1.00 0.68 H new ATOM 279 N VAL A 18 8.303 3.846 3.393 1.00 0.27 N ATOM 280 CA VAL A 18 7.766 4.068 2.060 1.00 0.33 C ATOM 281 C VAL A 18 6.363 4.671 2.113 1.00 0.32 C ATOM 282 O VAL A 18 5.368 3.947 2.160 1.00 0.51 O ATOM 283 CB VAL A 18 7.739 2.740 1.269 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.064 2.906 -0.085 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.156 2.206 1.101 1.00 0.46 C ATOM 0 H VAL A 18 7.600 3.746 4.125 1.00 0.27 H new ATOM 0 HA VAL A 18 8.419 4.779 1.553 1.00 0.33 H new ATOM 0 HB VAL A 18 7.151 2.020 1.838 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.064 1.951 -0.611 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.037 3.240 0.059 1.00 0.80 H new ATOM 0 HG13 VAL A 18 7.607 3.645 -0.674 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.128 1.270 0.543 1.00 0.46 H new ATOM 0 HG22 VAL A 18 9.758 2.935 0.558 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.597 2.030 2.082 1.00 0.46 H new ATOM 295 N THR A 19 6.291 6.001 2.096 1.00 0.27 N ATOM 296 CA THR A 19 5.007 6.694 2.130 1.00 0.24 C ATOM 297 C THR A 19 4.366 6.687 0.753 1.00 0.22 C ATOM 298 O THR A 19 5.067 6.757 -0.257 1.00 0.34 O ATOM 299 CB THR A 19 5.168 8.134 2.611 1.00 0.28 C ATOM 300 OG1 THR A 19 5.548 8.173 3.975 1.00 0.35 O ATOM 301 CG2 THR A 19 3.894 8.941 2.458 1.00 0.32 C ATOM 0 H THR A 19 7.103 6.617 2.059 1.00 0.27 H new ATOM 0 HA THR A 19 4.364 6.164 2.832 1.00 0.24 H new ATOM 0 HB THR A 19 5.944 8.573 1.984 1.00 0.28 H new ATOM 0 HG1 THR A 19 4.751 8.284 4.534 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.062 9.957 2.814 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.604 8.968 1.408 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.098 8.479 3.042 1.00 0.32 H new ATOM 309 N LEU A 20 3.034 6.601 0.724 1.00 0.28 N ATOM 310 CA LEU A 20 2.303 6.565 -0.536 1.00 0.26 C ATOM 311 C LEU A 20 0.918 7.197 -0.437 1.00 0.28 C ATOM 312 O LEU A 20 0.356 7.362 0.649 1.00 0.40 O ATOM 313 CB LEU A 20 2.163 5.121 -1.039 1.00 0.33 C ATOM 314 CG LEU A 20 2.705 4.028 -0.108 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.659 2.956 0.114 1.00 0.52 C ATOM 316 CD2 LEU A 20 3.982 3.452 -0.682 1.00 0.50 C ATOM 0 H LEU A 20 2.446 6.555 1.556 1.00 0.28 H new ATOM 0 HA LEU A 20 2.887 7.154 -1.243 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.107 4.922 -1.224 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.675 5.040 -1.998 1.00 0.33 H new ATOM 0 HG LEU A 20 2.937 4.464 0.864 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.059 2.189 0.776 1.00 0.52 H new ATOM 0 HD12 LEU A 20 0.773 3.400 0.567 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.390 2.506 -0.842 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.362 2.677 -0.017 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.778 3.021 -1.662 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.726 4.243 -0.780 1.00 0.50 H new ATOM 328 N LYS A 21 0.381 7.528 -1.610 1.00 0.25 N ATOM 329 CA LYS A 21 -0.940 8.128 -1.737 1.00 0.31 C ATOM 330 C LYS A 21 -1.643 7.544 -2.962 1.00 0.31 C ATOM 331 O LYS A 21 -1.010 7.298 -3.989 1.00 0.51 O ATOM 332 CB LYS A 21 -0.823 9.655 -1.861 1.00 0.40 C ATOM 333 CG LYS A 21 -2.071 10.336 -2.409 1.00 0.81 C ATOM 334 CD LYS A 21 -3.240 10.221 -1.446 1.00 0.95 C ATOM 335 CE LYS A 21 -3.184 11.293 -0.371 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.812 12.566 -0.824 1.00 1.84 N ATOM 0 H LYS A 21 0.855 7.386 -2.502 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.526 7.904 -0.846 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.597 10.071 -0.879 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.021 9.892 -2.509 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.858 11.388 -2.600 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.341 9.887 -3.365 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -4.176 10.306 -1.997 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.233 9.236 -0.980 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.692 10.936 0.525 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.146 11.478 -0.096 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.754 13.272 -0.063 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.311 12.920 -1.664 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.810 12.395 -1.062 1.00 1.84 H new ATOM 350 N TRP A 22 -2.946 7.317 -2.853 1.00 0.25 N ATOM 351 CA TRP A 22 -3.711 6.757 -3.959 1.00 0.24 C ATOM 352 C TRP A 22 -5.056 7.461 -4.110 1.00 0.24 C ATOM 353 O TRP A 22 -5.333 8.442 -3.421 1.00 0.40 O ATOM 354 CB TRP A 22 -3.927 5.261 -3.741 1.00 0.27 C ATOM 355 CG TRP A 22 -4.485 4.935 -2.394 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.771 4.588 -2.107 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.777 4.928 -1.147 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.908 4.363 -0.761 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.701 4.567 -0.152 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.454 5.190 -0.775 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.349 4.462 1.187 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.105 5.084 0.561 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.053 4.722 1.528 1.00 0.32 C ATOM 0 H TRP A 22 -3.493 7.511 -2.014 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.142 6.910 -4.876 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.603 4.883 -4.508 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.977 4.741 -3.869 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.566 4.503 -2.833 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.770 4.088 -0.291 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.719 5.470 -1.515 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.077 4.184 1.935 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.087 5.283 0.862 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.752 4.647 2.563 1.00 0.32 H new ATOM 374 N ALA A 23 -5.888 6.954 -5.014 1.00 0.31 N ATOM 375 CA ALA A 23 -7.202 7.535 -5.254 1.00 0.33 C ATOM 376 C ALA A 23 -8.281 6.811 -4.456 1.00 0.36 C ATOM 377 O ALA A 23 -8.070 5.699 -3.972 1.00 0.83 O ATOM 378 CB ALA A 23 -7.525 7.500 -6.740 1.00 0.36 C ATOM 0 H ALA A 23 -5.674 6.141 -5.592 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.181 8.572 -4.920 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.509 7.937 -6.909 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.776 8.071 -7.289 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.521 6.467 -7.089 1.00 0.36 H new ATOM 384 N LYS A 24 -9.440 7.450 -4.325 1.00 0.59 N ATOM 385 CA LYS A 24 -10.561 6.875 -3.590 1.00 0.61 C ATOM 386 C LYS A 24 -11.698 6.524 -4.555 1.00 0.59 C ATOM 387 O LYS A 24 -11.918 7.228 -5.540 1.00 0.69 O ATOM 388 CB LYS A 24 -11.027 7.869 -2.507 1.00 0.74 C ATOM 389 CG LYS A 24 -12.502 7.781 -2.133 1.00 1.21 C ATOM 390 CD LYS A 24 -13.341 8.715 -2.991 1.00 1.22 C ATOM 391 CE LYS A 24 -14.659 9.064 -2.319 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.719 9.390 -3.312 1.00 2.11 N ATOM 0 H LYS A 24 -9.627 8.371 -4.721 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.247 5.954 -3.099 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.431 7.708 -1.609 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.816 8.881 -2.852 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.851 6.756 -2.257 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.629 8.036 -1.081 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.781 9.629 -3.189 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.537 8.246 -3.955 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.985 8.227 -1.702 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.513 9.914 -1.652 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.195 10.272 -3.035 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.290 9.509 -4.252 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.414 8.617 -3.344 1.00 2.11 H new ATOM 406 N PRO A 25 -12.440 5.430 -4.293 1.00 0.56 N ATOM 407 CA PRO A 25 -13.546 5.013 -5.151 1.00 0.63 C ATOM 408 C PRO A 25 -14.800 5.850 -4.921 1.00 0.75 C ATOM 409 O PRO A 25 -14.929 6.530 -3.903 1.00 0.89 O ATOM 410 CB PRO A 25 -13.798 3.549 -4.755 1.00 0.63 C ATOM 411 CG PRO A 25 -12.778 3.212 -3.710 1.00 0.71 C ATOM 412 CD PRO A 25 -12.278 4.515 -3.154 1.00 0.58 C ATOM 0 HA PRO A 25 -13.303 5.138 -6.206 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.809 3.420 -4.367 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.701 2.891 -5.619 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.219 2.600 -2.923 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.959 2.636 -4.141 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.859 4.837 -2.289 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.239 4.447 -2.833 1.00 0.58 H new ATOM 420 N GLU A 26 -15.723 5.795 -5.876 1.00 0.85 N ATOM 421 CA GLU A 26 -16.971 6.546 -5.783 1.00 1.05 C ATOM 422 C GLU A 26 -18.161 5.616 -5.630 1.00 0.95 C ATOM 423 O GLU A 26 -19.215 6.017 -5.136 1.00 1.12 O ATOM 424 CB GLU A 26 -17.158 7.423 -7.020 1.00 1.29 C ATOM 425 CG GLU A 26 -17.264 6.635 -8.316 1.00 1.83 C ATOM 426 CD GLU A 26 -15.927 6.476 -9.014 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.133 5.611 -8.587 1.00 2.53 O ATOM 428 OE2 GLU A 26 -15.673 7.217 -9.987 1.00 2.77 O ATOM 0 H GLU A 26 -15.630 5.237 -6.725 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.912 7.180 -4.898 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -18.059 8.024 -6.896 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.320 8.116 -7.094 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -17.679 5.649 -8.104 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -17.962 7.137 -8.986 1.00 1.83 H new ATOM 435 N TYR A 27 -17.994 4.373 -6.057 1.00 0.85 N ATOM 436 CA TYR A 27 -19.067 3.402 -5.962 1.00 0.84 C ATOM 437 C TYR A 27 -19.089 2.739 -4.588 1.00 0.86 C ATOM 438 O TYR A 27 -19.970 3.015 -3.775 1.00 1.37 O ATOM 439 CB TYR A 27 -18.931 2.348 -7.062 1.00 0.86 C ATOM 440 CG TYR A 27 -20.158 1.483 -7.226 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.307 1.978 -7.829 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.168 0.169 -6.776 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.432 1.189 -7.980 1.00 1.28 C ATOM 444 CE2 TYR A 27 -21.287 -0.626 -6.924 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.416 -0.113 -7.525 1.00 1.19 C ATOM 446 OH TYR A 27 -23.533 -0.904 -7.671 1.00 1.35 O ATOM 0 H TYR A 27 -17.131 4.017 -6.469 1.00 0.85 H new ATOM 0 HA TYR A 27 -20.012 3.929 -6.096 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.720 2.847 -8.008 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.075 1.711 -6.839 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.322 2.997 -8.186 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -19.286 -0.237 -6.303 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.318 1.589 -8.451 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -21.278 -1.646 -6.570 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.028 -0.626 -8.470 1.00 1.35 H new ATOM 456 N THR A 28 -18.116 1.863 -4.330 1.00 0.65 N ATOM 457 CA THR A 28 -18.024 1.161 -3.048 1.00 0.61 C ATOM 458 C THR A 28 -19.397 0.705 -2.560 1.00 0.66 C ATOM 459 O THR A 28 -19.736 0.883 -1.392 1.00 0.81 O ATOM 460 CB THR A 28 -17.379 2.060 -1.993 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.242 3.127 -1.646 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.065 2.661 -2.441 1.00 0.79 C ATOM 0 H THR A 28 -17.379 1.622 -4.993 1.00 0.65 H new ATOM 0 HA THR A 28 -17.404 0.278 -3.202 1.00 0.61 H new ATOM 0 HB THR A 28 -17.191 1.410 -1.138 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.946 3.211 -2.322 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.662 3.288 -1.646 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.358 1.863 -2.668 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.227 3.266 -3.333 1.00 0.79 H new ATOM 470 N GLY A 29 -20.183 0.122 -3.460 1.00 0.75 N ATOM 471 CA GLY A 29 -21.509 -0.345 -3.095 1.00 0.80 C ATOM 472 C GLY A 29 -22.301 0.701 -2.330 1.00 0.85 C ATOM 473 O GLY A 29 -22.969 1.548 -2.923 1.00 1.01 O ATOM 0 H GLY A 29 -19.926 -0.035 -4.434 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.055 -0.622 -3.997 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.420 -1.245 -2.487 1.00 0.80 H new ATOM 477 N GLY A 30 -22.212 0.643 -1.006 1.00 0.83 N ATOM 478 CA GLY A 30 -22.905 1.590 -0.156 1.00 0.89 C ATOM 479 C GLY A 30 -22.174 1.745 1.155 1.00 0.85 C ATOM 480 O GLY A 30 -22.779 1.753 2.227 1.00 0.98 O ATOM 0 H GLY A 30 -21.664 -0.054 -0.502 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.976 2.555 -0.657 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.924 1.249 0.026 1.00 0.89 H new ATOM 484 N PHE A 31 -20.854 1.838 1.057 1.00 0.73 N ATOM 485 CA PHE A 31 -19.992 1.960 2.222 1.00 0.69 C ATOM 486 C PHE A 31 -19.116 3.209 2.138 1.00 0.67 C ATOM 487 O PHE A 31 -19.240 4.007 1.210 1.00 0.74 O ATOM 488 CB PHE A 31 -19.110 0.707 2.349 1.00 0.63 C ATOM 489 CG PHE A 31 -19.580 -0.477 1.537 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.716 -1.184 1.904 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.881 -0.878 0.410 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.143 -2.268 1.159 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.304 -1.960 -0.336 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.436 -2.656 0.038 1.00 0.83 C ATOM 0 H PHE A 31 -20.353 1.831 0.169 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.625 2.053 3.105 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.095 0.961 2.043 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.064 0.416 3.398 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.272 -0.885 2.780 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -17.995 -0.338 0.112 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.029 -2.811 1.454 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -18.749 -2.262 -1.212 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.768 -3.502 -0.545 1.00 0.83 H new ATOM 504 N LYS A 32 -18.236 3.374 3.123 1.00 0.68 N ATOM 505 CA LYS A 32 -17.343 4.532 3.170 1.00 0.72 C ATOM 506 C LYS A 32 -15.868 4.117 3.235 1.00 0.66 C ATOM 507 O LYS A 32 -14.984 4.914 2.924 1.00 0.74 O ATOM 508 CB LYS A 32 -17.688 5.401 4.385 1.00 0.86 C ATOM 509 CG LYS A 32 -16.699 6.527 4.656 1.00 1.38 C ATOM 510 CD LYS A 32 -16.864 7.086 6.060 1.00 1.38 C ATOM 511 CE LYS A 32 -15.520 7.440 6.680 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.666 8.375 7.828 1.00 2.26 N ATOM 0 H LYS A 32 -18.121 2.722 3.899 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.488 5.099 2.251 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.679 5.832 4.239 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.745 4.764 5.267 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.681 6.158 4.527 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.844 7.324 3.926 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.496 7.973 6.028 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.374 6.354 6.687 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.024 6.529 7.015 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.879 7.892 5.923 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.728 8.591 8.222 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.116 9.255 7.504 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.256 7.934 8.562 1.00 2.26 H new ATOM 526 N ILE A 33 -15.607 2.880 3.652 1.00 0.67 N ATOM 527 CA ILE A 33 -14.239 2.387 3.773 1.00 0.66 C ATOM 528 C ILE A 33 -13.531 3.112 4.910 1.00 0.80 C ATOM 529 O ILE A 33 -13.277 4.314 4.826 1.00 1.71 O ATOM 530 CB ILE A 33 -13.429 2.569 2.473 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.125 1.851 1.306 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.008 2.053 2.668 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.228 1.594 0.109 1.00 0.91 C ATOM 0 H ILE A 33 -16.324 2.203 3.911 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.299 1.318 3.979 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.376 3.630 2.230 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.518 0.899 1.663 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.979 2.448 0.985 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.443 2.185 1.745 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.526 2.610 3.472 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.038 0.995 2.927 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.796 1.084 -0.669 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.855 2.543 -0.277 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.387 0.970 0.412 1.00 0.91 H new ATOM 545 N THR A 34 -13.226 2.384 5.976 1.00 0.72 N ATOM 546 CA THR A 34 -12.563 2.976 7.131 1.00 0.73 C ATOM 547 C THR A 34 -11.156 2.417 7.329 1.00 0.59 C ATOM 548 O THR A 34 -10.690 2.293 8.462 1.00 0.76 O ATOM 549 CB THR A 34 -13.395 2.736 8.396 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.061 1.492 8.985 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.890 2.739 8.145 1.00 1.15 C ATOM 0 H THR A 34 -13.426 1.388 6.065 1.00 0.72 H new ATOM 0 HA THR A 34 -12.475 4.046 6.944 1.00 0.73 H new ATOM 0 HB THR A 34 -13.155 3.567 9.060 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.145 1.530 9.333 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.417 2.563 9.083 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.188 3.704 7.736 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.141 1.951 7.435 1.00 1.15 H new ATOM 559 N SER A 35 -10.474 2.082 6.235 1.00 0.49 N ATOM 560 CA SER A 35 -9.119 1.544 6.335 1.00 0.47 C ATOM 561 C SER A 35 -8.556 1.138 4.976 1.00 0.45 C ATOM 562 O SER A 35 -9.280 0.646 4.110 1.00 0.72 O ATOM 563 CB SER A 35 -9.093 0.335 7.274 1.00 0.64 C ATOM 564 OG SER A 35 -10.403 -0.121 7.572 1.00 1.58 O ATOM 0 H SER A 35 -10.830 2.172 5.283 1.00 0.49 H new ATOM 0 HA SER A 35 -8.492 2.341 6.735 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.522 -0.472 6.814 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.581 0.602 8.198 1.00 0.64 H new ATOM 0 HG SER A 35 -10.352 -0.894 8.172 1.00 1.58 H new ATOM 570 N TYR A 36 -7.250 1.337 4.809 1.00 0.27 N ATOM 571 CA TYR A 36 -6.564 0.985 3.573 1.00 0.28 C ATOM 572 C TYR A 36 -5.353 0.106 3.872 1.00 0.33 C ATOM 573 O TYR A 36 -4.233 0.601 4.001 1.00 0.68 O ATOM 574 CB TYR A 36 -6.122 2.240 2.830 1.00 0.29 C ATOM 575 CG TYR A 36 -7.265 3.138 2.416 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.240 2.690 1.536 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.368 4.433 2.908 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.287 3.507 1.155 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.412 5.257 2.532 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.368 4.789 1.654 1.00 0.60 C ATOM 581 OH TYR A 36 -10.410 5.607 1.280 1.00 0.76 O ATOM 0 H TYR A 36 -6.644 1.743 5.522 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.259 0.431 2.942 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.440 2.805 3.465 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.562 1.947 1.942 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.179 1.686 1.142 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.621 4.802 3.595 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.038 3.143 0.470 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.479 6.261 2.923 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.318 6.477 1.723 1.00 0.76 H new ATOM 591 N ILE A 37 -5.587 -1.198 3.985 1.00 0.24 N ATOM 592 CA ILE A 37 -4.513 -2.144 4.274 1.00 0.26 C ATOM 593 C ILE A 37 -3.712 -2.474 3.027 1.00 0.33 C ATOM 594 O ILE A 37 -4.160 -3.233 2.170 1.00 0.70 O ATOM 595 CB ILE A 37 -5.036 -3.466 4.869 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.295 -3.232 5.704 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.950 -4.128 5.705 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.560 -3.720 5.031 1.00 1.14 C ATOM 0 H ILE A 37 -6.508 -1.623 3.881 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.878 -1.648 5.008 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.301 -4.132 4.048 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.185 -3.737 6.664 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.391 -2.167 5.913 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.329 -5.061 6.121 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.084 -4.336 5.077 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.658 -3.461 6.516 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.415 -3.523 5.677 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.693 -3.197 4.084 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.484 -4.792 4.846 1.00 1.14 H new ATOM 610 N VAL A 38 -2.520 -1.914 2.943 1.00 0.36 N ATOM 611 CA VAL A 38 -1.636 -2.159 1.811 1.00 0.42 C ATOM 612 C VAL A 38 -0.655 -3.270 2.178 1.00 0.35 C ATOM 613 O VAL A 38 -0.145 -3.299 3.290 1.00 0.48 O ATOM 614 CB VAL A 38 -0.886 -0.858 1.379 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.584 0.023 2.582 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.397 -1.148 0.600 1.00 0.51 C ATOM 0 H VAL A 38 -2.137 -1.283 3.647 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.232 -2.475 0.955 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.558 -0.324 0.707 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.062 0.921 2.253 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.517 0.304 3.071 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.043 -0.524 3.285 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.876 -0.208 0.326 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.075 -1.734 1.221 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.156 -1.709 -0.303 1.00 0.51 H new ATOM 626 N GLU A 39 -0.403 -4.181 1.239 1.00 0.30 N ATOM 627 CA GLU A 39 0.514 -5.294 1.473 1.00 0.33 C ATOM 628 C GLU A 39 1.899 -4.968 0.927 1.00 0.32 C ATOM 629 O GLU A 39 2.032 -4.181 -0.014 1.00 0.43 O ATOM 630 CB GLU A 39 -0.027 -6.570 0.823 1.00 0.42 C ATOM 631 CG GLU A 39 -1.500 -6.817 1.114 1.00 0.51 C ATOM 632 CD GLU A 39 -1.849 -8.291 1.154 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.903 -8.918 0.075 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.070 -8.819 2.264 1.00 1.52 O ATOM 0 H GLU A 39 -0.822 -4.170 0.309 1.00 0.30 H new ATOM 0 HA GLU A 39 0.596 -5.456 2.548 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.118 -6.509 -0.256 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.554 -7.423 1.175 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.759 -6.360 2.069 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.104 -6.325 0.352 1.00 0.51 H new ATOM 641 N LYS A 40 2.929 -5.567 1.526 1.00 0.28 N ATOM 642 CA LYS A 40 4.288 -5.333 1.124 1.00 0.31 C ATOM 643 C LYS A 40 4.854 -6.551 0.414 1.00 0.29 C ATOM 644 O LYS A 40 4.406 -7.665 0.643 1.00 0.35 O ATOM 645 CB LYS A 40 5.101 -5.053 2.374 1.00 0.43 C ATOM 646 CG LYS A 40 6.565 -4.960 2.122 1.00 0.92 C ATOM 647 CD LYS A 40 7.311 -4.493 3.362 1.00 1.14 C ATOM 648 CE LYS A 40 7.322 -5.567 4.437 1.00 1.65 C ATOM 649 NZ LYS A 40 8.670 -6.175 4.610 1.00 1.97 N ATOM 0 H LYS A 40 2.830 -6.224 2.300 1.00 0.28 H new ATOM 0 HA LYS A 40 4.329 -4.489 0.435 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.757 -4.120 2.820 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.915 -5.842 3.103 1.00 0.43 H new ATOM 0 HG2 LYS A 40 6.945 -5.933 1.811 1.00 0.92 H new ATOM 0 HG3 LYS A 40 6.751 -4.268 1.301 1.00 0.92 H new ATOM 0 HD2 LYS A 40 8.335 -4.231 3.096 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.842 -3.590 3.752 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.996 -5.135 5.383 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.605 -6.346 4.178 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.625 -7.189 4.385 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 9.346 -5.708 3.972 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.982 -6.053 5.594 1.00 1.97 H new ATOM 663 N ARG A 41 5.853 -6.339 -0.425 1.00 0.36 N ATOM 664 CA ARG A 41 6.474 -7.444 -1.134 1.00 0.40 C ATOM 665 C ARG A 41 7.988 -7.323 -1.066 1.00 0.41 C ATOM 666 O ARG A 41 8.586 -6.505 -1.768 1.00 0.43 O ATOM 667 CB ARG A 41 6.010 -7.484 -2.594 1.00 0.46 C ATOM 668 CG ARG A 41 6.517 -8.691 -3.391 1.00 0.58 C ATOM 669 CD ARG A 41 5.745 -8.829 -4.699 1.00 0.88 C ATOM 670 NE ARG A 41 5.114 -10.136 -4.898 1.00 0.95 N ATOM 671 CZ ARG A 41 4.319 -10.745 -4.024 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.064 -10.180 -2.855 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.779 -11.916 -4.284 1.00 1.44 N ATOM 0 H ARG A 41 6.248 -5.422 -0.631 1.00 0.36 H new ATOM 0 HA ARG A 41 6.171 -8.375 -0.654 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.920 -7.483 -2.615 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.340 -6.572 -3.092 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.581 -8.576 -3.600 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.405 -9.599 -2.798 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.975 -8.059 -4.734 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.425 -8.638 -5.529 1.00 0.88 H new ATOM 0 HE ARG A 41 5.300 -10.617 -5.778 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.478 -9.277 -2.624 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.454 -10.648 -2.185 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.967 -12.378 -5.174 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.172 -12.362 -3.596 1.00 1.44 H new ATOM 687 N ASP A 42 8.598 -8.135 -0.214 1.00 0.50 N ATOM 688 CA ASP A 42 10.048 -8.111 -0.053 1.00 0.57 C ATOM 689 C ASP A 42 10.720 -8.890 -1.180 1.00 0.62 C ATOM 690 O ASP A 42 11.057 -10.065 -1.026 1.00 0.91 O ATOM 691 CB ASP A 42 10.486 -8.690 1.305 1.00 0.71 C ATOM 692 CG ASP A 42 9.369 -8.765 2.334 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.303 -9.331 2.013 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.562 -8.257 3.458 1.00 1.49 O ATOM 0 H ASP A 42 8.116 -8.815 0.374 1.00 0.50 H new ATOM 0 HA ASP A 42 10.359 -7.067 -0.091 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.890 -9.690 1.149 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.295 -8.079 1.705 1.00 0.71 H new ATOM 699 N LEU A 43 10.903 -8.226 -2.313 1.00 0.63 N ATOM 700 CA LEU A 43 11.527 -8.838 -3.484 1.00 0.68 C ATOM 701 C LEU A 43 12.960 -9.281 -3.176 1.00 0.81 C ATOM 702 O LEU A 43 13.564 -8.803 -2.215 1.00 0.90 O ATOM 703 CB LEU A 43 11.506 -7.831 -4.639 1.00 0.62 C ATOM 704 CG LEU A 43 10.126 -7.247 -4.945 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.254 -6.009 -5.812 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.238 -8.283 -5.614 1.00 0.70 C ATOM 0 H LEU A 43 10.626 -7.254 -2.449 1.00 0.63 H new ATOM 0 HA LEU A 43 10.966 -9.729 -3.766 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.189 -7.014 -4.405 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.888 -8.318 -5.536 1.00 0.62 H new ATOM 0 HG LEU A 43 9.659 -6.960 -4.003 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.263 -5.606 -6.020 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.848 -5.259 -5.290 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.744 -6.271 -6.750 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.262 -7.845 -5.822 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.697 -8.607 -6.548 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.117 -9.141 -4.952 1.00 0.70 H new ATOM 718 N PRO A 44 13.526 -10.214 -3.975 1.00 0.92 N ATOM 719 CA PRO A 44 12.866 -10.829 -5.137 1.00 0.99 C ATOM 720 C PRO A 44 11.942 -11.990 -4.777 1.00 1.15 C ATOM 721 O PRO A 44 11.681 -12.858 -5.610 1.00 1.43 O ATOM 722 CB PRO A 44 14.039 -11.344 -5.990 1.00 1.15 C ATOM 723 CG PRO A 44 15.290 -11.015 -5.234 1.00 1.25 C ATOM 724 CD PRO A 44 14.881 -10.740 -3.815 1.00 1.08 C ATOM 0 HA PRO A 44 12.221 -10.108 -5.639 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.956 -12.418 -6.155 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.043 -10.870 -6.972 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.998 -11.843 -5.279 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.787 -10.147 -5.668 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.897 -11.643 -3.205 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.542 -10.019 -3.334 1.00 1.08 H new ATOM 732 N ASN A 45 11.443 -12.007 -3.549 1.00 1.14 N ATOM 733 CA ASN A 45 10.547 -13.070 -3.113 1.00 1.33 C ATOM 734 C ASN A 45 9.452 -12.513 -2.210 1.00 1.43 C ATOM 735 O ASN A 45 8.329 -12.270 -2.655 1.00 2.42 O ATOM 736 CB ASN A 45 11.330 -14.161 -2.380 1.00 1.66 C ATOM 737 CG ASN A 45 12.290 -14.900 -3.291 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.970 -15.966 -3.816 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.477 -14.336 -3.481 1.00 1.89 N ATOM 0 H ASN A 45 11.642 -11.301 -2.840 1.00 1.14 H new ATOM 0 HA ASN A 45 10.080 -13.507 -3.996 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.887 -13.713 -1.557 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.631 -14.873 -1.941 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.166 -14.788 -4.082 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.700 -13.451 -3.026 1.00 1.89 H new ATOM 746 N GLY A 46 9.793 -12.309 -0.940 1.00 0.90 N ATOM 747 CA GLY A 46 8.846 -11.777 0.030 1.00 1.12 C ATOM 748 C GLY A 46 7.431 -12.307 -0.143 1.00 0.76 C ATOM 749 O GLY A 46 7.211 -13.327 -0.794 1.00 0.96 O ATOM 0 H GLY A 46 10.719 -12.505 -0.561 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.194 -12.018 1.034 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.830 -10.690 -0.050 1.00 1.12 H new ATOM 753 N ARG A 47 6.474 -11.598 0.446 1.00 0.80 N ATOM 754 CA ARG A 47 5.065 -11.975 0.365 1.00 0.76 C ATOM 755 C ARG A 47 4.196 -10.761 0.645 1.00 0.85 C ATOM 756 O ARG A 47 4.560 -9.905 1.447 1.00 1.71 O ATOM 757 CB ARG A 47 4.714 -13.103 1.347 1.00 0.99 C ATOM 758 CG ARG A 47 5.839 -13.497 2.286 1.00 1.31 C ATOM 759 CD ARG A 47 6.184 -12.372 3.249 1.00 1.11 C ATOM 760 NE ARG A 47 7.493 -12.561 3.867 1.00 1.41 N ATOM 761 CZ ARG A 47 7.873 -11.950 4.985 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.044 -11.119 5.602 1.00 2.41 N ATOM 763 NH2 ARG A 47 9.081 -12.169 5.487 1.00 2.03 N ATOM 0 H ARG A 47 6.649 -10.753 0.989 1.00 0.80 H new ATOM 0 HA ARG A 47 4.877 -12.345 -0.643 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.854 -12.795 1.941 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.410 -13.981 0.777 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.549 -14.384 2.850 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.722 -13.763 1.705 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.169 -11.421 2.716 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.422 -12.314 4.026 1.00 1.11 H new ATOM 0 HE ARG A 47 8.152 -13.196 3.417 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.114 -10.948 5.219 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.336 -10.651 6.460 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.721 -12.808 5.015 1.00 2.03 H new