USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 MET CE :methyl 147:sc= -2.2! (180deg=-3.7!) USER MOD Set 1.2: A 139 CYS SG : rot -91:sc= -0.0924 USER MOD Set 2.1: A 75 THR OG1 : rot 125:sc= 0.427 USER MOD Set 2.2: A 77 CYS SG : rot 40:sc= 1.33 USER MOD Set 3.1: A 51 TYR OH : rot 62:sc= 0.442 USER MOD Set 3.2: A 67 ASN : amide:sc= 1.48 K(o=1.9,f=-4!) USER MOD Set 4.1: A 58 ASN : amide:sc= -2.41! C(o=-2.5!,f=-7.4!) USER MOD Set 4.2: A 61 ASN : amide:sc= -0.107 K(o=-2.5,f=-7.4) USER MOD Set 5.1: A 46 ASN : amide:sc= 0.906! C(o=2.1!,f=-6.2!) USER MOD Set 5.2: A 49 LYS NZ :NH3+ 158:sc= 1.15 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0987) USER MOD Single : A 33 THR OG1 : rot 74:sc= 0.253 USER MOD Single : A 34 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.2!) USER MOD Single : A 36 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc=-0.00655 (180deg=-0.11) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 85:sc= 1.35 USER MOD Single : A 53 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -85:sc= 1.22 USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 1.95 K(o=1.9,f=-4.6!) USER MOD Single : A 86 THR OG1 : rot 89:sc= 1.31 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0157 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -5:sc= -2.25! USER MOD Single : A 100 TYR OH : rot 36:sc= 0.704 USER MOD Single : A 105 SER OG : rot 70:sc= 0.763 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.115 F(o=-1.9!,f=-0.11) USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= -0.0271 (180deg=-0.197) USER MOD Single : A 119 TYR OH : rot 15:sc= -0.22 USER MOD Single : A 121 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 124 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.11) USER MOD Single : A 126 LYS NZ :NH3+ -159:sc= 0.282 (180deg=0.039) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -166:sc=-0.00724 (180deg=-0.174) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -164:sc= -0.0678 (180deg=-0.48) USER MOD Single : A 135 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.839) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= -0.785 K(o=-0.79,f=-1.7) 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= -0.202 K(o=-0.2,f=-3.8!) USER MOD Single : A 146 LYS NZ :NH3+ 174:sc=-0.00215 (180deg=-0.06) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.884 -13.969 7.013 1.00 0.78 N ATOM 28 CA PRO A 19 -17.698 -12.936 6.009 1.00 0.70 C ATOM 29 C PRO A 19 -19.040 -12.362 5.612 1.00 0.65 C ATOM 30 O PRO A 19 -19.984 -13.118 5.367 1.00 0.70 O ATOM 31 CB PRO A 19 -17.080 -13.666 4.809 1.00 0.71 C ATOM 32 CG PRO A 19 -17.079 -15.119 5.171 1.00 0.75 C ATOM 33 CD PRO A 19 -17.139 -15.185 6.672 1.00 0.84 C ATOM 0 HA PRO A 19 -17.076 -12.116 6.368 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.660 -13.489 3.903 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -16.068 -13.311 4.614 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.933 -15.630 4.726 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -16.182 -15.611 4.797 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.649 -16.084 7.019 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -16.145 -15.190 7.118 1.00 0.84 H new ATOM 41 N PRO A 20 -19.166 -11.036 5.581 1.00 0.58 N ATOM 42 CA PRO A 20 -20.389 -10.400 5.133 1.00 0.54 C ATOM 43 C PRO A 20 -20.775 -10.933 3.768 1.00 0.55 C ATOM 44 O PRO A 20 -19.938 -11.457 3.030 1.00 0.58 O ATOM 45 CB PRO A 20 -20.038 -8.917 5.079 1.00 0.49 C ATOM 46 CG PRO A 20 -18.895 -8.769 6.027 1.00 0.50 C ATOM 47 CD PRO A 20 -18.137 -10.063 5.969 1.00 0.56 C ATOM 0 HA PRO A 20 -21.241 -10.589 5.785 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.759 -8.612 4.070 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.884 -8.298 5.377 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -18.258 -7.931 5.742 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -19.250 -8.570 7.038 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.326 -10.023 5.242 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.690 -10.312 6.932 1.00 0.56 H new ATOM 55 N ALA A 21 -22.029 -10.837 3.443 1.00 0.56 N ATOM 56 CA ALA A 21 -22.523 -11.470 2.249 1.00 0.63 C ATOM 57 C ALA A 21 -22.120 -10.713 0.985 1.00 0.60 C ATOM 58 O ALA A 21 -21.480 -9.667 1.046 1.00 0.60 O ATOM 59 CB ALA A 21 -24.029 -11.628 2.348 1.00 0.72 C ATOM 0 H ALA A 21 -22.730 -10.329 3.983 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.066 -12.456 2.169 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.405 -12.107 1.444 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.274 -12.243 3.214 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.491 -10.647 2.457 1.00 0.72 H new ATOM 65 N ASP A 22 -22.538 -11.281 -0.133 1.00 0.64 N ATOM 66 CA ASP A 22 -22.352 -10.758 -1.492 1.00 0.70 C ATOM 67 C ASP A 22 -22.504 -9.243 -1.558 1.00 0.67 C ATOM 68 O ASP A 22 -21.521 -8.555 -1.366 1.00 1.01 O ATOM 69 CB ASP A 22 -23.307 -11.451 -2.471 1.00 1.01 C ATOM 70 CG ASP A 22 -23.128 -10.995 -3.908 1.00 1.54 C ATOM 71 OD1 ASP A 22 -22.155 -11.421 -4.559 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.978 -10.221 -4.397 1.00 2.34 O ATOM 0 H ASP A 22 -23.044 -12.167 -0.126 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.327 -10.982 -1.786 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -23.153 -12.529 -2.417 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -24.335 -11.260 -2.162 1.00 1.01 H new ATOM 77 N GLY A 23 -23.659 -8.752 -2.017 1.00 0.72 N ATOM 78 CA GLY A 23 -23.918 -7.310 -2.115 1.00 0.69 C ATOM 79 C GLY A 23 -23.075 -6.437 -1.183 1.00 0.61 C ATOM 80 O GLY A 23 -22.477 -5.464 -1.632 1.00 0.60 O ATOM 0 H GLY A 23 -24.435 -9.336 -2.329 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.742 -6.993 -3.143 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.972 -7.130 -1.902 1.00 0.69 H new ATOM 84 N ALA A 24 -23.011 -6.787 0.101 1.00 0.59 N ATOM 85 CA ALA A 24 -22.163 -6.069 1.058 1.00 0.55 C ATOM 86 C ALA A 24 -20.683 -6.136 0.658 1.00 0.48 C ATOM 87 O ALA A 24 -20.015 -5.108 0.523 1.00 0.44 O ATOM 88 CB ALA A 24 -22.353 -6.646 2.456 1.00 0.56 C ATOM 0 H ALA A 24 -23.535 -7.563 0.505 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.464 -5.021 1.054 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.720 -6.107 3.161 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.397 -6.543 2.753 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -22.079 -7.701 2.455 1.00 0.56 H new ATOM 94 N LEU A 25 -20.185 -7.351 0.466 1.00 0.49 N ATOM 95 CA LEU A 25 -18.793 -7.583 0.084 1.00 0.48 C ATOM 96 C LEU A 25 -18.470 -6.983 -1.272 1.00 0.51 C ATOM 97 O LEU A 25 -17.430 -6.358 -1.446 1.00 0.53 O ATOM 98 CB LEU A 25 -18.475 -9.083 0.063 1.00 0.47 C ATOM 99 CG LEU A 25 -18.324 -9.731 1.433 1.00 0.48 C ATOM 100 CD1 LEU A 25 -17.254 -10.810 1.415 1.00 0.53 C ATOM 101 CD2 LEU A 25 -18.002 -8.684 2.472 1.00 0.49 C ATOM 0 H LEU A 25 -20.733 -8.205 0.570 1.00 0.49 H new ATOM 0 HA LEU A 25 -18.175 -7.090 0.835 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.267 -9.599 -0.480 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.553 -9.235 -0.497 1.00 0.47 H new ATOM 0 HG LEU A 25 -19.271 -10.204 1.691 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -17.169 -11.255 2.407 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.527 -11.581 0.694 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.298 -10.370 1.131 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.896 -9.159 3.447 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -17.069 -8.185 2.209 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.807 -7.951 2.511 1.00 0.49 H new ATOM 113 N LYS A 26 -19.365 -7.167 -2.231 1.00 0.55 N ATOM 114 CA LYS A 26 -19.138 -6.669 -3.580 1.00 0.59 C ATOM 115 C LYS A 26 -19.212 -5.146 -3.590 1.00 0.52 C ATOM 116 O LYS A 26 -18.651 -4.494 -4.464 1.00 0.53 O ATOM 117 CB LYS A 26 -20.168 -7.245 -4.549 1.00 0.68 C ATOM 118 CG LYS A 26 -21.321 -6.301 -4.808 1.00 0.73 C ATOM 119 CD LYS A 26 -22.532 -7.030 -5.355 1.00 0.82 C ATOM 120 CE LYS A 26 -23.620 -6.053 -5.759 1.00 0.93 C ATOM 121 NZ LYS A 26 -24.833 -6.754 -6.248 1.00 1.53 N ATOM 0 H LYS A 26 -20.251 -7.655 -2.102 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.146 -6.985 -3.902 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.679 -7.481 -5.494 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.554 -8.182 -4.147 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.590 -5.793 -3.882 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -21.010 -5.532 -5.515 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.240 -7.631 -6.216 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.917 -7.718 -4.602 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.881 -5.426 -4.906 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.243 -5.391 -6.538 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -25.555 -6.054 -6.515 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -24.589 -7.333 -7.077 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -25.207 -7.367 -5.496 1.00 1.53 H new ATOM 135 N ARG A 27 -19.929 -4.586 -2.622 1.00 0.49 N ATOM 136 CA ARG A 27 -19.993 -3.146 -2.469 1.00 0.45 C ATOM 137 C ARG A 27 -18.709 -2.650 -1.832 1.00 0.39 C ATOM 138 O ARG A 27 -18.251 -1.546 -2.111 1.00 0.37 O ATOM 139 CB ARG A 27 -21.193 -2.735 -1.622 1.00 0.49 C ATOM 140 CG ARG A 27 -21.259 -1.243 -1.318 1.00 0.45 C ATOM 141 CD ARG A 27 -21.267 -0.423 -2.588 1.00 0.51 C ATOM 142 NE ARG A 27 -21.594 0.981 -2.339 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.178 1.785 -3.228 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.565 1.321 -4.411 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.405 3.054 -2.917 1.00 2.11 N ATOM 0 H ARG A 27 -20.471 -5.110 -1.935 1.00 0.49 H new ATOM 0 HA ARG A 27 -20.111 -2.696 -3.455 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -22.107 -3.030 -2.138 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -21.166 -3.286 -0.682 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.156 -1.027 -0.738 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.406 -0.957 -0.703 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.289 -0.487 -3.066 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -21.991 -0.844 -3.286 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.360 1.370 -1.426 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -22.416 0.340 -4.647 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -23.011 1.946 -5.083 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -22.133 3.411 -2.001 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.851 3.673 -3.594 1.00 2.11 H new ATOM 159 N ALA A 28 -18.128 -3.466 -0.969 1.00 0.39 N ATOM 160 CA ALA A 28 -16.812 -3.166 -0.448 1.00 0.37 C ATOM 161 C ALA A 28 -15.818 -3.215 -1.599 1.00 0.37 C ATOM 162 O ALA A 28 -14.926 -2.375 -1.719 1.00 0.36 O ATOM 163 CB ALA A 28 -16.430 -4.141 0.663 1.00 0.42 C ATOM 0 H ALA A 28 -18.543 -4.330 -0.620 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.805 -2.169 -0.007 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.437 -3.894 1.038 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.153 -4.068 1.475 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.427 -5.158 0.270 1.00 0.42 H new ATOM 169 N GLU A 29 -16.018 -4.210 -2.455 1.00 0.43 N ATOM 170 CA GLU A 29 -15.309 -4.321 -3.719 1.00 0.47 C ATOM 171 C GLU A 29 -15.572 -3.099 -4.595 1.00 0.45 C ATOM 172 O GLU A 29 -14.703 -2.655 -5.346 1.00 0.48 O ATOM 173 CB GLU A 29 -15.764 -5.591 -4.441 1.00 0.55 C ATOM 174 CG GLU A 29 -15.112 -6.858 -3.909 1.00 0.84 C ATOM 175 CD GLU A 29 -15.368 -8.065 -4.788 1.00 1.52 C ATOM 176 OE1 GLU A 29 -16.406 -8.733 -4.612 1.00 2.41 O ATOM 177 OE2 GLU A 29 -14.516 -8.362 -5.652 1.00 1.83 O ATOM 0 H GLU A 29 -16.682 -4.966 -2.288 1.00 0.43 H new ATOM 0 HA GLU A 29 -14.238 -4.374 -3.522 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -16.846 -5.683 -4.350 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.540 -5.495 -5.504 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.037 -6.699 -3.823 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -15.486 -7.060 -2.905 1.00 0.84 H new ATOM 184 N GLU A 30 -16.774 -2.550 -4.471 1.00 0.43 N ATOM 185 CA GLU A 30 -17.166 -1.369 -5.219 1.00 0.44 C ATOM 186 C GLU A 30 -16.394 -0.172 -4.737 1.00 0.41 C ATOM 187 O GLU A 30 -15.816 0.554 -5.524 1.00 0.48 O ATOM 188 CB GLU A 30 -18.652 -1.081 -5.047 1.00 0.47 C ATOM 189 CG GLU A 30 -19.456 -1.256 -6.307 1.00 0.64 C ATOM 190 CD GLU A 30 -18.783 -0.641 -7.519 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.871 0.594 -7.685 1.00 1.52 O ATOM 192 OE2 GLU A 30 -18.179 -1.385 -8.319 1.00 1.72 O ATOM 0 H GLU A 30 -17.499 -2.911 -3.851 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.953 -1.559 -6.271 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -19.053 -1.740 -4.277 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.775 -0.059 -4.688 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.617 -2.319 -6.486 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.438 -0.803 -6.173 1.00 0.64 H new ATOM 199 N LEU A 31 -16.396 0.020 -3.431 1.00 0.36 N ATOM 200 CA LEU A 31 -15.716 1.144 -2.818 1.00 0.36 C ATOM 201 C LEU A 31 -14.219 1.061 -3.077 1.00 0.37 C ATOM 202 O LEU A 31 -13.535 2.076 -3.135 1.00 0.41 O ATOM 203 CB LEU A 31 -16.015 1.168 -1.325 1.00 0.35 C ATOM 204 CG LEU A 31 -17.503 1.239 -0.973 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.696 1.113 0.522 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.129 2.532 -1.463 1.00 0.42 C ATOM 0 H LEU A 31 -16.867 -0.596 -2.768 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.079 2.072 -3.260 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.590 0.274 -0.868 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.509 2.025 -0.880 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.000 0.408 -1.474 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.759 1.165 0.757 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.296 0.158 0.861 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.172 1.925 1.026 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.186 2.549 -1.196 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.624 3.379 -0.999 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.027 2.598 -2.546 1.00 0.42 H new ATOM 218 N LYS A 32 -13.724 -0.159 -3.243 1.00 0.37 N ATOM 219 CA LYS A 32 -12.357 -0.385 -3.686 1.00 0.41 C ATOM 220 C LYS A 32 -12.148 0.262 -5.053 1.00 0.43 C ATOM 221 O LYS A 32 -11.156 0.953 -5.289 1.00 0.47 O ATOM 222 CB LYS A 32 -12.088 -1.888 -3.784 1.00 0.44 C ATOM 223 CG LYS A 32 -10.669 -2.246 -4.195 1.00 0.76 C ATOM 224 CD LYS A 32 -10.565 -3.717 -4.568 1.00 0.70 C ATOM 225 CE LYS A 32 -11.244 -4.002 -5.900 1.00 0.67 C ATOM 226 NZ LYS A 32 -10.474 -3.452 -7.046 1.00 1.15 N ATOM 0 H LYS A 32 -14.256 -1.013 -3.075 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.668 0.058 -2.967 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.300 -2.347 -2.818 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.782 -2.323 -4.503 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -10.365 -1.630 -5.041 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.983 -2.025 -3.377 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -9.516 -4.006 -4.624 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -11.022 -4.325 -3.787 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -11.360 -5.079 -6.025 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -12.245 -3.572 -5.896 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -10.864 -3.823 -7.936 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -10.542 -2.414 -7.044 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -9.477 -3.734 -6.961 1.00 1.15 H new ATOM 240 N THR A 33 -13.111 0.039 -5.933 1.00 0.43 N ATOM 241 CA THR A 33 -13.079 0.571 -7.283 1.00 0.47 C ATOM 242 C THR A 33 -13.350 2.078 -7.281 1.00 0.47 C ATOM 243 O THR A 33 -12.692 2.840 -7.989 1.00 0.52 O ATOM 244 CB THR A 33 -14.126 -0.154 -8.153 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.872 -1.566 -8.131 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.104 0.344 -9.587 1.00 0.57 C ATOM 0 H THR A 33 -13.940 -0.519 -5.728 1.00 0.43 H new ATOM 0 HA THR A 33 -12.085 0.404 -7.699 1.00 0.47 H new ATOM 0 HB THR A 33 -15.112 0.057 -7.739 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.141 -1.933 -7.263 