USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1235 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 99 THR OG1 : rot 46:sc= 0.983 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.181 K(o=1.2,f=-2) USER MOD Set 2.1: A 91 SER OG : rot 140:sc= 0.327 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.331 X(o=0.66,f=0.54) USER MOD Set 3.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 139 ASN : amide:sc= -0.0528 K(o=-0.053,f=-0.84) USER MOD Set 4.1: A 73 LYS NZ :NH3+ -139:sc= 1.04 (180deg=0.376) USER MOD Set 4.2: A 147 TYR OH : rot 180:sc= 0.206 USER MOD Set 5.1: A 67 LYS NZ :NH3+ -121:sc= 0.746 (180deg=0.541) USER MOD Set 5.2: A 69 THR OG1 : rot 180:sc= 0.369 USER MOD Set 6.1: A 31 ASN : amide:sc= 0.642 K(o=1.5,f=-1.2) USER MOD Set 6.2: A 34 THR OG1 : rot 96:sc= 0.85 USER MOD Set 7.1: A 24 ASN : amide:sc= 0.554 K(o=1.2,f=-1.6) USER MOD Set 7.2: A 26 GLN : amide:sc= 0.631 K(o=1.2,f=-0.35) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 8 MET CE :methyl -125:sc= 0 (180deg=-0.0214) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc=-0.00252 (180deg=-0.0893) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00495) USER MOD Single : A 17 CYS SG : rot -33:sc= 0.00143 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.51 K(o=1.5,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0482 K(o=-0.048,f=-0.97) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : A 61 TYR OH : rot 145:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0.356 (180deg=0.354) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.608) USER MOD Single : A 72 THR OG1 : rot 30:sc= 0.0247 USER MOD Single : A 76 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.9!) USER MOD Single : A 78 ASN : amide:sc= -2.79 K(o=-2.8,f=-4.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 167:sc= 1.51 USER MOD Single : A 106 GLN : amide:sc= -0.5 K(o=-0.5,f=-1) USER MOD Single : A 107 SER OG : rot -140:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.716 K(o=0.72,f=-10!) USER MOD Single : A 116 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.0048) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -146:sc= -0.892! (180deg=-1.3!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -133:sc= 1.23 (180deg=-0.378) USER MOD Single : A 137 CYS SG : rot 80:sc= 0.186 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 83:sc= 0.501 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.23) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.385 -0.742 7.668 1.00 0.48 N ATOM 31 CA ALA A 3 -18.251 -0.430 6.809 1.00 0.43 C ATOM 32 C ALA A 3 -18.088 -1.500 5.742 1.00 0.41 C ATOM 33 O ALA A 3 -17.925 -1.181 4.576 1.00 0.43 O ATOM 34 CB ALA A 3 -16.974 -0.303 7.640 1.00 0.45 C ATOM 0 HA ALA A 3 -18.438 0.524 6.316 1.00 0.43 H new ATOM 0 HB1 ALA A 3 -16.135 -0.070 6.984 1.00 0.45 H new ATOM 0 HB2 ALA A 3 -17.095 0.495 8.373 1.00 0.45 H new ATOM 0 HB3 ALA A 3 -16.781 -1.243 8.156 1.00 0.45 H new ATOM 40 N SER A 4 -18.190 -2.768 6.133 1.00 0.41 N ATOM 41 CA SER A 4 -18.117 -3.929 5.263 1.00 0.35 C ATOM 42 C SER A 4 -18.977 -3.758 4.023 1.00 0.37 C ATOM 43 O SER A 4 -18.545 -4.070 2.924 1.00 0.41 O ATOM 44 CB SER A 4 -18.578 -5.135 6.067 1.00 0.28 C ATOM 45 OG SER A 4 -19.740 -4.773 6.781 1.00 1.23 O ATOM 0 H SER A 4 -18.332 -3.021 7.111 1.00 0.41 H new ATOM 0 HA SER A 4 -17.092 -4.062 4.916 1.00 0.35 H new ATOM 0 HB2 SER A 4 -18.785 -5.976 5.405 1.00 0.28 H new ATOM 0 HB3 SER A 4 -17.795 -5.456 6.754 1.00 0.28 H new ATOM 0 HG SER A 4 -20.054 -5.539 7.305 1.00 1.23 H new ATOM 51 N ARG A 5 -20.199 -3.254 4.172 1.00 0.41 N ATOM 52 CA ARG A 5 -21.075 -3.048 3.031 1.00 0.47 C ATOM 53 C ARG A 5 -20.437 -2.073 2.050 1.00 0.47 C ATOM 54 O ARG A 5 -20.392 -2.320 0.849 1.00 0.59 O ATOM 55 CB ARG A 5 -22.433 -2.544 3.516 1.00 0.52 C ATOM 56 CG ARG A 5 -23.016 -3.501 4.562 1.00 0.94 C ATOM 57 CD ARG A 5 -24.534 -3.611 4.414 1.00 1.47 C ATOM 58 NE ARG A 5 -25.039 -4.754 5.192 1.00 1.94 N ATOM 59 CZ ARG A 5 -26.092 -5.519 4.872 1.00 2.45 C ATOM 60 NH1 ARG A 5 -26.336 -6.639 5.555 1.00 2.99 N ATOM 61 NH2 ARG A 5 -26.898 -5.171 3.868 1.00 2.92 N ATOM 0 H ARG A 5 -20.601 -2.983 5.070 1.00 0.41 H new ATOM 0 HA ARG A 5 -21.226 -3.992 2.508 1.00 0.47 H new ATOM 0 HB2 ARG A 5 -22.326 -1.548 3.945 1.00 0.52 H new ATOM 0 HB3 ARG A 5 -23.118 -2.456 2.673 1.00 0.52 H new ATOM 0 HG2 ARG A 5 -22.563 -4.486 4.452 1.00 0.94 H new ATOM 0 HG3 ARG A 5 -22.769 -3.147 5.563 1.00 0.94 H new ATOM 0 HD2 ARG A 5 -25.008 -2.691 4.756 1.00 1.47 H new ATOM 0 HD3 ARG A 5 -24.796 -3.733 3.363 1.00 1.47 H new ATOM 0 HE ARG A 5 -24.543 -4.985 6.053 1.00 1.94 H new ATOM 0 HH11 ARG A 5 -25.721 -6.913 6.321 1.00 2.99 H new ATOM 0 HH12 ARG A 5 -27.138 -7.221 5.311 1.00 2.99 H new ATOM 0 HH21 ARG A 5 -26.715 -4.318 3.339 1.00 2.92 H new ATOM 0 HH22 ARG A 5 -27.698 -5.757 3.629 1.00 2.92 H new ATOM 75 N ARG A 6 -19.924 -0.957 2.561 1.00 0.40 N ATOM 76 CA ARG A 6 -19.267 0.055 1.740 1.00 0.41 C ATOM 77 C ARG A 6 -18.024 -0.541 1.093 1.00 0.41 C ATOM 78 O ARG A 6 -17.716 -0.231 -0.045 1.00 0.56 O ATOM 79 CB ARG A 6 -18.873 1.257 2.607 1.00 0.45 C ATOM 80 CG ARG A 6 -20.054 1.825 3.408 1.00 0.56 C ATOM 81 CD ARG A 6 -20.735 2.993 2.700 1.00 1.49 C ATOM 82 NE ARG A 6 -19.887 4.195 2.770 1.00 1.52 N ATOM 83 CZ ARG A 6 -20.314 5.463 2.760 1.00 1.58 C ATOM 84 NH1 ARG A 6 -19.463 6.452 3.043 1.00 2.21 N ATOM 85 NH2 ARG A 6 -21.589 5.735 2.474 1.00 2.10 N ATOM 0 H ARG A 6 -19.952 -0.729 3.555 1.00 0.40 H new ATOM 0 HA ARG A 6 -19.955 0.388 0.963 1.00 0.41 H new ATOM 0 HB2 ARG A 6 -18.083 0.959 3.296 1.00 0.45 H new ATOM 0 HB3 ARG A 6 -18.462 2.040 1.970 1.00 0.45 H new ATOM 0 HG2 ARG A 6 -20.784 1.035 3.582 1.00 0.56 H new ATOM 0 HG3 ARG A 6 -19.701 2.153 4.386 1.00 0.56 H new ATOM 0 HD2 ARG A 6 -20.927 2.735 1.659 1.00 1.49 H new ATOM 0 HD3 ARG A 6 -21.702 3.194 3.162 1.00 1.49 H new ATOM 0 HE ARG A 6 -18.880 4.047 2.832 1.00 1.52 H new ATOM 0 HH11 ARG A 6 -18.491 6.240 3.266 1.00 2.21 H new ATOM 0 HH12 ARG A 6 -19.785 7.420 3.036 1.00 2.21 H new ATOM 0 HH21 ARG A 6 -22.237 4.976 2.263 1.00 2.10 H new ATOM 0 HH22 ARG A 6 -21.915 6.701 2.466 1.00 2.10 H new ATOM 99 N LEU A 7 -17.326 -1.416 1.805 1.00 0.39 N ATOM 100 CA LEU A 7 -16.103 -2.044 1.351 1.00 0.41 C ATOM 101 C LEU A 7 -16.427 -3.117 0.319 1.00 0.39 C ATOM 102 O LEU A 7 -15.590 -3.412 -0.519 1.00 0.52 O ATOM 103 CB LEU A 7 -15.359 -2.636 2.557 1.00 0.38 C ATOM 104 CG LEU A 7 -14.894 -1.546 3.538 1.00 0.42 C ATOM 105 CD1 LEU A 7 -14.573 -2.162 4.898 1.00 0.39 C ATOM 106 CD2 LEU A 7 -13.660 -0.799 3.051 1.00 0.52 C ATOM 0 H LEU A 7 -17.607 -1.713 2.739 1.00 0.39 H new ATOM 0 HA LEU A 7 -15.458 -1.305 0.876 1.00 0.41 H new ATOM 0 HB2 LEU A 7 -16.011 -3.338 3.077 1.00 0.38 H new ATOM 0 HB3 LEU A 7 -14.495 -3.202 2.208 1.00 0.38 H new ATOM 0 HG LEU A 7 -15.716 -0.835 3.615 1.00 0.42 H new ATOM 0 HD11 LEU A 7 -14.245 -1.380 5.583 1.00 0.39 H new ATOM 0 HD12 LEU A 7 -15.464 -2.645 5.298 1.00 0.39 H new ATOM 0 HD13 LEU A 7 -13.780 -2.901 4.785 1.00 0.39 H new ATOM 0 HD21 LEU A 7 -13.379 -0.043 3.784 1.00 0.52 H new ATOM 0 HD22 LEU A 7 -12.837 -1.502 2.921 1.00 0.52 H new ATOM 0 HD23 LEU A 7 -13.879 -0.317 2.098 1.00 0.52 H new ATOM 118 N MET A 8 -17.625 -3.701 0.353 1.00 0.33 N ATOM 119 CA MET A 8 -18.072 -4.678 -0.622 1.00 0.38 C ATOM 120 C MET A 8 -18.271 -3.990 -1.956 1.00 0.36 C ATOM 121 O MET A 8 -17.654 -4.379 -2.944 1.00 0.36 O ATOM 122 CB MET A 8 -19.335 -5.389 -0.118 1.00 0.41 C ATOM 123 CG MET A 8 -20.019 -6.217 -1.210 1.00 0.82 C ATOM 124 SD MET A 8 -21.372 -7.258 -0.605 1.00 1.74 S ATOM 125 CE MET A 8 -20.410 -8.611 0.122 1.00 2.56 C ATOM 0 H MET A 8 -18.319 -3.500 1.074 1.00 0.33 H new ATOM 0 HA MET A 8 -17.318 -5.453 -0.761 1.00 0.38 H new ATOM 0 HB2 MET A 8 -19.073 -6.040 0.716 1.00 0.41 H new ATOM 0 HB3 MET A 8 -20.037 -4.648 0.264 1.00 0.41 H new ATOM 0 HG2 MET A 8 -20.406 -5.543 -1.974 1.00 0.82 H new ATOM 0 HG3 MET A 8 -19.274 -6.850 -1.692 1.00 0.82 H new ATOM 0 HE1 MET A 8 -20.732 -9.559 -0.309 1.00 2.56 H new ATOM 0 HE2 MET A 8 -19.351 -8.458 -0.088 1.00 2.56 H new ATOM 0 HE3 MET A 8 -20.567 -8.631 1.200 1.00 2.56 H new ATOM 135 N LYS A 9 -19.121 -2.963 -1.984 1.00 0.35 N ATOM 136 CA LYS A 9 -19.327 -2.227 -3.221 1.00 0.33 C ATOM 137 C LYS A 9 -18.009 -1.641 -3.705 1.00 0.33 C ATOM 138 O LYS A 9 -17.600 -1.902 -4.823 1.00 0.46 O ATOM 139 CB LYS A 9 -20.459 -1.197 -3.105 1.00 0.42 C ATOM 140 CG LYS A 9 -20.549 -0.386 -1.812 1.00 1.70 C ATOM 141 CD LYS A 9 -21.880 -0.686 -1.115 1.00 2.01 C ATOM 142 CE LYS A 9 -23.086 -0.204 -1.935 1.00 2.68 C ATOM 143 NZ LYS A 9 -23.111 1.266 -2.101 1.00 3.62 N ATOM 0 H LYS A 9 -19.662 -2.632 -1.185 1.00 0.35 H new ATOM 0 HA LYS A 9 -19.668 -2.921 -3.989 1.00 0.33 H new ATOM 0 HB2 LYS A 9 -20.362 -0.497 -3.935 1.00 0.42 H new ATOM 0 HB3 LYS A 9 -21.405 -1.721 -3.239 1.00 0.42 H new ATOM 0 HG2 LYS A 9 -19.717 -0.636 -1.154 1.00 1.70 H new ATOM 0 HG3 LYS A 9 -20.473 0.679 -2.032 1.00 1.70 H new ATOM 0 HD2 LYS A 9 -21.965 -1.759 -0.944 1.00 2.01 H new ATOM 0 HD3 LYS A 9 -21.892 -0.205 -0.137 1.00 2.01 H new ATOM 0 HE2 LYS A 9 -23.065 -0.676 -2.917 1.00 2.68 H new ATOM 0 HE3 LYS A 9 -24.005 -0.526 -1.446 1.00 2.68 H new ATOM 0 HZ1 LYS A 9 -24.016 1.552 -2.526 1.00 3.62 H new ATOM 0 HZ2 LYS A 9 -23.005 1.722 -1.172 1.00 3.62 H new ATOM 0 HZ3 LYS A 9 -22.329 1.559 -2.722 1.00 3.62 H new ATOM 157 N GLU A 10 -17.294 -0.913 -2.856 1.00 0.30 N ATOM 158 CA GLU A 10 -16.070 -0.240 -3.262 1.00 0.35 C ATOM 159 C GLU A 10 -15.014 -1.225 -3.740 1.00 0.29 C ATOM 160 O GLU A 10 -14.315 -0.928 -4.695 1.00 0.34 O ATOM 161 CB GLU A 10 -15.538 0.642 -2.130 1.00 0.44 C ATOM 162 CG GLU A 10 -16.466 1.858 -2.007 1.00 0.81 C ATOM 163 CD GLU A 10 -16.127 2.781 -0.838 1.00 1.25 C ATOM 164 OE1 GLU A 10 -16.514 3.970 -0.937 1.00 2.36 O ATOM 165 OE2 GLU A 10 -15.538 2.302 0.156 1.00 2.73 O ATOM 0 H GLU A 10 -17.544 -0.774 -1.877 1.00 0.30 H new ATOM 0 HA GLU A 10 -16.311 0.402 -4.109 1.00 0.35 H new ATOM 0 HB2 GLU A 10 -15.511 0.086 -1.193 1.00 0.44 H new ATOM 0 HB3 GLU A 10 -14.517 0.960 -2.341 1.00 0.44 H new ATOM 0 HG2 GLU A 10 -16.423 2.431 -2.933 1.00 0.81 H new ATOM 0 HG3 GLU A 10 -17.493 1.509 -1.896 1.00 0.81 H new ATOM 172 N LEU A 11 -14.862 -2.389 -3.113 1.00 0.24 N ATOM 173 CA LEU A 11 -13.882 -3.363 -3.569 1.00 0.24 C ATOM 174 C LEU A 11 -14.254 -3.887 -4.943 1.00 0.27 C ATOM 175 O LEU A 11 -13.382 -4.035 -5.798 1.00 0.29 O ATOM 176 CB LEU A 11 -13.764 -4.512 -2.573 1.00 0.25 C ATOM 177 CG LEU A 11 -12.634 -5.474 -2.955 1.00 0.23 C ATOM 178 CD1 LEU A 11 -11.959 -5.932 -1.668 1.00 0.32 C ATOM 179 CD2 LEU A 11 -13.144 -6.683 -3.743 1.00 0.28 C ATOM 0 H LEU A 11 -15.401 -2.676 -2.296 1.00 0.24 H new ATOM 0 HA LEU A 11 -12.913 -2.869 -3.639 1.00 0.24 H new ATOM 0 HB2 LEU A 11 -13.581 -4.113 -1.575 1.00 0.25 H new ATOM 0 HB3 LEU A 11 -14.707 -5.056 -2.531 1.00 0.25 H new ATOM 0 HG LEU A 11 -11.930 -4.955 -3.605 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -11.148 -6.620 -1.907 1.00 0.32 H new ATOM 0 HD12 LEU A 11 -11.557 -5.067 -1.140 1.00 0.32 H new ATOM 0 HD13 LEU A 11 -12.688 -6.437 -1.035 1.00 0.32 H new ATOM 0 HD21 LEU A 11 -12.307 -7.335 -3.991 1.00 0.28 H new ATOM 0 HD22 LEU A 11 -13.866 -7.233 -3.139 1.00 0.28 H new ATOM 0 HD23 LEU A 11 -13.623 -6.343 -4.661 1.00 0.28 H new ATOM 191 N GLU A 12 -15.533 -4.205 -5.153 1.00 0.29 N ATOM 192 CA GLU A 12 -15.956 -4.694 -6.456 1.00 0.36 C ATOM 193 C GLU A 12 -15.674 -3.624 -7.512 1.00 0.36 C ATOM 194 O GLU A 12 -15.001 -3.903 -8.503 1.00 0.38 O ATOM 195 CB GLU A 12 -17.416 -5.162 -6.432 1.00 0.47 C ATOM 196 CG GLU A 12 -17.737 -5.789 -7.797 1.00 0.60 C ATOM 197 CD GLU A 12 -18.963 -6.702 -7.802 1.00 0.88 C ATOM 198 OE1 GLU A 12 -19.017 -7.603 -6.936 1.00 1.93 O ATOM 199 OE2 GLU A 12 -19.766 -6.559 -8.752 1.00 1.56 O ATOM 0 H GLU A 12 -16.273 -4.134 -4.455 1.00 0.29 H new ATOM 0 HA GLU A 12 -15.378 -5.579 -6.724 1.00 0.36 H new ATOM 0 HB2 GLU A 12 -17.570 -5.888 -5.634 1.00 0.47 H new ATOM 0 HB3 GLU A 12 -18.082 -4.322 -6.232 1.00 0.47 H new ATOM 0 HG2 GLU A 12 -17.891 -4.990 -8.522 1.00 0.60 H new ATOM 0 HG3 GLU A 12 -16.872 -6.361 -8.132 1.00 0.60 H new ATOM 206 N GLU A 13 -16.117 -2.391 -7.268 1.00 0.39 N ATOM 207 CA GLU A 13 -15.854 -1.225 -8.096 1.00 0.41 C ATOM 208 C GLU A 13 -14.359 -1.081 -8.379 1.00 0.38 C ATOM 209 O GLU A 13 -13.992 -0.807 -9.513 1.00 0.42 O ATOM 210 CB GLU A 13 -16.388 0.057 -7.431 1.00 0.44 C ATOM 211 CG GLU A 13 -17.808 0.441 -7.868 1.00 0.61 C ATOM 212 CD GLU A 13 -18.904 -0.389 -7.196 1.00 2.53 C ATOM 213 OE1 GLU A 13 -19.501 0.126 -6.220 1.00 3.50 O ATOM 214 OE2 GLU A 13 -19.159 -1.505 -7.698 1.00 3.66 O ATOM 0 H GLU A 13 -16.692 -2.173 -6.454 1.00 0.39 H new ATOM 0 HA GLU A 13 -16.376 -1.370 -9.042 1.00 0.41 H new ATOM 0 HB2 GLU A 13 -16.375 -0.074 -6.349 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -15.713 0.881 -7.660 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -17.975 1.495 -7.645 1.00 0.61 H new ATOM 0 HG3 GLU A 13 -17.889 0.327 -8.949 1.00 0.61 H new ATOM 221 N ILE A 14 -13.492 -1.247 -7.376 1.00 0.32 N ATOM 222 CA ILE A 14 -12.047 -1.102 -7.522 1.00 0.30 C ATOM 223 C ILE A 14 -11.560 -2.116 -8.552 1.00 0.29 C ATOM 224 O ILE A 14 -10.920 -1.749 -9.538 1.00 0.32 O ATOM 225 CB ILE A 14 -11.335 -1.241 -6.154 1.00 0.25 C ATOM 226 CG1 ILE A 14 -11.446 0.084 -5.375 1.00 0.28 C ATOM 227 CG2 ILE A 14 -9.834 -1.517 -6.320 1.00 0.25 C ATOM 228 CD1 ILE A 14 -10.885 -0.050 -3.955 1.00 0.26 C ATOM 0 H ILE A 14 -13.781 -1.489 -6.428 1.00 0.32 H new ATOM 0 HA ILE A 14 -11.800 -0.103 -7.882 1.00 0.30 H new ATOM 0 HB ILE A 14 -11.814 -2.069 -5.631 1.00 0.25 H new ATOM 0 HG12 ILE A 14 -10.906 0.867 -5.908 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -12.490 0.393 -5.327 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -9.370 -1.608 -5.338 1.00 0.25 H new ATOM 0 HG22 ILE A 14 -9.694 -2.445 -6.875 1.00 0.25 H new ATOM 0 HG23 ILE A 14 -9.371 -0.695 -6.865 1.00 0.25 H new ATOM 0 HD11 ILE A 14 -10.980 0.903 -3.435 1.00 0.26 H new ATOM 0 HD12 ILE A 14 -11.442 -0.815 -3.414 1.00 0.26 H new ATOM 0 HD13 ILE A 14 -9.834 -0.334 -4.004 1.00 0.26 H new ATOM 240 N ARG A 15 -11.853 -3.400 -8.337 1.00 0.28 N ATOM 241 CA ARG A 15 -11.409 -4.451 -9.247 1.00 0.31 C ATOM 242 C ARG A 15 -11.860 -4.128 -10.666 1.00 0.36 C ATOM 243 O ARG A 15 -11.049 -4.155 -11.593 1.00 0.38 O ATOM 244 CB ARG A 15 -11.945 -5.818 -8.794 1.00 0.36 C ATOM 245 CG ARG A 15 -10.784 -6.678 -8.296 1.00 0.83 C ATOM 246 CD ARG A 15 -11.301 -8.017 -7.772 1.00 0.78 C ATOM 247 NE ARG A 15 -11.619 -8.965 -8.851 1.00 0.96 N ATOM 248 CZ ARG A 15 -12.211 -10.152 -8.655 1.00 1.21 C ATOM 249 NH1 ARG A 15 -12.447 -10.964 -9.687 1.00 1.81 N ATOM 250 NH2 ARG A 15 -12.565 -10.526 -7.425 1.00 1.68 N ATOM 0 H ARG A 15 -12.396 -3.734 -7.541 1.00 0.28 H new ATOM 0 HA ARG A 15 -10.320 -4.500 -9.232 1.00 0.31 H new ATOM 0 HB2 ARG A 15 -12.682 -5.688 -8.001 1.00 0.36 H new ATOM 0 HB3 ARG A 15 -12.451 -6.315 -9.621 1.00 0.36 H new ATOM 0 HG2 ARG A 15 -10.074 -6.847 -9.106 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -10.247 -6.153 -7.506 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -10.552 -8.459 -7.115 1.00 0.78 H new ATOM 0 HD3 ARG A 15 -12.193 -7.847 -7.169 1.00 0.78 H new ATOM 0 HE ARG A 15 -11.374 -8.704 -9.806 1.00 0.96 H new ATOM 0 HH11 ARG A 15 -12.177 -10.683 -10.629 1.00 1.81 H new ATOM 0 HH12 ARG A 15 -12.898 -11.866 -9.533 1.00 1.81 H new ATOM 0 HH21 ARG A 15 -12.385 -9.909 -6.633 1.00 1.68 H new ATOM 0 HH22 ARG A 15 -13.015 -11.429 -7.276 1.00 1.68 H new ATOM 264 N LYS A 16 -13.151 -3.823 -10.821 1.00 0.40 N ATOM 265 CA LYS A 16 -13.758 -3.493 -12.103 1.00 0.46 C ATOM 266 C LYS A 16 -13.099 -2.256 -12.717 1.00 0.47 C ATOM 267 O LYS A 16 -13.002 -2.167 -13.937 1.00 0.52 O ATOM 268 CB LYS A 16 -15.270 -3.244 -11.951 1.00 0.48 C ATOM 269 CG LYS A 16 -16.160 -4.453 -12.276 1.00 0.65 C ATOM 270 CD LYS A 16 -15.960 -5.646 -11.332 1.00 1.03 C ATOM 271 CE LYS A 16 -17.275 -6.407 -11.105 1.00 1.58 C ATOM 272 NZ LYS A 16 -17.817 -7.002 -12.343 1.00 1.96 N ATOM 0 H LYS A 16 -13.811 -3.799 -10.043 1.00 0.40 H new ATOM 0 HA LYS A 16 -13.604 -4.345 -12.765 1.00 0.46 H new ATOM 0 HB2 LYS A 16 -15.470 -2.928 -10.927 1.00 0.48 H new ATOM 0 HB3 LYS A 16 -15.554 -2.417 -12.601 1.00 0.48 H new ATOM 0 HG2 LYS A 16 -17.204 -4.143 -12.238 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -15.960 -4.774 -13.298 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -15.214 -6.322 -11.750 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -15.571 -5.295 -10.376 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -17.110 -7.196 -10.371 1.00 1.58 H new ATOM 0 HE3 LYS A 16 -18.014 -5.727 -10.681 1.00 1.58 H new ATOM 0 HZ1 LYS A 16 -18.685 -7.530 -12.123 1.00 1.96 H new ATOM 0 HZ2 LYS A 16 -18.034 -6.247 -13.025 1.00 1.96 H new ATOM 0 HZ3 LYS A 16 -17.114 -7.648 -12.755 1.00 1.96 H new ATOM 286 N CYS A 17 -12.667 -1.297 -11.895 1.00 0.45 N ATOM 287 CA CYS A 17 -12.098 -0.035 -12.348 1.00 0.47 C ATOM 288 C CYS A 17 -10.815 -0.313 -13.120 1.00 0.41 C ATOM 289 O CYS A 17 -10.459 0.437 -14.026 1.00 0.43 O ATOM 290 CB CYS A 17 -11.811 0.876 -11.146 1.00 0.48 C ATOM 291 SG CYS A 17 -11.401 2.551 -11.710 1.00 0.80 S ATOM 0 H CYS A 17 -12.705 -1.381 -10.879 1.00 0.45 H new ATOM 0 HA CYS A 17 -12.809 0.472 -13.001 1.00 0.47 H new ATOM 0 HB2 CYS A 17 -12.681 0.909 -10.490 1.00 0.48 H new ATOM 0 HB3 CYS A 17 -10.986 0.469 -10.562 1.00 0.48 H new ATOM 0 HG CYS A 17 -10.783 2.485 -12.852 1.00 0.80 H new ATOM 297 N GLY A 18 -10.113 -1.384 -12.751 1.00 0.38 N ATOM 298 CA GLY A 18 -8.974 -1.865 -13.497 1.00 0.33 C ATOM 299 C GLY A 18 -7.874 -2.212 -12.521 1.00 0.26 C ATOM 300 O GLY A 18 -6.979 -1.402 -12.296 1.00 0.27 O ATOM 0 H GLY A 18 -10.327 -1.937 -11.921 1.00 0.38 H new ATOM 0 HA2 GLY A 18 -9.249 -2.741 -14.085 1.00 0.33 H new ATOM 0 HA3 GLY A 18 -8.632 -1.104 -14.199 1.00 0.33 H new ATOM 304 N MET A 19 -7.938 -3.413 -11.941 1.00 0.26 N ATOM 305 CA MET A 19 -6.860 -3.924 -11.107 1.00 0.24 C ATOM 306 C MET A 19 -5.555 -4.026 -11.893 1.00 0.25 C ATOM 307 O MET A 19 -5.252 -5.057 -12.485 1.00 0.30 O ATOM 308 CB MET A 19 -7.233 -5.264 -10.470 1.00 0.35 C ATOM 309 CG MET A 19 -7.868 -6.299 -11.399 1.00 0.66 C ATOM 310 SD MET A 19 -7.971 -7.937 -10.626 1.00 1.36 S ATOM 311 CE MET A 19 -8.468 -8.909 -12.067 1.00 1.80 C ATOM 0 H MET A 19 -8.730 -4.048 -12.037 1.00 0.26 H new ATOM 0 HA MET A 19 -6.704 -3.211 -10.298 1.00 0.24 H new ATOM 0 HB2 MET A 19 -6.333 -5.700 -10.036 1.00 0.35 H new ATOM 0 HB3 MET A 19 -7.923 -5.073 -9.648 1.00 