ATOM 0 HH22 ARG A 47 9.370 -11.699 6.345 1.00 2.03 H new ATOM 777 N TRP A 48 3.051 -10.692 -0.022 1.00 0.50 N ATOM 778 CA TRP A 48 2.134 -9.588 0.144 1.00 0.43 C ATOM 779 C TRP A 48 1.610 -9.556 1.566 1.00 0.45 C ATOM 780 O TRP A 48 0.491 -9.990 1.838 1.00 0.65 O ATOM 781 CB TRP A 48 0.972 -9.681 -0.840 1.00 0.47 C ATOM 782 CG TRP A 48 1.377 -9.526 -2.280 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.249 -10.451 -3.279 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.969 -8.370 -2.887 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.731 -9.935 -4.462 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.172 -8.667 -4.247 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.349 -7.117 -2.416 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.731 -7.759 -5.136 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.910 -6.213 -3.299 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.095 -6.538 -4.646 1.00 0.38 C ATOM 0 H TRP A 48 2.739 -11.399 -0.688 1.00 0.50 H new ATOM 0 HA TRP A 48 2.677 -8.665 -0.061 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.478 -10.645 -0.714 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.239 -8.913 -0.595 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.832 -11.440 -3.158 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.753 -10.426 -5.356 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.208 -6.855 -1.378 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.873 -8.009 -6.177 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.210 -5.239 -2.942 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.534 -5.809 -5.311 1.00 0.38 H new ATOM 801 N LEU A 49 2.427 -9.044 2.468 1.00 0.38 N ATOM 802 CA LEU A 49 2.048 -8.964 3.863 1.00 0.42 C ATOM 803 C LEU A 49 1.966 -7.518 4.323 1.00 0.36 C ATOM 804 O LEU A 49 2.992 -6.869 4.514 1.00 0.39 O ATOM 805 CB LEU A 49 3.047 -9.738 4.718 1.00 0.52 C ATOM 806 CG LEU A 49 2.478 -10.966 5.429 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.534 -10.548 6.546 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.765 -11.873 4.437 1.00 0.84 C ATOM 0 H LEU A 49 3.356 -8.678 2.258 1.00 0.38 H new ATOM 0 HA LEU A 49 1.060 -9.410 3.978 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.875 -10.056 4.084 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.460 -9.063 5.467 1.00 0.52 H new ATOM 0 HG LEU A 49 3.305 -11.522 5.870 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.139 -11.436 7.040 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.075 -9.940 7.271 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.710 -9.969 6.129 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.366 -12.742 4.960 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.948 -11.326 3.966 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.469 -12.201 3.673 1.00 0.84 H new ATOM 820 N LYS A 50 0.725 -7.053 4.498 1.00 0.40 N ATOM 821 CA LYS A 50 0.397 -5.695 4.951 1.00 0.40 C ATOM 822 C LYS A 50 1.538 -4.675 4.749 1.00 0.47 C ATOM 823 O LYS A 50 2.336 -4.788 3.825 1.00 0.85 O ATOM 824 CB LYS A 50 -0.024 -5.766 6.419 1.00 0.59 C ATOM 825 CG LYS A 50 -1.313 -5.028 6.721 1.00 0.72 C ATOM 826 CD LYS A 50 -1.520 -4.847 8.217 1.00 1.03 C ATOM 827 CE LYS A 50 -2.604 -5.773 8.744 1.00 0.86 C ATOM 828 NZ LYS A 50 -2.561 -5.893 10.227 1.00 1.30 N ATOM 0 H LYS A 50 -0.102 -7.625 4.324 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.420 -5.326 4.331 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.139 -6.812 6.704 1.00 0.59 H new ATOM 0 HB3 LYS A 50 0.774 -5.353 7.037 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.296 -4.052 6.235 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -2.155 -5.579 6.301 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -0.585 -5.044 8.741 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.791 -3.812 8.426 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.581 -5.398 8.439 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -2.487 -6.760 8.297 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -3.316 -6.533 10.546 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -1.638 -6.275 10.518 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.698 -4.955 10.655 1.00 1.30 H new ATOM 842 N ALA A 51 1.590 -3.658 5.605 1.00 0.45 N ATOM 843 CA ALA A 51 2.614 -2.626 5.508 1.00 0.63 C ATOM 844 C ALA A 51 2.375 -1.540 6.548 1.00 0.55 C ATOM 845 O ALA A 51 3.315 -1.022 7.152 1.00 0.72 O ATOM 846 CB ALA A 51 2.642 -2.026 4.111 1.00 0.86 C ATOM 0 H ALA A 51 0.933 -3.528 6.374 1.00 0.45 H new ATOM 0 HA ALA A 51 3.583 -3.086 5.703 1.00 0.63 H new ATOM 0 HB1 ALA A 51 3.413 -1.258 4.060 1.00 0.86 H new ATOM 0 HB2 ALA A 51 2.860 -2.808 3.384 1.00 0.86 H new ATOM 0 HB3 ALA A 51 1.672 -1.582 3.886 1.00 0.86 H new ATOM 852 N ASN A 52 1.107 -1.199 6.748 1.00 0.42 N ATOM 853 CA ASN A 52 0.734 -0.174 7.713 1.00 0.43 C ATOM 854 C ASN A 52 0.841 -0.710 9.146 1.00 0.59 C ATOM 855 O ASN A 52 1.268 0.003 10.055 1.00 1.60 O ATOM 856 CB ASN A 52 -0.673 0.373 7.369 1.00 0.38 C ATOM 857 CG ASN A 52 -1.733 0.144 8.437 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.603 0.615 9.566 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.785 -0.583 8.081 1.00 0.62 N ATOM 0 H ASN A 52 0.320 -1.619 6.254 1.00 0.42 H new ATOM 0 HA ASN A 52 1.430 0.662 7.654 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.594 1.444 7.181 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.009 -0.089 6.441 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.527 -0.771 8.755 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.851 -0.954 7.133 1.00 0.62 H new ATOM 866 N PHE A 53 0.467 -1.970 9.337 1.00 0.81 N ATOM 867 CA PHE A 53 0.538 -2.599 10.652 1.00 0.82 C ATOM 868 C PHE A 53 -0.278 -1.836 11.695 1.00 0.84 C ATOM 869 O PHE A 53 0.102 -1.777 12.864 1.00 1.20 O ATOM 870 CB PHE A 53 1.994 -2.689 11.106 1.00 0.96 C ATOM 871 CG PHE A 53 2.218 -3.691 12.199 1.00 1.15 C ATOM 872 CD1 PHE A 53 1.607 -4.932 12.150 1.00 1.32 C ATOM 873 CD2 PHE A 53 3.036 -3.393 13.276 1.00 1.68 C ATOM 874 CE1 PHE A 53 1.808 -5.858 13.151 1.00 1.66 C ATOM 875 CE2 PHE A 53 3.242 -4.316 14.284 1.00 2.08 C ATOM 876 CZ PHE A 53 2.626 -5.550 14.221 1.00 1.96 C ATOM 0 H PHE A 53 0.111 -2.577 8.598 1.00 0.81 H new ATOM 0 HA PHE A 53 0.113 -3.599 10.562 1.00 0.82 H new ATOM 0 HB2 PHE A 53 2.618 -2.950 10.251 1.00 0.96 H new ATOM 0 HB3 PHE A 53 2.320 -1.708 11.451 1.00 0.96 H new ATOM 0 HD1 PHE A 53 0.965 -5.178 11.317 1.00 1.32 H new ATOM 0 HD2 PHE A 53 3.519 -2.428 13.329 1.00 1.68 H new ATOM 0 HE1 PHE A 53 1.327 -6.823 13.099 1.00 1.66 H new ATOM 0 HE2 PHE A 53 3.883 -4.073 15.118 1.00 2.08 H new ATOM 0 HZ PHE A 53 2.783 -6.274 15.007 1.00 1.96 H new ATOM 886 N SER A 54 -1.400 -1.259 11.275 1.00 0.79 N ATOM 887 CA SER A 54 -2.254 -0.512 12.196 1.00 0.89 C ATOM 888 C SER A 54 -3.598 -0.144 11.555 1.00 0.95 C ATOM 889 O SER A 54 -4.550 -0.922 11.615 1.00 1.89 O ATOM 890 CB SER A 54 -1.532 0.746 12.688 1.00 1.00 C ATOM 891 OG SER A 54 -2.438 1.650 13.296 1.00 1.71 O ATOM 0 H SER A 54 -1.738 -1.293 10.313 1.00 0.79 H new ATOM 0 HA SER A 54 -2.465 -1.157 13.049 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.757 0.468 13.402 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.034 1.234 11.850 1.00 1.00 H new ATOM 0 HG SER A 54 -1.952 2.444 13.603 1.00 1.71 H new ATOM 897 N ASN A 55 -3.674 1.041 10.949 1.00 0.75 N ATOM 898 CA ASN A 55 -4.903 1.498 10.310 1.00 0.69 C ATOM 899 C ASN A 55 -4.619 2.695 9.403 1.00 0.66 C ATOM 900 O ASN A 55 -4.050 3.697 9.839 1.00 1.05 O ATOM 901 CB ASN A 55 -5.948 1.860 11.381 1.00 0.84 C ATOM 902 CG ASN A 55 -7.102 2.696 10.848 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.166 3.903 11.079 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.021 2.055 10.135 1.00 0.83 N ATOM 0 H ASN A 55 -2.898 1.700 10.888 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.302 0.693 9.693 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.345 0.942 11.814 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.457 2.406 12.186 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.819 2.565 9.755 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.929 1.053 9.967 1.00 0.83 H new ATOM 911 N ILE A 56 -5.020 2.583 8.142 1.00 0.40 N ATOM 912 CA ILE A 56 -4.808 3.652 7.175 1.00 0.33 C ATOM 913 C ILE A 56 -6.128 4.319 6.800 1.00 0.31 C ATOM 914 O ILE A 56 -6.663 4.092 5.715 1.00 0.53 O ATOM 915 CB ILE A 56 -4.128 3.125 5.898 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.871 2.331 6.257 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.786 4.276 4.964 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.092 1.847 5.053 1.00 0.69 C ATOM 0 H ILE A 56 -5.494 1.762 7.766 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.155 4.386 7.647 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.821 2.461 5.382 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.222 2.954 6.872 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.156 1.471 6.864 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.306 3.886 4.066 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.699 4.804 4.687 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.108 4.964 5.468 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.215 1.292 5.386 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.724 1.197 4.448 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.775 2.703 4.457 1.00 0.69 H new ATOM 930 N LEU A 57 -6.650 5.143 7.705 1.00 0.44 N ATOM 931 CA LEU A 57 -7.909 5.840 7.465 1.00 0.45 C ATOM 932 C LEU A 57 -7.867 6.603 6.144 1.00 0.42 C ATOM 933 O LEU A 57 -8.528 6.221 5.178 1.00 0.60 O ATOM 934 CB LEU A 57 -8.222 6.796 8.618 1.00 0.48 C ATOM 935 CG LEU A 57 -9.681 7.255 8.694 1.00 0.85 C ATOM 936 CD1 LEU A 57 -9.960 8.312 7.637 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.621 6.070 8.529 1.00 0.72 C ATOM 0 H LEU A 57 -6.221 5.344 8.609 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.701 5.093 7.404 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.960 6.308 9.557 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.584 7.675 8.526 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.855 7.696 9.675 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.001 8.628 7.704 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.309 9.171 7.801 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.770 