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.855 -0.190 -10.169 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.323 1.412 -9.605 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.118 0.168 -10.018 1.00 0.57 H new ATOM 254 N GLN A 34 -14.320 2.496 -6.479 1.00 0.44 N ATOM 255 CA GLN A 34 -14.662 3.906 -6.339 1.00 0.46 C ATOM 256 C GLN A 34 -13.501 4.702 -5.764 1.00 0.46 C ATOM 257 O GLN A 34 -13.190 5.787 -6.242 1.00 0.51 O ATOM 258 CB GLN A 34 -15.900 4.065 -5.459 1.00 0.48 C ATOM 259 CG GLN A 34 -17.107 3.338 -6.016 1.00 0.50 C ATOM 260 CD GLN A 34 -18.419 3.762 -5.389 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.569 4.891 -4.923 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.390 2.860 -5.401 1.00 1.31 N ATOM 0 H GLN A 34 -14.890 1.871 -5.909 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.879 4.299 -7.332 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.682 3.688 -4.460 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.134 5.124 -5.356 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.157 3.508 -7.092 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -16.974 2.266 -5.868 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.222 1.935 -5.798 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.305 3.091 -5.014 1.00 1.31 H new ATOM 271 N ALA A 35 -12.856 4.161 -4.745 1.00 0.43 N ATOM 272 CA ALA A 35 -11.704 4.814 -4.149 1.00 0.44 C ATOM 273 C ALA A 35 -10.542 4.851 -5.132 1.00 0.48 C ATOM 274 O ALA A 35 -9.770 5.805 -5.162 1.00 0.50 O ATOM 275 CB ALA A 35 -11.308 4.103 -2.877 1.00 0.42 C ATOM 0 H ALA A 35 -13.110 3.272 -4.314 1.00 0.43 H new ATOM 0 HA ALA A 35 -11.970 5.842 -3.904 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.443 4.599 -2.437 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.139 4.129 -2.172 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.056 3.067 -3.103 1.00 0.42 H new ATOM 281 N ASN A 36 -10.431 3.804 -5.938 1.00 0.53 N ATOM 282 CA ASN A 36 -9.472 3.776 -7.036 1.00 0.61 C ATOM 283 C ASN A 36 -9.788 4.920 -8.000 1.00 0.63 C ATOM 284 O ASN A 36 -8.898 5.614 -8.483 1.00 0.67 O ATOM 285 CB ASN A 36 -9.551 2.416 -7.751 1.00 0.69 C ATOM 286 CG ASN A 36 -8.484 2.205 -8.814 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.029 3.139 -9.465 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.074 0.957 -8.991 1.00 2.01 N ATOM 0 H ASN A 36 -10.996 2.959 -5.852 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.458 3.905 -6.657 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.469 1.623 -7.008 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.533 2.319 -8.214 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -7.358 0.749 -9.687 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -8.475 0.204 -8.431 1.00 2.01 H new ATOM 295 N ASP A 37 -11.078 5.140 -8.219 1.00 0.63 N ATOM 296 CA ASP A 37 -11.560 6.202 -9.095 1.00 0.68 C ATOM 297 C ASP A 37 -11.279 7.572 -8.484 1.00 0.65 C ATOM 298 O ASP A 37 -11.133 8.563 -9.198 1.00 0.68 O ATOM 299 CB ASP A 37 -13.062 6.012 -9.339 1.00 0.73 C ATOM 300 CG ASP A 37 -13.632 6.979 -10.351 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.262 6.888 -11.540 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.472 7.821 -9.968 1.00 1.04 O ATOM 0 H ASP A 37 -11.822 4.586 -7.794 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.034 6.150 -10.048 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.241 4.992 -9.681 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.594 6.130 -8.395 1.00 0.73 H new ATOM 307 N TYR A 38 -11.195 7.620 -7.162 1.00 0.60 N ATOM 308 CA TYR A 38 -10.826 8.842 -6.464 1.00 0.58 C ATOM 309 C TYR A 38 -9.318 9.038 -6.467 1.00 0.57 C ATOM 310 O TYR A 38 -8.844 10.166 -6.529 1.00 0.57 O ATOM 311 CB TYR A 38 -11.384 8.848 -5.045 1.00 0.54 C ATOM 312 CG TYR A 38 -12.832 9.282 -4.989 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.160 10.630 -4.959 1.00 0.59 C ATOM 314 CD2 TYR A 38 -13.867 8.354 -4.980 1.00 0.63 C ATOM 315 CE1 TYR A 38 -14.477 11.044 -4.918 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.187 8.759 -4.942 1.00 0.67 C ATOM 317 CZ TYR A 38 -15.487 10.104 -4.909 1.00 0.65 C ATOM 318 OH TYR A 38 -16.801 10.514 -4.870 1.00 0.71 O ATOM 0 H TYR A 38 -11.378 6.824 -6.551 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.269 9.683 -6.998 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.292 7.849 -4.618 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -10.785 9.516 -4.426 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -12.372 11.368 -4.968 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -13.635 7.299 -5.003 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -14.715 12.097 -4.893 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -15.980 8.026 -4.938 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.389 9.730 -4.870 1.00 0.71 H new ATOM 328 N PHE A 39 -8.561 7.950 -6.424 1.00 0.57 N ATOM 329 CA PHE A 39 -7.122 8.031 -6.594 1.00 0.57 C ATOM 330 C PHE A 39 -6.811 8.507 -8.011 1.00 0.63 C ATOM 331 O PHE A 39 -5.914 9.323 -8.225 1.00 0.67 O ATOM 332 CB PHE A 39 -6.473 6.674 -6.317 1.00 0.58 C ATOM 333 CG PHE A 39 -4.985 6.675 -6.502 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.145 7.136 -5.500 1.00 0.55 C ATOM 335 CD2 PHE A 39 -4.425 6.216 -7.682 1.00 0.70 C ATOM 336 CE1 PHE A 39 -2.779 7.137 -5.674 1.00 0.59 C ATOM 337 CE2 PHE A 39 -3.060 6.215 -7.861 1.00 0.73 C ATOM 338 CZ PHE A 39 -2.233 6.676 -6.856 1.00 0.65 C ATOM 0 H PHE A 39 -8.920 7.007 -6.274 1.00 0.57 H new ATOM 0 HA PHE A 39 -6.711 8.746 -5.881 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -6.704 6.371 -5.296 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -6.913 5.928 -6.978 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -4.566 7.498 -4.574 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -5.067 5.854 -8.472 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.135 7.498 -4.886 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -2.636 5.854 -8.787 1.00 0.73 H new ATOM 0 HZ PHE A 39 -1.162 6.676 -6.994 1.00 0.65 H new ATOM 348 N LYS A 40 -7.584 8.001 -8.972 1.00 0.66 N ATOM 349 CA LYS A 40 -7.509 8.459 -10.357 1.00 0.74 C ATOM 350 C LYS A 40 -7.993 9.902 -10.470 1.00 0.73 C ATOM 351 O LYS A 40 -7.602 10.631 -11.382 1.00 0.79 O ATOM 352 CB LYS A 40 -8.352 7.559 -11.266 1.00 0.82 C ATOM 353 CG LYS A 40 -7.814 6.143 -11.401 1.00 1.18 C ATOM 354 CD LYS A 40 -8.808 5.233 -12.112 1.00 1.09 C ATOM 355 CE LYS A 40 -9.165 5.753 -13.497 1.00 1.56 C ATOM 356 NZ LYS A 40 -10.200 4.911 -14.154 1.00 2.26 N ATOM 0 H LYS A 40 -8.275 7.267 -8.813 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.468 8.409 -10.675 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -9.369 7.515 -10.876 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.410 8.011 -12.256 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -6.875 6.161 -11.954 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -7.594 5.741 -10.412 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -8.386 4.232 -12.198 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -9.714 5.147 -11.512 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -9.527 6.778 -13.418 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -8.269 5.778 -14.118 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -10.416 5.298 -15.095 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -9.845 3.938 -14.252 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -11.064 4.907 -13.575 1.00 2.26 H new ATOM 370 N ALA A 41 -8.848 10.304 -9.535 1.00 0.68 N ATOM 371 CA ALA A 41 -9.345 11.671 -9.489 1.00 0.70 C ATOM 372 C ALA A 41 -8.386 12.557 -8.718 1.00 0.71 C ATOM 373 O ALA A 41 -8.573 13.773 -8.642 1.00 0.78 O ATOM 374 CB ALA A 41 -10.718 11.733 -8.850 1.00 0.68 C ATOM 0 H ALA A 41 -9.211 9.699 -8.798 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.423 12.030 -10.515 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.063 12.767 -8.830 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.416 11.128 -9.429 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.663 11.349 -7.832 1.00 0.68 H new ATOM 380 N LYS A 42 -7.383 11.912 -8.125 1.00 0.68 N ATOM 381 CA LYS A 42 -6.310 12.579 -7.396 1.00 0.70 C ATOM 382 C LYS A 42 -6.776 13.050 -6.018 1.00 0.66 C ATOM 383 O LYS A 42 -6.138 13.895 -5.391 1.00 0.70 O ATOM 384 CB LYS A 42 -5.729 13.745 -8.208 1.00 0.82 C ATOM 385 CG LYS A 42 -5.262 13.354 -9.607 1.00 0.96 C ATOM 386 CD LYS A 42 -4.396 12.102 -9.592 1.00 1.41 C ATOM 387 CE LYS A 42 -3.111 12.312 -8.809 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.215 13.300 -9.465 1.00 2.30 N ATOM 0 H LYS A 42 -7.293 10.896 -8.139 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.517 11.847 -7.243 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -6.484 14.527 -8.293 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -4.888 14.172 -7.661 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.130 13.186 -10.245 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -4.699 14.179 -10.045 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.958 11.277 -9.154 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.155 11.815 -10.615 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.352 12.653 -7.802 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -2.589 11.361 -8.707 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -1.286 13.290 -8.998 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.100 13.052 -10.469 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.631 14.250 -9.388 1.00 2.30 H new ATOM 402 N ASP A 43 -7.871 12.471 -5.539 1.00 0.61 N ATOM 403 CA ASP A 43 -8.357 12.755 -4.196 1.00 0.58 C ATOM 404 C ASP A 43 -8.101 11.557 -3.298 1.00 0.52 C ATOM 405 O ASP A 43 -8.848 10.574 -3.323 1.00 0.54 O ATOM 406 CB ASP A 43 -9.848 13.080 -4.187 1.00 0.61 C ATOM 407 CG ASP A 43 -10.272 13.733 -2.884 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.325 13.035 -1.852 1.00 0.60 O ATOM 409 OD2 ASP A 43 -10.550 14.951 -2.879 1.00 0.73 O ATOM 0 H ASP A 43 -8.438 11.803 -6.061 1.00 0.61 H new ATOM 0 HA ASP A 43 -7.819 13.628 -3.828 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.081 13.744 -5.020 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.421 12.165 -4.339 1.00 0.61 H new ATOM 414 N TYR A 44 -7.043 11.631 -2.513 1.00 0.48 N ATOM 415 CA TYR A 44 -6.612 10.492 -1.725 1.00 0.45 C ATOM 416 C TYR A 44 -7.449 10.334 -0.463 1.00 0.44 C ATOM 417 O TYR A 44 -7.587 9.235 0.046 1.00 0.43 O ATOM 418 CB TYR A 44 -5.140 10.630 -1.357 1.00 0.45 C ATOM 419 CG TYR A 44 -4.283 11.125 -2.500 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.065 10.335 -3.625 1.00 0.49 C ATOM 421 CD2 TYR A 44 -3.689 12.380 -2.455 1.00 0.57 C ATOM 422 CE1 TYR A 44 -3.278 10.783 -4.669 1.00 0.57 C ATOM 423 CE2 TYR A 44 -2.904 12.835 -3.496 1.00 0.65 C ATOM 424 CZ TYR A 44 -2.702 12.034 -4.600 1.00 0.64 C ATOM 425 OH TYR A 44 -1.906 12.478 -5.632 1.00 0.75 O ATOM 0 H TYR A 44 -6.467 12.466 -2.404 1.00 0.48 H new ATOM 0 HA TYR A 44 -6.750 9.599 -2.335 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.045 11.318 -0.517 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -4.764 9.663 -1.022 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -4.518 9.356 -3.683 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -3.844 13.010 -1.592 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -3.115 10.157 -5.534 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -2.450 13.814 -3.446 1.00 0.65 H new ATOM 0 HH TYR A 44 -1.579 13.379 -5.428 1.00 0.75 H new ATOM 435 N GLU A 45 -8.019 11.425 0.032 1.00 0.48 N ATOM 436 CA GLU A 45 -8.785 11.370 1.275 1.00 0.50 C ATOM 437 C GLU A 45 -10.176 10.781 1.055 1.00 0.46 C ATOM 438 O GLU A 45 -10.699 10.094 1.927 1.00 0.43 O ATOM 439 CB GLU A 45 -8.888 12.746 1.919 1.00 0.61 C ATOM 440 CG GLU A 45 -9.098 13.861 0.922 1.00 0.76 C ATOM 441 CD GLU A 45 -9.406 15.181 1.586 1.00 0.87 C ATOM 442 OE1 GLU A 45 -10.580 15.407 1.943 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.480 15.999 1.752 1.00 1.17 O ATOM 0 H GLU A 45 -7.968 12.348 -0.399 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.245 10.710 1.954 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.713 12.745 2.631 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -7.978 12.942 2.486 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -8.204 13.967 0.307 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -9.916 13.596 0.252 1.00 0.76 H new ATOM 450 N ASN A 46 -10.782 11.056 -0.094 1.00 0.48 N ATOM 451 CA ASN A 46 -12.022 10.385 -0.465 1.00 0.48 C ATOM 452 C ASN A 46 -11.737 8.923 -0.731 1.00 0.43 C ATOM 453 O ASN A 46 -12.514 8.053 -0.356 1.00 0.43 O ATOM 454 CB ASN A 46 -12.664 11.025 -1.692 1.00 0.53 C ATOM 455 CG ASN A 46 -13.534 12.217 -1.355 1.00 0.60 C ATOM 456 OD1 ASN A 46 -14.746 12.090 -1.201 1.00 0.66 O ATOM 457 ND2 ASN A 46 -12.923 13.379 -1.238 1.00 0.63 N ATOM 0 H ASN A 46 -10.440 11.731 -0.778 1.00 0.48 H new ATOM 0 HA ASN A 46 -12.726 10.483 0.361 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -11.881 11.338 -2.382 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.266 10.279 -2.210 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -13.459 14.217 -1.011 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -11.914 13.441 -1.374 1.00 0.63 H new ATOM 464 N ALA A 47 -10.601 8.657 -1.365 1.00 0.41 N ATOM 465 CA ALA A 47 -10.134 7.291 -1.538 1.00 0.38 C ATOM 466 C ALA A 47 -9.979 6.630 -0.168 1.00 0.34 C ATOM 467 O ALA A 47 -10.447 5.514 0.056 1.00 0.32 O ATOM 468 CB ALA A 47 -8.821 7.280 -2.304 1.00 0.40 C ATOM 0 H ALA A 47 -9.989 9.368 -1.766 1.00 0.41 H new ATOM 0 HA ALA A 47 -10.863 6.725 -2.117 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.481 6.252 -2.428 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -8.968 7.734 -3.284 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.072 7.846 -1.750 1.00 0.40 H new ATOM 474 N ILE A 48 -9.338 7.357 0.743 1.00 0.34 N ATOM 475 CA ILE A 48 -9.220 6.956 2.141 1.00 0.32 C ATOM 476 C ILE A 48 -10.591 6.656 2.740 1.00 0.29 C ATOM 477 O ILE A 48 -10.795 5.626 3.384 1.00 0.28 O ATOM 478 CB ILE A 48 -8.520 8.070 2.961 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.009 7.988 2.777 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.882 8.010 4.439 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.257 9.123 3.429 1.00 0.42 C ATOM 0 H ILE A 48 -8.884 8.245 0.531 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.618 6.048 2.183 1.00 0.32 H new ATOM 0 HB ILE A 48 -8.876 9.028 2.582 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.652 7.044 3.188 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -6.781 7.978 1.711 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.368 8.810 4.972 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.959 8.131 4.555 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.579 7.047 4.849 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.188 8.998 3.256 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -6.585 10.070 3.001 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.454 9.122 4.501 1.00 0.42 H new ATOM 493 N LYS A 49 -11.520 7.567 2.509 1.00 0.31 N ATOM 494 CA LYS A 49 -12.876 7.462 3.020 1.00 0.32 C ATOM 495 C LYS A 49 -13.590 6.233 2.474 1.00 0.27 C ATOM 496 O LYS A 49 -14.081 5.414 3.244 1.00 0.27 O ATOM 497 CB LYS A 49 -13.635 8.735 2.660 1.00 0.39 C ATOM 498 CG LYS A 49 -15.123 8.696 2.949 1.00 0.44 C ATOM 499 CD LYS A 49 -15.726 10.069 2.737 1.00 0.63 C ATOM 500 CE LYS A 49 -15.614 10.509 1.294 1.00 1.02 C ATOM 501 NZ LYS A 49 -15.987 11.939 1.128 1.00 1.50 N ATOM 0 H LYS A 49 -11.353 8.408 1.957 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.838 7.348 4.103 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.195 9.569 3.207 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.491 8.938 1.599 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.610 7.971 2.297 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.295 8.368 3.974 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.775 10.056 3.034 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.222 10.792 3.379 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -14.593 10.356 0.944 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.260 9.889 0.673 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -15.562 12.309 0.254 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.022 12.024 1.073 