USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=40 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 107 MET CE :methyl 138:sc= -0.0334 (180deg=-1.61) USER MOD Set 1.2: A 139 CYS SG : rot -96:sc= 0.486 USER MOD Set 2.1: A 75 THR OG1 : rot 116:sc= 1.63 USER MOD Set 2.2: A 77 CYS SG : rot 175:sc= 1.16 USER MOD Set 3.1: A 46 ASN : amide:sc= 0.433! K(o=1.6!,f=-5) USER MOD Set 3.2: A 49 LYS NZ :NH3+ -99:sc= 1.21 (180deg=0) USER MOD Set 4.1: A 36 ASN : amide:sc= 0.712 K(o=2,f=0.48) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.21) USER MOD Single : A 17 THR OG1 : rot 38:sc= 0.332 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 2.13 (180deg=2.01) USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.134 USER MOD Single : A 34 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -1.03 (180deg=-1.7) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0657 USER MOD Single : A 52 SER OG : rot 88:sc= 2.03 USER MOD Single : A 53 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 58 ASN : amide:sc= -3.78 K(o=-3.8,f=-7.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.867 K(o=-0.87,f=-8.6!) USER MOD Single : A 64 TYR OH : rot 15:sc= 1.24 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -5.17! C(o=-7.9!,f=-5.2!) USER MOD Single : A 69 SER OG : rot 88:sc= 0.067 USER MOD Single : A 72 TYR OH : rot 180: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= 0 X(o=0,f=-0.48) USER MOD Single : A 86 THR OG1 : rot 79:sc= 2.24 USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= -1.32! (180deg=-4.05!) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0128 (180deg=-0.16) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 97 LYS NZ :NH3+ 157:sc= 1.76 (180deg=0.145!) USER MOD Single : A 99 TYR OH : rot 13:sc= -1.7! USER MOD Single : A 100 TYR OH : rot -179:sc= 0.496 USER MOD Single : A 105 SER OG : rot 74:sc= 0.367 USER MOD Single : A 106 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.4) 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 72:sc= 1.07 USER MOD Single : A 124 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.17) USER MOD Single : A 126 LYS NZ :NH3+ 155:sc= 1.03 (180deg=0.723) USER MOD Single : A 128 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.0095) USER MOD Single : A 130 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.23) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 136:sc= -0.799 (180deg=-1.12) USER MOD Single : A 135 LYS NZ :NH3+ 143:sc= 1.27 (180deg=-0.0747) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -1.72! C(o=-3.7!,f=-1.7!) USER MOD Single : A 140 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -3.55! C(o=-3.6!,f=-5.1!) USER MOD Single : A 146 LYS NZ :NH3+ -146:sc= -1.54 (180deg=-3.02!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -20.453 -15.249 12.529 1.00 1.33 N ATOM 2 CA THR A 17 -20.611 -14.723 11.183 1.00 1.20 C ATOM 3 C THR A 17 -19.451 -15.154 10.289 1.00 1.09 C ATOM 4 O THR A 17 -18.288 -15.107 10.694 1.00 1.11 O ATOM 5 CB THR A 17 -20.688 -13.178 11.197 1.00 1.41 C ATOM 6 OG1 THR A 17 -21.529 -12.750 12.277 1.00 2.22 O ATOM 7 CG2 THR A 17 -21.238 -12.633 9.878 1.00 0.92 C ATOM 0 HA THR A 17 -21.542 -15.126 10.786 1.00 1.20 H new ATOM 0 HB THR A 17 -19.678 -12.790 11.330 1.00 1.41 H new ATOM 0 HG1 THR A 17 -21.382 -13.328 13.055 1.00 2.22 H new ATOM 0 HG21 THR A 17 -21.279 -11.545 9.923 1.00 0.92 H new ATOM 0 HG22 THR A 17 -20.587 -12.939 9.059 1.00 0.92 H new ATOM 0 HG23 THR A 17 -22.241 -13.027 9.711 1.00 0.92 H new ATOM 15 N ASP A 18 -19.783 -15.604 9.091 1.00 1.03 N ATOM 16 CA ASP A 18 -18.793 -15.852 8.049 1.00 0.95 C ATOM 17 C ASP A 18 -18.363 -14.504 7.479 1.00 0.84 C ATOM 18 O ASP A 18 -18.803 -13.470 7.985 1.00 0.84 O ATOM 19 CB ASP A 18 -19.405 -16.716 6.937 1.00 0.95 C ATOM 20 CG ASP A 18 -20.053 -17.984 7.453 1.00 1.08 C ATOM 21 OD1 ASP A 18 -21.214 -17.914 7.910 1.00 1.16 O ATOM 22 OD2 ASP A 18 -19.427 -19.060 7.367 1.00 1.18 O ATOM 0 H ASP A 18 -20.742 -15.808 8.811 1.00 1.03 H new ATOM 0 HA ASP A 18 -17.935 -16.382 8.463 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -20.149 -16.129 6.398 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -18.627 -16.979 6.221 1.00 0.95 H new ATOM 27 N PRO A 19 -17.482 -14.457 6.459 1.00 0.78 N ATOM 28 CA PRO A 19 -17.255 -13.232 5.709 1.00 0.70 C ATOM 29 C PRO A 19 -18.580 -12.584 5.343 1.00 0.65 C ATOM 30 O PRO A 19 -19.554 -13.292 5.052 1.00 0.70 O ATOM 31 CB PRO A 19 -16.544 -13.686 4.428 1.00 0.71 C ATOM 32 CG PRO A 19 -16.306 -15.160 4.565 1.00 0.75 C ATOM 33 CD PRO A 19 -16.620 -15.547 5.987 1.00 0.84 C ATOM 0 HA PRO A 19 -16.679 -12.505 6.281 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.154 -13.473 3.551 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.602 -13.153 4.299 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -16.936 -15.715 3.870 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.272 -15.404 4.322 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.128 -16.510 6.038 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.715 -15.632 6.589 1.00 0.84 H new ATOM 41 N PRO A 20 -18.658 -11.248 5.375 1.00 0.58 N ATOM 42 CA PRO A 20 -19.848 -10.540 4.923 1.00 0.54 C ATOM 43 C PRO A 20 -20.225 -11.001 3.528 1.00 0.55 C ATOM 44 O PRO A 20 -19.381 -11.497 2.779 1.00 0.58 O ATOM 45 CB PRO A 20 -19.426 -9.073 4.927 1.00 0.49 C ATOM 46 CG PRO A 20 -18.308 -9.002 5.912 1.00 0.50 C ATOM 47 CD PRO A 20 -17.605 -10.330 5.841 1.00 0.56 C ATOM 0 HA PRO A 20 -20.722 -10.717 5.550 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.102 -8.752 3.937 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.252 -8.424 5.218 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.626 -8.187 5.670 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.685 -8.814 6.917 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.762 -10.302 5.151 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.212 -10.629 6.813 1.00 0.56 H new ATOM 55 N ALA A 21 -21.479 -10.861 3.183 1.00 0.56 N ATOM 56 CA ALA A 21 -21.975 -11.439 1.959 1.00 0.63 C ATOM 57 C ALA A 21 -21.494 -10.672 0.733 1.00 0.60 C ATOM 58 O ALA A 21 -20.804 -9.663 0.843 1.00 0.60 O ATOM 59 CB ALA A 21 -23.494 -11.501 1.994 1.00 0.72 C ATOM 0 H ALA A 21 -22.174 -10.353 3.730 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.577 -12.451 1.880 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.862 -11.939 1.066 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.814 -12.114 2.836 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.897 -10.494 2.105 1.00 0.72 H new ATOM 65 N ASP A 22 -21.906 -11.187 -0.413 1.00 0.64 N ATOM 66 CA ASP A 22 -21.714 -10.589 -1.734 1.00 0.70 C ATOM 67 C ASP A 22 -21.890 -9.084 -1.701 1.00 0.67 C ATOM 68 O ASP A 22 -20.924 -8.389 -1.457 1.00 1.01 O ATOM 69 CB ASP A 22 -22.661 -11.207 -2.766 1.00 1.01 C ATOM 70 CG ASP A 22 -22.340 -12.653 -3.077 1.00 1.54 C ATOM 71 OD1 ASP A 22 -22.552 -13.514 -2.196 1.00 2.34 O ATOM 72 OD2 ASP A 22 -21.870 -12.931 -4.197 1.00 1.66 O ATOM 0 H ASP A 22 -22.407 -12.074 -0.455 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.687 -10.803 -2.031 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -23.684 -11.140 -2.397 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -22.615 -10.625 -3.686 1.00 1.01 H new ATOM 77 N GLY A 23 -23.056 -8.600 -2.126 1.00 0.72 N ATOM 78 CA GLY A 23 -23.363 -7.163 -2.129 1.00 0.69 C ATOM 79 C GLY A 23 -22.530 -6.310 -1.163 1.00 0.61 C ATOM 80 O GLY A 23 -22.045 -5.257 -1.557 1.00 0.60 O ATOM 0 H GLY A 23 -23.814 -9.186 -2.477 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.221 -6.780 -3.140 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.417 -7.033 -1.885 1.00 0.69 H new ATOM 84 N ALA A 24 -22.358 -6.753 0.086 1.00 0.59 N ATOM 85 CA ALA A 24 -21.492 -6.052 1.046 1.00 0.55 C ATOM 86 C ALA A 24 -20.023 -6.101 0.609 1.00 0.48 C ATOM 87 O ALA A 24 -19.383 -5.064 0.435 1.00 0.44 O ATOM 88 CB ALA A 24 -21.641 -6.657 2.443 1.00 0.56 C ATOM 0 H ALA A 24 -22.805 -7.591 0.458 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.806 -5.008 1.074 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -20.993 -6.126 3.140 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.677 -6.567 2.770 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.359 -7.710 2.416 1.00 0.56 H new ATOM 94 N LEU A 25 -19.502 -7.312 0.430 1.00 0.49 N ATOM 95 CA LEU A 25 -18.122 -7.520 -0.012 1.00 0.48 C ATOM 96 C LEU A 25 -17.855 -6.840 -1.343 1.00 0.51 C ATOM 97 O LEU A 25 -16.848 -6.153 -1.511 1.00 0.53 O ATOM 98 CB LEU A 25 -17.819 -9.018 -0.148 1.00 0.47 C ATOM 99 CG LEU A 25 -17.604 -9.765 1.165 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.468 -10.761 1.024 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.321 -8.792 2.290 1.00 0.49 C ATOM 0 H LEU A 25 -20.021 -8.176 0.586 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.473 -7.079 0.745 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.642 -9.490 -0.684 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.927 -9.136 -0.764 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.516 -10.311 1.406 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.326 -11.287 1.968 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.710 -11.480 0.241 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.551 -10.233 0.761 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.170 -9.343 3.218 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.423 -8.219 2.058 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.166 -8.112 2.404 1.00 0.49 H new ATOM 113 N LYS A 26 -18.768 -7.031 -2.281 1.00 0.55 N ATOM 114 CA LYS A 26 -18.637 -6.449 -3.605 1.00 0.59 C ATOM 115 C LYS A 26 -18.698 -4.931 -3.505 1.00 0.52 C ATOM 116 O LYS A 26 -18.147 -4.226 -4.339 1.00 0.53 O ATOM 117 CB LYS A 26 -19.745 -6.964 -4.529 1.00 0.68 C ATOM 118 CG LYS A 26 -20.863 -5.961 -4.758 1.00 0.73 C ATOM 119 CD LYS A 26 -22.084 -6.608 -5.371 1.00 0.82 C ATOM 120 CE LYS A 26 -23.130 -5.568 -5.729 1.00 0.93 C ATOM 121 NZ LYS A 26 -22.949 -5.049 -7.109 1.00 1.53 N ATOM 0 H LYS A 26 -19.612 -7.588 -2.148 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.675 -6.742 -4.027 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.308 -7.234 -5.490 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.167 -7.875 -4.104 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.135 -5.498 -3.810 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.508 -5.164 -5.411 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.796 -7.162 -6.265 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.508 -7.329 -4.672 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.124 -6.006 -5.634 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.076 -4.741 -5.021 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -23.684 -4.342 -7.313 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -22.011 -4.608 -7.194 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.026 -5.833 -7.788 1.00 1.53 H new ATOM 135 N ARG A 27 -19.376 -4.435 -2.476 1.00 0.49 N ATOM 136 CA ARG A 27 -19.485 -3.007 -2.271 1.00 0.45 C ATOM 137 C ARG A 27 -18.189 -2.474 -1.694 1.00 0.39 C ATOM 138 O ARG A 27 -17.762 -1.372 -2.021 1.00 0.37 O ATOM 139 CB ARG A 27 -20.654 -2.670 -1.351 1.00 0.49 C ATOM 140 CG ARG A 27 -20.886 -1.180 -1.219 1.00 0.45 C ATOM 141 CD ARG A 27 -21.040 -0.551 -2.592 1.00 0.51 C ATOM 142 NE ARG A 27 -22.314 -0.888 -3.226 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.806 -0.247 -4.288 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.119 0.741 -4.850 1.00 1.01 N ATOM 145 NH2 ARG A 27 -23.983 -0.593 -4.790 1.00 2.11 N ATOM 0 H ARG A 27 -19.854 -5.003 -1.777 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.673 -2.533 -3.234 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.559 -3.142 -1.734 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.467 -3.093 -0.364 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.780 -0.995 -0.624 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.051 -0.720 -0.691 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.958 0.532 -2.502 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -20.222 -0.880 -3.232 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.858 -1.657 -2.834 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.212 1.012 -4.470 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.498 1.229 -5.662 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -24.516 -1.351 -4.364 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -24.356 -0.101 -5.602 1.00 2.11 H new ATOM 159 N ALA A 28 -17.565 -3.265 -0.836 1.00 0.39 N ATOM 160 CA ALA A 28 -16.241 -2.942 -0.336 1.00 0.37 C ATOM 161 C ALA A 28 -15.272 -2.870 -1.512 1.00 0.37 C ATOM 162 O ALA A 28 -14.415 -1.988 -1.592 1.00 0.36 O ATOM 163 CB ALA A 28 -15.795 -3.983 0.684 1.00 0.42 C ATOM 0 H ALA A 28 -17.955 -4.135 -0.472 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.259 -1.975 0.167 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -14.801 -3.730 1.051 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.497 -3.999 1.518 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.768 -4.966 0.213 1.00 0.42 H new ATOM 169 N GLU A 29 -15.460 -3.794 -2.444 1.00 0.43 N ATOM 170 CA GLU A 29 -14.679 -3.841 -3.666 1.00 0.47 C ATOM 171 C GLU A 29 -15.062 -2.669 -4.577 1.00 0.45 C ATOM 172 O GLU A 29 -14.239 -2.158 -5.339 1.00 0.48 O ATOM 173 CB GLU A 29 -14.929 -5.180 -4.366 1.00 0.55 C ATOM 174 CG GLU A 29 -13.780 -5.656 -5.242 1.00 0.84 C ATOM 175 CD GLU A 29 -12.522 -5.967 -4.455 1.00 1.52 C ATOM 176 OE1 GLU A 29 -12.635 -6.433 -3.302 1.00 2.41 O ATOM 177 OE2 GLU A 29 -11.416 -5.764 -4.992 1.00 1.83 O ATOM 0 H GLU A 29 -16.160 -4.532 -2.371 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.618 -3.755 -3.433 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.132 -5.939 -3.610 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.826 -5.093 -4.980 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.091 -6.548 -5.786 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.557 -4.891 -5.985 1.00 0.84 H new ATOM 184 N GLU A 30 -16.318 -2.236 -4.475 1.00 0.43 N ATOM 185 CA GLU A 30 -16.802 -1.091 -5.233 1.00 0.44 C ATOM 186 C GLU A 30 -16.167 0.174 -4.735 1.00 0.41 C ATOM 187 O GLU A 30 -15.753 1.012 -5.514 1.00 0.48 O ATOM 188 CB GLU A 30 -18.311 -0.936 -5.115 1.00 0.47 C ATOM 189 CG GLU A 30 -19.088 -1.720 -6.135 1.00 0.64 C ATOM 190 CD GLU A 30 -18.497 -1.642 -7.526 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.415 -0.532 -8.082 1.00 1.52 O ATOM 192 OE2 GLU A 30 -18.128 -2.705 -8.071 1.00 1.72 O ATOM 0 H GLU A 30 -17.019 -2.665 -3.871 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.537 -1.269 -6.275 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.621 -1.249 -4.118 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.566 0.119 -5.212 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.132 -2.764 -5.824 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.114 -1.352 -6.162 1.00 0.64 H new ATOM 199 N LEU A 31 -16.106 0.305 -3.425 1.00 0.36 N ATOM 200 CA LEU A 31 -15.533 1.476 -2.800 1.00 0.36 C ATOM 201 C LEU A 31 -14.051 1.563 -3.111 1.00 0.37 C ATOM 202 O LEU A 31 -13.476 2.644 -3.112 1.00 0.41 O ATOM 203 CB LEU A 31 -15.788 1.436 -1.300 1.00 0.35 C ATOM 204 CG LEU A 31 -17.267 1.416 -0.925 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.432 1.063 0.536 1.00 0.37 C ATOM 206 CD2 LEU A 31 -17.920 2.753 -1.207 1.00 0.42 C ATOM 0 H LEU A 31 -16.451 -0.395 -2.768 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.008 2.372 -3.200 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.305 0.552 -0.883 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.318 2.304 -0.838 1.00 0.35 H new ATOM 0 HG LEU A 31 -17.758 0.658 -1.536 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.492 1.052 0.790 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.004 0.078 0.723 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -16.919 1.804 1.149 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -18.973 2.709 -0.930 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.424 3.530 -0.625 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -17.833 2.984 -2.269 1.00 0.42 H new ATOM 218 N LYS A 32 -13.443 0.417 -3.393 1.00 0.37 N ATOM 219 CA LYS A 32 -12.076 0.389 -3.891 1.00 0.41 C ATOM 220 C LYS A 32 -12.024 1.066 -5.260 1.00 0.43 C ATOM 221 O LYS A 32 -11.143 1.879 -5.537 1.00 0.47 O ATOM 222 CB LYS A 32 -11.572 -1.054 -4.002 1.00 0.44 C ATOM 223 CG LYS A 32 -10.084 -1.161 -4.281 1.00 0.76 C ATOM 224 CD LYS A 32 -9.665 -2.596 -4.558 1.00 0.70 C ATOM 225 CE LYS A 32 -10.022 -3.028 -5.970 1.00 0.67 C ATOM 226 NZ LYS A 32 -9.567 -4.414 -6.259 1.00 1.15 N ATOM 0 H LYS A 32 -13.874 -0.501 -3.285 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.433 0.924 -3.192 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -11.798 -1.581 -3.075 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.119 -1.560 -4.797 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.828 -0.536 -5.137 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.525 -0.777 -3.427 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.590 -2.695 -4.409 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.149 -3.260 -3.842 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -11.102 -2.965 -6.107 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.569 -2.341 -6.685 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -9.738 -4.634 -7.261 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.550 -4.495 -6.056 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -10.094 -5.084 -5.663 1.00 1.15 H new ATOM 240 N THR A 33 -12.999 0.730 -6.093 1.00 0.43 N ATOM 241 CA THR A 33 -13.134 1.306 -7.422 1.00 0.47 C ATOM 242 C THR A 33 -13.492 2.791 -7.329 1.00 0.47 C ATOM 243 O THR A 33 -12.857 3.638 -7.964 1.00 0.52 O ATOM 244 CB THR A 33 -14.230 0.555 -8.204 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.945 -0.848 -8.211 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.345 1.055 -9.633 1.00 0.57 C ATOM 0 H THR A 33 -13.721 0.047 -5.864 1.00 0.43 H new ATOM 0 HA THR A 33 -12.182 1.208 -7.944 1.00 0.47 H new ATOM 0 HB THR A 33 -15.180 0.741 -7.704 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.124 -1.223 -7.323 1.00 0.50 H new ATOM 0 HG21 THR A 33 -15.128 0.501 -10.151 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.594 2.116 -9.628 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.395 0.908 -10.148 1.00 0.57 H new ATOM 254 N GLN A 34 -14.518 3.089 -6.539 1.00 0.44 N ATOM 255 CA GLN A 34 -14.932 4.458 -6.265 1.00 0.46 C ATOM 256 C GLN A 34 -13.778 5.308 -5.757 1.00 0.46 C ATOM 257 O GLN A 34 -13.519 6.392 -6.273 1.00 0.51 O ATOM 258 CB GLN A 34 -16.062 4.458 -5.239 1.00 0.48 C ATOM 259 CG GLN A 34 -17.324 3.824 -5.773 1.00 0.50 C ATOM 260 CD GLN A 34 -18.475 3.852 -4.793 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.702 2.890 -4.065 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.198 4.958 -4.754 1.00 1.31 N ATOM 0 H GLN A 34 -15.087 2.384 -6.070 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.279 4.894 -7.202 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.739 3.922 -4.347 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.274 5.483 -4.936 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.622 4.340 -6.686 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.114 2.790 -6.045 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -18.976 5.735 -5.377 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.978 5.035 -4.101 1.00 1.31 H new ATOM 271 N ALA A 35 -13.079 4.813 -4.749 1.00 0.43 N ATOM 272 CA ALA A 35 -11.969 5.547 -4.170 1.00 0.44 C ATOM 273 C ALA A 35 -10.824 5.683 -5.161 1.00 0.48 C ATOM 274 O ALA A 35 -10.049 6.628 -5.084 1.00 0.50 O ATOM 275 CB ALA A 35 -11.496 4.883 -2.898 1.00 0.42 C ATOM 0 H ALA A 35 -13.261 3.907 -4.316 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.322 6.549 -3.925 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.663 5.449 -2.480 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.313 4.854 -2.177 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.170 3.867 -3.118 1.00 0.42 H new ATOM 281 N ASN A 36 -10.720 4.742 -6.095 1.00 0.53 N ATOM 282 CA ASN A 36 -9.725 4.845 -7.159 1.00 0.61 C ATOM 283 C ASN A 36 -10.099 5.987 -8.095 1.00 0.63 C ATOM 284 O ASN A 36 -9.238 6.691 -8.617 1.00 0.67 O ATOM 285 CB ASN A 36 -9.617 3.539 -7.951 1.00 0.69 C ATOM 286 CG ASN A 36 -8.502 3.583 -8.984 1.00 1.28 C ATOM 287 OD1 ASN A 36 -7.472 4.217 -8.770 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.703 2.920 -10.113 1.00 2.01 N ATOM 0 H ASN A 36 -11.305 3.908 -6.138 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.755 5.042 -6.702 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.440 2.713 -7.263 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.565 3.340 -8.451 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -7.989 2.925 -10.841 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -9.572 2.405 -10.254 1.00 2.01 H new ATOM 295 N ASP A 37 -11.400 6.177 -8.277 1.00 0.63 N ATOM 296 CA ASP A 37 -11.921 7.273 -9.088 1.00 0.68 C ATOM 297 C ASP A 37 -11.601 8.598 -8.416 1.00 0.65 C ATOM 298 O ASP A 37 -11.316 9.595 -9.076 1.00 0.68 O ATOM 299 CB ASP A 37 -13.434 7.120 -9.276 1.00 0.73 C ATOM 300 CG ASP A 37 -14.037 8.223 -10.124 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.682 8.329 -11.312 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.885 8.981 -9.606 1.00 1.04 O ATOM 0 H ASP A 37 -12.120 5.581 -7.870 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.450 7.249 -10.071 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.642 6.156 -9.741 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.918 7.114 -8.299 1.00 0.73 H new ATOM 307 N TYR A 38 -11.627 8.593 -7.095 1.00 0.60 N ATOM 308 CA TYR A 38 -11.244 9.764 -6.330 1.00 0.58 C ATOM 309 C TYR A 38 -9.726 9.916 -6.320 1.00 0.57 C ATOM 310 O TYR A 38 -9.205 11.026 -6.391 1.00 0.57 O ATOM 311 CB TYR A 38 -11.805 9.682 -4.909 1.00 0.54 C ATOM 312 CG TYR A 38 -13.280 10.008 -4.839 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.702 11.316 -4.647 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.249 9.019 -4.971 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.045 11.633 -4.589 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.594 9.328 -4.917 1.00 0.67 C ATOM 317 CZ TYR A 38 -15.987 10.635 -4.722 1.00 0.65 C ATOM 318 OH TYR A 38 -17.328 10.947 -4.666 1.00 0.71 O ATOM 0 H TYR A 38 -11.909 7.791 -6.531 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.668 10.649 -6.804 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.641 8.679 -4.516 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.255 10.370 -4.266 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -12.967 12.100 -4.541 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -13.945 7.993 -5.118 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.356 12.657 -4.440 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.334 8.549 -5.027 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.859 10.131 -4.778 1.00 0.71 H new ATOM 328 N PHE A 39 -9.026 8.792 -6.267 1.00 0.57 N ATOM 329 CA PHE A 39 -7.576 8.775 -6.330 1.00 0.57 C ATOM 330 C PHE A 39 -7.080 9.395 -7.637 1.00 0.63 C ATOM 331 O PHE A 39 -6.182 10.238 -7.636 1.00 0.67 O ATOM 332 CB PHE A 39 -7.080 7.333 -6.195 1.00 0.58 C ATOM 333 CG PHE A 39 -5.623 7.160 -6.484 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.670 7.518 -5.549 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.209 6.640 -7.697 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.328 7.363 -5.817 1.00 0.59 C ATOM 337 CE2 PHE A 39 -3.868 6.481 -7.973 1.00 0.73 C ATOM 338 CZ PHE A 39 -2.924 6.843 -7.032 1.00 0.65 C ATOM 0 H PHE A 39 -9.449 7.868 -6.179 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.178 9.371 -5.509 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.283 6.983 -5.183 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.652 6.698 -6.872 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -4.981 7.924 -4.598 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -5.944 6.356 -8.435 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.593 7.647 -5.079 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.556 6.074 -8.923 1.00 0.73 H new ATOM 0 HZ PHE A 39 -1.872 6.720 -7.245 1.00 0.65 H new ATOM 348 N LYS A 40 -7.673 8.977 -8.749 1.00 0.66 N ATOM 349 CA LYS A 40 -7.316 9.516 -10.056 1.00 0.74 C ATOM 350 C LYS A 40 -7.877 10.924 -10.229 1.00 0.73 C ATOM 351 O LYS A 40 -7.453 11.670 -11.111 1.00 0.79 O ATOM 352 CB LYS A 40 -7.813 8.597 -11.175 1.00 0.82 C ATOM 353 CG LYS A 40 -9.319 8.400 -11.180 1.00 1.18 C ATOM 354 CD LYS A 40 -9.749 7.329 -12.165 1.00 1.09 C ATOM 355 CE LYS A 40 -9.021 6.017 -11.919 1.00 1.56 C ATOM 356 NZ LYS A 40 -9.590 4.908 -12.727 1.00 2.26 N ATOM 0 H LYS A 40 -8.404 8.266 -8.772 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.229 9.570 -10.116 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -7.506 9.011 -12.136 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.329 7.625 -11.077 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.652 8.127 -10.179 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -9.807 9.341 -11.432 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -10.824 7.170 -12.084 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -9.553 7.669 -13.182 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -7.965 6.137 -12.160 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -9.079 5.762 -10.861 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -9.088 4.024 -12.505 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -10.600 4.798 -12.504 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -9.481 5.124 -13.738 1.00 2.26 H new ATOM 370 N ALA A 41 -8.840 11.281 -9.388 1.00 0.68 N ATOM 371 CA ALA A 41 -9.356 12.640 -9.361 1.00 0.70 C ATOM 372 C ALA A 41 -8.445 13.531 -8.522 1.00 0.71 C ATOM 373 O ALA A 41 -8.550 14.757 -8.566 1.00 0.78 O ATOM 374 CB ALA A 41 -10.772 12.672 -8.810 1.00 0.68 C ATOM 0 H ALA A 41 -9.277 10.648 -8.718 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.379 13.017 -10.383 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.135 13.700 -8.800 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.421 12.064 -9.440 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.776 12.276 -7.795 1.00 0.68 H new ATOM 380 N LYS A 42 -7.541 12.882 -7.777 1.00 0.68 N ATOM 381 CA LYS A 42 -6.580 13.549 -6.884 1.00 0.70 C ATOM 382 C LYS A 42 -7.245 13.975 -5.582 1.00 0.66 C ATOM 383 O LYS A 42 -6.798 14.903 -4.908 1.00 0.70 O ATOM 384 CB LYS A 42 -5.882 14.742 -7.556 1.00 0.82 C ATOM 385 CG LYS A 42 -4.718 14.344 -8.460 1.00 0.96 C ATOM 386 CD LYS A 42 -5.177 13.593 -9.700 1.00 1.41 C ATOM 387 CE LYS A 42 -5.553 14.529 -10.843 1.00 1.57 C ATOM 388 NZ LYS A 42 -6.567 15.549 -10.451 1.00 2.30 N ATOM 0 H LYS A 42 -7.454 11.866 -7.776 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.807 12.816 -6.654 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -6.614 15.295 -8.144 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.516 15.419 -6.784 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -4.173 15.239 -8.761 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -4.022 13.721 -7.898 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.383 12.923 -10.030 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -6.035 12.970 -9.447 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.656 15.035 -11.201 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -5.940 13.941 -11.675 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -6.957 15.997 -11.305 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -7.334 15.090 -9.920 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -6.118 16.273 -9.855 1.00 2.30 H new ATOM 402 N ASP A 43 -8.300 13.265 -5.227 1.00 0.61 N ATOM 403 CA ASP A 43 -8.956 13.443 -3.944 1.00 0.58 C ATOM 404 C ASP A 43 -8.640 12.240 -3.064 1.00 0.52 C ATOM 405 O ASP A 43 -9.393 11.264 -3.024 1.00 0.54 O ATOM 406 CB ASP A 43 -10.470 13.579 -4.123 1.00 0.61 C ATOM 407 CG ASP A 43 -11.168 14.124 -2.891 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.962 13.585 -1.783 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.956 15.084 -3.036 1.00 0.73 O ATOM 0 H ASP A 43 -8.726 12.551 -5.818 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.590 14.356 -3.475 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.672 14.236 -4.969 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.890 12.604 -4.370 1.00 0.61 H new ATOM 414 N TYR A 44 -7.498 12.298 -2.397 1.00 0.48 N ATOM 415 CA TYR A 44 -7.017 11.186 -1.595 1.00 0.45 C ATOM 416 C TYR A 44 -7.807 11.079 -0.304 1.00 0.44 C ATOM 417 O TYR A 44 -7.876 10.016 0.298 1.00 0.43 O ATOM 418 CB TYR A 44 -5.532 11.369 -1.279 1.00 0.45 C ATOM 419 CG TYR A 44 -4.703 11.770 -2.478 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.582 10.933 -3.578 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.037 12.986 -2.498 1.00 0.57 C ATOM 422 CE1 TYR A 44 -3.818 11.301 -4.669 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.276 13.362 -3.584 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.165 12.516 -4.663 1.00 0.64 C ATOM 425 OH TYR A 44 -2.394 12.885 -5.740 1.00 0.75 O ATOM 0 H TYR A 44 -6.883 13.112 -2.396 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.152 10.267 -2.165 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.425 12.128 -0.504 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.139 10.438 -0.871 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.092 9.981 -3.582 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.116 13.649 -1.649 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -3.733 10.642 -5.520 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -2.770 14.316 -3.588 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.005 13.769 -5.576 1.00 0.75 H new ATOM 435 N GLU A 45 -8.422 12.180 0.101 1.00 0.48 N ATOM 436 CA GLU A 45 -9.145 12.226 1.363 1.00 0.50 C ATOM 437 C GLU A 45 -10.446 11.487 1.273 1.00 0.46 C ATOM 438 O GLU A 45 -10.794 10.711 2.166 1.00 0.43 O ATOM 439 CB GLU A 45 -9.385 13.660 1.781 1.00 0.61 C ATOM 440 CG GLU A 45 -8.086 14.331 2.074 1.00 0.76 C ATOM 441 CD GLU A 45 -8.223 15.773 2.516 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.997 16.041 3.457 1.00 1.47 O ATOM 443 OE2 GLU A 45 -7.572 16.651 1.911 1.00 1.17 O ATOM 0 H GLU A 45 -8.435 13.053 -0.426 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.531 11.735 2.118 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.909 14.195 0.989 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.025 13.688 2.663 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.567 13.771 2.852 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.460 14.293 1.182 1.00 0.76 H new ATOM 450 N ASN A 46 -11.175 11.719 0.206 1.00 0.48 N ATOM 451 CA ASN A 46 -12.380 10.978 0.010 1.00 0.48 C ATOM 452 C ASN A 46 -12.037 9.527 -0.287 1.00 0.43 C ATOM 453 O ASN A 46 -12.761 8.617 0.105 1.00 0.43 O ATOM 454 CB ASN A 46 -13.257 11.562 -1.099 1.00 0.53 C ATOM 455 CG ASN A 46 -14.074 12.757 -0.647 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.192 12.605 -0.160 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.533 13.952 -0.816 1.00 0.63 N ATOM 0 H ASN A 46 -10.955 12.401 -0.520 1.00 0.48 H new ATOM 0 HA ASN A 46 -12.962 11.041 0.929 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.624 11.858 -1.936 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.930 10.788 -1.467 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.047 14.788 -0.538 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.602 14.037 -1.224 1.00 0.63 H new ATOM 464 N ALA A 47 -10.912 9.320 -0.968 1.00 0.41 N ATOM 465 CA ALA A 47 -10.399 7.975 -1.202 1.00 0.38 C ATOM 466 C ALA A 47 -10.164 7.264 0.127 1.00 0.34 C ATOM 467 O ALA A 47 -10.619 6.138 0.325 1.00 0.32 O ATOM 468 CB ALA A 47 -9.119 8.028 -2.021 1.00 0.40 C ATOM 0 H ALA A 47 -10.341 10.065 -1.366 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.139 7.411 -1.769 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.750 7.016 -2.186 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.321 8.502 -2.982 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.367 8.605 -1.483 1.00 0.40 H new ATOM 474 N ILE A 48 -9.469 7.950 1.040 1.00 0.34 N ATOM 475 CA ILE A 48 -9.270 7.468 2.407 1.00 0.32 C ATOM 476 C ILE A 48 -10.599 7.023 3.007 1.00 0.29 C ATOM 477 O ILE A 48 -10.706 5.949 3.599 1.00 0.28 O ATOM 478 CB ILE A 48 -8.656 8.576 3.305 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.199 8.838 2.926 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.759 8.223 4.782 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.572 9.998 3.668 1.00 0.42 C ATOM 0 H ILE A 48 -9.031 8.852 0.851 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.582 6.624 2.365 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.232 9.486 3.136 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.616 7.938 3.120 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.141 9.031 1.855 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.319 9.022 5.379 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.807 8.102 5.055 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.225 7.292 4.972 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.538 10.121 3.345 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.130 10.910 3.455 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.596 9.800 4.740 1.00 0.42 H new ATOM 493 N LYS A 49 -11.606 7.859 2.819 1.00 0.31 N ATOM 494 CA LYS A 49 -12.941 7.606 3.330 1.00 0.32 C ATOM 495 C LYS A 49 -13.552 6.349 2.715 1.00 0.27 C ATOM 496 O LYS A 49 -13.974 5.446 3.433 1.00 0.27 O ATOM 497 CB LYS A 49 -13.817 8.820 3.048 1.00 0.39 C ATOM 498 CG LYS A 49 -15.274 8.639 3.415 1.00 0.44 C ATOM 499 CD LYS A 49 -15.998 9.966 3.346 1.00 0.63 C ATOM 500 CE LYS A 49 -16.262 10.395 1.919 1.00 1.02 C ATOM 501 NZ LYS A 49 -16.850 11.757 1.873 1.00 1.50 N ATOM 0 H LYS A 49 -11.519 8.736 2.305 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.877 7.437 4.405 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.420 9.674 3.597 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.750 9.063 1.988 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.742 7.925 2.737 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.355 8.224 4.420 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.944 9.891 3.883 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.405 10.729 3.850 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.331 10.378 1.352 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.939 9.686 1.442 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -17.881 11.686 1.759 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -16.633 