USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1100 hydrogens (3 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 140 ASN : amide:sc= -0.983 K(o=-0.98,f=-1.8) USER MOD Set 1.2: A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 MET CE :methyl -126:sc= -1.54 (180deg=-3.45!) USER MOD Set 2.2: A 139 CYS SG : rot -98:sc= 0.0484 USER MOD Set 3.1: A 94 LYS NZ :NH3+ -179:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 99 TYR OH : rot 58:sc= 1.33 USER MOD Set 4.1: A 75 THR OG1 : rot -82:sc= 0.937 USER MOD Set 4.2: A 77 CYS SG : rot 118:sc= 0.963 USER MOD Set 5.1: A 51 TYR OH : rot -152:sc= -0.242 USER MOD Set 5.2: A 67 ASN : amide:sc= -2.46! C(o=-2.7!,f=-2.4!) USER MOD Set 6.1: A 46 ASN : amide:sc= 1.87 K(o=3.1,f=-5) USER MOD Set 6.2: A 49 LYS NZ :NH3+ -119:sc= 1.23 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 24:sc= 0.211 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -135:sc= 1.8 (180deg=-0.27!) USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.605 USER MOD Single : A 34 GLN : amide:sc= -0.925 K(o=-0.93,f=-3.3!) USER MOD Single : A 36 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= -1.08! (180deg=-4.91!) USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= 0.822 (180deg=-0.121) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.426 USER MOD Single : A 52 SER OG : rot 69:sc= 1.06 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.236 F(o=-1.5,f=-0.24) USER MOD Single : A 58 ASN : amide:sc= -2.81 K(o=-2.8,f=-6.6) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0517 USER MOD Single : A 61 ASN : amide:sc= -0.259 K(o=-0.26,f=-5.1!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 50:sc= -0.242 USER MOD Single : A 69 SER OG : rot 101:sc= 0.662 USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 1.14 K(o=1.1,f=-0.062) USER MOD Single : A 86 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= -0.0303 (180deg=-0.321) USER MOD Single : A 95 TYR OH : rot -108:sc= 0.315 USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= 1.49 (180deg=0.625) USER MOD Single : A 100 TYR OH : rot 23:sc= -0.661 USER MOD Single : A 105 SER OG : rot 63:sc= -0.218 USER MOD Single : A 106 ASN : amide:sc= 0.0872 K(o=0.087,f=-2.9!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 124 LYS NZ :NH3+ -151:sc= 0.0762 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.08) USER MOD Single : A 128 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.0037) USER MOD Single : A 130 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.154) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -160:sc= -0.251 (180deg=-0.998) USER MOD Single : A 135 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.472) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.5) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 172:sc=-0.00154 (180deg=-0.0822) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -20.064 -14.829 12.148 1.00 1.33 N ATOM 2 CA THR A 17 -20.512 -14.591 10.786 1.00 1.20 C ATOM 3 C THR A 17 -19.489 -15.124 9.782 1.00 1.09 C ATOM 4 O THR A 17 -18.282 -15.102 10.037 1.00 1.11 O ATOM 5 CB THR A 17 -20.728 -13.080 10.539 1.00 1.41 C ATOM 6 OG1 THR A 17 -21.520 -12.528 11.601 1.00 2.22 O ATOM 7 CG2 THR A 17 -21.423 -12.815 9.203 1.00 0.92 C ATOM 0 HA THR A 17 -21.458 -15.116 10.650 1.00 1.20 H new ATOM 0 HB THR A 17 -19.747 -12.605 10.510 1.00 1.41 H new ATOM 0 HG1 THR A 17 -21.434 -13.090 12.399 1.00 2.22 H new ATOM 0 HG21 THR A 17 -21.556 -11.741 9.069 1.00 0.92 H new ATOM 0 HG22 THR A 17 -20.813 -13.210 8.391 1.00 0.92 H new ATOM 0 HG23 THR A 17 -22.397 -13.305 9.196 1.00 0.92 H new ATOM 15 N ASP A 18 -19.986 -15.621 8.656 1.00 1.03 N ATOM 16 CA ASP A 18 -19.136 -15.999 7.529 1.00 0.95 C ATOM 17 C ASP A 18 -18.586 -14.724 6.892 1.00 0.84 C ATOM 18 O ASP A 18 -18.848 -13.629 7.400 1.00 0.84 O ATOM 19 CB ASP A 18 -19.957 -16.784 6.491 1.00 0.95 C ATOM 20 CG ASP A 18 -20.576 -18.050 7.045 1.00 1.08 C ATOM 21 OD1 ASP A 18 -21.677 -17.971 7.633 1.00 1.16 O ATOM 22 OD2 ASP A 18 -19.977 -19.135 6.886 1.00 1.18 O ATOM 0 H ASP A 18 -20.982 -15.773 8.497 1.00 1.03 H new ATOM 0 HA ASP A 18 -18.318 -16.630 7.876 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -20.748 -16.142 6.103 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -19.314 -17.041 5.649 1.00 0.95 H new ATOM 27 N PRO A 19 -17.794 -14.810 5.808 1.00 0.78 N ATOM 28 CA PRO A 19 -17.507 -13.636 5.006 1.00 0.70 C ATOM 29 C PRO A 19 -18.807 -12.970 4.612 1.00 0.65 C ATOM 30 O PRO A 19 -19.762 -13.662 4.241 1.00 0.70 O ATOM 31 CB PRO A 19 -16.801 -14.170 3.753 1.00 0.71 C ATOM 32 CG PRO A 19 -16.805 -15.661 3.868 1.00 0.75 C ATOM 33 CD PRO A 19 -17.106 -16.003 5.302 1.00 0.84 C ATOM 0 HA PRO A 19 -16.899 -12.906 5.540 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.319 -13.849 2.849 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.782 -13.788 3.689 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.554 -16.095 3.205 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.840 -16.071 3.570 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.735 -16.890 5.378 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -16.195 -16.208 5.864 1.00 0.84 H new ATOM 41 N PRO A 20 -18.893 -11.641 4.720 1.00 0.58 N ATOM 42 CA PRO A 20 -20.089 -10.923 4.316 1.00 0.54 C ATOM 43 C PRO A 20 -20.484 -11.305 2.899 1.00 0.55 C ATOM 44 O PRO A 20 -19.650 -11.748 2.106 1.00 0.58 O ATOM 45 CB PRO A 20 -19.690 -9.453 4.408 1.00 0.49 C ATOM 46 CG PRO A 20 -18.554 -9.425 5.377 1.00 0.50 C ATOM 47 CD PRO A 20 -17.847 -10.747 5.240 1.00 0.56 C ATOM 0 HA PRO A 20 -20.954 -11.151 4.939 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.390 -9.063 3.435 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.521 -8.839 4.755 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.878 -8.598 5.159 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.915 -9.281 6.395 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.000 -10.681 4.558 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.459 -11.096 6.197 1.00 0.56 H new ATOM 55 N ALA A 21 -21.753 -11.177 2.594 1.00 0.56 N ATOM 56 CA ALA A 21 -22.267 -11.641 1.326 1.00 0.63 C ATOM 57 C ALA A 21 -21.709 -10.842 0.146 1.00 0.60 C ATOM 58 O ALA A 21 -21.056 -9.818 0.326 1.00 0.60 O ATOM 59 CB ALA A 21 -23.787 -11.591 1.344 1.00 0.72 C ATOM 0 H ALA A 21 -22.450 -10.755 3.207 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.939 -12.671 1.187 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.174 -11.941 0.387 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.163 -12.230 2.143 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.115 -10.566 1.515 1.00 0.72 H new ATOM 65 N ASP A 22 -22.012 -11.347 -1.042 1.00 0.64 N ATOM 66 CA ASP A 22 -21.727 -10.715 -2.335 1.00 0.70 C ATOM 67 C ASP A 22 -21.960 -9.211 -2.293 1.00 0.67 C ATOM 68 O ASP A 22 -21.036 -8.488 -1.969 1.00 1.01 O ATOM 69 CB ASP A 22 -22.545 -11.379 -3.451 1.00 1.01 C ATOM 70 CG ASP A 22 -22.325 -10.747 -4.814 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.197 -10.813 -5.338 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.296 -10.186 -5.368 1.00 2.34 O ATOM 0 H ASP A 22 -22.483 -12.246 -1.142 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.670 -10.864 -2.553 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -22.285 -12.436 -3.502 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -23.604 -11.323 -3.199 1.00 1.01 H new ATOM 77 N GLY A 23 -23.102 -8.747 -2.798 1.00 0.72 N ATOM 78 CA GLY A 23 -23.459 -7.324 -2.773 1.00 0.69 C ATOM 79 C GLY A 23 -22.760 -6.486 -1.695 1.00 0.61 C ATOM 80 O GLY A 23 -22.303 -5.387 -1.989 1.00 0.60 O ATOM 0 H GLY A 23 -23.806 -9.342 -3.235 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.231 -6.893 -3.748 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.537 -7.240 -2.632 1.00 0.69 H new ATOM 84 N ALA A 24 -22.670 -6.992 -0.460 1.00 0.59 N ATOM 85 CA ALA A 24 -21.928 -6.300 0.603 1.00 0.55 C ATOM 86 C ALA A 24 -20.425 -6.255 0.289 1.00 0.48 C ATOM 87 O ALA A 24 -19.818 -5.182 0.251 1.00 0.44 O ATOM 88 CB ALA A 24 -22.166 -6.974 1.951 1.00 0.56 C ATOM 0 H ALA A 24 -23.098 -7.872 -0.172 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.296 -5.275 0.654 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.608 -6.447 2.725 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.229 -6.947 2.188 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.831 -8.010 1.904 1.00 0.56 H new ATOM 94 N LEU A 25 -19.840 -7.426 0.057 1.00 0.49 N ATOM 95 CA LEU A 25 -18.425 -7.552 -0.292 1.00 0.48 C ATOM 96 C LEU A 25 -18.087 -6.782 -1.554 1.00 0.51 C ATOM 97 O LEU A 25 -17.127 -6.012 -1.583 1.00 0.53 O ATOM 98 CB LEU A 25 -18.041 -9.025 -0.487 1.00 0.47 C ATOM 99 CG LEU A 25 -17.866 -9.826 0.798 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.727 -10.823 0.661 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.617 -8.895 1.964 1.00 0.49 C ATOM 0 H LEU A 25 -20.333 -8.318 0.105 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.856 -7.131 0.537 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.807 -9.506 -1.095 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.111 -9.069 -1.053 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.784 -10.383 0.985 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.620 -11.383 1.590 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.943 -11.512 -0.156 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.800 -10.290 0.451 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.494 -9.479 2.876 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.713 -8.315 1.780 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.465 -8.219 2.078 1.00 0.49 H new ATOM 113 N LYS A 26 -18.885 -6.979 -2.589 1.00 0.55 N ATOM 114 CA LYS A 26 -18.639 -6.334 -3.865 1.00 0.59 C ATOM 115 C LYS A 26 -18.873 -4.831 -3.745 1.00 0.52 C ATOM 116 O LYS A 26 -18.379 -4.052 -4.553 1.00 0.53 O ATOM 117 CB LYS A 26 -19.547 -6.915 -4.946 1.00 0.68 C ATOM 118 CG LYS A 26 -20.909 -6.261 -4.975 1.00 0.73 C ATOM 119 CD LYS A 26 -21.821 -6.888 -6.004 1.00 0.82 C ATOM 120 CE LYS A 26 -22.650 -5.827 -6.705 1.00 0.93 C ATOM 121 NZ LYS A 26 -21.879 -5.149 -7.782 1.00 1.53 N ATOM 0 H LYS A 26 -19.709 -7.581 -2.570 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.602 -6.515 -4.148 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.070 -6.795 -5.919 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.666 -7.986 -4.779 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.368 -6.338 -3.990 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.796 -5.199 -5.191 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.228 -7.436 -6.736 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.479 -7.611 -5.522 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.543 -6.285 -7.130 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -22.986 -5.088 -5.977 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -22.477 -4.431 -8.238 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -21.040 -4.691 -7.373 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -21.580 -5.850 -8.489 1.00 1.53 H new ATOM 135 N ARG A 27 -19.641 -4.427 -2.739 1.00 0.49 N ATOM 136 CA ARG A 27 -19.851 -3.015 -2.470 1.00 0.45 C ATOM 137 C ARG A 27 -18.605 -2.435 -1.841 1.00 0.39 C ATOM 138 O ARG A 27 -18.206 -1.316 -2.145 1.00 0.37 O ATOM 139 CB ARG A 27 -21.042 -2.799 -1.547 1.00 0.49 C ATOM 140 CG ARG A 27 -21.274 -1.342 -1.191 1.00 0.45 C ATOM 141 CD ARG A 27 -21.457 -0.496 -2.437 1.00 0.51 C ATOM 142 NE ARG A 27 -22.025 0.814 -2.132 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.002 1.858 -2.958 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.394 1.768 -4.138 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.577 2.996 -2.595 1.00 2.11 N ATOM 0 H ARG A 27 -20.126 -5.057 -2.100 1.00 0.49 H new ATOM 0 HA ARG A 27 -20.061 -2.512 -3.414 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.938 -3.196 -2.024 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.890 -3.369 -0.631 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.156 -1.256 -0.557 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.429 -0.967 -0.614 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.494 -0.367 -2.932 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -22.108 -1.019 -3.138 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.470 0.938 -1.223 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -20.942 0.896 -4.414 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -21.380 2.571 -4.767 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -23.034 3.069 -1.686 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.562 3.798 -3.224 1.00 2.11 H new ATOM 159 N ALA A 28 -17.991 -3.206 -0.962 1.00 0.39 N ATOM 160 CA ALA A 28 -16.719 -2.816 -0.396 1.00 0.37 C ATOM 161 C ALA A 28 -15.694 -2.744 -1.513 1.00 0.37 C ATOM 162 O ALA A 28 -14.827 -1.871 -1.544 1.00 0.36 O ATOM 163 CB ALA A 28 -16.281 -3.811 0.671 1.00 0.42 C ATOM 0 H ALA A 28 -18.352 -4.100 -0.628 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.812 -1.840 0.080 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.322 -3.501 1.086 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.026 -3.844 1.466 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.181 -4.801 0.226 1.00 0.42 H new ATOM 169 N GLU A 29 -15.833 -3.674 -2.444 1.00 0.43 N ATOM 170 CA GLU A 29 -15.003 -3.719 -3.630 1.00 0.47 C ATOM 171 C GLU A 29 -15.323 -2.530 -4.539 1.00 0.45 C ATOM 172 O GLU A 29 -14.460 -2.029 -5.265 1.00 0.48 O ATOM 173 CB GLU A 29 -15.238 -5.044 -4.356 1.00 0.55 C ATOM 174 CG GLU A 29 -14.149 -5.393 -5.348 1.00 0.84 C ATOM 175 CD GLU A 29 -14.293 -6.794 -5.899 1.00 1.52 C ATOM 176 OE1 GLU A 29 -15.283 -7.056 -6.616 1.00 2.41 O ATOM 177 OE2 GLU A 29 -13.429 -7.647 -5.606 1.00 1.83 O ATOM 0 H GLU A 29 -16.527 -4.420 -2.395 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.952 -3.653 -3.349 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.317 -5.843 -3.619 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -16.193 -4.998 -4.879 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.170 -4.679 -6.171 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.177 -5.294 -4.865 1.00 0.84 H new ATOM 184 N GLU A 30 -16.567 -2.066 -4.474 1.00 0.43 N ATOM 185 CA GLU A 30 -16.979 -0.876 -5.198 1.00 0.44 C ATOM 186 C GLU A 30 -16.310 0.334 -4.615 1.00 0.41 C ATOM 187 O GLU A 30 -15.817 1.179 -5.336 1.00 0.48 O ATOM 188 CB GLU A 30 -18.485 -0.661 -5.125 1.00 0.47 C ATOM 189 CG GLU A 30 -19.271 -1.389 -6.181 1.00 0.64 C ATOM 190 CD GLU A 30 -18.718 -1.197 -7.575 1.00 1.23 C ATOM 191 OE1 GLU A 30 -17.720 -1.851 -7.921 1.00 1.72 O ATOM 192 OE2 GLU A 30 -19.291 -0.384 -8.333 1.00 1.52 O ATOM 0 H GLU A 30 -17.308 -2.501 -3.924 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.690 -1.019 -6.239 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.838 -0.979 -4.144 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.691 0.406 -5.207 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.284 -2.453 -5.946 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.305 -1.045 -6.157 1.00 0.64 H new ATOM 199 N LEU A 31 -16.308 0.407 -3.300 1.00 0.36 N ATOM 200 CA LEU A 31 -15.720 1.529 -2.596 1.00 0.36 C ATOM 201 C LEU A 31 -14.225 1.595 -2.858 1.00 0.37 C ATOM 202 O LEU A 31 -13.642 2.671 -2.877 1.00 0.41 O ATOM 203 CB LEU A 31 -16.004 1.405 -1.110 1.00 0.35 C ATOM 204 CG LEU A 31 -17.484 1.298 -0.757 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.652 0.976 0.712 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.218 2.580 -1.089 1.00 0.42 C ATOM 0 H LEU A 31 -16.711 -0.305 -2.691 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.166 2.454 -2.961 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.487 0.525 -0.726 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.583 2.271 -0.599 1.00 0.35 H new ATOM 0 HG LEU A 31 -17.913 0.492 -1.352 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.713 0.903 0.949 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.164 0.027 0.935 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.200 1.766 1.312 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.271 2.475 -0.827 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.784 3.405 -0.524 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.128 2.785 -2.156 1.00 0.42 H new ATOM 218 N LYS A 32 -13.611 0.440 -3.081 1.00 0.37 N ATOM 219 CA LYS A 32 -12.213 0.387 -3.465 1.00 0.41 C ATOM 220 C LYS A 32 -12.048 1.012 -4.847 1.00 0.43 C ATOM 221 O LYS A 32 -11.101 1.750 -5.107 1.00 0.47 O ATOM 222 CB LYS A 32 -11.736 -1.064 -3.494 1.00 0.44 C ATOM 223 CG LYS A 32 -10.229 -1.218 -3.568 1.00 0.76 C ATOM 224 CD LYS A 32 -9.854 -2.493 -4.298 1.00 0.70 C ATOM 225 CE LYS A 32 -9.872 -2.283 -5.802 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.702 -1.479 -6.251 1.00 1.15 N ATOM 0 H LYS A 32 -14.062 -0.471 -3.002 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.616 0.940 -2.740 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.099 -1.573 -2.601 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.184 -1.566 -4.351 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.796 -0.359 -4.081 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.810 -1.233 -2.562 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.862 -2.818 -3.984 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.550 -3.288 -4.030 