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -15.638 12.485 1.941 1.00 1.50 H new ATOM 515 N PHE A 50 -13.628 6.095 1.155 1.00 0.27 N ATOM 516 CA PHE A 50 -14.325 4.979 0.525 1.00 0.27 C ATOM 517 C PHE A 50 -13.681 3.649 0.895 1.00 0.23 C ATOM 518 O PHE A 50 -14.370 2.640 1.033 1.00 0.25 O ATOM 519 CB PHE A 50 -14.379 5.152 -0.995 1.00 0.35 C ATOM 520 CG PHE A 50 -15.414 6.149 -1.443 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.199 7.509 -1.299 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.605 5.720 -2.002 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.152 8.422 -1.701 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.563 6.629 -2.408 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.336 7.981 -2.256 1.00 0.66 C ATOM 0 H PHE A 50 -13.185 6.740 0.501 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.348 4.973 0.901 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.400 5.469 -1.353 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.590 4.187 -1.457 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.274 7.860 -0.867 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.788 4.662 -2.122 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -15.972 9.480 -1.582 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.488 6.282 -2.844 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.084 8.694 -2.571 1.00 0.66 H new ATOM 535 N TYR A 51 -12.365 3.643 1.074 1.00 0.23 N ATOM 536 CA TYR A 51 -11.689 2.446 1.552 1.00 0.25 C ATOM 537 C TYR A 51 -12.087 2.146 2.990 1.00 0.21 C ATOM 538 O TYR A 51 -12.244 0.987 3.359 1.00 0.23 O ATOM 539 CB TYR A 51 -10.167 2.563 1.429 1.00 0.31 C ATOM 540 CG TYR A 51 -9.648 2.187 0.060 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.025 0.988 -0.532 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.788 3.022 -0.639 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.558 0.632 -1.782 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.317 2.673 -1.890 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.706 1.476 -2.456 1.00 0.72 C ATOM 546 OH TYR A 51 -8.241 1.122 -3.702 1.00 0.88 O ATOM 0 H TYR A 51 -11.754 4.441 0.898 1.00 0.23 H new ATOM 0 HA TYR A 51 -12.005 1.617 0.919 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.869 3.587 1.655 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.699 1.922 2.176 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.694 0.323 -0.006 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.482 3.959 -0.198 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.860 -0.304 -2.228 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.648 3.333 -2.422 1.00 0.65 H new ATOM 0 HH TYR A 51 -8.996 1.041 -4.322 1.00 0.88 H new ATOM 556 N SER A 52 -12.280 3.190 3.789 1.00 0.20 N ATOM 557 CA SER A 52 -12.734 3.015 5.161 1.00 0.22 C ATOM 558 C SER A 52 -14.151 2.465 5.165 1.00 0.22 C ATOM 559 O SER A 52 -14.475 1.561 5.930 1.00 0.23 O ATOM 560 CB SER A 52 -12.689 4.336 5.923 1.00 0.25 C ATOM 561 OG SER A 52 -11.389 4.904 5.887 1.00 0.56 O ATOM 0 H SER A 52 -12.130 4.160 3.511 1.00 0.20 H new ATOM 0 HA SER A 52 -12.067 2.310 5.658 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.406 5.034 5.490 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.989 4.172 6.958 1.00 0.25 H new ATOM 0 HG SER A 52 -11.280 5.419 5.060 1.00 0.56 H new ATOM 567 N GLN A 53 -14.982 3.016 4.288 1.00 0.24 N ATOM 568 CA GLN A 53 -16.341 2.536 4.091 1.00 0.27 C ATOM 569 C GLN A 53 -16.334 1.057 3.695 1.00 0.26 C ATOM 570 O GLN A 53 -17.210 0.288 4.090 1.00 0.30 O ATOM 571 CB GLN A 53 -17.027 3.391 3.021 1.00 0.31 C ATOM 572 CG GLN A 53 -17.039 4.868 3.369 1.00 0.37 C ATOM 573 CD GLN A 53 -17.724 5.721 2.324 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.767 5.379 1.143 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.249 6.853 2.753 1.00 0.94 N ATOM 0 H GLN A 53 -14.731 3.807 3.695 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.898 2.624 5.024 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.517 3.251 2.068 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -18.052 3.045 2.888 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.541 5.005 4.327 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.013 5.213 3.495 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -18.192 7.100 3.741 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.712 7.481 2.097 1.00 0.94 H new ATOM 584 N ALA A 54 -15.318 0.656 2.941 1.00 0.23 N ATOM 585 CA ALA A 54 -15.160 -0.737 2.550 1.00 0.24 C ATOM 586 C ALA A 54 -14.772 -1.603 3.749 1.00 0.23 C ATOM 587 O ALA A 54 -15.087 -2.790 3.789 1.00 0.25 O ATOM 588 CB ALA A 54 -14.120 -0.857 1.450 1.00 0.25 C ATOM 0 H ALA A 54 -14.591 1.278 2.588 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.117 -1.096 2.171 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -14.010 -1.904 1.166 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.438 -0.277 0.584 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.164 -0.477 1.810 1.00 0.25 H new ATOM 594 N ILE A 55 -14.104 -0.988 4.724 1.00 0.22 N ATOM 595 CA ILE A 55 -13.708 -1.670 5.961 1.00 0.22 C ATOM 596 C ILE A 55 -14.916 -1.800 6.882 1.00 0.24 C ATOM 597 O ILE A 55 -14.952 -2.619 7.801 1.00 0.27 O ATOM 598 CB ILE A 55 -12.592 -0.899 6.704 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.419 -0.613 5.769 1.00 0.24 C ATOM 600 CG2 ILE A 55 -12.111 -1.683 7.919 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.441 0.385 6.338 1.00 0.28 C ATOM 0 H ILE A 55 -13.822 -0.009 4.682 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.326 -2.654 5.691 1.00 0.22 H new ATOM 0 HB ILE A 55 -13.008 0.050 7.043 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.896 -1.545 5.556 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.801 -0.238 4.820 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.326 -1.122 8.427 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.945 -1.841 8.603 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.718 -2.647 7.597 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.631 0.546 5.627 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.952 1.329 6.525 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -10.033 0.002 7.273 1.00 0.28 H new ATOM 613 N GLU A 56 -15.899 -0.965 6.631 1.00 0.27 N ATOM 614 CA GLU A 56 -17.161 -1.042 7.330 1.00 0.31 C ATOM 615 C GLU A 56 -17.968 -2.208 6.776 1.00 0.31 C ATOM 616 O GLU A 56 -18.732 -2.858 7.493 1.00 0.34 O ATOM 617 CB GLU A 56 -17.928 0.264 7.139 1.00 0.34 C ATOM 618 CG GLU A 56 -17.121 1.503 7.494 1.00 0.36 C ATOM 619 CD GLU A 56 -17.074 1.763 8.983 1.00 0.45 C ATOM 620 OE1 GLU A 56 -18.124 1.610 9.645 1.00 0.78 O ATOM 621 OE2 GLU A 56 -16.006 2.165 9.490 1.00 0.81 O ATOM 0 H GLU A 56 -15.847 -0.217 5.940 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.987 -1.198 8.395 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.251 0.337 6.101 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.829 0.239 7.752 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -16.105 1.390 7.117 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.553 2.369 6.992 1.00 0.36 H new ATOM 628 N LEU A 57 -17.785 -2.465 5.485 1.00 0.31 N ATOM 629 CA LEU A 57 -18.489 -3.538 4.802 1.00 0.33 C ATOM 630 C LEU A 57 -17.807 -4.882 5.047 1.00 0.33 C ATOM 631 O LEU A 57 -18.424 -5.787 5.598 1.00 0.40 O ATOM 632 CB LEU A 57 -18.585 -3.224 3.314 1.00 0.34 C ATOM 633 CG LEU A 57 -19.233 -1.874 3.003 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.266 -1.627 1.516 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.635 -1.799 3.580 1.00 0.40 C ATOM 0 H LEU A 57 -17.148 -1.937 4.888 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.499 -3.612 5.205 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.584 -3.242 2.884 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.157 -4.011 2.823 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.628 -1.097 3.470 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.731 -0.661 1.318 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.249 -1.627 1.124 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.842 -2.414 1.029 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -21.074 -0.829 3.345 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.249 -2.589 3.148 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.590 -1.924 4.662 1.00 0.40 H new ATOM 647 N ASN A 58 -16.542 -5.018 4.655 1.00 0.29 N ATOM 648 CA ASN A 58 -15.783 -6.204 5.032 1.00 0.30 C ATOM 649 C ASN A 58 -14.660 -5.732 5.956 1.00 0.30 C ATOM 650 O ASN A 58 -14.412 -4.542 6.023 1.00 0.34 O ATOM 651 CB ASN A 58 -15.207 -6.840 3.749 1.00 0.35 C ATOM 652 CG ASN A 58 -14.872 -8.318 3.868 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.550 -9.074 4.561 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.815 -8.740 3.194 1.00 0.57 N ATOM 0 H ASN A 58 -16.032 -4.339 4.090 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.397 -6.947 5.540 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.926 -6.708 2.940 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.305 -6.299 3.465 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.539 -9.721 3.239 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -13.275 -8.084 2.629 1.00 0.57 H new ATOM 661 N PRO A 59 -13.933 -6.615 6.647 1.00 0.31 N ATOM 662 CA PRO A 59 -12.780 -6.210 7.435 1.00 0.35 C ATOM 663 C PRO A 59 -11.414 -6.611 6.854 1.00 0.35 C ATOM 664 O PRO A 59 -10.603 -5.756 6.488 1.00 0.35 O ATOM 665 CB PRO A 59 -13.072 -6.938 8.739 1.00 0.41 C ATOM 666 CG PRO A 59 -13.757 -8.216 8.327 1.00 0.41 C ATOM 667 CD PRO A 59 -14.270 -8.009 6.915 1.00 0.34 C ATOM 0 HA PRO A 59 -12.677 -5.127 7.502 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.155 -7.142 9.291 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.710 -6.341 9.390 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.063 -9.055 8.366 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.578 -8.450 9.005 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.789 -8.684 6.207 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.343 -8.186 6.845 1.00 0.34 H new ATOM 675 N SER A 60 -11.175 -7.917 6.778 1.00 0.44 N ATOM 676 CA SER A 60 -9.857 -8.475 6.499 1.00 0.49 C ATOM 677 C SER A 60 -9.464 -8.374 5.024 1.00 0.49 C ATOM 678 O SER A 60 -9.350 -9.386 4.331 1.00 0.68 O ATOM 679 CB SER A 60 -9.853 -9.939 6.936 1.00 0.63 C ATOM 680 OG SER A 60 -10.724 -10.128 8.041 1.00 1.52 O ATOM 0 H SER A 60 -11.898 -8.624 6.910 1.00 0.44 H new ATOM 0 HA SER A 60 -9.121 -7.893 7.055 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.165 -10.574 6.106 1.00 0.63 H new ATOM 0 HB3 SER A 60 -8.841 -10.242 7.206 1.00 0.63 H new ATOM 0 HG SER A 60 -10.713 -11.071 8.309 1.00 1.52 H new ATOM 686 N ASN A 61 -9.286 -7.155 4.538 1.00 0.43 N ATOM 687 CA ASN A 61 -8.778 -6.944 3.192 1.00 0.45 C ATOM 688 C ASN A 61 -7.565 -6.025 3.202 1.00 0.38 C ATOM 689 O ASN A 61 -7.680 -4.812 3.438 1.00 0.34 O ATOM 690 CB ASN A 61 -9.865 -6.386 2.275 1.00 0.48 C ATOM 691 CG ASN A 61 -10.856 -7.444 1.821 1.00 0.79 C ATOM 692 OD1 ASN A 61 -12.060 -7.207 1.790 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.355 -8.604 1.423 1.00 1.07 N ATOM 0 H ASN A 61 -9.485 -6.299 5.055 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.468 -7.913 2.802 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.401 -5.593 2.796 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.398 -5.933 1.400 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.976 -9.336 1.076 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -9.349 -8.766 1.463 1.00 1.07 H new ATOM 700 N ALA A 62 -6.400 -6.604 2.935 1.00 0.42 N ATOM 701 CA ALA A 62 -5.167 -5.839 2.847 1.00 0.42 C ATOM 702 C ALA A 62 -5.239 -4.847 1.701 1.00 0.37 C ATOM 703 O ALA A 62 -4.506 -3.869 1.663 1.00 0.38 O ATOM 704 CB ALA A 62 -3.988 -6.764 2.648 1.00 0.52 C ATOM 0 H ALA A 62 -6.286 -7.605 2.776 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.036 -5.292 3.781 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.072 -6.177 2.584 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.920 -7.453 3.490 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.121 -7.330 1.726 1.00 0.52 H new ATOM 710 N ILE A 63 -6.125 -5.125 0.762 1.00 0.36 N ATOM 711 CA ILE A 63 -6.379 -4.232 -0.353 1.00 0.35 C ATOM 712 C ILE A 63 -6.863 -2.869 0.138 1.00 0.31 C ATOM 713 O ILE A 63 -6.364 -1.825 -0.283 1.00 0.34 O ATOM 714 CB ILE A 63 -7.431 -4.847 -1.293 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.881 -6.131 -1.915 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.839 -3.854 -2.367 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.725 -5.890 -2.851 1.00 0.74 C ATOM 0 H ILE A 63 -6.688 -5.975 0.751 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.444 -4.093 -0.896 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.321 -5.093 -0.714 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.562 -6.804 -1.120 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.680 -6.635 -2.458 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.583 -4.310 -3.020 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -8.262 -2.965 -1.899 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.965 -3.573 -2.954 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.382 -6.841 -3.258 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -6.046 -5.241 -3.666 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.910 -5.413 -2.307 1.00 0.74 H new ATOM 729 N TYR A 64 -7.815 -2.894 1.059 1.00 0.29 N ATOM 730 CA TYR A 64 -8.427 -1.670 1.553 1.00 0.28 C ATOM 731 C TYR A 64 -7.438 -0.886 2.399 1.00 0.30 C ATOM 732 O TYR A 64 -7.206 0.295 2.158 1.00 0.34 O ATOM 733 CB TYR A 64 -9.679 -1.984 2.372 1.00 0.26 C ATOM 734 CG TYR A 64 -10.725 -2.777 1.618 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.734 -2.815 0.228 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.689 -3.504 2.300 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.676 -3.554 -0.457 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.631 -4.247 1.621 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.621 -4.271 0.243 1.00 0.35 C ATOM 740 OH TYR A 64 -13.553 -5.019 -0.439 1.00 0.42 O ATOM 0 H TYR A 64 -8.180 -3.749 1.479 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.715 -1.064 0.694 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.388 -2.541 3.263 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.123 -1.048 2.712 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.992 -2.257 -0.324 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.702 -3.488 3.380 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.673 -3.570 -1.537 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.375 -4.809 2.167 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.987 -5.644 0.179 1.00 0.42 H new ATOM 750 N TYR A 65 -6.839 -1.556 3.376 1.00 0.30 N ATOM 751 CA TYR A 65 -5.857 -0.909 4.244 1.00 0.32 C ATOM 752 C TYR A 65 -4.598 -0.530 3.467 1.00 0.33 C ATOM 753 O TYR A 65 -3.982 0.500 3.732 1.00 0.37 O ATOM 754 CB TYR A 65 -5.492 -1.820 5.414 1.00 0.34 C ATOM 755 CG TYR A 65 -6.449 -1.730 6.581 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.570 -2.544 6.660 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.221 -0.826 7.609 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.438 -2.459 7.732 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.084 -0.734 8.683 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.189 -1.551 8.741 1.00 0.47 C ATOM 761 OH TYR A 65 -9.046 -1.461 9.814 1.00 0.55 O ATOM 0 H TYR A 65 -7.012 -2.539 3.588 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.309 0.004 4.632 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.459 -2.851 5.062 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.489 -1.568 5.759 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.767 -3.255 5.871 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.354 -0.184 7.568 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.306 -3.100 7.780 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.892 -0.024 9.474 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.724 -0.773 10.433 1.00 0.55 H new ATOM 771 N GLY A 66 -4.239 -1.360 2.497 1.00 0.35 N ATOM 772 CA GLY A 66 -3.035 -1.142 1.718 1.00 0.41 C ATOM 773 C GLY A 66 -3.094 0.114 0.879 1.00 0.43 C ATOM 774 O GLY A 66 -2.137 0.882 0.838 1.00 0.51 O ATOM 0 H GLY A 66 -4.768 -2.191 2.233 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.179 -1.083 2.391 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.870 -2.000 1.067 1.00 0.41 H new ATOM 778 N ASN A 67 -4.209 0.341 0.206 1.00 0.44 N ATOM 779 CA ASN A 67 -4.341 1.539 -0.611 1.00 0.57 C ATOM 780 C ASN A 67 -4.796 2.719 0.227 1.00 0.41 C ATOM 781 O ASN A 67 -4.650 3.867 -0.182 1.00 0.38 O ATOM 782 CB ASN A 67 -5.288 1.329 -1.785 1.00 0.84 C ATOM 783 CG ASN A 67 -4.727 0.384 -2.825 1.00 1.28 C ATOM 784 OD1 ASN A 67 -3.510 0.213 -2.944 1.00 2.28 O ATOM 785 ND2 ASN A 67 -5.607 -0.211 -3.608 1.00 1.35 N ATOM 0 H ASN A 67 -5.023 -0.274 0.206 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.353 1.756 -1.018 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -6.236 0.936 -1.416 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -5.501 2.291 -2.251 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -5.290 -0.840 -4.346 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -6.604 -0.042 -3.475 1.00 1.35 H new ATOM 792 N ARG A 68 -5.345 2.441 1.401 1.00 0.39 N ATOM 793 CA ARG A 68 -5.674 3.500 2.339 1.00 0.39 C ATOM 794 C ARG A 68 -4.385 4.105 2.870 1.00 0.31 C ATOM 795 O ARG A 68 -4.220 5.324 2.893 1.00 0.32 O ATOM 796 CB ARG A 68 -6.516 2.967 3.493 1.00 0.53 C ATOM 797 CG ARG A 68 -7.155 4.054 4.339 1.00 0.80 C ATOM 798 CD ARG A 68 -7.720 3.475 5.618 1.00 0.48 C ATOM 799 NE ARG A 68 -8.500 4.446 6.383 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.382 4.619 7.697 1.00 1.16 C ATOM 801 NH1 ARG A 68 -7.464 3.955 8.388 1.00 1.42 N ATOM 802 NH2 ARG A 68 -9.171 5.481 8.324 1.00 1.87 N ATOM 0 H ARG A 68 -5.570 1.500 1.723 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.259 4.262 1.824 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.300 2.324 3.092 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -5.889 2.345 4.131 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.416 4.819 4.576 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.949 4.542 3.773 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.350 2.619 5.377 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -6.902 3.105 6.236 1.00 0.48 H new ATOM 0 HE ARG A 68 -9.174 5.024 5.881 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -6.840 3.304 7.912 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -7.383 4.096 9.395 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -9.867 6.010 7.799 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -9.082 5.615 9.331 1.00 1.87 H new ATOM 816 N SER A 69 -3.460 3.242 3.279 1.00 0.31 N ATOM 817 CA SER A 69 -2.143 3.682 3.706 1.00 0.32 C ATOM 818 C SER A 69 -1.386 4.295 2.538 1.00 0.27 C ATOM 819 O SER A 69 -0.615 5.224 2.718 1.00 0.27 O ATOM 820 CB SER A 69 -1.358 2.517 4.307 1.00 0.43 C ATOM 821 OG SER A 69 -1.438 1.364 3.491 1.00 1.16 O ATOM 0 H SER A 69 -3.602 2.233 3.322 1.00 0.31 H new ATOM 0 HA SER A 69 -2.264 4.444 4.476 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.314 2.805 4.431 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.745 2.289 5.300 1.00 0.43 H new ATOM 0 HG SER A 69 -2.251 0.863 3.712 1.00 1.16 H new ATOM 827 N LEU A 70 -1.620 3.763 1.346 1.00 0.28 N ATOM 828 CA LEU A 70 -1.070 4.319 0.115 1.00 0.31 C ATOM 829 C LEU A 70 -1.611 5.734 -0.119 1.00 0.31 C ATOM 830 O LEU A 70 -0.895 6.611 -0.599 1.00 0.38 O ATOM 831 CB LEU A 70 -1.407 3.370 -1.049 1.00 0.36 C ATOM 832 CG LEU A 70 -0.905 3.746 -2.453 1.00 0.46 C ATOM 833 CD1 LEU A 70 -1.947 4.569 -3.193 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.430 4.481 -2.393 1.00 1.16 C ATOM 0 H LEU A 70 -2.196 2.934 1.204 1.00 0.28 H new ATOM 0 HA LEU A 70 0.014 4.404 0.189 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.008 2.386 -0.804 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.491 3.272 -1.097 1.00 0.36 H new ATOM 0 HG LEU A 70 -0.743 2.821 -3.006 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.572 4.825 -4.184 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -2.866 3.990 -3.291 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.152 5.483 -2.636 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.754 4.731 -3.403 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.316 5.396 -1.812 1.00 1.16 H new ATOM 0 HD23 LEU A 70 1.176 3.842 -1.921 1.00 1.16 H new ATOM 846 N ALA A 71 -2.862 5.956 0.247 1.00 0.26 N ATOM 847 CA ALA A 71 -3.462 7.272 0.147 1.00 0.30 C ATOM 848 C ALA A 71 -2.844 8.205 1.178 1.00 0.29 C ATOM 849 O ALA A 71 -2.486 9.339 0.862 1.00 0.36 O ATOM 850 CB ALA A 71 -4.963 7.177 0.331 1.00 0.32 C ATOM 0 H ALA A 71 -3.483 5.237 0.618 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.267 7.680 -0.845 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.403 8.171 0.254 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.384 6.533 -0.441 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.183 6.758 1.313 1.00 0.32 H new ATOM 856 N TYR A 72 -2.708 7.713 2.411 1.00 0.25 N ATOM 857 CA TYR A 72 -1.986 8.441 3.453 1.00 0.25 C ATOM 858 C TYR A 72 -0.540 8.695 3.021 1.00 0.26 C ATOM 859 O TYR A 72 0.054 9.714 3.355 1.00 0.30 O ATOM 860 CB TYR A 72 -2.001 7.663 4.775 1.00 0.25 C ATOM 861 CG TYR A 72 -3.341 7.646 5.488 1.00 0.29 C ATOM 862 CD1 TYR A 72 -3.887 8.810 6.016 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.054 6.466 5.641 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.102 8.797 6.672 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.268 6.445 6.296 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.788 7.611 6.808 1.00 0.43 C ATOM 867 OH TYR A 72 -6.998 7.593 7.460 1.00 0.52 O ATOM 0 H TYR A 72 -3.088 6.815 2.711 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.488 9.396 3.605 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.697 6.635 4.579 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.255 8.094 5.443 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.351 9.742 5.911 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.652 5.547 5.240 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.512 9.711 7.076 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.808 5.516 6.406 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.446 8.457 7.342 1.00 0.52 H new ATOM 877 N LEU A 73 0.011 7.755 2.270 1.00 0.26 N ATOM 878 CA LEU A 73 1.364 7.862 1.738 1.00 0.30 C ATOM 879 C LEU A 73 1.472 9.000 0.727 1.00 0.37 C ATOM 880 O LEU A 73 2.528 9.618 0.586 1.00 0.50 O ATOM 881 CB LEU A 73 1.773 6.529 1.101 1.00 0.31 C ATOM 882 CG LEU A 73 2.384 5.514 2.070 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.404 4.120 1.460 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.793 5.932 2.448 1.00 0.43 C ATOM 0 H LEU A 73 -0.468 6.893 2.010 1.00 0.26 H new ATOM 0 HA LEU A 73 2.044 8.089 2.559 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.896 6.081 0.634 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.491 6.728 0.305 1.00 0.31 H new ATOM 0 HG LEU A 73 1.764 5.488 2.966 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.843 3.419 2.170 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.385 3.810 1.227 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.998 4.131 0.546 1.00 0.33 H new ATOM 0 HD21 LEU A 73 4.216 5.202 3.138 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.410 5.984 1.551 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.766 6.911 2.927 1.00 0.43 H new ATOM 896 N ARG A 74 0.374 9.284 0.039 1.00 0.38 N ATOM 897 CA ARG A 74 0.332 10.390 -0.908 1.00 0.48 C ATOM 898 C ARG A 74 0.180 11.711 -0.164 1.00 0.53 C ATOM 899 O ARG A 74 0.691 12.744 -0.594 1.00 0.67 O ATOM 900 CB ARG A 74 -0.835 10.236 -1.885 1.00 0.51 C ATOM 901 CG ARG A 74 -0.878 8.904 -2.619 1.00 0.48 C ATOM 902 CD ARG A 74 0.408 8.621 -3.380 1.00 1.19 C ATOM 903 NE ARG A 74 0.731 9.664 -4.352 1.00 1.95 N ATOM 904 CZ ARG A 74 1.614 9.506 -5.337 1.00 2.78 C ATOM 905 NH1 ARG A 74 2.260 8.354 -5.475 1.00 3.07 N ATOM 906 NH2 ARG A 74 1.859 10.503 -6.179 1.00 3.53 N ATOM 0 H ARG A 74 -0.500 8.764 0.119 1.00 0.38 H new ATOM 0 HA ARG A 74 1.267 10.382 -1.468 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -1.769 10.364 -1.337 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -0.784 11.039 -2.620 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.057 8.103 -1.902 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -1.717 8.902 -3.315 1.00 0.48 H new ATOM 0 HD2 ARG A 74 1.230 8.524 -2.671 1.00 1.19 H new ATOM 0 HD3 ARG A 74 0.317 7.665 -3.896 1.00 1.19 H new ATOM 0 HE ARG A 74 0.254 10.562 -4.272 1.00 1.95 H new ATOM 0 HH11 ARG A 74 2.081 7.588 -4.826 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.936 8.235 -6.230 1.00 3.07 H new ATOM 0 HH21 ARG A 74 1.371 11.392 -6.072 1.00 3.53 H new ATOM 0 HH22 ARG A 74 2.535 10.380 -6.932 1.00 3.53 H new ATOM 920 N THR A 75 -0.529 11.659 0.956 1.00 0.48 N ATOM 921 CA THR A 75 -0.823 12.843 1.745 1.00 0.57 C ATOM 922 C THR A 75 0.165 13.000 2.902 1.00 0.70 C ATOM 923 O THR A 75 -0.115 13.708 3.869 1.00 1.53 O ATOM 924 CB THR A 75 -2.256 12.768 2.307 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.411 11.576 3.084 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.283 12.769 1.186 1.00 0.49 C ATOM 0 H THR A 75 -0.915 10.796 1.340 1.00 0.48 H new ATOM 0 HA THR A 75 -0.730 13.708 1.088 1.00 0.57 H new ATOM 0 HB THR A 75 -2.420 13.645 2.933 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.729 11.809 3.981 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.285 12.715 1.611 1.00 0.49 H new ATOM 0 HG22 THR A 75 -3.184 13.685 0.603 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.117 11.908 0.539 1.00 0.49 H new ATOM 934 N GLU A 76 1.316 12.330 2.781 1.00 0.57 N ATOM 935 CA GLU A 76 2.394 12.349 3.784 1.00 0.59 C ATOM 936 C GLU A 76 1.885 12.100 5.214 1.00 0.42 C ATOM 937 O GLU A 76 2.470 12.559 6.194 1.00 0.45 O ATOM 938 CB GLU A 76 3.226 13.641 3.696 1.00 0.86 C ATOM 939 CG GLU A 76 2.488 14.927 4.035 1.00 1.85 C ATOM 940 CD GLU A 76 3.407 16.128 4.026 1.00 2.38 C ATOM 941 OE1 GLU A 76 4.183 16.290 4.992 1.00 2.71 O ATOM 942 OE2 GLU A 76 3.369 16.904 3.048 1.00 2.77 O ATOM 0 H GLU A 76 1.531 11.749 1.971 1.00 0.57 H new ATOM 0 HA GLU A 76 3.051 11.513 3.543 1.00 0.59 H new ATOM 0 HB2 GLU A 76 4.080 13.547 4.366 1.00 0.86 H new ATOM 0 HB3 GLU A 76 3.622 13.727 2.684 1.00 0.86 H new ATOM 0 HG2 GLU A 76 1.682 15.082 3.318 1.00 1.85 H new ATOM 0 HG3 GLU A 76 2.026 14.831 5.018 1.00 1.85 H new ATOM 949 N CYS A 77 0.832 11.307 5.310 1.00 0.32 N ATOM 950 CA CYS A 77 0.240 10.897 6.578 1.00 0.32 C ATOM 951 C CYS A 77 0.887 9.615 7.082 1.00 0.32 C ATOM 952 O CYS A 77 0.214 8.742 7.628 1.00 0.35 O ATOM 953 CB CYS A 77 -1.252 10.674 6.406 1.00 0.33 C ATOM 954 SG CYS A 77 -2.191 12.162 5.986 1.00 0.37 S ATOM 0 H CYS A 77 0.354 10.921 4.496 1.00 0.32 H new ATOM 0 HA CYS A 77 0.410 11.689 7.307 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.407 9.930 5.625 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.653 10.256 7.329 1.00 0.33 H new ATOM 0 HG CYS A 77 -1.514 12.877 5.138 1.00 0.37 H new ATOM 960 N TYR A 78 2.184 9.507 6.849 1.00 0.34 N ATOM 961 CA TYR A 78 2.951 8.283 7.077 1.00 0.38 C ATOM 962 C TYR A 78 2.705 7.621 8.437 1.00 0.41 C ATOM 963 O TYR A 78 2.915 6.418 8.573 1.00 0.43 O ATOM 964 CB TYR A 78 4.428 8.580 6.908 1.00 0.44 C ATOM 965 CG TYR A 78 4.738 9.270 5.605 1.00 0.42 C ATOM 966 CD1 TYR A 78 4.211 8.792 4.416 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.543 10.398 5.561 1.00 0.54 C ATOM 968 CE1 TYR A 78 4.480 9.415 3.214 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.818 11.030 4.363 1.00 0.66 C ATOM 970 CZ TYR A 78 5.283 10.533 3.192 1.00 0.66 C ATOM 971 OH TYR A 78 5.555 11.153 1.994 1.00 0.84 O ATOM 0 H TYR A 78 2.748 10.277 6.490 1.00 0.34 H new ATOM 0 HA TYR A 78 2.605 7.564 6.335 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.765 9.205 7.735 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.990 7.648 6.963 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.579 7.917 4.430 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.962 10.789 6.477 1.00 0.54 H new ATOM 0 HE1 TYR A 78 4.063 9.028 2.296 1.00 0.66 H new ATOM 0 HE2 TYR A 78 6.448 11.907 4.343 1.00 0.66 H new ATOM 0 HH TYR A 78 6.135 11.927 2.151 1.00 0.84 H new ATOM 981 N GLY A 79 2.274 8.384 9.435 1.00 0.43 N ATOM 982 CA GLY A 79 1.916 7.784 10.709 1.00 0.49 C ATOM 983 C GLY A 79 0.791 6.777 10.542 1.00 0.42 C ATOM 984 O GLY A 79 0.917 5.612 10.934 1.00 0.42 O ATOM 0 H GLY A 79 2.166 9.397 9.388 1.00 0.43 H new ATOM 0 HA2 GLY A 79 2.788 7.292 11.141 1.00 0.49 H new ATOM 0 HA3 GLY A 79 1.611 8.562 11.408 1.00 0.49 H new ATOM 988 N TYR A 80 -0.302 7.232 9.935 1.00 0.38 N ATOM 989 CA TYR A 80 -1.416 6.356 9.588 1.00 0.36 C ATOM 990 C TYR A 80 -0.978 5.334 8.552 1.00 0.30 C ATOM 991 O TYR A 80 -1.350 4.167 8.622 1.00 0.32 O ATOM 992 CB TYR A 80 -2.592 7.159 9.024 1.00 0.40 C ATOM 993 CG TYR A 80 -3.297 8.037 10.030 1.00 0.56 C ATOM 994 CD1 TYR A 80 -4.226 7.501 10.911 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.052 9.403 10.084 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.890 8.301 11.819 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.710 10.209 10.993 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.629 9.652 11.858 1.00 1.29 C ATOM 999 OH TYR A 80 -5.296 10.450 12.759 1.00 1.70 O ATOM 0 H TYR A 80 -0.440 8.208 9.672 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.734 5.849 10.499 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.229 7.784 8.208 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.316 6.465 8.597 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -4.433 6.441 10.886 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -2.336 9.842 9.405 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -5.612 7.869 12.496 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.506 11.269 11.026 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.996 11.378 12.659 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.176 5.790 7.596 1.00 0.28 N ATOM 1010 CA ALA A 81 0.301 4.937 6.516 1.00 0.28 C ATOM 1011 C ALA A 81 1.002 3.702 7.062 1.00 0.29 C ATOM 1012 O ALA A 81 0.676 2.579 6.684 1.00 0.33 O ATOM 1013 CB ALA A 81 1.227 5.710 5.593 1.00 0.31 C ATOM 0 H ALA A 81 0.159 6.752 7.548 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.565 4.607 5.942 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.573 5.055 4.793 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.690 6.556 5.164 1.00 0.31 H new ATOM 0 HB3 ALA A 81 2.084 6.074 6.159 1.00 0.31 H new ATOM 1019 N LEU A 82 1.944 3.912 7.972 1.00 0.30 N ATOM 1020 CA LEU A 82 2.697 2.814 8.554 1.00 0.34 C ATOM 1021 C LEU A 82 1.756 1.867 9.303 1.00 0.32 C ATOM 1022 O LEU A 82 1.898 0.643 9.217 1.00 0.37 O ATOM 1023 CB LEU A 82 3.805 3.368 9.471 1.00 0.42 C ATOM 1024 CG LEU A 82 4.876 2.368 9.939 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.365 1.532 11.095 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.311 1.464 8.795 1.00 0.52 C ATOM 0 H LEU A 82 2.203 4.834 8.322 1.00 0.30 H new ATOM 0 HA LEU A 82 3.177 2.239 7.762 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.305 4.182 8.947 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.333 3.799 10.354 1.00 0.42 H new ATOM 0 HG LEU A 82 5.739 2.941 10.278 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.140 0.832 11.409 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.106 2.184 11.929 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.481 0.977 10.780 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.069 0.766 9.151 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.451 0.907 8.424 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.726 2.070 7.990 1.00 0.52 H new ATOM 1038 N ASN A 83 0.786 2.436 10.013 1.00 0.32 N ATOM 1039 CA ASN A 83 -0.209 1.639 10.728 1.00 0.39 C ATOM 1040 C ASN A 83 -1.024 0.777 9.767 1.00 0.38 C ATOM 1041 O ASN A 83 -1.045 -0.448 9.882 1.00 0.42 O ATOM 1042 CB ASN A 83 -1.148 2.547 11.530 1.00 0.47 C ATOM 1043 CG ASN A 83 -2.386 1.816 12.035 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -2.353 1.154 13.071 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -3.495 1.941 11.313 1.00 2.09 N ATOM 0 H ASN A 83 0.667 3.444 10.109 1.00 0.32 H new ATOM 0 HA ASN A 83 0.326 0.981 11.412 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.606 2.964 12.379 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.456 3.386 10.906 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -4.354 1.480 11.613 