12.259 2.758 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.448 12.282 1.070 1.00 1.50 H new ATOM 515 N PHE A 50 -13.589 6.293 1.388 1.00 0.27 N ATOM 516 CA PHE A 50 -14.193 5.164 0.685 1.00 0.27 C ATOM 517 C PHE A 50 -13.473 3.858 0.995 1.00 0.23 C ATOM 518 O PHE A 50 -14.111 2.816 1.136 1.00 0.25 O ATOM 519 CB PHE A 50 -14.232 5.417 -0.823 1.00 0.35 C ATOM 520 CG PHE A 50 -15.337 6.344 -1.247 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.161 7.716 -1.230 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.557 5.838 -1.663 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.176 8.565 -1.622 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.576 6.682 -2.056 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.386 8.047 -2.035 1.00 0.66 C ATOM 0 H PHE A 50 -13.208 7.015 0.777 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.218 5.068 1.044 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.276 5.836 -1.138 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.349 4.465 -1.340 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.217 8.128 -0.906 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.713 4.769 -1.680 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.023 9.634 -1.605 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.522 6.273 -2.380 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.182 8.709 -2.341 1.00 0.66 H new ATOM 535 N TYR A 51 -12.154 3.913 1.124 1.00 0.23 N ATOM 536 CA TYR A 51 -11.391 2.731 1.505 1.00 0.25 C ATOM 537 C TYR A 51 -11.755 2.303 2.922 1.00 0.21 C ATOM 538 O TYR A 51 -11.907 1.115 3.203 1.00 0.23 O ATOM 539 CB TYR A 51 -9.883 2.976 1.392 1.00 0.31 C ATOM 540 CG TYR A 51 -9.385 3.081 -0.033 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.779 2.161 -0.999 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.523 4.102 -0.415 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.322 2.254 -2.300 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.064 4.199 -1.714 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.469 3.273 -2.652 1.00 0.72 C ATOM 546 OH TYR A 51 -8.016 3.365 -3.946 1.00 0.88 O ATOM 0 H TYR A 51 -11.595 4.753 0.973 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.649 1.929 0.814 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.633 3.895 1.923 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.354 2.165 1.893 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.453 1.361 -0.728 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.207 4.832 0.316 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.634 1.529 -3.037 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.391 4.996 -1.994 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.423 4.140 -4.031 1.00 0.88 H new ATOM 556 N SER A 52 -11.929 3.279 3.804 1.00 0.20 N ATOM 557 CA SER A 52 -12.335 3.003 5.172 1.00 0.22 C ATOM 558 C SER A 52 -13.729 2.389 5.179 1.00 0.22 C ATOM 559 O SER A 52 -13.986 1.421 5.893 1.00 0.23 O ATOM 560 CB SER A 52 -12.309 4.283 6.013 1.00 0.25 C ATOM 561 OG SER A 52 -11.011 4.861 6.017 1.00 0.56 O ATOM 0 H SER A 52 -11.795 4.268 3.594 1.00 0.20 H new ATOM 0 HA SER A 52 -11.632 2.296 5.612 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.029 4.999 5.616 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.614 4.058 7.035 1.00 0.25 H new ATOM 0 HG SER A 52 -10.918 5.463 5.249 1.00 0.56 H new ATOM 567 N GLN A 53 -14.610 2.938 4.347 1.00 0.24 N ATOM 568 CA GLN A 53 -15.968 2.428 4.207 1.00 0.27 C ATOM 569 C GLN A 53 -15.961 0.965 3.751 1.00 0.26 C ATOM 570 O GLN A 53 -16.813 0.177 4.153 1.00 0.30 O ATOM 571 CB GLN A 53 -16.766 3.287 3.220 1.00 0.31 C ATOM 572 CG GLN A 53 -17.057 4.697 3.710 1.00 0.37 C ATOM 573 CD GLN A 53 -18.100 5.403 2.863 1.00 0.49 C ATOM 574 OE1 GLN A 53 -19.298 5.309 3.130 1.00 1.12 O ATOM 575 NE2 GLN A 53 -17.657 6.121 1.845 1.00 0.94 N ATOM 0 H GLN A 53 -14.404 3.743 3.756 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.448 2.479 5.184 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.215 3.348 2.281 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.711 2.788 3.003 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.401 4.655 4.744 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.135 5.278 3.704 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -16.656 6.174 1.656 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.316 6.622 1.249 1.00 0.94 H new ATOM 584 N ALA A 54 -14.987 0.603 2.924 1.00 0.23 N ATOM 585 CA ALA A 54 -14.829 -0.778 2.482 1.00 0.24 C ATOM 586 C ALA A 54 -14.482 -1.679 3.663 1.00 0.23 C ATOM 587 O ALA A 54 -14.886 -2.840 3.719 1.00 0.25 O ATOM 588 CB ALA A 54 -13.751 -0.868 1.411 1.00 0.25 C ATOM 0 H ALA A 54 -14.293 1.248 2.545 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.773 -1.117 2.056 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.643 -1.904 1.090 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.033 -0.251 0.558 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.804 -0.514 1.817 1.00 0.25 H new ATOM 594 N ILE A 55 -13.749 -1.112 4.613 1.00 0.22 N ATOM 595 CA ILE A 55 -13.354 -1.818 5.831 1.00 0.22 C ATOM 596 C ILE A 55 -14.476 -1.756 6.867 1.00 0.24 C ATOM 597 O ILE A 55 -14.396 -2.335 7.953 1.00 0.27 O ATOM 598 CB ILE A 55 -12.074 -1.201 6.420 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.036 -1.026 5.321 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.517 -2.071 7.541 1.00 0.27 C ATOM 601 CD1 ILE A 55 -9.993 0.002 5.654 1.00 0.28 C ATOM 0 H ILE A 55 -13.411 -0.151 4.563 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.160 -2.859 5.574 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.319 -0.226 6.841 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.548 -1.983 5.135 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.538 -0.739 4.397 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.612 -1.614 7.941 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.259 -2.162 8.334 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.281 -3.061 7.150 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.283 0.080 4.831 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.472 0.968 5.812 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.466 -0.295 6.561 1.00 0.28 H new ATOM 613 N GLU A 56 -15.515 -1.021 6.534 1.00 0.27 N ATOM 614 CA GLU A 56 -16.727 -1.016 7.329 1.00 0.31 C ATOM 615 C GLU A 56 -17.650 -2.125 6.848 1.00 0.31 C ATOM 616 O GLU A 56 -18.444 -2.675 7.611 1.00 0.34 O ATOM 617 CB GLU A 56 -17.415 0.340 7.209 1.00 0.34 C ATOM 618 CG GLU A 56 -16.490 1.500 7.514 1.00 0.36 C ATOM 619 CD GLU A 56 -16.190 1.638 8.990 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.140 1.819 9.778 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.004 1.576 9.375 1.00 0.81 O ATOM 0 H GLU A 56 -15.546 -0.416 5.714 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.481 -1.190 8.377 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -17.810 0.453 6.200 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.266 0.372 7.890 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.556 1.367 6.969 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -16.941 2.424 7.152 1.00 0.36 H new ATOM 628 N LEU A 57 -17.523 -2.458 5.572 1.00 0.31 N ATOM 629 CA LEU A 57 -18.325 -3.509 4.968 1.00 0.33 C ATOM 630 C LEU A 57 -17.680 -4.867 5.220 1.00 0.33 C ATOM 631 O LEU A 57 -18.290 -5.747 5.828 1.00 0.40 O ATOM 632 CB LEU A 57 -18.480 -3.245 3.473 1.00 0.34 C ATOM 633 CG LEU A 57 -18.954 -1.832 3.130 1.00 0.35 C ATOM 634 CD1 LEU A 57 -18.999 -1.630 1.637 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.316 -1.554 3.740 1.00 0.40 C ATOM 0 H LEU A 57 -16.867 -2.011 4.932 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.316 -3.515 5.421 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.523 -3.424 2.983 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.188 -3.964 3.060 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.238 -1.128 3.553 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.339 -0.618 1.417 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.003 -1.777 1.220 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.688 -2.349 1.193 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.631 -0.543 3.482 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.041 -2.270 3.353 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.255 -1.649 4.824 1.00 0.40 H new ATOM 647 N ASN A 58 -16.439 -5.029 4.777 1.00 0.29 N ATOM 648 CA ASN A 58 -15.672 -6.215 5.113 1.00 0.30 C ATOM 649 C ASN A 58 -14.695 -5.783 6.205 1.00 0.30 C ATOM 650 O ASN A 58 -14.611 -4.597 6.478 1.00 0.34 O ATOM 651 CB ASN A 58 -14.930 -6.668 3.839 1.00 0.35 C ATOM 652 CG ASN A 58 -14.383 -8.084 3.882 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.014 -8.999 4.408 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.196 -8.269 3.326 1.00 0.57 N ATOM 0 H ASN A 58 -15.948 -4.357 4.188 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.283 -7.046 5.466 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.610 -6.583 2.991 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.104 -5.981 3.655 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -12.773 -9.197 3.324 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -12.705 -7.483 2.900 1.00 0.57 H new ATOM 661 N PRO A 59 -13.947 -6.677 6.856 1.00 0.31 N ATOM 662 CA PRO A 59 -12.879 -6.272 7.744 1.00 0.35 C ATOM 663 C PRO A 59 -11.466 -6.539 7.212 1.00 0.35 C ATOM 664 O PRO A 59 -10.843 -5.670 6.598 1.00 0.35 O ATOM 665 CB PRO A 59 -13.205 -7.115 8.967 1.00 0.41 C ATOM 666 CG PRO A 59 -13.797 -8.390 8.417 1.00 0.41 C ATOM 667 CD PRO A 59 -14.185 -8.111 6.978 1.00 0.34 C ATOM 0 HA PRO A 59 -12.846 -5.195 7.911 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.311 -7.317 9.556 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.910 -6.603 9.622 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.076 -9.205 8.471 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.667 -8.694 8.999 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.578 -8.684 6.276 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.226 -8.367 6.782 1.00 0.34 H new ATOM 675 N SER A 60 -10.981 -7.751 7.443 1.00 0.44 N ATOM 676 CA SER A 60 -9.613 -8.122 7.156 1.00 0.49 C ATOM 677 C SER A 60 -9.371 -8.324 5.665 1.00 0.49 C ATOM 678 O SER A 60 -9.389 -9.450 5.165 1.00 0.68 O ATOM 679 CB SER A 60 -9.277 -9.398 7.921 1.00 0.63 C ATOM 680 OG SER A 60 -9.464 -9.218 9.315 1.00 1.52 O ATOM 0 H SER A 60 -11.537 -8.509 7.839 1.00 0.44 H new ATOM 0 HA SER A 60 -8.964 -7.306 7.475 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.907 -10.215 7.568 1.00 0.63 H new ATOM 0 HB3 SER A 60 -8.244 -9.684 7.723 1.00 0.63 H new ATOM 0 HG SER A 60 -9.244 -10.050 9.785 1.00 1.52 H new ATOM 686 N ASN A 61 -9.194 -7.228 4.950 1.00 0.43 N ATOM 687 CA ASN A 61 -8.789 -7.293 3.560 1.00 0.45 C ATOM 688 C ASN A 61 -7.543 -6.446 3.346 1.00 0.38 C ATOM 689 O ASN A 61 -7.608 -5.213 3.375 1.00 0.34 O ATOM 690 CB ASN A 61 -9.914 -6.827 2.638 1.00 0.48 C ATOM 691 CG ASN A 61 -9.670 -7.236 1.195 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.528 -7.345 0.757 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.739 -7.470 0.451 1.00 1.07 N ATOM 0 H ASN A 61 -9.325 -6.283 5.310 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.563 -8.331 3.314 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.860 -7.247 2.979 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.006 -5.743 2.697 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.631 -7.752 -0.523 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.671 -7.368 0.852 1.00 1.07 H new ATOM 700 N ALA A 62 -6.412 -7.111 3.129 1.00 0.42 N ATOM 701 CA ALA A 62 -5.131 -6.430 2.969 1.00 0.42 C ATOM 702 C ALA A 62 -5.167 -5.449 1.803 1.00 0.37 C ATOM 703 O ALA A 62 -4.451 -4.447 1.796 1.00 0.38 O ATOM 704 CB ALA A 62 -4.021 -7.447 2.764 1.00 0.52 C ATOM 0 H ALA A 62 -6.357 -8.127 3.060 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.934 -5.863 3.879 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.070 -6.928 2.646 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.969 -8.108 3.629 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.227 -8.035 1.870 1.00 0.52 H new ATOM 710 N ILE A 63 -6.017 -5.745 0.831 1.00 0.36 N ATOM 711 CA ILE A 63 -6.186 -4.905 -0.342 1.00 0.35 C ATOM 712 C ILE A 63 -6.637 -3.502 0.054 1.00 0.31 C ATOM 713 O ILE A 63 -6.021 -2.510 -0.333 1.00 0.34 O ATOM 714 CB ILE A 63 -7.214 -5.541 -1.303 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.666 -6.869 -1.838 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.558 -4.597 -2.445 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.489 -6.707 -2.767 1.00 0.74 C ATOM 0 H ILE A 63 -6.609 -6.576 0.835 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.224 -4.825 -0.848 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.134 -5.733 -0.752 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.370 -7.496 -0.997 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.463 -7.396 -2.363 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.284 -5.073 -3.104 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.982 -3.678 -2.042 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.655 -4.363 -3.008 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.155 -7.688 -3.106 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.785 -6.107 -3.628 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.675 -6.209 -2.240 1.00 0.74 H new ATOM 729 N TYR A 64 -7.675 -3.430 0.874 1.00 0.29 N ATOM 730 CA TYR A 64 -8.267 -2.149 1.243 1.00 0.28 C ATOM 731 C TYR A 64 -7.330 -1.366 2.150 1.00 0.30 C ATOM 732 O TYR A 64 -7.210 -0.146 2.033 1.00 0.34 O ATOM 733 CB TYR A 64 -9.604 -2.353 1.948 1.00 0.26 C ATOM 734 CG TYR A 64 -10.606 -3.155 1.156 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.658 -3.079 -0.231 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.495 -3.998 1.801 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.569 -3.825 -0.951 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.407 -4.750 1.091 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.442 -4.660 -0.285 1.00 0.35 C ATOM 740 OH TYR A 64 -13.349 -5.412 -0.995 1.00 0.42 O ATOM 0 H TYR A 64 -8.126 -4.241 1.297 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.432 -1.583 0.326 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.427 -2.853 2.900 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.034 -1.378 2.175 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.975 -2.426 -0.753 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.474 -4.068 2.879 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.598 -3.756 -2.028 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.090 -5.406 1.610 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.093 -5.426 -1.941 1.00 0.42 H new ATOM 750 N TYR A 65 -6.668 -2.077 3.050 1.00 0.30 N ATOM 751 CA TYR A 65 -5.716 -1.459 3.961 1.00 0.32 C ATOM 752 C TYR A 65 -4.519 -0.900 3.194 1.00 0.33 C ATOM 753 O TYR A 65 -4.045 0.197 3.481 1.00 0.37 O ATOM 754 CB TYR A 65 -5.264 -2.469 5.017 1.00 0.34 C ATOM 755 CG TYR A 65 -6.231 -2.615 6.176 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.461 -3.252 6.031 1.00 0.37 C ATOM 757 CD2 TYR A 65 -5.908 -2.107 7.424 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.329 -3.376 7.098 1.00 0.40 C ATOM 759 CE2 TYR A 65 -6.772 -2.227 8.493 1.00 0.58 C ATOM 760 CZ TYR A 65 -7.979 -2.860 8.325 1.00 0.47 C ATOM 761 OH TYR A 65 -8.837 -2.985 9.392 1.00 0.55 O ATOM 0 H TYR A 65 -6.773 -3.085 3.169 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.207 -0.628 4.467 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.130 -3.441 4.543 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.291 -2.166 5.403 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.740 -3.655 5.069 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -4.961 -1.607 7.563 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.278 -3.876 6.970 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.500 -1.825 9.458 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.438 -2.568 10.184 1.00 0.55 H new ATOM 771 N GLY A 66 -4.049 -1.647 2.203 1.00 0.35 N ATOM 772 CA GLY A 66 -2.963 -1.170 1.368 1.00 0.41 C ATOM 773 C GLY A 66 -3.380 0.031 0.547 1.00 0.43 C ATOM 774 O GLY A 66 -2.594 0.955 0.329 1.00 0.51 O ATOM 0 H GLY A 66 -4.400 -2.574 1.962 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.111 -0.906 1.994 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.635 -1.970 0.704 1.00 0.41 H new ATOM 778 N ASN A 67 -4.627 0.012 0.098 1.00 0.44 N ATOM 779 CA ASN A 67 -5.201 1.122 -0.650 1.00 0.57 C ATOM 780 C ASN A 67 -5.260 2.383 0.194 1.00 0.41 C ATOM 781 O ASN A 67 -4.810 3.449 -0.228 1.00 0.38 O ATOM 782 CB ASN A 67 -6.610 0.773 -1.126 1.00 0.84 C ATOM 783 CG ASN A 67 -6.622 -0.157 -2.317 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.623 -0.035 -3.169 1.00 2.28 O flip ATOM 785 ND2 ASN A 67 -7.531 -0.966 -2.476 1.00 1.35 N flip ATOM 0 H ASN A 67 -5.267 -0.769 0.241 1.00 0.44 H new ATOM 0 HA ASN A 67 -4.557 1.304 -1.510 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.159 0.310 -0.306 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.137 1.691 -1.385 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -8.285 -1.027 -1.792 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -7.533 -1.577 -3.293 1.00 1.35 H