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -9.867 -3.249 -6.306 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -10.794 -1.778 -6.090 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -9.018 -0.753 -6.925 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.261 -1.019 -5.429 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.009 -2.102 -6.713 1.00 1.15 H new ATOM 240 N THR A 33 -13.001 0.714 -5.721 1.00 0.43 N ATOM 241 CA THR A 33 -13.020 1.256 -7.068 1.00 0.47 C ATOM 242 C THR A 33 -13.304 2.757 -7.024 1.00 0.47 C ATOM 243 O THR A 33 -12.574 3.557 -7.611 1.00 0.52 O ATOM 244 CB THR A 33 -14.090 0.535 -7.916 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.840 -0.880 -7.913 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.106 1.046 -9.348 1.00 0.57 C ATOM 0 H THR A 33 -13.781 0.090 -5.513 1.00 0.43 H new ATOM 0 HA THR A 33 -12.044 1.096 -7.527 1.00 0.47 H new ATOM 0 HB THR A 33 -15.064 0.742 -7.472 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.048 -1.247 -7.029 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.871 0.516 -9.915 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.326 2.113 -9.351 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.132 0.876 -9.806 1.00 0.57 H new ATOM 254 N GLN A 34 -14.365 3.125 -6.312 1.00 0.44 N ATOM 255 CA GLN A 34 -14.710 4.523 -6.083 1.00 0.46 C ATOM 256 C GLN A 34 -13.547 5.306 -5.502 1.00 0.46 C ATOM 257 O GLN A 34 -13.245 6.403 -5.951 1.00 0.51 O ATOM 258 CB GLN A 34 -15.895 4.628 -5.132 1.00 0.48 C ATOM 259 CG GLN A 34 -17.143 3.979 -5.669 1.00 0.50 C ATOM 260 CD GLN A 34 -18.393 4.458 -4.964 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.847 3.859 -3.989 1.00 1.50 O ATOM 262 NE2 GLN A 34 -18.948 5.558 -5.444 1.00 1.31 N ATOM 0 H GLN A 34 -15.009 2.463 -5.878 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.967 4.950 -7.053 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.632 4.165 -4.181 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.098 5.679 -4.929 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.228 4.189 -6.735 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.061 2.897 -5.562 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -18.539 6.024 -6.254 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.785 5.941 -5.004 1.00 1.31 H new ATOM 271 N ALA A 35 -12.898 4.746 -4.499 1.00 0.43 N ATOM 272 CA ALA A 35 -11.803 5.431 -3.843 1.00 0.44 C ATOM 273 C ALA A 35 -10.607 5.578 -4.770 1.00 0.48 C ATOM 274 O ALA A 35 -9.875 6.555 -4.682 1.00 0.50 O ATOM 275 CB ALA A 35 -11.414 4.712 -2.577 1.00 0.42 C ATOM 0 H ALA A 35 -13.110 3.822 -4.122 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.142 6.433 -3.582 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.590 5.240 -2.097 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.268 4.680 -1.900 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.103 3.695 -2.817 1.00 0.42 H new ATOM 281 N ASN A 36 -10.416 4.620 -5.667 1.00 0.53 N ATOM 282 CA ASN A 36 -9.375 4.740 -6.680 1.00 0.61 C ATOM 283 C ASN A 36 -9.782 5.812 -7.683 1.00 0.63 C ATOM 284 O ASN A 36 -8.947 6.526 -8.241 1.00 0.67 O ATOM 285 CB ASN A 36 -9.144 3.411 -7.399 1.00 0.69 C ATOM 286 CG ASN A 36 -7.976 3.486 -8.361 1.00 1.28 C ATOM 287 OD1 ASN A 36 -6.996 4.183 -8.112 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.074 2.780 -9.473 1.00 2.01 N ATOM 0 H ASN A 36 -10.962 3.760 -5.715 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.441 5.019 -6.192 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -8.959 2.628 -6.664 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.046 3.131 -7.944 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -7.320 2.802 -10.159 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -8.904 2.212 -9.645 1.00 2.01 H new ATOM 295 N ASP A 37 -11.088 5.927 -7.885 1.00 0.63 N ATOM 296 CA ASP A 37 -11.655 6.978 -8.720 1.00 0.68 C ATOM 297 C ASP A 37 -11.365 8.332 -8.099 1.00 0.65 C ATOM 298 O ASP A 37 -11.067 9.296 -8.798 1.00 0.68 O ATOM 299 CB ASP A 37 -13.169 6.785 -8.884 1.00 0.73 C ATOM 300 CG ASP A 37 -13.815 7.897 -9.687 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.404 8.114 -10.845 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.740 8.554 -9.168 1.00 1.04 O ATOM 0 H ASP A 37 -11.781 5.299 -7.478 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.197 6.927 -9.708 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.359 5.830 -9.374 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.634 6.736 -7.899 1.00 0.73 H new ATOM 307 N TYR A 38 -11.444 8.387 -6.777 1.00 0.60 N ATOM 308 CA TYR A 38 -11.103 9.589 -6.040 1.00 0.58 C ATOM 309 C TYR A 38 -9.593 9.786 -5.995 1.00 0.57 C ATOM 310 O TYR A 38 -9.109 10.913 -6.068 1.00 0.57 O ATOM 311 CB TYR A 38 -11.687 9.538 -4.629 1.00 0.54 C ATOM 312 CG TYR A 38 -13.165 9.868 -4.583 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.594 11.183 -4.459 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.126 8.873 -4.676 1.00 0.63 C ATOM 315 CE1 TYR A 38 -14.942 11.493 -4.425 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.473 9.175 -4.649 1.00 0.67 C ATOM 317 CZ TYR A 38 -15.876 10.486 -4.521 1.00 0.65 C ATOM 318 OH TYR A 38 -17.217 10.790 -4.494 1.00 0.71 O ATOM 0 H TYR A 38 -11.743 7.606 -6.193 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.539 10.443 -6.559 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.530 8.542 -4.214 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.145 10.238 -3.993 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -12.864 11.976 -4.388 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -13.815 7.843 -4.771 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.260 12.520 -4.324 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.207 8.387 -4.728 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.741 9.966 -4.573 1.00 0.71 H new ATOM 328 N PHE A 39 -8.852 8.689 -5.904 1.00 0.57 N ATOM 329 CA PHE A 39 -7.404 8.738 -5.923 1.00 0.57 C ATOM 330 C PHE A 39 -6.924 9.404 -7.203 1.00 0.63 C ATOM 331 O PHE A 39 -6.129 10.345 -7.167 1.00 0.67 O ATOM 332 CB PHE A 39 -6.825 7.323 -5.807 1.00 0.58 C ATOM 333 CG PHE A 39 -5.353 7.254 -6.081 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.441 7.703 -5.146 1.00 0.55 C ATOM 335 CD2 PHE A 39 -4.884 6.746 -7.280 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.087 7.652 -5.402 1.00 0.59 C ATOM 337 CE2 PHE A 39 -3.533 6.688 -7.541 1.00 0.73 C ATOM 338 CZ PHE A 39 -2.629 7.143 -6.601 1.00 0.65 C ATOM 0 H PHE A 39 -9.238 7.749 -5.816 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.058 9.324 -5.072 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.018 6.941 -4.804 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.347 6.667 -6.504 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -4.792 8.098 -4.204 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -5.586 6.391 -8.020 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.384 8.010 -4.664 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.181 6.287 -8.480 1.00 0.73 H new ATOM 0 HZ PHE A 39 -1.569 7.101 -6.803 1.00 0.65 H new ATOM 348 N LYS A 40 -7.433 8.937 -8.335 1.00 0.66 N ATOM 349 CA LYS A 40 -7.059 9.512 -9.611 1.00 0.74 C ATOM 350 C LYS A 40 -7.739 10.864 -9.809 1.00 0.73 C ATOM 351 O LYS A 40 -7.287 11.681 -10.604 1.00 0.79 O ATOM 352 CB LYS A 40 -7.364 8.552 -10.768 1.00 0.82 C ATOM 353 CG LYS A 40 -8.835 8.372 -11.104 1.00 1.18 C ATOM 354 CD LYS A 40 -8.989 7.388 -12.253 1.00 1.09 C ATOM 355 CE LYS A 40 -10.394 7.372 -12.834 1.00 1.56 C ATOM 356 NZ LYS A 40 -11.375 6.723 -11.931 1.00 2.26 N ATOM 0 H LYS A 40 -8.100 8.168 -8.392 1.00 0.66 H new ATOM 0 HA LYS A 40 -5.981 9.675 -9.607 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -6.848 8.910 -11.659 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -6.943 7.576 -10.527 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.375 8.010 -10.229 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -9.275 9.332 -11.375 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -8.279 7.642 -13.040 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -8.734 6.387 -11.904 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.712 8.395 -13.035 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -10.383 6.848 -13.790 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -12.120 6.268 -12.497 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -10.893 6.006 -11.353 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -11.801 7.439 -11.309 1.00 2.26 H new ATOM 370 N ALA A 41 -8.811 11.106 -9.053 1.00 0.68 N ATOM 371 CA ALA A 41 -9.472 12.410 -9.056 1.00 0.70 C ATOM 372 C ALA A 41 -8.714 13.391 -8.172 1.00 0.71 C ATOM 373 O ALA A 41 -9.090 14.561 -8.058 1.00 0.78 O ATOM 374 CB ALA A 41 -10.907 12.302 -8.577 1.00 0.68 C ATOM 0 H ALA A 41 -9.238 10.418 -8.433 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.476 12.775 -10.083 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.370 13.288 -8.591 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.461 11.632 -9.234 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.923 11.908 -7.561 1.00 0.68 H new ATOM 380 N LYS A 42 -7.672 12.874 -7.517 1.00 0.68 N ATOM 381 CA LYS A 42 -6.749 13.668 -6.706 1.00 0.70 C ATOM 382 C LYS A 42 -7.348 13.989 -5.335 1.00 0.66 C ATOM 383 O LYS A 42 -6.887 14.896 -4.642 1.00 0.70 O ATOM 384 CB LYS A 42 -6.347 14.961 -7.429 1.00 0.82 C ATOM 385 CG LYS A 42 -5.757 14.751 -8.820 1.00 0.96 C ATOM 386 CD LYS A 42 -4.514 13.875 -8.790 1.00 1.41 C ATOM 387 CE LYS A 42 -3.911 13.701 -10.178 1.00 1.57 C ATOM 388 NZ LYS A 42 -4.865 13.072 -11.135 1.00 2.30 N ATOM 0 H LYS A 42 -7.444 11.880 -7.536 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.852 13.067 -6.553 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.224 15.603 -7.513 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.620 15.494 -6.816 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.507 14.293 -9.466 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.508 15.718 -9.257 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -3.773 14.318 -8.125 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.768 12.898 -8.379 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.603 14.673 -10.562 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.013 13.087 -10.107 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -4.375 12.332 -11.678 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -5.656 12.649 -10.609 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -5.230 13.795 -11.787 1.00 2.30 H new ATOM 402 N ASP A 43 -8.358 13.226 -4.940 1.00 0.61 N ATOM 403 CA ASP A 43 -8.979 13.390 -3.634 1.00 0.58 C ATOM 404 C ASP A 43 -8.675 12.173 -2.773 1.00 0.52 C ATOM 405 O ASP A 43 -9.387 11.164 -2.815 1.00 0.54 O ATOM 406 CB ASP A 43 -10.487 13.559 -3.761 1.00 0.61 C ATOM 407 CG ASP A 43 -11.089 14.217 -2.539 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.067 13.611 -1.447 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.588 15.354 -2.667 1.00 0.73 O ATOM 0 H ASP A 43 -8.766 12.484 -5.509 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.571 14.288 -3.169 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.711 14.159 -4.643 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.950 12.584 -3.912 1.00 0.61 H new ATOM 414 N TYR A 44 -7.607 12.266 -2.006 1.00 0.48 N ATOM 415 CA TYR A 44 -7.092 11.128 -1.273 1.00 0.45 C ATOM 416 C TYR A 44 -7.833 10.912 0.040 1.00 0.44 C ATOM 417 O TYR A 44 -7.829 9.808 0.576 1.00 0.43 O ATOM 418 CB TYR A 44 -5.598 11.317 -1.041 1.00 0.45 C ATOM 419 CG TYR A 44 -4.846 11.653 -2.314 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.711 10.714 -3.328 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.273 12.905 -2.503 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.024 11.011 -4.492 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.587 13.210 -3.666 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.465 12.259 -4.655 1.00 0.64 C ATOM 425 OH TYR A 44 -2.771 12.551 -5.812 1.00 0.75 O ATOM 0 H TYR A 44 -7.075 13.126 -1.874 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.254 10.229 -1.868 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.446 12.114 -0.313 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.184 10.406 -0.609 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.150 9.735 -3.206 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.365 13.653 -1.729 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -3.927 10.267 -5.269 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.150 14.189 -3.797 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.440 13.473 -5.771 1.00 0.75 H new ATOM 435 N GLU A 45 -8.483 11.949 0.551 1.00 0.48 N ATOM 436 CA GLU A 45 -9.252 11.812 1.782 1.00 0.50 C ATOM 437 C GLU A 45 -10.547 11.104 1.543 1.00 0.46 C ATOM 438 O GLU A 45 -10.920 10.213 2.304 1.00 0.43 O ATOM 439 CB GLU A 45 -9.531 13.152 2.422 1.00 0.61 C ATOM 440 CG GLU A 45 -8.285 13.755 2.970 1.00 0.76 C ATOM 441 CD GLU A 45 -8.540 14.983 3.813 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.973 14.834 4.977 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.306 16.106 3.321 1.00 1.17 O ATOM 0 H GLU A 45 -8.494 12.882 0.140 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.640 11.219 2.461 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.971 13.825 1.686 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.262 13.031 3.221 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.763 13.011 3.572 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.623 14.019 2.145 1.00 0.76 H new ATOM 450 N ASN A 46 -11.250 11.492 0.496 1.00 0.48 N ATOM 451 CA ASN A 46 -12.470 10.810 0.183 1.00 0.48 C ATOM 452 C ASN A 46 -12.155 9.366 -0.162 1.00 0.43 C ATOM 453 O ASN A 46 -12.918 8.458 0.160 1.00 0.43 O ATOM 454 CB ASN A 46 -13.243 11.479 -0.956 1.00 0.53 C ATOM 455 CG ASN A 46 -14.126 12.618 -0.487 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.293 12.416 -0.160 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.582 13.823 -0.466 1.00 0.63 N ATOM 0 H ASN A 46 -10.999 12.256 -0.131 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.116 10.854 1.060 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.536 11.856 -1.695 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.859 10.732 -1.457 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.135 14.627 -0.170 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.609 13.948 -0.745 1.00 0.63 H new ATOM 464 N ALA A 47 -11.006 9.166 -0.805 1.00 0.41 N ATOM 465 CA ALA A 47 -10.490 7.830 -1.051 1.00 0.38 C ATOM 466 C ALA A 47 -10.371 7.061 0.264 1.00 0.34 C ATOM 467 O ALA A 47 -10.916 5.964 0.398 1.00 0.32 O ATOM 468 CB ALA A 47 -9.144 7.907 -1.759 1.00 0.40 C ATOM 0 H ALA A 47 -10.417 9.917 -1.164 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.185 7.295 -1.698 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.769 6.899 -1.937 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.263 8.424 -2.711 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.436 8.453 -1.136 1.00 0.40 H new ATOM 474 N ILE A 48 -9.680 7.660 1.239 1.00 0.34 N ATOM 475 CA ILE A 48 -9.560 7.084 2.581 1.00 0.32 C ATOM 476 C ILE A 48 -10.932 6.686 3.118 1.00 0.29 C ATOM 477 O ILE A 48 -11.124 5.567 3.596 1.00 0.28 O ATOM 478 CB ILE A 48 -8.905 8.081 3.573 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.453 8.346 3.190 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.979 7.568 5.002 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.709 9.222 4.171 1.00 0.42 C ATOM 0 H ILE A 48 -9.193 8.549 1.122 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.925 6.203 2.495 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.463 9.016 3.516 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.932 7.393 3.102 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.427 8.816 2.207 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.512 8.289 5.672 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.022 7.432 5.286 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.456 6.614 5.074 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.684 9.363 3.828 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.204 10.190 4.243 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.701 8.745 5.151 1.00 0.42 H new ATOM 493 N LYS A 49 -11.877 7.610 3.014 1.00 0.31 N ATOM 494 CA LYS A 49 -13.241 7.394 3.468 1.00 0.32 C ATOM 495 C LYS A 49 -13.841 6.131 2.856 1.00 0.27 C ATOM 496 O LYS A 49 -14.331 5.260 3.573 1.00 0.27 O ATOM 497 CB LYS A 49 -14.095 8.612 3.112 1.00 0.39 C ATOM 498 CG LYS A 49 -15.572 8.448 3.424 1.00 0.44 C ATOM 499 CD LYS A 49 -16.323 9.749 3.211 1.00 0.63 C ATOM 500 CE LYS A 49 -16.465 10.084 1.738 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.166 11.379 1.540 1.00 1.50 N ATOM 0 H LYS A 49 -11.717 8.533 2.611 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.226 7.260 4.550 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.715 9.479 3.652 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.981 8.824 2.049 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.997 7.671 2.789 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.695 8.118 4.456 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.312 9.676 3.664 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.799 10.559 3.719 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.478 