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -3.487 2.498 10.458 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.677 1.426 8.813 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.594 0.747 7.903 1.00 0.45 C ATOM 1054 C ASP A 84 -1.869 -0.240 6.997 1.00 0.42 C ATOM 1055 O ASP A 84 -2.399 -1.308 6.681 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.362 1.769 7.067 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.454 2.462 7.855 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -4.141 3.127 8.869 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.631 2.349 7.458 1.00 1.19 O ATOM 0 H ASP A 84 -1.589 2.429 8.647 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.298 0.178 8.510 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.667 2.515 6.683 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.803 1.270 6.204 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.659 0.108 6.586 1.00 0.41 N ATOM 1065 CA ALA A 85 0.146 -0.776 5.753 1.00 0.43 C ATOM 1066 C ALA A 85 0.491 -2.052 6.511 1.00 0.42 C ATOM 1067 O ALA A 85 0.309 -3.161 6.004 1.00 0.42 O ATOM 1068 CB ALA A 85 1.408 -0.068 5.300 1.00 0.48 C ATOM 0 H ALA A 85 -0.212 0.996 6.815 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.434 -1.047 4.871 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.999 -0.741 4.679 1.00 0.48 H new ATOM 0 HB2 ALA A 85 1.141 0.818 4.724 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.992 0.228 6.172 1.00 0.48 H new ATOM 1074 N THR A 86 0.975 -1.886 7.736 1.00 0.42 N ATOM 1075 CA THR A 86 1.267 -3.019 8.601 1.00 0.44 C ATOM 1076 C THR A 86 -0.006 -3.819 8.859 1.00 0.43 C ATOM 1077 O THR A 86 0.006 -5.052 8.876 1.00 0.44 O ATOM 1078 CB THR A 86 1.862 -2.547 9.946 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.034 -1.750 9.712 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.214 -3.732 10.834 1.00 0.55 C ATOM 0 H THR A 86 1.173 -0.976 8.152 1.00 0.42 H new ATOM 0 HA THR A 86 2.000 -3.650 8.099 1.00 0.44 H new ATOM 0 HB THR A 86 1.110 -1.946 10.457 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.775 -0.811 9.607 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.631 -3.371 11.774 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.315 -4.315 11.036 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.948 -4.360 10.329 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.108 -3.098 9.022 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.400 -3.704 9.295 1.00 0.43 C ATOM 1090 C ARG A 87 -2.816 -4.625 8.159 1.00 0.39 C ATOM 1091 O ARG A 87 -3.358 -5.703 8.388 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.456 -2.624 9.482 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.662 -3.111 10.248 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.271 -3.473 11.664 1.00 0.71 C ATOM 1095 NE ARG A 87 -3.857 -2.293 12.426 1.00 1.63 N ATOM 1096 CZ ARG A 87 -3.847 -2.225 13.756 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -4.246 -3.264 14.482 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -3.445 -1.116 14.364 1.00 3.28 N ATOM 0 H ARG A 87 -1.129 -2.080 8.968 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.312 -4.291 10.209 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.014 -1.778 10.008 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.774 -2.261 8.505 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.430 -2.337 10.262 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.093 -3.979 9.749 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.113 -3.953 12.163 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.457 -4.198 11.644 1.00 0.71 H new ATOM 0 HE ARG A 87 -3.557 -1.470 11.904 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.561 -4.117 14.021 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -4.237 -3.208 15.500 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -3.143 -0.313 13.813 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -3.438 -1.067 15.383 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.564 -4.184 6.935 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.856 -4.990 5.759 1.00 0.38 C ATOM 1114 C ALA A 88 -2.105 -6.309 5.805 1.00 0.39 C ATOM 1115 O ALA A 88 -2.672 -7.358 5.521 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.499 -4.247 4.488 1.00 0.42 C ATOM 0 H ALA A 88 -2.157 -3.271 6.731 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.927 -5.192 5.760 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.727 -4.872 3.625 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -3.077 -3.325 4.431 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.435 -4.009 4.492 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.832 -6.251 6.173 1.00 0.42 N ATOM 1123 CA ILE A 89 -0.012 -7.454 6.261 1.00 0.47 C ATOM 1124 C ILE A 89 -0.551 -8.401 7.340 1.00 0.47 C ATOM 1125 O ILE A 89 -0.334 -9.611 7.287 1.00 0.59 O ATOM 1126 CB ILE A 89 1.469 -7.111 6.541 1.00 0.60 C ATOM 1127 CG1 ILE A 89 1.975 -6.104 5.506 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.327 -8.369 6.508 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.415 -5.691 5.711 1.00 1.15 C ATOM 0 H ILE A 89 -0.345 -5.388 6.415 1.00 0.42 H new ATOM 0 HA ILE A 89 -0.064 -7.957 5.295 1.00 0.47 H new ATOM 0 HB ILE A 89 1.541 -6.670 7.535 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.868 -6.535 4.511 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.344 -5.216 5.538 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.366 -8.106 6.707 1.00 0.66 H new ATOM 0 HG22 ILE A 89 1.977 -9.068 7.268 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.253 -8.834 5.525 1.00 0.66 H new ATOM 0 HD11 ILE A 89 3.702 -4.976 4.940 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.525 -5.229 6.692 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.058 -6.569 5.649 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.273 -7.849 8.309 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.917 -8.664 9.330 1.00 0.43 C ATOM 1143 C GLU A 90 -3.186 -9.313 8.773 1.00 0.40 C ATOM 1144 O GLU A 90 -3.594 -10.390 9.212 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.261 -7.811 10.553 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.048 -7.196 11.234 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.107 -8.235 11.810 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.430 -8.810 12.871 1.00 0.82 O ATOM 1149 OE2 GLU A 90 0.963 -8.475 11.215 1.00 0.73 O ATOM 0 H GLU A 90 -1.426 -6.845 8.408 1.00 0.42 H new ATOM 0 HA GLU A 90 -1.224 -9.449 9.631 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.939 -7.013 10.249 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.798 -8.427 11.275 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.507 -6.581 10.515 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.382 -6.533 12.032 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.802 -8.652 7.799 1.00 0.38 N ATOM 1157 CA LEU A 91 -5.041 -9.133 7.193 1.00 0.39 C ATOM 1158 C LEU A 91 -4.745 -10.143 6.093 1.00 0.43 C ATOM 1159 O LEU A 91 -5.353 -11.213 6.029 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.835 -7.963 6.618 1.00 0.36 C ATOM 1161 CG LEU A 91 -6.245 -6.897 7.631 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.959 -5.757 6.933 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -7.130 -7.492 8.713 1.00 0.45 C ATOM 0 H LEU A 91 -3.461 -7.774 7.409 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.632 -9.622 7.967 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -5.240 -7.490 5.837 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.734 -8.354 6.141 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.343 -6.509 8.104 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.246 -5.004 7.667 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.294 -5.309 6.194 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.851 -6.137 6.435 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.409 -6.714 9.423 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -8.029 -7.909 8.259 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.587 -8.281 9.234 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.801 -9.801 5.235 1.00 0.46 N ATOM 1176 CA ASP A 92 -3.367 -10.683 4.177 1.00 0.53 C ATOM 1177 C ASP A 92 -1.880 -10.851 4.301 1.00 0.56 C ATOM 1178 O ASP A 92 -1.099 -10.048 3.791 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.765 -10.189 2.780 1.00 0.66 C ATOM 1180 CG ASP A 92 -5.256 -10.310 2.527 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -5.751 -11.455 2.423 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -5.944 -9.268 2.438 1.00 2.34 O ATOM 0 H ASP A 92 -3.316 -8.904 5.255 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.870 -11.643 4.289 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.463 -9.148 2.666 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -3.224 -10.762 2.027 1.00 0.66 H new ATOM 1187 N LYS A 93 -1.514 -11.887 5.033 1.00 0.48 N ATOM 1188 CA LYS A 93 -0.148 -12.108 5.452 1.00 0.50 C ATOM 1189 C LYS A 93 0.794 -12.136 4.263 1.00 0.55 C ATOM 1190 O LYS A 93 1.940 -11.698 4.368 1.00 0.64 O ATOM 1191 CB LYS A 93 -0.065 -13.405 6.240 1.00 0.55 C ATOM 1192 CG LYS A 93 1.137 -13.484 7.159 1.00 0.73 C ATOM 1193 CD LYS A 93 1.113 -12.341 8.156 1.00 1.22 C ATOM 1194 CE LYS A 93 2.026 -12.593 9.339 1.00 1.76 C ATOM 1195 NZ LYS A 93 1.814 -11.583 10.407 1.00 2.61 N ATOM 0 H LYS A 93 -2.165 -12.604 5.355 1.00 0.48 H new ATOM 0 HA LYS A 93 0.162 -11.281 6.091 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.973 -13.518 6.833 1.00 0.55 H new ATOM 0 HB3 LYS A 93 -0.034 -14.242 5.543 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.137 -14.437 7.688 1.00 0.73 H new ATOM 0 HG3 LYS A 93 2.055 -13.445 6.573 1.00 0.73 H new ATOM 0 HD2 LYS A 93 1.414 -11.420 7.657 1.00 1.22 H new ATOM 0 HD3 LYS A 93 0.093 -12.193 8.511 1.00 1.22 H new ATOM 0 HE2 LYS A 93 1.842 -13.591 9.737 1.00 1.76 H new ATOM 0 HE3 LYS A 93 3.065 -12.567 9.011 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 2.453 -11.781 11.204 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 2.013 -10.634 10.032 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 0.828 -11.626 10.735 1.00 2.61 H new ATOM 1209 N LYS A 94 0.324 -12.648 3.135 1.00 0.55 N ATOM 1210 CA LYS A 94 1.077 -12.486 1.913 1.00 0.61 C ATOM 1211 C LYS A 94 0.300 -11.628 0.930 1.00 0.60 C ATOM 1212 O LYS A 94 -0.629 -12.084 0.260 1.00 0.69 O ATOM 1213 CB LYS A 94 1.431 -13.840 1.289 1.00 0.76 C ATOM 1214 CG LYS A 94 2.441 -14.634 2.105 1.00 0.96 C ATOM 1215 CD LYS A 94 2.956 -15.855 1.356 1.00 1.17 C ATOM 1216 CE LYS A 94 3.641 -15.465 0.053 1.00 1.41 C ATOM 1217 NZ LYS A 94 4.478 -16.566 -0.489 1.00 2.11 N ATOM 0 H LYS A 94 -0.551 -13.164 3.045 1.00 0.55 H new ATOM 0 HA LYS A 94 2.013 -11.983 2.156 1.00 0.61 H new ATOM 0 HB2 LYS A 94 0.521 -14.430 1.177 1.00 0.76 H new ATOM 0 HB3 LYS A 94 1.831 -13.677 0.288 1.00 0.76 H new ATOM 0 HG2 LYS A 94 3.281 -13.990 2.366 1.00 0.96 H new ATOM 0 HG3 LYS A 94 1.980 -14.952 3.040 1.00 0.96 H new ATOM 0 HD2 LYS A 94 3.657 -16.401 1.987 1.00 1.17 H new ATOM 0 HD3 LYS A 94 2.126 -16.529 1.144 1.00 1.17 H new ATOM 0 HE2 LYS A 94 2.887 -15.187 -0.683 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.263 -14.586 0.220 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 4.925 -16.258 -1.376 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.214 -16.815 0.202 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 3.881 -17.397 -0.673 1.00 2.11 H new ATOM 1231 N TYR A 95 0.690 -10.370 0.884 1.00 0.53 N ATOM 1232 CA TYR A 95 0.254 -9.433 -0.131 1.00 0.58 C ATOM 1233 C TYR A 95 1.460 -8.593 -0.527 1.00 0.55 C ATOM 1234 O TYR A 95 1.901 -7.737 0.239 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.905 -8.563 0.388 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.413 -7.526 -0.598 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.457 -7.783 -1.964 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.838 -6.279 -0.155 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.907 -6.828 -2.856 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.285 -5.319 -1.042 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.316 -5.598 -2.390 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.744 -4.633 -3.274 1.00 1.46 O ATOM 0 H TYR A 95 1.331 -9.963 1.565 1.00 0.53 H new ATOM 0 HA TYR A 95 -0.128 -9.961 -1.005 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.733 -9.214 0.668 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.580 -8.053 1.295 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -1.134 -8.745 -2.334 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.818 -6.057 0.902 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.938 -7.045 -3.913 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.609 -4.354 -0.680 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.997 -3.826 -2.780 1.00 1.46 H new ATOM 1252 N ILE A 96 2.013 -8.867 -1.698 1.00 0.56 N ATOM 1253 CA ILE A 96 3.276 -8.263 -2.120 1.00 0.55 C ATOM 1254 C ILE A 96 3.204 -6.740 -2.140 1.00 0.49 C ATOM 1255 O ILE A 96 4.081 -6.061 -1.602 1.00 0.45 O ATOM 1256 CB ILE A 96 3.702 -8.786 -3.505 1.00 0.64 C ATOM 1257 CG1 ILE A 96 3.943 -10.293 -3.435 1.00 0.87 C ATOM 1258 CG2 ILE A 96 4.948 -8.069 -3.995 1.00 0.59 C ATOM 1259 CD1 ILE A 96 4.942 -10.691 -2.370 1.00 0.83 C ATOM 0 H ILE A 96 1.607 -9.508 -2.380 1.00 0.56 H new ATOM 0 HA ILE A 96 4.025 -8.554 -1.384 1.00 0.55 H new ATOM 0 HB ILE A 96 2.900 -8.586 -4.216 1.00 0.64 H new ATOM 0 HG12 ILE A 96 2.996 -10.797 -3.241 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.298 -10.643 -4.405 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.229 -8.456 -4.975 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.747 -7.000 -4.071 1.00 0.59 H new ATOM 0 HG23 ILE A 96 5.764 -8.235 -3.292 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.066 -11.774 -2.374 1.00 0.83 H new ATOM 0 HD12 ILE A 96 5.901 -10.215 -2.574 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.579 -10.371 -1.393 1.00 0.83 H new ATOM 1271 N LYS A 97 2.151 -6.208 -2.740 1.00 0.54 N ATOM 1272 CA LYS A 97 1.952 -4.767 -2.791 1.00 0.55 C ATOM 1273 C LYS A 97 1.655 -4.214 -1.400 1.00 0.50 C ATOM 1274 O LYS A 97 1.774 -3.016 -1.160 1.00 0.51 O ATOM 1275 CB LYS A 97 0.825 -4.425 -3.767 1.00 0.71 C ATOM 1276 CG LYS A 97 1.143 -4.818 -5.200 1.00 1.28 C ATOM 1277 CD LYS A 97 -0.067 -4.687 -6.107 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.554 -3.251 -6.209 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.677 -3.126 -7.172 1.00 1.59 N ATOM 0 H LYS A 97 1.420 -6.752 -3.199 1.00 0.54 H new ATOM 0 HA LYS A 97 2.870 -4.300 -3.147 1.00 0.55 H new ATOM 0 HB2 LYS A 97 -0.088 -4.930 -3.451 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.627 -3.354 -3.725 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.949 -4.189 -5.578 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.503 -5.846 -5.222 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.185 -5.055 -7.102 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.873 -5.316 -5.729 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -0.875 -2.904 -5.227 1.00 1.73 H new ATOM 0 HE3 LYS A 97 0.269 -2.608 -6.522 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -1.986 -2.134 -7.218 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.363 -3.435 -8.114 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -2.470 -3.721 -6.859 1.00 1.59 H new ATOM 1293 N GLY A 98 1.303 -5.108 -0.481 1.00 0.51 N ATOM 1294 CA GLY A 98 1.044 -4.713 0.889 1.00 0.52 C ATOM 1295 C GLY A 98 2.332 -4.443 1.634 1.00 0.43 C ATOM 1296 O GLY A 98 2.436 -3.455 2.365 1.00 0.48 O ATOM 0 H GLY A 98 1.192 -6.105 -0.664 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.420 -3.819 0.901 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.485 -5.499 1.397 1.00 0.52 H new ATOM 1300 N TYR A 99 3.323 -5.314 1.438 1.00 0.35 N ATOM 1301 CA TYR A 99 4.655 -5.087 1.993 1.00 0.29 C ATOM 1302 C TYR A 99 5.192 -3.776 1.442 1.00 0.31 C ATOM 1303 O TYR A 99 5.776 -2.966 2.159 1.00 0.32 O ATOM 1304 CB TYR A 99 5.633 -6.199 1.598 1.00 0.30 C ATOM 1305 CG TYR A 99 5.156 -7.621 1.807 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.377 -7.995 2.899 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.512 -8.600 0.892 1.00 0.98 C ATOM 1308 CE1 TYR A 99 3.971 -9.308 3.063 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.114 -9.907 1.052 1.00 1.11 C ATOM 1310 CZ TYR A 99 4.346 -10.257 