new ATOM 792 N ARG A 68 -5.821 2.264 1.389 1.00 0.39 N ATOM 793 CA ARG A 68 -5.953 3.408 2.274 1.00 0.39 C ATOM 794 C ARG A 68 -4.580 3.906 2.701 1.00 0.31 C ATOM 795 O ARG A 68 -4.356 5.114 2.810 1.00 0.32 O ATOM 796 CB ARG A 68 -6.798 3.066 3.499 1.00 0.53 C ATOM 797 CG ARG A 68 -7.026 4.264 4.400 1.00 0.80 C ATOM 798 CD ARG A 68 -8.031 3.975 5.497 1.00 0.48 C ATOM 799 NE ARG A 68 -7.589 2.923 6.410 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.312 2.491 7.442 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.520 2.994 7.670 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.834 1.555 8.245 1.00 1.87 N ATOM 0 H ARG A 68 -6.190 1.390 1.765 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.462 4.201 1.726 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.761 2.672 3.174 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.306 2.277 4.067 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.079 4.565 4.848 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.377 5.105 3.801 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.215 4.888 6.064 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -8.980 3.683 5.046 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.677 2.496 6.248 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.897 3.714 7.054 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -10.070 2.660 8.461 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.909 1.161 8.075 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.391 1.227 9.034 1.00 1.87 H new ATOM 816 N SER A 69 -3.667 2.967 2.929 1.00 0.31 N ATOM 817 CA SER A 69 -2.281 3.297 3.228 1.00 0.32 C ATOM 818 C SER A 69 -1.712 4.208 2.144 1.00 0.27 C ATOM 819 O SER A 69 -1.068 5.212 2.442 1.00 0.27 O ATOM 820 CB SER A 69 -1.444 2.014 3.345 1.00 0.43 C ATOM 821 OG SER A 69 -0.076 2.300 3.593 1.00 1.16 O ATOM 0 H SER A 69 -3.865 1.967 2.912 1.00 0.31 H new ATOM 0 HA SER A 69 -2.242 3.825 4.181 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.838 1.395 4.151 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.534 1.436 2.425 1.00 0.43 H new ATOM 0 HG SER A 69 0.074 2.370 4.559 1.00 1.16 H new ATOM 827 N LEU A 70 -1.988 3.870 0.886 1.00 0.28 N ATOM 828 CA LEU A 70 -1.504 4.659 -0.241 1.00 0.31 C ATOM 829 C LEU A 70 -2.097 6.065 -0.243 1.00 0.31 C ATOM 830 O LEU A 70 -1.429 7.019 -0.628 1.00 0.38 O ATOM 831 CB LEU A 70 -1.830 3.987 -1.569 1.00 0.36 C ATOM 832 CG LEU A 70 -1.316 4.749 -2.787 1.00 0.46 C ATOM 833 CD1 LEU A 70 0.100 4.323 -3.135 1.00 1.25 C ATOM 834 CD2 LEU A 70 -2.251 4.571 -3.963 1.00 1.16 C ATOM 0 H LEU A 70 -2.544 3.056 0.623 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.422 4.729 -0.125 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.403 2.984 -1.573 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.911 3.874 -1.653 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.289 5.810 -2.541 1.00 0.46 H new ATOM 0 HD11 LEU A 70 0.444 4.880 -4.006 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.759 4.526 -2.291 1.00 1.25 H new ATOM 0 HD13 LEU A 70 0.115 3.256 -3.358 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -1.866 5.122 -4.821 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -2.322 3.513 -4.214 1.00 1.16 H new ATOM 0 HD23 LEU A 70 -3.239 4.949 -3.702 1.00 1.16 H new ATOM 846 N ALA A 71 -3.350 6.193 0.169 1.00 0.26 N ATOM 847 CA ALA A 71 -3.995 7.493 0.229 1.00 0.30 C ATOM 848 C ALA A 71 -3.306 8.359 1.274 1.00 0.29 C ATOM 849 O ALA A 71 -3.024 9.535 1.038 1.00 0.36 O ATOM 850 CB ALA A 71 -5.475 7.337 0.533 1.00 0.32 C ATOM 0 H ALA A 71 -3.937 5.414 0.466 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.906 7.984 -0.740 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.944 8.320 0.575 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.947 6.743 -0.250 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.598 6.835 1.493 1.00 0.32 H new ATOM 856 N TYR A 72 -3.012 7.752 2.421 1.00 0.25 N ATOM 857 CA TYR A 72 -2.201 8.395 3.447 1.00 0.25 C ATOM 858 C TYR A 72 -0.805 8.719 2.904 1.00 0.26 C ATOM 859 O TYR A 72 -0.178 9.703 3.300 1.00 0.30 O ATOM 860 CB TYR A 72 -2.064 7.482 4.668 1.00 0.25 C ATOM 861 CG TYR A 72 -3.342 7.256 5.451 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.103 8.326 5.908 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.773 5.972 5.750 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.256 8.121 6.641 1.00 0.41 C ATOM 865 CE2 TYR A 72 -4.923 5.760 6.484 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.662 6.837 6.925 1.00 0.43 C ATOM 867 OH TYR A 72 -6.808 6.625 7.660 1.00 0.52 O ATOM 0 H TYR A 72 -3.326 6.812 2.662 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.698 9.320 3.739 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.683 6.515 4.338 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.317 7.907 5.338 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.787 9.335 5.686 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.200 5.125 5.403 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.835 8.963 6.989 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.243 4.754 6.712 1.00 0.47 H new ATOM 0 HH TYR A 72 -6.953 5.662 7.770 1.00 0.52 H new ATOM 877 N LEU A 73 -0.339 7.869 1.998 1.00 0.26 N ATOM 878 CA LEU A 73 0.971 8.014 1.369 1.00 0.30 C ATOM 879 C LEU A 73 0.990 9.143 0.342 1.00 0.37 C ATOM 880 O LEU A 73 2.049 9.677 0.015 1.00 0.50 O ATOM 881 CB LEU A 73 1.366 6.697 0.696 1.00 0.31 C ATOM 882 CG LEU A 73 2.034 5.676 1.613 1.00 0.31 C ATOM 883 CD1 LEU A 73 1.940 4.275 1.026 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.486 6.054 1.820 1.00 0.43 C ATOM 0 H LEU A 73 -0.861 7.054 1.676 1.00 0.26 H new ATOM 0 HA LEU A 73 1.689 8.266 2.150 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.473 6.245 0.265 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.042 6.918 -0.130 1.00 0.31 H new ATOM 0 HG LEU A 73 1.516 5.678 2.572 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.423 3.566 1.698 1.00 0.33 H new ATOM 0 HD12 LEU A 73 0.892 4.002 0.903 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.437 4.253 0.056 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.962 5.324 2.475 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.999 6.068 0.858 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.543 7.042 2.276 1.00 0.43 H new ATOM 896 N ARG A 74 -0.174 9.491 -0.180 1.00 0.38 N ATOM 897 CA ARG A 74 -0.272 10.558 -1.166 1.00 0.48 C ATOM 898 C ARG A 74 -0.307 11.912 -0.481 1.00 0.53 C ATOM 899 O ARG A 74 0.216 12.897 -1.001 1.00 0.67 O ATOM 900 CB ARG A 74 -1.527 10.396 -2.024 1.00 0.51 C ATOM 901 CG ARG A 74 -1.578 9.103 -2.817 1.00 0.48 C ATOM 902 CD ARG A 74 -0.437 9.011 -3.818 1.00 1.19 C ATOM 903 NE ARG A 74 -0.630 9.894 -4.971 1.00 1.95 N ATOM 904 CZ ARG A 74 0.314 10.155 -5.874 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.557 9.732 -5.682 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.025 10.872 -6.952 1.00 3.53 N ATOM 0 H ARG A 74 -1.063 9.053 0.061 1.00 0.38 H new ATOM 0 HA ARG A 74 0.607 10.498 -1.808 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.404 10.447 -1.378 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.591 11.236 -2.716 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.532 8.255 -2.134 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.530 9.036 -3.343 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.499 9.266 -3.322 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.344 7.982 -4.164 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.542 10.335 -5.089 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.792 9.205 -4.841 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.277 9.934 -6.376 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.922 11.225 -7.091 1.00 3.53 H new ATOM 0 HH22 ARG A 74 0.750 11.070 -7.642 1.00 3.53 H new ATOM 920 N THR A 75 -0.934 11.949 0.684 1.00 0.48 N ATOM 921 CA THR A 75 -1.115 13.189 1.412 1.00 0.57 C ATOM 922 C THR A 75 0.130 13.554 2.232 1.00 0.70 C ATOM 923 O THR A 75 0.984 14.317 1.774 1.00 1.53 O ATOM 924 CB THR A 75 -2.354 13.092 2.329 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.241 11.954 3.197 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.625 12.955 1.504 1.00 0.49 C ATOM 0 H THR A 75 -1.327 11.129 1.145 1.00 0.48 H new ATOM 0 HA THR A 75 -1.271 13.983 0.682 1.00 0.57 H new ATOM 0 HB THR A 75 -2.405 14.006 2.921 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.182 12.257 4.127 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.485 12.888 2.170 1.00 0.49 H new ATOM 0 HG22 THR A 75 -3.734 13.825 0.856 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.567 12.054 0.894 1.00 0.49 H new ATOM 934 N GLU A 76 0.226 12.978 3.426 1.00 0.57 N ATOM 935 CA GLU A 76 1.319 13.249 4.366 1.00 0.59 C ATOM 936 C GLU A 76 1.096 12.447 5.647 1.00 0.42 C ATOM 937 O GLU A 76 1.616 12.781 6.714 1.00 0.45 O ATOM 938 CB GLU A 76 1.368 14.743 4.703 1.00 0.86 C ATOM 939 CG GLU A 76 0.085 15.257 5.332 1.00 1.85 C ATOM 940 CD GLU A 76 0.126 16.740 5.611 1.00 2.38 C ATOM 941 OE1 GLU A 76 0.748 17.143 6.621 1.00 2.71 O ATOM 942 OE2 GLU A 76 -0.459 17.513 4.825 1.00 2.77 O ATOM 0 H GLU A 76 -0.455 12.304 3.775 1.00 0.57 H new ATOM 0 HA GLU A 76 2.264 12.957 3.907 1.00 0.59 H new ATOM 0 HB2 GLU A 76 2.198 14.928 5.384 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.570 15.308 3.793 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -0.752 15.039 4.669 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.098 14.721 6.263 1.00 1.85 H new ATOM 949 N CYS A 77 0.364 11.357 5.512 1.00 0.32 N ATOM 950 CA CYS A 77 -0.190 10.643 6.649 1.00 0.32 C ATOM 951 C CYS A 77 0.526 9.328 6.867 1.00 0.32 C ATOM 952 O CYS A 77 -0.076 8.333 7.265 1.00 0.35 O ATOM 953 CB CYS A 77 -1.668 10.400 6.417 1.00 0.33 C ATOM 954 SG CYS A 77 -2.631 11.905 6.135 1.00 0.37 S ATOM 0 H CYS A 77 0.136 10.940 4.609 1.00 0.32 H new ATOM 0 HA CYS A 77 -0.054 11.251 7.544 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.786 9.740 5.557 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -2.078 9.876 7.280 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.859 11.587 5.850 1.00 0.37 H new ATOM 960 N TYR A 78 1.811 9.340 6.587 1.00 0.34 N ATOM 961 CA TYR A 78 2.643 8.146 6.638 1.00 0.38 C ATOM 962 C TYR A 78 2.584 7.447 7.998 1.00 0.41 C ATOM 963 O TYR A 78 2.871 6.255 8.095 1.00 0.43 O ATOM 964 CB TYR A 78 4.073 8.526 6.303 1.00 0.44 C ATOM 965 CG TYR A 78 4.157 9.456 5.120 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.695 9.060 3.875 1.00 0.55 C ATOM 967 CD2 TYR A 78 4.678 10.733 5.254 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.756 9.912 2.789 1.00 0.66 C ATOM 969 CE2 TYR A 78 4.742 11.592 4.175 1.00 0.66 C ATOM 970 CZ TYR A 78 4.281 11.178 2.944 1.00 0.66 C ATOM 971 OH TYR A 78 4.349 12.033 1.868 1.00 0.84 O ATOM 0 H TYR A 78 2.317 10.183 6.315 1.00 0.34 H new ATOM 0 HA TYR A 78 2.258 7.436 5.906 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.532 9.002 7.169 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.647 7.623 6.094 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.281 8.070 3.752 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.040 11.061 6.217 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.395 9.588 1.824 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.152 12.584 4.295 1.00 0.66 H new ATOM 0 HH TYR A 78 4.744 12.884 2.151 1.00 0.84 H new ATOM 981 N GLY A 79 2.213 8.184 9.040 1.00 0.43 N ATOM 982 CA GLY A 79 2.009 7.570 10.339 1.00 0.49 C ATOM 983 C GLY A 79 0.879 6.562 10.290 1.00 0.42 C ATOM 984 O GLY A 79 1.046 5.405 10.688 1.00 0.42 O ATOM 0 H GLY A 79 2.051 9.191 9.009 1.00 0.43 H new ATOM 0 HA2 GLY A 79 2.927 7.078 10.661 1.00 0.49 H new ATOM 0 HA3 GLY A 79 1.784 8.339 11.078 1.00 0.49 H new ATOM 988 N TYR A 80 -0.268 6.997 9.775 1.00 0.38 N ATOM 989 CA TYR A 80 -1.389 6.097 9.536 1.00 0.36 C ATOM 990 C TYR A 80 -1.021 5.081 8.467 1.00 0.30 C ATOM 991 O TYR A 80 -1.317 3.899 8.601 1.00 0.32 O ATOM 992 CB TYR A 80 -2.632 6.860 9.076 1.00 0.40 C ATOM 993 CG TYR A 80 -3.251 7.764 10.115 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.800 7.248 11.281 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.311 9.136 9.913 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.390 8.074 12.216 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.895 9.968 10.844 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.433 9.433 11.993 1.00 1.29 C ATOM 999 OH TYR A 80 -5.022 10.262 12.918 1.00 1.70 O ATOM 0 H TYR A 80 -0.444 7.968 9.516 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.612 5.595 10.477 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.369 7.460 8.205 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.382 6.139 8.751 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -3.765 6.183 11.459 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -2.893 9.559 9.011 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -4.815 7.658 13.117 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.930 11.034 10.673 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.966 11.190 12.608 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.368 5.561 7.411 1.00 0.28 N ATOM 1010 CA ALA A 81 0.003 4.726 6.272 1.00 0.28 C ATOM 1011 C ALA A 81 0.785 3.494 6.708 1.00 0.29 C ATOM 1012 O ALA A 81 0.421 2.369 6.367 1.00 0.33 O ATOM 1013 CB ALA A 81 0.813 5.532 5.267 1.00 0.31 C ATOM 0 H ALA A 81 -0.082 6.536 7.321 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.918 4.386 5.800 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.082 4.896 4.423 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.218 6.374 4.912 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.719 5.904 5.745 1.00 0.31 H new ATOM 1019 N LEU A 82 1.846 3.712 7.472 1.00 0.30 N ATOM 1020 CA LEU A 82 2.696 2.627 7.936 1.00 0.34 C ATOM 1021 C LEU A 82 1.912 1.695 8.854 1.00 0.32 C ATOM 1022 O LEU A 82 1.992 0.471 8.732 1.00 0.37 O ATOM 1023 CB LEU A 82 3.934 3.209 8.649 1.00 0.42 C ATOM 1024 CG LEU A 82 5.015 2.207 9.080 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.651 1.547 10.394 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.236 1.154 8.005 1.00 0.52 C ATOM 0 H LEU A 82 2.139 4.637 7.785 1.00 0.30 H new ATOM 0 HA LEU A 82 3.035 2.040 7.082 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.394 3.943 7.987 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.595 3.747 9.535 1.00 0.42 H new ATOM 0 HG LEU A 82 5.944 2.760 9.220 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.433 0.842 10.676 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.552 2.308 11.168 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.706 1.015 10.285 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.006 0.455 8.333 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.306 0.613 7.829 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.554 1.638 7.082 1.00 0.52 H new ATOM 1038 N ASN A 83 1.144 2.285 9.756 1.00 0.32 N ATOM 1039 CA ASN A 83 0.362 1.521 10.720 1.00 0.39 C ATOM 1040 C ASN A 83 -0.669 0.642 10.018 1.00 0.38 C ATOM 1041 O ASN A 83 -0.789 -0.551 10.300 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.336 2.481 11.691 1.00 0.47 C ATOM 1043 CG ASN A 83 -1.129 1.768 12.768 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -0.779 0.667 13.195 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -2.194 2.402 13.232 1.00 2.09 N ATOM 0 H ASN A 83 1.044 3.296 9.842 1.00 0.32 H new ATOM 0 HA ASN A 83 1.037 0.869 11.274 1.00 0.39 H new ATOM 0 HB2 ASN A 83 0.412 3.119 12.162 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.004 3.134 11.129 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -2.758 1.980 13.970 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -2.451 3.313 12.852 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.380 1.240 9.078 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.463 0.568 8.378 1.00 0.45 C ATOM 1054 C ASP A 84 -1.914 -0.486 7.416 1.00 0.42 C ATOM 1055 O ASP A 84 -2.490 -1.564 7.262 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.292 1.606 7.622 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.739 1.196 7.449 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.337 0.701 8.428 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.301 1.412 6.356 1.00 1.19 O ATOM 0 H ASP A 84 -1.224 2.202 8.778 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.097 0.058 9.103 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -3.251 2.555 8.156 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.848 1.773 6.641 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.780 -0.180 6.788 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.133 -1.116 5.874 1.00 0.43 C ATOM 1066 C ALA A 85 0.375 -2.344 6.623 1.00 0.42 C ATOM 1067 O ALA A 85 0.279 -3.468 6.131 1.00 0.42 O ATOM 1068 CB ALA A 85 1.008 -0.441 5.131 1.00 0.48 C ATOM 0 H ALA A 85 -0.291 0.709 6.896 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.876 -1.441 5.145 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.476 -1.157 4.455 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.621 0.401 4.557 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.747 -0.082 5.848 1.00 0.48 H new ATOM 1074 N THR A 86 0.910 -2.127 7.820 1.00 0.42 N ATOM 1075 CA THR A 86 1.367 -3.228 8.655 1.00 0.44 C ATOM 1076 C THR A 86 0.186 -4.108 9.053 1.00 0.43 C ATOM 1077 O THR A 86 0.314 -5.328 9.168 1.00 0.44 O ATOM 1078 CB THR