10.129 1.277 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -17.016 9.290 1.234 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.042 11.221 1.002 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.398 11.793 2.465 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.549 12.031 1.014 1.00 1.50 H new ATOM 515 N PHE A 50 -13.789 6.027 1.536 1.00 0.27 N ATOM 516 CA PHE A 50 -14.367 4.883 0.841 1.00 0.27 C ATOM 517 C PHE A 50 -13.633 3.586 1.176 1.00 0.23 C ATOM 518 O PHE A 50 -14.251 2.525 1.246 1.00 0.25 O ATOM 519 CB PHE A 50 -14.398 5.127 -0.668 1.00 0.35 C ATOM 520 CG PHE A 50 -15.481 6.084 -1.093 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.746 5.619 -1.397 1.00 0.56 C ATOM 522 CD2 PHE A 50 -15.236 7.442 -1.183 1.00 0.71 C ATOM 523 CE1 PHE A 50 -17.747 6.489 -1.784 1.00 0.65 C ATOM 524 CE2 PHE A 50 -16.232 8.318 -1.569 1.00 0.81 C ATOM 525 CZ PHE A 50 -17.490 7.840 -1.871 1.00 0.66 C ATOM 0 H PHE A 50 -13.354 6.718 0.925 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.393 4.769 1.190 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.432 5.518 -0.986 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.541 4.176 -1.180 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -16.955 4.561 -1.331 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -14.253 7.823 -0.948 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -18.731 6.110 -2.018 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -16.026 9.376 -1.634 1.00 0.81 H new ATOM 0 HZ PHE A 50 -18.271 8.522 -2.174 1.00 0.66 H new ATOM 535 N TYR A 51 -12.328 3.664 1.412 1.00 0.23 N ATOM 536 CA TYR A 51 -11.581 2.483 1.828 1.00 0.25 C ATOM 537 C TYR A 51 -12.020 2.047 3.219 1.00 0.21 C ATOM 538 O TYR A 51 -12.200 0.859 3.476 1.00 0.23 O ATOM 539 CB TYR A 51 -10.070 2.729 1.807 1.00 0.31 C ATOM 540 CG TYR A 51 -9.505 2.937 0.420 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.795 2.045 -0.607 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.700 4.030 0.131 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.295 2.238 -1.880 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.203 4.232 -1.141 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.503 3.334 -2.141 1.00 0.72 C ATOM 546 OH TYR A 51 -8.020 3.542 -3.410 1.00 0.88 O ATOM 0 H TYR A 51 -11.774 4.516 1.325 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.797 1.688 1.114 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.845 3.605 2.416 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.567 1.881 2.271 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.421 1.188 -0.406 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.459 4.734 0.914 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.524 1.534 -2.666 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.582 5.090 -1.351 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.176 4.037 -3.362 1.00 0.88 H new ATOM 556 N SER A 52 -12.224 3.014 4.105 1.00 0.20 N ATOM 557 CA SER A 52 -12.672 2.724 5.458 1.00 0.22 C ATOM 558 C SER A 52 -14.051 2.086 5.418 1.00 0.22 C ATOM 559 O SER A 52 -14.327 1.112 6.118 1.00 0.23 O ATOM 560 CB SER A 52 -12.718 4.002 6.289 1.00 0.25 C ATOM 561 OG SER A 52 -11.465 4.667 6.273 1.00 0.56 O ATOM 0 H SER A 52 -12.086 4.005 3.909 1.00 0.20 H new ATOM 0 HA SER A 52 -11.967 2.032 5.919 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.490 4.665 5.899 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.993 3.762 7.316 1.00 0.25 H new ATOM 0 HG SER A 52 -11.299 5.031 5.378 1.00 0.56 H new ATOM 567 N GLN A 53 -14.903 2.638 4.568 1.00 0.24 N ATOM 568 CA GLN A 53 -16.251 2.126 4.382 1.00 0.27 C ATOM 569 C GLN A 53 -16.217 0.692 3.847 1.00 0.26 C ATOM 570 O GLN A 53 -17.073 -0.129 4.177 1.00 0.30 O ATOM 571 CB GLN A 53 -17.029 3.050 3.442 1.00 0.31 C ATOM 572 CG GLN A 53 -17.218 4.450 4.002 1.00 0.37 C ATOM 573 CD GLN A 53 -18.174 5.293 3.186 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.648 6.017 2.212 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.377 5.300 3.437 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.681 3.449 3.991 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.760 2.104 5.346 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.504 3.114 2.489 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -18.006 2.612 3.238 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.588 4.379 5.025 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.251 4.950 4.048 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -19.743 4.727 4.197 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -20.010 5.879 2.885 1.00 0.94 H new ATOM 584 N ALA A 54 -15.207 0.391 3.039 1.00 0.23 N ATOM 585 CA ALA A 54 -15.007 -0.959 2.527 1.00 0.24 C ATOM 586 C ALA A 54 -14.614 -1.914 3.652 1.00 0.23 C ATOM 587 O ALA A 54 -14.889 -3.113 3.592 1.00 0.25 O ATOM 588 CB ALA A 54 -13.949 -0.952 1.434 1.00 0.25 C ATOM 0 H ALA A 54 -14.511 1.067 2.723 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.947 -1.311 2.101 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.807 -1.965 1.058 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.272 -0.305 0.619 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.008 -0.581 1.841 1.00 0.25 H new ATOM 594 N ILE A 55 -13.992 -1.360 4.687 1.00 0.22 N ATOM 595 CA ILE A 55 -13.574 -2.135 5.858 1.00 0.22 C ATOM 596 C ILE A 55 -14.739 -2.260 6.834 1.00 0.24 C ATOM 597 O ILE A 55 -14.695 -3.007 7.816 1.00 0.27 O ATOM 598 CB ILE A 55 -12.376 -1.471 6.567 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.280 -1.158 5.557 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.830 -2.368 7.673 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.273 -0.156 6.060 1.00 0.28 C ATOM 0 H ILE A 55 -13.763 -0.368 4.742 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.267 -3.124 5.519 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.720 -0.542 7.021 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.763 -2.081 5.294 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.736 -0.777 4.643 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.986 -1.876 8.157 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.612 -2.555 8.409 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.501 -3.315 7.245 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.521 0.021 5.291 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.778 0.781 6.296 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.791 -0.544 6.957 1.00 0.28 H new ATOM 613 N GLU A 56 -15.777 -1.502 6.565 1.00 0.27 N ATOM 614 CA GLU A 56 -17.018 -1.616 7.300 1.00 0.31 C ATOM 615 C GLU A 56 -17.886 -2.705 6.682 1.00 0.31 C ATOM 616 O GLU A 56 -18.701 -3.331 7.359 1.00 0.34 O ATOM 617 CB GLU A 56 -17.742 -0.277 7.270 1.00 0.34 C ATOM 618 CG GLU A 56 -16.887 0.863 7.791 1.00 0.36 C ATOM 619 CD GLU A 56 -16.794 0.875 9.302 1.00 0.45 C ATOM 620 OE1 GLU A 56 -16.036 0.058 9.871 1.00 0.81 O ATOM 621 OE2 GLU A 56 -17.495 1.696 9.931 1.00 0.78 O ATOM 0 H GLU A 56 -15.786 -0.791 5.834 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.810 -1.886 8.335 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.049 -0.057 6.247 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.651 -0.347 7.868 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.885 0.783 7.369 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.303 1.811 7.448 1.00 0.36 H new ATOM 628 N LEU A 57 -17.690 -2.932 5.390 1.00 0.31 N ATOM 629 CA LEU A 57 -18.452 -3.935 4.664 1.00 0.33 C ATOM 630 C LEU A 57 -17.771 -5.301 4.742 1.00 0.33 C ATOM 631 O LEU A 57 -18.413 -6.292 5.075 1.00 0.40 O ATOM 632 CB LEU A 57 -18.639 -3.485 3.221 1.00 0.34 C ATOM 633 CG LEU A 57 -19.263 -2.096 3.084 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.346 -1.683 1.640 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.638 -2.057 3.727 1.00 0.40 C ATOM 0 H LEU A 57 -17.006 -2.432 4.822 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.434 -4.041 5.124 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.671 -3.489 2.721 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.269 -4.209 2.703 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.619 -1.387 3.605 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.793 -0.692 1.570 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.345 -1.660 1.210 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.960 -2.398 1.092 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -21.063 -1.059 3.617 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.288 -2.784 3.240 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.551 -2.300 4.786 1.00 0.40 H new ATOM 647 N ASN A 58 -16.475 -5.357 4.447 1.00 0.29 N ATOM 648 CA ASN A 58 -15.702 -6.561 4.722 1.00 0.30 C ATOM 649 C ASN A 58 -14.688 -6.173 5.791 1.00 0.30 C ATOM 650 O ASN A 58 -14.526 -4.994 6.048 1.00 0.34 O ATOM 651 CB ASN A 58 -14.991 -6.995 3.418 1.00 0.35 C ATOM 652 CG ASN A 58 -14.565 -8.454 3.383 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.237 -9.331 3.919 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.438 -8.724 2.743 1.00 0.57 N ATOM 0 H ASN A 58 -15.946 -4.594 4.024 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.319 -7.392 5.064 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.657 -6.805 2.576 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.110 -6.370 3.275 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.103 -9.686 2.684 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -12.905 -7.970 2.309 1.00 0.57 H new ATOM 661 N PRO A 59 -13.970 -7.104 6.414 1.00 0.31 N ATOM 662 CA PRO A 59 -12.876 -6.753 7.298 1.00 0.35 C ATOM 663 C PRO A 59 -11.482 -7.013 6.723 1.00 0.35 C ATOM 664 O PRO A 59 -10.756 -6.081 6.377 1.00 0.35 O ATOM 665 CB PRO A 59 -13.167 -7.648 8.493 1.00 0.41 C ATOM 666 CG PRO A 59 -13.825 -8.876 7.918 1.00 0.41 C ATOM 667 CD PRO A 59 -14.291 -8.524 6.518 1.00 0.34 C ATOM 0 HA PRO A 59 -12.839 -5.685 7.512 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.251 -7.905 9.025 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.821 -7.149 9.208 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.124 -9.711 7.891 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.667 -9.186 8.537 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.773 -9.112 5.760 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.358 -8.707 6.389 1.00 0.34 H new ATOM 675 N SER A 60 -11.125 -8.283 6.614 1.00 0.44 N ATOM 676 CA SER A 60 -9.768 -8.673 6.274 1.00 0.49 C ATOM 677 C SER A 60 -9.513 -8.585 4.772 1.00 0.49 C ATOM 678 O SER A 60 -9.578 -9.587 4.060 1.00 0.68 O ATOM 679 CB SER A 60 -9.491 -10.092 6.785 1.00 0.63 C ATOM 680 OG SER A 60 -8.138 -10.463 6.584 1.00 1.52 O ATOM 0 H SER A 60 -11.763 -9.066 6.758 1.00 0.44 H new ATOM 0 HA SER A 60 -9.085 -7.976 6.759 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.731 -10.151 7.847 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.143 -10.798 6.271 1.00 0.63 H new ATOM 0 HG SER A 60 -7.994 -11.372 6.922 1.00 1.52 H new ATOM 686 N ASN A 61 -9.284 -7.377 4.278 1.00 0.43 N ATOM 687 CA ASN A 61 -8.826 -7.208 2.911 1.00 0.45 C ATOM 688 C ASN A 61 -7.561 -6.360 2.879 1.00 0.38 C ATOM 689 O ASN A 61 -7.611 -5.135 3.051 1.00 0.34 O ATOM 690 CB ASN A 61 -9.899 -6.579 2.023 1.00 0.48 C ATOM 691 CG ASN A 61 -9.679 -6.926 0.560 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.549 -7.145 0.129 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.753 -6.988 -0.214 1.00 1.07 N ATOM 0 H ASN A 61 -9.407 -6.509 4.799 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.608 -8.200 2.515 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.883 -6.926 2.337 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.888 -5.496 2.148 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.657 -7.224 -1.202 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.676 -6.800 0.178 1.00 1.07 H new ATOM 700 N ALA A 62 -6.432 -7.020 2.662 1.00 0.42 N ATOM 701 CA ALA A 62 -5.145 -6.343 2.609 1.00 0.42 C ATOM 702 C ALA A 62 -5.130 -5.281 1.515 1.00 0.37 C ATOM 703 O ALA A 62 -4.438 -4.271 1.628 1.00 0.38 O ATOM 704 CB ALA A 62 -4.033 -7.352 2.380 1.00 0.52 C ATOM 0 H ALA A 62 -6.382 -8.029 2.519 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.981 -5.845 3.565 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.074 -6.835 2.342 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.023 -8.074 3.196 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.202 -7.872 1.437 1.00 0.52 H new ATOM 710 N ILE A 63 -5.910 -5.520 0.463 1.00 0.36 N ATOM 711 CA ILE A 63 -6.036 -4.578 -0.646 1.00 0.35 C ATOM 712 C ILE A 63 -6.535 -3.225 -0.148 1.00 0.31 C ATOM 713 O ILE A 63 -5.964 -2.180 -0.463 1.00 0.34 O ATOM 714 CB ILE A 63 -7.022 -5.106 -1.712 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.577 -6.476 -2.233 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.152 -4.114 -2.856 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.314 -6.433 -3.050 1.00 0.74 C ATOM 0 H ILE A 63 -6.469 -6.366 0.356 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.047 -4.466 -1.091 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.000 -5.222 -1.245 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.428 -7.146 -1.386 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.377 -6.901 -2.839 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.850 -4.503 -3.597 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.522 -3.163 -2.473 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.177 -3.964 -3.320 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.062 -7.440 -3.384 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.463 -5.790 -3.917 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.500 -6.038 -2.442 1.00 0.74 H new ATOM 729 N TYR A 64 -7.586 -3.261 0.660 1.00 0.29 N ATOM 730 CA TYR A 64 -8.227 -2.043 1.133 1.00 0.28 C ATOM 731 C TYR A 64 -7.277 -1.242 2.007 1.00 0.30 C ATOM 732 O TYR A 64 -7.106 -0.040 1.813 1.00 0.34 O ATOM 733 CB TYR A 64 -9.493 -2.365 1.925 1.00 0.26 C ATOM 734 CG TYR A 64 -10.575 -3.066 1.133 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.565 -3.074 -0.257 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.604 -3.733 1.785 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.550 -3.725 -0.972 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.590 -4.392 1.076 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.558 -4.383 -0.302 1.00 0.35 C ATOM 740 OH TYR A 64 -13.527 -5.049 -1.010 1.00 0.42 O ATOM 0 H TYR A 64 -8.013 -4.122 1.002 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.497 -1.451 0.258 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.223 -2.990 2.777 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -9.900 -1.437 2.327 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.774 -2.563 -0.786 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.634 -3.737 2.865 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.531 -3.719 -2.052 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.380 -4.911 1.598 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.163 -5.460 -0.388 1.00 0.42 H new ATOM 750 N TYR A 65 -6.654 -1.918 2.964 1.00 0.30 N ATOM 751 CA TYR A 65 -5.742 -1.253 3.887 1.00 0.32 C ATOM 752 C TYR A 65 -4.470 -0.785 3.188 1.00 0.33 C ATOM 753 O TYR A 65 -3.921 0.260 3.530 1.00 0.37 O ATOM 754 CB TYR A 65 -5.391 -2.169 5.055 1.00 0.34 C ATOM 755 CG TYR A 65 -6.378 -2.101 6.200 1.00 0.36 C ATOM 756 CD1 TYR A 65 -6.259 -1.121 7.177 1.00 0.51 C ATOM 757 CD2 TYR A 65 -7.413 -3.021 6.319 1.00 0.37 C ATOM 758 CE1 TYR A 65 -7.139 -1.059 8.238 1.00 0.58 C ATOM 759 CE2 TYR A 65 -8.296 -2.969 7.382 1.00 0.40 C ATOM 760 CZ TYR A 65 -8.153 -1.985 8.338 1.00 0.47 C ATOM 761 OH TYR A 65 -9.015 -1.941 9.410 1.00 0.55 O ATOM 0 H TYR A 65 -6.762 -2.920 3.121 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.257 -0.372 4.270 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.336 -3.196 4.695 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.400 -1.907 5.425 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -5.463 -0.394 7.105 1.00 0.51 H new ATOM 0 HD2 TYR A 65 -7.530 -3.789 5.569 1.00 0.37 H new ATOM 0 HE1 TYR A 65 -7.033 -0.288 8.987 1.00 0.58 H new ATOM 0 HE2 TYR A 65 -9.092 -3.694 7.463 1.00 0.40 H new ATOM 0 HH TYR A 65 -9.357 -1.029 9.518 1.00 0.55 H new ATOM 771 N GLY A 66 -4.013 -1.549 2.204 1.00 0.35 N ATOM 772 CA GLY A 66 -2.813 -1.182 1.479 1.00 0.41 C ATOM 773 C GLY A 66 -3.000 0.092 0.690 1.00 0.43 C ATOM 774 O GLY A 66 -2.154 0.987 0.725 1.00 0.51 O ATOM 0 H GLY A 66 -4.452 -2.416 1.895 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -1.989 -1.057 2.181 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.536 -1.991 0.803 1.00 0.41 H new ATOM 778 N ASN A 67 -4.119 0.185 -0.008 1.00 0.44 N ATOM 779 CA ASN A 67 -4.418 1.362 -0.806 1.00 0.57 C ATOM 780 C ASN A 67 -4.809 2.528 0.103 1.00 0.41 C ATOM 781 O ASN A 67 -4.525 3.687 -0.195 1.00 0.38 O ATOM 782 CB ASN A 67 -5.536 1.047 -1.798 1.00 0.84 C ATOM 783 CG ASN A 67 -5.587 2.020 -2.961 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.244 3.194 -2.835 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.022 1.538 -4.112 1.00 1.35 N ATOM 0 H ASN A 67 -4.836 -0.540 -0.038 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.529 1.650 -1.368 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -5.399 0.036 -2.183 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.493 