2.135 1.00 0.72 C ATOM 1311 OH TYR A 99 3.958 -11.565 2.288 1.00 0.92 O ATOM 0 H TYR A 99 3.228 -6.177 0.903 1.00 0.35 H new ATOM 0 HA TYR A 99 4.569 -5.067 3.079 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.885 -6.074 0.545 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.554 -6.061 2.164 1.00 0.30 H new ATOM 0 HD1 TYR A 99 4.086 -7.252 3.627 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.114 -8.331 0.037 1.00 0.98 H new ATOM 0 HE1 TYR A 99 3.365 -9.588 3.912 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.404 -10.655 0.329 1.00 1.11 H new ATOM 0 HH TYR A 99 3.492 -11.670 3.144 1.00 0.92 H new ATOM 1321 N TYR A 100 4.961 -3.591 0.146 1.00 0.34 N ATOM 1322 CA TYR A 100 5.403 -2.412 -0.585 1.00 0.37 C ATOM 1323 C TYR A 100 4.870 -1.136 0.072 1.00 0.39 C ATOM 1324 O TYR A 100 5.571 -0.124 0.145 1.00 0.42 O ATOM 1325 CB TYR A 100 4.910 -2.516 -2.032 1.00 0.42 C ATOM 1326 CG TYR A 100 5.687 -1.692 -3.035 1.00 0.43 C ATOM 1327 CD1 TYR A 100 6.811 -2.217 -3.663 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.286 -0.406 -3.374 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.513 -1.482 -4.601 1.00 0.55 C ATOM 1330 CE2 TYR A 100 5.985 0.336 -4.307 1.00 0.60 C ATOM 1331 CZ TYR A 100 7.097 -0.206 -4.919 1.00 0.60 C ATOM 1332 OH TYR A 100 7.787 0.522 -5.859 1.00 0.73 O ATOM 0 H TYR A 100 4.456 -4.264 -0.431 1.00 0.34 H new ATOM 0 HA TYR A 100 6.492 -2.363 -0.570 1.00 0.37 H new ATOM 0 HB2 TYR A 100 4.947 -3.562 -2.338 1.00 0.42 H new ATOM 0 HB3 TYR A 100 3.864 -2.210 -2.066 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.141 -3.215 -3.414 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.414 0.021 -2.901 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.383 -1.905 -5.082 1.00 0.55 H new ATOM 0 HE2 TYR A 100 5.662 1.336 -4.556 1.00 0.60 H new ATOM 0 HH TYR A 100 8.110 -0.077 -6.564 1.00 0.73 H new ATOM 1342 N ARG A 101 3.631 -1.197 0.563 1.00 0.41 N ATOM 1343 CA ARG A 101 3.020 -0.061 1.251 1.00 0.46 C ATOM 1344 C ARG A 101 3.747 0.229 2.560 1.00 0.43 C ATOM 1345 O ARG A 101 4.077 1.378 2.860 1.00 0.46 O ATOM 1346 CB ARG A 101 1.538 -0.322 1.544 1.00 0.53 C ATOM 1347 CG ARG A 101 0.692 -0.614 0.318 1.00 0.82 C ATOM 1348 CD ARG A 101 0.792 0.490 -0.721 1.00 1.06 C ATOM 1349 NE ARG A 101 -0.205 0.325 -1.780 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.038 0.502 -3.078 1.00 1.58 C ATOM 1351 NH1 ARG A 101 1.264 0.801 -3.499 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.947 0.372 -3.960 1.00 1.89 N ATOM 0 H ARG A 101 3.033 -2.020 0.497 1.00 0.41 H new ATOM 0 HA ARG A 101 3.102 0.803 0.591 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.460 -1.164 2.232 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.124 0.547 2.056 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.010 -1.558 -0.125 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.349 -0.737 0.617 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.655 1.458 -0.239 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.791 0.490 -1.158 1.00 1.06 H new ATOM 0 HE ARG A 101 -1.150 0.056 -1.506 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.025 0.896 -2.827 1.00 2.34 H new ATOM 0 HH12 ARG A 101 1.443 0.935 -4.494 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.888 0.137 -3.643 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -0.763 0.507 -4.954 1.00 1.89 H new ATOM 1366 N ARG A 102 3.998 -0.823 3.333 1.00 0.41 N ATOM 1367 CA ARG A 102 4.669 -0.684 4.621 1.00 0.43 C ATOM 1368 C ARG A 102 6.098 -0.208 4.423 1.00 0.37 C ATOM 1369 O ARG A 102 6.601 0.629 5.177 1.00 0.38 O ATOM 1370 CB ARG A 102 4.669 -2.011 5.378 1.00 0.52 C ATOM 1371 CG ARG A 102 5.218 -1.895 6.788 1.00 0.87 C ATOM 1372 CD ARG A 102 5.417 -3.257 7.423 1.00 1.12 C ATOM 1373 NE ARG A 102 5.859 -3.149 8.810 1.00 1.87 N ATOM 1374 CZ ARG A 102 7.113 -3.347 9.211 1.00 2.58 C ATOM 1375 NH1 ARG A 102 8.070 -3.621 8.328 1.00 2.78 N ATOM 1376 NH2 ARG A 102 7.408 -3.257 10.501 1.00 3.57 N ATOM 0 H ARG A 102 3.747 -1.781 3.090 1.00 0.41 H new ATOM 0 HA ARG A 102 4.123 0.054 5.209 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.650 -2.397 5.422 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.261 -2.738 4.823 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.168 -1.361 6.766 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.534 -1.305 7.398 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.483 -3.817 7.382 1.00 1.12 H new ATOM 0 HD3 ARG A 102 6.153 -3.821 6.850 1.00 1.12 H new ATOM 0 HE ARG A 102 5.164 -2.907 9.516 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.846 -3.681 7.335 1.00 2.78 H new ATOM 0 HH12 ARG A 102 9.028 -3.771 8.644 1.00 2.78 H new ATOM 0 HH21 ARG A 102 6.677 -3.038 11.177 1.00 3.57 H new ATOM 0 HH22 ARG A 102 8.366 -3.407 10.817 1.00 3.57 H new ATOM 1390 N ALA A 103 6.742 -0.752 3.403 1.00 0.34 N ATOM 1391 CA ALA A 103 8.093 -0.364 3.044 1.00 0.32 C ATOM 1392 C ALA A 103 8.168 1.133 2.764 1.00 0.33 C ATOM 1393 O ALA A 103 9.045 1.824 3.276 1.00 0.35 O ATOM 1394 CB ALA A 103 8.554 -1.146 1.830 1.00 0.33 C ATOM 0 H ALA A 103 6.342 -1.473 2.803 1.00 0.34 H new ATOM 0 HA ALA A 103 8.751 -0.590 3.883 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.569 -0.847 1.569 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.536 -2.212 2.056 1.00 0.33 H new ATOM 0 HB3 ALA A 103 7.888 -0.942 0.991 1.00 0.33 H new ATOM 1400 N ALA A 104 7.228 1.629 1.962 1.00 0.33 N ATOM 1401 CA ALA A 104 7.168 3.046 1.629 1.00 0.35 C ATOM 1402 C ALA A 104 6.931 3.879 2.880 1.00 0.35 C ATOM 1403 O ALA A 104 7.472 4.974 3.020 1.00 0.38 O ATOM 1404 CB ALA A 104 6.078 3.307 0.601 1.00 0.39 C ATOM 0 H ALA A 104 6.495 1.066 1.530 1.00 0.33 H new ATOM 0 HA ALA A 104 8.125 3.338 1.197 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.048 4.371 0.365 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.289 2.740 -0.305 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.114 2.998 1.006 1.00 0.39 H new ATOM 1410 N SER A 105 6.125 3.343 3.788 1.00 0.34 N ATOM 1411 CA SER A 105 5.858 3.992 5.062 1.00 0.36 C ATOM 1412 C SER A 105 7.154 4.180 5.848 1.00 0.34 C ATOM 1413 O SER A 105 7.466 5.287 6.292 1.00 0.33 O ATOM 1414 CB SER A 105 4.857 3.158 5.860 1.00 0.40 C ATOM 1415 OG SER A 105 3.622 3.063 5.171 1.00 0.64 O ATOM 0 H SER A 105 5.642 2.453 3.662 1.00 0.34 H new ATOM 0 HA SER A 105 5.430 4.978 4.879 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.262 2.160 6.031 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.699 3.610 6.839 1.00 0.40 H new ATOM 0 HG SER A 105 3.733 2.499 4.377 1.00 0.64 H new ATOM 1421 N ASN A 106 7.921 3.102 5.998 1.00 0.36 N ATOM 1422 CA ASN A 106 9.201 3.163 6.699 1.00 0.37 C ATOM 1423 C ASN A 106 10.187 4.048 5.946 1.00 0.36 C ATOM 1424 O ASN A 106 10.878 4.872 6.548 1.00 0.37 O ATOM 1425 CB ASN A 106 9.804 1.764 6.883 1.00 0.40 C ATOM 1426 CG ASN A 106 9.106 0.946 7.957 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.537 1.617 8.946 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.091 -0.282 7.909 1.00 1.32 N flip ATOM 0 H ASN A 106 7.678 2.177 5.644 1.00 0.36 H new ATOM 0 HA ASN A 106 9.012 3.592 7.683 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.753 1.227 5.936 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.859 1.861 7.138 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.539 -0.768 7.132 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.630 -0.816 8.646 1.00 1.32 H new ATOM 1435 N MET A 107 10.224 3.879 4.628 1.00 0.38 N ATOM 1436 CA MET A 107 11.124 4.634 3.758 1.00 0.40 C ATOM 1437 C MET A 107 10.902 6.133 3.934 1.00 0.40 C ATOM 1438 O MET A 107 11.844 6.897 4.157 1.00 0.45 O ATOM 1439 CB MET A 107 10.876 4.231 2.298 1.00 0.46 C ATOM 1440 CG MET A 107 12.109 4.277 1.408 1.00 0.44 C ATOM 1441 SD MET A 107 12.742 5.939 1.141 1.00 1.26 S ATOM 1442 CE MET A 107 14.090 5.576 0.023 1.00 0.70 C ATOM 0 H MET A 107 9.631 3.214 4.131 1.00 0.38 H new ATOM 0 HA MET A 107 12.155 4.406 4.027 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.468 3.220 2.278 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.116 4.890 1.877 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.893 3.666 1.856 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.868 3.830 0.444 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.214 6.402 -0.677 1.00 0.70 H new ATOM 0 HE2 MET A 107 15.009 5.442 0.593 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.869 4.663 -0.529 1.00 0.70 H new ATOM 1452 N ALA A 108 9.641 6.540 3.867 1.00 0.36 N ATOM 1453 CA ALA A 108 9.271 7.942 3.995 1.00 0.38 C ATOM 1454 C ALA A 108 9.549 8.467 5.402 1.00 0.39 C ATOM 1455 O ALA A 108 9.865 9.644 5.586 1.00 0.43 O ATOM 1456 CB ALA A 108 7.806 8.119 3.634 1.00 0.38 C ATOM 0 H ALA A 108 8.851 5.911 3.723 1.00 0.36 H new ATOM 0 HA ALA A 108 9.882 8.524 3.305 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.532 9.169 3.731 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.643 7.794 2.606 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.191 7.520 4.306 1.00 0.38 H new ATOM 1462 N LEU A 109 9.440 7.584 6.392 1.00 0.38 N ATOM 1463 CA LEU A 109 9.704 7.946 7.780 1.00 0.40 C ATOM 1464 C LEU A 109 11.196 8.144 8.035 1.00 0.43 C ATOM 1465 O LEU A 109 11.588 8.747 9.034 1.00 0.65 O ATOM 1466 CB LEU A 109 9.158 6.874 8.727 1.00 0.38 C ATOM 1467 CG LEU A 109 7.636 6.823 8.860 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.221 5.660 9.750 1.00 0.75 C ATOM 1469 CD2 LEU A 109 7.108 8.135 9.416 1.00 0.82 C ATOM 0 H LEU A 109 9.170 6.610 6.257 1.00 0.38 H new ATOM 0 HA LEU A 109 9.196 8.891 7.972 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.508 5.900 8.385 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.586 7.037 9.716 1.00 0.38 H new ATOM 0 HG LEU A 109 7.206 6.671 7.870 1.00 0.48 H new ATOM 0 HD11 LEU A 109 6.135 5.637 9.835 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.571 4.725 9.313 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.660 5.785 10.740 1.00 0.75 H new ATOM 0 HD21 LEU A 109 6.023 8.082 9.504 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.544 8.315 10.399 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.378 8.950 8.744 1.00 0.82 H new ATOM 1481 N GLY A 110 12.025 7.642 7.128 1.00 0.39 N ATOM 1482 CA GLY A 110 13.461 7.766 7.286 1.00 0.41 C ATOM 1483 C GLY A 110 14.093 6.478 7.761 1.00 0.39 C ATOM 1484 O GLY A 110 15.279 6.436 8.084 1.00 0.47 O ATOM 0 H GLY A 110 11.728 7.151 6.285 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.906 8.059 6.335 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.680 8.561 7.999 1.00 0.41 H new ATOM 1488 N LYS A 111 13.292 5.428 7.806 1.00 0.36 N ATOM 1489 CA LYS A 111 13.770 4.110 8.192 1.00 0.38 C ATOM 1490 C LYS A 111 14.172 3.332 6.949 1.00 0.30 C ATOM 1491 O LYS A 111 13.454 2.444 6.496 1.00 0.32 O ATOM 1492 CB LYS A 111 12.687 3.360 8.976 1.00 0.53 C ATOM 1493 CG LYS A 111 12.428 3.945 10.352 1.00 0.74 C ATOM 1494 CD LYS A 111 11.120 3.451 10.953 1.00 0.54 C ATOM 1495 CE LYS A 111 10.949 3.936 12.386 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.121 5.410 12.507 1.00 1.73 N ATOM 0 H LYS A 111 12.298 5.463 7.578 1.00 0.36 H new ATOM 0 HA LYS A 111 14.641 4.217 8.838 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.760 3.372 8.403 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.982 2.316 9.082 1.00 0.53 H new ATOM 0 HG2 LYS A 111 13.252 3.684 11.016 1.00 0.74 H new ATOM 0 HG3 LYS A 111 12.406 5.033 10.284 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.284 3.801 10.347 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.096 2.361 10.931 1.00 0.54 H new ATOM 0 HE2 LYS A 111 9.959 3.657 12.746 1.00 1.22 H new ATOM 0 HE3 LYS A 111 11.674 3.434 13.026 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 10.800 5.721 13.446 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.125 5.653 12.386 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 10.559 5.887 11.773 1.00 1.73 H new ATOM 1510 N PHE A 112 15.319 3.694 6.392 1.00 0.30 N ATOM 1511 CA PHE A 112 15.767 3.145 5.120 1.00 0.29 C ATOM 1512 C PHE A 112 16.155 1.677 5.246 1.00 0.30 C ATOM 1513 O PHE A 112 15.995 0.908 4.304 1.00 0.34 O ATOM 1514 CB PHE A 112 16.944 3.957 4.583 1.00 0.35 C ATOM 1515 CG PHE A 112 16.662 5.429 4.521 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.748 5.935 3.610 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.300 6.304 5.384 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.481 7.289 3.561 1.00 0.48 C ATOM 1519 CE2 PHE A 112 17.034 7.657 5.340 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.124 8.150 4.428 1.00 0.53 C ATOM 0 H PHE A 112 15.961 4.371 6.805 1.00 0.30 H new ATOM 0 HA PHE A 112 14.935 3.209 4.419 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.815 3.786 5.216 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.200 3.599 3.586 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.240 5.264 2.933 1.00 0.41 H new ATOM 0 HD2 PHE A 112 18.014 5.923 6.099 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.770 7.674 2.845 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.538 8.329 6.019 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.915 9.209 4.392 1.00 0.53 H new ATOM 1530 N ARG A 113 16.651 1.280 6.406 1.00 0.34 N ATOM 1531 CA ARG A 113 17.030 -0.109 6.614 1.00 0.38 C ATOM 1532 C ARG A 113 15.786 -0.960 6.827 1.00 0.34 C ATOM 1533 O ARG A 113 15.690 -2.076 6.318 1.00 0.34 O ATOM 1534 CB ARG A 113 17.968 -0.243 7.808 1.00 0.49 C ATOM 1535 CG ARG A 113 18.491 -1.656 8.013 1.00 1.21 C ATOM 1536 CD ARG A 113 19.587 -1.995 7.016 1.00 1.58 C ATOM 1537 NE ARG A 113 20.808 -1.236 7.278 1.00 2.42 N ATOM 1538 CZ ARG A 113 21.920 -1.320 6.545 1.00 3.14 C ATOM 1539 NH1 ARG A 113 21.998 -2.167 5.526 1.00 3.25 N ATOM 1540 NH2 ARG A 113 22.968 -0.570 6.855 1.00 4.15 N ATOM 0 H ARG A 113 16.800 1.890 7.210 1.00 0.34 H new ATOM 0 HA ARG A 113 17.556 -0.459 5.726 1.00 0.38 H new ATOM 0 HB2 ARG A 113 18.813 0.433 7.674 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.444 0.076 8.709 1.00 0.49 H new ATOM 0 HG2 ARG A 113 18.876 -1.759 9.027 1.00 1.21 H new ATOM 0 HG3 ARG A 113 17.671 -2.367 7.910 1.00 1.21 H new ATOM 0 HD2 ARG A 113 19.804 -3.062 7.063 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.237 -1.785 6.005 1.00 1.58 H new ATOM 0 HE ARG A 113 20.810 -0.599 8.075 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.203 -2.763 5.296 1.00 3.25 H new ATOM 0 HH12 ARG A 113 22.853 -2.222 4.973 1.00 3.25 H new ATOM 0 HH21 ARG A 113 22.922 0.067 7.650 1.00 4.15 H new ATOM 0 HH22 ARG A 113 23.821 -0.630 6.298 1.00 4.15 H new ATOM 1554 N ALA A 114 14.835 -0.420 7.581 1.00 0.34 N ATOM 1555 CA ALA A 114 13.558 -1.085 7.797 1.00 0.34 C ATOM 1556 C ALA A 114 12.813 -1.237 6.477 1.00 0.28 C ATOM 1557 O ALA A 114 12.323 -2.321 6.146 1.00 0.30 O ATOM 1558 CB ALA A 114 12.714 -0.312 8.799 1.00 0.40 C ATOM 0 H ALA A 114 14.926 0.479 8.054 1.00 0.34 H new ATOM 0 HA ALA A 114 13.749 -2.077 8.206 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.764 -0.825 8.947 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.244 -0.249 9.749 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.529 0.693 8.420 1.00 0.40 H new ATOM 1564 N ALA A 115 12.763 -0.150 5.715 1.00 0.26 N ATOM 1565 CA ALA A 115 12.111 -0.149 4.415 1.00 0.23 C ATOM 1566 C ALA A 115 12.812 -1.113 3.478 1.00 0.23 C ATOM 1567 O ALA A 115 12.170 -1.829 2.713 1.00 0.25 O ATOM 1568 CB ALA A 115 12.114 1.248 3.822 1.00 0.23 C ATOM 0 H ALA A 115 13.170 0.747 5.980 1.00 0.26 H new ATOM 0 HA ALA A 115 11.078 -0.471 4.545 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.622 1.231 2.849 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.580 1.927 4.487 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.142 1.591 3.703 1.00 0.23 H new ATOM 1574 N LEU A 116 14.135 -1.131 3.561 1.00 0.24 N ATOM 1575 CA LEU A 116 14.937 -2.011 2.734 1.00 0.28 C ATOM 1576 C LEU A 116 14.581 -3.462 3.002 1.00 0.29 C ATOM 1577 O LEU A 116 14.510 -4.259 2.083 1.00 0.30 O ATOM 1578 CB LEU A 116 16.427 -1.806 2.988 1.00 0.32 C ATOM 1579 CG LEU A 116 17.336 -2.505 1.979 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.116 -1.930 0.591 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.793 -2.389 2.385 1.00 0.49 C ATOM 0 H LEU A 116 14.674 -0.542 4.196 1.00 0.24 H new ATOM 0 HA LEU A 116 14.722 -1.767 1.694 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.643 -0.738 2.975 