A 86 2.091 -2.715 9.917 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.149 -1.820 9.537 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.670 -3.868 10.722 1.00 0.55 C ATOM 0 H THR A 86 1.037 -1.202 8.231 1.00 0.42 H new ATOM 0 HA THR A 86 2.078 -3.816 8.075 1.00 0.44 H new ATOM 0 HB THR A 86 1.364 -2.190 10.537 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.773 -0.940 9.326 1.00 0.47 H new ATOM 0 HG21 THR A 86 3.175 -3.477 11.606 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.866 -4.537 11.029 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.385 -4.417 10.109 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.975 -3.484 9.228 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.187 -4.225 9.534 1.00 0.43 C ATOM 1090 C ARG A 87 -2.552 -5.146 8.375 1.00 0.39 C ATOM 1091 O ARG A 87 -3.043 -6.248 8.591 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.349 -3.280 9.846 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.609 -4.004 10.295 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.374 -4.765 11.587 1.00 0.71 C ATOM 1095 NE ARG A 87 -5.497 -5.633 11.938 1.00 1.63 N ATOM 1096 CZ ARG A 87 -5.519 -6.395 13.031 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -4.505 -6.353 13.888 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -6.554 -7.191 13.273 1.00 3.28 N ATOM 0 H ARG A 87 -1.099 -2.474 9.163 1.00 0.43 H new ATOM 0 HA ARG A 87 -1.996 -4.830 10.420 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.042 -2.582 10.625 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.575 -2.688 8.959 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.415 -3.284 10.436 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.931 -4.695 9.516 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -3.470 -5.367 11.491 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.201 -4.056 12.396 1.00 0.71 H new ATOM 0 HE ARG A 87 -6.304 -5.656 11.315 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -3.711 -5.738 13.709 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -4.520 -6.936 14.725 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -7.338 -7.221 12.621 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -6.565 -7.772 14.111 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.295 -4.704 7.145 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.543 -5.543 5.976 1.00 0.38 C ATOM 1114 C ALA A 88 -1.661 -6.782 6.008 1.00 0.39 C ATOM 1115 O ALA A 88 -2.106 -7.868 5.662 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.314 -4.789 4.681 1.00 0.42 C ATOM 0 H ALA A 88 -1.919 -3.780 6.934 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.590 -5.842 6.014 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.509 -5.449 3.836 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.986 -3.932 4.635 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.281 -4.442 4.639 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.411 -6.612 6.427 1.00 0.42 N ATOM 1123 CA ILE A 89 0.500 -7.744 6.593 1.00 0.47 C ATOM 1124 C ILE A 89 -0.049 -8.714 7.648 1.00 0.47 C ATOM 1125 O ILE A 89 0.200 -9.920 7.609 1.00 0.59 O ATOM 1126 CB ILE A 89 1.919 -7.274 6.999 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.426 -6.193 6.033 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.886 -8.453 7.027 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.460 -6.626 4.584 1.00 1.15 C ATOM 0 H ILE A 89 -0.005 -5.705 6.658 1.00 0.42 H new ATOM 0 HA ILE A 89 0.574 -8.255 5.633 1.00 0.47 H new ATOM 0 HB ILE A 89 1.864 -6.847 8.000 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.789 -5.313 6.123 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.429 -5.893 6.335 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.878 -8.103 7.314 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.538 -9.192 7.749 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.934 -8.908 6.038 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.829 -5.806 3.968 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.120 -7.487 4.477 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.455 -6.898 4.262 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.813 -8.174 8.588 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.477 -8.983 9.605 1.00 0.43 C ATOM 1143 C GLU A 90 -2.697 -9.693 9.021 1.00 0.40 C ATOM 1144 O GLU A 90 -3.050 -10.795 9.441 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.900 -8.107 10.783 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.728 -7.511 11.547 1.00 0.50 C ATOM 1147 CD GLU A 90 0.089 -8.558 12.279 1.00 0.58 C ATOM 1148 OE1 GLU A 90 0.892 -9.258 11.626 1.00 0.73 O ATOM 1149 OE2 GLU A 90 -0.077 -8.699 13.510 1.00 0.82 O ATOM 0 H GLU A 90 -0.990 -7.173 8.668 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.772 -9.737 9.955 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.533 -7.299 10.416 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.506 -8.700 11.468 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.083 -6.974 10.852 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.102 -6.781 12.265 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.324 -9.057 8.043 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.517 -9.604 7.400 1.00 0.39 C ATOM 1158 C LEU A 91 -4.136 -10.640 6.347 1.00 0.43 C ATOM 1159 O LEU A 91 -4.826 -11.644 6.163 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.307 -8.486 6.727 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.578 -7.255 7.585 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.274 -6.195 6.762 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.412 -7.604 8.804 1.00 0.45 C ATOM 0 H LEU A 91 -3.026 -8.154 7.673 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.126 -10.080 8.168 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.766 -8.171 5.834 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.263 -8.891 6.395 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.621 -6.868 7.935 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.464 -5.319 7.382 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.641 -5.913 5.921 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.220 -6.587 6.389 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.587 -6.705 9.394 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.367 -8.020 8.484 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -5.881 -8.338 9.410 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.026 -10.386 5.669 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.565 -11.224 4.589 1.00 0.53 C ATOM 1177 C ASP A 92 -1.062 -11.282 4.670 1.00 0.56 C ATOM 1178 O ASP A 92 -0.369 -10.387 4.183 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.993 -10.686 3.220 1.00 0.66 C ATOM 1180 CG ASP A 92 -3.123 -11.788 2.188 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.157 -12.563 2.018 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -4.179 -11.884 1.533 1.00 2.34 O ATOM 0 H ASP A 92 -2.422 -9.587 5.859 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.007 -12.215 4.690 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.947 -10.167 3.317 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.264 -9.952 2.876 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.570 -12.305 5.338 1.00 0.48 N ATOM 1188 CA LYS A 93 0.841 -12.402 5.638 1.00 0.50 C ATOM 1189 C LYS A 93 1.687 -12.375 4.388 1.00 0.55 C ATOM 1190 O LYS A 93 2.767 -11.792 4.397 1.00 0.64 O ATOM 1191 CB LYS A 93 1.129 -13.646 6.456 1.00 0.55 C ATOM 1192 CG LYS A 93 0.990 -13.420 7.947 1.00 0.73 C ATOM 1193 CD LYS A 93 2.052 -12.456 8.449 1.00 1.22 C ATOM 1194 CE LYS A 93 1.820 -12.071 9.900 1.00 1.76 C ATOM 1195 NZ LYS A 93 0.507 -11.399 10.085 1.00 2.61 N ATOM 0 H LYS A 93 -1.131 -13.084 5.684 1.00 0.48 H new ATOM 0 HA LYS A 93 1.110 -11.526 6.229 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.449 -14.441 6.150 1.00 0.55 H new ATOM 0 HB3 LYS A 93 2.140 -13.991 6.239 1.00 0.55 H new ATOM 0 HG2 LYS A 93 -0.001 -13.024 8.168 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.078 -14.371 8.473 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.036 -12.913 8.347 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.051 -11.559 7.830 1.00 1.22 H new ATOM 0 HE2 LYS A 93 1.864 -12.963 10.525 1.00 1.76 H new ATOM 0 HE3 LYS A 93 2.619 -11.408 10.233 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 0.578 -10.703 10.855 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 0.238 -10.915 9.205 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 -0.215 -12.108 10.325 1.00 2.61 H new ATOM 1209 N LYS A 94 1.219 -12.987 3.309 1.00 0.55 N ATOM 1210 CA LYS A 94 1.914 -12.826 2.050 1.00 0.61 C ATOM 1211 C LYS A 94 1.034 -12.092 1.048 1.00 0.60 C ATOM 1212 O LYS A 94 0.196 -12.682 0.368 1.00 0.69 O ATOM 1213 CB LYS A 94 2.338 -14.185 1.489 1.00 0.76 C ATOM 1214 CG LYS A 94 3.219 -14.987 2.435 1.00 0.96 C ATOM 1215 CD LYS A 94 3.579 -16.344 1.851 1.00 1.17 C ATOM 1216 CE LYS A 94 4.539 -16.224 0.677 1.00 1.41 C ATOM 1217 NZ LYS A 94 5.881 -15.742 1.104 1.00 2.11 N ATOM 0 H LYS A 94 0.389 -13.579 3.282 1.00 0.55 H new ATOM 0 HA LYS A 94 2.811 -12.232 2.228 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.446 -14.767 1.256 1.00 0.76 H new ATOM 0 HB3 LYS A 94 2.872 -14.031 0.551 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.131 -14.428 2.646 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.703 -15.125 3.385 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.030 -16.964 2.626 1.00 1.17 H new ATOM 0 HD3 LYS A 94 2.671 -16.851 1.526 1.00 1.17 H new ATOM 0 HE2 LYS A 94 4.640 -17.194 0.190 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.125 -15.538 -0.062 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 6.562 -15.881 0.331 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.828 -14.731 1.341 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.192 -16.277 1.940 1.00 2.11 H new ATOM 1231 N TYR A 95 1.279 -10.798 0.954 1.00 0.53 N ATOM 1232 CA TYR A 95 0.700 -9.943 -0.063 1.00 0.58 C ATOM 1233 C TYR A 95 1.797 -9.000 -0.535 1.00 0.55 C ATOM 1234 O TYR A 95 2.187 -8.083 0.190 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.513 -9.179 0.496 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.117 -8.170 -0.461 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.242 -8.444 -1.818 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.545 -6.929 -0.005 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.773 -7.511 -2.690 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.071 -5.992 -0.872 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.182 -6.286 -2.211 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.692 -5.344 -3.074 1.00 1.46 O ATOM 0 H TYR A 95 1.898 -10.303 1.596 1.00 0.53 H new ATOM 0 HA TYR A 95 0.330 -10.529 -0.904 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.282 -9.899 0.777 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.212 -8.662 1.407 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.919 -9.402 -2.198 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.465 -6.693 1.046 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.866 -7.742 -3.741 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.394 -5.031 -0.500 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.933 -4.537 -2.572 1.00 1.46 H new ATOM 1252 N ILE A 96 2.309 -9.234 -1.735 1.00 0.56 N ATOM 1253 CA ILE A 96 3.541 -8.587 -2.173 1.00 0.55 C ATOM 1254 C ILE A 96 3.369 -7.082 -2.315 1.00 0.49 C ATOM 1255 O ILE A 96 4.217 -6.307 -1.868 1.00 0.45 O ATOM 1256 CB ILE A 96 4.059 -9.180 -3.498 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.072 -10.709 -3.426 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.455 -8.659 -3.785 1.00 0.59 C ATOM 1259 CD1 ILE A 96 4.851 -11.243 -2.246 1.00 0.83 C ATOM 0 H ILE A 96 1.894 -9.864 -2.421 1.00 0.56 H new ATOM 0 HA ILE A 96 4.281 -8.779 -1.396 1.00 0.55 H new ATOM 0 HB ILE A 96 3.393 -8.875 -4.305 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.046 -11.072 -3.370 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.501 -11.106 -4.346 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.816 -9.082 -4.723 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.429 -7.572 -3.863 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.125 -8.948 -2.975 1.00 0.59 H new ATOM 0 HD11 ILE A 96 4.821 -12.333 -2.253 1.00 0.83 H new ATOM 0 HD12 ILE A 96 5.886 -10.908 -2.312 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.408 -10.874 -1.321 1.00 0.83 H new ATOM 1271 N LYS A 97 2.264 -6.668 -2.913 1.00 0.54 N ATOM 1272 CA LYS A 97 1.980 -5.246 -3.056 1.00 0.55 C ATOM 1273 C LYS A 97 1.698 -4.624 -1.692 1.00 0.50 C ATOM 1274 O LYS A 97 1.784 -3.412 -1.523 1.00 0.51 O ATOM 1275 CB LYS A 97 0.797 -5.018 -4.000 1.00 0.71 C ATOM 1276 CG LYS A 97 0.983 -5.662 -5.366 1.00 1.28 C ATOM 1277 CD LYS A 97 -0.149 -5.304 -6.314 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.043 -3.869 -6.802 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.195 -3.495 -7.664 1.00 1.59 N ATOM 0 H LYS A 97 1.554 -7.287 -3.304 1.00 0.54 H new ATOM 0 HA LYS A 97 2.857 -4.764 -3.488 1.00 0.55 H new ATOM 0 HB2 LYS A 97 -0.108 -5.415 -3.539 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.646 -3.946 -4.129 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.932 -5.340 -5.794 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.035 -6.745 -5.254 1.00 1.28 H new ATOM 0 HD2 LYS A 97 -0.135 -5.981 -7.169 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -1.105 -5.447 -5.810 1.00 1.65 H new ATOM 0 HE2 LYS A 97 0.004 -3.196 -5.946 1.00 1.73 H new ATOM 0 HE3 LYS A 97 0.885 -3.742 -7.359 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -1.310 -2.461 -7.660 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.021 -3.820 -8.636 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -2.061 -3.941 -7.299 1.00 1.59 H new ATOM 1293 N GLY A 98 1.395 -5.474 -0.716 1.00 0.51 N ATOM 1294 CA GLY A 98 1.123 -5.009 0.630 1.00 0.52 C ATOM 1295 C GLY A 98 2.391 -4.608 1.344 1.00 0.43 C ATOM 1296 O GLY A 98 2.457 -3.532 1.942 1.00 0.48 O ATOM 0 H GLY A 98 1.333 -6.485 -0.836 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.442 -4.159 0.592 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.620 -5.795 1.193 1.00 0.52 H new ATOM 1300 N TYR A 99 3.403 -5.474 1.276 1.00 0.35 N ATOM 1301 CA TYR A 99 4.725 -5.143 1.801 1.00 0.29 C ATOM 1302 C TYR A 99 5.201 -3.836 1.180 1.00 0.31 C ATOM 1303 O TYR A 99 5.752 -2.972 1.854 1.00 0.32 O ATOM 1304 CB TYR A 99 5.768 -6.212 1.453 1.00 0.30 C ATOM 1305 CG TYR A 99 5.426 -7.643 1.800 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.140 -8.044 3.103 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.430 -8.610 0.805 1.00 0.98 C ATOM 1308 CE1 TYR A 99 4.865 -9.366 3.391 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.164 -9.930 1.089 1.00 1.11 C ATOM 1310 CZ TYR A 99 4.882 -10.302 2.381 1.00 0.72 C ATOM 1311 OH TYR A 99 4.628 -11.620 2.665 1.00 0.92 O ATOM 0 H TYR A 99 3.332 -6.405 0.865 1.00 0.35 H new ATOM 0 HA TYR A 99 4.630 -5.071 2.884 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.962 -6.160 0.382 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.699 -5.954 1.958 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.133 -7.312 3.897 1.00 0.64 H new ATOM 0 HD2 TYR A 99 5.646 -8.321 -0.213 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.638 -9.665 4.404 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.177 -10.669 0.301 1.00 1.11 H new ATOM 0 HH TYR A 99 4.257 -11.694 3.569 1.00 0.92 H new ATOM 1321 N TYR A 100 4.972 -3.719 -0.126 1.00 0.34 N ATOM 1322 CA TYR A 100 5.415 -2.567 -0.904 1.00 0.37 C ATOM 1323 C TYR A 100 4.810 -1.272 -0.356 1.00 0.39 C ATOM 1324 O TYR A 100 5.482 -0.244 -0.289 1.00 0.42 O ATOM 1325 CB TYR A 100 5.018 -2.762 -2.373 1.00 0.42 C ATOM 1326 CG TYR A 100 5.961 -2.126 -3.377 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.813 -0.797 -3.760 1.00 0.51 C ATOM 1328 CD2 TYR A 100 6.988 -2.866 -3.958 1.00 0.46 C ATOM 1329 CE1 TYR A 100 6.662 -0.224 -4.689 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.838 -2.295 -4.893 1.00 0.55 C ATOM 1331 CZ TYR A 100 7.670 -0.978 -5.250 1.00 0.60 C ATOM 1332 OH TYR A 100 8.507 -0.417 -6.185 1.00 0.73 O ATOM 0 H TYR A 100 4.474 -4.421 -0.674 1.00 0.34 H new ATOM 0 HA TYR A 100 6.499 -2.487 -0.829 1.00 0.37 H new ATOM 0 HB2 TYR A 100 4.957 -3.831 -2.579 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.020 -2.351 -2.523 1.00 0.42 H new ATOM 0 HD1 TYR A 100 5.023 -0.203 -3.325 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.124 -3.900 -3.676 1.00 0.46 H new ATOM 0 HE1 TYR A 100 6.536 0.810 -4.974 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.628 -2.882 -5.338 1.00 0.55 H new ATOM 0 HH TYR A 100 9.153 -1.088 -6.491 1.00 0.73 H new ATOM 1342 N ARG A 101 3.539 -1.333 0.050 1.00 0.41 N ATOM 1343 CA ARG A 101 2.864 -0.171 0.630 1.00 0.46 C ATOM 1344 C ARG A 101 3.492 0.182 1.977 1.00 0.43 C ATOM 1345 O ARG A 101 3.686 1.356 2.302 1.00 0.46 O ATOM 1346 CB ARG A 101 1.364 -0.437 0.824 1.00 0.53 C ATOM 1347 CG ARG A 101 0.636 -0.909 -0.427 1.00 0.82 C ATOM 1348 CD ARG A 101 0.740 0.089 -1.568 1.00 1.06 C ATOM 1349 NE ARG A 101 0.047 -0.381 -2.773 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.303 0.064 -4.007 1.00 1.58 C ATOM 1351 NH1 ARG A 101 1.242 0.982 -4.201 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.385 -0.404 -5.044 1.00 1.89 