1.063 -1.276 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.081 2.145 -4.930 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -6.299 0.559 -4.183 1.00 1.35 H new ATOM 792 N ARG A 68 -5.444 2.220 1.232 1.00 0.39 N ATOM 793 CA ARG A 68 -5.769 3.245 2.217 1.00 0.39 C ATOM 794 C ARG A 68 -4.484 3.830 2.791 1.00 0.31 C ATOM 795 O ARG A 68 -4.385 5.037 3.018 1.00 0.32 O ATOM 796 CB ARG A 68 -6.621 2.670 3.345 1.00 0.53 C ATOM 797 CG ARG A 68 -7.230 3.726 4.257 1.00 0.80 C ATOM 798 CD ARG A 68 -7.826 3.087 5.496 1.00 0.48 C ATOM 799 NE ARG A 68 -8.616 4.020 6.297 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.534 4.108 7.621 1.00 1.16 C ATOM 801 NH1 ARG A 68 -7.623 3.406 8.285 1.00 1.42 N ATOM 802 NH2 ARG A 68 -9.344 4.924 8.285 1.00 1.87 N ATOM 0 H ARG A 68 -5.741 1.277 1.485 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.341 4.029 1.721 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.423 2.071 2.913 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.007 1.997 3.944 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.466 4.448 4.546 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -8.002 4.277 3.719 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.456 2.249 5.198 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -7.023 2.680 6.110 1.00 0.48 H new ATOM 0 HE ARG A 68 -9.267 4.638 5.813 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -6.981 2.795 7.779 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -7.565 3.478 9.301 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -10.030 5.484 7.779 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -9.280 4.991 9.301 1.00 1.87 H new ATOM 816 N SER A 69 -3.505 2.958 3.024 1.00 0.31 N ATOM 817 CA SER A 69 -2.171 3.378 3.430 1.00 0.32 C ATOM 818 C SER A 69 -1.612 4.362 2.412 1.00 0.27 C ATOM 819 O SER A 69 -1.052 5.394 2.775 1.00 0.27 O ATOM 820 CB SER A 69 -1.249 2.158 3.559 1.00 0.43 C ATOM 821 OG SER A 69 0.093 2.540 3.803 1.00 1.16 O ATOM 0 H SER A 69 -3.615 1.948 2.937 1.00 0.31 H new ATOM 0 HA SER A 69 -2.229 3.869 4.401 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.600 1.521 4.371 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.299 1.566 2.645 1.00 0.43 H new ATOM 0 HG SER A 69 0.297 2.429 4.755 1.00 1.16 H new ATOM 827 N LEU A 70 -1.798 4.044 1.138 1.00 0.28 N ATOM 828 CA LEU A 70 -1.367 4.920 0.058 1.00 0.31 C ATOM 829 C LEU A 70 -2.082 6.265 0.119 1.00 0.31 C ATOM 830 O LEU A 70 -1.488 7.302 -0.155 1.00 0.38 O ATOM 831 CB LEU A 70 -1.636 4.276 -1.293 1.00 0.36 C ATOM 832 CG LEU A 70 -1.223 5.126 -2.486 1.00 0.46 C ATOM 833 CD1 LEU A 70 0.227 4.865 -2.859 1.00 1.25 C ATOM 834 CD2 LEU A 70 -2.150 4.873 -3.652 1.00 1.16 C ATOM 0 H LEU A 70 -2.246 3.182 0.827 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.296 5.083 0.179 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.108 3.324 -1.340 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.700 4.054 -1.371 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.304 6.178 -2.213 1.00 0.46 H new ATOM 0 HD11 LEU A 70 0.500 5.483 -3.714 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.870 5.111 -2.014 1.00 1.25 H new ATOM 0 HD13 LEU A 70 0.353 3.813 -3.117 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -1.845 5.487 -4.499 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -2.105 3.820 -3.931 1.00 1.16 H new ATOM 0 HD23 LEU A 70 -3.171 5.129 -3.368 1.00 1.16 H new ATOM 846 N ALA A 71 -3.356 6.243 0.474 1.00 0.26 N ATOM 847 CA ALA A 71 -4.133 7.464 0.589 1.00 0.30 C ATOM 848 C ALA A 71 -3.568 8.344 1.694 1.00 0.29 C ATOM 849 O ALA A 71 -3.466 9.566 1.549 1.00 0.36 O ATOM 850 CB ALA A 71 -5.589 7.133 0.847 1.00 0.32 C ATOM 0 H ALA A 71 -3.874 5.391 0.688 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.071 8.016 -0.349 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.163 8.056 0.932 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.979 6.538 0.021 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.675 6.566 1.774 1.00 0.32 H new ATOM 856 N TYR A 72 -3.190 7.712 2.800 1.00 0.25 N ATOM 857 CA TYR A 72 -2.478 8.398 3.864 1.00 0.25 C ATOM 858 C TYR A 72 -1.107 8.858 3.370 1.00 0.26 C ATOM 859 O TYR A 72 -0.652 9.949 3.696 1.00 0.30 O ATOM 860 CB TYR A 72 -2.320 7.489 5.080 1.00 0.25 C ATOM 861 CG TYR A 72 -3.584 7.326 5.897 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.075 8.376 6.660 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.275 6.122 5.917 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.220 8.235 7.418 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.421 5.971 6.675 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.888 7.032 7.424 1.00 0.43 C ATOM 867 OH TYR A 72 -7.022 6.885 8.185 1.00 0.52 O ATOM 0 H TYR A 72 -3.367 6.724 2.980 1.00 0.25 H new ATOM 0 HA TYR A 72 -3.059 9.271 4.159 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.987 6.507 4.745 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.535 7.890 5.721 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.552 9.321 6.661 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.912 5.291 5.331 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.589 9.064 8.003 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.948 5.028 6.681 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.480 7.748 8.260 1.00 0.52 H new ATOM 877 N LEU A 73 -0.463 8.019 2.574 1.00 0.26 N ATOM 878 CA LEU A 73 0.828 8.340 1.976 1.00 0.30 C ATOM 879 C LEU A 73 0.748 9.606 1.126 1.00 0.37 C ATOM 880 O LEU A 73 1.637 10.455 1.179 1.00 0.50 O ATOM 881 CB LEU A 73 1.309 7.154 1.131 1.00 0.31 C ATOM 882 CG LEU A 73 2.080 6.086 1.904 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.080 4.762 1.156 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.504 6.550 2.130 1.00 0.43 C ATOM 0 H LEU A 73 -0.818 7.096 2.323 1.00 0.26 H new ATOM 0 HA LEU A 73 1.544 8.528 2.776 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.444 6.688 0.660 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.944 7.531 0.329 1.00 0.31 H new ATOM 0 HG LEU A 73 1.587 5.933 2.864 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.636 4.020 1.729 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.054 4.421 1.020 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.550 4.895 0.182 1.00 0.33 H new ATOM 0 HD21 LEU A 73 4.052 5.786 2.682 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.988 6.721 1.168 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.498 7.477 2.703 1.00 0.43 H new ATOM 896 N ARG A 74 -0.323 9.733 0.355 1.00 0.38 N ATOM 897 CA ARG A 74 -0.520 10.901 -0.498 1.00 0.48 C ATOM 898 C ARG A 74 -0.790 12.147 0.338 1.00 0.53 C ATOM 899 O ARG A 74 -0.395 13.253 -0.025 1.00 0.67 O ATOM 900 CB ARG A 74 -1.695 10.676 -1.450 1.00 0.51 C ATOM 901 CG ARG A 74 -1.573 9.431 -2.309 1.00 0.48 C ATOM 902 CD ARG A 74 -0.379 9.503 -3.246 1.00 1.19 C ATOM 903 NE ARG A 74 -0.571 10.497 -4.299 1.00 1.95 N ATOM 904 CZ ARG A 74 0.423 11.112 -4.937 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.684 10.894 -4.580 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.150 11.964 -5.914 1.00 3.53 N ATOM 0 H ARG A 74 -1.071 9.041 0.301 1.00 0.38 H new ATOM 0 HA ARG A 74 0.394 11.048 -1.073 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.613 10.612 -0.866 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.791 11.545 -2.101 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.478 8.555 -1.667 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.485 9.302 -2.892 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.516 9.748 -2.675 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.212 8.525 -3.697 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.527 10.735 -4.562 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.894 10.253 -3.814 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.442 11.367 -5.071 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.819 12.147 -6.175 1.00 3.53 H new ATOM 0 HH22 ARG A 74 0.909 12.437 -6.405 1.00 3.53 H new ATOM 920 N THR A 75 -1.460 11.956 1.462 1.00 0.48 N ATOM 921 CA THR A 75 -1.860 13.064 2.311 1.00 0.57 C ATOM 922 C THR A 75 -0.803 13.375 3.377 1.00 0.70 C ATOM 923 O THR A 75 -1.068 14.122 4.321 1.00 1.53 O ATOM 924 CB THR A 75 -3.210 12.760 2.985 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.168 11.465 3.594 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.344 12.793 1.972 1.00 0.49 C ATOM 0 H THR A 75 -1.739 11.038 1.809 1.00 0.48 H new ATOM 0 HA THR A 75 -1.962 13.943 1.675 1.00 0.57 H new ATOM 0 HB THR A 75 -3.389 13.524 3.741 1.00 0.54 H new ATOM 0 HG1 THR A 75 -3.335 10.779 2.915 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.287 12.575 2.474 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.396 13.782 1.516 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.163 12.046 1.199 1.00 0.49 H new ATOM 934 N GLU A 76 0.392 12.791 3.212 1.00 0.57 N ATOM 935 CA GLU A 76 1.519 13.014 4.127 1.00 0.59 C ATOM 936 C GLU A 76 1.192 12.510 5.534 1.00 0.42 C ATOM 937 O GLU A 76 1.769 12.951 6.527 1.00 0.45 O ATOM 938 CB GLU A 76 1.912 14.495 4.153 1.00 0.86 C ATOM 939 CG GLU A 76 2.335 15.021 2.790 1.00 1.85 C ATOM 940 CD GLU A 76 2.764 16.473 2.826 1.00 2.38 C ATOM 941 OE1 GLU A 76 1.894 17.357 2.697 1.00 2.77 O ATOM 942 OE2 GLU A 76 3.972 16.735 2.992 1.00 2.71 O ATOM 0 H GLU A 76 0.604 12.154 2.444 1.00 0.57 H new ATOM 0 HA GLU A 76 2.371 12.443 3.758 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.069 15.083 4.518 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.729 14.636 4.861 1.00 0.86 H new ATOM 0 HG2 GLU A 76 3.157 14.414 2.411 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.507 14.909 2.090 1.00 1.85 H new ATOM 949 N CYS A 77 0.290 11.549 5.587 1.00 0.32 N ATOM 950 CA CYS A 77 -0.158 10.930 6.825 1.00 0.32 C ATOM 951 C CYS A 77 0.612 9.651 7.094 1.00 0.32 C ATOM 952 O CYS A 77 0.052 8.676 7.598 1.00 0.35 O ATOM 953 CB CYS A 77 -1.641 10.616 6.731 1.00 0.33 C ATOM 954 SG CYS A 77 -2.692 12.055 6.455 1.00 0.37 S ATOM 0 H CYS A 77 -0.162 11.168 4.756 1.00 0.32 H new ATOM 0 HA CYS A 77 0.021 11.626 7.645 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.799 9.905 5.920 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.955 10.124 7.651 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.316 11.926 5.322 1.00 0.37 H new ATOM 960 N TYR A 78 1.884 9.663 6.727 1.00 0.34 N ATOM 961 CA TYR A 78 2.728 8.471 6.743 1.00 0.38 C ATOM 962 C TYR A 78 2.616 7.670 8.042 1.00 0.41 C ATOM 963 O TYR A 78 2.754 6.450 8.019 1.00 0.43 O ATOM 964 CB TYR A 78 4.181 8.853 6.521 1.00 0.44 C ATOM 965 CG TYR A 78 4.402 9.812 5.375 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.777 9.621 4.153 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.243 10.909 5.518 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.982 10.494 3.102 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.455 11.785 4.472 1.00 0.66 C ATOM 970 CZ TYR A 78 4.822 11.573 3.266 1.00 0.66 C ATOM 971 OH TYR A 78 5.031 12.444 2.219 1.00 0.84 O ATOM 0 H TYR A 78 2.366 10.503 6.407 1.00 0.34 H new ATOM 0 HA TYR A 78 2.370 7.834 5.934 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.571 9.301 7.435 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.759 7.947 6.338 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.118 8.775 4.020 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.739 11.079 6.462 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.486 10.331 2.157 1.00 0.66 H new ATOM 0 HE2 TYR A 78 6.113 12.632 4.598 1.00 0.66 H new ATOM 0 HH TYR A 78 5.649 13.151 2.500 1.00 0.84 H new ATOM 981 N GLY A 79 2.384 8.348 9.162 1.00 0.43 N ATOM 982 CA GLY A 79 2.182 7.651 10.422 1.00 0.49 C ATOM 983 C GLY A 79 1.069 6.620 10.331 1.00 0.42 C ATOM 984 O GLY A 79 1.261 5.447 10.661 1.00 0.42 O ATOM 0 H GLY A 79 2.332 9.365 9.221 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.109 7.159 10.716 1.00 0.49 H new ATOM 0 HA3 GLY A 79 1.943 8.374 11.202 1.00 0.49 H new ATOM 988 N TYR A 80 -0.090 7.053 9.853 1.00 0.38 N ATOM 989 CA TYR A 80 -1.219 6.156 9.651 1.00 0.36 C ATOM 990 C TYR A 80 -0.918 5.180 8.526 1.00 0.30 C ATOM 991 O TYR A 80 -1.307 4.018 8.581 1.00 0.32 O ATOM 992 CB TYR A 80 -2.485 6.940 9.308 1.00 0.40 C ATOM 993 CG TYR A 80 -2.919 7.923 10.372 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.740 7.524 11.416 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.520 9.252 10.322 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.152 8.421 12.382 1.00 1.28 C ATOM 997 CE2 TYR A 80 -2.925 10.155 11.285 1.00 1.34 C ATOM 998 CZ TYR A 80 -3.743 9.735 12.312 1.00 1.29 C ATOM 999 OH TYR A 80 -4.152 10.632 13.272 1.00 1.70 O ATOM 0 H TYR A 80 -0.273 8.023 9.597 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.382 5.609 10.580 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.321 7.481 8.376 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.297 6.235 9.129 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -4.063 6.495 11.475 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -1.882 9.585 9.517 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -4.792 8.094 13.188 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -2.603 11.185 11.234 1.00 1.34 H new ATOM 0 HH TYR A 80 -3.774 11.515 13.077 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.215 5.668 7.510 1.00 0.28 N ATOM 1010 CA ALA A 81 0.150 4.852 6.362 1.00 0.28 C ATOM 1011 C ALA A 81 0.959 3.636 6.795 1.00 0.29 C ATOM 1012 O ALA A 81 0.642 2.505 6.433 1.00 0.33 O ATOM 1013 CB ALA A 81 0.938 5.679 5.361 1.00 0.31 C ATOM 0 H ALA A 81 0.115 6.632 7.460 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.766 4.500 5.887 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.206 5.058 4.506 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.330 6.518 5.023 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.845 6.055 5.834 1.00 0.31 H new ATOM 1019 N LEU A 82 1.988 3.885 7.591 1.00 0.30 N ATOM 1020 CA LEU A 82 2.866 2.836 8.079 1.00 0.34 C ATOM 1021 C LEU A 82 2.068 1.824 8.906 1.00 0.32 C ATOM 1022 O LEU A 82 2.257 0.609 8.782 1.00 0.37 O ATOM 1023 CB LEU A 82 4.002 3.488 8.895 1.00 0.42 C ATOM 1024 CG LEU A 82 5.189 2.595 9.286 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.819 1.630 10.394 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.710 1.840 8.075 1.00 0.52 C ATOM 0 H LEU A 82 2.236 4.819 7.916 1.00 0.30 H new ATOM 0 HA LEU A 82 3.308 2.287 7.248 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.388 4.331 8.322 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.570 3.895 9.809 1.00 0.42 H new ATOM 0 HG LEU A 82 5.980 3.244 9.662 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.683 1.015 10.644 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.505 2.190 11.275 1.00 0.49 H new ATOM 0 HD13 LEU A 82 4.002 0.990 10.061 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.551 1.213 8.371 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.916 1.214 7.667 1.00 0.52 H new ATOM 0 HD23 LEU A 82 6.037 2.551 7.316 1.00 0.52 H new ATOM 1038 N ASN A 83 1.152 2.328 9.722 1.00 0.32 N ATOM 1039 CA ASN A 83 0.325 1.472 10.569 1.00 0.39 C ATOM 1040 C ASN A 83 -0.663 0.645 9.747 1.00 0.38 C ATOM 1041 O ASN A 83 -0.760 -0.572 9.927 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.425 2.303 11.614 1.00 0.47 C ATOM 1043 CG ASN A 83 0.432 2.620 12.825 1.00 1.25 C ATOM 1044 OD1 ASN A 83 0.438 1.873 13.804 1.00 1.86 O ATOM 1045 ND2 ASN A 83 1.160 3.724 12.770 1.00 2.09 N ATOM 0 H ASN A 83 0.961 3.325 9.817 1.00 0.32 H new ATOM 0 HA ASN A 83 0.995 0.781 11.081 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.764 3.234 11.159 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.315 1.762 11.934 1.00 0.47 H new ATOM 0 HD21 ASN A 83 1.754 3.983 13.558 1.00 2.09 H new ATOM 0 HD22 ASN A 83 1.127 4.316 11.940 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.384 1.301 8.846 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.389 0.625 8.023 1.00 0.45 C ATOM 1054 C ASP A 84 -1.746 -0.366 7.059 1.00 0.42 C ATOM 1055 O ASP A 84 -2.323 -1.410 6.755 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.235 1.642 7.254 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.486 2.049 8.010 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -4.379 2.456 9.189 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.585 1.970 7.428 1.00 1.19 O ATOM 0 H ASP A 84 -1.294 2.301 8.664 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.040 0.066 8.695 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.634 2.528 7.049 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.519 1.219 6.290 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.550 -0.045 6.587 1.00 0.41 N ATOM 1065 CA ALA A 85 0.193 -0.956 5.726 1.00 0.43 C ATOM 1066 C ALA A 85 0.561 -2.225 6.487 1.00 0.42 C ATOM 1067 O ALA A 85 0.387 -3.338 5.986 1.00 0.42 O ATOM 1068 CB ALA A 85 1.439 -0.278 5.188 1.00 0.48 C ATOM 0 H ALA A 85 -0.074 0.835 6.784 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.441 -1.231 4.883 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.983 -0.972 4.547 1.00 0.48 H new ATOM 0 HB2 ALA A 85 1.154 0.602 4.611 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.077 0.024 6.019 1.00 0.48 H new ATOM 1074 N THR A 86 1.049 -2.046 7.709 1.00 0.42 N ATOM 1075 CA THR A 86 1.355 -3.163 8.589 1.00 0.44 C ATOM 1076 C THR A 86 0.097 -3.987 8.851 1.00 0.43 