0.35 H new ATOM 0 HG2 MET A 19 -8.868 -5.968 -11.681 1.00 0.66 H new ATOM 0 HG3 MET A 19 -7.285 -6.368 -12.317 1.00 0.66 H new ATOM 0 HE1 MET A 19 -8.581 -9.954 -11.779 1.00 1.80 H new ATOM 0 HE2 MET A 19 -9.417 -8.533 -12.450 1.00 1.80 H new ATOM 0 HE3 MET A 19 -7.706 -8.826 -12.842 1.00 1.80 H new ATOM 321 N LYS A 20 -4.789 -2.939 -11.923 1.00 0.24 N ATOM 322 CA LYS A 20 -3.491 -2.861 -12.574 1.00 0.26 C ATOM 323 C LYS A 20 -2.413 -2.792 -11.514 1.00 0.25 C ATOM 324 O LYS A 20 -1.798 -3.800 -11.183 1.00 0.35 O ATOM 325 CB LYS A 20 -3.497 -1.685 -13.559 1.00 0.32 C ATOM 326 CG LYS A 20 -3.346 -2.192 -14.992 1.00 1.09 C ATOM 327 CD LYS A 20 -3.927 -1.151 -15.950 1.00 1.57 C ATOM 328 CE LYS A 20 -2.965 -0.893 -17.115 1.00 1.63 C ATOM 329 NZ LYS A 20 -3.408 0.244 -17.951 1.00 2.48 N ATOM 0 H LYS A 20 -5.066 -2.063 -11.480 1.00 0.24 H new ATOM 0 HA LYS A 20 -3.275 -3.750 -13.167 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -4.427 -1.124 -13.461 1.00 0.32 H new ATOM 0 HB3 LYS A 20 -2.684 -0.999 -13.321 1.00 0.32 H new ATOM 0 HG2 LYS A 20 -2.295 -2.369 -15.220 1.00 1.09 H new ATOM 0 HG3 LYS A 20 -3.863 -3.144 -15.111 1.00 1.09 H new ATOM 0 HD2 LYS A 20 -4.887 -1.498 -16.334 1.00 1.57 H new ATOM 0 HD3 LYS A 20 -4.115 -0.221 -15.414 1.00 1.57 H new ATOM 0 HE2 LYS A 20 -1.968 -0.690 -16.725 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -2.891 -1.790 -17.730 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -2.732 0.387 -18.728 1.00 2.48 H new ATOM 0 HZ2 LYS A 20 -4.349 0.040 -18.344 1.00 2.48 H new ATOM 0 HZ3 LYS A 20 -3.455 1.105 -17.370 1.00 2.48 H new ATOM 343 N ASN A 21 -2.234 -1.601 -10.942 1.00 0.26 N ATOM 344 CA ASN A 21 -1.277 -1.364 -9.875 1.00 0.24 C ATOM 345 C ASN A 21 -1.722 -1.986 -8.563 1.00 0.19 C ATOM 346 O ASN A 21 -0.960 -2.009 -7.605 1.00 0.21 O ATOM 347 CB ASN A 21 -1.119 0.132 -9.643 1.00 0.30 C ATOM 348 CG ASN A 21 -0.365 0.794 -10.779 1.00 0.47 C ATOM 349 OD1 ASN A 21 -0.955 1.555 -11.536 1.00 1.87 O ATOM 350 ND2 ASN A 21 0.911 0.483 -10.928 1.00 1.52 N ATOM 0 H ASN A 21 -2.758 -0.769 -11.213 1.00 0.26 H new ATOM 0 HA ASN A 21 -0.337 -1.819 -10.188 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -2.102 0.591 -9.541 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -0.589 0.302 -8.706 1.00 0.30 H new ATOM 0 HD21 ASN A 21 1.446 0.882 -11.699 1.00 1.52 H new ATOM 0 HD22 ASN A 21 1.360 -0.156 -10.272 1.00 1.52 H new ATOM 357 N PHE A 22 -2.957 -2.460 -8.487 1.00 0.24 N ATOM 358 CA PHE A 22 -3.514 -3.089 -7.316 1.00 0.22 C ATOM 359 C PHE A 22 -4.158 -4.353 -7.843 1.00 0.26 C ATOM 360 O PHE A 22 -5.068 -4.275 -8.661 1.00 0.43 O ATOM 361 CB PHE A 22 -4.500 -2.126 -6.644 1.00 0.20 C ATOM 362 CG PHE A 22 -5.486 -1.449 -7.580 1.00 0.20 C ATOM 363 CD1 PHE A 22 -6.744 -2.025 -7.832 1.00 0.17 C ATOM 364 CD2 PHE A 22 -5.120 -0.258 -8.236 1.00 0.27 C ATOM 365 CE1 PHE A 22 -7.616 -1.424 -8.756 1.00 0.21 C ATOM 366 CE2 PHE A 22 -5.997 0.345 -9.154 1.00 0.31 C ATOM 367 CZ PHE A 22 -7.247 -0.242 -9.416 1.00 0.27 C ATOM 0 H PHE A 22 -3.613 -2.412 -9.267 1.00 0.24 H new ATOM 0 HA PHE A 22 -2.785 -3.334 -6.544 1.00 0.22 H new ATOM 0 HB2 PHE A 22 -5.061 -2.675 -5.888 1.00 0.20 H new ATOM 0 HB3 PHE A 22 -3.932 -1.356 -6.122 1.00 0.20 H new ATOM 0 HD1 PHE A 22 -7.039 -2.927 -7.317 1.00 0.17 H new ATOM 0 HD2 PHE A 22 -4.161 0.194 -8.033 1.00 0.27 H new ATOM 0 HE1 PHE A 22 -8.576 -1.875 -8.959 1.00 0.21 H new ATOM 0 HE2 PHE A 22 -5.711 1.257 -9.657 1.00 0.31 H new ATOM 0 HZ PHE A 22 -7.922 0.216 -10.124 1.00 0.27 H new ATOM 377 N ARG A 23 -3.641 -5.517 -7.460 1.00 0.23 N ATOM 378 CA ARG A 23 -4.128 -6.802 -7.941 1.00 0.24 C ATOM 379 C ARG A 23 -4.148 -7.753 -6.757 1.00 0.22 C ATOM 380 O ARG A 23 -3.812 -7.364 -5.644 1.00 0.20 O ATOM 381 CB ARG A 23 -3.212 -7.366 -9.042 1.00 0.36 C ATOM 382 CG ARG A 23 -3.101 -6.540 -10.332 1.00 1.02 C ATOM 383 CD ARG A 23 -3.613 -7.341 -11.534 1.00 1.40 C ATOM 384 NE ARG A 23 -3.029 -6.881 -12.802 1.00 2.64 N ATOM 385 CZ ARG A 23 -3.177 -7.548 -13.955 1.00 3.12 C ATOM 386 NH1 ARG A 23 -2.518 -7.184 -15.056 1.00 4.52 N ATOM 387 NH2 ARG A 23 -3.984 -8.606 -13.988 1.00 2.67 N ATOM 0 H ARG A 23 -2.866 -5.593 -6.801 1.00 0.23 H new ATOM 0 HA ARG A 23 -5.123 -6.683 -8.370 1.00 0.24 H new ATOM 0 HB2 ARG A 23 -2.212 -7.484 -8.626 1.00 0.36 H new ATOM 0 HB3 ARG A 23 -3.568 -8.362 -9.305 1.00 0.36 H new ATOM 0 HG2 ARG A 23 -3.676 -5.619 -10.231 1.00 1.02 H new ATOM 0 HG3 ARG A 23 -2.063 -6.251 -10.497 1.00 1.02 H new ATOM 0 HD2 ARG A 23 -3.379 -8.396 -11.391 1.00 1.40 H new ATOM 0 HD3 ARG A 23 -4.699 -7.259 -11.586 1.00 1.40 H new ATOM 0 HE ARG A 23 -2.488 -6.017 -12.805 1.00 2.64 H new ATOM 0 HH11 ARG A 23 -1.886 -6.384 -15.031 1.00 4.52 H new ATOM 0 HH12 ARG A 23 -2.646 -7.706 -15.923 1.00 4.52 H new ATOM 0 HH21 ARG A 23 -4.478 -8.897 -13.144 1.00 2.67 H new ATOM 0 HH22 ARG A 23 -4.109 -9.125 -14.857 1.00 2.67 H new ATOM 401 N ASN A 24 -4.544 -9.006 -6.985 1.00 0.23 N ATOM 402 CA ASN A 24 -4.739 -9.966 -5.907 1.00 0.21 C ATOM 403 C ASN A 24 -5.627 -9.352 -4.822 1.00 0.20 C ATOM 404 O ASN A 24 -5.431 -9.620 -3.649 1.00 0.25 O ATOM 405 CB ASN A 24 -3.373 -10.404 -5.351 1.00 0.26 C ATOM 406 CG ASN A 24 -3.440 -11.727 -4.607 1.00 0.47 C ATOM 407 OD1 ASN A 24 -3.433 -11.788 -3.384 1.00 2.25 O ATOM 408 ND2 ASN A 24 -3.479 -12.829 -5.340 1.00 1.72 N ATOM 0 H ASN A 24 -4.736 -9.378 -7.915 1.00 0.23 H new ATOM 0 HA ASN A 24 -5.245 -10.854 -6.285 1.00 0.21 H new ATOM 0 HB2 ASN A 24 -2.661 -10.489 -6.172 1.00 0.26 H new ATOM 0 HB3 ASN A 24 -2.994 -9.633 -4.680 1.00 0.26 H new ATOM 0 HD21 ASN A 24 -3.504 -13.742 -4.887 1.00 1.72 H new ATOM 0 HD22 ASN A 24 -3.484 -12.764 -6.358 1.00 1.72 H new ATOM 415 N ILE A 25 -6.586 -8.503 -5.200 1.00 0.18 N ATOM 416 CA ILE A 25 -7.534 -7.952 -4.248 1.00 0.18 C ATOM 417 C ILE A 25 -8.347 -9.139 -3.741 1.00 0.19 C ATOM 418 O ILE A 25 -8.982 -9.830 -4.540 1.00 0.22 O ATOM 419 CB ILE A 25 -8.381 -6.850 -4.930 1.00 0.18 C ATOM 420 CG1 ILE A 25 -7.826 -5.464 -4.548 1.00 0.21 C ATOM 421 CG2 ILE A 25 -9.869 -6.896 -4.571 1.00 0.26 C ATOM 422 CD1 ILE A 25 -8.622 -4.313 -5.145 1.00 0.22 C ATOM 0 H ILE A 25 -6.721 -8.187 -6.160 1.00 0.18 H new ATOM 0 HA ILE A 25 -7.060 -7.457 -3.400 1.00 0.18 H new ATOM 0 HB ILE A 25 -8.306 -7.033 -6.002 1.00 0.18 H new ATOM 0 HG12 ILE A 25 -7.821 -5.369 -3.462 1.00 0.21 H new ATOM 0 HG13 ILE A 25 -6.790 -5.391 -4.879 1.00 0.21 H new ATOM 0 HG21 ILE A 25 -10.393 -6.093 -5.088 1.00 0.26 H new ATOM 0 HG22 ILE A 25 -10.287 -7.856 -4.874 1.00 0.26 H new ATOM 0 HG23 ILE A 25 -9.988 -6.772 -3.495 1.00 0.26 H new ATOM 0 HD11 ILE A 25 -8.179 -3.366 -4.837 1.00 0.22 H new ATOM 0 HD12 ILE A 25 -8.606 -4.385 -6.233 1.00 0.22 H new ATOM 0 HD13 ILE A 25 -9.653 -4.362 -4.793 1.00 0.22 H new ATOM 434 N GLN A 26 -8.317 -9.386 -2.433 1.00 0.20 N ATOM 435 CA GLN A 26 -9.109 -10.426 -1.804 1.00 0.23 C ATOM 436 C GLN A 26 -9.766 -9.829 -0.572 1.00 0.23 C ATOM 437 O GLN A 26 -9.236 -8.896 0.037 1.00 0.25 O ATOM 438 CB GLN A 26 -8.277 -11.643 -1.417 1.00 0.34 C ATOM 439 CG GLN A 26 -7.294 -11.988 -2.530 1.00 0.26 C ATOM 440 CD GLN A 26 -6.849 -13.436 -2.470 1.00 0.37 C ATOM 441 OE1 GLN A 26 -7.645 -14.352 -2.310 1.00 1.21 O ATOM 442 NE2 GLN A 26 -5.560 -13.675 -2.609 1.00 1.12 N ATOM 0 H GLN A 26 -7.735 -8.862 -1.779 1.00 0.20 H new ATOM 0 HA GLN A 26 -9.854 -10.778 -2.518 1.00 0.23 H new ATOM 0 HB2 GLN A 26 -7.735 -11.442 -0.493 1.00 0.34 H new ATOM 0 HB3 GLN A 26 -8.932 -12.493 -1.224 1.00 0.34 H new ATOM 0 HG2 GLN A 26 -7.758 -11.792 -3.497 1.00 0.26 H new ATOM 0 HG3 GLN A 26 -6.422 -11.338 -2.457 1.00 0.26 H new ATOM 0 HE21 GLN A 26 -4.909 -12.901 -2.742 1.00 1.12 H new ATOM 0 HE22 GLN A 26 -5.214 -14.634 -2.584 1.00 1.12 H new ATOM 451 N VAL A 27 -10.913 -10.385 -0.205 1.00 0.28 N ATOM 452 CA VAL A 27 -11.670 -9.954 0.946 1.00 0.32 C ATOM 453 C VAL A 27 -12.227 -11.237 1.553 1.00 0.42 C ATOM 454 O VAL A 27 -12.691 -12.105 0.813 1.00 0.56 O ATOM 455 CB VAL A 27 -12.703 -8.919 0.464 1.00 0.35 C ATOM 456 CG1 VAL A 27 -13.922 -9.519 -0.245 1.00 0.51 C ATOM 457 CG2 VAL A 27 -13.161 -8.017 1.601 1.00 0.40 C ATOM 0 H VAL A 27 -11.344 -11.159 -0.711 1.00 0.28 H new ATOM 0 HA VAL A 27 -11.109 -9.441 1.727 1.00 0.32 H new ATOM 0 HB VAL A 27 -12.171 -8.330 -0.283 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -14.596 -8.719 -0.550 1.00 0.51 H new ATOM 0 HG12 VAL A 27 -13.595 -10.073 -1.125 1.00 0.51 H new ATOM 0 HG13 VAL A 27 -14.443 -10.193 0.435 1.00 0.51 H new ATOM 0 HG21 VAL A 27 -13.890 -7.299 1.225 1.00 0.40 H new ATOM 0 HG22 VAL A 27 -13.619 -8.622 2.384 1.00 0.40 H new ATOM 0 HG23 VAL A 27 -12.303 -7.483 2.010 1.00 0.40 H new ATOM 467 N ASP A 28 -12.081 -11.420 2.864 1.00 0.40 N ATOM 468 CA ASP A 28 -12.574 -12.625 3.524 1.00 0.48 C ATOM 469 C ASP A 28 -14.102 -12.566 3.582 1.00 0.48 C ATOM 470 O ASP A 28 -14.685 -11.512 3.346 1.00 0.48 O ATOM 471 CB ASP A 28 -11.933 -12.716 4.908 1.00 0.51 C ATOM 472 CG ASP A 28 -12.175 -14.071 5.563 1.00 0.62 C ATOM 473 OD1 ASP A 28 -13.243 -14.213 6.199 1.00 1.14 O ATOM 474 OD2 ASP A 28 -11.301 -14.947 5.411 1.00 1.31 O ATOM 0 H ASP A 28 -11.627 -10.752 3.487 1.00 0.40 H new ATOM 0 HA ASP A 28 -12.304 -13.526 2.973 1.00 0.48 H new ATOM 0 HB2 ASP A 28 -10.860 -12.541 4.823 1.00 0.51 H new ATOM 0 HB3 ASP A 28 -12.335 -11.928 