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.667 -2.168 3.988 1.00 0.32 H new ATOM 0 HG LEU A 116 17.080 -3.564 1.963 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.769 -2.436 -0.120 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.077 -2.077 0.297 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.344 -0.864 0.598 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.417 -2.895 1.649 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.074 -1.337 2.437 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.936 -2.851 3.362 1.00 0.49 H new ATOM 1593 N ARG A 117 14.349 -3.795 4.266 1.00 0.34 N ATOM 1594 CA ARG A 117 13.993 -5.158 4.640 1.00 0.40 C ATOM 1595 C ARG A 117 12.678 -5.576 3.990 1.00 0.34 C ATOM 1596 O ARG A 117 12.547 -6.707 3.507 1.00 0.35 O ATOM 1597 CB ARG A 117 13.897 -5.300 6.160 1.00 0.57 C ATOM 1598 CG ARG A 117 15.238 -5.192 6.873 1.00 0.70 C ATOM 1599 CD ARG A 117 15.077 -5.327 8.378 1.00 1.01 C ATOM 1600 NE ARG A 117 16.360 -5.332 9.082 1.00 1.90 N ATOM 1601 CZ ARG A 117 16.493 -5.654 10.368 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.422 -5.954 11.096 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.690 -5.655 10.941 1.00 3.56 N ATOM 0 H ARG A 117 14.401 -3.142 5.048 1.00 0.34 H new ATOM 0 HA ARG A 117 14.783 -5.817 4.279 1.00 0.40 H new ATOM 0 HB2 ARG A 117 13.228 -4.531 6.546 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.446 -6.263 6.398 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.910 -5.968 6.506 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.700 -4.233 6.639 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.466 -4.505 8.750 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.540 -6.249 8.601 1.00 1.01 H new ATOM 0 HE ARG A 117 17.198 -5.075 8.560 1.00 1.90 H new ATOM 0 HH11 ARG A 117 14.495 -5.938 10.670 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.527 -6.200 12.080 1.00 2.45 H new ATOM 0 HH21 ARG A 117 18.516 -5.408 10.396 1.00 3.56 H new ATOM 0 HH22 ARG A 117 17.784 -5.903 11.926 1.00 3.56 H new ATOM 1617 N ASP A 118 11.715 -4.661 3.958 1.00 0.33 N ATOM 1618 CA ASP A 118 10.423 -4.945 3.340 1.00 0.33 C ATOM 1619 C ASP A 118 10.549 -4.973 1.818 1.00 0.28 C ATOM 1620 O ASP A 118 10.103 -5.922 1.173 1.00 0.31 O ATOM 1621 CB ASP A 118 9.361 -3.931 3.768 1.00 0.40 C ATOM 1622 CG ASP A 118 8.283 -4.559 4.632 1.00 0.63 C ATOM 1623 OD1 ASP A 118 7.647 -5.536 4.182 1.00 0.77 O ATOM 1624 OD2 ASP A 118 8.071 -4.088 5.768 1.00 1.06 O ATOM 0 H ASP A 118 11.802 -3.723 4.349 1.00 0.33 H new ATOM 0 HA ASP A 118 10.103 -5.929 3.684 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.837 -3.119 4.317 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.903 -3.491 2.882 1.00 0.40 H new ATOM 1629 N TYR A 119 11.184 -3.944 1.255 1.00 0.24 N ATOM 1630 CA TYR A 119 11.426 -3.881 -0.187 1.00 0.26 C ATOM 1631 C TYR A 119 12.209 -5.100 -0.660 1.00 0.28 C ATOM 1632 O TYR A 119 11.937 -5.653 -1.727 1.00 0.33 O ATOM 1633 CB TYR A 119 12.203 -2.618 -0.564 1.00 0.28 C ATOM 1634 CG TYR A 119 11.377 -1.353 -0.579 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.152 -1.305 -1.234 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.830 -0.204 0.054 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.403 -0.142 -1.254 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.089 0.960 0.035 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.877 0.987 -0.619 1.00 0.50 C ATOM 1640 OH TYR A 119 9.140 2.148 -0.644 1.00 0.60 O ATOM 0 H TYR A 119 11.540 -3.143 1.776 1.00 0.24 H new ATOM 0 HA TYR A 119 10.451 -3.861 -0.675 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.026 -2.490 0.139 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.645 -2.760 -1.550 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.780 -2.187 -1.734 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.778 -0.221 0.570 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.452 -0.118 -1.764 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.458 1.846 0.531 1.00 0.47 H new ATOM 0 HH TYR A 119 8.225 1.949 -0.933 1.00 0.60 H new ATOM 1650 N GLU A 120 13.182 -5.508 0.146 1.00 0.28 N ATOM 1651 CA GLU A 120 14.006 -6.665 -0.157 1.00 0.34 C ATOM 1652 C GLU A 120 13.134 -7.896 -0.283 1.00 0.37 C ATOM 1653 O GLU A 120 13.304 -8.699 -1.187 1.00 0.43 O ATOM 1654 CB GLU A 120 15.037 -6.898 0.945 1.00 0.36 C ATOM 1655 CG GLU A 120 16.215 -7.748 0.502 1.00 0.42 C ATOM 1656 CD GLU A 120 17.026 -8.274 1.665 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.599 -9.272 2.285 1.00 0.61 O ATOM 1658 OE2 GLU A 120 18.094 -7.710 1.960 1.00 0.58 O ATOM 0 H GLU A 120 13.419 -5.046 1.024 1.00 0.28 H new ATOM 0 HA GLU A 120 14.525 -6.477 -1.097 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.406 -5.934 1.296 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.549 -7.380 1.792 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.850 -8.587 -0.090 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.860 -7.157 -0.148 1.00 0.42 H new ATOM 1665 N THR A 121 12.188 -8.029 0.626 1.00 0.36 N ATOM 1666 CA THR A 121 11.284 -9.157 0.614 1.00 0.40 C ATOM 1667 C THR A 121 10.434 -9.151 -0.656 1.00 0.40 C ATOM 1668 O THR A 121 10.228 -10.192 -1.278 1.00 0.45 O ATOM 1669 CB THR A 121 10.386 -9.146 1.858 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.199 -9.091 3.039 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.508 -10.385 1.901 1.00 0.47 C ATOM 0 H THR A 121 12.027 -7.366 1.384 1.00 0.36 H new ATOM 0 HA THR A 121 11.879 -10.070 0.628 1.00 0.40 H new ATOM 0 HB THR A 121 9.743 -8.267 1.813 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.600 -8.200 3.119 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.880 -10.355 2.792 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.877 -10.415 1.013 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.136 -11.275 1.930 1.00 0.47 H new ATOM 1679 N VAL A 122 9.979 -7.968 -1.054 1.00 0.37 N ATOM 1680 CA VAL A 122 9.194 -7.816 -2.272 1.00 0.39 C ATOM 1681 C VAL A 122 10.008 -8.236 -3.497 1.00 0.44 C ATOM 1682 O VAL A 122 9.521 -8.969 -4.361 1.00 0.50 O ATOM 1683 CB VAL A 122 8.714 -6.357 -2.456 1.00 0.38 C ATOM 1684 CG1 VAL A 122 7.839 -6.227 -3.691 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.967 -5.876 -1.221 1.00 0.36 C ATOM 0 H VAL A 122 10.142 -7.097 -0.548 1.00 0.37 H new ATOM 0 HA VAL A 122 8.322 -8.463 -2.176 1.00 0.39 H new ATOM 0 HB VAL A 122 9.593 -5.728 -2.593 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.514 -5.192 -3.799 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.408 -6.523 -4.573 1.00 0.43 H new ATOM 0 HG13 VAL A 122 6.967 -6.873 -3.589 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.638 -4.848 -1.372 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.099 -6.513 -1.050 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.628 -5.922 -0.355 1.00 0.36 H new ATOM 1695 N VAL A 123 11.258 -7.786 -3.552 1.00 0.44 N ATOM 1696 CA VAL A 123 12.123 -8.085 -4.688 1.00 0.51 C ATOM 1697 C VAL A 123 12.644 -9.525 -4.624 1.00 0.57 C ATOM 1698 O VAL A 123 13.169 -10.051 -5.603 1.00 0.67 O ATOM 1699 CB VAL A 123 13.311 -7.095 -4.779 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.359 -7.382 -3.718 1.00 0.48 C ATOM 1701 CG2 VAL A 123 13.932 -7.113 -6.167 1.00 0.59 C ATOM 0 H VAL A 123 11.693 -7.216 -2.827 1.00 0.44 H new ATOM 0 HA VAL A 123 11.517 -7.972 -5.587 1.00 0.51 H new ATOM 0 HB VAL A 123 12.917 -6.096 -4.594 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.177 -6.668 -3.812 1.00 0.48 H new ATOM 0 HG12 VAL A 123 13.910 -7.291 -2.729 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.743 -8.393 -3.850 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.763 -6.409 -6.203 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.296 -8.116 -6.390 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.182 -6.827 -6.905 1.00 0.59 H new ATOM 1711 N LYS A 124 12.505 -10.166 -3.469 1.00 0.55 N ATOM 1712 CA LYS A 124 12.873 -11.569 -3.340 1.00 0.61 C ATOM 1713 C LYS A 124 11.739 -12.460 -3.818 1.00 0.63 C ATOM 1714 O LYS A 124 11.956 -13.609 -4.204 1.00 0.72 O ATOM 1715 CB LYS A 124 13.266 -11.910 -1.900 1.00 0.62 C ATOM 1716 CG LYS A 124 14.631 -11.356 -1.520 1.00 0.67 C ATOM 1717 CD LYS A 124 15.056 -11.743 -0.112 1.00 0.75 C ATOM 1718 CE LYS A 124 14.109 -11.190 0.941 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.729 -11.193 2.290 1.00 1.07 N ATOM 0 H LYS A 124 12.143 -9.740 -2.616 1.00 0.55 H new ATOM 0 HA LYS A 124 13.744 -11.750 -3.970 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.514 -11.513 -1.218 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.270 -12.993 -1.775 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.375 -11.717 -2.231 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.612 -10.269 -1.603 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.094 -12.829 -0.031 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.064 -11.373 0.077 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.822 -10.173 0.674 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.196 -11.785 0.958 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.983 -11.209 3.015 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.331 -12.035 2.393 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.308 -10.337 2.408 1.00 1.07 H new ATOM 1733 N VAL A 125 10.533 -11.920 -3.806 1.00 0.59 N ATOM 1734 CA VAL A 125 9.382 -12.640 -4.323 1.00 0.63 C ATOM 1735 C VAL A 125 9.308 -12.498 -5.839 1.00 0.69 C ATOM 1736 O VAL A 125 9.291 -13.495 -6.560 1.00 0.75 O ATOM 1737 CB VAL A 125 8.067 -12.158 -3.685 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.881 -12.912 -4.269 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.124 -12.332 -2.175 1.00 0.59 C ATOM 0 H VAL A 125 10.325 -10.989 -3.445 1.00 0.59 H new ATOM 0 HA VAL A 125 9.511 -13.690 -4.062 1.00 0.63 H new ATOM 0 HB VAL A 125 7.938 -11.099 -3.908 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.960 -12.557 -3.806 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.835 -12.741 -5.345 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.997 -13.978 -4.076 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.189 -11.988 -1.734 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.273 -13.385 -1.935 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.952 -11.748 -1.772 1.00 0.59 H new ATOM 1749 N LYS A 126 9.287 -11.264 -6.329 1.00 0.68 N ATOM 1750 CA LYS A 126 9.337 -11.032 -7.765 1.00 0.76 C ATOM 1751 C LYS A 126 10.494 -10.114 -8.143 1.00 0.75 C ATOM 1752 O LYS A 126 10.334 -8.903 -8.278 1.00 0.73 O ATOM 1753 CB LYS A 126 7.998 -10.516 -8.331 1.00 0.80 C ATOM 1754 CG LYS A 126 7.124 -9.713 -7.372 1.00 0.73 C ATOM 1755 CD LYS A 126 7.502 -8.240 -7.328 1.00 0.71 C ATOM 1756 CE LYS A 126 6.277 -7.358 -7.125 1.00 0.73 C ATOM 1757 NZ LYS A 126 5.278 -7.513 -8.222 1.00 1.12 N ATOM 0 H LYS A 126 9.236 -10.419 -5.760 1.00 0.68 H new ATOM 0 HA LYS A 126 9.516 -12.002 -8.229 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.211 -9.895 -9.201 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.423 -11.372 -8.683 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.080 -9.807 -7.672 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.207 -10.135 -6.371 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.213 -8.069 -6.520 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.002 -7.963 -8.256 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.808 -7.605 -6.172 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.589 -6.315 -7.066 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 4.658 -6.678 -8.248 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 5.773 -7.605 -9.132 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 4.705 -8.364 -8.052 1.00 1.12 H new ATOM 1771 N PRO A 127 11.692 -10.700 -8.307 1.00 0.80 N ATOM 1772 CA PRO A 127 12.892 -9.971 -8.735 1.00 0.83 C ATOM 1773 C PRO A 127 12.851 -9.659 -10.221 1.00 0.92 C ATOM 1774 O PRO A 127 13.684 -8.926 -10.745 1.00 0.96 O ATOM 1775 CB PRO A 127 14.024 -10.950 -8.432 1.00 0.87 C ATOM 1776 CG PRO A 127 13.394 -12.292 -8.542 1.00 0.97 C ATOM 1777 CD PRO A 127 11.976 -12.127 -8.070 1.00 0.86 C ATOM 0 HA PRO A 127 12.998 -9.010 -8.232 1.00 0.83 H new ATOM 0 HB2 PRO A 127 14.846 -10.838 -9.139 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.436 -10.785 -7.436 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.423 -12.653 -9.570 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.925 -13.023 -7.932 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.292 -12.769 -8.625 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.872 -12.386 -7.016 1.00 0.86 H new ATOM 1785 N HIS A 128 11.867 -10.231 -10.895 1.00 0.99 N ATOM 1786 CA HIS A 128 11.681 -10.000 -12.315 1.00 1.12 C ATOM 1787 C HIS A 128 10.888 -8.714 -12.498 1.00 1.04 C ATOM 1788 O HIS A 128 10.814 -8.158 -13.594 1.00 1.11 O ATOM 1789 CB HIS A 128 10.935 -11.173 -12.965 1.00 1.33 C ATOM 1790 CG HIS A 128 11.389 -12.524 -12.498 1.00 2.00 C ATOM 1791 ND1 HIS A 128 10.521 -13.468 -12.007 1.00 2.75 N ATOM 1792 CD2 HIS A 128 12.621 -13.082 -12.438 1.00 2.49 C ATOM 1793 CE1 HIS A 128 11.194 -14.548 -11.665 1.00 3.56 C ATOM 1794 NE2 HIS A 128 12.474 -14.343 -11.913 1.00 3.37 N ATOM 0 H HIS A 128 11.182 -10.861 -10.478 1.00 0.99 H new ATOM 0 HA HIS A 128 12.655 -9.913 -12.797 1.00 1.12 H new ATOM 0 HB2 HIS A 128 9.869 -11.069 -12.761 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.059 -11.114 -14.046 1.00 1.33 H new ATOM 0 HD2 HIS A 128 13.548 -12.621 -12.746 1.00 2.49 H new ATOM 0 HE1 HIS A 128 10.769 -15.450 -11.251 1.00 3.56 H new ATOM 0 HE2 HIS A 128 13.228 -15.009 -11.743 1.00 3.37 H new ATOM 1803 N ASP A 129 10.309 -8.251 -11.399 1.00 0.92 N ATOM 1804 CA ASP A 129 9.502 -7.038 -11.396 1.00 0.89 C ATOM 1805 C ASP A 129 10.337 -5.836 -11.005 1.00 0.83 C ATOM 1806 O ASP A 129 10.714 -5.689 -9.842 1.00 0.80 O ATOM 1807 CB ASP A 129 8.339 -7.161 -10.415 1.00 0.89 C ATOM 1808 CG ASP A 129 7.114 -7.819 -11.007 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.239 -8.902 -11.613 1.00 1.09 O ATOM 1810 OD2 ASP A 129 6.010 -7.255 -10.849 1.00 1.11 O ATOM 0 H ASP A 129 10.385 -8.703 -10.488 1.00 0.92 H new ATOM 0 HA ASP A 129 9.116 -6.903 -12.406 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.666 -7.735 -9.548 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.070 -6.167 -10.057 1.00 0.89 H new ATOM 1815 N LYS A 130 10.610 -4.962 -11.961 1.00 0.85 N ATOM 1816 CA LYS A 130 11.362 -3.750 -11.678 1.00 0.89 C ATOM 1817 C LYS A 130 10.516 -2.783 -10.868 1.00 0.84 C ATOM 1818 O LYS A 130 11.029 -1.838 -10.286 1.00 0.84 O ATOM 1819 CB LYS A 130 11.890 -3.085 -12.961 1.00 1.04 C ATOM 1820 CG LYS A 130 10.846 -2.821 -14.045 1.00 1.18 C ATOM 1821 CD LYS A 130 9.939 -1.644 -13.708 1.00 1.44 C ATOM 1822 CE LYS A 130 9.013 -1.300 -14.862 1.00 2.28 C ATOM 1823 NZ LYS A 130 9.756 -0.744 -16.026 1.00 3.05 N ATOM 0 H LYS A 130 10.324 -5.068 -12.934 1.00 0.85 H new ATOM 0 HA LYS A 130 12.234 -4.031 -11.087 1.00 0.89 H new ATOM 0 HB2 LYS A 130 12.356 -2.137 -12.692 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.672 -3.717 -13.381 1.00 1.04 H new ATOM 0 HG2 LYS A 130 11.351 -2.627 -14.991 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.238 -3.715 -14.185 1.00 1.18 H new ATOM 0 HD2 LYS A 130 9.347 -1.882 -12.825 1.00 1.44 H new ATOM 0 HD3 LYS A 130 10.548 -0.775 -13.459 1.00 1.44 H new ATOM 0 HE2 LYS A 130 8.471 -2.194 -15.171 1.00 2.28 H new ATOM 0 HE3 LYS A 130 8.270 -0.577 -14.527 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 9.085 -0.306 -16.689 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 10.433 -0.027 -15.695 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 10.270 -1.509 -16.508 1.00 3.05 H new ATOM 1837 N ASP A 131 9.214 -3.033 -10.837 1.00 0.86 N ATOM 1838 CA ASP A 131 8.305 -2.253 -10.009 1.00 0.90 C ATOM 1839 C ASP A 131 8.633 -2.486 -8.541 1.00 0.77 C ATOM 1840 O ASP A 131 8.471 -1.601 -7.700 1.00 0.80 O ATOM 1841 CB ASP A 131 6.854 -2.648 -10.292 1.00 1.05 C ATOM 1842 CG ASP A 131 6.475 -2.476 -11.750 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.171 -1.340 -12.165 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.484 -3.484 -12.489 1.00 1.82 O ATOM 0 H ASP A 131 8.763 -3.772 -11.377 1.00 0.86 H new ATOM 0 HA ASP A 131 8.426 -1.196 -10.244 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.701 -3.687 -10.001 1.00 1.05 H new ATOM 0 HB3 ASP A 131 6.190 -2.043 -9.674 1.00 1.05 H new ATOM 1849 N ALA A 132 9.109 -3.693 -8.252 1.00 0.69 N ATOM 1850 CA ALA A 132 9.559 -4.050 -6.923 1.00 0.62 C ATOM 1851 C ALA A 132 11.014 -3.651 -6.749 1.00 0.59 C ATOM 1852 O ALA A 132 11.393 -3.046 -5.743 1.00 0.56 O ATOM 1853 CB ALA A 132 9.397 -5.545 -6.703 1.00 0.65 C ATOM 0 H ALA A 132 9.191 -4.446 -8.935 1.00 0.69 H new ATOM 0 HA ALA A 132 8.955 -3.520 -6.187 1.00 0.62 H new ATOM 0 HB1 ALA A 132 9.738 -5.804 -5.701 1.00 0.65 H new ATOM 0 HB2 ALA A 132 8.347 -5.817 -6.811 1.00 0.65 H new ATOM 0 HB3 ALA A 132 9.990 -6.087 -7.440 1.00 0.65 H new ATOM 1859 N LYS A 133 11.816 -4.004 -7.751 1.00 0.63 N ATOM 1860 CA LYS A 133 13.238 -3.677 -7.773 1.00 0.66 C ATOM 1861 C LYS A 133 13.462 -2.193 -7.523 1.00 0.65 C ATOM 1862 O LYS A 133 14.187 -1.829 -6.611 1.00 0.63 O ATOM 1863 CB LYS A 133 13.854 -4.075 -9.120 1.00 0.74 C ATOM 1864 CG LYS A 133 13.741 -5.560 -9.410 1.00 0.75 C ATOM 1865 CD LYS A 133 14.098 -5.905 -10.846 1.00 0.95 C ATOM 1866 CE LYS A 133 15.558 -5.648 -11.160 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.925 -6.212 -12.485 1.00 1.93 N ATOM 0 H LYS A 133 11.498 -4.524 -8.569 1.00 0.63 H new ATOM 0 HA LYS A 133 13.724 -4.238 -6.975 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.362 -3.517 -9.917 1.00 0.74 H new ATOM 0 HB3 LYS A 133 14.905 -3.788 -9.131 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.397 -6.109 -8.735 1.00 0.75 H new ATOM 0 HG3 LYS A 133 12.723 -5.890 -9.204 1.00 0.75 H new ATOM 0 HD2 LYS A 133 13.869 -6.954 -11.031 1.00 0.95 H new ATOM 0 HD3 LYS A 133 13.476 -5.319 -11.522 1.00 0.95 H new ATOM 0 HE2 LYS A 133 15.752 -4.575 -11.151 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.184 -6.092 -10.386 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 16.930 -6.023 -12.677 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 15.760 -7.239 -12.483 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 15.342 -5.769 -13.224 1.00 1.93 H new ATOM 1881 N MET A 134 12.795 -1.357 -8.315 1.00 0.68 N ATOM 1882 CA MET A 134 12.980 0.096 -8.286 1.00 0.72 C ATOM 1883 C MET A 134 13.132 0.640 -6.868 1.00 0.65 C ATOM 1884 O MET A 134 14.142 1.260 -6.539 1.00 0.68 O ATOM 1885 CB MET A 134 11.794 0.784 -8.968 1.00 0.78 C ATOM 1886 CG MET A 134 11.857 2.303 -8.921 1.00 0.84 C ATOM 1887 SD MET A 134 10.364 3.085 -9.569 1.00 0.97 S ATOM 1888 CE MET A 134 10.354 2.460 -11.250 1.00 1.61 C ATOM 0 H MET A 134 12.106 -1.668 -9.000 1.00 0.68 H new ATOM 0 HA MET A 134 13.905 0.311 -8.821 1.00 0.72 H new ATOM 0 HB2 MET A 134 11.749 0.463 -10.009 1.00 0.78 H new ATOM 0 HB3 MET A 134 10.871 0.453 -8.492 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.012 2.624 -7.891 1.00 0.84 H new ATOM 0 HG3 MET A 134 12.719 2.644 -9.495 1.00 0.84 H new ATOM 0 HE1 MET A 134 9.674 3.059 -11.857 1.00 1.61 H new ATOM 0 HE2 MET A 134 11.360 2.519 -11.666 1.00 1.61 H new ATOM 0 HE3 MET A 134 10.022 1.422 -11.250 1.00 1.61 H new ATOM 1898 N LYS A 135 12.138 0.388 -6.028 1.00 0.59 N ATOM 1899 CA LYS A 135 12.140 0.922 -4.673 1.00 0.54 C ATOM 1900 C LYS A 135 13.149 0.198 -3.786 1.00 0.48 C ATOM 1901 O LYS A 135 13.708 0.795 -2.866 1.00 0.46 O ATOM 1902 CB LYS A 135 10.737 0.851 -4.075 1.00 0.54 C ATOM 1903 CG LYS A 135 10.028 2.199 -4.004 1.00 0.65 C ATOM 1904 CD LYS A 135 10.037 2.917 -5.343 1.00 0.76 C ATOM 1905 CE LYS A 135 9.238 4.211 -5.294 1.00 1.05 C ATOM 1906 NZ LYS A 135 9.699 5.114 -4.207 1.00 1.94 N ATOM 0 H LYS A 135 11.323 -0.180 -6.259 1.00 0.59 H new ATOM 0 HA LYS A 135 12.445 1.967 -4.723 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.134 0.165 -4.669 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.801 0.432 -3.071 1.00 0.54 H new ATOM 0 HG2 LYS A 135 8.998 2.051 -3.679 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.512 2.824 -3.254 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.065 3.135 -5.632 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.622 2.262 -6.110 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.323 4.725 -6.252 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.183 3.979 -5.149 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 9.430 6.093 -4.432 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 9.257 4.831 -3.309 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 10.733 5.051 -4.118 1.00 1.94 H new ATOM 1920 N TYR A 136 13.390 -1.079 -4.066 1.00 0.48 N ATOM 1921 CA TYR A 136 14.420 -1.832 -3.353 1.00 0.46 C ATOM 1922 C TYR A 136 15.786 -1.191 -3.559 1.00 0.47 C ATOM 1923 O TYR A 136 16.493 -0.879 -2.603 1.00 0.48 O ATOM 1924 CB TYR A 136 14.478 -3.291 -3.834 1.00 0.48 C ATOM 1925 CG TYR A 136 15.716 -4.023 -3.359 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.906 -4.331 -2.017 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.707 -4.391 -4.261 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.051 -4.978 -1.590 1.00 0.51 C ATOM 1929 CE2 TYR A 136 17.849 -5.042 -3.841 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.018 -5.332 -2.506 1.00 0.54 C ATOM 1931 OH TYR A 136 19.164 -5.967 -2.091 1.00 0.59 O ATOM 0 H TYR A 136 12.890 -1.613 -4.777 1.00 0.48 H new ATOM 0 HA TYR A 136 14.160 -1.817 -2.295 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.592 -3.819 -3.481 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.447 -3.310 -4.923 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.148 -4.061 -1.297 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.581 -4.163 -5.309 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.187 -5.205 -0.543 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.607 -5.323 -4.557 1.00 0.57 H new ATOM 0 HH TYR A 136 19.738 -6.145 -2.865 1.00 0.59 H new ATOM 1941 N GLN A 137 16.132 -0.986 -4.817 1.00 0.49 N ATOM 1942 CA GLN A 137 17.449 -0.503 -5.191 1.00 0.51 C ATOM 1943 C GLN A 137 17.593 0.948 -4.779 1.00 0.53 C ATOM 1944 O GLN A 137 18.668 1.393 -4.383 1.00 0.57 O ATOM 1945 CB GLN A 137 17.637 -0.656 -6.699 1.00 0.55 C ATOM 1946 CG GLN A 137 16.893 -1.859 -7.252 1.00 0.61 C ATOM 1947 CD GLN A 137 17.232 -2.197 -8.680 1.00 1.17 C ATOM 1948 OE1 GLN A 137 16.720 -1.587 -9.618 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.018 -3.236 -8.855 1.00 1.24 N ATOM 0 H GLN A 137 15.509 -1.149 -5.608 1.00 0.49 H new ATOM 0 HA GLN A 137 18.216 -1.087 -4.682 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.288 0.247 -7.200 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.699 -0.754 -6.923 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.109 -2.724 -6.625 1.00 0.61 H new ATOM 0 HG3 GLN A 137 15.821 -1.673 -7.180 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.421 -3.712 -8.048 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.225 -3.566 -9.798 1.00 1.24 H new ATOM 1958 N GLU A 138 16.489 1.666 -4.867 1.00 0.53 N ATOM 1959 CA GLU A 138 16.417 3.042 -4.416 1.00 0.57 C ATOM 1960 C GLU A 138 16.697 3.142 -2.916 1.00 0.54 C ATOM 1961 O GLU A 138 17.458 4.001 -2.476 1.00 0.60 O ATOM 1962 CB GLU A 138 15.039 3.595 -4.759 1.00 0.60 C ATOM 1963 CG GLU A 138 14.651 4.852 -4.002 1.00 0.69 C ATOM 1964 CD GLU A 138 13.346 5.431 -4.493 1.00 1.33 C ATOM 1965 OE1 GLU A 138 13.362 6.186 -5.492 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.295 5.134 -3.892 1.00 2.04 O ATOM 0 H GLU A 138 15.615 1.310 -5.254 1.00 0.53 H new ATOM 0 HA GLU A 138 17.180 3.634 -4.921 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.003 3.806 -5.828 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.294 2.824 -4.561 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.569 4.624 -2.939 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.440 5.597 -4.108 1.00 0.69 H new ATOM 1973 N CYS A 139 16.096 2.260 -2.132 1.00 0.47 N ATOM 1974 CA CYS A 139 16.343 2.248 -0.698 1.00 0.44 C ATOM 1975 C CYS A 139 17.764 1.765 -0.427 1.00 0.43 C ATOM 1976 O CYS A 139 18.457 2.289 0.443 1.00 0.42 O ATOM 1977 CB CYS A 139 15.338 1.338 0.017 1.00 0.42 C ATOM 1978 SG CYS A 139 14.988 1.822 1.718 1.00 1.06 S ATOM 0 H CYS A 139 15.441 1.550 -2.460 1.00 0.47 H new ATOM 0 HA CYS A 139 16.224 3.261 -0.315 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.405 1.331 -0.547 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.721 0.317 0.012 1.00 0.42 H new ATOM 0 HG CYS A 139 15.808 1.211 2.521 1.00 1.06 H new ATOM 1984 N ASN A 140 18.191 0.775 -1.203 1.00 0.45 N ATOM 1985 CA ASN A 140 19.514 0.181 -1.047 1.00 0.48 C ATOM 1986 C ASN A 140 20.606 1.207 -1.303 1.00 0.52 C ATOM 1987 O ASN A 140 21.523 1.359 -0.494 1.00 0.54 O ATOM 1988 CB ASN A 140 19.679 -1.015 -1.991 1.00 0.52 C ATOM 1989 CG ASN A 140 20.991 -1.751 -1.794 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.564 -1.753 -0.705 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.465 -2.399 -2.847 1.00 1.13 N ATOM 0 H ASN A 140 17.635 0.364 -1.953 1.00 0.45 H new ATOM 0 HA ASN A 140 19.607 -0.167 -0.018 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.853 -1.709 -1.836 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.615 -0.668 -3.022 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.336 -2.925 -2.773 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.959 -2.372 -3.732 1.00 1.13 H new ATOM 1998 N LYS A 141 20.499 1.929 -2.416 1.00 0.56 N ATOM 1999 CA LYS A 141 21.487 2.943 -2.749 1.00 0.63 C ATOM 2000 C LYS A 141 21.513 4.022 -1.679 1.00 0.60 C ATOM 2001 O LYS A 141 22.576 4.525 -1.337 1.00 0.65 O ATOM 2002 CB LYS A 141 21.218 3.578 -4.119 1.00 0.70 C ATOM 2003 CG LYS A 141 19.886 4.296 -4.211 1.00 0.69 C ATOM 2004 CD LYS A 141 19.817 5.217 -5.415 1.00 0.81 C ATOM 2005 CE LYS A 141 18.432 5.834 -5.548 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.313 6.721 -6.735 1.00 1.15 N ATOM 0 H LYS A 141 19.744 1.830 -3.095 1.00 0.56 H new ATOM 0 HA LYS A 141 22.457 2.449 -2.795 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.017 4.284 -4.345 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.255 2.801 -4.882 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.082 3.562 -4.270 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.723 4.875 -3.302 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.563 6.006 -5.318 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.059 4.659 -6.319 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.689 5.039 -5.617 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.205 6.405 -4.648 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.352 7.115 -6.779 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.002 7.496 -6.659 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 18.502 6.173 -7.598 1.00 1.15 H new ATOM 2020 N ILE A 142 20.345 4.351 -1.130 1.00 0.54 N ATOM 2021 CA ILE A 142 20.257 5.374 -0.097 1.00 0.52 C ATOM 2022 C ILE A 142 20.942 4.923 1.187 1.00 0.49 C ATOM 2023 O ILE A 142 21.536 5.730 1.903 1.00 0.51 O ATOM 2024 CB ILE A 142 18.801 5.800 0.169 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.317 6.651 -1.005 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.686 6.565 1.480 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.935 7.235 -0.818 1.00 0.60 C ATOM 0 H ILE A 142 19.453 3.925 -1.383 1.00 0.54 H new ATOM 0 HA ILE A 142 20.786 6.251 -0.469 1.00 0.52 H new ATOM 0 HB ILE A 142 18.174 4.913 0.259 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.024 7.465 -1.166 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.322 6.041 -1.908 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.648 6.854 1.643 1.00 0.49 H new ATOM 0 HG22 ILE A 142 19.020 5.931 2.302 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.308 7.459 1.436 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.667 7.824 -1.695 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.213 6.428 -0.689 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.926 7.874 0.065 1.00 0.60 H new ATOM 2039 N VAL A 143 20.887 3.633 1.462 1.00 0.46 N ATOM 2040 CA VAL A 143 21.650 3.074 2.562 1.00 0.47 C ATOM 2041 C VAL A 143 23.145 3.297 2.325 1.00 0.56 C ATOM 2042 O VAL A 143 23.912 3.534 3.258 1.00 0.59 O ATOM 2043 CB VAL A 143 21.375 1.570 2.736 1.00 0.47 C ATOM 2044 CG1 VAL A 143 22.322 0.978 3.761 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.928 1.331 3.143 1.00 0.41 C ATOM 0 H VAL A 143 20.326 2.957 0.943 1.00 0.46 H new ATOM 0 HA VAL A 143 21.339 3.583 3.474 1.00 0.47 H new ATOM 0 HB VAL A 143 21.545 1.075 1.780 1.00 0.47 H new ATOM 0 HG11 VAL A 143 22.116 -0.086 3.874 1.00 0.55 H new ATOM 0 HG12 VAL A 143 23.351 1.115 3.428 1.00 0.55 H new ATOM 0 HG13 VAL A 143 22.181 1.479 4.719 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.755 0.261 3.261 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.727 1.837 4.087 1.00 0.41 H new ATOM 0 HG23 VAL A 143 19.264 1.723 2.373 1.00 0.41 H new ATOM 2055 N LYS A 144 23.546 3.240 1.063 1.00 0.63 N ATOM 2056 CA LYS A 144 24.938 3.449 0.686 1.00 0.74 C ATOM 2057 C LYS A 144 25.264 4.930 0.655 1.00 0.76 C ATOM 2058 O LYS A 144 26.422 5.324 0.799 1.00 0.85 O ATOM 2059 CB LYS A 144 25.214 2.810 -0.671 1.00 0.84 C ATOM 2060 CG LYS A 144 24.557 1.456 -0.791 1.00 0.83 C ATOM 2061 CD LYS A 144 24.943 0.724 -2.063 1.00 1.10 C ATOM 2062 CE LYS A 144 24.438 -0.711 -2.032 1.00 1.57 C ATOM 2063 NZ LYS A 144 24.981 -1.524 -3.151 1.00 2.23 N ATOM 0 H LYS A 144 22.923 3.050 0.278 1.00 0.63 H new ATOM 0 HA LYS A 144 25.578 2.976 1.431 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.849 3.464 -1.463 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.290 2.707 -0.813 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.831 0.847 0.070 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.474 1.579 -0.763 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.528 1.242 -2.927 1.00 1.10 H new ATOM 0 HD3 LYS A 144 26.027 0.731 -2.178 1.00 1.10 H new ATOM 0 HE2 LYS A 144 24.715 -1.171 -1.084 1.00 1.57 H new ATOM 0 HE3 LYS A 144 23.349 -0.712 -2.080 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 24.609 -2.493 -3.088 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 24.695 -1.102 -4.057 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 26.019 -1.547 -3.092 1.00 2.23 H new ATOM 2077 N GLN A 145 24.239 5.755 0.463 1.00 0.70 N ATOM 2078 CA GLN A 145 24.398 7.195 0.589 1.00 0.74 C ATOM 2079 C GLN A 145 24.772 7.523 2.019 1.00 0.75 C ATOM 2080 O GLN A 145 25.450 8.509 2.302 1.00 0.84 O ATOM 2081 CB GLN A 145 23.105 7.927 0.246 1.00 0.71 C ATOM 2082 CG GLN A 145 22.451 7.431 -1.018 1.00 0.72 C ATOM 2083 CD GLN A 145 23.146 7.879 -2.289 1.00 0.94 C ATOM 2084 OE1 GLN A 145 24.364 8.063 -2.326 1.00 1.36 O ATOM 2085 NE2 GLN A 145 22.361 8.083 -3.334 1.00 1.27 N ATOM 0 H GLN A 145 23.296 5.451 0.221 1.00 0.70 H new ATOM 0 HA GLN A 145 25.176 7.516 -0.104 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.405 7.819 1.074 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.316 8.992 0.143 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.422 6.342 -0.997 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.418 7.777 -1.040 1.00 0.72 H new ATOM 0 HE21 GLN A 145 21.357 7.918 -3.258 1.00 1.27 H new ATOM 0 HE22 GLN A 145 22.759 8.406 -4.216 1.00 1.27 H new ATOM 2094 N LYS A 146 24.297 6.672 2.915 1.00 0.67 N ATOM 2095 CA LYS A 146 24.554 6.806 4.332 1.00 0.70 C ATOM 2096 C LYS A 146 25.851 6.105 4.726 1.00 0.84 C ATOM 2097 O LYS A 146 26.214 6.086 5.905 1.00 0.94 O ATOM 2098 CB LYS A 146 23.394 6.215 5.130 1.00 0.58 C ATOM 2099 CG LYS A 146 22.091 6.982 4.989 1.00 0.58 C ATOM 2100 CD LYS A 146 20.980 6.333 5.798 1.00 0.64 C ATOM 2101 CE LYS A 146 21.355 6.220 7.268 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.558 7.548 7.904 1.00 1.73 N ATOM 0 H LYS A 146 23.720 5.866 2.674 1.00 0.67 H new ATOM 0 HA LYS A 146 24.653 7.868 4.557 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.234 5.186 4.810 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.671 6.182 6.184 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.234 8.010 5.322 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.803 7.024 3.939 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.066 6.919 5.698 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.769 5.341 5.398 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.571 5.681 7.800 1.00 1.40 H new ATOM 0 HE3 LYS A 146 22.267 5.631 7.363 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 21.711 7.424 8.925 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 22.388 8.011 7.483 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 20.716 8.139 7.750 1.00 1.73 H new