C ATOM 1077 O THR A 86 0.139 -5.213 8.902 1.00 0.44 O ATOM 1078 CB THR A 86 1.930 -2.662 9.930 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.097 -1.862 9.691 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.289 -3.824 10.842 1.00 0.55 C ATOM 0 H THR A 86 1.242 -1.130 8.113 1.00 0.42 H new ATOM 0 HA THR A 86 2.102 -3.787 8.097 1.00 0.44 H new ATOM 0 HB THR A 86 1.165 -2.061 10.423 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.827 -0.978 9.365 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.692 -3.440 11.779 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.397 -4.416 11.046 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.037 -4.451 10.356 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.020 -3.288 8.992 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.316 -3.912 9.212 1.00 0.43 C ATOM 1090 C ARG A 87 -2.682 -4.854 8.064 1.00 0.39 C ATOM 1091 O ARG A 87 -3.263 -5.913 8.289 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.369 -2.816 9.368 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.807 -3.283 9.235 1.00 0.58 C ATOM 1094 CD ARG A 87 -5.336 -3.953 10.490 1.00 0.71 C ATOM 1095 NE ARG A 87 -6.797 -3.870 10.531 1.00 1.63 N ATOM 1096 CZ ARG A 87 -7.611 -4.845 10.921 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -7.128 -5.979 11.409 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -8.925 -4.670 10.832 1.00 3.28 N ATOM 0 H ARG A 87 -1.053 -2.269 8.957 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.273 -4.514 10.120 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.244 -2.349 10.345 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.183 -2.045 8.620 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.439 -2.428 8.993 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.880 -3.980 8.400 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.023 -4.997 10.513 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.913 -3.474 11.373 1.00 0.71 H new ATOM 0 HE ARG A 87 -7.225 -2.992 10.236 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -6.120 -6.111 11.489 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -7.765 -6.719 11.705 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -9.299 -3.794 10.467 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -9.559 -5.412 11.128 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.332 -4.476 6.839 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.606 -5.325 5.687 1.00 0.38 C ATOM 1114 C ALA A 88 -1.771 -6.591 5.743 1.00 0.39 C ATOM 1115 O ALA A 88 -2.251 -7.666 5.405 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.342 -4.598 4.385 1.00 0.42 C ATOM 0 H ALA A 88 -1.863 -3.597 6.620 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.663 -5.590 5.724 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.557 -5.262 3.548 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.982 -3.718 4.324 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.297 -4.291 4.345 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.524 -6.457 6.177 1.00 0.42 N ATOM 1123 CA ILE A 89 0.360 -7.606 6.338 1.00 0.47 C ATOM 1124 C ILE A 89 -0.155 -8.524 7.453 1.00 0.47 C ATOM 1125 O ILE A 89 0.163 -9.710 7.503 1.00 0.59 O ATOM 1126 CB ILE A 89 1.807 -7.157 6.648 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.276 -6.142 5.600 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.750 -8.355 6.678 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.647 -5.566 5.875 1.00 1.15 C ATOM 0 H ILE A 89 -0.101 -5.563 6.424 1.00 0.42 H new ATOM 0 HA ILE A 89 0.367 -8.157 5.398 1.00 0.47 H new ATOM 0 HB ILE A 89 1.820 -6.687 7.631 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.284 -6.622 4.622 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.554 -5.327 5.549 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.762 -8.016 6.898 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.426 -9.054 7.449 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.737 -8.853 5.708 1.00 0.66 H new ATOM 0 HD11 ILE A 89 3.908 -4.857 5.090 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.641 -5.055 6.838 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.382 -6.371 5.896 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.960 -7.964 8.346 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.582 -8.745 9.406 1.00 0.43 C ATOM 1143 C GLU A 90 -2.834 -9.450 8.891 1.00 0.40 C ATOM 1144 O GLU A 90 -3.183 -10.537 9.355 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.936 -7.846 10.590 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.726 -7.227 11.270 1.00 0.50 C ATOM 1147 CD GLU A 90 0.181 -8.264 11.899 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.277 -8.986 12.808 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.359 -8.357 11.498 1.00 0.73 O ATOM 0 H GLU A 90 -1.197 -6.972 8.357 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.870 -9.501 9.737 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.595 -7.049 10.246 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.495 -8.428 11.322 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.160 -6.649 10.540 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.062 -6.530 12.037 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.505 -8.819 7.935 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.694 -9.398 7.317 1.00 0.39 C ATOM 1158 C LEU A 91 -4.297 -10.459 6.302 1.00 0.43 C ATOM 1159 O LEU A 91 -4.783 -11.591 6.338 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.519 -8.313 6.627 1.00 0.36 C ATOM 1161 CG LEU A 91 -6.073 -7.225 7.545 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.836 -6.197 6.734 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.966 -7.829 8.613 1.00 0.45 C ATOM 0 H LEU A 91 -3.246 -7.903 7.569 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.297 -9.859 8.100 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.900 -7.840 5.864 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.353 -8.788 6.111 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.238 -6.730 8.040 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.226 -5.426 7.398 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.168 -5.742 6.003 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.663 -6.683 6.216 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.350 -7.037 9.256 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.799 -8.348 8.140 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.391 -8.536 9.211 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.400 -10.085 5.406 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.878 -11.000 4.422 1.00 0.53 C ATOM 1177 C ASP A 92 -1.378 -10.973 4.517 1.00 0.56 C ATOM 1178 O ASP A 92 -0.725 -10.083 3.969 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.325 -10.662 3.002 1.00 0.66 C ATOM 1180 CG ASP A 92 -3.540 -11.917 2.178 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.799 -12.902 2.381 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -4.476 -11.943 1.350 1.00 2.34 O ATOM 0 H ASP A 92 -3.018 -9.141 5.345 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.269 -11.996 4.632 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -4.249 -10.085 3.037 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.575 -10.034 2.522 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.851 -11.929 5.257 1.00 0.48 N ATOM 1188 CA LYS A 93 0.555 -11.960 5.587 1.00 0.50 C ATOM 1189 C LYS A 93 1.402 -11.867 4.340 1.00 0.55 C ATOM 1190 O LYS A 93 2.366 -11.111 4.317 1.00 0.64 O ATOM 1191 CB LYS A 93 0.872 -13.219 6.379 1.00 0.55 C ATOM 1192 CG LYS A 93 2.286 -13.263 6.936 1.00 0.73 C ATOM 1193 CD LYS A 93 2.613 -11.987 7.694 1.00 1.22 C ATOM 1194 CE LYS A 93 3.774 -12.179 8.651 1.00 1.76 C ATOM 1195 NZ LYS A 93 3.408 -13.068 9.782 1.00 2.61 N ATOM 0 H LYS A 93 -1.388 -12.705 5.645 1.00 0.48 H new ATOM 0 HA LYS A 93 0.792 -11.095 6.206 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.165 -13.304 7.204 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.719 -14.087 5.738 1.00 0.55 H new ATOM 0 HG2 LYS A 93 2.393 -14.122 7.599 1.00 0.73 H new ATOM 0 HG3 LYS A 93 2.997 -13.399 6.121 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.854 -11.195 6.985 1.00 1.22 H new ATOM 0 HD3 LYS A 93 1.734 -11.660 8.250 1.00 1.22 H new ATOM 0 HE2 LYS A 93 4.623 -12.603 8.114 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.092 -11.211 9.037 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 4.059 -12.905 10.577 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 2.434 -12.863 10.084 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 3.474 -14.061 9.479 1.00 2.61 H new ATOM 1209 N LYS A 94 1.053 -12.601 3.291 1.00 0.55 N ATOM 1210 CA LYS A 94 1.732 -12.378 2.035 1.00 0.61 C ATOM 1211 C LYS A 94 0.837 -11.559 1.120 1.00 0.60 C ATOM 1212 O LYS A 94 -0.074 -12.076 0.473 1.00 0.69 O ATOM 1213 CB LYS A 94 2.116 -13.694 1.343 1.00 0.76 C ATOM 1214 CG LYS A 94 2.700 -14.754 2.265 1.00 0.96 C ATOM 1215 CD LYS A 94 3.825 -14.227 3.138 1.00 1.17 C ATOM 1216 CE LYS A 94 5.144 -14.153 2.390 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.230 -13.647 3.266 1.00 2.11 N ATOM 0 H LYS A 94 0.334 -13.325 3.286 1.00 0.55 H new ATOM 0 HA LYS A 94 2.656 -11.839 2.245 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.231 -14.104 0.856 1.00 0.76 H new ATOM 0 HB3 LYS A 94 2.840 -13.477 0.558 1.00 0.76 H new ATOM 0 HG2 LYS A 94 1.909 -15.150 2.902 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.072 -15.585 1.665 1.00 0.96 H new ATOM 0 HD2 LYS A 94 3.562 -13.236 3.507 1.00 1.17 H new ATOM 0 HD3 LYS A 94 3.939 -14.872 4.009 1.00 1.17 H new ATOM 0 HE2 LYS A 94 5.408 -15.141 2.014 1.00 1.41 H new ATOM 0 HE3 LYS A 94 5.038 -13.500 1.524 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 7.116 -13.591 2.724 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.979 -12.701 3.619 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.357 -14.294 4.070 1.00 2.11 H new ATOM 1231 N TYR A 95 1.123 -10.279 1.086 1.00 0.53 N ATOM 1232 CA TYR A 95 0.566 -9.364 0.116 1.00 0.58 C ATOM 1233 C TYR A 95 1.704 -8.480 -0.363 1.00 0.55 C ATOM 1234 O TYR A 95 2.142 -7.584 0.357 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.574 -8.544 0.744 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.179 -7.494 -0.170 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.479 -7.775 -1.497 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.447 -6.214 0.301 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -2.022 -6.812 -2.324 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.989 -5.245 -0.522 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.273 -5.548 -1.834 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.818 -4.592 -2.660 1.00 1.46 O ATOM 0 H TYR A 95 1.762 -9.835 1.745 1.00 0.53 H new ATOM 0 HA TYR A 95 0.130 -9.897 -0.729 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.362 -9.227 1.062 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.198 -8.052 1.641 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -1.284 -8.763 -1.888 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.227 -5.972 1.330 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -2.250 -7.048 -3.353 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.189 -4.256 -0.138 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.135 -3.926 -2.884 1.00 1.46 H new ATOM 1252 N ILE A 96 2.216 -8.774 -1.549 1.00 0.56 N ATOM 1253 CA ILE A 96 3.439 -8.142 -2.033 1.00 0.55 C ATOM 1254 C ILE A 96 3.292 -6.631 -2.114 1.00 0.49 C ATOM 1255 O ILE A 96 4.160 -5.889 -1.650 1.00 0.45 O ATOM 1256 CB ILE A 96 3.863 -8.703 -3.407 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.085 -10.215 -3.319 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.119 -8.005 -3.902 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.039 -10.624 -2.216 1.00 0.83 C ATOM 0 H ILE A 96 1.805 -9.447 -2.196 1.00 0.56 H new ATOM 0 HA ILE A 96 4.220 -8.375 -1.309 1.00 0.55 H new ATOM 0 HB ILE A 96 3.062 -8.513 -4.122 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.125 -10.706 -3.159 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.471 -10.573 -4.273 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.404 -8.413 -4.872 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.927 -6.937 -4.000 1.00 0.59 H new ATOM 0 HG23 ILE A 96 5.929 -8.164 -3.190 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.148 -11.708 -2.213 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.011 -10.162 -2.386 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.645 -10.297 -1.254 1.00 0.83 H new ATOM 1271 N LYS A 97 2.186 -6.177 -2.680 1.00 0.54 N ATOM 1272 CA LYS A 97 1.895 -4.754 -2.736 1.00 0.55 C ATOM 1273 C LYS A 97 1.762 -4.181 -1.331 1.00 0.50 C ATOM 1274 O LYS A 97 2.050 -3.015 -1.105 1.00 0.51 O ATOM 1275 CB LYS A 97 0.619 -4.502 -3.532 1.00 0.71 C ATOM 1276 CG LYS A 97 0.774 -4.758 -5.022 1.00 1.28 C ATOM 1277 CD LYS A 97 1.603 -3.676 -5.698 1.00 1.65 C ATOM 1278 CE LYS A 97 0.889 -2.330 -5.681 1.00 1.73 C ATOM 1279 NZ LYS A 97 -0.429 -2.397 -6.365 1.00 1.59 N ATOM 0 H LYS A 97 1.476 -6.772 -3.107 1.00 0.54 H new ATOM 0 HA LYS A 97 2.723 -4.254 -3.238 1.00 0.55 H new ATOM 0 HB2 LYS A 97 -0.175 -5.139 -3.142 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.303 -3.470 -3.380 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.247 -5.728 -5.177 1.00 1.28 H new ATOM 0 HG3 LYS A 97 -0.211 -4.805 -5.487 1.00 1.28 H new ATOM 0 HD2 LYS A 97 2.565 -3.585 -5.193 1.00 1.65 H new ATOM 0 HD3 LYS A 97 1.810 -3.966 -6.728 1.00 1.65 H new ATOM 0 HE2 LYS A 97 0.748 -2.006 -4.650 1.00 1.73 H new ATOM 0 HE3 LYS A 97 1.514 -1.581 -6.167 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -0.737 -1.437 -6.620 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -0.344 -2.974 -7.226 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.129 -2.827 -5.728 1.00 1.59 H new ATOM 1293 N GLY A 98 1.362 -5.024 -0.386 1.00 0.51 N ATOM 1294 CA GLY A 98 1.197 -4.585 0.988 1.00 0.52 C ATOM 1295 C GLY A 98 2.524 -4.333 1.654 1.00 0.43 C ATOM 1296 O GLY A 98 2.701 -3.323 2.338 1.00 0.48 O ATOM 0 H GLY A 98 1.148 -6.008 -0.548 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.600 -3.673 1.010 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.646 -5.341 1.548 1.00 0.52 H new ATOM 1300 N TYR A 99 3.461 -5.251 1.449 1.00 0.35 N ATOM 1301 CA TYR A 99 4.829 -5.047 1.898 1.00 0.29 C ATOM 1302 C TYR A 99 5.368 -3.765 1.264 1.00 0.31 C ATOM 1303 O TYR A 99 5.996 -2.934 1.919 1.00 0.32 O ATOM 1304 CB TYR A 99 5.736 -6.207 1.470 1.00 0.30 C ATOM 1305 CG TYR A 99 5.436 -7.569 2.073 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.264 -7.741 3.444 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.377 -8.701 1.262 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.041 -8.991 3.979 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.164 -9.956 1.799 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.000 -10.090 3.155 1.00 0.72 C ATOM 1311 OH TYR A 99 4.803 -11.332 3.692 1.00 0.92 O ATOM 0 H TYR A 99 3.298 -6.140 0.976 1.00 0.35 H new ATOM 0 HA TYR A 99 4.825 -4.984 2.986 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.684 -6.297 0.385 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.764 -5.944 1.719 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.306 -6.882 4.098 1.00 0.64 H new ATOM 0 HD2 TYR A 99 5.500 -8.595 0.194 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.899 -9.107 5.043 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.127 -10.824 1.157 1.00 1.11 H new ATOM 0 HH TYR A 99 3.960 -11.343 4.191 1.00 0.92 H new ATOM 1321 N TYR A 100 5.080 -3.623 -0.027 1.00 0.34 N ATOM 1322 CA TYR A 100 5.535 -2.493 -0.827 1.00 0.37 C ATOM 1323 C TYR A 100 4.944 -1.180 -0.304 1.00 0.39 C ATOM 1324 O TYR A 100 5.580 -0.129 -0.375 1.00 0.42 O ATOM 1325 CB TYR A 100 5.116 -2.720 -2.282 1.00 0.42 C ATOM 1326 CG TYR A 100 6.001 -2.066 -3.319 1.00 0.43 C ATOM 1327 CD1 TYR A 100 7.169 -2.687 -3.746 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.656 -0.852 -3.900 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.967 -2.119 -4.721 1.00 0.55 C ATOM 1330 CE2 TYR A 100 6.453 -0.275 -4.870 1.00 0.60 C ATOM 1331 CZ TYR A 100 7.604 -0.914 -5.278 1.00 0.60 C ATOM 1332 OH TYR A 100 8.391 -0.352 -6.253 1.00 0.73 O ATOM 0 H TYR A 100 4.519 -4.296 -0.550 1.00 0.34 H new ATOM 0 HA TYR A 100 6.620 -2.419 -0.760 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.093 -3.793 -2.473 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.099 -2.351 -2.412 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.458 -3.631 -3.308 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.751 -0.352 -3.589 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.869 -2.617 -5.044 1.00 0.55 H new ATOM 0 HE2 TYR A 100 6.175 0.673 -5.307 1.00 0.60 H new ATOM 0 HH TYR A 100 8.925 -1.051 -6.685 1.00 0.73 H new ATOM 1342 N ARG A 101 3.722 -1.248 0.218 1.00 0.41 N ATOM 1343 CA ARG A 101 3.068 -0.076 0.787 1.00 0.46 C ATOM 1344 C ARG A 101 3.756 0.347 2.079 1.00 0.43 C ATOM 1345 O ARG A 101 3.992 1.534 2.300 1.00 0.46 O ATOM 1346 CB ARG A 101 1.579 -0.340 1.056 1.00 0.53 C ATOM 1347 CG ARG A 101 0.740 -0.596 -0.193 1.00 0.82 C ATOM 1348 CD ARG A 101 0.500 0.662 -1.020 1.00 1.06 C ATOM 1349 NE ARG A 101 1.716 1.174 -1.655 1.00 1.18 N ATOM 1350 CZ ARG A 101 1.813 1.458 -2.956 1.00 1.58 C ATOM 1351 NH1 ARG A 101 0.811 