7.896 6.648 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.654 6.414 8.586 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.448 5.600 7.561 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.436 5.346 9.322 1.00 0.72 H new ATOM 949 N GLU A 58 -7.084 7.678 6.101 1.00 0.39 N ATOM 950 CA GLU A 58 -6.960 8.477 4.893 1.00 0.43 C ATOM 951 C GLU A 58 -6.173 7.713 3.838 1.00 0.51 C ATOM 952 O GLU A 58 -5.598 6.661 4.124 1.00 1.09 O ATOM 953 CB GLU A 58 -6.276 9.811 5.199 1.00 0.44 C ATOM 954 CG GLU A 58 -4.823 9.667 5.624 1.00 0.44 C ATOM 955 CD GLU A 58 -4.607 10.007 7.086 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.902 9.148 7.944 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.141 11.129 7.372 1.00 1.54 O ATOM 0 H GLU A 58 -6.529 8.012 6.889 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.959 8.681 4.509 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.326 10.447 4.315 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.828 10.320 5.989 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.494 8.644 5.440 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.202 10.317 5.008 1.00 0.44 H new ATOM 964 N ASN A 59 -6.151 8.237 2.624 1.00 0.31 N ATOM 965 CA ASN A 59 -5.431 7.586 1.537 1.00 0.28 C ATOM 966 C ASN A 59 -3.945 7.964 1.529 1.00 0.28 C ATOM 967 O ASN A 59 -3.209 7.584 0.619 1.00 0.49 O ATOM 968 CB ASN A 59 -6.068 7.924 0.191 1.00 0.32 C ATOM 969 CG ASN A 59 -6.018 9.407 -0.119 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.755 10.227 0.758 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.274 9.758 -1.375 1.00 0.91 N ATOM 0 H ASN A 59 -6.619 9.105 2.365 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.499 6.511 1.703 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.556 7.374 -0.598 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.106 7.591 0.190 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.257 10.742 -1.643 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.488 9.043 -2.071 1.00 0.91 H new ATOM 978 N GLU A 60 -3.509 8.700 2.550 1.00 0.29 N ATOM 979 CA GLU A 60 -2.111 9.107 2.664 1.00 0.29 C ATOM 980 C GLU A 60 -1.499 8.451 3.894 1.00 0.27 C ATOM 981 O GLU A 60 -1.790 8.846 5.023 1.00 0.35 O ATOM 982 CB GLU A 60 -1.997 10.631 2.765 1.00 0.34 C ATOM 983 CG GLU A 60 -0.700 11.186 2.191 1.00 0.49 C ATOM 984 CD GLU A 60 -0.725 11.284 0.679 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.988 10.255 0.019 1.00 1.91 O ATOM 986 OE2 GLU A 60 -0.482 12.389 0.152 1.00 2.05 O ATOM 0 H GLU A 60 -4.105 9.027 3.311 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.572 8.787 1.772 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.839 11.085 2.243 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.076 10.924 3.812 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.514 12.174 2.612 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.130 10.549 2.496 1.00 0.49 H new ATOM 993 N PHE A 61 -0.667 7.437 3.679 1.00 0.24 N ATOM 994 CA PHE A 61 -0.050 6.727 4.796 1.00 0.24 C ATOM 995 C PHE A 61 1.430 6.447 4.558 1.00 0.24 C ATOM 996 O PHE A 61 1.919 6.532 3.431 1.00 0.25 O ATOM 997 CB PHE A 61 -0.789 5.412 5.036 1.00 0.28 C ATOM 998 CG PHE A 61 -0.177 4.571 6.115 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.831 3.665 5.822 1.00 0.37 C ATOM 1000 CD2 PHE A 61 -0.607 4.689 7.426 1.00 0.41 C ATOM 1001 CE1 PHE A 61 1.391 2.900 6.814 1.00 0.44 C ATOM 1002 CE2 PHE A 61 -0.045 3.918 8.424 1.00 0.48 C ATOM 1003 CZ PHE A 61 0.957 3.023 8.114 1.00 0.48 C ATOM 0 H PHE A 61 -0.406 7.091 2.755 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.124 7.369 5.674 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.824 5.629 5.299 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.808 4.841 4.108 1.00 0.28 H new ATOM 0 HD1 PHE A 61 1.178 3.561 4.805 1.00 0.37 H new ATOM 0 HD2 PHE A 61 -1.390 5.391 7.670 1.00 0.41 H new ATOM 0 HE1 PHE A 61 2.176 2.198 6.573 1.00 0.44 H new ATOM 0 HE2 PHE A 61 -0.389 4.016 9.443 1.00 0.48 H new ATOM 0 HZ PHE A 61 1.401 2.419 8.891 1.00 0.48 H new ATOM 1013 N THR A 62 2.139 6.106 5.637 1.00 0.25 N ATOM 1014 CA THR A 62 3.559 5.805 5.553 1.00 0.27 C ATOM 1015 C THR A 62 3.848 4.356 5.916 1.00 0.29 C ATOM 1016 O THR A 62 3.814 3.972 7.085 1.00 0.35 O ATOM 1017 CB THR A 62 4.373 6.740 6.445 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.145 8.093 6.094 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.865 6.487 6.367 1.00 0.37 C ATOM 0 H THR A 62 1.748 6.033 6.576 1.00 0.25 H new ATOM 0 HA THR A 62 3.858 5.962 4.517 1.00 0.27 H new ATOM 0 HB THR A 62 4.038 6.537 7.462 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.674 8.676 6.677 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.387 7.183 7.023 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.078 5.465 6.680 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.205 6.631 5.341 1.00 0.37 H new ATOM 1027 N VAL A 63 4.142 3.559 4.895 1.00 0.31 N ATOM 1028 CA VAL A 63 4.446 2.152 5.084 1.00 0.36 C ATOM 1029 C VAL A 63 5.851 1.967 5.653 1.00 0.38 C ATOM 1030 O VAL A 63 6.838 2.354 5.031 1.00 0.50 O ATOM 1031 CB VAL A 63 4.308 1.379 3.758 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.789 -0.057 3.912 1.00 1.08 C ATOM 1033 CG2 VAL A 63 2.859 1.421 3.300 1.00 0.58 C ATOM 0 H VAL A 63 4.175 3.869 3.924 1.00 0.31 H new ATOM 0 HA VAL A 63 3.727 1.751 5.799 1.00 0.36 H new ATOM 0 HB VAL A 63 4.935 1.853 3.002 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.681 -0.581 2.962 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.837 -0.060 4.211 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.194 -0.560 4.674 1.00 1.08 H new ATOM 0 HG21 VAL A 63 2.758 0.875 2.362 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.224 0.961 4.058 1.00 0.58 H new ATOM 0 HG23 VAL A 63 2.554 2.457 3.151 1.00 0.58 H new ATOM 1043 N SER A 64 5.932 1.374 6.838 1.00 0.49 N ATOM 1044 CA SER A 64 7.216 1.143 7.485 1.00 0.55 C ATOM 1045 C SER A 64 7.417 -0.332 7.809 1.00 0.63 C ATOM 1046 O SER A 64 6.455 -1.086 7.966 1.00 0.99 O ATOM 1047 CB SER A 64 7.322 1.976 8.762 1.00 0.63 C ATOM 1048 OG SER A 64 6.243 1.707 9.641 1.00 1.33 O ATOM 0 H SER A 64 5.125 1.045 7.369 1.00 0.49 H new ATOM 0 HA SER A 64 7.999 1.447 6.790 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.265 1.759 9.263 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.332 3.036 8.508 1.00 0.63 H new ATOM 0 HG SER A 64 6.337 2.252 10.450 1.00 1.33 H new ATOM 1054 N GLY A 65 8.678 -0.732 7.906 1.00 0.71 N ATOM 1055 CA GLY A 65 9.005 -2.113 8.211 1.00 0.78 C ATOM 1056 C GLY A 65 9.935 -2.739 7.187 1.00 0.72 C ATOM 1057 O GLY A 65 10.357 -3.885 7.345 1.00 0.90 O ATOM 0 H GLY A 65 9.485 -0.122 7.778 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.471 -2.162 9.195 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.085 -2.696 8.264 1.00 0.78 H new ATOM 1061 N LEU A 66 10.253 -1.995 6.131 1.00 0.64 N ATOM 1062 CA LEU A 66 11.126 -2.489 5.083 1.00 0.65 C ATOM 1063 C LEU A 66 12.544 -2.723 5.589 1.00 0.59 C ATOM 1064 O LEU A 66 12.917 -2.266 6.668 1.00 0.65 O ATOM 1065 CB LEU A 66 11.140 -1.496 3.929 1.00 0.74 C ATOM 1066 CG LEU A 66 9.962 -1.633 2.970 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.649 -1.733 3.730 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.932 -0.473 1.987 1.00 0.89 C ATOM 0 H LEU A 66 9.915 -1.044 5.983 1.00 0.64 H new ATOM 0 HA LEU A 66 10.739 -3.450 4.743 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.147 -0.485 4.335 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.066 -1.621 3.368 1.00 0.74 H new ATOM 0 HG LEU A 66 10.092 -2.556 2.404 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.826 -1.830 3.022 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.672 -2.606 4.382 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.507 -0.835 4.331 1.00 1.47 H new ATOM 0 HD21 LEU A 66 9.084 -0.590 1.312 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.834 0.465 2.534 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.857 -0.461 1.410 1.00 0.89 H new ATOM 1080 N THR A 67 13.327 -3.439 4.791 1.00 0.65 N ATOM 1081 CA THR A 67 14.710 -3.742 5.134 1.00 0.69 C ATOM 1082 C THR A 67 15.651 -3.210 4.060 1.00 0.72 C ATOM 1083 O THR A 67 15.475 -3.489 2.874 1.00 1.06 O ATOM 1084 CB THR A 67 14.898 -5.249 5.300 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.755 -5.835 5.902 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.099 -5.610 6.148 1.00 0.99 C ATOM 0 H THR A 67 13.024 -3.823 3.896 1.00 0.65 H new ATOM 0 HA THR A 67 14.947 -3.254 6.079 1.00 0.69 H new ATOM 0 HB THR A 67 15.054 -5.634 4.292 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.081 -6.019 5.214 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.176 -6.694 6.227 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.003 -5.215 5.685 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.984 -5.181 7.143 1.00 0.99 H new ATOM 1094 N GLU A 68 16.643 -2.438 4.483 1.00 0.66 N ATOM 1095 CA GLU A 68 17.610 -1.857 3.562 1.00 0.67 C ATOM 1096 C GLU A 68 18.169 -2.905 2.604 1.00 0.60 C ATOM 1097 O GLU A 68 18.355 -4.065 2.972 1.00 0.69 O ATOM 1098 CB GLU A 68 18.749 -1.209 4.348 1.00 0.76 C ATOM 1099 CG GLU A 68 19.600 -0.265 3.519 1.00 0.96 C ATOM 1100 CD GLU A 68 20.520 0.590 4.369 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.437 0.496 5.612 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.323 1.353 3.793 1.00 1.89 O ATOM 0 H GLU A 68 16.799 -2.199 5.462 1.00 0.66 H new ATOM 0 HA GLU A 68 17.098 -1.100 2.968 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.331 -0.661 5.192 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.386 -1.992 4.760 1.00 0.76 H new ATOM 0 HG2 GLU A 68 20.197 -0.844 2.814 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.950 0.382 2.930 1.00 0.96 H new ATOM 1109 N ASP A 69 18.439 -2.480 1.374 1.00 0.52 N ATOM 1110 CA ASP A 69 18.986 -3.364 0.352 1.00 0.49 C ATOM 1111 C ASP A 69 17.972 -4.421 -0.075 1.00 0.44 C ATOM 1112 O ASP A 69 18.261 -5.618 -0.042 1.00 0.54 O ATOM 1113 CB ASP A 69 20.257 -4.040 0.865 1.00 0.59 C ATOM 1114 CG ASP A 69 21.178 -4.468 -0.260 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.784 -4.325 -1.437 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.294 -4.945 0.036 1.00 1.87 O ATOM 0 H ASP A 69 18.286 -1.522 1.060 1.00 0.52 