5.546 1.00 0.51 H new ATOM 479 N GLU A 29 -14.782 -13.675 3.866 1.00 0.55 N ATOM 480 CA GLU A 29 -16.235 -13.661 3.979 1.00 0.61 C ATOM 481 C GLU A 29 -16.632 -13.115 5.347 1.00 0.58 C ATOM 482 O GLU A 29 -17.494 -12.244 5.460 1.00 0.60 O ATOM 483 CB GLU A 29 -16.794 -15.074 3.785 1.00 0.76 C ATOM 484 CG GLU A 29 -16.633 -15.527 2.332 1.00 2.05 C ATOM 485 CD GLU A 29 -17.216 -16.925 2.130 1.00 2.24 C ATOM 486 OE1 GLU A 29 -16.433 -17.896 2.228 1.00 3.13 O ATOM 487 OE2 GLU A 29 -18.442 -17.005 1.890 1.00 2.95 O ATOM 0 H GLU A 29 -14.352 -14.587 4.021 1.00 0.55 H new ATOM 0 HA GLU A 29 -16.651 -13.018 3.203 1.00 0.61 H new ATOM 0 HB2 GLU A 29 -16.277 -15.769 4.447 1.00 0.76 H new ATOM 0 HB3 GLU A 29 -17.848 -15.094 4.062 1.00 0.76 H new ATOM 0 HG2 GLU A 29 -17.133 -14.821 1.669 1.00 2.05 H new ATOM 0 HG3 GLU A 29 -15.577 -15.526 2.061 1.00 2.05 H new ATOM 494 N ALA A 30 -16.011 -13.646 6.399 1.00 0.58 N ATOM 495 CA ALA A 30 -16.262 -13.214 7.762 1.00 0.57 C ATOM 496 C ALA A 30 -15.499 -11.920 8.011 1.00 0.47 C ATOM 497 O ALA A 30 -16.080 -10.891 8.355 1.00 0.49 O ATOM 498 CB ALA A 30 -15.820 -14.307 8.741 1.00 0.65 C ATOM 0 H ALA A 30 -15.318 -14.391 6.324 1.00 0.58 H new ATOM 0 HA ALA A 30 -17.327 -13.036 7.913 1.00 0.57 H new ATOM 0 HB1 ALA A 30 -16.010 -13.979 9.763 1.00 0.65 H new ATOM 0 HB2 ALA A 30 -16.380 -15.221 8.543 1.00 0.65 H new ATOM 0 HB3 ALA A 30 -14.755 -14.500 8.614 1.00 0.65 H new ATOM 504 N ASN A 31 -14.181 -11.957 7.827 1.00 0.42 N ATOM 505 CA ASN A 31 -13.321 -10.811 8.073 1.00 0.35 C ATOM 506 C ASN A 31 -13.269 -9.911 6.835 1.00 0.27 C ATOM 507 O ASN A 31 -12.198 -9.450 6.455 1.00 0.29 O ATOM 508 CB ASN A 31 -11.924 -11.310 8.473 1.00 0.45 C ATOM 509 CG ASN A 31 -11.093 -10.206 9.114 1.00 1.29 C ATOM 510 OD1 ASN A 31 -11.533 -9.069 9.260 1.00 2.23 O ATOM 511 ND2 ASN A 31 -9.880 -10.536 9.540 1.00 1.89 N ATOM 0 H ASN A 31 -13.682 -12.786 7.503 1.00 0.42 H new ATOM 0 HA ASN A 31 -13.722 -10.212 8.891 1.00 0.35 H new ATOM 0 HB2 ASN A 31 -12.021 -12.143 9.169 1.00 0.45 H new ATOM 0 HB3 ASN A 31 -11.407 -11.689 7.592 1.00 0.45 H new ATOM 0 HD21 ASN A 31 -9.294 -9.839 9.999 1.00 1.89 H new ATOM 0 HD22 ASN A 31 -9.534 -11.487 9.408 1.00 1.89 H new ATOM 518 N LEU A 32 -14.412 -9.660 6.188 1.00 0.25 N ATOM 519 CA LEU A 32 -14.460 -8.902 4.936 1.00 0.26 C ATOM 520 C LEU A 32 -14.050 -7.443 5.156 1.00 0.25 C ATOM 521 O LEU A 32 -13.632 -6.740 4.241 1.00 0.28 O ATOM 522 CB LEU A 32 -15.840 -9.075 4.267 1.00 0.34 C ATOM 523 CG LEU A 32 -16.882 -7.956 4.420 1.00 0.32 C ATOM 524 CD1 LEU A 32 -16.664 -6.816 3.415 1.00 0.46 C ATOM 525 CD2 LEU A 32 -18.262 -8.565 4.143 1.00 0.40 C ATOM 0 H LEU A 32 -15.325 -9.975 6.516 1.00 0.25 H new ATOM 0 HA LEU A 32 -13.726 -9.302 4.237 1.00 0.26 H new ATOM 0 HB2 LEU A 32 -15.673 -9.227 3.201 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -16.282 -9.993 4.655 1.00 0.34 H new ATOM 0 HG LEU A 32 -16.796 -7.544 5.426 1.00 0.32 H new ATOM 0 HD11 LEU A 32 -17.425 -6.050 3.563 1.00 0.46 H new ATOM 0 HD12 LEU A 32 -15.676 -6.381 3.567 1.00 0.46 H new ATOM 0 HD13 LEU A 32 -16.735 -7.207 2.400 1.00 0.46 H new ATOM 0 HD21 LEU A 32 -19.027 -7.795 4.244 1.00 0.40 H new ATOM 0 HD22 LEU A 32 -18.285 -8.969 3.131 1.00 0.40 H new ATOM 0 HD23 LEU A 32 -18.457 -9.365 4.857 1.00 0.40 H new ATOM 537 N LEU A 33 -14.158 -6.986 6.401 1.00 0.25 N ATOM 538 CA LEU A 33 -13.622 -5.716 6.847 1.00 0.27 C ATOM 539 C LEU A 33 -12.131 -5.600 6.528 1.00 0.32 C ATOM 540 O LEU A 33 -11.669 -4.538 6.117 1.00 0.67 O ATOM 541 CB LEU A 33 -13.889 -5.598 8.352 1.00 0.29 C ATOM 542 CG LEU A 33 -15.363 -5.305 8.659 1.00 0.33 C ATOM 543 CD1 LEU A 33 -15.541 -5.249 10.169 1.00 0.35 C ATOM 544 CD2 LEU A 33 -15.840 -3.964 8.100 1.00 0.43 C ATOM 0 H LEU A 33 -14.633 -7.505 7.140 1.00 0.25 H new ATOM 0 HA LEU A 33 -14.110 -4.896 6.320 1.00 0.27 H new ATOM 0 HB2 LEU A 33 -13.594 -6.524 8.845 1.00 0.29 H new ATOM 0 HB3 LEU A 33 -13.268 -4.804 8.768 1.00 0.29 H new ATOM 0 HG LEU A 33 -15.947 -6.098 8.191 1.00 0.33 H new ATOM 0 HD11 LEU A 33 -16.585 -5.041 10.405 1.00 0.35 H new ATOM 0 HD12 LEU A 33 -15.254 -6.206 10.605 1.00 0.35 H new ATOM 0 HD13 LEU A 33 -14.912 -4.460 10.580 1.00 0.35 H new ATOM 0 HD21 LEU A 33 -16.890 -3.818 8.352 1.00 0.43 H new ATOM 0 HD22 LEU A 33 -15.247 -3.158 8.533 1.00 0.43 H new ATOM 0 HD23 LEU A 33 -15.723 -3.959 7.016 1.00 0.43 H new ATOM 556 N THR A 34 -11.361 -6.671 6.716 1.00 0.22 N ATOM 557 CA THR A 34 -9.946 -6.645 6.398 1.00 0.21 C ATOM 558 C THR A 34 -9.711 -7.078 4.955 1.00 0.20 C ATOM 559 O THR A 34 -10.389 -7.946 4.410 1.00 0.22 O ATOM 560 CB THR A 34 -9.174 -7.526 7.387 1.00 0.24 C ATOM 561 OG1 THR A 34 -9.503 -7.143 8.706 1.00 0.36 O ATOM 562 CG2 THR A 34 -7.662 -7.371 7.243 1.00 0.25 C ATOM 0 H THR A 34 -11.697 -7.560 7.085 1.00 0.22 H new ATOM 0 HA THR A 34 -9.576 -5.624 6.494 1.00 0.21 H new ATOM 0 HB THR A 34 -9.451 -8.559 7.175 1.00 0.24 H new ATOM 0 HG1 THR A 34 -10.211 -7.727 9.049 1.00 0.36 H new ATOM 0 HG21 THR A 34 -7.160 -8.015 7.965 1.00 0.25 H new ATOM 0 HG22 THR A 34 -7.362 -7.654 6.234 1.00 0.25 H new ATOM 0 HG23 THR A 34 -7.383 -6.333 7.427 1.00 0.25 H new ATOM 570 N TRP A 35 -8.741 -6.418 4.329 1.00 0.17 N ATOM 571 CA TRP A 35 -8.393 -6.580 2.930 1.00 0.16 C ATOM 572 C TRP A 35 -6.981 -7.126 2.849 1.00 0.16 C ATOM 573 O TRP A 35 -6.128 -6.792 3.671 1.00 0.18 O ATOM 574 CB TRP A 35 -8.412 -5.224 2.222 1.00 0.16 C ATOM 575 CG TRP A 35 -9.736 -4.562 2.058 1.00 0.17 C ATOM 576 CD1 TRP A 35 -10.730 -4.544 2.966 1.00 0.31 C ATOM 577 CD2 TRP A 35 -10.219 -3.781 0.926 1.00 0.21 C ATOM 578 NE1 TRP A 35 -11.810 -3.872 2.466 1.00 0.32 N ATOM 579 CE2 TRP A 35 -11.563 -3.384 1.194 1.00 0.22 C ATOM 580 CE3 TRP A 35 -9.645 -3.359 -0.292 1.00 0.38 C ATOM 581 CZ2 TRP A 35 -12.309 -2.636 0.270 1.00 0.25 C ATOM 582 CZ3 TRP A 35 -10.384 -2.604 -1.220 1.00 0.43 C ATOM 583 CH2 TRP A 35 -11.718 -2.258 -0.949 1.00 0.31 C ATOM 0 H TRP A 35 -8.156 -5.731 4.805 1.00 0.17 H new ATOM 0 HA TRP A 35 -9.109 -7.253 2.458 1.00 0.16 H new ATOM 0 HB2 TRP A 35 -7.761 -4.546 2.773 1.00 0.16 H new ATOM 0 HB3 TRP A 35 -7.974 -5.353 1.232 1.00 0.16 H new ATOM 0 HD1 TRP A 35 -10.681 -4.995 3.946 1.00 0.31 H new ATOM 0 HE1 TRP A 35 -12.689 -3.746 2.968 1.00 0.32 H new ATOM 0 HE3 TRP A 35 -8.621 -3.620 -0.515 1.00 0.38 H new ATOM 0 HZ2 TRP A 35 -13.327 -2.353 0.493 1.00 0.25 H new ATOM 0 HZ3 TRP A 35 -9.924 -2.289 -2.145 1.00 0.43 H new ATOM 0 HH2 TRP A 35 -12.290 -1.702 -1.677 1.00 0.31 H new ATOM 594 N GLN A 36 -6.707 -7.918 1.820 1.00 0.18 N ATOM 595 CA GLN A 36 -5.392 -8.487 1.626 1.00 0.24 C ATOM 596 C GLN A 36 -5.168 -8.625 0.133 1.00 0.34 C ATOM 597 O GLN A 36 -6.072 -9.045 -0.585 1.00 0.49 O ATOM 598 CB GLN A 36 -5.303 -9.816 2.389 1.00 0.36 C ATOM 599 CG GLN A 36 -6.370 -10.834 1.953 1.00 0.49 C ATOM 600 CD GLN A 36 -6.542 -11.969 2.959 1.00 0.98 C ATOM 601 OE1 GLN A 36 -6.407 -11.782 4.161 1.00 2.55 O ATOM 602 NE2 GLN A 36 -6.852 -13.171 2.493 1.00 1.15 N ATOM 0 H GLN A 36 -7.387 -8.178 1.106 1.00 0.18 H new ATOM 0 HA GLN A 36 -4.600 -7.853 2.024 1.00 0.24 H new ATOM 0 HB2 GLN A 36 -4.314 -10.249 2.239 1.00 0.36 H new ATOM 0 HB3 GLN A 36 -5.408 -9.623 3.457 1.00 0.36 H new ATOM 0 HG2 GLN A 36 -7.323 -10.322 1.821 1.00 0.49 H new ATOM 0 HG3 GLN A 36 -6.095 -11.251 0.984 1.00 0.49 H new ATOM 0 HE21 GLN A 36 -6.962 -13.316 1.489 1.00 1.15 H new ATOM 0 HE22 GLN A 36 -6.980 -13.951 3.138 1.00 1.15 H new ATOM 611 N GLY A 37 -3.989 -8.231 -0.342 1.00 0.29 N ATOM 612 CA GLY A 37 -3.671 -8.339 -1.751 1.00 0.27 C ATOM 613 C GLY A 37 -2.286 -7.783 -2.000 1.00 0.21 C ATOM 614 O GLY A 37 -1.485 -7.694 -1.075 1.00 0.25 O ATOM 0 H GLY A 37 -3.244 -7.836 0.232 1.00 0.29 H new ATOM 0 HA2 GLY A 37 -3.718 -9.381 -2.066 1.00 0.27 H new ATOM 0 HA3 GLY A 37 -4.405 -7.793 -2.343 1.00 0.27 H new ATOM 618 N LEU A 38 -1.984 -7.394 -3.234 1.00 0.19 N ATOM 619 CA LEU A 38 -0.702 -6.789 -3.539 1.00 0.21 C ATOM 620 C LEU A 38 -0.919 -5.550 -4.376 1.00 0.23 C ATOM 621 O LEU A 38 -1.988 -5.320 -4.938 1.00 0.29 O ATOM 622 CB LEU A 38 0.269 -7.805 -4.176 1.00 0.21 C ATOM 623 CG LEU A 38 -0.147 -8.394 -5.539 1.00 0.22 C ATOM 624 CD1 LEU A 38 0.027 -7.422 -6.709 1.00 0.28 C ATOM 625 CD2 LEU A 38 0.715 -9.621 -5.853 1.00 0.24 C ATOM 0 H LEU A 38 -2.610 -7.488 -4.034 1.00 0.19 H new ATOM 0 HA LEU A 38 -0.215 -6.477 -2.615 1.00 0.21 H new ATOM 0 HB2 LEU A 38 1.239 -7.322 -4.295 1.00 0.21 H new ATOM 0 HB3 LEU A 38 0.408 -8.629 -3.476 1.00 0.21 H new ATOM 0 HG LEU A 38 -1.206 -8.636 -5.444 1.00 0.22 H new ATOM 0 HD11 LEU A 38 -0.286 -7.906 -7.634 1.00 0.28 H new ATOM 0 HD12 LEU A 38 -0.584 -6.535 -6.539 1.00 0.28 H new ATOM 0 HD13 LEU A 38 1.075 -7.131 -6.788 1.00 0.28 H new ATOM 0 HD21 LEU A 38 0.420 -10.036 -6.817 1.00 0.24 H new ATOM 0 HD22 LEU A 38 1.764 -9.329 -5.890 1.00 0.24 H new ATOM 0 HD23 LEU A 38 0.575 -10.372 -5.076 1.00 0.24 H new ATOM 637 N ILE A 39 0.132 -4.756 -4.476 1.00 0.19 N ATOM 638 CA ILE A 39 0.173 -3.611 -5.338 1.00 0.17 C ATOM 639 C ILE A 39 1.376 -3.845 -6.235 1.00 0.21 C ATOM 640 O ILE A 39 2.479 -4.101 -5.751 1.00 0.27 O ATOM 641 CB ILE A 39 0.172 -2.309 -4.514 1.00 0.16 C ATOM 642 CG1 ILE A 39 1.218 -2.322 -3.383 1.00 0.16 C ATOM 643 CG2 ILE A 39 -1.234 -2.121 -3.920 1.00 0.18 C ATOM 644 CD1 ILE A 39 1.139 -1.083 -2.496 1.00 