1.179 -3.787 1.00 2.34 N ATOM 1352 NH2 ARG A 101 2.920 2.008 -3.438 1.00 1.89 N ATOM 0 H ARG A 101 3.166 -2.102 0.258 1.00 0.41 H new ATOM 0 HA ARG A 101 3.148 0.730 0.057 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.491 -1.201 1.719 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.163 0.516 1.588 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.239 -1.341 -0.812 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.221 -1.018 0.102 1.00 0.82 H new ATOM 0 HD2 ARG A 101 -0.242 0.447 -1.790 1.00 1.06 H new ATOM 0 HD3 ARG A 101 0.079 1.436 -0.379 1.00 1.06 H new ATOM 0 HE ARG A 101 2.537 1.322 -1.069 1.00 1.18 H new ATOM 0 HH11 ARG A 101 -0.041 0.744 -3.431 1.00 2.34 H new ATOM 0 HH12 ARG A 101 0.895 1.400 -4.779 1.00 2.34 H new ATOM 0 HH21 ARG A 101 3.700 2.215 -2.814 1.00 1.89 H new ATOM 0 HH22 ARG A 101 2.991 2.224 -4.432 1.00 1.89 H new ATOM 1366 N ARG A 102 4.092 -0.626 2.926 1.00 0.41 N ATOM 1367 CA ARG A 102 4.760 -0.325 4.188 1.00 0.43 C ATOM 1368 C ARG A 102 6.171 0.184 3.929 1.00 0.37 C ATOM 1369 O ARG A 102 6.665 1.071 4.632 1.00 0.38 O ATOM 1370 CB ARG A 102 4.801 -1.541 5.116 1.00 0.52 C ATOM 1371 CG ARG A 102 5.312 -1.195 6.506 1.00 0.87 C ATOM 1372 CD ARG A 102 5.194 -2.358 7.474 1.00 1.12 C ATOM 1373 NE ARG A 102 6.112 -3.442 7.158 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.332 -4.486 7.947 1.00 2.58 C ATOM 1375 NH1 ARG A 102 5.737 -4.574 9.133 1.00 2.78 N ATOM 1376 NH2 ARG A 102 7.164 -5.437 7.554 1.00 3.57 N ATOM 0 H ARG A 102 3.915 -1.617 2.763 1.00 0.41 H new ATOM 0 HA ARG A 102 4.182 0.452 4.688 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.801 -1.967 5.196 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.440 -2.307 4.678 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.355 -0.886 6.440 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.752 -0.345 6.895 1.00 0.87 H new ATOM 0 HD2 ARG A 102 5.389 -2.005 8.487 1.00 1.12 H new ATOM 0 HD3 ARG A 102 4.172 -2.736 7.460 1.00 1.12 H new ATOM 0 HE ARG A 102 6.619 -3.396 6.274 1.00 1.87 H new ATOM 0 HH11 ARG A 102 5.106 -3.835 9.443 1.00 2.78 H new ATOM 0 HH12 ARG A 102 5.912 -5.380 9.733 1.00 2.78 H new ATOM 0 HH21 ARG A 102 7.631 -5.364 6.650 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.338 -6.243 8.155 1.00 3.57 H new ATOM 1390 N ALA A 103 6.806 -0.371 2.911 1.00 0.34 N ATOM 1391 CA ALA A 103 8.109 0.099 2.482 1.00 0.32 C ATOM 1392 C ALA A 103 8.038 1.566 2.072 1.00 0.33 C ATOM 1393 O ALA A 103 8.960 2.337 2.328 1.00 0.35 O ATOM 1394 CB ALA A 103 8.619 -0.749 1.333 1.00 0.33 C ATOM 0 H ALA A 103 6.438 -1.150 2.365 1.00 0.34 H new ATOM 0 HA ALA A 103 8.804 0.009 3.317 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.598 -0.386 1.020 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.703 -1.787 1.656 1.00 0.33 H new ATOM 0 HB3 ALA A 103 7.923 -0.684 0.496 1.00 0.33 H new ATOM 1400 N ALA A 104 6.927 1.949 1.452 1.00 0.33 N ATOM 1401 CA ALA A 104 6.721 3.327 1.033 1.00 0.35 C ATOM 1402 C ALA A 104 6.595 4.252 2.240 1.00 0.35 C ATOM 1403 O ALA A 104 7.203 5.320 2.272 1.00 0.38 O ATOM 1404 CB ALA A 104 5.493 3.431 0.147 1.00 0.39 C ATOM 0 H ALA A 104 6.155 1.321 1.229 1.00 0.33 H new ATOM 0 HA ALA A 104 7.591 3.643 0.458 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.352 4.468 -0.159 1.00 0.39 H new ATOM 0 HB2 ALA A 104 5.628 2.807 -0.737 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.616 3.093 0.699 1.00 0.39 H new ATOM 1410 N SER A 105 5.803 3.841 3.228 1.00 0.34 N ATOM 1411 CA SER A 105 5.659 4.611 4.462 1.00 0.36 C ATOM 1412 C SER A 105 6.999 4.771 5.172 1.00 0.34 C ATOM 1413 O SER A 105 7.343 5.863 5.622 1.00 0.33 O ATOM 1414 CB SER A 105 4.632 3.947 5.378 1.00 0.40 C ATOM 1415 OG SER A 105 4.502 2.569 5.084 1.00 0.64 O ATOM 0 H SER A 105 5.253 2.983 3.199 1.00 0.34 H new ATOM 0 HA SER A 105 5.304 5.609 4.205 1.00 0.36 H new ATOM 0 HB2 SER A 105 4.933 4.073 6.418 1.00 0.40 H new ATOM 0 HB3 SER A 105 3.666 4.439 5.263 1.00 0.40 H new ATOM 0 HG SER A 105 5.353 2.116 5.258 1.00 0.64 H new ATOM 1421 N ASN A 106 7.763 3.688 5.246 1.00 0.36 N ATOM 1422 CA ASN A 106 9.082 3.720 5.870 1.00 0.37 C ATOM 1423 C ASN A 106 10.024 4.637 5.097 1.00 0.36 C ATOM 1424 O ASN A 106 10.687 5.493 5.681 1.00 0.37 O ATOM 1425 CB ASN A 106 9.674 2.309 5.960 1.00 0.40 C ATOM 1426 CG ASN A 106 9.161 1.535 7.160 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.915 2.108 8.220 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.990 0.230 7.005 1.00 1.32 N ATOM 0 H ASN A 106 7.492 2.775 4.881 1.00 0.36 H new ATOM 0 HA ASN A 106 8.966 4.113 6.880 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.435 1.760 5.049 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.760 2.378 6.014 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.643 -0.335 7.781 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.205 -0.210 6.110 1.00 1.32 H new ATOM 1435 N MET A 107 10.058 4.464 3.781 1.00 0.38 N ATOM 1436 CA MET A 107 10.903 5.277 2.905 1.00 0.40 C ATOM 1437 C MET A 107 10.557 6.759 3.042 1.00 0.40 C ATOM 1438 O MET A 107 11.442 7.608 3.166 1.00 0.45 O ATOM 1439 CB MET A 107 10.713 4.835 1.448 1.00 0.46 C ATOM 1440 CG MET A 107 12.007 4.508 0.723 1.00 0.44 C ATOM 1441 SD MET A 107 13.127 5.913 0.624 1.00 1.26 S ATOM 1442 CE MET A 107 14.460 5.188 -0.323 1.00 0.70 C ATOM 0 H MET A 107 9.505 3.761 3.290 1.00 0.38 H new ATOM 0 HA MET A 107 11.943 5.135 3.198 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.066 3.958 1.428 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.195 5.625 0.905 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.507 3.686 1.235 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.776 4.162 -0.284 1.00 0.44 H new ATOM 0 HE1 MET A 107 15.400 5.320 0.212 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.269 4.124 -0.465 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.524 5.678 -1.295 1.00 0.70 H new ATOM 1452 N ALA A 108 9.263 7.057 3.043 1.00 0.36 N ATOM 1453 CA ALA A 108 8.782 8.432 3.133 1.00 0.38 C ATOM 1454 C ALA A 108 9.158 9.075 4.467 1.00 0.39 C ATOM 1455 O ALA A 108 9.375 10.283 4.542 1.00 0.43 O ATOM 1456 CB ALA A 108 7.274 8.473 2.933 1.00 0.38 C ATOM 0 H ALA A 108 8.522 6.359 2.982 1.00 0.36 H new ATOM 0 HA ALA A 108 9.265 9.007 2.343 1.00 0.38 H new ATOM 0 HB1 ALA A 108 6.926 9.504 3.002 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.026 8.071 1.950 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.788 7.873 3.703 1.00 0.38 H new ATOM 1462 N LEU A 109 9.227 8.263 5.515 1.00 0.38 N ATOM 1463 CA LEU A 109 9.587 8.753 6.843 1.00 0.40 C ATOM 1464 C LEU A 109 11.089 8.969 6.962 1.00 0.43 C ATOM 1465 O LEU A 109 11.550 9.753 7.790 1.00 0.65 O ATOM 1466 CB LEU A 109 9.122 7.767 7.917 1.00 0.38 C ATOM 1467 CG LEU A 109 7.608 7.663 8.091 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.256 6.488 8.985 1.00 0.75 C ATOM 1469 CD2 LEU A 109 7.049 8.954 8.666 1.00 0.82 C ATOM 0 H LEU A 109 9.039 7.261 5.472 1.00 0.38 H new ATOM 0 HA LEU A 109 9.088 9.711 6.991 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.513 6.779 7.674 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.562 8.058 8.871 1.00 0.38 H new ATOM 0 HG LEU A 109 7.159 7.498 7.112 1.00 0.48 H new ATOM 0 HD11 LEU A 109 6.174 6.429 9.098 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.625 5.566 8.536 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.716 6.625 9.964 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.969 8.862 8.783 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.505 9.147 9.637 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.272 9.780 7.990 1.00 0.82 H new ATOM 1481 N GLY A 110 11.848 8.273 6.131 1.00 0.39 N ATOM 1482 CA GLY A 110 13.293 8.359 6.198 1.00 0.41 C ATOM 1483 C GLY A 110 13.903 7.089 6.745 1.00 0.39 C ATOM 1484 O GLY A 110 15.117 6.997 6.934 1.00 0.47 O ATOM 0 H GLY A 110 11.489 7.648 5.409 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.693 8.556 5.203 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.579 9.201 6.828 1.00 0.41 H new ATOM 1488 N LYS A 111 13.052 6.104 6.997 1.00 0.36 N ATOM 1489 CA LYS A 111 13.492 4.812 7.497 1.00 0.38 C ATOM 1490 C LYS A 111 13.961 3.946 6.338 1.00 0.30 C ATOM 1491 O LYS A 111 13.277 3.007 5.929 1.00 0.32 O ATOM 1492 CB LYS A 111 12.361 4.114 8.258 1.00 0.53 C ATOM 1493 CG LYS A 111 11.902 4.866 9.493 1.00 0.74 C ATOM 1494 CD LYS A 111 10.709 4.192 10.152 1.00 0.54 C ATOM 1495 CE LYS A 111 10.250 4.961 11.381 1.00 1.22 C ATOM 1496 NZ LYS A 111 9.092 4.313 12.052 1.00 1.73 N ATOM 0 H LYS A 111 12.044 6.178 6.861 1.00 0.36 H new ATOM 0 HA LYS A 111 14.322 4.966 8.187 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.512 3.981 7.588 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.693 3.118 8.552 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.724 4.930 10.206 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.637 5.887 9.220 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.889 4.120 9.438 1.00 0.54 H new ATOM 0 HD3 LYS A 111 10.975 3.174 10.436 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.077 5.042 12.086 1.00 1.22 H new ATOM 0 HE3 LYS A 111 9.978 5.976 11.091 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 8.815 4.873 12.884 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 8.292 4.259 11.389 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.358 3.354 12.353 1.00 1.73 H new ATOM 1510 N PHE A 112 15.123 4.286 5.802 1.00 0.30 N ATOM 1511 CA PHE A 112 15.656 3.619 4.623 1.00 0.29 C ATOM 1512 C PHE A 112 15.965 2.151 4.899 1.00 0.30 C ATOM 1513 O PHE A 112 15.780 1.301 4.032 1.00 0.34 O ATOM 1514 CB PHE A 112 16.914 4.335 4.132 1.00 0.35 C ATOM 1515 CG PHE A 112 16.712 5.803 3.887 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.807 6.243 2.936 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.425 6.742 4.614 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.618 7.593 2.715 1.00 0.48 C ATOM 1519 CE2 PHE A 112 17.240 8.093 4.397 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.335 8.519 3.447 1.00 0.53 C ATOM 0 H PHE A 112 15.720 5.027 6.169 1.00 0.30 H new ATOM 0 HA PHE A 112 14.892 3.660 3.847 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.708 4.204 4.868 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.253 3.864 3.209 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.243 5.523 2.361 1.00 0.41 H new ATOM 0 HD2 PHE A 112 18.134 6.414 5.359 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.910 7.925 1.970 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.803 8.815 4.970 1.00 0.54 H new ATOM 0 HZ PHE A 112 16.187 9.575 3.276 1.00 0.53 H new ATOM 1530 N ARG A 113 16.420 1.843 6.107 1.00 0.34 N ATOM 1531 CA ARG A 113 16.750 0.464 6.437 1.00 0.38 C ATOM 1532 C ARG A 113 15.479 -0.324 6.723 1.00 0.34 C ATOM 1533 O ARG A 113 15.387 -1.511 6.413 1.00 0.34 O ATOM 1534 CB ARG A 113 17.699 0.386 7.633 1.00 0.49 C ATOM 1535 CG ARG A 113 18.248 -1.015 7.866 1.00 1.21 C ATOM 1536 CD ARG A 113 19.141 -1.449 6.716 1.00 1.58 C ATOM 1537 NE ARG A 113 19.285 -2.903 6.638 1.00 2.42 N ATOM 1538 CZ ARG A 113 20.425 -3.529 6.340 1.00 3.14 C ATOM 1539 NH1 ARG A 113 21.566 -2.850 6.283 1.00 3.25 N ATOM 1540 NH2 ARG A 113 20.429 -4.843 6.151 1.00 4.15 N ATOM 0 H ARG A 113 16.567 2.515 6.860 1.00 0.34 H new ATOM 0 HA ARG A 113 17.259 0.027 5.578 1.00 0.38 H new ATOM 0 HB2 ARG A 113 18.529 1.074 7.476 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.174 0.718 8.529 1.00 0.49 H new ATOM 0 HG2 ARG A 113 18.813 -1.038 8.798 1.00 1.21 H new ATOM 0 HG3 ARG A 113 17.423 -1.719 7.976 1.00 1.21 H new ATOM 0 HD2 ARG A 113 18.728 -1.077 5.779 1.00 1.58 H new ATOM 0 HD3 ARG A 113 20.125 -0.995 6.833 1.00 1.58 H new ATOM 0 HE ARG A 113 18.461 -3.475 6.823 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.572 -1.847 6.467 1.00 3.25 H new ATOM 0 HH12 ARG A 113 22.435 -3.332 6.055 1.00 3.25 H new ATOM 0 HH21 ARG A 113 19.561 -5.373 6.234 1.00 4.15 H new ATOM 0 HH22 ARG A 113 21.300 -5.323 5.923 1.00 4.15 H new ATOM 1554 N ALA A 114 14.496 0.349 7.304 1.00 0.34 N ATOM 1555 CA ALA A 114 13.203 -0.267 7.564 1.00 0.34 C ATOM 1556 C ALA A 114 12.500 -0.580 6.250 1.00 0.28 C ATOM 1557 O ALA A 114 11.983 -1.683 6.047 1.00 0.30 O ATOM 1558 CB ALA A 114 12.348 0.639 8.434 1.00 0.40 C ATOM 0 H ALA A 114 14.569 1.321 7.604 1.00 0.34 H new ATOM 0 HA ALA A 114 13.359 -1.202 8.103 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.385 0.163 8.619 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.854 0.815 9.383 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.191 1.590 7.925 1.00 0.40 H new ATOM 1564 N ALA A 115 12.522 0.389 5.339 1.00 0.26 N ATOM 1565 CA ALA A 115 11.917 0.218 4.030 1.00 0.23 C ATOM 1566 C ALA A 115 12.652 -0.857 3.258 1.00 0.23 C ATOM 1567 O ALA A 115 12.055 -1.601 2.483 1.00 0.25 O ATOM 1568 CB ALA A 115 11.933 1.527 3.259 1.00 0.23 C ATOM 0 H ALA A 115 12.954 1.301 5.488 1.00 0.26 H new ATOM 0 HA ALA A 115 10.879 -0.088 4.162 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.476 1.379 2.281 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.373 2.281 3.811 1.00 0.23 H new ATOM 0 HB3 ALA A 115 12.963 1.861 3.131 1.00 0.23 H new ATOM 1574 N LEU A 116 13.956 -0.942 3.488 1.00 0.24 N ATOM 1575 CA LEU A 116 14.768 -1.963 2.858 1.00 0.28 C ATOM 1576 C LEU A 116 14.322 -3.348 3.295 1.00 0.29 C ATOM 1577 O LEU A 116 14.370 -4.281 2.513 1.00 0.30 O ATOM 1578 CB LEU A 116 16.249 -1.780 3.182 1.00 0.32 C ATOM 1579 CG LEU A 116 17.170 -2.743 2.434 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.044 -2.530 0.936 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.614 -2.578 2.881 1.00 0.49 C ATOM 0 H LEU A 116 14.469 -0.314 4.107 1.00 0.24 H new ATOM 0 HA LEU A 116 14.635 -1.863 1.781 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.539 -0.757 2.944 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.395 -1.912 4.254 1.00 0.32 H new ATOM 0 HG LEU A 116 16.864 -3.762 2.670 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.705 -3.222 0.413 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.014 -2.710 0.628 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.323 -1.506 0.689 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.247 -3.276 2.332 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.942 -1.558 2.683 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.690 -2.782 3.949 1.00 0.49 H new ATOM 1593 N ARG A 117 13.877 -3.472 4.543 1.00 0.34 N ATOM 1594 CA ARG A 117 13.400 -4.752 5.053 1.00 0.40 C ATOM 1595 C ARG A 117 12.166 -5.184 4.284 1.00 0.34 C ATOM 1596 O ARG A 117 12.019 -6.350 3.912 1.00 0.35 O ATOM 1597 CB ARG A 117 13.063 -4.668 6.544 1.00 0.57 C ATOM 1598 CG ARG A 117 14.265 -4.466 7.444 1.00 0.70 C ATOM 1599 CD ARG A 117 13.864 -4.528 8.907 1.00 1.01 C ATOM 1600 NE ARG A 117 15.012 -4.429 9.807 1.00 1.90 N ATOM 1601 CZ ARG A 117 14.961 -4.708 11.110 1.00 2.55 C ATOM 1602 NH1 ARG A 117 13.824 -5.122 11.661 1.00 2.45 N ATOM 1603 NH2 ARG A 117 16.048 -4.580 11.864 1.00 3.56 N ATOM 0 H ARG A 117 13.837 -2.706 5.215 1.00 0.34 H new ATOM 0 HA ARG A 117 14.197 -5.483 4.921 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.364 -3.846 6.701 1.00 0.57 H new ATOM 0 HB3 ARG A 117 12.551 -5.583 6.841 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.013 -5.231 7.235 1.00 0.70 H new ATOM 0 HG3 ARG A 117 14.726 -3.502 7.230 1.00 0.70 H new ATOM 0 HD2 ARG A 117 13.166 -3.719 9.124 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.337 -5.463 9.097 1.00 1.01 H new ATOM 0 HE ARG A 117 15.905 -4.129 9.415 1.00 1.90 H new ATOM 0 HH11 ARG A 117 12.988 -5.227 11.087 1.00 2.45 H new ATOM 0 HH12 ARG A 117 13.788 -5.335 12.658 1.00 2.45 H new ATOM 0 HH21 ARG A 117 16.925 -4.268 11.446 1.00 3.56 H new ATOM 0 HH22 ARG A 117 16.006 -4.794 12.860 1.00 3.56 H new ATOM 1617 N ASP A 118 11.292 -4.224 4.031 1.00 0.33 N ATOM 1618 CA ASP A 118 10.062 -4.488 3.307 1.00 0.33 C ATOM 1619 C ASP A 118 10.356 -4.782 1.844 1.00 0.28 C ATOM 1620 O ASP A 118 9.890 -5.782 1.298 1.00 0.31 O ATOM 1621 CB ASP A 118 9.108 -3.307 3.426 1.00 0.40 C ATOM 1622 CG ASP A 118 8.499 -3.194 4.804 1.00 0.63 C ATOM 1623 OD1 ASP A 118 7.668 -4.055 5.156 1.00 0.77 O ATOM 1624 OD2 ASP A 118 8.848 -2.249 5.542 1.00 1.06 O ATOM 0 H ASP A 118 11.413 -3.253 4.318 1.00 0.33 H new ATOM 0 HA ASP A 118 9.587 -5.364 3.748 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.643 -2.387 3.192 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.313 -3.410 2.688 1.00 0.40 H new ATOM 1629 N TYR A 119 11.154 -3.919 1.222 1.00 0.24 N ATOM 1630 CA TYR A 119 11.555 -4.108 -0.167 1.00 0.26 C ATOM 1631 C TYR A 119 12.317 -5.419 -0.339 1.00 0.28 C ATOM 1632 O TYR A 119 12.148 -6.119 -1.337 1.00 0.33 O ATOM 1633 CB TYR A 119 12.417 -2.936 -0.646 1.00 0.28 C ATOM 1634 CG TYR A 119 11.643 -1.658 -0.884 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.471 -1.661 -1.630 1.00 0.38 C ATOM 1636 CD2 TYR A 119 12.084 -0.448 -0.362 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.760 -0.496 -1.848 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.381 0.722 -0.576 1.00 0.47 C ATOM 1639 CZ TYR A 119 10.220 0.694 -1.320 1.00 0.50 C ATOM 1640 OH TYR A 119 9.516 1.858 -1.537 1.00 0.60 O ATOM 0 H TYR A 119 11.536 -3.081 1.660 1.00 0.24 H new ATOM 0 HA TYR A 119 10.650 -4.149 -0.773 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.195 -2.745 0.093 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.919 -3.222 -1.570 1.00 0.28 H new ATOM 0 HD1 TYR A 119 10.109 -2.589 -2.047 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.992 -0.422 0.221 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.849 -0.516 -2.428 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.739 1.654 -0.163 1.00 0.47 H new ATOM 0 HH TYR A 119 9.974 2.604 -1.097 1.00 0.60 H new ATOM 1650 N GLU A 120 13.144 -5.747 0.647 1.00 0.28 N ATOM 1651 CA GLU A 120 13.911 -6.984 0.636 1.00 0.34 C ATOM 1652 C GLU A 120 12.970 -8.175 0.652 1.00 0.37 C ATOM 1653 O GLU A 120 13.189 -9.163 -0.037 1.00 0.43 O ATOM 1654 CB GLU A 120 14.835 -7.049 1.852 1.00 0.36 C ATOM 1655 CG GLU A 120 15.990 -8.020 1.694 1.00 0.42 C ATOM 1656 CD GLU A 120 16.747 -8.238 2.987 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.301 -9.073 3.801 1.00 0.61 O ATOM 1658 OE2 GLU A 120 17.793 -7.586 3.192 1.00 0.58 O ATOM 0 H GLU A 120 13.300 -5.166 1.471 1.00 0.28 H new ATOM 0 HA GLU A 120 14.515 -7.009 -0.271 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.234 -6.053 2.047 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.250 -7.335 2.726 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.610 -8.976 1.334 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.675 -7.643 0.935 1.00 0.42 H new ATOM 1665 N THR A 121 11.917 -8.066 1.443 1.00 0.36 N ATOM 1666 CA THR A 121 10.922 -9.113 1.531 1.00 0.40 C ATOM 1667 C THR A 121 10.188 -9.266 0.201 1.00 0.40 C ATOM 1668 O THR A 121 9.971 -10.383 -0.277 1.00 0.45 O ATOM 1669 CB THR A 121 9.932 -8.823 2.669 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.644 -8.725 3.911 1.00 0.43 O ATOM 1671 CG2 THR A 121 8.882 -9.919 2.770 1.00 0.47 C ATOM 0 H THR A 121 11.731 -7.257 2.036 1.00 0.36 H new ATOM 0 HA THR A 121 11.428 -10.053 1.752 1.00 0.40 H new ATOM 0 HB THR A 121 9.427 -7.881 2.455 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.133 -7.876 3.942 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.194 -9.689 3.583 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.329 -9.980 1.833 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.370 -10.874 2.966 1.00 0.47 H new ATOM 1679 N VAL A 122 9.847 -8.138 -0.410 1.00 0.37 N ATOM 1680 CA VAL A 122 9.220 -8.143 -1.725 1.00 0.39 C ATOM 1681 C VAL A 122 10.117 -8.857 -2.735 1.00 0.44 C ATOM 1682 O VAL A 122 9.662 -9.719 -3.490 1.00 0.50 O ATOM 1683 CB VAL A 122 8.937 -6.709 -2.224 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.290 -6.731 -3.599 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.053 -5.962 -1.240 1.00 0.36 C ATOM 0 H VAL A 122 9.994 -7.209 -0.016 1.00 0.37 H new ATOM 0 HA VAL A 122 8.271 -8.671 -1.632 1.00 0.39 H new ATOM 0 HB VAL A 122 9.891 -6.187 -2.300 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.101 -5.709 -3.928 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.957 -7.223 -4.307 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.348 -7.277 -3.549 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.866 -4.954 -1.611 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.105 -6.489 -1.129 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.552 -5.906 -0.273 1.00 0.36 H new ATOM 1695 N VAL A 123 11.399 -8.517 -2.717 1.00 0.44 N ATOM 1696 CA VAL A 123 12.351 -9.074 -3.667 1.00 0.51 C ATOM 1697 C VAL A 123 12.801 -10.482 -3.248 1.00 0.57 C ATOM 1698 O VAL A 123 13.536 -11.150 -3.968 1.00 0.67 O ATOM 1699 CB VAL A 123 13.577 -8.145 -3.837 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.537 -8.270 -2.666 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.284 -8.408 -5.157 1.00 0.59 C ATOM 0 H VAL A 123 11.804 -7.857 -2.053 1.00 0.44 H new ATOM 0 HA VAL A 123 11.843 -9.152 -4.628 1.00 0.51 H new ATOM 0 HB VAL A 123 13.211 -7.118 -3.852 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.386 -7.604 -2.819 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.023 -7.998 -1.744 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.891 -9.298 -2.594 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.141 -7.741 -5.250 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.624 -9.443 -5.188 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.594 -8.228 -5.981 1.00 0.59 H new ATOM 1711 N LYS A 124 12.370 -10.929 -2.078 1.00 0.55 N ATOM 1712 CA LYS A 124 12.627 -12.300 -1.657 1.00 0.61 C ATOM 1713 C LYS A 124 11.500 -13.215 -2.116 1.00 0.63 C ATOM 1714 O LYS A 124 11.673 -14.432 -2.223 1.00 0.72 O ATOM 1715 CB LYS A 124 12.816 -12.394 -0.138 1.00 0.62 C ATOM 1716 CG LYS A 124 14.231 -12.055 0.315 1.00 0.67 C ATOM 1717 CD LYS A 124 14.395 -12.172 1.826 1.00 0.75 C ATOM 1718 CE LYS A 124 13.613 -11.097 2.559 1.00 0.67 C ATOM 1719 NZ LYS A 124 13.838 -11.137 4.026 1.00 1.07 N ATOM 0 H LYS A 124 11.845 -10.368 -1.407 1.00 0.55 H new ATOM 0 HA LYS A 124 13.556 -12.626 -2.125 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.114 -11.719 0.351 1.00 0.62 H new ATOM 0 HB3 LYS A 124 12.569 -13.404 0.190 1.00 0.62 H new ATOM 0 HG2 LYS A 124 14.938 -12.722 -0.178 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.478 -11.041 0.002 1.00 0.67 H new ATOM 0 HD2 LYS A 124 14.058 -13.155 2.154 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.451 -12.095 2.085 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.900 -10.118 2.176 1.00 0.67 H new ATOM 0 HE3 LYS A 124 12.550 -11.220 2.353 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 12.993 -10.780 4.517 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.022 -12.117 4.322 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 14.656 -10.543 4.268 1.00 1.07 H new ATOM 1733 N VAL A 125 10.346 -12.624 -2.397 1.00 0.59 N ATOM 1734 CA VAL A 125 9.212 -13.378 -2.911 1.00 0.63 C ATOM 1735 C VAL A 125 9.180 -13.342 -4.441 1.00 0.69 C ATOM 1736 O VAL A 125 8.864 -14.341 -5.088 1.00 0.75 O ATOM 1737 CB VAL A 125 7.872 -12.854 -2.348 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.705 -13.695 -2.855 1.00 0.66 C ATOM 1739 CG2 VAL A 125 7.901 -12.839 -0.826 1.00 0.59 C ATOM 0 H VAL A 125 10.171 -11.626 -2.278 1.00 0.59 H new ATOM 0 HA VAL A 125 9.340 -14.409 -2.581 1.00 0.63 H new ATOM 0 HB VAL A 125 7.731 -11.832 -2.700 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.772 -13.307 -2.445 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.670 -13.650 -3.944 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.838 -14.730 -2.539 1.00 0.66 H new ATOM 0 HG21 VAL A 125 6.949 -12.467 -0.448 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.069 -13.850 -0.455 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.706 -12.189 -0.484 1.00 0.59 H new ATOM 1749 N LYS A 126 9.513 -12.192 -5.020 1.00 0.68 N ATOM 1750 CA LYS A 126 9.563 -12.054 -6.476 1.00 0.76 C ATOM 1751 C LYS A 126 10.792 -11.249 -6.914 1.00 0.75 C ATOM 1752 O LYS A 126 10.705 -10.078 -7.276 1.00 0.73 O ATOM 1753 CB LYS A 126 8.263 -11.434 -7.000 1.00 0.80 C ATOM 1754 CG LYS A 126 7.524 -10.630 -5.947 1.00 0.73 C ATOM 1755 CD LYS A 126 7.625 -9.142 -6.193 1.00 0.71 C ATOM 1756 CE LYS A 126 6.474 -8.652 -7.067 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.539 -7.193 -7.338 1.00 1.12 N ATOM 0 H LYS A 126 9.752 -11.343 -4.507 1.00 0.68 H new ATOM 0 HA LYS A 126 9.659 -13.048 -6.913 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.491 -10.789 -7.849 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.611 -12.226 -7.368 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.475 -10.925 -5.937 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.930 -10.863 -4.963 1.00 0.73 H new ATOM 0 HD2 LYS A 126 7.615 -8.611 -5.241 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.575 -8.913 -6.675 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.486 -9.194 -8.013 1.00 0.73 H new ATOM 0 HE3 LYS A 126 5.528 -8.885 -6.578 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.707 -6.905 -7.892 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 6.552 -6.673 -6.437 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.404 -6.978 -7.874 1.00 1.12 H new ATOM 1771 N PRO A 127 11.963 -11.901 -6.852 1.00 0.80 N ATOM 1772 CA PRO A 127 13.257 -11.300 -7.196 1.00 0.83 C ATOM 1773 C PRO A 127 13.496 -11.200 -8.697 1.00 0.92 C ATOM 1774 O PRO A 127 14.447 -10.558 -9.145 1.00 0.96 O ATOM 1775 CB PRO A 127 14.270 -12.258 -6.574 1.00 0.87 C ATOM 1776 CG PRO A 127 13.573 -13.572 -6.490 1.00 0.97 C ATOM 1777 CD PRO A 127 12.098 -13.286 -6.392 1.00 0.86 C ATOM 0 HA PRO A 127 13.322 -10.274 -6.833 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.170 -12.329 -7.185 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.581 -11.915 -5.587 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.790 -14.180 -7.368 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.915 -14.134 -5.621 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.519 -13.969 -7.013 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.738 -13.402 -5.370 1.00 0.86 H new ATOM 1785 N HIS A 128 12.649 -11.847 -9.476 1.00 0.99 N ATOM 1786 CA HIS A 128 12.760 -11.783 -10.924 1.00 1.12 C ATOM 1787 C HIS A 128 11.853 -10.687 -11.437 1.00 1.04 C ATOM 1788 O HIS A 128 11.697 -10.492 -12.642 1.00 1.11 O ATOM 1789 CB HIS A 128 12.401 -13.127 -11.569 1.00 1.33 C ATOM 1790 CG HIS A 128 13.372 -14.224 -11.252 1.00 2.00 C ATOM 1791 ND1 HIS A 128 13.465 -15.385 -11.986 1.00 2.75 N ATOM 1792 CD2 HIS A 128 14.293 -14.334 -10.264 1.00 2.49 C ATOM 1793 CE1 HIS A 128 14.400 -16.156 -11.466 1.00 3.56 C ATOM 1794 NE2 HIS A 128 14.914 -15.540 -10.421 1.00 3.37 N ATOM 0 H HIS A 128 11.879 -12.421 -9.133 1.00 0.99 H new ATOM 0 HA HIS A 128 13.793 -11.561 -11.192 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.407 -13.426 -11.236 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.350 -12.999 -12.650 1.00 1.33 H new ATOM 0 HD2 HIS A 128 14.498 -13.604 -9.495 1.00 2.49 H new ATOM 0 HE1 HIS A 128 14.694 -17.128 -11.834 1.00 3.56 H new ATOM 0 HE2 HIS A 128 15.657 -15.905 -9.825 1.00 3.37 H new ATOM 1803 N ASP A 129 11.257 -9.976 -10.497 1.00 0.92 N ATOM 1804 CA ASP A 129 10.377 -8.870 -10.810 1.00 0.89 C ATOM 1805 C ASP A 129 11.097 -7.534 -10.669 1.00 0.83 C ATOM 1806 O ASP A 129 11.636 -7.209 -9.611 1.00 0.80 O ATOM 1807 CB ASP A 129 9.156 -8.900 -9.907 1.00 0.89 C ATOM 1808 CG ASP A 129 8.305 -7.670 -10.080 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.647 -7.533 -11.129 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.313 -6.819 -9.175 1.00 1.11 O ATOM 0 H ASP A 129 11.370 -10.150 -9.498 1.00 0.92 H new ATOM 0 HA ASP A 129 10.060 -8.977 -11.847 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.562 -9.787 -10.127 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.474 -8.979 -8.867 1.00 0.89 H new ATOM 1815 N LYS A 130 11.086 -6.767 -11.749 1.00 0.85 N ATOM 1816 CA LYS A 130 11.738 -5.461 -11.805 1.00 0.89 C ATOM 1817 C LYS A 130 11.138 -4.453 -10.826 1.00 0.84 C ATOM 1818 O LYS A 130 11.806 -3.501 -10.442 1.00 0.84 O ATOM 1819 CB LYS A 130 11.705 -4.884 -13.236 1.00 1.04 C ATOM 1820 CG LYS A 130 10.392 -5.088 -14.007 1.00 1.18 C ATOM 1821 CD LYS A 130 9.219 -4.338 -13.387 1.00 1.44 C ATOM 1822 CE LYS A 130 7.919 -4.599 -14.133 1.00 2.28 C ATOM 1823 NZ LYS A 130 6.743 -4.040 -13.411 1.00 3.05 N ATOM 0 H LYS A 130 10.622 -7.032 -12.618 1.00 0.85 H new ATOM 0 HA LYS A 130 12.773 -5.629 -11.507 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.910 -3.815 -13.182 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.515 -5.336 -13.809 1.00 1.04 H new ATOM 0 HG2 LYS A 130 10.526 -4.756 -15.037 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.159 -6.152 -14.043 1.00 1.18 H new ATOM 0 HD2 LYS A 130 9.106 -4.638 -12.345 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.430 -3.269 -13.389 1.00 1.44 H new ATOM 0 HE2 LYS A 130 7.977 -4.159 -15.128 1.00 2.28 H new ATOM 0 HE3 LYS A 130 7.786 -5.673 -14.267 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 5.901 -4.102 -14.018 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.581 -4.582 -12.538 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 6.924 -3.044 -13.171 1.00 3.05 H new ATOM 1837 N ASP A 131 9.894 -4.660 -10.415 1.00 0.86 N ATOM 1838 CA ASP A 131 9.210 -3.687 -9.572 1.00 0.90 C ATOM 1839 C ASP A 131 9.659 -3.854 -8.135 1.00 0.77 C ATOM 1840 O ASP A 131 9.872 -2.877 -7.413 1.00 0.80 O ATOM 1841 CB ASP A 131 7.696 -3.850 -9.683 1.00 1.05 C ATOM 1842 CG ASP A 131 6.938 -2.844 -8.845 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.973 -1.644 -9.188 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.283 -3.258 -7.862 1.00 1.82 O ATOM 0 H ASP A 131 9.342 -5.485 -10.649 1.00 0.86 H new ATOM 0 HA ASP A 131 9.467 -2.683 -9.910 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.399 -3.745 -10.726 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.419 -4.858 -9.373 1.00 1.05 H new ATOM 1849 N ALA A 132 9.816 -5.109 -7.741 1.00 0.69 N ATOM 1850 CA ALA A 132 10.380 -5.441 -6.449 1.00 0.62 C ATOM 1851 C ALA A 132 11.816 -4.955 -6.373 1.00 0.59 C ATOM 1852 O ALA A 132 12.205 -4.287 -5.416 1.00 0.56 O ATOM 1853 CB ALA A 132 10.322 -6.944 -6.217 1.00 0.65 C ATOM 0 H ALA A 132 9.557 -5.918 -8.306 1.00 0.69 H new ATOM 0 HA ALA A 132 9.796 -4.947 -5.672 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.749 -7.178 -5.242 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.285 -7.277 -6.248 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.890 -7.454 -6.995 1.00 0.65 H new ATOM 1859 N LYS A 133 12.593 -5.281 -7.405 1.00 0.63 N ATOM 1860 CA LYS A 133 13.995 -4.900 -7.446 1.00 0.66 C ATOM 1861 C LYS A 133 14.145 -3.392 -7.448 1.00 0.65 C ATOM 1862 O LYS A 133 14.851 -2.851 -6.617 1.00 0.63 O ATOM 1863 CB LYS A 133 14.711 -5.469 -8.673 1.00 0.74 C ATOM 1864 CG LYS A 133 14.620 -6.976 -8.800 1.00 0.75 C ATOM 1865 CD LYS A 133 15.712 -7.526 -9.702 1.00 0.95 C ATOM 1866 CE LYS A 133 15.623 -6.945 -11.103 1.00 1.21 C ATOM 1867 NZ LYS A 133 16.600 -7.578 -12.021 1.00 1.93 N ATOM 0 H LYS A 133 12.273 -5.806 -8.219 1.00 0.63 H new ATOM 0 HA LYS A 133 14.455 -5.317 -6.550 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.290 -5.014 -9.569 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.762 -5.181 -8.633 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.699 -7.431 -7.813 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.644 -7.250 -9.200 1.00 0.75 H new ATOM 0 HD2 LYS A 133 16.688 -7.298 -9.274 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.632 -8.612 -9.752 1.00 0.95 H new ATOM 0 HE2 LYS A 133 14.614 -7.085 -11.492 1.00 1.21 H new ATOM 0 HE3 LYS A 133 15.803 -5.871 -11.064 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 16.510 -7.157 -12.968 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 17.564 -7.423 -11.663 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.412 -8.599 -12.078 1.00 1.93 H new ATOM 1881 N MET A 134 13.452 -2.725 -8.364 1.00 0.68 N ATOM 1882 CA MET A 134 13.624 -1.287 -8.585 1.00 0.72 C ATOM 1883 C MET A 134 13.736 -0.507 -7.279 1.00 0.65 C ATOM 1884 O MET A 134 14.684 0.251 -7.089 1.00 0.68 O ATOM 1885 CB MET A 134 12.463 -0.734 -9.409 1.00 0.78 C ATOM 1886 CG MET A 134 12.555 0.762 -9.658 1.00 0.84 C ATOM 1887 SD MET A 134 11.213 1.372 -10.698 1.00 0.97 S ATOM 1888 CE MET A 134 11.464 0.398 -12.181 1.00 1.61 C ATOM 0 H MET A 134 12.758 -3.159 -8.973 1.00 0.68 H new ATOM 0 HA MET A 134 14.560 -1.161 -9.129 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.429 -1.252 -10.367 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.527 -0.952 -8.895 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.539 1.288 -8.703 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.510 0.990 -10.131 1.00 0.84 H new ATOM 0 HE1 MET A 134 10.970 0.883 -13.023 1.00 1.61 H new ATOM 0 HE2 MET A 134 12.531 0.315 -12.385 1.00 1.61 H new ATOM 0 HE3 MET A 134 11.044 -0.597 -12.038 1.00 1.61 H new ATOM 1898 N LYS A 135 12.785 -0.708 -6.381 1.00 0.59 N ATOM 1899 CA LYS A 135 12.785 0.009 -5.116 1.00 0.54 C ATOM 1900 C LYS A 135 13.630 -0.708 -4.064 1.00 0.48 C ATOM 1901 O LYS A 135 14.120 -0.075 -3.130 1.00 0.46 O ATOM 1902 CB LYS A 135 11.358 0.225 -4.622 1.00 0.54 C ATOM 1903 CG LYS A 135 10.759 1.566 -5.038 1.00 0.65 C ATOM 1904 CD LYS A 135 10.692 1.721 -6.551 1.00 0.76 C ATOM 1905 CE LYS A 135 10.011 3.022 -6.950 1.00 1.05 C ATOM 1906 NZ LYS A 135 10.854 4.220 -6.677 1.00 1.94 N ATOM 0 H LYS A 135 12.008 -1.357 -6.503 1.00 0.59 H new ATOM 0 HA LYS A 135 13.240 0.985 -5.285 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.726 -0.578 -5.002 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.345 0.153 -3.534 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.757 1.660 -4.620 1.00 0.65 H new ATOM 0 HG3 LYS A 135 11.356 2.375 -4.618 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.700 1.695 -6.965 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.149 0.879 -6.980 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.767 2.989 -8.012 1.00 1.05 H new ATOM 0 HE3 LYS A 135 9.069 3.115 -6.409 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 10.247 5.014 -6.389 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 11.527 4.004 -5.914 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 11.378 4.479 -7.537 1.00 1.94 H new ATOM 1920 N TYR A 136 13.807 -2.020 -4.216 1.00 0.48 N ATOM 1921 CA TYR A 136 14.746 -2.760 -3.373 1.00 0.46 C ATOM 1922 C TYR A 136 16.126 -2.151 -3.494 1.00 0.47 C ATOM 1923 O TYR A 136 16.723 -1.729 -2.515 1.00 0.48 O ATOM 1924 