H new ATOM 0 HA ASP A 69 19.226 -2.755 -0.520 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.789 -3.355 1.525 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.987 -4.912 1.461 1.00 0.59 H new ATOM 1121 N ALA A 70 16.785 -3.977 -0.479 1.00 0.40 N ATOM 1122 CA ALA A 70 15.738 -4.893 -0.914 1.00 0.40 C ATOM 1123 C ALA A 70 14.579 -4.144 -1.558 1.00 0.35 C ATOM 1124 O ALA A 70 13.943 -3.305 -0.921 1.00 0.36 O ATOM 1125 CB ALA A 70 15.235 -5.715 0.261 1.00 0.49 C ATOM 0 H ALA A 70 16.526 -2.991 -0.514 1.00 0.40 H new ATOM 0 HA ALA A 70 16.168 -5.560 -1.661 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.453 -6.395 -0.079 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.059 -6.291 0.681 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.831 -5.050 1.024 1.00 0.49 H new ATOM 1131 N ALA A 71 14.300 -4.456 -2.819 1.00 0.33 N ATOM 1132 CA ALA A 71 13.207 -3.809 -3.529 1.00 0.30 C ATOM 1133 C ALA A 71 11.875 -4.219 -2.928 1.00 0.27 C ATOM 1134 O ALA A 71 11.659 -5.390 -2.616 1.00 0.36 O ATOM 1135 CB ALA A 71 13.259 -4.134 -5.013 1.00 0.34 C ATOM 0 H ALA A 71 14.812 -5.148 -3.366 1.00 0.33 H new ATOM 0 HA ALA A 71 13.314 -2.730 -3.422 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.432 -3.639 -5.523 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.204 -3.784 -5.429 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.178 -5.212 -5.152 1.00 0.34 H new ATOM 1141 N TYR A 72 10.991 -3.248 -2.740 1.00 0.24 N ATOM 1142 CA TYR A 72 9.696 -3.526 -2.141 1.00 0.24 C ATOM 1143 C TYR A 72 8.521 -2.998 -2.962 1.00 0.21 C ATOM 1144 O TYR A 72 8.423 -1.802 -3.233 1.00 0.23 O ATOM 1145 CB TYR A 72 9.645 -2.912 -0.748 1.00 0.30 C ATOM 1146 CG TYR A 72 10.215 -3.799 0.329 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.433 -4.780 0.915 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.527 -3.653 0.765 1.00 0.36 C ATOM 1149 CE1 TYR A 72 9.928 -5.596 1.904 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.037 -4.468 1.760 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.232 -5.438 2.328 1.00 0.46 C ATOM 1152 OH TYR A 72 11.734 -6.252 3.319 1.00 0.56 O ATOM 0 H TYR A 72 11.146 -2.272 -2.991 1.00 0.24 H new ATOM 0 HA TYR A 72 9.594 -4.610 -2.101 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.192 -1.969 -0.756 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.609 -2.677 -0.502 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.412 -4.907 0.588 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.155 -2.895 0.322 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.301 -6.356 2.346 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.058 -4.347 2.091 1.00 0.42 H new ATOM 0 HH TYR A 72 11.080 -6.950 3.531 1.00 0.56 H new ATOM 1162 N GLU A 73 7.615 -3.906 -3.315 1.00 0.21 N ATOM 1163 CA GLU A 73 6.409 -3.559 -4.068 1.00 0.21 C ATOM 1164 C GLU A 73 5.217 -3.615 -3.119 1.00 0.23 C ATOM 1165 O GLU A 73 5.164 -4.491 -2.256 1.00 0.32 O ATOM 1166 CB GLU A 73 6.204 -4.530 -5.232 1.00 0.25 C ATOM 1167 CG GLU A 73 6.785 -4.043 -6.549 1.00 0.65 C ATOM 1168 CD GLU A 73 5.721 -3.795 -7.601 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.626 -3.319 -7.235 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.983 -4.076 -8.789 1.00 1.32 O ATOM 0 H GLU A 73 7.693 -4.898 -3.090 1.00 0.21 H new ATOM 0 HA GLU A 73 6.510 -2.556 -4.483 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.658 -5.488 -4.978 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.136 -4.708 -5.361 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.342 -3.122 -6.377 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.495 -4.780 -6.923 1.00 0.65 H new ATOM 1177 N PHE A 74 4.271 -2.684 -3.237 1.00 0.22 N ATOM 1178 CA PHE A 74 3.121 -2.705 -2.298 1.00 0.28 C ATOM 1179 C PHE A 74 1.760 -2.443 -2.947 1.00 0.25 C ATOM 1180 O PHE A 74 1.574 -1.450 -3.642 1.00 0.30 O ATOM 1181 CB PHE A 74 3.324 -1.690 -1.163 1.00 0.39 C ATOM 1182 CG PHE A 74 4.737 -1.212 -1.007 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.295 -0.334 -1.921 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.504 -1.644 0.058 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.596 0.104 -1.771 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.801 -1.212 0.213 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.346 -0.318 -0.738 1.00 0.53 C ATOM 0 H PHE A 74 4.262 -1.937 -3.931 1.00 0.22 H new ATOM 0 HA PHE A 74 3.100 -3.725 -1.915 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.679 -0.829 -1.342 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.000 -2.142 -0.225 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.707 0.011 -2.759 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.080 -2.329 0.777 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.015 0.792 -2.490 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.395 -1.551 1.049 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.365 0.026 -0.634 1.00 0.53 H new ATOM 1197 N ARG A 75 0.795 -3.332 -2.670 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.570 -3.184 -3.195 1.00 0.34 C ATOM 1199 C ARG A 75 -1.503 -2.685 -2.098 1.00 0.31 C ATOM 1200 O ARG A 75 -1.326 -3.022 -0.931 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.119 -4.501 -3.774 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.470 -5.769 -3.236 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.745 -6.957 -4.155 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.084 -8.179 -3.421 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.953 -9.098 -3.849 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.572 -8.928 -5.008 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -2.212 -10.183 -3.126 1.00 2.11 N ATOM 0 H ARG A 75 0.934 -4.158 -2.088 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.524 -2.457 -4.006 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.190 -4.548 -3.575 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.997 -4.481 -4.857 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.606 -5.619 -3.141 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.851 -5.981 -2.237 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.563 -6.706 -4.830 1.00 1.08 H new ATOM 0 HD3 ARG A 75 0.133 -7.142 -4.773 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.626 -8.338 -2.524 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.384 -8.098 -5.570 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -3.237 -9.628 -5.339 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -1.744 -10.323 -2.230 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -2.879 -10.876 -3.467 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.495 -1.876 -2.464 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.426 -1.349 -1.463 1.00 0.39 C ATOM 1223 C VAL A 76 -4.744 -2.125 -1.426 1.00 0.31 C ATOM 1224 O VAL A 76 -5.582 -2.005 -2.320 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.715 0.168 -1.668 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.899 0.642 -0.824 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.490 0.996 -1.319 1.00 0.54 C ATOM 0 H VAL A 76 -2.675 -1.575 -3.422 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.926 -1.479 -0.503 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.966 0.305 -2.720 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.066 1.705 -0.997 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.792 0.084 -1.104 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.683 0.475 0.231 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.711 2.053 -1.468 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.220 0.825 -0.277 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.659 0.705 -1.961 1.00 0.54 H new ATOM 1237 N ILE A 77 -4.924 -2.887 -0.352 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.131 -3.650 -0.132 1.00 0.31 C ATOM 1239 C ILE A 77 -6.979 -2.888 0.874 1.00 0.30 C ATOM 1240 O ILE A 77 -6.436 -2.178 1.716 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.814 -5.050 0.432 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -4.988 -5.862 -0.559 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.093 -5.778 0.776 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.599 -7.226 -0.036 1.00 0.42 C ATOM 0 H ILE A 77 -4.230 -2.988 0.388 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.654 -3.782 -1.079 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.226 -4.927 1.341 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.556 -5.983 -1.482 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.085 -5.306 -0.811 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.855 -6.765 1.173 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.645 -5.210 1.524 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.703 -5.885 -0.121 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.013 -7.751 -0.790 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.005 -7.112 0.871 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.498 -7.799 0.189 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.293 -3.009 0.807 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.121 -2.279 1.759 1.00 0.30 C ATOM 1258 C ALA A 78 -10.522 -2.841 1.858 1.00 0.34 C ATOM 1259 O ALA A 78 -11.090 -3.298 0.876 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.173 -0.805 1.386 1.00 0.39 C ATOM 0 H ALA A 78 -8.798 -3.582 0.131 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.659 -2.393 2.740 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.794 -0.270 2.104 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.165 -0.391 1.399 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.597 -0.697 0.388 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.082 -2.795 3.057 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.425 -3.295 3.271 1.00 0.43 C ATOM 1268 C LYS A 79 -13.437 -2.175 3.118 1.00 0.59 C ATOM 1269 O LYS A 79 -13.146 -1.141 2.517 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.548 -3.957 4.644 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.529 -2.977 5.808 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.322 -3.504 6.993 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.878 -4.904 7.386 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.917 -5.107 8.861 1.00 1.98 N ATOM 0 H LYS A 79 -10.629 -2.419 3.890 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.634 -4.052 2.515 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.476 -4.528 4.679 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -11.731 -4.668 4.768 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.499 -2.791 6.112 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.944 -2.021 5.487 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.199 -2.831 7.842 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.383 -3.514 6.745 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.522 -5.638 6.902 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.865 -5.079 7.022 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.607 -6.074 9.087 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.283 -4.424 9.322 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.888 -4.966 9.205 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.630 -2.385 3.650 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.682 -1.389 3.551 1.00 0.70 C ATOM 1290 C ASN A 80 -16.627 -1.463 4.746 1.00 0.87 C ATOM 1291 O ASN A 80 -16.619 -2.435 5.501 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.463 -1.611 2.260 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.762 -3.077 2.024 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -15.852 -3.898 1.939 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.042 -3.413 1.921 1.00 2.05 N ATOM 0 H ASN A 80 -14.893 -3.233 4.153 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.224 -0.400 3.545 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.398 -1.052 2.301 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.893 -1.217 1.419 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.303 -4.387 1.765 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -18.765 -2.698 1.998 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.444 -0.426 4.909 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.405 -0.359 6.006 1.00 0.82 C ATOM 1304 C ALA A 81 -19.134 -1.688 6.220 1.00 0.88 C ATOM 1305 O ALA A 81 -19.585 -1.979 7.328 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.416 0.749 5.745 1.00 0.83 C ATOM 0 H ALA A 81 -17.459 0.385 4.290 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.845 -0.143 6.916 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.129 0.792 6.568 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.897 1.704 5.665 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.947 0.545 4.815 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.259 -2.489 5.161 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.949 -3.772 5.257 1.00 0.90 C ATOM 1314 C ALA A 82 -18.988 -4.915 5.577 1.00 0.88 C ATOM 1315 O ALA A 82 -19.406 -5.973 6.051 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.698 -4.060 3.965 1.00 0.94 C ATOM 0 H ALA A 82 -18.894 -2.272 4.234 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.660 -3.703 6.080 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.209 -5.019 4.047 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.430 -3.273 3.786 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -19.992 -4.095 3.135 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.704 -4.703 5.313 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.713 -5.732 5.576 1.00 0.86 C ATOM 1324 C GLY A 83 -16.358 -6.539 4.337 1.00 0.78 C ATOM 1325 O GLY A 83 -15.508 -7.427 4.393 1.00 0.93 O ATOM 0 H GLY A 83 -17.331 -3.838 4.922 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.810 -5.268 5.972 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.090 -6.405 6.346 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.004 -6.228 3.213 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.745 -6.926 1.959 1.00 0.78 C ATOM 1331 C ALA A 84 -15.397 -6.507 1.386 1.00 0.76 C ATOM 1332 O ALA A 84 -15.326 -5.709 0.453 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.857 -6.637 0.966 1.00 0.92 C ATOM 0 H ALA A 84 -17.711 -5.496 3.148 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.717 -7.998 2.152 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.656 -7.162 0.032 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.808 -6.977 1.376 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.906 -5.565 0.776 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.332 -7.045 1.969 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.965 -6.730 1.555 1.00 0.40 C ATOM 1341 C ILE A 85 -12.816 -6.478 0.060 1.00 0.38 C ATOM 1342 O ILE A 85 -13.179 -7.311 -0.771 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.976 -7.836 1.963 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.540 -7.364 1.728 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.257 -9.113 1.187 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.971 -6.570 2.883 1.00 0.79 C ATOM 0 H ILE A 85 -14.389 -7.710 2.740 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.731 -5.803 2.078 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.103 -8.050 3.024 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.906 -8.232 1.546 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.510 -6.752 0.826 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.549 -9.885 1.488 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.272 -9.450 1.397 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.152 -8.920 0.119 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.950 -6.267 2.649 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.583 -5.684 3.052 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -9.969 -7.186 3.782 1.00 0.79 H new ATOM 1358 N SER A 86 -12.255 -5.316 -0.262 1.00 0.39 N ATOM 1359 CA SER A 86 -12.017 -4.925 -1.645 1.00 0.45 C ATOM 1360 C SER A 86 -10.625 -5.389 -2.077 1.00 0.44 C ATOM 1361 O SER A 86 -9.625 -5.059 -1.420 1.00 0.43 O ATOM 1362 CB SER A 86 -12.140 -3.404 -1.810 1.00 0.54 C ATOM 1363 OG SER A 86 -10.946 -2.736 -1.435 1.00 0.59 O ATOM 0 H SER A 86 -11.955 -4.624 0.425 1.00 0.39 H new ATOM 0 HA SER A 86 -12.769 -5.398 -2.276 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.378 -3.169 -2.847 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.968 -3.038 -1.202 1.00 0.54 H new ATOM 0 HG SER A 86 -10.958 -2.562 -0.471 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.539 -6.160 -3.181 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.269 -6.672 -3.694 1.00 0.61 C ATOM 1371 C PRO A 87 -8.144 -5.646 -3.619 1.00 0.54 C ATOM 1372 O PRO A 87 -8.389 -4.456 -3.421 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.595 -7.008 -5.145 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.038 -7.384 -5.130 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.678 -6.595 -4.014 1.00 0.59 C ATOM 0 HA PRO A 87 -8.906 -7.519 -3.112 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.415 -6.155 -5.799 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -8.976 -7.827 -5.511 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.508 -7.154 -6.086 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.158 -8.455 -4.965 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.239 -5.743 -4.399 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.378 -7.206 -3.444 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.887 -6.099 -3.775 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.716 -5.223 -3.720 1.00 0.56 C ATOM 1385 C PRO A 88 -5.588 -4.330 -4.943 1.00 0.48 C ATOM 1386 O PRO A 88 -5.987 -4.703 -6.047 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.526 -6.194 -3.652 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.115 -7.552 -3.443 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.504 -7.497 -4.010 1.00 0.72 C ATOM 0 HA PRO A 88 -5.778 -4.541 -2.872 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.941 -6.159 -4.571 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.853 -5.930 -2.836 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.520 -8.316 -3.944 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.137 -7.808 -2.384 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.520 -7.750 -5.070 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.176 -8.192 -3.507 1.00 0.72 H new ATOM 1397 N SER A 89 -5.016 -3.149 -4.740 1.00 0.43 N ATOM 1398 CA SER A 89 -4.817 -2.201 -5.824 1.00 0.42 C ATOM 1399 C SER A 89 -3.413 -2.356 -6.391 1.00 0.35 C ATOM 1400 O SER A 89 -2.439 -2.357 -5.631 1.00 0.51 O ATOM 1401 CB SER A 89 -5.031 -0.766 -5.338 1.00 0.56 C ATOM 1402 OG SER A 89 -6.380 -0.364 -5.505 1.00 1.28 O ATOM 0 H SER A 89 -4.682 -2.827 -3.832 1.00 0.43 H new ATOM 0 HA SER A 89 -5.548 -2.409 -6.606 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.754 -0.690 -4.287 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.377 -0.091 -5.890 1.00 0.56 H new ATOM 0 HG SER A 89 -6.419 0.607 -5.631 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.337 -2.494 -7.727 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.070 -2.666 -8.470 1.00 0.37 C ATOM 1410 C GLU A 90 -0.848 -2.193 -7.680 1.00 0.34 C ATOM 1411 O GLU A 90 -0.600 -0.997 -7.568 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.144 -1.908 -9.798 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.892 -2.040 -10.648 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.039 -3.079 -11.742 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.540 -4.184 -11.446 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.652 -2.788 -12.893 1.00 1.77 O ATOM 0 H GLU A 90 -4.160 -2.490 -8.329 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.946 -3.735 -8.646 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.999 -2.273 -10.367 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -2.324 -0.853 -9.594 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.659 -1.075 -11.097 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.050 -2.306 -10.009 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.072 -3.134 -7.116 1.00 0.30 N ATOM 1424 CA PRO A 91 1.114 -2.813 -6.328 1.00 0.29 C ATOM 1425 C PRO A 91 1.919 -1.641 -6.869 1.00 0.31 C ATOM 1426 O PRO A 91 1.957 -1.397 -8.074 1.00 0.55 O ATOM 1427 CB PRO A 91 1.926 -4.096 -6.415 1.00 0.36 C ATOM 1428 CG PRO A 91 0.896 -5.168 -6.440 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.287 -4.596 -7.191 1.00 0.39 C ATOM 0 HA PRO A 91 0.848 -2.502 -5.318 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.546 -4.117 -7.311 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.595 -4.204 -5.561 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.276 -6.062 -6.934 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.612 -5.459 -5.429 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.314 -4.945 -8.223 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.232 -4.886 -6.732 1.00 0.39 H new ATOM 1437 N SER A 92 2.575 -0.933 -5.957 1.00 0.27 N ATOM 1438 CA SER A 92 3.404 0.201 -6.314 1.00 0.31 C ATOM 1439 C SER A 92 4.797 -0.289 -6.640 1.00 0.27 C ATOM 1440 O SER A 92 5.274 -1.256 -6.030 1.00 0.24 O ATOM 1441 CB SER A 92 3.480 1.217 -5.174 1.00 0.39 C ATOM 1442 OG SER A 92 2.934 0.697 -3.980 1.00 1.23 O ATOM 0 H SER A 92 2.545 -1.131 -4.957 1.00 0.27 H new ATOM 0 HA SER A 92 2.960 0.693 -7.179 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.519 1.501 -5.007 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.944 2.123 -5.456 1.00 0.39 H new ATOM 0 HG SER A 92 2.999 1.370 -3.270 1.00 1.23 H new ATOM 1448 N ASP A 93 5.436 0.382 -7.601 1.00 0.33 N ATOM 1449 CA ASP A 93 6.786 0.041 -8.047 1.00 0.36 C ATOM 1450 C ASP A 93 7.654 -0.456 -6.900 1.00 0.32 C ATOM 1451 O ASP A 93 7.452 -0.085 -5.743 1.00 0.56 O ATOM 1452 CB ASP A 93 7.447 1.247 -8.711 1.00 0.45 C ATOM 1453 CG ASP A 93 7.083 1.367 -10.178 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.013 1.937 -10.479 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.868 0.890 -11.024 1.00 1.63 O ATOM 0 H ASP A 93 5.030 1.178 -8.092 1.00 0.33 H new ATOM 0 HA ASP A 93 6.693 -0.768 -8.772 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.148 2.156 -8.189 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.529 1.165 -8.613 1.00 0.45 H new ATOM 1460 N ALA A 94 8.612 -1.306 -7.230 1.00 0.33 N ATOM 1461 CA ALA A 94 9.505 -1.865 -6.233 1.00 0.28 C ATOM 1462 C ALA A 94 10.678 -0.927 -5.952 1.00 0.29 C ATOM 1463 O ALA A 94 11.444 -0.591 -6.856 1.00 0.41 O ATOM 1464 CB ALA A 94 10.015 -3.221 -6.693 1.00 0.34 C ATOM 0 H ALA A 94 8.790 -1.624 -8.183 1.00 0.33 H new ATOM 0 HA ALA A 94 8.944 -1.988 -5.306 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.685 -3.633 -5.938 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.172 -3.897 -6.838 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.554 -3.107 -7.633 1.00 0.34 H new ATOM 1470 N ILE A 95 10.816 -0.512 -4.697 1.00 0.25 N ATOM 1471 CA ILE A 95 11.898 0.384 -4.302 1.00 0.28 C ATOM 1472 C ILE A 95 12.999 -0.373 -3.565 1.00 0.26 C ATOM 1473 O ILE A 95 12.794 -0.859 -2.452 1.00 0.25 O ATOM 1474 CB ILE A 95 11.375 1.520 -3.406 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.225 2.245 -4.105 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.497 2.489 -3.066 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.860 1.691 -3.759 1.00 0.44 C ATOM 0 H ILE A 95 10.193 -0.781 -3.936 1.00 0.25 H new ATOM 0 HA ILE A 95 12.312 0.811 -5.215 1.00 0.28 H new ATOM 0 HB ILE A 95 11.003 1.094 -2.474 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.257 3.301 -3.839 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.370 2.184 -5.184 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.109 3.286 -2.432 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.289 1.958 -2.538 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.898 2.918 -3.984 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.093 2.254 -4.291 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.808 0.642 -4.051 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.694 1.777 -2.685 1.00 0.44 H new ATOM 1489 N THR A 96 14.167 -0.475 -4.198 1.00 0.29 N ATOM 1490 CA THR A 96 15.312 -1.182 -3.616 1.00 0.32 C ATOM 1491 C THR A 96 15.488 -0.861 -2.133 1.00 0.32 C ATOM 1492 O THR A 96 15.907 -1.717 -1.354 1.00 0.38 O ATOM 1493 CB THR A 96 16.593 -0.829 -4.373 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.465 -1.140 -5.749 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.814 -1.558 -3.852 1.00 0.43 C ATOM 0 H THR A 96 14.348 -0.075 -5.119 1.00 0.29 H new ATOM 0 HA THR A 96 15.113 -2.250 -3.707 1.00 0.32 H new ATOM 0 HB THR A 96 16.733 0.241 -4.221 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.294 -0.905 -6.216 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.689 -1.263 -4.432 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.970 -1.303 -2.804 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.663 -2.633 -3.945 1.00 0.43 H new ATOM 1503 N CYS A 97 15.171 0.370 -1.746 1.00 0.32 N ATOM 1504 CA CYS A 97 15.306 0.784 -0.353 1.00 0.36 C ATOM 1505 C CYS A 97 16.703 0.456 0.172 1.00 0.43 C ATOM 1506 O CYS A 97 16.905 -0.566 0.824 1.00 0.64 O ATOM 1507 CB CYS A 97 14.249 0.088 0.509 1.00 0.38 C ATOM 1508 SG CYS A 97 12.550 0.581 0.138 1.00 1.10 S ATOM 0 H CYS A 97 14.821 1.095 -2.372 1.00 0.32 H new ATOM 0 HA CYS A 97 15.157 1.862 -0.299 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.340 -0.990 0.376 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.456 0.298 1.558 1.00 0.38 H new ATOM 0 HG CYS A 97 12.194 0.082 -1.008 1.00 1.10 H new ATOM 1514 N ARG A 98 17.662 1.331 -0.121 1.00 0.53 N ATOM 1515 CA ARG A 98 19.044 1.137 0.314 1.00 0.63 C ATOM 1516 C ARG A 98 19.546 2.355 1.074 1.00 0.80 C ATOM 1517 O ARG A 98 19.542 2.383 2.305 1.00 1.04 O ATOM 1518 CB ARG A 98 19.956 0.859 -0.889 1.00 0.68 C ATOM 1519 CG ARG A 98 19.458 1.459 -2.200 1.00 0.74 C ATOM 1520 CD ARG A 98 20.609 1.837 -3.121 1.00 0.92 C ATOM 1521 NE ARG A 98 21.601 0.768 -3.223 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.576 0.749 -4.124 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.696 1.739 -4.997 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.436 -0.261 -4.153 1.00 2.68 N ATOM 0 H ARG A 98 17.507 2.184 -0.659 1.00 0.53 H new ATOM 0 HA ARG A 98 19.068 0.275 0.980 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.950 1.252 -0.676 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.059 -0.219 -1.011 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.809 0.743 -2.704 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.855 2.343 -1.990 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.220 2.066 -4.113 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.088 2.743 -2.750 1.00 0.92 H new ATOM 0 HE ARG A 98 21.541 -0.008 -2.564 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.038 2.518 -4.978 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.446 1.722 -5.688 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.349 -1.025 -3.482 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.184 -0.274 -4.846 1.00 2.68 H new ATOM 1538 N ASP A 99 19.968 3.360 0.331 1.00 0.92 N ATOM 1539 CA ASP A 99 20.468 4.594 0.919 1.00 1.20 C ATOM 1540 C ASP A 99 19.601 5.788 0.521 1.00 1.03 C ATOM 1541 O ASP A 99 19.737 6.878 1.078 1.00 1.20 O ATOM 1542 CB ASP A 99 21.916 4.831 0.496 1.00 1.61 C ATOM 1543 CG ASP A 99 22.079 4.873 -1.010 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.664 5.879 -1.624 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.620 3.901 -1.578 1.00 2.14 O ATOM 0 H ASP A 99 19.975 3.348 -0.689 1.00 0.92 H new ATOM 0 HA ASP A 99 20.425 4.492 2.003 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.267 5.770 0.923 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.545 4.040 0.905 1.00 1.61 H new ATOM 1550 N ASP A 100 18.710 5.581 -0.448 1.00 0.85 N ATOM 1551 CA ASP A 100 17.825 6.637 -0.920 1.00 0.92 C ATOM 1552 C ASP A 100 18.608 7.844 -1.439 1.00 1.22 C ATOM 1553 O ASP A 100 18.052 8.930 -1.601 1.00 1.38 O ATOM 1554 CB ASP A 100 16.873 7.064 0.198 1.00 0.87 C ATOM 1555 CG ASP A 100 15.633 7.761 -0.328 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.150 7.373 -1.413 1.00 2.06 O ATOM 1557 OD2 ASP A 100 15.145 8.694 0.344 1.00 2.03 O ATOM 0 H ASP A 100 18.584 4.686 -0.921 1.00 0.85 H new ATOM 0 HA ASP A 100 17.247 6.237 -1.753 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.576 6.187 0.773 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.398 7.731 0.882 1.00 0.87 H new ATOM 1562 N VAL A 101 19.897 7.646 -1.707 1.00 1.43 N ATOM 1563 CA VAL A 101 20.746 8.715 -2.214 1.00 1.90 C ATOM 1564 C VAL A 101 21.645 8.215 -3.354 1.00 2.23 C ATOM 1565 O VAL A 101 22.512 8.941 -3.841 1.00 2.80 O ATOM 1566 CB VAL A 101 21.607 9.317 -1.081 1.00 2.20 C ATOM 1567 CG1 VAL A 101 22.586 10.351 -1.618 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.708 9.935 -0.020 1.00 2.22 C ATOM 0 H VAL A 101 20.374 6.753 -1.580 1.00 1.43 H new ATOM 0 HA VAL A 101 20.095 9.495 -2.609 1.00 1.90 H new ATOM 0 HB VAL A 101 22.190 8.513 -0.632 1.00 2.20 H new ATOM 0 HG11 VAL A 101 23.176 10.755 -0.795 1.00 2.67 H new ATOM 0 HG12 VAL A 101 23.249 9.881 -2.344 1.00 2.67 H new ATOM 0 HG13 VAL A 101 22.035 11.159 -2.100 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.322 10.357 0.776 1.00 2.22 H new ATOM 0 HG22 VAL A 101 20.103 10.723 -0.469 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.054 9.168 0.395 1.00 2.22 H new ATOM 1578 N GLU A 102 21.424 6.976 -3.794 1.00 1.99 N ATOM 1579 CA GLU A 102 22.210 6.405 -4.880 1.00 2.40 C ATOM 1580 C GLU A 102 21.307 5.884 -5.999 1.00 2.00 C ATOM 1581 O GLU A 102 21.793 5.370 -7.006 1.00 2.49 O ATOM 1582 CB GLU A 102 23.104 5.281 -4.357 1.00 3.22 C ATOM 1583 CG GLU A 102 23.657 5.546 -2.966 1.00 3.87 C ATOM 1584 CD GLU A 102 24.941 4.788 -2.691 1.00 4.18 C ATOM 1585 OE1 GLU A 102 25.052 3.627 -3.137 1.00 4.47 O ATOM 1586 OE2 GLU A 102 25.836 5.357 -2.032 1.00 4.58 O ATOM 0 H GLU A 102 20.710 6.354 -3.415 1.00 1.99 H new ATOM 0 HA GLU A 102 22.839 7.195 -5.291 1.00 2.40 H new ATOM 0 HB2 GLU A 102 22.535 4.351 -4.343 1.00 3.22 H new ATOM 0 HB3 GLU A 102 23.934 5.136 -5.048 1.00 3.22 H new ATOM 0 HG2 GLU A 102 23.839 6.614 -2.850 1.00 3.87 H new ATOM 0 HG3 GLU A 102 22.909 5.267 -2.223 1.00 3.87 H new ATOM 1593 N ALA A 103 19.992 6.019 -5.822 1.00 1.84 N ATOM 1594 CA ALA A 103 19.040 5.564 -6.825 1.00 2.56 C ATOM 1595 C ALA A 103 17.645 6.115 -6.549 1.00 3.21 C ATOM 1596 O ALA A 103 17.519 6.980 -5.656 1.00 3.72 O ATOM 1597 CB ALA A 103 19.010 4.045 -6.873 1.00 3.26 C ATOM 1598 OXT ALA A 103 16.692 5.681 -7.228 1.00 3.79 O ATOM 0 H ALA A 103 19.567 6.439 -4.995 1.00 1.84 H new ATOM 0 HA ALA A 103 19.365 5.941 -7.795 1.00 2.56 H new ATOM 0 HB1 ALA A 103 18.294 3.719 -7.627 1.00 3.26 H new ATOM 0 HB2 ALA A 103 20.001 3.669 -7.127 1.00 3.26 H new ATOM 0 HB3 ALA A 103 18.713 3.656 -5.899 1.00 3.26 H new TER 1604 ALA A 103