0.17 C ATOM 0 H ILE A 39 0.992 -4.900 -3.946 1.00 0.19 H new ATOM 0 HA ILE A 39 -0.708 -3.487 -5.968 1.00 0.17 H new ATOM 0 HB ILE A 39 0.437 -1.484 -5.175 1.00 0.16 H new ATOM 0 HG12 ILE A 39 1.074 -3.212 -2.771 1.00 0.16 H new ATOM 0 HG13 ILE A 39 2.216 -2.391 -3.817 1.00 0.16 H new ATOM 0 HG21 ILE A 39 -1.261 -1.204 -3.331 1.00 0.18 H new ATOM 0 HG22 ILE A 39 -1.964 -2.055 -4.727 1.00 0.18 H new ATOM 0 HG23 ILE A 39 -1.475 -2.970 -3.281 1.00 0.18 H new ATOM 0 HD11 ILE A 39 1.898 -1.145 -1.716 1.00 0.17 H new ATOM 0 HD12 ILE A 39 1.311 -0.192 -3.100 1.00 0.17 H new ATOM 0 HD13 ILE A 39 0.152 -1.026 -2.038 1.00 0.17 H new ATOM 656 N VAL A 40 1.120 -3.896 -7.541 1.00 0.27 N ATOM 657 CA VAL A 40 2.127 -4.011 -8.573 1.00 0.28 C ATOM 658 C VAL A 40 2.657 -2.592 -8.777 1.00 0.36 C ATOM 659 O VAL A 40 1.899 -1.715 -9.195 1.00 0.46 O ATOM 660 CB VAL A 40 1.497 -4.565 -9.866 1.00 0.22 C ATOM 661 CG1 VAL A 40 2.577 -4.926 -10.887 1.00 0.24 C ATOM 662 CG2 VAL A 40 0.692 -5.842 -9.601 1.00 0.27 C ATOM 0 H VAL A 40 0.171 -3.856 -7.914 1.00 0.27 H new ATOM 0 HA VAL A 40 2.929 -4.697 -8.299 1.00 0.28 H new ATOM 0 HB VAL A 40 0.844 -3.779 -10.247 1.00 0.22 H new ATOM 0 HG11 VAL A 40 2.108 -5.315 -11.791 1.00 0.24 H new ATOM 0 HG12 VAL A 40 3.157 -4.037 -11.133 1.00 0.24 H new ATOM 0 HG13 VAL A 40 3.237 -5.684 -10.466 1.00 0.24 H new ATOM 0 HG21 VAL A 40 0.263 -6.202 -10.536 1.00 0.27 H new ATOM 0 HG22 VAL A 40 1.348 -6.606 -9.184 1.00 0.27 H new ATOM 0 HG23 VAL A 40 -0.109 -5.627 -8.894 1.00 0.27 H new ATOM 672 N PRO A 41 3.919 -2.323 -8.431 1.00 0.47 N ATOM 673 CA PRO A 41 4.515 -1.032 -8.706 1.00 0.55 C ATOM 674 C PRO A 41 4.689 -0.815 -10.212 1.00 0.37 C ATOM 675 O PRO A 41 4.365 -1.678 -11.023 1.00 0.42 O ATOM 676 CB PRO A 41 5.866 -1.027 -7.994 1.00 0.80 C ATOM 677 CG PRO A 41 6.037 -2.400 -7.346 1.00 0.73 C ATOM 678 CD PRO A 41 4.856 -3.241 -7.816 1.00 0.61 C ATOM 0 HA PRO A 41 3.878 -0.222 -8.351 1.00 0.55 H new ATOM 0 HB2 PRO A 41 6.673 -0.831 -8.700 1.00 0.80 H new ATOM 0 HB3 PRO A 41 5.902 -0.239 -7.242 1.00 0.80 H new ATOM 0 HG2 PRO A 41 6.982 -2.856 -7.642 1.00 0.73 H new ATOM 0 HG3 PRO A 41 6.049 -2.319 -6.259 1.00 0.73 H new ATOM 0 HD2 PRO A 41 5.179 -4.001 -8.528 1.00 0.61 H new ATOM 0 HD3 PRO A 41 4.394 -3.764 -6.979 1.00 0.61 H new ATOM 686 N ASP A 42 5.258 0.337 -10.560 1.00 0.44 N ATOM 687 CA ASP A 42 5.650 0.706 -11.915 1.00 0.38 C ATOM 688 C ASP A 42 7.049 1.314 -11.865 1.00 0.32 C ATOM 689 O ASP A 42 7.952 0.857 -12.557 1.00 0.31 O ATOM 690 CB ASP A 42 4.651 1.703 -12.523 1.00 0.58 C ATOM 691 CG ASP A 42 3.701 1.024 -13.505 1.00 0.71 C ATOM 692 OD1 ASP A 42 4.204 0.479 -14.510 1.00 1.48 O ATOM 693 OD2 ASP A 42 2.479 1.083 -13.246 1.00 1.38 O ATOM 0 H ASP A 42 5.466 1.066 -9.878 1.00 0.44 H new ATOM 0 HA ASP A 42 5.653 -0.181 -12.548 1.00 0.38 H new ATOM 0 HB2 ASP A 42 4.075 2.173 -11.726 1.00 0.58 H new ATOM 0 HB3 ASP A 42 5.195 2.497 -13.034 1.00 0.58 H new ATOM 698 N ASN A 43 7.227 2.353 -11.042 1.00 0.33 N ATOM 699 CA ASN A 43 8.499 3.059 -10.913 1.00 0.31 C ATOM 700 C ASN A 43 9.607 2.146 -10.376 1.00 0.28 C ATOM 701 O ASN A 43 10.637 1.999 -11.031 1.00 0.32 O ATOM 702 CB ASN A 43 8.341 4.328 -10.055 1.00 0.34 C ATOM 703 CG ASN A 43 8.610 5.590 -10.860 1.00 0.42 C ATOM 704 OD1 ASN A 43 9.750 6.012 -11.002 1.00 0.51 O ATOM 705 ND2 ASN A 43 7.571 6.204 -11.412 1.00 0.54 N ATOM 0 H ASN A 43 6.488 2.726 -10.446 1.00 0.33 H new ATOM 0 HA ASN A 43 8.805 3.370 -11.912 1.00 0.31 H new ATOM 0 HB2 ASN A 43 7.332 4.366 -9.645 1.00 0.34 H new ATOM 0 HB3 ASN A 43 9.027 4.283 -9.209 1.00 0.34 H new ATOM 0 HD21 ASN A 43 7.713 7.047 -11.969 1.00 0.54 H new ATOM 0 HD22 ASN A 43 6.630 5.833 -11.279 1.00 0.54 H new ATOM 712 N PRO A 44 9.474 1.564 -9.173 1.00 0.24 N ATOM 713 CA PRO A 44 10.481 0.652 -8.668 1.00 0.24 C ATOM 714 C PRO A 44 10.360 -0.697 -9.388 1.00 0.22 C ATOM 715 O PRO A 44 9.317 -1.010 -9.961 1.00 0.26 O ATOM 716 CB PRO A 44 10.208 0.543 -7.166 1.00 0.26 C ATOM 717 CG PRO A 44 8.700 0.730 -7.084 1.00 0.26 C ATOM 718 CD PRO A 44 8.386 1.701 -8.223 1.00 0.24 C ATOM 0 HA PRO A 44 11.500 0.996 -8.843 1.00 0.24 H new ATOM 0 HB2 PRO A 44 10.518 -0.423 -6.767 1.00 0.26 H new ATOM 0 HB3 PRO A 44 10.742 1.307 -6.601 1.00 0.26 H new ATOM 0 HG2 PRO A 44 8.173 -0.216 -7.209 1.00 0.26 H new ATOM 0 HG3 PRO A 44 8.400 1.137 -6.118 1.00 0.26 H new ATOM 0 HD2 PRO A 44 7.429 1.462 -8.688 1.00 0.24 H new ATOM 0 HD3 PRO A 44 8.315 2.725 -7.855 1.00 0.24 H new ATOM 726 N PRO A 45 11.416 -1.516 -9.330 1.00 0.23 N ATOM 727 CA PRO A 45 11.526 -2.797 -10.014 1.00 0.24 C ATOM 728 C PRO A 45 10.446 -3.787 -9.580 1.00 0.37 C ATOM 729 O PRO A 45 10.646 -4.597 -8.673 1.00 0.68 O ATOM 730 CB PRO A 45 12.947 -3.292 -9.754 1.00 0.27 C ATOM 731 CG PRO A 45 13.350 -2.541 -8.501 1.00 0.29 C ATOM 732 CD PRO A 45 12.650 -1.202 -8.645 1.00 0.30 C ATOM 0 HA PRO A 45 11.354 -2.690 -11.085 1.00 0.24 H new ATOM 0 HB2 PRO A 45 12.977 -4.371 -9.604 1.00 0.27 H new ATOM 0 HB3 PRO A 45 13.611 -3.068 -10.589 1.00 0.27 H new ATOM 0 HG2 PRO A 45 13.031 -3.065 -7.600 1.00 0.29 H new ATOM 0 HG3 PRO A 45 14.432 -2.423 -8.435 1.00 0.29 H new ATOM 0 HD2 PRO A 45 12.461 -0.746 -7.673 1.00 0.30 H new ATOM 0 HD3 PRO A 45 13.254 -0.497 -9.216 1.00 0.30 H new ATOM 740 N TYR A 46 9.317 -3.747 -10.290 1.00 0.32 N ATOM 741 CA TYR A 46 8.239 -4.715 -10.194 1.00 0.38 C ATOM 742 C TYR A 46 8.495 -5.905 -11.113 1.00 0.39 C ATOM 743 O TYR A 46 7.846 -6.936 -11.001 1.00 0.75 O ATOM 744 CB TYR A 46 6.910 -4.057 -10.572 1.00 0.44 C ATOM 745 CG TYR A 46 6.759 -3.732 -12.043 1.00 0.43 C ATOM 746 CD1 TYR A 46 6.176 -4.681 -12.905 1.00 1.56 C ATOM 747 CD2 TYR A 46 7.198 -2.495 -12.550 1.00 1.56 C ATOM 748 CE1 TYR A 46 6.029 -4.401 -14.273 1.00 1.68 C ATOM 749 CE2 TYR A 46 7.051 -2.207 -13.918 1.00 1.69 C ATOM 750 CZ TYR A 46 6.466 -3.157 -14.785 1.00 0.98 C ATOM 751 OH TYR A 46 6.336 -2.873 -16.111 1.00 1.32 O ATOM 0 H TYR A 46 9.128 -3.011 -10.970 1.00 0.32 H new ATOM 0 HA TYR A 46 8.192 -5.071 -9.165 1.00 0.38 H new ATOM 0 HB2 TYR A 46 6.096 -4.718 -10.275 1.00 0.44 H new ATOM 0 HB3 TYR A 46 6.800 -3.137 -9.998 1.00 0.44 H new ATOM 0 HD1 TYR A 46 5.840 -5.629 -12.512 1.00 1.56 H new ATOM 0 HD2 TYR A 46 7.647 -1.768 -11.889 1.00 1.56 H new ATOM 0 HE1 TYR A 46 5.584 -5.132 -14.932 1.00 1.68 H new ATOM 0 HE2 TYR A 46 7.386 -1.257 -14.307 1.00 1.69 H new ATOM 0 HH TYR A 46 6.686 -1.975 -16.289 1.00 1.32 H new ATOM 761 N ASP A 47 9.446 -5.821 -12.043 1.00 0.32 N ATOM 762 CA ASP A 47 9.626 -6.934 -12.970 1.00 0.34 C ATOM 763 C ASP A 47 10.242 -8.161 -12.290 1.00 0.48 C ATOM 764 O ASP A 47 10.516 -9.175 -12.925 1.00 1.17 O ATOM 765 CB ASP A 47 10.475 -6.506 -14.161 1.00 0.57 C ATOM 766 CG ASP A 47 10.238 -7.421 -15.365 1.00 1.54 C ATOM 767 OD1 ASP A 47 9.258 -8.206 -15.330 1.00 2.91 O ATOM 768 OD2 ASP A 47 11.065 -7.314 -16.296 1.00 2.35 O ATOM 0 H ASP A 47 10.078 -5.031 -12.172 1.00 0.32 H new ATOM 0 HA ASP A 47 8.635 -7.221 -13.322 1.00 0.34 H new ATOM 0 HB2 ASP A 47 10.237 -5.477 -14.430 1.00 0.57 H new ATOM 0 HB3 ASP A 47 11.530 -6.528 -13.886 1.00 0.57 H new ATOM 773 N LYS A 48 10.526 -8.072 -10.987 1.00 0.28 N ATOM 774 CA LYS A 48 11.046 -9.195 -10.218 1.00 0.28 C ATOM 775 C LYS A 48 10.020 -9.676 -9.183 1.00 0.25 C ATOM 776 O LYS A 48 10.257 -10.699 -8.549 1.00 0.31 O ATOM 777 CB LYS A 48 12.417 -8.841 -9.599 1.00 0.38 C ATOM 778 CG LYS A 48 13.547 -8.684 -10.638 1.00 0.52 C ATOM 779 CD LYS A 48 13.458 -7.378 -11.441 1.00 1.03 C ATOM 780 CE LYS A 48 14.694 -7.106 -12.300 1.00 1.21 C ATOM 781 NZ LYS A 48 14.486 -7.420 -13.732 1.00 2.37 N ATOM 0 H LYS A 48 10.401 -7.219 -10.441 1.00 0.28 H new ATOM 0 HA LYS A 48 11.216 -10.037 -10.889 1.00 0.28 H new ATOM 0 HB2 LYS A 48 12.322 -7.913 -9.036 1.00 0.38 H new ATOM 0 HB3 LYS A 48 12.696 -9.618 -8.887 1.00 0.38 H new ATOM 0 HG2 LYS A 48 14.509 -8.723 -10.127 1.00 0.52 H new ATOM 0 HG3 LYS A 48 13.518 -9.528 -11.327 1.00 0.52 H new ATOM 0 HD2 LYS A 48 12.579 -7.415 -12.084 1.00 1.03 H new ATOM 0 HD3 LYS A 48 13.314 -6.546 -10.752 1.00 1.03 H new ATOM 0 HE2 LYS A 48 14.974 -6.057 -12.201 1.00 1.21 H new ATOM 0 HE3 LYS A 48 15.529 -7.696 -11.922 1.00 1.21 H new ATOM 0 HZ1 LYS A 48 15.357 -7.216 -14.262 1.00 2.37 H new ATOM 0 HZ2 LYS A 48 14.246 -8.427 -13.835 1.00 2.37 H new ATOM 0 HZ3 LYS A 48 13.709 -6.839 -14.106 1.00 2.37 H new ATOM 795 N GLY A 49 8.886 -8.985 -8.994 1.00 0.30 N ATOM 796 CA GLY A 49 7.946 -9.268 -7.911 1.00 0.31 C ATOM 797 C GLY A 49 7.042 -8.057 -7.653 1.00 0.35 C ATOM 798 O GLY A 49 6.898 -7.202 -8.517 1.00 0.51 O ATOM 0 H GLY A 49 8.598 -8.212 -9.594 1.00 0.30 H new ATOM 0 HA2 GLY A 49 7.337 -10.135 -8.167 1.00 0.31 H new ATOM 0 HA3 GLY A 49 8.494 -9.520 -7.003 1.00 0.31 H new ATOM 802 N ALA A 50 6.413 -7.964 -6.484 1.00 0.27 N ATOM 803 CA ALA A 50 5.484 -6.890 -6.162 1.00 0.28 C ATOM 804 C ALA A 50 5.564 -6.586 -4.668 1.00 0.22 C ATOM 805 O ALA A 50 6.481 -7.041 -3.986 1.00 0.22 O ATOM 806 CB ALA A 50 4.062 -7.312 -6.554 1.00 0.35 C ATOM 0 H ALA A 50 6.536 -8.639 -5.729 1.00 0.27 H new ATOM 0 HA ALA A 50 5.746 -5.989 -6.718 1.00 0.28 H new ATOM 0 HB1 ALA A 50 3.365 -6.509 -6.314 1.00 0.35 H new ATOM 0 HB2 ALA A 50 4.025 -7.516 -7.624 1.00 0.35 H new ATOM 0 HB3 ALA A 50 3.784 -8.211 -6.003 1.00 0.35 H new ATOM 812 N PHE A 51 4.576 -5.863 -4.141 1.00 0.28 N ATOM 813 CA PHE A 51 4.507 -5.523 -2.733 1.00 0.30 C ATOM 814 C PHE A 51 3.195 -6.055 -2.196 1.00 0.23 C ATOM 815 O PHE A 51 2.137 -5.490 -2.460 1.00 0.25 O ATOM 816 CB PHE A 51 4.613 -4.005 -2.541 1.00 0.44 C ATOM 817 CG PHE A 51 6.040 -3.550 -2.333 1.00 0.52 C ATOM 818 CD1 PHE A 51 6.700 -2.724 -3.260 1.00 1.29 C ATOM 819 CD2 PHE A 51 6.736 -4.017 -1.212 1.00 2.12 C ATOM 820 CE1 PHE A 51 8.059 -2.406 -3.087 1.00 1.20 C ATOM 821 CE2 PHE A 51 8.083 -3.688 -1.031 1.00 2.68 C ATOM 822 CZ PHE A 51 8.757 -2.890 -1.968 1.00 1.66 C ATOM 0 H PHE A 51 3.798 -5.497 -4.690 1.00 0.28 H new ATOM 0 HA PHE A 51 5.338 -5.971 -2.188 1.00 0.30 H new ATOM 0 HB2 PHE A 51 4.197 -3.501 -3.413 1.00 0.44 H new ATOM 0 HB3 PHE A 51 4.010 -3.707 -1.683 1.00 0.44 H new ATOM 0 HD1 PHE A 51 6.160 -2.332 -4.109 1.00 1.29 H new ATOM 0 HD2 PHE A 51 6.231 -4.634 -0.484 1.00 2.12 H new ATOM 0 HE1 PHE A 51 8.566 -1.790 -3.815 1.00 1.20 H new ATOM 0 HE2 PHE A 51 8.610 -4.052 -0.161 1.00 2.68 H new ATOM 0 HZ PHE A 51 9.801 -2.650 -1.830 1.00 1.66 H new ATOM 832 N ARG A 52 3.241 -7.157 -1.452 1.00 0.34 N ATOM 833 CA ARG A 52 2.039 -7.613 -0.780 1.00 0.27 C ATOM 834 C ARG A 52 1.802 -6.759 0.446 1.00 0.28 C ATOM 835 O ARG A 52 2.743 -6.535 1.218 1.00 0.37 O ATOM 836 CB ARG A 52 2.151 -9.080 -0.406 1.00 0.36 C ATOM 837 CG ARG A 52 0.782 -9.615 -0.005 1.00 0.46 C ATOM 838 CD ARG A 52 0.885 -11.123 0.146 1.00 0.59 C ATOM 839 NE ARG A 52 -0.192 -11.680 0.962 1.00 0.95 N ATOM 840 CZ ARG A 52 -0.245 -12.980 1.265 1.00 1.52 C ATOM 841 NH1 ARG A 52 -1.194 -13.428 2.089 1.00 2.13 N ATOM 842 NH2 ARG A 52 0.655 -13.819 0.745 1.00 1.91 N ATOM 0 H ARG A 52 4.071 -7.731 -1.305 1.00 0.34 H new ATOM 0 HA ARG A 52 1.190 -7.513 -1.456 1.00 0.27 H new ATOM 0 HB2 ARG A 52 2.543 -9.651 -1.248 1.00 0.36 H new ATOM 0 HB3 ARG A 52 2.855 -9.202 0.417 1.00 0.36 H new ATOM 0 HG2 ARG A 52 0.456 -9.161 0.931 1.00 0.46 H new ATOM 0 HG3 ARG A 52 0.038 -9.359 -0.760 1.00 0.46 H new ATOM 0 HD2 ARG A 52 0.865 -11.586 -0.841 1.00 0.59 H new ATOM 0 HD3 ARG A 52 1.845 -11.375 0.597 1.00 0.59 H new ATOM 0 HE ARG A 52 -0.923 -11.059 1.310 1.00 0.95 H new ATOM 0 HH11 ARG A 52 -1.874 -12.779 2.484 1.00 2.13 H new ATOM 0 HH12 ARG A 52 -1.239 -14.420 2.324 1.00 2.13 H new ATOM 0 HH21 ARG A 52 1.379 -13.466 0.119 1.00 1.91 H new ATOM 0 HH22 ARG A 52 0.618 -14.812 0.974 1.00 1.91 H new ATOM 856 N ILE A 53 0.554 -6.328 0.630 1.00 0.25 N ATOM 857 CA ILE A 53 0.129 -5.488 1.727 1.00 0.26 C ATOM 858 C ILE A 53 -1.212 -5.984 2.261 1.00 0.27 C ATOM 859 O ILE A 53 -1.929 -6.738 1.603 1.00 0.34 O ATOM 860 CB ILE A 53 0.097 -4.006 1.296 1.00 0.24 C ATOM 861 CG1 ILE A 53 -0.981 -3.655 0.255 1.00 0.23 C ATOM 862 CG2 ILE A 53 1.459 -3.611 0.715 1.00 0.23 C ATOM 863 CD1 ILE A 53 -1.321 -2.163 0.331 1.00 0.24 C ATOM 0 H ILE A 53 -0.206 -6.567 -0.006 1.00 0.25 H new ATOM 0 HA ILE A 53 0.848 -5.552 2.544 1.00 0.26 H new ATOM 0 HB ILE A 53 -0.147 -3.452 2.203 1.00 0.24 H new ATOM 0 HG12 ILE A 53 -0.627 -3.905 -0.745 1.00 0.23 H new ATOM 0 HG13 ILE A 53 -1.877 -4.250 0.433 1.00 0.23 H new ATOM 0 HG21 ILE A 53 1.435 -2.565 0.411 1.00 0.23 H new ATOM 0 HG22 ILE A 53 2.232 -3.752 1.471 1.00 0.23 H new ATOM 0 HG23 ILE A 53 1.680 -4.235 -0.151 1.00 0.23 H new ATOM 0 HD11 ILE A 53 -2.085 -1.926 -0.410 1.00 0.24 H new ATOM 0 HD12 ILE A 53 -1.695 -1.925 1.327 1.00 0.24 H new ATOM 0 HD13 ILE A 53 -0.425 -1.575 0.130 1.00 0.24 H new ATOM 875 N GLU A 54 -1.547 -5.555 3.471 1.00 0.24 N ATOM 876 CA GLU A 54 -2.770 -5.920 4.158 1.00 0.22 C ATOM 877 C GLU A 54 -3.308 -4.616 4.730 1.00 0.23 C ATOM 878 O GLU A 54 -2.529 -3.828 5.272 1.00 0.30 O ATOM 879 CB GLU A 54 -2.395 -6.927 5.247 1.00 0.24 C ATOM 880 CG GLU A 54 -3.561 -7.404 6.120 1.00 0.36 C ATOM 881 CD GLU A 54 -2.999 -8.008 7.408 1.00 0.79 C ATOM 882 OE1 GLU A 54 -2.017 -8.781 7.302 1.00 1.12 O ATOM 883 OE2 GLU A 54 -3.456 -7.595 8.495 1.00 1.77 O ATOM 0 H GLU A 54 -0.955 -4.926 4.013 1.00 0.24 H new ATOM 0 HA GLU A 54 -3.527 -6.384 3.526 1.00 0.22 H new ATOM 0 HB2 GLU A 54 -1.936 -7.795 4.775 1.00 0.24 H new ATOM 0 HB3 GLU A 54 -1.639 -6.478 5.891 1.00 0.24 H new ATOM 0 HG2 GLU A 54 -4.224 -6.571 6.352 1.00 0.36 H new ATOM 0 HG3 GLU A 54 -4.155 -8.144 5.584 1.00 0.36 H new ATOM 890 N ILE A 55 -4.607 -4.365 4.570 1.00 0.23 N ATOM 891 CA ILE A 55 -5.241 -3.133 5.007 1.00 0.23 C ATOM 892 C ILE A 55 -6.314 -3.543 5.995 1.00 0.25 C ATOM 893 O ILE A 55 -7.111 -4.430 5.716 1.00 0.53 O ATOM 894 CB ILE A 55 -5.863 -2.349 3.837 1.00 0.23 C ATOM 895 CG1 ILE A 55 -4.989 -2.342 2.564 1.00 0.25 C ATOM 896 CG2 ILE A 55 -6.140 -0.911 4.296 1.00 0.31 C ATOM 897 CD1 ILE A 55 -5.531 -3.309 1.512 1.00 0.66 C ATOM 0 H ILE A 55 -5.251 -5.021 4.128 1.00 0.23 H new ATOM 0 HA ILE A 55 -4.503 -2.467 5.454 1.00 0.23 H new ATOM 0 HB ILE A 55 -6.788 -2.856 3.562 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -4.953 -1.334 2.150 1.00 0.25 H new ATOM 0 HG13 ILE A 55 -3.966 -2.617 2.821 1.00 0.25 H new ATOM 0 HG21 ILE A 55 -6.581 -0.346 3.475 1.00 0.31 H new ATOM 0 HG22 ILE A 55 -6.831 -0.925 5.139 1.00 0.31 H new ATOM 0 HG23 ILE A 55 -5.205 -0.440 4.600 1.00 0.31 H new ATOM 0 HD11 ILE A 55 -4.893 -3.280 0.628 1.00 0.66 H new ATOM 0 HD12 ILE A 55 -5.542 -4.320 1.919 1.00 0.66 H new ATOM 0 HD13 ILE A 55 -6.545 -3.017 1.237 1.00 0.66 H new ATOM 909 N ASN A 56 -6.350 -2.907 7.156 1.00 0.30 N ATOM 910 CA ASN A 56 -7.235 -3.286 8.228 1.00 0.26 C ATOM 911 C ASN A 56 -8.298 -2.202 8.292 1.00 0.25 C ATOM 912 O ASN A 56 -8.004 -1.083 8.713 1.00 0.28 O ATOM 913 CB ASN A 56 -6.427 -3.384 9.534 1.00 0.33 C ATOM 914 CG ASN A 56 -5.157 -4.217 9.378 1.00 0.46 C ATOM 915 OD1 ASN A 56 -4.053 -3.679 9.398 1.00 1.36 O ATOM 916 ND2 ASN A 56 -5.303 -5.522 9.202 1.00 0.87 N ATOM 0 H ASN A 56 -5.757 -2.107 7.375 1.00 0.30 H new ATOM 0 HA ASN A 56 -7.703 -4.258 8.072 1.00 0.26 H new ATOM 0 HB2 ASN A 56 -6.161 -2.381 9.868 1.00 0.33 H new ATOM 0 HB3 ASN A 56 -7.052 -3.823 10.311 1.00 0.33 H new ATOM 0 HD21 ASN A 56 -4.482 -6.115 9.077 1.00 0.87 H new ATOM 0 HD22 ASN A 56 -6.236 -5.934 9.191 1.00 0.87 H new ATOM 923 N PHE A 57 -9.512 -2.520 7.836 1.00 0.25 N ATOM 924 CA PHE A 57 -10.588 -1.552 7.669 1.00 0.30 C ATOM 925 C PHE A 57 -11.732 -1.947 8.605 1.00 0.31 C ATOM 926 O PHE A 57 -12.668 -2.623 8.195 1.00 0.38 O ATOM 927 CB PHE A 57 -11.003 -1.507 6.184 1.00 0.40 C ATOM 928 CG PHE A 57 -10.793 -0.169 5.515 1.00 0.54 C ATOM 929 CD1 PHE A 57 -11.815 0.797 5.516 1.00 1.49 C ATOM 930 CD2 PHE A 57 -9.587 0.095 4.850 1.00 2.25 C ATOM 931 CE1 PHE A 57 -11.638 2.015 4.836 1.00 1.40 C ATOM 932 CE2 PHE A 57 -9.399 1.318 4.187 1.00 2.47 C ATOM 933 CZ PHE A 57 -10.428 2.277 4.171 1.00 1.05 C ATOM 0 H PHE A 57 -9.774 -3.469 7.570 1.00 0.25 H new ATOM 0 HA PHE A 57 -10.274 -0.543 7.936 1.00 0.30 H new ATOM 0 HB2 PHE A 57 -10.439 -2.264 5.639 1.00 0.40 H new ATOM 0 HB3 PHE A 57 -12.056 -1.777 6.106 1.00 0.40 H new ATOM 0 HD1 PHE A 57 -12.739 0.603 6.041 1.00 1.49 H new ATOM 0 HD2 PHE A 57 -8.800 -0.645 4.848 1.00 2.25 H new ATOM 0 HE1 PHE A 57 -12.431 2.748 4.825 1.00 1.40 H new ATOM 0 HE2 PHE A 57 -8.463 1.523 3.689 1.00 2.47 H new ATOM 0 HZ PHE A 57 -10.289 3.212 3.649 1.00 1.05 H new ATOM 943 N PRO A 58 -11.660 -1.581 9.891 1.00 0.31 N ATOM 944 CA PRO A 58 -12.605 -2.072 10.879 1.00 0.34 C ATOM 945 C PRO A 58 -13.999 -1.491 10.642 1.00 0.31 C ATOM 946 O PRO A 58 -14.191 -0.584 9.832 1.00 0.30 O ATOM 947 CB PRO A 58 -12.017 -1.658 12.233 1.00 0.37 C ATOM 948 CG PRO A 58 -11.204 -0.409 11.894 1.00 0.35 C ATOM 949 CD PRO A 58 -10.656 -0.729 10.505 1.00 0.32 C ATOM 0 HA PRO A 58 -12.739 -3.153 10.827 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.798 -1.444 12.963 1.00 0.37 H new ATOM 0 HB3 PRO A 58 -11.391 -2.443 12.657 1.00 0.37 H new ATOM 0 HG2 PRO A 58 -11.824 0.488 11.888 1.00 0.35 H new ATOM 0 HG3 PRO A 58 -10.404 -0.239 12.615 1.00 0.35 H new ATOM 0 HD2 PRO A 58 -10.500 0.180 9.923 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -9.693 -1.236 10.568 1.00 0.32 H new ATOM 957 N ALA A 59 -14.990 -1.983 11.392 1.00 0.33 N ATOM 958 CA ALA A 59 -16.340 -1.440 11.326 1.00 0.34 C ATOM 959 C ALA A 59 -16.332 0.052 11.624 1.00 0.32 C ATOM 960 O ALA A 59 -17.105 0.812 11.048 1.00 0.35 O ATOM 961 CB ALA A 59 -17.268 -2.178 12.283 1.00 0.40 C ATOM 0 H ALA A 59 -14.878 -2.755 12.049 1.00 0.33 H new ATOM 0 HA ALA A 59 -16.716 -1.584 10.313 1.00 0.34 H new ATOM 0 HB1 ALA A 59 -18.270 -1.755 12.216 1.00 0.40 H new ATOM 0 HB2 ALA A 59 -17.301 -3.234 12.016 1.00 0.40 H new ATOM 0 HB3 ALA A 59 -16.897 -2.073 13.303 1.00 0.40 H new ATOM 967 N GLU A 60 -15.421 0.463 12.500 1.00 0.30 N ATOM 968 CA GLU A 60 -15.193 1.844 12.864 1.00 0.30 C ATOM 969 C GLU A 60 -14.415 2.616 11.797 1.00 0.23 C ATOM 970 O GLU A 60 -13.813 3.629 12.125 1.00 0.23 O ATOM 971 CB GLU A 60 -14.397 1.858 14.167 1.00 0.37 C ATOM 972 CG GLU A 60 -15.158 1.195 15.312 1.00 0.55 C ATOM 973 CD GLU A 60 -14.350 1.414 16.590 1.00 0.72 C ATOM 974 OE1 GLU A 60 -14.366 2.563 17.091 1.00 1.99 O ATOM 975 OE2 GLU A 60 -13.587 0.500 16.962 1.00 1.43 O ATOM 0 H GLU A 60 -14.803 -0.184 12.989 1.00 0.30 H new ATOM 0 HA GLU A 60 -16.161 2.333 12.970 1.00 0.30 H new ATOM 0 HB2 GLU A 60 -13.448 1.343 14.017 1.00 0.37 H new ATOM 0 HB3 GLU A 60 -14.162 2.888 14.437 1.00 0.37 H new