N ATOM 0 H ARG A 101 2.960 -2.170 -0.012 1.00 0.41 H new ATOM 0 HA ARG A 101 2.982 0.662 -0.063 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.240 -1.187 1.605 1.00 0.53 H new ATOM 0 HB3 ARG A 101 0.890 0.477 1.181 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.050 -1.866 -0.746 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.414 -1.079 -0.191 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.316 1.043 -1.255 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.790 0.267 -1.800 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.676 -1.092 -2.662 1.00 1.18 H new ATOM 0 HH11 ARG A 101 1.769 1.348 -3.408 1.00 2.34 H new ATOM 0 HH12 ARG A 101 1.437 1.321 -5.143 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.111 -1.105 -4.899 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -0.186 -0.062 -5.984 1.00 1.89 H new ATOM 1366 N ARG A 102 3.815 -0.849 2.751 1.00 0.41 N ATOM 1367 CA ARG A 102 4.421 -0.664 4.066 1.00 0.43 C ATOM 1368 C ARG A 102 5.837 -0.114 3.924 1.00 0.37 C ATOM 1369 O ARG A 102 6.253 0.774 4.671 1.00 0.38 O ATOM 1370 CB ARG A 102 4.448 -1.991 4.829 1.00 0.52 C ATOM 1371 CG ARG A 102 4.912 -1.858 6.266 1.00 0.87 C ATOM 1372 CD ARG A 102 5.042 -3.211 6.938 1.00 1.12 C ATOM 1373 NE ARG A 102 5.356 -3.085 8.360 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.481 -3.533 8.918 1.00 2.58 C ATOM 1375 NH1 ARG A 102 7.434 -4.067 8.162 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.664 -3.422 10.231 1.00 3.57 N ATOM 0 H ARG A 102 3.667 -1.824 2.490 1.00 0.41 H new ATOM 0 HA ARG A 102 3.821 0.052 4.627 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.449 -2.427 4.818 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.105 -2.687 4.307 1.00 0.52 H new ATOM 0 HG2 ARG A 102 5.873 -1.344 6.293 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.205 -1.242 6.822 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.112 -3.766 6.819 1.00 1.12 H new ATOM 0 HD3 ARG A 102 5.823 -3.789 6.443 1.00 1.12 H new ATOM 0 HE ARG A 102 4.673 -2.626 8.962 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.306 -4.135 7.152 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.294 -4.409 8.591 1.00 2.78 H new ATOM 0 HH21 ARG A 102 5.943 -2.994 10.812 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.525 -3.765 10.657 1.00 3.57 H new ATOM 1390 N ALA A 103 6.563 -0.646 2.953 1.00 0.34 N ATOM 1391 CA ALA A 103 7.916 -0.202 2.670 1.00 0.32 C ATOM 1392 C ALA A 103 7.937 1.267 2.273 1.00 0.33 C ATOM 1393 O ALA A 103 8.791 2.024 2.727 1.00 0.35 O ATOM 1394 CB ALA A 103 8.525 -1.054 1.576 1.00 0.33 C ATOM 0 H ALA A 103 6.232 -1.393 2.343 1.00 0.34 H new ATOM 0 HA ALA A 103 8.510 -0.313 3.577 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.540 -0.713 1.371 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.550 -2.095 1.897 1.00 0.33 H new ATOM 0 HB3 ALA A 103 7.924 -0.968 0.671 1.00 0.33 H new ATOM 1400 N ALA A 104 6.987 1.666 1.433 1.00 0.33 N ATOM 1401 CA ALA A 104 6.862 3.057 1.022 1.00 0.35 C ATOM 1402 C ALA A 104 6.612 3.950 2.230 1.00 0.35 C ATOM 1403 O ALA A 104 7.102 5.076 2.296 1.00 0.38 O ATOM 1404 CB ALA A 104 5.740 3.209 0.004 1.00 0.39 C ATOM 0 H ALA A 104 6.291 1.042 1.024 1.00 0.33 H new ATOM 0 HA ALA A 104 7.797 3.366 0.555 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.658 4.254 -0.294 1.00 0.39 H new ATOM 0 HB2 ALA A 104 5.958 2.598 -0.872 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.799 2.884 0.448 1.00 0.39 H new ATOM 1410 N SER A 105 5.863 3.427 3.190 1.00 0.34 N ATOM 1411 CA SER A 105 5.590 4.135 4.431 1.00 0.36 C ATOM 1412 C SER A 105 6.880 4.349 5.225 1.00 0.34 C ATOM 1413 O SER A 105 7.190 5.470 5.622 1.00 0.33 O ATOM 1414 CB SER A 105 4.568 3.349 5.252 1.00 0.40 C ATOM 1415 OG SER A 105 3.312 3.313 4.599 1.00 0.64 O ATOM 0 H SER A 105 5.430 2.505 3.131 1.00 0.34 H new ATOM 0 HA SER A 105 5.177 5.117 4.200 1.00 0.36 H new ATOM 0 HB2 SER A 105 4.928 2.333 5.411 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.458 3.806 6.236 1.00 0.40 H new ATOM 0 HG SER A 105 3.357 2.697 3.838 1.00 0.64 H new ATOM 1421 N ASN A 106 7.639 3.273 5.429 1.00 0.36 N ATOM 1422 CA ASN A 106 8.928 3.350 6.127 1.00 0.37 C ATOM 1423 C ASN A 106 9.905 4.241 5.366 1.00 0.36 C ATOM 1424 O ASN A 106 10.648 5.021 5.966 1.00 0.37 O ATOM 1425 CB ASN A 106 9.529 1.949 6.306 1.00 0.40 C ATOM 1426 CG ASN A 106 8.853 1.154 7.406 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.379 1.719 8.389 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.811 -0.163 7.259 1.00 1.32 N ATOM 0 H ASN A 106 7.385 2.334 5.121 1.00 0.36 H new ATOM 0 HA ASN A 106 8.752 3.787 7.110 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.448 1.402 5.367 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.592 2.041 6.531 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.374 -0.743 7.976 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.215 -0.597 6.429 1.00 1.32 H new ATOM 1435 N MET A 107 9.884 4.127 4.044 1.00 0.38 N ATOM 1436 CA MET A 107 10.745 4.925 3.176 1.00 0.40 C ATOM 1437 C MET A 107 10.410 6.407 3.325 1.00 0.40 C ATOM 1438 O MET A 107 11.295 7.259 3.423 1.00 0.45 O ATOM 1439 CB MET A 107 10.560 4.481 1.719 1.00 0.46 C ATOM 1440 CG MET A 107 11.855 4.341 0.933 1.00 0.44 C ATOM 1441 SD MET A 107 12.644 5.918 0.564 1.00 1.26 S ATOM 1442 CE MET A 107 14.067 5.355 -0.365 1.00 0.70 C ATOM 0 H MET A 107 9.273 3.482 3.543 1.00 0.38 H new ATOM 0 HA MET A 107 11.785 4.774 3.464 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.038 3.524 1.707 1.00 0.46 H new ATOM 0 HB3 MET A 107 9.918 5.201 1.212 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.549 3.720 1.499 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.649 3.819 -0.001 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.223 6.009 -1.223 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.950 5.377 0.273 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.895 4.336 -0.712 1.00 0.70 H new ATOM 1452 N ALA A 108 9.114 6.698 3.363 1.00 0.36 N ATOM 1453 CA ALA A 108 8.624 8.061 3.514 1.00 0.38 C ATOM 1454 C ALA A 108 8.879 8.593 4.924 1.00 0.39 C ATOM 1455 O ALA A 108 9.110 9.786 5.105 1.00 0.43 O ATOM 1456 CB ALA A 108 7.139 8.121 3.187 1.00 0.38 C ATOM 0 H ALA A 108 8.377 5.997 3.290 1.00 0.36 H new ATOM 0 HA ALA A 108 9.170 8.695 2.816 1.00 0.38 H new ATOM 0 HB1 ALA A 108 6.782 9.144 3.303 1.00 0.38 H new ATOM 0 HB2 ALA A 108 6.979 7.795 2.159 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.591 7.467 3.864 1.00 0.38 H new ATOM 1462 N LEU A 109 8.827 7.712 5.916 1.00 0.38 N ATOM 1463 CA LEU A 109 9.101 8.100 7.298 1.00 0.40 C ATOM 1464 C LEU A 109 10.562 8.502 7.470 1.00 0.43 C ATOM 1465 O LEU A 109 10.875 9.459 8.177 1.00 0.65 O ATOM 1466 CB LEU A 109 8.758 6.959 8.263 1.00 0.38 C ATOM 1467 CG LEU A 109 7.265 6.657 8.417 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.057 5.450 9.316 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.531 7.866 8.975 1.00 0.82 C ATOM 0 H LEU A 109 8.598 6.726 5.792 1.00 0.38 H new ATOM 0 HA LEU A 109 8.472 8.959 7.532 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.261 6.054 7.923 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.166 7.201 9.245 1.00 0.38 H new ATOM 0 HG LEU A 109 6.857 6.430 7.432 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.990 5.249 9.415 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.551 4.582 8.879 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.481 5.652 10.300 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.471 7.633 9.078 1.00 0.82 H new ATOM 0 HD22 LEU A 109 6.942 8.123 9.951 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.653 8.710 8.297 1.00 0.82 H new ATOM 1481 N GLY A 110 11.451 7.770 6.818 1.00 0.39 N ATOM 1482 CA GLY A 110 12.863 8.062 6.931 1.00 0.41 C ATOM 1483 C GLY A 110 13.649 6.875 7.440 1.00 0.39 C ATOM 1484 O GLY A 110 14.874 6.928 7.548 1.00 0.47 O ATOM 0 H GLY A 110 11.221 6.981 6.214 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.250 8.362 5.957 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.006 8.907 7.605 1.00 0.41 H new ATOM 1488 N LYS A 111 12.949 5.794 7.757 1.00 0.36 N ATOM 1489 CA LYS A 111 13.611 4.580 8.202 1.00 0.38 C ATOM 1490 C LYS A 111 13.868 3.660 7.016 1.00 0.30 C ATOM 1491 O LYS A 111 13.136 2.700 6.765 1.00 0.32 O ATOM 1492 CB LYS A 111 12.817 3.884 9.313 1.00 0.53 C ATOM 1493 CG LYS A 111 11.333 3.713 9.027 1.00 0.74 C ATOM 1494 CD LYS A 111 10.593 3.228 10.266 1.00 0.54 C ATOM 1495 CE LYS A 111 10.686 4.245 11.391 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.075 3.753 12.652 1.00 1.73 N ATOM 0 H LYS A 111 11.932 5.735 7.714 1.00 0.36 H new ATOM 0 HA LYS A 111 14.576 4.847 8.634 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.254 2.901 9.491 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.931 4.455 10.234 1.00 0.53 H new ATOM 0 HG2 LYS A 111 10.911 4.661 8.695 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.195 3.000 8.214 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.546 3.047 10.021 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.012 2.277 10.595 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.733 4.490 11.569 1.00 1.22 H new ATOM 0 HE3 LYS A 111 10.190 5.166 11.086 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 10.164 4.482 13.388 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 9.069 3.543 12.492 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 10.564 2.888 12.960 1.00 1.73 H new ATOM 1510 N PHE A 112 14.918 3.996 6.276 1.00 0.30 N ATOM 1511 CA PHE A 112 15.247 3.323 5.026 1.00 0.29 C ATOM 1512 C PHE A 112 15.646 1.869 5.247 1.00 0.30 C ATOM 1513 O PHE A 112 15.449 1.032 4.373 1.00 0.34 O ATOM 1514 CB PHE A 112 16.374 4.068 4.309 1.00 0.35 C ATOM 1515 CG PHE A 112 16.085 5.528 4.105 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.199 5.943 3.125 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.692 6.484 4.901 1.00 0.48 C ATOM 1518 CE1 PHE A 112 14.925 7.285 2.943 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.420 7.828 4.725 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.536 8.229 3.746 1.00 0.53 C ATOM 0 H PHE A 112 15.566 4.743 6.526 1.00 0.30 H new ATOM 0 HA PHE A 112 14.350 3.329 4.406 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.293 3.964 4.885 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.550 3.601 3.340 1.00 0.35 H new ATOM 0 HD1 PHE A 112 14.717 5.209 2.496 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.386 6.176 5.669 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.234 7.596 2.174 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.900 8.563 5.354 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.322 9.278 3.607 1.00 0.53 H new ATOM 1530 N ARG A 113 16.204 1.558 6.407 1.00 0.34 N ATOM 1531 CA ARG A 113 16.618 0.188 6.686 1.00 0.38 C ATOM 1532 C ARG A 113 15.400 -0.704 6.873 1.00 0.34 C ATOM 1533 O ARG A 113 15.355 -1.825 6.366 1.00 0.34 O ATOM 1534 CB ARG A 113 17.510 0.118 7.920 1.00 0.49 C ATOM 1535 CG ARG A 113 18.845 0.828 7.764 1.00 1.21 C ATOM 1536 CD ARG A 113 19.726 0.613 8.985 1.00 1.58 C ATOM 1537 NE ARG A 113 19.999 -0.806 9.215 1.00 2.42 N ATOM 1538 CZ ARG A 113 19.643 -1.467 10.317 1.00 3.14 C ATOM 1539 NH1 ARG A 113 18.979 -0.846 11.285 1.00 3.25 N ATOM 1540 NH2 ARG A 113 19.933 -2.759 10.440 1.00 4.15 N ATOM 0 H ARG A 113 16.379 2.222 7.161 1.00 0.34 H new ATOM 0 HA ARG A 113 17.194 -0.166 5.831 1.00 0.38 H new ATOM 0 HB2 ARG A 113 16.977 0.553 8.765 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.694 -0.929 8.163 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.355 0.459 6.874 1.00 1.21 H new ATOM 0 HG3 ARG A 113 18.678 1.895 7.616 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.667 1.147 8.853 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.239 1.037 9.864 1.00 1.58 H new ATOM 0 HE ARG A 113 20.493 -1.322 8.487 1.00 2.42 H new ATOM 0 HH11 ARG A 113 18.739 0.141 11.187 1.00 3.25 H new ATOM 0 HH12 ARG A 113 18.709 -1.356 12.126 1.00 3.25 H new ATOM 0 HH21 ARG A 113 20.428 -3.244 9.691 1.00 4.15 H new ATOM 0 HH22 ARG A 113 19.661 -3.265 11.283 1.00 4.15 H new ATOM 1554 N ALA A 114 14.409 -0.201 7.595 1.00 0.34 N ATOM 1555 CA ALA A 114 13.162 -0.927 7.774 1.00 0.34 C ATOM 1556 C ALA A 114 12.447 -1.070 6.439 1.00 0.28 C ATOM 1557 O ALA A 114 11.972 -2.150 6.092 1.00 0.30 O ATOM 1558 CB ALA A 114 12.275 -0.226 8.789 1.00 0.40 C ATOM 0 H ALA A 114 14.445 0.704 8.064 1.00 0.34 H new ATOM 0 HA ALA A 114 13.387 -1.923 8.156 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.347 -0.785 8.909 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.792 -0.171 9.747 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.049 0.782 8.440 1.00 0.40 H new ATOM 1564 N ALA A 115 12.414 0.020 5.675 1.00 0.26 N ATOM 1565 CA ALA A 115 11.799 0.015 4.354 1.00 0.23 C ATOM 1566 C ALA A 115 12.511 -0.969 3.451 1.00 0.23 C ATOM 1567 O ALA A 115 11.894 -1.633 2.618 1.00 0.25 O ATOM 1568 CB ALA A 115 11.844 1.405 3.742 1.00 0.23 C ATOM 0 H ALA A 115 12.808 0.919 5.951 1.00 0.26 H new ATOM 0 HA ALA A 115 10.757 -0.288 4.459 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.381 1.383 2.756 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.303 2.102 4.382 1.00 0.23 H new ATOM 0 HB3 ALA A 115 12.881 1.728 3.649 1.00 0.23 H new ATOM 1574 N LEU A 116 13.820 -1.066 3.639 1.00 0.24 N ATOM 1575 CA LEU A 116 14.633 -1.971 2.858 1.00 0.28 C ATOM 1576 C LEU A 116 14.235 -3.408 3.121 1.00 0.29 C ATOM 1577 O LEU A 116 14.243 -4.216 2.215 1.00 0.30 O ATOM 1578 CB LEU A 116 16.116 -1.794 3.172 1.00 0.32 C ATOM 1579 CG LEU A 116 17.049 -2.599 2.267 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.869 -2.169 0.825 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.496 -2.443 2.698 1.00 0.49 C ATOM 0 H LEU A 116 14.338 -0.524 4.330 1.00 0.24 H new ATOM 0 HA LEU A 116 14.466 -1.734 1.807 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.370 -0.737 3.089 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.294 -2.084 4.208 1.00 0.32 H new ATOM 0 HG LEU A 116 16.790 -3.654 2.354 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.537 -2.747 0.187 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.837 -2.341 0.520 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.103 -1.109 0.730 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.137 -3.026 2.037 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.780 -1.392 2.645 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.611 -2.799 3.722 1.00 0.49 H new ATOM 1593 N ARG A 117 13.873 -3.718 4.357 1.00 0.34 N ATOM 1594 CA ARG A 117 13.493 -5.079 4.713 1.00 0.40 C ATOM 1595 C ARG A 117 12.163 -5.453 4.080 1.00 0.34 C ATOM 1596 O ARG A 117 11.949 -6.602 3.682 1.00 0.35 O ATOM 1597 CB ARG A 117 13.421 -5.249 6.231 1.00 0.57 C ATOM 1598 CG ARG A 117 14.782 -5.257 6.897 1.00 0.70 C ATOM 1599 CD ARG A 117 14.688 -5.696 8.347 1.00 1.01 C ATOM 1600 NE ARG A 117 15.982 -6.137 8.862 1.00 1.90 N ATOM 1601 CZ ARG A 117 16.136 -6.920 9.927 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.077 -7.311 10.632 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.354 -7.312 10.282 1.00 3.56 N ATOM 0 H ARG A 117 13.834 -3.050 5.127 1.00 0.34 H new ATOM 0 HA ARG A 117 14.261 -5.749 4.327 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.822 -4.441 6.652 1.00 0.57 H new ATOM 0 HB3 ARG A 117 12.906 -6.181 6.461 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.450 -5.927 6.355 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.220 -4.260 6.845 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.317 -4.870 8.954 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.965 -6.507 8.436 1.00 1.01 H new ATOM 0 HE ARG A 117 16.821 -5.825 8.374 1.00 1.90 H new ATOM 0 HH11 ARG A 117 14.142 -7.011 10.357 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.201 -7.911 11.447 1.00 2.45 H new ATOM 0 HH21 ARG A 117 18.164 -7.013 9.740 1.00 3.56 H new ATOM 0 HH22 ARG A 117 17.479 -7.912 11.097 1.00 3.56 H new ATOM 1617 N ASP A 118 11.276 -4.481 3.980 1.00 0.33 N ATOM 1618 CA ASP A 118 9.986 -4.701 3.354 1.00 0.33 C ATOM 1619 C ASP A 118 10.152 -4.838 1.842 1.00 0.28 C ATOM 1620 O ASP A 118 9.615 -5.764 1.232 1.00 0.31 O ATOM 1621 CB ASP A 118 9.019 -3.569 3.701 1.00 0.40 C ATOM 1622 CG ASP A 118 8.588 -3.585 5.157 1.00 0.63 C ATOM 1623 OD1 ASP A 118 7.634 -4.318 5.496 1.00 0.77 O ATOM 1624 OD2 ASP A 118 9.199 -2.863 5.974 1.00 1.06 O ATOM 0 H ASP A 118 11.425 -3.532 4.324 1.00 0.33 H new ATOM 0 HA ASP A 118 9.563 -5.630 3.738 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.492 -2.613 3.478 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.137 -3.644 3.065 1.00 0.40 H new ATOM 1629 N TYR A 119 10.929 -3.933 1.244 1.00 0.24 N ATOM 1630 CA TYR A 119 11.243 -4.009 -0.184 1.00 0.26 C ATOM 1631 C TYR A 119 12.037 -5.274 -0.496 1.00 0.28 C ATOM 1632 O TYR A 119 11.847 -5.903 -1.537 1.00 0.33 O ATOM 1633 CB TYR A 119 12.045 -2.788 -0.640 1.00 0.28 C ATOM 1634 CG TYR A 119 11.226 -1.529 -0.819 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.035 -1.547 -1.536 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.649 -0.322 -0.279 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.290 -0.394 -1.708 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.911 0.835 -0.450 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.733 0.794 -1.165 1.00 0.50 C ATOM 1640 OH TYR A 119 8.995 1.943 -1.340 1.00 0.60 O ATOM 0 H TYR A 119 11.352 -3.140 1.726 1.00 0.24 H new ATOM 0 HA TYR A 119 10.296 -4.033 -0.723 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.832 -2.594 0.089 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.536 -3.024 -1.584 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.686 -2.475 -1.965 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.570 -0.286 0.284 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.365 -0.424 -2.265 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.256 1.766 -0.025 1.00 0.47 H new ATOM 0 HH TYR A 119 9.444 2.691 -0.894 1.00 0.60 H new ATOM 1650 N GLU A 120 12.930 -5.630 0.418 1.00 0.28 N ATOM 1651 CA GLU A 120 13.764 -6.815 0.279 1.00 0.34 C ATOM 1652 C GLU A 120 12.894 -8.048 0.148 1.00 0.37 C ATOM 1653 O GLU A 120 13.137 -8.906 -0.688 1.00 0.43 O ATOM 1654 CB GLU A 120 14.678 -6.970 1.493 1.00 0.36 C ATOM 1655 CG GLU A 120 15.860 -7.890 1.255 1.00 0.42 C ATOM 1656 CD GLU A 120 16.568 -8.288 2.535 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.484 -7.561 2.970 1.00 0.58 O ATOM 1658 OE2 GLU A 120 16.225 -9.353 3.099 1.00 0.61 O ATOM 0 H GLU A 120 13.096 -5.105 1.277 1.00 0.28 H new ATOM 0 HA GLU A 120 14.375 -6.702 -0.616 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.047 -5.987 1.786 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.094 -7.353 2.330 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.517 -8.788 0.742 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.570 -7.396 0.592 1.00 0.42 H new ATOM 1665 N THR A 121 11.876 -8.123 0.987 1.00 0.36 N ATOM 1666 CA THR A 121 10.943 -9.231 0.959 1.00 0.40 C ATOM 1667 C THR A 121 10.229 -9.296 -0.390 1.00 0.40 C ATOM 1668 O THR A 121 10.066 -10.371 -0.967 1.00 0.45 O ATOM 1669 CB THR A 121 9.927 -9.105 2.107 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.629 -9.061 3.360 1.00 0.43 O ATOM 1671 CG2 THR A 121 8.948 -10.271 2.105 1.00 0.47 C ATOM 0 H THR A 121 11.675 -7.423 1.701 1.00 0.36 H new ATOM 0 HA THR A 121 11.501 -10.158 1.094 1.00 0.40 H new ATOM 0 HB THR A 121 9.358 -8.186 1.967 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.083 -8.197 3.451 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.242 -10.155 2.927 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.405 -10.288 1.160 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.495 -11.206 2.226 1.00 0.47 H new ATOM 1679 N VAL A 122 9.844 -8.132 -0.904 1.00 0.37 N ATOM 1680 CA VAL A 122 9.219 -8.040 -2.218 1.00 0.39 C ATOM 1681 C VAL A 122 10.148 -8.605 -3.291 1.00 0.44 C ATOM 1682 O VAL A 122 9.745 -9.442 -4.101 1.00 0.50 O ATOM 1683 CB VAL A 122 8.859 -6.578 -2.572 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.162 -6.499 -3.922 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.983 -5.966 -1.492 1.00 0.36 C ATOM 0 H VAL A 122 9.955 -7.237 -0.428 1.00 0.37 H new ATOM 0 HA VAL A 122 8.300 -8.625 -2.184 1.00 0.39 H new ATOM 0 HB VAL A 122 9.787 -6.010 -2.633 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.920 -5.460 -4.146 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.821 -6.893 -4.695 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.245 -7.087 -3.893 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.741 -4.937 -1.760 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.063 -6.543 -1.399 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.516 -5.978 -0.541 1.00 0.36 H new ATOM 1695 N VAL A 123 11.406 -8.175 -3.261 1.00 0.44 N ATOM 1696 CA VAL A 123 12.383 -8.595 -4.261 1.00 0.51 C ATOM 1697 C VAL A 123 12.913 -10.003 -3.957 1.00 0.57 C ATOM 1698 O VAL A 123 13.703 -10.560 -4.715 1.00 0.67 O ATOM 1699 CB VAL A 123 13.561 -7.591 -4.359 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.528 -7.752 -3.199 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.281 -7.729 -5.694 1.00 0.59 C ATOM 0 H VAL A 123 11.773 -7.536 -2.556 1.00 0.44 H new ATOM 0 HA VAL A 123 11.872 -8.616 -5.223 1.00 0.51 H new ATOM 0 HB VAL A 123 13.144 -6.586 -4.300 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.341 -7.033 -3.300 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.003 -7.576 -2.260 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.936 -8.763 -3.203 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.103 -7.015 -5.740 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.674 -8.741 -5.793 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.582 -7.530 -6.507 1.00 0.59 H new ATOM 1711 N LYS A 124 12.486 -10.569 -2.837 1.00 0.55 N ATOM 1712 CA LYS A 124 12.809 -11.953 -2.519 1.00 0.61 C ATOM 1713 C LYS A 124 11.712 -12.879 -3.025 1.00 0.63 C ATOM 1714 O LYS A 124 11.917 -14.084 -3.168 1.00 0.72 O ATOM 1715 CB LYS A 124 13.030 -12.143 -1.013 1.00 0.62 C ATOM 1716 CG LYS A 124 14.390 -11.642 -0.545 1.00 0.67 C ATOM 1717 CD LYS A 124 14.628 -11.886 0.940 1.00 0.75 C ATOM 1718 CE LYS A 124 13.685 -11.071 1.809 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.119 -11.051 3.231 1.00 1.07 N ATOM 0 H LYS A 124 11.918 -10.094 -2.136 1.00 0.55 H new ATOM 0 HA LYS A 124 13.742 -12.208 -3.022 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.247 -11.617 -0.467 1.00 0.62 H new ATOM 0 HB3 LYS A 124 12.934 -13.201 -0.768 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.172 -12.137 -1.120 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.470 -10.575 -0.751 1.00 0.67 H new ATOM 0 HD2 LYS A 124 14.498 -12.946 1.159 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.659 -11.634 1.188 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.634 -10.050 1.431 1.00 0.67 H new ATOM 0 HE3 LYS A 124 12.679 -11.486 1.742 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.287 -10.945 3.846 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.606 -11.941 3.458 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 14.767 -10.253 3.385 1.00 1.07 H new ATOM 1733 N VAL A 125 10.546 -12.305 -3.296 1.00 0.59 N ATOM 1734 CA VAL A 125 9.445 -13.058 -3.882 1.00 0.63 C ATOM 1735 C VAL A 125 9.471 -12.937 -5.403 1.00 0.69 C ATOM 1736 O VAL A 125 9.378 -13.937 -6.115 1.00 0.75 O ATOM 1737 CB VAL A 125 8.081 -12.587 -3.344 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.950 -13.415 -3.943 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.058 -12.665 -1.824 1.00 0.59 C ATOM 0 H VAL A 125 10.339 -11.322 -3.119 1.00 0.59 H new ATOM 0 HA VAL A 125 9.576 -14.102 -3.598 1.00 0.63 H new ATOM 0 HB VAL A 125 7.933 -11.548 -3.640 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.995 -13.066 -3.550 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.956 -13.309 -5.028 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.089 -14.464 -3.681 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.088 -12.329 -1.457 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.228 -13.695 -1.510 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.841 -12.027 -1.415 1.00 0.59 H new ATOM 1749 N LYS A 126 9.599 -11.712 -5.902 1.00 0.68 N ATOM 1750 CA LYS A 126 9.815 -11.496 -7.327 1.00 0.76 C ATOM 1751 C LYS A 126 11.141 -10.768 -7.549 1.00 0.75 C ATOM 1752 O LYS A 126 11.180 -9.551 -7.719 1.00 0.73 O ATOM 1753 CB LYS A 126 8.643 -10.752 -8.005 1.00 0.80 C ATOM 1754 CG LYS A 126 7.587 -10.164 -7.069 1.00 0.73 C ATOM 1755 CD LYS A 126 7.925 -8.748 -6.621 1.00 0.71 C ATOM 1756 CE LYS A 126 6.716 -7.820 -6.698 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.258 -7.581 -8.092 1.00 1.12 N ATOM 0 H LYS A 126 9.557 -10.859 -5.344 1.00 0.68 H new ATOM 0 HA LYS A 126 9.863 -12.475 -7.803 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.054 -9.943 -8.609 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.149 -11.442 -8.689 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.621 -10.161 -7.574 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.487 -10.804 -6.193 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.300 -8.771 -5.598 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.726 -8.352 -7.245 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.897 -8.249 -6.121 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.967 -6.866 -6.235 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.250 -7.326 -8.087 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 6.809 -6.805 -8.510 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 6.394 -8.445 -8.655 1.00 1.12 H new ATOM 1771 N PRO A 127 12.253 -11.528 -7.523 1.00 0.80 N ATOM 1772 CA PRO A 127 13.616 -10.976 -7.561 1.00 0.83 C ATOM 1773 C PRO A 127 13.975 -10.286 -8.870 1.00 0.92 C ATOM 1774 O PRO A 127 14.694 -9.290 -8.872 1.00 0.96 O ATOM 1775 CB PRO A 127 14.508 -12.205 -7.354 1.00 0.87 C ATOM 1776 CG PRO A 127 13.675 -13.358 -7.785 1.00 0.97 C ATOM 1777 CD PRO A 127 12.265 -12.997 -7.424 1.00 0.86 C ATOM 0 HA PRO A 127 13.733 -10.196 -6.808 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.421 -12.135 -7.945 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.810 -12.303 -6.311 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.772 -13.533 -8.857 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.985 -14.275 -7.283 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.547 -13.452 -8.106 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.008 -13.334 -6.420 1.00 0.86 H new ATOM 1785 N HIS A 128 13.495 -10.816 -9.983 1.00 0.99 N ATOM 1786 CA HIS A 128 13.829 -10.253 -11.286 1.00 1.12 C ATOM 1787 C HIS A 128 12.703 -9.370 -11.799 1.00 1.04 C ATOM 1788 O HIS A 128 12.607 -9.094 -12.993 1.00 1.11 O ATOM 1789 CB HIS A 128 14.154 -11.362 -12.289 1.00 1.33 C ATOM 1790 CG HIS A 128 15.532 -11.927 -12.122 1.00 2.00 C ATOM 1791 ND1 HIS A 128 16.369 -12.186 -13.182 1.00 2.75 N ATOM 1792 CD2 HIS A 128 16.221 -12.274 -11.009 1.00 2.49 C ATOM 1793 CE1 HIS A 128 17.514 -12.662 -12.732 1.00 3.56 C ATOM 1794 NE2 HIS A 128 17.447 -12.724 -11.418 1.00 3.37 N ATOM 0 H HIS A 128 12.878 -11.628 -10.014 1.00 0.99 H new ATOM 0 HA HIS A 128 14.717 -9.632 -11.169 1.00 1.12 H new ATOM 0 HB2 HIS A 128 13.424 -12.165 -12.182 1.00 1.33 H new ATOM 0 HB3 HIS A 128 14.050 -10.970 -13.301 1.00 1.33 H new ATOM 0 HD2 HIS A 128 15.869 -12.208 -9.990 1.00 2.49 H new ATOM 0 HE1 HIS A 128 18.361 -12.951 -13.337 1.00 3.56 H new ATOM 0 HE2 HIS A 128 18.191 -13.055 -10.803 1.00 3.37 H new ATOM 1803 N ASP A 129 11.867 -8.914 -10.880 1.00 0.92 N ATOM 1804 CA ASP A 129 10.784 -8.000 -11.216 1.00 0.89 C ATOM 1805 C ASP A 129 11.219 -6.555 -11.013 1.00 0.83 C ATOM 1806 O ASP A 129 11.588 -6.158 -9.910 1.00 0.80 O ATOM 1807 CB ASP A 129 9.554 -8.295 -10.367 1.00 0.89 C ATOM 1808 CG ASP A 129 8.461 -7.267 -10.555 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.891 -7.183 -11.665 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.172 -6.534 -9.593 1.00 1.11 O ATOM 0 H ASP A 129 11.917 -9.162 -9.892 1.00 0.92 H new ATOM 0 HA ASP A 129 10.531 -8.146 -12.266 1.00 0.89 H new ATOM 0 HB2 ASP A 129 9.168 -9.282 -10.623 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.841 -8.327 -9.316 1.00 0.89 H new ATOM 1815 N LYS A 130 11.193 -5.791 -12.098 1.00 0.85 N ATOM 1816 CA LYS A 130 11.575 -4.375 -12.083 1.00 0.89 C ATOM 1817 C LYS A 130 10.880 -3.587 -10.969 1.00 0.84 C ATOM 1818 O LYS A 130 11.492 -2.717 -10.359 1.00 0.84 O ATOM 1819 CB LYS A 130 11.285 -3.707 -13.442 1.00 1.04 C ATOM 1820 CG LYS A 130 9.805 -3.439 -13.735 1.00 1.18 C ATOM 1821 CD LYS A 130 8.977 -4.713 -13.815 1.00 1.44 C ATOM 1822 CE LYS A 130 7.490 -4.409 -13.789 1.00 2.28 C ATOM 1823 NZ LYS A 130 6.684 -5.628 -13.523 1.00 3.05 N ATOM 0 H LYS A 130 10.907 -6.131 -13.016 1.00 0.85 H new ATOM 0 HA LYS A 130 12.647 -4.354 -11.888 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.825 -2.761 -13.486 1.00 1.04 H new ATOM 0 HB3 LYS A 130 11.687 -4.340 -14.233 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.397 -2.795 -12.956 1.00 1.18 H new ATOM 0 HG3 LYS A 130 9.719 -2.896 -14.676 1.00 1.18 H new ATOM 0 HD2 LYS A 130 9.224 -5.252 -14.729 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.231 -5.367 -12.981 1.00 1.44 H new ATOM 0 HE2 LYS A 130 7.285 -3.663 -13.022 1.00 2.28 H new ATOM 0 HE3 LYS A 130 7.190 -3.976 -14.743 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 5.747 -5.353 -13.164 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.572 -6.169 -14.404 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 7.167 -6.216 -12.814 1.00 3.05 H new ATOM 1837 N ASP A 131 9.618 -3.906 -10.695 1.00 0.86 N ATOM 1838 CA ASP A 131 8.829 -3.147 -9.731 1.00 0.90 C ATOM 1839 C ASP A 131 9.390 -3.349 -8.335 1.00 0.77 C ATOM 1840 O ASP A 131 9.598 -2.390 -7.589 1.00 0.80 O ATOM 1841 CB ASP A 131 7.359 -3.575 -9.794 1.00 1.05 C ATOM 1842 CG ASP A 131 6.465 -2.760 -8.879 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.240 -1.564 -9.170 1.00 1.60 O ATOM 1844 OD2 ASP A 131 5.961 -3.317 -7.881 1.00 1.82 O ATOM 0 H ASP A 131 9.121 -4.685 -11.127 1.00 0.86 H new ATOM 0 HA ASP A 131 8.885 -2.087 -9.978 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.002 -3.481 -10.820 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.281 -4.628 -9.525 1.00 1.05 H new ATOM 1849 N ALA A 132 9.661 -4.604 -8.008 1.00 0.69 N ATOM 1850 CA ALA A 132 10.281 -4.953 -6.740 1.00 0.62 C ATOM 1851 C ALA A 132 11.709 -4.433 -6.669 1.00 0.59 C ATOM 1852 O ALA A 132 12.091 -3.774 -5.697 1.00 0.56 O ATOM 1853 CB ALA A 132 10.277 -6.458 -6.547 1.00 0.65 C ATOM 0 H ALA A 132 9.459 -5.403 -8.609 1.00 0.69 H new ATOM 0 HA ALA A 132 9.700 -4.486 -5.945 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.744 -6.704 -5.593 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.250 -6.823 -6.552 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.834 -6.930 -7.356 1.00 0.65 H new ATOM 1859 N LYS A 133 12.493 -4.732 -7.705 1.00 0.63 N ATOM 1860 CA LYS A 133 13.895 -4.339 -7.737 1.00 0.66 C ATOM 1861 C LYS A 133 14.043 -2.851 -7.536 1.00 0.65 C ATOM 1862 O LYS A 133 14.737 -2.425 -6.634 1.00 0.63 O ATOM 1863 CB LYS A 133 14.567 -4.710 -9.061 1.00 0.74 C ATOM 1864 CG LYS A 133 14.635 -6.195 -9.330 1.00 0.75 C ATOM 1865 CD LYS A 133 15.533 -6.509 -10.516 1.00 0.95 C ATOM 1866 CE LYS A 133 15.000 -5.901 -11.803 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.913 -6.141 -12.950 1.00 1.93 N ATOM 0 H LYS A 133 12.179 -5.244 -8.529 1.00 0.63 H new ATOM 0 HA LYS A 133 14.381 -4.881 -6.926 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.026 -4.229 -9.876 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.579 -4.305 -9.067 1.00 0.74 H new ATOM 0 HG2 LYS A 133 15.008 -6.709 -8.444 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.632 -6.577 -9.521 1.00 0.75 H new ATOM 0 HD2 LYS A 133 16.536 -6.130 -10.323 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.618 -7.589 -10.632 1.00 0.95 H new ATOM 0 HE2 LYS A 133 14.020 -6.323 -12.025 1.00 1.21 H new ATOM 0 HE3 LYS A 133 14.862 -4.828 -11.668 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 15.513 -5.711 -13.808 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.841 -5.716 -12.750 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.025 -7.165 -13.096 1.00 1.93 H new ATOM 1881 N MET A 134 13.353 -2.082 -8.363 1.00 0.68 N ATOM 1882 CA MET A 134 13.558 -0.643 -8.451 1.00 0.72 C ATOM 1883 C MET A 134 13.599 0.035 -7.084 1.00 0.65 C ATOM 1884 O MET A 134 14.570 0.718 -6.755 1.00 0.68 O ATOM 1885 CB MET A 134 12.455 -0.018 -9.308 1.00 0.78 C ATOM 1886 CG MET A 134 12.538 1.497 -9.413 1.00 0.84 C ATOM 1887 SD MET A 134 11.287 2.183 -10.517 1.00 0.97 S ATOM 1888 CE MET A 134 9.783 1.566 -9.765 1.00 1.61 C ATOM 0 H MET A 134 12.634 -2.437 -8.993 1.00 0.68 H new ATOM 0 HA MET A 134 14.532 -0.485 -8.913 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.502 -0.445 -10.310 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.486 -0.291 -8.890 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.421 1.934 -8.421 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.528 1.779 -9.771 1.00 0.84 H new ATOM 0 HE1 MET A 134 9.041 2.363 -9.729 1.00 1.61 H new ATOM 0 HE2 MET A 134 9.395 0.736 -10.355 1.00 1.61 H new ATOM 0 HE3 MET A 134 9.997 1.223 -8.753 1.00 1.61 H new ATOM 1898 N LYS A 135 12.558 -0.158 -6.287 1.00 0.59 N ATOM 1899 CA LYS A 135 12.482 0.489 -4.985 1.00 0.54 C ATOM 1900 C LYS A 135 13.448 -0.147 -3.998 1.00 0.48 C ATOM 1901 O LYS A 135 13.968 0.525 -3.109 1.00 0.46 O ATOM 1902 CB LYS A 135 11.057 0.453 -4.449 1.00 0.54 C ATOM 1903 CG LYS A 135 10.321 1.777 -4.586 1.00 0.65 C ATOM 1904 CD LYS A 135 10.323 2.277 -6.020 1.00 0.76 C ATOM 1905 CE LYS A 135 9.556 3.586 -6.161 1.00 1.05 C ATOM 1906 NZ LYS A 135 10.091 4.652 -5.269 1.00 1.94 N ATOM 0 H LYS A 135 11.761 -0.752 -6.516 1.00 0.59 H new ATOM 0 HA LYS A 135 12.774 1.532 -5.111 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.499 -0.320 -4.977 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.080 0.167 -3.397 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.293 1.659 -4.244 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.788 2.521 -3.941 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.351 2.419 -6.354 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.878 1.523 -6.669 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.604 3.923 -7.196 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.505 3.415 -5.930 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 10.045 5.569 -5.758 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 9.523 4.694 -4.399 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 11.079 4.438 -5.027 1.00 1.94 H new ATOM 1920 N TYR A 136 13.704 -1.437 -4.164 1.00 0.48 N ATOM 1921 CA TYR A 136 14.690 -2.116 -3.340 1.00 0.46 C ATOM 1922 C TYR A 136 16.089 -1.572 -3.627 1.00 0.47 C ATOM 1923 O TYR A 136 16.856 -1.331 -2.706 1.00 0.48 O ATOM 1924 CB TYR A 136 14.639 -3.633 -3.563 1.00 0.48 C ATOM 1925 CG TYR A 136 15.837 -4.370 -3.009 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.909 -4.748 -1.675 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.903 -4.682 -3.832 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.016 -5.418 -1.185 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.009 -5.346 -3.359 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.066 -5.714 -2.033 1.00 0.54 C ATOM 1931 OH TYR A 136 19.173 -6.379 -1.554 1.00 0.59 O ATOM 0 H TYR A 136 13.246 -2.029 -4.857 1.00 0.48 H new ATOM 0 HA TYR A 136 14.453 -1.923 -2.294 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.735 -4.029 -3.101 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.564 -3.832 -4.632 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.090 -4.516 -1.011 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.866 -4.397 -4.873 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.059 -5.708 -0.146 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.829 -5.578 -4.023 1.00 0.57 H new ATOM 0 HH TYR A 136 19.817 -6.509 -2.281 1.00 0.59 H new ATOM 1941 N GLN A 137 16.406 -1.366 -4.907 1.00 0.49 N ATOM 1942 CA GLN A 137 17.692 -0.797 -5.305 1.00 0.51 C ATOM 1943 C GLN A 137 17.801 0.598 -4.719 1.00 0.53 C ATOM 1944 O GLN A 137 18.827 0.988 -4.166 1.00 0.57 O ATOM 1945 CB GLN A 137 17.813 -0.687 -6.836 1.00 0.55 C ATOM 1946 CG GLN A 137 17.374 -1.916 -7.619 1.00 0.61 C ATOM 1947 CD GLN A 137 18.221 -3.133 -7.372 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.715 -4.018 -6.552 1.00 2.09 O flip ATOM 1949 NE2 GLN A 137 19.286 -3.301 -7.962 1.00 1.24 N flip ATOM 0 H GLN A 137 15.786 -1.586 -5.687 1.00 0.49 H new ATOM 0 HA GLN A 137 18.484 -1.451 -4.940 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.221 0.165 -7.169 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.852 -0.470 -7.086 1.00 0.55 H new ATOM 0 HG2 GLN A 137 16.340 -2.147 -7.363 1.00 0.61 H new ATOM 0 HG3 GLN A 137 17.394 -1.682 -8.683 1.00 0.61 H new ATOM 0 HE21 GLN A 137 19.639 -2.581 -8.592 1.00 1.24 H new ATOM 0 HE22 GLN A 137 19.817 -4.161 -7.822 1.00 1.24 H new ATOM 1958 N GLU A 138 16.703 1.326 -4.852 1.00 0.53 N ATOM 1959 CA GLU A 138 16.587 2.691 -4.376 1.00 0.57 C ATOM 1960 C GLU A 138 16.838 2.785 -2.872 1.00 0.54 C ATOM 1961 O GLU A 138 17.607 3.631 -2.412 1.00 0.60 O ATOM 1962 CB GLU A 138 15.193 3.203 -4.731 1.00 0.60 C ATOM 1963 CG GLU A 138 14.829 4.535 -4.113 1.00 0.69 C ATOM 1964 CD GLU A 138 13.555 5.093 -4.700 1.00 1.33 C ATOM 1965 OE1 GLU A 138 13.627 5.779 -5.740 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.483 4.874 -4.105 1.00 2.04 O ATOM 0 H GLU A 138 15.856 0.977 -5.301 1.00 0.53 H new ATOM 0 HA GLU A 138 17.346 3.309 -4.857 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.118 3.289 -5.815 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.458 2.461 -4.419 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.712 4.417 -3.036 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.643 5.243 -4.269 1.00 0.69 H new ATOM 1973 N CYS A 139 16.202 1.911 -2.111 1.00 0.47 N ATOM 1974 CA CYS A 139 16.381 1.907 -0.671 1.00 0.44 C ATOM 1975 C CYS A 139 17.759 1.352 -0.314 1.00 0.43 C ATOM 1976 O CYS A 139 18.431 1.871 0.575 1.00 0.42 O ATOM 1977 CB CYS A 139 15.281 1.086 0.006 1.00 0.42 C ATOM 1978 SG CYS A 139 14.779 1.720 1.621 1.00 1.06 S ATOM 0 H CYS A 139 15.561 1.200 -2.464 1.00 0.47 H new ATOM 0 HA CYS A 139 16.313 2.933 -0.309 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.410 1.056 -0.648 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.628 0.059 0.122 1.00 0.42 H new ATOM 0 HG CYS A 139 15.414 1.077 2.556 1.00 1.06 H new ATOM 1984 N ASN A 140 18.179 0.313 -1.041 1.00 0.45 N ATOM 1985 CA ASN A 140 19.470 -0.334 -0.812 1.00 0.48 C ATOM 1986 C ASN A 140 20.601 0.674 -0.916 1.00 0.52 C ATOM 1987 O ASN A 140 21.388 0.843 0.023 1.00 0.54 O ATOM 1988 CB ASN A 140 19.704 -1.460 -1.828 1.00 0.52 C ATOM 1989 CG ASN A 140 20.991 -2.222 -1.558 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.411 -2.368 -0.410 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.629 -2.704 -2.613 1.00 1.13 N ATOM 0 H ASN A 140 17.636 -0.100 -1.800 1.00 0.45 H new ATOM 0 HA ASN A 140 19.454 -0.756 0.193 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.862 -2.152 -1.801 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.738 -1.039 -2.833 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.502 -3.218 -2.491 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.248 -2.562 -3.548 1.00 1.13 H new ATOM 1998 N LYS A 141 20.666 1.351 -2.060 1.00 0.56 N ATOM 1999 CA LYS A 141 21.701 2.336 -2.302 1.00 0.63 C ATOM 2000 C LYS A 141 21.692 3.389 -1.204 1.00 0.60 C ATOM 2001 O LYS A 141 22.721 3.646 -0.595 1.00 0.65 O ATOM 2002 CB LYS A 141 21.534 3.000 -3.679 1.00 0.70 C ATOM 2003 CG LYS A 141 20.207 3.712 -3.864 1.00 0.69 C ATOM 2004 CD LYS A 141 20.220 4.650 -5.054 1.00 0.81 C ATOM 2005 CE LYS A 141 18.876 5.346 -5.208 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.843 6.264 -6.376 1.00 1.15 N ATOM 0 H LYS A 141 20.010 1.231 -2.832 1.00 0.56 H new ATOM 0 HA LYS A 141 22.662 1.821 -2.294 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.342 3.716 -3.826 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.637 2.239 -4.453 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.416 2.974 -3.995 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.971 4.276 -2.962 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.007 5.393 -4.928 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.451 4.091 -5.961 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.092 4.596 -5.317 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.655 5.909 -4.301 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.907 6.714 -6.438 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.572 6.997 -6.262 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.026 5.725 -7.246 1.00 1.15 H new ATOM 2020 N ILE A 142 20.514 3.946 -0.916 1.00 0.54 N ATOM 2021 CA ILE A 142 20.393 5.054 0.028 1.00 0.52 C ATOM 2022 C ILE A 142 20.846 4.660 1.431 1.00 0.49 C ATOM 2023 O ILE A 142 21.463 5.459 2.139 1.00 0.51 O ATOM 2024 CB ILE A 142 18.952 5.611 0.057 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.705 6.429 -1.212 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.707 6.449 1.306 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.344 7.093 -1.265 1.00 0.60 C ATOM 0 H ILE A 142 19.629 3.646 -1.325 1.00 0.54 H new ATOM 0 HA ILE A 142 21.058 5.843 -0.323 1.00 0.52 H new ATOM 0 HB ILE A 142 18.250 4.778 0.090 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.475 7.196 -1.292 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.813 5.777 -2.079 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.684 6.826 1.296 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.858 5.833 2.193 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.403 7.288 1.324 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.248 7.653 -2.195 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.566 6.331 -1.218 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.238 7.773 -0.420 1.00 0.60 H new ATOM 2039 N VAL A 143 20.563 3.429 1.827 1.00 0.46 N ATOM 2040 CA VAL A 143 21.062 2.920 3.095 1.00 0.47 C ATOM 2041 C VAL A 143 22.588 3.003 3.133 1.00 0.56 C ATOM 2042 O VAL A 143 23.180 3.344 4.159 1.00 0.59 O ATOM 2043 CB VAL A 143 20.609 1.466 3.350 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.319 0.887 4.562 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.102 1.404 3.544 1.00 0.41 C ATOM 0 H VAL A 143 19.996 2.769 1.295 1.00 0.46 H new ATOM 0 HA VAL A 143 20.643 3.543 3.885 1.00 0.47 H new ATOM 0 HB VAL A 143 20.873 0.869 2.477 1.00 0.47 H new ATOM 0 HG11 VAL A 143 20.985 -0.138 4.724 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.396 0.896 4.392 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.086 1.488 5.441 1.00 0.55 H new ATOM 0 HG21 VAL A 143 18.800 0.372 3.723 1.00 0.41 H new ATOM 0 HG22 VAL A 143 18.820 2.018 4.399 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.604 1.778 2.649 1.00 0.41 H new ATOM 2055 N LYS A 144 23.217 2.718 2.001 1.00 0.63 N ATOM 2056 CA LYS A 144 24.670 2.772 1.914 1.00 0.74 C ATOM 2057 C LYS A 144 25.149 4.201 1.723 1.00 0.76 C ATOM 2058 O LYS A 144 26.272 4.537 2.091 1.00 0.85 O ATOM 2059 CB LYS A 144 25.172 1.899 0.771 1.00 0.84 C ATOM 2060 CG LYS A 144 24.420 0.595 0.670 1.00 0.83 C ATOM 2061 CD LYS A 144 25.152 -0.422 -0.184 1.00 1.10 C ATOM 2062 CE LYS A 144 25.237 0.011 -1.635 1.00 1.57 C ATOM 2063 NZ LYS A 144 25.970 -0.989 -2.451 1.00 2.23 N ATOM 0 H LYS A 144 22.748 2.449 1.136 1.00 0.63 H new ATOM 0 HA LYS A 144 25.075 2.392 2.852 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.076 2.444 -0.168 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.233 1.693 0.913 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.268 0.186 1.669 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.432 0.779 0.247 1.00 0.83 H new ATOM 0 HD2 LYS A 144 26.158 -0.570 0.210 1.00 1.10 H new ATOM 0 HD3 LYS A 144 24.641 -1.383 -0.122 1.00 1.10 H new ATOM 0 HE2 LYS A 144 24.233 0.146 -2.036 1.00 1.57 H new ATOM 0 HE3 LYS A 144 25.739 0.976 -1.700 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 26.013 -0.667 -3.439 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 26.936 -1.099 -2.081 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.476 -1.903 -2.406 1.00 2.23 H new ATOM 2077 N GLN A 145 24.298 5.037 1.136 1.00 0.70 N ATOM 2078 CA GLN A 145 24.601 6.454 1.018 1.00 0.74 C ATOM 2079 C GLN A 145 24.714 7.050 2.408 1.00 0.75 C ATOM 2080 O GLN A 145 25.486 7.977 2.653 1.00 0.84 O ATOM 2081 CB GLN A 145 23.520 7.189 0.236 1.00 0.71 C ATOM 2082 CG GLN A 145 23.078 6.440 -0.996 1.00 0.72 C ATOM 2083 CD GLN A 145 22.131 7.225 -1.875 1.00 0.94 C ATOM 2084 OE1 GLN A 145 21.387 8.086 -1.405 1.00 1.36 O ATOM 2085 NE2 GLN A 145 22.155 6.932 -3.166 1.00 1.27 N ATOM 0 H GLN A 145 23.401 4.758 0.738 1.00 0.70 H new ATOM 0 HA GLN A 145 25.541 6.565 0.478 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.659 7.355 0.883 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.893 8.171 -0.056 1.00 0.71 H new ATOM 0 HG2 GLN A 145 23.957 6.165 -1.579 1.00 0.72 H new ATOM 0 HG3 GLN A 145 22.594 5.512 -0.692 1.00 0.72 H new ATOM 0 HE21 GLN A 145 22.787 6.211 -3.514 1.00 1.27 H new ATOM 0 HE22 GLN A 145 21.541 7.427 -3.813 1.00 1.27 H new ATOM 2094 N LYS A 146 23.927 6.488 3.309 1.00 0.67 N ATOM 2095 CA LYS A 146 23.904 6.908 4.692 1.00 0.70 C ATOM 2096 C LYS A 146 25.060 6.295 5.469 1.00 0.84 C ATOM 2097 O LYS A 146 25.941 7.005 5.950 1.00 0.94 O ATOM 2098 CB LYS A 146 22.583 6.506 5.338 1.00 0.58 C ATOM 2099 CG LYS A 146 21.382 7.245 4.778 1.00 0.58 C ATOM 2100 CD LYS A 146 20.090 6.830 5.467 1.00 0.64 C ATOM 2101 CE LYS A 146 19.875 7.558 6.791 1.00 1.40 C ATOM 2102 NZ LYS A 146 20.894 7.208 7.814 1.00 1.73 N ATOM 0 H LYS A 146 23.285 5.725 3.097 1.00 0.67 H new ATOM 0 HA LYS A 146 24.007 7.993 4.717 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.434 5.435 5.204 1.00 0.58 H new ATOM 0 HB3 LYS A 146 22.643 6.688 6.411 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.528 8.319 4.897 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.302 7.050 3.708 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.248 7.031 4.805 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.106 5.755 5.645 1.00 0.64 H new ATOM 0 HE2 LYS A 146 19.897 8.634 6.616 1.00 1.40 H new ATOM 0 HE3 LYS A 146 18.884 7.318 7.175 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 20.456 7.216 8.757 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 21.273 6.260 7.616 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 21.667 7.903 7.786 1.00 1.73 H new ATOM 2116 N ALA A 147 25.052 4.975 5.585 1.00 1.04 N ATOM 2117 CA ALA A 147 26.085 4.273 6.328 1.00 1.25 C ATOM 2118 C ALA A 147 27.146 3.733 5.383 1.00 1.72 C ATOM 2119 O ALA A 147 28.071 4.497 5.037 1.00 2.32 O ATOM 2120 CB ALA A 147 25.476 3.148 7.154 1.00 1.87 C ATOM 2121 OXT ALA A 147 27.049 2.554 4.982 1.00 2.18 O ATOM 0 H ALA A 147 24.341 4.370 5.174 1.00 1.04 H new ATOM 0 HA ALA A 147 26.561 4.978 7.009 1.00 1.25 H new ATOM 0 HB1 ALA A 147 26.264 2.633 7.704 1.00 1.87 H new ATOM 0 HB2 ALA A 147 24.754 3.563 7.857 1.00 1.87 H new ATOM 0 HB3 ALA A 147 24.974 2.442 6.493 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 -0.946 4.686 -10.421 1.00 5.84 C HETATM 2129 O ACE B 0 -1.247 5.748 -9.874 1.00 5.72 O HETATM 2130 CH3 ACE B 0 0.237 3.880 -9.948 1.00 6.73 C HETATM 0 H1 ACE B 0 -0.099 2.893 -9.630 1.00 6.73 H new HETATM 0 H2 ACE B 0 0.954 3.774 -10.762 1.00 6.73 H new HETATM 0 H3 ACE B 0 0.712 4.389 -9.109 1.00 6.73 H new ATOM 2134 N MET B 1 -1.624 4.187 -11.449 1.00 5.58 N ATOM 2135 CA MET B 1 -2.807 4.852 -11.976 1.00 5.12 C ATOM 2136 C MET B 1 -3.999 3.907 -11.907 1.00 4.50 C ATOM 2137 O MET B 1 -5.011 4.210 -11.281 1.00 4.70 O ATOM 2138 CB MET B 1 -2.561 5.311 -13.414 1.00 5.46 C ATOM 2139 CG MET B 1 -3.679 6.166 -13.983 1.00 6.11 C ATOM 2140 SD MET B 1 -3.275 6.827 -15.609 1.00 6.75 S ATOM 2141 CE MET B 1 -4.745 7.783 -15.955 1.00 6.84 C ATOM 0 H MET B 1 -1.374 3.325 -11.933 1.00 5.58 H new ATOM 0 HA MET B 1 -3.023 5.733 -11.372 1.00 5.12 H new ATOM 0 HB2 MET B 1 -1.629 5.876 -13.451 1.00 5.46 H new ATOM 0 HB3 MET B 1 -2.428 4.434 -14.048 1.00 5.46 H new ATOM 0 HG2 MET B 1 -4.590 5.571 -14.051 1.00 6.11 H new ATOM 0 HG3 MET B 1 -3.887 6.990 -13.300 1.00 6.11 H new ATOM 0 HE1 MET B 1 -4.649 8.257 -16.932 1.00 6.84 H new ATOM 0 HE2 MET B 1 -5.615 7.126 -15.954 1.00 6.84 H new ATOM 0 HE3 MET B 1 -4.869 8.550 -15.190 1.00 6.84 H new ATOM 2151 N GLU B 2 -3.866 2.758 -12.554 1.00 4.17 N ATOM 2152 CA GLU B 2 -4.848 1.693 -12.428 1.00 3.92 C ATOM 2153 C GLU B 2 -4.264 0.556 -11.609 1.00 3.09 C ATOM 2154 O GLU B 2 -3.041 0.440 -11.491 1.00 3.38 O ATOM 2155 CB GLU B 2 -5.308 1.193 -13.798 1.00 4.79 C ATOM 2156 CG GLU B 2 -6.404 2.047 -14.410 1.00 5.50 C ATOM 2157 CD GLU B 2 -7.637 2.108 -13.531 1.00 6.27 C ATOM 2158 OE1 GLU B 2 -8.470 1.182 -13.599 1.00 6.76 O ATOM 2159 OE2 GLU B 2 -7.778 3.072 -12.760 1.00 6.64 O ATOM 0 H GLU B 2 -3.085 2.540 -13.173 1.00 4.17 H new ATOM 0 HA GLU B 2 -5.725 2.090 -11.916 1.00 3.92 H new ATOM 0 HB2 GLU B 2 -4.454 1.170 -14.475 1.00 4.79 H new ATOM 0 HB3 GLU B 2 -5.666 0.168 -13.702 1.00 4.79 H new ATOM 0 HG2 GLU B 2 -6.027 3.056 -14.575 1.00 5.50 H new ATOM 0 HG3 GLU B 2 -6.675 1.644 -15.386 1.00 5.50 H new ATOM 2166 N GLU B 3 -5.141 -0.276 -11.058 1.00 2.63 N ATOM 2167 CA GLU B 3 -4.745 -1.315 -10.113 1.00 2.33 C ATOM 2168 C GLU B 3 -4.082 -0.654 -8.910 1.00 1.99 C ATOM 2169 O GLU B 3 -2.936 -0.952 -8.553 1.00 2.69 O ATOM 2170 CB GLU B 3 -3.810 -2.343 -10.764 1.00 2.76 C ATOM 2171 CG GLU B 3 -3.662 -3.627 -9.960 1.00 3.28 C ATOM 2172 CD GLU B 3 -2.655 -4.583 -10.561 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -2.998 -5.281 -11.537 1.00 4.29 O ATOM 2174 OE2 GLU B 3 -1.514 -4.649 -10.053 1.00 4.07 O ATOM 0 H GLU B 3 -6.142 -0.250 -11.252 1.00 2.63 H new ATOM 0 HA GLU B 3 -5.631 -1.861 -9.789 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -4.187 -2.587 -11.757 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -2.826 -1.893 -10.899 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -3.359 -3.380 -8.942 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -4.631 -4.122 -9.893 1.00 3.28 H new ATOM 2181 N VAL B 4 -4.822 0.281 -8.316 1.00 1.33 N ATOM 2182 CA VAL B 4 -4.365 1.033 -7.154 1.00 1.08 C ATOM 2183 C VAL B 4 -4.058 0.090 -5.992 1.00 0.96 C ATOM 2184 O VAL B 4 -3.236 0.389 -5.125 1.00 1.58 O ATOM 2185 CB VAL B 4 -5.427 2.081 -6.728 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -6.741 1.410 -6.349 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -4.917 2.946 -5.586 1.00 1.88 C ATOM 0 H VAL B 4 -5.758 0.537 -8.630 1.00 1.33 H new ATOM 0 HA VAL B 4 -3.450 1.559 -7.427 1.00 1.08 H new ATOM 0 HB VAL B 4 -5.613 2.728 -7.585 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -7.466 2.169 -6.055 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -7.125 0.853 -7.204 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -6.574 0.726 -5.517 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -5.682 3.671 -5.309 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -4.686 2.316 -4.727 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -4.016 3.472 -5.902 1.00 1.88 H new ATOM 2197 N ASP B 5 -4.725 -1.054 -5.996 1.00 0.80 N ATOM 2198 CA ASP B 5 -4.477 -2.101 -5.025 1.00 0.80 C ATOM 2199 C ASP B 5 -3.250 -2.903 -5.429 1.00 1.61 C ATOM 2200 O ASP B 5 -3.394 -3.911 -6.149 1.00 2.34 O ATOM 2201 CB ASP B 5 -5.719 -3.000 -4.864 1.00 1.41 C ATOM 2202 CG ASP B 5 -6.370 -3.426 -6.177 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -6.546 -2.576 -7.080 1.00 3.06 O ATOM 2204 OD2 ASP B 5 -6.771 -4.608 -6.294 1.00 2.81 O ATOM 2205 OXT ASP B 5 -2.126 -2.484 -5.063 1.00 2.28 O ATOM 0 H ASP B 5 -5.453 -1.280 -6.674 1.00 0.80 H new ATOM 0 HA ASP B 5 -4.279 -1.647 -4.054 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -5.435 -3.893 -4.308 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -6.458 -2.472 -4.262 1.00 1.41 H new TER 2210 ASP B 5