CB TYR A 136 14.833 -4.239 -3.782 1.00 0.48 C ATOM 1925 CG TYR A 136 15.991 -4.971 -3.125 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.008 -5.210 -1.756 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.078 -5.405 -3.878 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.075 -5.860 -1.157 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.145 -6.059 -3.287 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.140 -6.284 -1.927 1.00 0.54 C ATOM 1931 OH TYR A 136 19.206 -6.926 -1.334 1.00 0.59 O ATOM 0 H TYR A 136 13.318 -2.588 -4.908 1.00 0.48 H new ATOM 0 HA TYR A 136 14.383 -2.700 -2.347 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.900 -4.738 -3.520 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.937 -4.305 -4.865 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.176 -4.884 -1.149 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.089 -5.228 -4.943 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.074 -6.035 -0.091 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.978 -6.392 -3.889 1.00 0.57 H new ATOM 0 HH TYR A 136 19.869 -7.159 -2.017 1.00 0.59 H new ATOM 1941 N GLN A 137 16.597 -2.091 -4.727 1.00 0.49 N ATOM 1942 CA GLN A 137 17.939 -1.642 -5.042 1.00 0.51 C ATOM 1943 C GLN A 137 18.052 -0.157 -4.776 1.00 0.53 C ATOM 1944 O GLN A 137 19.104 0.341 -4.389 1.00 0.57 O ATOM 1945 CB GLN A 137 18.233 -1.941 -6.509 1.00 0.55 C ATOM 1946 CG GLN A 137 17.596 -3.239 -6.978 1.00 0.61 C ATOM 1947 CD GLN A 137 17.822 -3.531 -8.437 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.129 -3.006 -9.309 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.734 -4.432 -8.704 1.00 1.24 N ATOM 0 H GLN A 137 16.051 -2.356 -5.547 1.00 0.49 H new ATOM 0 HA GLN A 137 18.663 -2.165 -4.417 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.869 -1.118 -7.124 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.312 -1.996 -6.656 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.993 -4.063 -6.386 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.524 -3.197 -6.787 1.00 0.61 H new ATOM 0 HE21 GLN A 137 19.285 -4.840 -7.948 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.894 -4.726 -9.668 1.00 1.24 H new ATOM 1958 N GLU A 138 16.945 0.536 -4.983 1.00 0.53 N ATOM 1959 CA GLU A 138 16.852 1.956 -4.710 1.00 0.57 C ATOM 1960 C GLU A 138 17.069 2.240 -3.224 1.00 0.54 C ATOM 1961 O GLU A 138 17.874 3.093 -2.860 1.00 0.60 O ATOM 1962 CB GLU A 138 15.490 2.463 -5.181 1.00 0.60 C ATOM 1963 CG GLU A 138 15.076 3.800 -4.594 1.00 0.69 C ATOM 1964 CD GLU A 138 13.868 4.381 -5.291 1.00 1.33 C ATOM 1965 OE1 GLU A 138 12.731 4.097 -4.865 1.00 2.04 O ATOM 1966 OE2 GLU A 138 14.058 5.118 -6.282 1.00 1.46 O ATOM 0 H GLU A 138 16.084 0.126 -5.346 1.00 0.53 H new ATOM 0 HA GLU A 138 17.635 2.484 -5.254 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.504 2.547 -6.268 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.733 1.720 -4.928 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.857 3.677 -3.533 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.908 4.500 -4.668 1.00 0.69 H new ATOM 1973 N CYS A 139 16.371 1.504 -2.372 1.00 0.47 N ATOM 1974 CA CYS A 139 16.536 1.663 -0.935 1.00 0.44 C ATOM 1975 C CYS A 139 17.879 1.077 -0.510 1.00 0.43 C ATOM 1976 O CYS A 139 18.561 1.619 0.360 1.00 0.42 O ATOM 1977 CB CYS A 139 15.398 0.972 -0.177 1.00 0.42 C ATOM 1978 SG CYS A 139 14.880 1.829 1.329 1.00 1.06 S ATOM 0 H CYS A 139 15.690 0.796 -2.648 1.00 0.47 H new ATOM 0 HA CYS A 139 16.509 2.726 -0.694 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.539 0.878 -0.841 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.712 -0.039 0.084 1.00 0.42 H new ATOM 0 HG CYS A 139 15.446 1.276 2.360 1.00 1.06 H new ATOM 1984 N ASN A 140 18.259 -0.017 -1.163 1.00 0.45 N ATOM 1985 CA ASN A 140 19.511 -0.709 -0.877 1.00 0.48 C ATOM 1986 C ASN A 140 20.696 0.216 -1.097 1.00 0.52 C ATOM 1987 O ASN A 140 21.523 0.395 -0.205 1.00 0.54 O ATOM 1988 CB ASN A 140 19.637 -1.959 -1.765 1.00 0.52 C ATOM 1989 CG ASN A 140 20.817 -2.835 -1.396 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.239 -2.883 -0.240 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.360 -3.538 -2.377 1.00 1.13 N ATOM 0 H ASN A 140 17.708 -0.448 -1.905 1.00 0.45 H new ATOM 0 HA ASN A 140 19.507 -1.017 0.168 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.720 -2.544 -1.690 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.733 -1.650 -2.806 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.157 -4.146 -2.188 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.982 -3.471 -3.322 1.00 1.13 H new ATOM 1998 N LYS A 141 20.759 0.826 -2.279 1.00 0.56 N ATOM 1999 CA LYS A 141 21.837 1.751 -2.599 1.00 0.63 C ATOM 2000 C LYS A 141 21.818 2.945 -1.656 1.00 0.60 C ATOM 2001 O LYS A 141 22.869 3.461 -1.300 1.00 0.65 O ATOM 2002 CB LYS A 141 21.746 2.245 -4.046 1.00 0.70 C ATOM 2003 CG LYS A 141 20.487 3.035 -4.331 1.00 0.69 C ATOM 2004 CD LYS A 141 20.557 3.756 -5.659 1.00 0.81 C ATOM 2005 CE LYS A 141 19.214 4.382 -6.004 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.207 5.004 -7.354 1.00 1.15 N ATOM 0 H LYS A 141 20.078 0.695 -3.027 1.00 0.56 H new ATOM 0 HA LYS A 141 22.774 1.207 -2.478 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.614 2.867 -4.266 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.789 1.388 -4.718 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.629 2.363 -4.329 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.326 3.760 -3.533 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.324 4.529 -5.618 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.850 3.057 -6.443 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.437 3.619 -5.955 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.966 5.137 -5.258 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.271 5.416 -7.542 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.929 5.751 -7.396 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.416 4.280 -8.071 1.00 1.15 H new ATOM 2020 N ILE A 142 20.625 3.376 -1.241 1.00 0.54 N ATOM 2021 CA ILE A 142 20.514 4.525 -0.354 1.00 0.52 C ATOM 2022 C ILE A 142 21.056 4.205 1.035 1.00 0.49 C ATOM 2023 O ILE A 142 21.658 5.059 1.694 1.00 0.51 O ATOM 2024 CB ILE A 142 19.083 5.084 -0.281 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.751 5.751 -1.617 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.964 6.083 0.860 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.410 6.450 -1.644 1.00 0.60 C ATOM 0 H ILE A 142 19.736 2.950 -1.503 1.00 0.54 H new ATOM 0 HA ILE A 142 21.132 5.312 -0.786 1.00 0.52 H new ATOM 0 HB ILE A 142 18.378 4.275 -0.091 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.531 6.475 -1.852 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.770 4.995 -2.402 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.946 6.470 0.900 1.00 0.49 H new ATOM 0 HG22 ILE A 142 19.201 5.589 1.802 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.659 6.906 0.697 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.252 6.896 -2.626 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.619 5.728 -1.442 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.391 7.231 -0.884 1.00 0.60 H new ATOM 2039 N VAL A 143 20.887 2.967 1.464 1.00 0.46 N ATOM 2040 CA VAL A 143 21.520 2.514 2.687 1.00 0.47 C ATOM 2041 C VAL A 143 23.040 2.590 2.533 1.00 0.56 C ATOM 2042 O VAL A 143 23.763 2.893 3.478 1.00 0.59 O ATOM 2043 CB VAL A 143 21.095 1.073 3.049 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.866 0.569 4.257 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.598 1.007 3.310 1.00 0.41 C ATOM 0 H VAL A 143 20.322 2.264 0.988 1.00 0.46 H new ATOM 0 HA VAL A 143 21.198 3.166 3.499 1.00 0.47 H new ATOM 0 HB VAL A 143 21.328 0.428 2.202 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.550 -0.447 4.493 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.933 0.575 4.036 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.669 1.217 5.111 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.318 -0.015 3.563 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.343 1.669 4.138 1.00 0.41 H new ATOM 0 HG23 VAL A 143 19.059 1.320 2.416 1.00 0.41 H new ATOM 2055 N LYS A 144 23.508 2.353 1.313 1.00 0.63 N ATOM 2056 CA LYS A 144 24.934 2.412 1.009 1.00 0.74 C ATOM 2057 C LYS A 144 25.398 3.853 0.869 1.00 0.76 C ATOM 2058 O LYS A 144 26.582 4.149 1.027 1.00 0.85 O ATOM 2059 CB LYS A 144 25.231 1.646 -0.276 1.00 0.84 C ATOM 2060 CG LYS A 144 24.497 0.332 -0.345 1.00 0.83 C ATOM 2061 CD LYS A 144 24.850 -0.464 -1.588 1.00 1.10 C ATOM 2062 CE LYS A 144 24.179 -1.825 -1.579 1.00 1.57 C ATOM 2063 NZ LYS A 144 24.528 -2.631 -2.780 1.00 2.23 N ATOM 0 H LYS A 144 22.918 2.117 0.515 1.00 0.63 H new ATOM 0 HA LYS A 144 25.477 1.951 1.835 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.954 2.259 -1.133 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.303 1.464 -0.348 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.732 -0.259 0.540 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.423 0.518 -0.329 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.544 0.089 -2.476 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.931 -0.589 -1.648 1.00 1.10 H new ATOM 0 HE2 LYS A 144 24.474 -2.368 -0.681 1.00 1.57 H new ATOM 0 HE3 LYS A 144 23.098 -1.695 -1.532 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 24.048 -3.552 -2.731 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 24.224 -2.127 -3.637 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.557 -2.778 -2.812 1.00 2.23 H new ATOM 2077 N GLN A 145 24.471 4.750 0.544 1.00 0.70 N ATOM 2078 CA GLN A 145 24.780 6.172 0.545 1.00 0.74 C ATOM 2079 C GLN A 145 25.146 6.587 1.959 1.00 0.75 C ATOM 2080 O GLN A 145 25.973 7.474 2.184 1.00 0.84 O ATOM 2081 CB GLN A 145 23.587 7.004 0.090 1.00 0.71 C ATOM 2082 CG GLN A 145 22.846 6.413 -1.081 1.00 0.72 C ATOM 2083 CD GLN A 145 23.546 6.586 -2.403 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.410 7.613 -3.065 1.00 1.36 O ATOM 2085 NE2 GLN A 145 24.259 5.562 -2.819 1.00 1.27 N ATOM 0 H GLN A 145 23.513 4.520 0.280 1.00 0.70 H new ATOM 0 HA GLN A 145 25.605 6.345 -0.146 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.896 7.119 0.925 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.933 8.003 -0.177 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.692 5.349 -0.900 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.859 6.872 -1.142 1.00 0.72 H new ATOM 0 HE21 GLN A 145 24.344 4.729 -2.236 1.00 1.27 H new ATOM 0 HE22 GLN A 145 24.727 5.600 -3.725 1.00 1.27 H new ATOM 2094 N LYS A 146 24.487 5.929 2.902 1.00 0.67 N ATOM 2095 CA LYS A 146 24.695 6.166 4.318 1.00 0.70 C ATOM 2096 C LYS A 146 25.922 5.417 4.832 1.00 0.84 C ATOM 2097 O LYS A 146 26.742 5.976 5.561 1.00 0.94 O ATOM 2098 CB LYS A 146 23.460 5.723 5.100 1.00 0.58 C ATOM 2099 CG LYS A 146 22.215 6.544 4.803 1.00 0.58 C ATOM 2100 CD LYS A 146 21.006 6.031 5.569 1.00 0.64 C ATOM 2101 CE LYS A 146 21.215 6.102 7.076 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.395 7.498 7.561 1.00 1.73 N ATOM 0 H LYS A 146 23.790 5.212 2.702 1.00 0.67 H new ATOM 0 HA LYS A 146 24.863 7.233 4.462 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.255 4.676 4.874 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.677 5.783 6.167 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.396 7.587 5.065 1.00 0.58 H new ATOM 0 HG3 LYS A 146 22.007 6.515 3.733 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.128 6.617 5.296 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.803 5.000 5.279 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.359 5.653 7.580 1.00 1.40 H new ATOM 0 HE3 LYS A 146 22.090 5.511 7.347 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 21.398 7.507 8.601 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 22.299 7.874 7.209 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 20.614 8.090 7.212 1.00 1.73 H new ATOM 2116 N ALA A 147 26.030 4.146 4.469 1.00 1.04 N ATOM 2117 CA ALA A 147 27.133 3.312 4.915 1.00 1.25 C ATOM 2118 C ALA A 147 28.134 3.090 3.789 1.00 1.72 C ATOM 2119 O ALA A 147 27.913 2.182 2.962 1.00 2.32 O ATOM 2120 CB ALA A 147 26.612 1.981 5.438 1.00 1.87 C ATOM 2121 OXT ALA A 147 29.149 3.820 3.742 1.00 2.18 O ATOM 0 H ALA A 147 25.362 3.670 3.863 1.00 1.04 H new ATOM 0 HA ALA A 147 27.646 3.828 5.727 1.00 1.25 H new ATOM 0 HB1 ALA A 147 27.450 1.367 5.768 1.00 1.87 H new ATOM 0 HB2 ALA A 147 25.939 2.158 6.277 1.00 1.87 H new ATOM 0 HB3 ALA A 147 26.074 1.464 4.644 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 -0.437 3.065 -14.949 1.00 5.84 C HETATM 2129 O ACE B 0 -0.368 3.580 -13.832 1.00 5.72 O HETATM 2130 CH3 ACE B 0 0.312 3.667 -16.109 1.00 6.73 C HETATM 0 H1 ACE B 0 1.015 2.936 -16.507 1.00 6.73 H new HETATM 0 H2 ACE B 0 -0.394 3.953 -16.889 1.00 6.73 H new HETATM 0 H3 ACE B 0 0.857 4.549 -15.772 1.00 6.73 H new ATOM 2134 N MET B 1 -1.146 1.960 -15.226 1.00 5.58 N ATOM 2135 CA MET B 1 -1.970 1.239 -14.243 1.00 5.12 C ATOM 2136 C MET B 1 -2.837 2.184 -13.405 1.00 4.50 C ATOM 2137 O MET B 1 -2.443 2.651 -12.334 1.00 4.70 O ATOM 2138 CB MET B 1 -1.136 0.290 -13.350 1.00 5.46 C ATOM 2139 CG MET B 1 -0.104 0.960 -12.455 1.00 6.11 C ATOM 2140 SD MET B 1 0.737 -0.210 -11.368 1.00 6.75 S ATOM 2141 CE MET B 1 1.804 0.899 -10.452 1.00 6.84 C ATOM 0 H MET B 1 -1.163 1.536 -16.153 1.00 5.58 H new ATOM 0 HA MET B 1 -2.647 0.612 -14.823 1.00 5.12 H new ATOM 0 HB2 MET B 1 -1.819 -0.280 -12.721 1.00 5.46 H new ATOM 0 HB3 MET B 1 -0.622 -0.425 -13.993 1.00 5.46 H new ATOM 0 HG2 MET B 1 0.634 1.469 -13.075 1.00 6.11 H new ATOM 0 HG3 MET B 1 -0.594 1.724 -11.851 1.00 6.11 H new ATOM 0 HE1 MET B 1 2.393 0.327 -9.735 1.00 6.84 H new ATOM 0 HE2 MET B 1 2.472 1.414 -11.142 1.00 6.84 H new ATOM 0 HE3 MET B 1 1.197 1.632 -9.921 1.00 6.84 H new ATOM 2151 N GLU B 2 -4.025 2.471 -13.918 1.00 4.17 N ATOM 2152 CA GLU B 2 -4.965 3.349 -13.234 1.00 3.92 C ATOM 2153 C GLU B 2 -5.450 2.696 -11.946 1.00 3.09 C ATOM 2154 O GLU B 2 -5.770 3.376 -10.974 1.00 3.38 O ATOM 2155 CB GLU B 2 -6.158 3.688 -14.136 1.00 4.79 C ATOM 2156 CG GLU B 2 -5.797 4.512 -15.368 1.00 5.50 C ATOM 2157 CD GLU B 2 -5.005 3.731 -16.398 1.00 6.27 C ATOM 2158 OE1 GLU B 2 -5.600 2.906 -17.122 1.00 6.76 O ATOM 2159 OE2 GLU B 2 -3.780 3.946 -16.495 1.00 6.64 O ATOM 0 H GLU B 2 -4.362 2.107 -14.809 1.00 4.17 H new ATOM 0 HA GLU B 2 -4.448 4.277 -12.991 1.00 3.92 H new ATOM 0 HB2 GLU B 2 -6.630 2.760 -14.459 1.00 4.79 H new ATOM 0 HB3 GLU B 2 -6.897 4.235 -13.551 1.00 4.79 H new ATOM 0 HG2 GLU B 2 -6.712 4.885 -15.829 1.00 5.50 H new ATOM 0 HG3 GLU B 2 -5.219 5.383 -15.058 1.00 5.50 H new ATOM 2166 N GLU B 3 -5.504 1.372 -11.952 1.00 2.63 N ATOM 2167 CA GLU B 3 -5.832 0.616 -10.757 1.00 2.33 C ATOM 2168 C GLU B 3 -4.576 0.488 -9.899 1.00 1.99 C ATOM 2169 O GLU B 3 -3.726 -0.364 -10.159 1.00 2.69 O ATOM 2170 CB GLU B 3 -6.351 -0.774 -11.133 1.00 2.76 C ATOM 2171 CG GLU B 3 -6.998 -1.528 -9.984 1.00 3.28 C ATOM 2172 CD GLU B 3 -8.367 -0.985 -9.630 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -9.321 -1.212 -10.393 1.00 4.29 O ATOM 2174 OE2 GLU B 3 -8.493 -0.321 -8.579 1.00 4.07 O ATOM 0 H GLU B 3 -5.324 0.799 -12.776 1.00 2.63 H new ATOM 0 HA GLU B 3 -6.612 1.134 -10.200 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -7.076 -0.673 -11.941 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -5.522 -1.366 -11.521 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -7.086 -2.582 -10.249 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -6.352 -1.473 -9.108 1.00 3.28 H new ATOM 2181 N VAL B 4 -4.445 1.357 -8.908 1.00 1.33 N ATOM 2182 CA VAL B 4 -3.243 1.393 -8.082 1.00 1.08 C ATOM 2183 C VAL B 4 -3.166 0.182 -7.142 1.00 0.96 C ATOM 2184 O VAL B 4 -2.164 -0.534 -7.128 1.00 1.58 O ATOM 2185 CB VAL B 4 -3.141 2.724 -7.292 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -4.427 3.027 -6.531 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -1.946 2.698 -6.351 1.00 1.88 C ATOM 0 H VAL B 4 -5.153 2.046 -8.655 1.00 1.33 H new ATOM 0 HA VAL B 4 -2.387 1.339 -8.754 1.00 1.08 H new ATOM 0 HB VAL B 4 -2.994 3.527 -8.014 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -4.317 3.967 -5.990 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -5.256 3.108 -7.235 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -4.629 2.223 -5.824 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -1.892 3.640 -5.806 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -2.057 1.876 -5.644 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -1.032 2.559 -6.928 1.00 1.88 H new ATOM 2197 N ASP B 5 -4.224 -0.046 -6.376 1.00 0.80 N ATOM 2198 CA ASP B 5 -4.318 -1.208 -5.499 1.00 0.80 C ATOM 2199 C ASP B 5 -5.772 -1.642 -5.399 1.00 1.61 C ATOM 2200 O ASP B 5 -6.172 -2.574 -6.125 1.00 2.34 O ATOM 2201 CB ASP B 5 -3.761 -0.912 -4.093 1.00 1.41 C ATOM 2202 CG ASP B 5 -2.263 -1.135 -3.970 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -1.838 -2.309 -3.881 1.00 2.81 O ATOM 2204 OD2 ASP B 5 -1.502 -0.142 -3.962 1.00 3.06 O ATOM 2205 OXT ASP B 5 -6.529 -1.010 -4.633 1.00 2.28 O ATOM 0 H ASP B 5 -5.039 0.566 -6.344 1.00 0.80 H new ATOM 0 HA ASP B 5 -3.715 -2.008 -5.928 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -3.988 0.122 -3.832 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -4.274 -1.544 -3.368 1.00 1.41 H new TER 2210 ASP B 5