ATOM 0 HG2 GLU A 60 -16.154 1.626 15.410 1.00 0.55 H new ATOM 0 HG3 GLU A 60 -15.289 0.130 15.119 1.00 0.55 H new ATOM 982 N TYR A 61 -14.437 2.213 10.525 1.00 0.24 N ATOM 983 CA TYR A 61 -13.832 3.004 9.451 1.00 0.28 C ATOM 984 C TYR A 61 -14.250 4.485 9.510 1.00 0.28 C ATOM 985 O TYR A 61 -13.389 5.363 9.487 1.00 0.28 O ATOM 986 CB TYR A 61 -14.085 2.346 8.080 1.00 0.40 C ATOM 987 CG TYR A 61 -14.535 3.267 6.952 1.00 0.46 C ATOM 988 CD1 TYR A 61 -15.777 3.061 6.323 1.00 1.52 C ATOM 989 CD2 TYR A 61 -13.738 4.361 6.565 1.00 1.87 C ATOM 990 CE1 TYR A 61 -16.242 3.960 5.346 1.00 1.49 C ATOM 991 CE2 TYR A 61 -14.206 5.275 5.606 1.00 1.95 C ATOM 992 CZ TYR A 61 -15.465 5.083 4.991 1.00 0.64 C ATOM 993 OH TYR A 61 -15.948 5.980 4.084 1.00 0.75 O ATOM 0 H TYR A 61 -14.868 1.343 10.213 1.00 0.24 H new ATOM 0 HA TYR A 61 -12.752 3.011 9.601 1.00 0.28 H new ATOM 0 HB2 TYR A 61 -13.167 1.848 7.767 1.00 0.40 H new ATOM 0 HB3 TYR A 61 -14.841 1.571 8.209 1.00 0.40 H new ATOM 0 HD1 TYR A 61 -16.378 2.205 6.593 1.00 1.52 H new ATOM 0 HD2 TYR A 61 -12.762 4.498 7.007 1.00 1.87 H new ATOM 0 HE1 TYR A 61 -17.195 3.790 4.867 1.00 1.49 H new ATOM 0 HE2 TYR A 61 -13.601 6.128 5.337 1.00 1.95 H new ATOM 0 HH TYR A 61 -15.660 6.883 4.332 1.00 0.75 H new ATOM 1003 N PRO A 62 -15.544 4.826 9.590 1.00 0.34 N ATOM 1004 CA PRO A 62 -15.928 6.225 9.623 1.00 0.38 C ATOM 1005 C PRO A 62 -15.589 6.879 10.972 1.00 0.38 C ATOM 1006 O PRO A 62 -15.670 8.096 11.091 1.00 0.46 O ATOM 1007 CB PRO A 62 -17.424 6.236 9.306 1.00 0.44 C ATOM 1008 CG PRO A 62 -17.914 4.879 9.811 1.00 0.45 C ATOM 1009 CD PRO A 62 -16.709 3.955 9.637 1.00 0.40 C ATOM 0 HA PRO A 62 -15.375 6.821 8.897 1.00 0.38 H new ATOM 0 HB2 PRO A 62 -17.933 7.058 9.809 1.00 0.44 H new ATOM 0 HB3 PRO A 62 -17.606 6.355 8.238 1.00 0.44 H new ATOM 0 HG2 PRO A 62 -18.228 4.932 10.854 1.00 0.45 H new ATOM 0 HG3 PRO A 62 -18.772 4.527 9.238 1.00 0.45 H new ATOM 0 HD2 PRO A 62 -16.636 3.248 10.464 1.00 0.40 H new ATOM 0 HD3 PRO A 62 -16.795 3.368 8.723 1.00 0.40 H new ATOM 1017 N PHE A 63 -15.210 6.090 11.982 1.00 0.31 N ATOM 1018 CA PHE A 63 -14.850 6.521 13.329 1.00 0.30 C ATOM 1019 C PHE A 63 -13.346 6.710 13.525 1.00 0.28 C ATOM 1020 O PHE A 63 -12.949 7.422 14.443 1.00 0.38 O ATOM 1021 CB PHE A 63 -15.348 5.482 14.342 1.00 0.34 C ATOM 1022 CG PHE A 63 -16.484 5.963 15.215 1.00 0.36 C ATOM 1023 CD1 PHE A 63 -16.210 6.475 16.495 1.00 1.86 C ATOM 1024 CD2 PHE A 63 -17.811 5.890 14.755 1.00 1.67 C ATOM 1025 CE1 PHE A 63 -17.263 6.903 17.322 1.00 2.05 C ATOM 1026 CE2 PHE A 63 -18.864 6.320 15.582 1.00 1.58 C ATOM 1027 CZ PHE A 63 -18.590 6.823 16.867 1.00 0.77 C ATOM 0 H PHE A 63 -15.144 5.078 11.872 1.00 0.31 H new ATOM 0 HA PHE A 63 -15.322 7.491 13.483 1.00 0.30 H new ATOM 0 HB2 PHE A 63 -15.671 4.591 13.803 1.00 0.34 H new ATOM 0 HB3 PHE A 63 -14.515 5.185 14.980 1.00 0.34 H new ATOM 0 HD1 PHE A 63 -15.190 6.540 16.843 1.00 1.86 H new ATOM 0 HD2 PHE A 63 -18.021 5.504 13.768 1.00 1.67 H new ATOM 0 HE1 PHE A 63 -17.052 7.293 18.307 1.00 2.05 H new ATOM 0 HE2 PHE A 63 -19.884 6.264 15.230 1.00 1.58 H new ATOM 0 HZ PHE A 63 -19.400 7.148 17.504 1.00 0.77 H new ATOM 1037 N LYS A 64 -12.495 6.030 12.757 1.00 0.23 N ATOM 1038 CA LYS A 64 -11.051 6.144 12.904 1.00 0.23 C ATOM 1039 C LYS A 64 -10.404 5.661 11.612 1.00 0.23 C ATOM 1040 O LYS A 64 -10.980 4.813 10.934 1.00 0.25 O ATOM 1041 CB LYS A 64 -10.566 5.333 14.121 1.00 0.26 C ATOM 1042 CG LYS A 64 -10.703 3.815 13.933 1.00 1.35 C ATOM 1043 CD LYS A 64 -10.339 3.023 15.197 1.00 1.58 C ATOM 1044 CE LYS A 64 -11.552 2.736 16.089 1.00 2.87 C ATOM 1045 NZ LYS A 64 -11.956 3.864 16.953 1.00 3.48 N ATOM 0 H LYS A 64 -12.789 5.389 12.020 1.00 0.23 H new ATOM 0 HA LYS A 64 -10.767 7.181 13.083 1.00 0.23 H new ATOM 0 HB2 LYS A 64 -9.521 5.575 14.317 1.00 0.26 H new ATOM 0 HB3 LYS A 64 -11.134 5.636 15.001 1.00 0.26 H new ATOM 0 HG2 LYS A 64 -11.728 3.580 13.645 1.00 1.35 H new ATOM 0 HG3 LYS A 64 -10.061 3.496 13.112 1.00 1.35 H new ATOM 0 HD2 LYS A 64 -9.875 2.080 14.908 1.00 1.58 H new ATOM 0 HD3 LYS A 64 -9.597 3.581 15.769 1.00 1.58 H new ATOM 0 HE2 LYS A 64 -12.395 2.459 15.456 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -11.329 1.874 16.718 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -12.830 3.618 17.459 1.00 3.48 H new ATOM 0 HZ2 LYS A 64 -11.202 4.062 17.641 1.00 3.48 H new ATOM 0 HZ3 LYS A 64 -12.121 4.708 16.368 1.00 3.48 H new ATOM 1059 N PRO A 65 -9.220 6.160 11.246 1.00 0.24 N ATOM 1060 CA PRO A 65 -8.592 5.732 10.017 1.00 0.24 C ATOM 1061 C PRO A 65 -8.182 4.259 10.132 1.00 0.21 C ATOM 1062 O PRO A 65 -7.898 3.769 11.226 1.00 0.23 O ATOM 1063 CB PRO A 65 -7.398 6.665 9.822 1.00 0.30 C ATOM 1064 CG PRO A 65 -7.038 7.093 11.243 1.00 0.30 C ATOM 1065 CD PRO A 65 -8.383 7.095 11.974 1.00 0.26 C ATOM 0 HA PRO A 65 -9.256 5.790 9.155 1.00 0.24 H new ATOM 0 HB2 PRO A 65 -6.567 6.155 9.335 1.00 0.30 H new ATOM 0 HB3 PRO A 65 -7.656 7.521 9.199 1.00 0.30 H new ATOM 0 HG2 PRO A 65 -6.333 6.400 11.703 1.00 0.30 H new ATOM 0 HG3 PRO A 65 -6.573 8.078 11.258 1.00 0.30 H new ATOM 0 HD2 PRO A 65 -8.265 6.789 13.014 1.00 0.26 H new ATOM 0 HD3 PRO A 65 -8.824 8.092 11.983 1.00 0.26 H new ATOM 1073 N PRO A 66 -8.148 3.551 8.999 1.00 0.20 N ATOM 1074 CA PRO A 66 -7.679 2.180 8.909 1.00 0.21 C ATOM 1075 C PRO A 66 -6.162 2.163 9.086 1.00 0.21 C ATOM 1076 O PRO A 66 -5.504 3.204 9.076 1.00 0.25 O ATOM 1077 CB PRO A 66 -8.079 1.719 7.507 1.00 0.26 C ATOM 1078 CG PRO A 66 -7.946 3.011 6.713 1.00 0.38 C ATOM 1079 CD PRO A 66 -8.424 4.083 7.683 1.00 0.28 C ATOM 0 HA PRO A 66 -8.101 1.527 9.673 1.00 0.21 H new ATOM 0 HB2 PRO A 66 -7.421 0.936 7.129 1.00 0.26 H new ATOM 0 HB3 PRO A 66 -9.094 1.323 7.479 1.00 0.26 H new ATOM 0 HG2 PRO A 66 -6.916 3.184 6.400 1.00 0.38 H new ATOM 0 HG3 PRO A 66 -8.554 2.989 5.809 1.00 0.38 H new ATOM 0 HD2 PRO A 66 -7.899 5.024 7.520 1.00 0.28 H new ATOM 0 HD3 PRO A 66 -9.487 4.285 7.555 1.00 0.28 H new ATOM 1087 N LYS A 67 -5.590 0.967 9.184 1.00 0.23 N ATOM 1088 CA LYS A 67 -4.146 0.794 9.235 1.00 0.21 C ATOM 1089 C LYS A 67 -3.734 0.003 8.007 1.00 0.22 C ATOM 1090 O LYS A 67 -4.568 -0.631 7.368 1.00 0.45 O ATOM 1091 CB LYS A 67 -3.751 0.101 10.554 1.00 0.35 C ATOM 1092 CG LYS A 67 -2.993 1.060 11.486 1.00 0.86 C ATOM 1093 CD LYS A 67 -1.486 1.043 11.193 1.00 0.89 C ATOM 1094 CE LYS A 67 -0.868 -0.233 11.786 1.00 2.16 C ATOM 1095 NZ LYS A 67 0.230 -0.790 10.960 1.00 3.44 N ATOM 0 H LYS A 67 -6.115 0.094 9.230 1.00 0.23 H new ATOM 0 HA LYS A 67 -3.624 1.751 9.222 1.00 0.21 H new ATOM 0 HB2 LYS A 67 -4.646 -0.266 11.057 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -3.128 -0.767 10.338 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -3.379 2.072 11.363 1.00 0.86 H new ATOM 0 HG3 LYS A 67 -3.168 0.777 12.524 1.00 0.86 H new ATOM 0 HD2 LYS A 67 -1.312 1.079 10.118 1.00 0.89 H new ATOM 0 HD3 LYS A 67 -1.010 1.925 11.622 1.00 0.89 H new ATOM 0 HE2 LYS A 67 -0.488 -0.015 12.784 1.00 2.16 H new ATOM 0 HE3 LYS A 67 -1.647 -0.987 11.899 1.00 2.16 H new ATOM 0 HZ1 LYS A 67 -0.008 -1.761 10.675 1.00 3.44 H new ATOM 0 HZ2 LYS A 67 0.359 -0.202 10.112 1.00 3.44 H new ATOM 0 HZ3 LYS A 67 1.111 -0.798 11.513 1.00 3.44 H new ATOM 1109 N ILE A 68 -2.451 0.032 7.667 1.00 0.13 N ATOM 1110 CA ILE A 68 -1.894 -0.825 6.635 1.00 0.14 C ATOM 1111 C ILE A 68 -0.609 -1.392 7.211 1.00 0.15 C ATOM 1112 O ILE A 68 0.023 -0.746 8.057 1.00 0.27 O ATOM 1113 CB ILE A 68 -1.638 -0.052 5.325 1.00 0.16 C ATOM 1114 CG1 ILE A 68 -2.613 1.129 5.162 1.00 0.22 C ATOM 1115 CG2 ILE A 68 -1.723 -0.988 4.117 1.00 0.18 C ATOM 1116 CD1 ILE A 68 -2.310 1.921 3.902 1.00 0.25 C ATOM 0 H ILE A 68 -1.768 0.653 8.102 1.00 0.13 H new ATOM 0 HA ILE A 68 -2.591 -1.620 6.368 1.00 0.14 H new ATOM 0 HB ILE A 68 -0.629 0.356 5.379 1.00 0.16 H new ATOM 0 HG12 ILE A 68 -3.637 0.756 5.123 1.00 0.22 H new ATOM 0 HG13 ILE A 68 -2.545 1.783 6.031 1.00 0.22 H new ATOM 0 HG21 ILE A 68 -1.539 -0.421 3.204 1.00 0.18 H new ATOM 0 HG22 ILE A 68 -0.975 -1.775 4.213 1.00 0.18 H new ATOM 0 HG23 ILE A 68 -2.716 -1.435 4.073 1.00 0.18 H new ATOM 0 HD11 ILE A 68 -3.014 2.748 3.814 1.00 0.25 H new ATOM 0 HD12 ILE A 68 -1.294 2.313 3.954 1.00 0.25 H new ATOM 0 HD13 ILE A 68 -2.403 1.271 3.032 1.00 0.25 H new ATOM 1128 N THR A 69 -0.229 -2.594 6.785 1.00 0.15 N ATOM 1129 CA THR A 69 1.060 -3.153 7.137 1.00 0.16 C ATOM 1130 C THR A 69 1.514 -4.041 5.976 1.00 0.18 C ATOM 1131 O THR A 69 0.816 -4.987 5.606 1.00 0.26 O ATOM 1132 CB THR A 69 0.942 -3.934 8.457 1.00 0.18 C ATOM 1133 OG1 THR A 69 0.092 -3.278 9.388 1.00 0.23 O ATOM 1134 CG2 THR A 69 2.318 -4.080 9.102 1.00 0.22 C ATOM 0 H THR A 69 -0.802 -3.196 6.194 1.00 0.15 H new ATOM 0 HA THR A 69 1.805 -2.373 7.296 1.00 0.16 H new ATOM 0 HB THR A 69 0.518 -4.908 8.212 1.00 0.18 H new ATOM 0 HG1 THR A 69 0.041 -3.805 10.213 1.00 0.23 H new ATOM 0 HG21 THR A 69 2.225 -4.634 10.036 1.00 0.22 H new ATOM 0 HG22 THR A 69 2.982 -4.618 8.425 1.00 0.22 H new ATOM 0 HG23 THR A 69 2.731 -3.092 9.306 1.00 0.22 H new ATOM 1142 N PHE A 70 2.656 -3.722 5.364 1.00 0.15 N ATOM 1143 CA PHE A 70 3.203 -4.520 4.279 1.00 0.14 C ATOM 1144 C PHE A 70 3.622 -5.874 4.843 1.00 0.15 C ATOM 1145 O PHE A 70 4.148 -5.961 5.950 1.00 0.19 O ATOM 1146 CB PHE A 70 4.384 -3.823 3.581 1.00 0.14 C ATOM 1147 CG PHE A 70 4.025 -2.659 2.668 1.00 0.14 C ATOM 1148 CD1 PHE A 70 3.157 -1.628 3.081 1.00 0.14 C ATOM 1149 CD2 PHE A 70 4.580 -2.608 1.375 1.00 0.17 C ATOM 1150 CE1 PHE A 70 2.869 -0.559 2.216 1.00 0.15 C ATOM 1151 CE2 PHE A 70 4.327 -1.519 0.524 1.00 0.18 C ATOM 1152 CZ PHE A 70 3.483 -0.484 0.955 1.00 0.17 C ATOM 0 H PHE A 70 3.220 -2.908 5.608 1.00 0.15 H new ATOM 0 HA PHE A 70 2.436 -4.652 3.516 1.00 0.14 H new ATOM 0 HB2 PHE A 70 5.070 -3.461 4.346 1.00 0.14 H new ATOM 0 HB3 PHE A 70 4.924 -4.566 2.994 1.00 0.14 H new ATOM 0 HD1 PHE A 70 2.712 -1.660 4.065 1.00 0.14 H new ATOM 0 HD2 PHE A 70 5.209 -3.417 1.033 1.00 0.17 H new ATOM 0 HE1 PHE A 70 2.173 0.208 2.522 1.00 0.15 H new ATOM 0 HE2 PHE A 70 4.779 -1.479 -0.456 1.00 0.18 H new ATOM 0 HZ PHE A 70 3.306 0.370 0.318 1.00 0.17 H new ATOM 1162 N LYS A 71 3.370 -6.943 4.088 1.00 0.25 N ATOM 1163 CA LYS A 71 3.866 -8.272 4.419 1.00 0.32 C ATOM 1164 C LYS A 71 5.292 -8.422 3.899 1.00 0.34 C ATOM 1165 O LYS A 71 6.100 -9.140 4.481 1.00 0.40 O ATOM 1166 CB LYS A 71 2.971 -9.353 3.793 1.00 0.37 C ATOM 1167 CG LYS A 71 1.458 -9.140 3.960 1.00 0.50 C ATOM 1168 CD LYS A 71 0.924 -9.304 5.388 1.00 0.57 C ATOM 1169 CE LYS A 71 1.372 -8.185 6.335 1.00 0.98 C ATOM 1170 NZ LYS A 71 0.449 -8.054 7.480 1.00 1.32 N ATOM 0 H LYS A 71 2.817 -6.909 3.232 1.00 0.25 H new ATOM 0 HA LYS A 71 3.853 -8.395 5.502 1.00 0.32 H new ATOM 0 HB2 LYS A 71 3.196 -9.414 2.728 1.00 0.37 H new ATOM 0 HB3 LYS A 71 3.235 -10.316 4.230 1.00 0.37 H new ATOM 0 HG2 LYS A 71 1.209 -8.138 3.610 1.00 0.50 H new ATOM 0 HG3 LYS A 71 0.936 -9.844 3.312 1.00 0.50 H new ATOM 0 HD2 LYS A 71 -0.165 -9.333 5.360 1.00 0.57 H new ATOM 0 HD3 LYS A 71 1.258 -10.262 5.786 1.00 0.57 H new ATOM 0 HE2 LYS A 71 2.379 -8.393 6.698 1.00 0.98 H new ATOM 0 HE3 LYS A 71 1.418 -7.241 5.791 1.00 0.98 H new ATOM 0 HZ1 LYS A 71 0.596 -7.133 7.940 1.00 1.32 H new ATOM 0 HZ2 LYS A 71 -0.533 -8.121 7.144 1.00 1.32 H new ATOM 0 HZ3 LYS A 71 0.633 -8.816 8.163 1.00 1.32 H new ATOM 1184 N THR A 72 5.585 -7.782 2.767 1.00 0.37 N ATOM 1185 CA THR A 72 6.877 -7.906 2.116 1.00 0.41 C ATOM 1186 C THR A 72 7.820 -6.797 2.594 1.00 0.45 C ATOM 1187 O THR A 72 7.372 -5.746 3.045 1.00 0.55 O ATOM 1188 CB THR A 72 6.666 -7.938 0.597 1.00 0.36 C ATOM 1189 OG1 THR A 72 5.766 -6.935 0.153 1.00 0.35 O ATOM 1190 CG2 THR A 72 6.061 -9.288 0.206 1.00 0.34 C ATOM 0 H THR A 72 4.932 -7.167 2.282 1.00 0.37 H new ATOM 0 HA THR A 72 7.366 -8.841 2.389 1.00 0.41 H new ATOM 0 HB THR A 72 7.640 -7.769 0.137 1.00 0.36 H new ATOM 0 HG1 THR A 72 5.820 -6.160 0.750 1.00 0.35 H new ATOM 0 HG21 THR A 72 5.908 -9.319 -0.873 1.00 0.34 H new ATOM 0 HG22 THR A 72 6.739 -10.089 0.499 1.00 0.34 H new ATOM 0 HG23 THR A 72 5.105 -9.418 0.712 1.00 0.34 H new ATOM 1198 N LYS A 73 9.132 -7.052 2.544 1.00 0.47 N ATOM 1199 CA LYS A 73 10.173 -6.152 3.039 1.00 0.41 C ATOM 1200 C LYS A 73 10.200 -4.891 2.192 1.00 0.53 C ATOM 1201 O LYS A 73 10.293 -5.002 0.974 1.00 0.97 O ATOM 1202 CB LYS A 73 11.539 -6.854 2.946 1.00 0.40 C ATOM 1203 CG LYS A 73 12.184 -7.068 4.308 1.00 0.82 C ATOM 1204 CD LYS A 73 11.286 -7.926 5.203 1.00 0.52 C ATOM 1205 CE LYS A 73 12.149 -8.854 6.056 1.00 0.77 C ATOM 1206 NZ LYS A 73 11.319 -9.769 6.866 1.00 1.64 N ATOM 0 H LYS A 73 9.506 -7.914 2.147 1.00 0.47 H new ATOM 0 HA LYS A 73 9.963 -5.890 4.076 1.00 0.41 H new ATOM 0 HB2 LYS A 73 11.415 -7.818 2.452 1.00 0.40 H new ATOM 0 HB3 LYS A 73 12.206 -6.260 2.322 1.00 0.40 H new ATOM 0 HG2 LYS A 73 13.153 -7.552 4.185 1.00 0.82 H new ATOM 0 HG3 LYS A 73 12.367 -6.105 4.785 1.00 0.82 H new ATOM 0 HD2 LYS A 73 10.678 -7.288 5.844 1.00 0.52 H new ATOM 0 HD3 LYS A 73 10.599 -8.511 4.592 1.00 0.52 H new ATOM 0 HE2 LYS A 73 12.809 -9.434 5.411 1.00 0.77 H new ATOM 0 HE3 LYS A 73 12.785 -8.260 6.712 1.00 0.77 H new ATOM 0 HZ1 LYS A 73 11.727 -9.856 7.819 1.00 1.64 H new ATOM 0 HZ2 LYS A 73 10.353 -9.391 6.937 1.00 1.64 H new ATOM 0 HZ3 LYS A 73 11.292 -10.705 6.414 1.00 1.64 H new ATOM 1220 N ILE A 74 10.171 -3.708 2.810 1.00 0.26 N ATOM 1221 CA ILE A 74 10.052 -2.453 2.081 1.00 0.27 C ATOM 1222 C ILE A 74 11.359 -1.678 2.097 1.00 0.30 C ATOM 1223 O ILE A 74 12.070 -1.657 3.093 1.00 0.49 O ATOM 1224 CB ILE A 74 8.882 -1.606 2.615 1.00 0.29 C ATOM 1225 CG1 ILE A 74 8.981 -1.226 4.102 1.00 0.29 C ATOM 1226 CG2 ILE A 74 7.569 -2.354 2.396 1.00 0.42 C ATOM 1227 CD1 ILE A 74 9.937 -0.060 4.376 1.00 0.36 C ATOM 0 H ILE A 74 10.229 -3.598 3.822 1.00 0.26 H new ATOM 0 HA ILE A 74 9.831 -2.693 1.041 1.00 0.27 H new ATOM 0 HB ILE A 74 8.924 -0.673 2.054 1.00 0.29 H new ATOM 0 HG12 ILE A 74 7.988 -0.964 4.468 1.00 0.29 H new ATOM 0 HG13 ILE A 74 9.311 -2.096 4.669 1.00 0.29 H new ATOM 0 HG21 ILE A 74 6.741 -1.754 2.774 1.00 0.42 H new ATOM 0 HG22 ILE A 74 7.428 -2.537 1.331 1.00 0.42 H new ATOM 0 HG23 ILE A 74 7.600 -3.306 2.927 1.00 0.42 H new ATOM 0 HD11 ILE A 74 9.956 0.152 5.445 1.00 0.36 H new ATOM 0 HD12 ILE A 74 10.940 -0.325 4.041 1.00 0.36 H new ATOM 0 HD13 ILE A 74 9.597 0.824 3.837 1.00 0.36 H new ATOM 1239 N TYR A 75 11.635 -0.988 0.990 1.00 0.23 N ATOM 1240 CA TYR A 75 12.778 -0.093 0.859 1.00 0.27 C ATOM 1241 C TYR A 75 12.282 1.290 0.440 1.00 0.45 C ATOM 1242 O TYR A 75 12.952 2.026 -0.279 1.00 1.02 O ATOM 1243 CB TYR A 75 13.779 -0.686 -0.144 1.00 0.30 C ATOM 1244 CG TYR A 75 15.186 -0.774 0.401 1.00 0.71 C ATOM 1245 CD1 TYR A 75 15.795 0.330 1.026 1.00 2.20 C ATOM 1246 CD2 TYR A 75 15.883 -1.987 0.298 1.00 1.87 C ATOM 1247 CE1 TYR A 75 17.095 0.212 1.547 1.00 2.60 C ATOM 1248 CE2 TYR A 75 17.178 -2.116 0.817 1.00 2.19 C ATOM 1249 CZ TYR A 75 17.799 -1.008 1.433 1.00 1.93 C ATOM 1250 OH TYR A 75 19.081 -1.100 1.885 1.00 2.53 O ATOM 0 H TYR A 75 11.061 -1.038 0.149 1.00 0.23 H new ATOM 0 HA TYR A 75 13.298 0.015 1.811 1.00 0.27 H new ATOM 0 HB2 TYR A 75 13.446 -1.682 -0.434 1.00 0.30 H new ATOM 0 HB3 TYR A 75 13.783 -0.076 -1.047 1.00 0.30 H new ATOM 0 HD1 TYR A 75 15.264 1.267 1.105 1.00 2.20 H new ATOM 0 HD2 TYR A 75 15.416 -2.831 -0.187 1.00 1.87 H new ATOM 0 HE1 TYR A 75 17.557 1.057 2.036 1.00 2.60 H new ATOM 0 HE2 TYR A 75 17.699 -3.059 0.746 1.00 2.19 H new ATOM 0 HH TYR A 75 19.418 -2.007 1.731 1.00 2.53 H new ATOM 1260 N HIS A 76 11.079 1.648 0.886 1.00 0.24 N ATOM 1261 CA HIS A 76 10.439 2.901 0.541 1.00 0.19 C ATOM 1262 C HIS A 76 10.217 3.662 1.834 1.00 0.18 C ATOM 1263 O HIS A 76 9.634 3.095 2.751 1.00 0.20 O ATOM 1264 CB HIS A 76 9.103 2.620 -0.145 1.00 0.24 C ATOM 1265 CG HIS A 76 9.264 2.205 -1.579 1.00 0.49 C ATOM 1266 ND1 HIS A 76 9.386 0.913 -2.060 1.00 0.70 N ATOM 1267 CD2 HIS A 76 9.290 3.065 -2.639 1.00 1.07 C ATOM 1268 CE1 HIS A 76 9.510 0.996 -3.398 1.00 1.11 C ATOM 1269 NE2 HIS A 76 9.420 2.287 -3.766 1.00 1.39 N ATOM 0 H HIS A 76 10.519 1.062 1.506 1.00 0.24 H new ATOM 0 HA HIS A 76 11.056 3.484 -0.143 1.00 0.19 H new ATOM 0 HB2 HIS A 76 8.578 1.835 0.399 1.00 0.24 H new ATOM 0 HB3 HIS A 76 8.480 3.513 -0.097 1.00 0.24 H new ATOM 0 HD2 HIS A 76 9.222 4.142 -2.600 1.00 1.07 H new ATOM 0 HE1 HIS A 76 9.658 0.162 -4.067 1.00 1.11 H new ATOM 0 HE2 HIS A 76 9.444 2.633 -4.725 1.00 1.39 H new ATOM 1278 N PRO A 77 10.611 4.937 1.899 1.00 0.18 N ATOM 1279 CA PRO A 77 10.563 5.730 3.118 1.00 0.18 C ATOM 1280 C PRO A 77 9.137 5.988 3.580 1.00 0.18 C ATOM 1281 O PRO A 77 8.901 6.346 4.728 1.00 0.20 O ATOM 1282 CB PRO A 77 11.245 7.042 2.748 1.00 0.20 C ATOM 1283 CG PRO A 77 10.982 7.180 1.250 1.00 0.21 C ATOM 1284 CD PRO A 77 11.075 5.734 0.777 1.00 0.21 C ATOM 0 HA PRO A 77 11.050 5.213 3.945 1.00 0.18 H new ATOM 0 HB2 PRO A 77 10.829 7.881 3.306 1.00 0.20 H new ATOM 0 HB3 PRO A 77 12.313 7.013 2.966 1.00 0.20 H new ATOM 0 HG2 PRO A 77 10.003 7.614 1.046 1.00 0.21 H new ATOM 0 HG3 PRO A 77 11.721 7.817 0.763 1.00 0.21 H new ATOM 0 HD2 PRO A 77 10.458 5.568 -0.106 1.00 0.21 H new ATOM 0 HD3 PRO A 77 12.098 5.473 0.505 1.00 0.21 H new ATOM 1292 N ASN A 78 8.179 5.860 2.669 1.00 0.18 N ATOM 1293 CA ASN A 78 6.782 6.129 2.955 1.00 0.18 C ATOM 1294 C ASN A 78 6.207 5.072 3.908 1.00 0.15 C ATOM 1295 O ASN A 78 5.134 5.269 4.475 1.00 0.22 O ATOM 1296 CB ASN A 78 5.986 6.166 1.646 1.00 0.28 C ATOM 1297 CG ASN A 78 6.776 6.708 0.461 1.00 0.97 C ATOM 1298 OD1 ASN A 78 7.104 7.887 0.377 1.00 1.15 O ATOM 1299 ND2 ASN A 78 7.095 5.826 -0.476 1.00 2.61 N ATOM 0 H ASN A 78 8.354 5.565 1.708 1.00 0.18 H new ATOM 0 HA ASN A 78 6.704 7.099 3.446 1.00 0.18 H new ATOM 0 HB2 ASN A 78 5.643 5.158 1.412 1.00 0.28 H new ATOM 0 HB3 ASN A 78 5.097 6.780 1.789 1.00 0.28 H new ATOM 0 HD21 ASN A 78 7.627 6.121 -1.294 1.00 2.61 H new ATOM 0 HD22 ASN A 78 6.808 4.852 -0.378 1.00 2.61 H new ATOM 1306 N ILE A 79 6.905 3.941 4.055 1.00 0.13 N ATOM 1307 CA ILE A 79 6.559 2.821 4.907 1.00 0.15 C ATOM 1308 C ILE A 79 7.765 2.611 5.842 1.00 0.18 C ATOM 1309 O ILE A 79 8.833 3.182 5.625 1.00 0.24 O ATOM 1310 CB ILE A 79 6.218 1.607 4.006 1.00 0.17 C ATOM 1311 CG1 ILE A 79 5.259 2.014 2.867 1.00 0.21 C ATOM 1312 CG2 ILE A 79 5.578 0.433 4.771 1.00 0.20 C ATOM 1313 CD1 ILE A 79 5.942 2.092 1.497 1.00 0.46 C ATOM 0 H ILE A 79 7.776 3.783 3.548 1.00 0.13 H new ATOM 0 HA ILE A 79 5.676 2.983 5.526 1.00 0.15 H new ATOM 0 HB ILE A 79 7.176 1.273 3.607 1.00 0.17 H new ATOM 0 HG12 ILE A 79 4.441 1.296 2.817 1.00 0.21 H new ATOM 0 HG13 ILE A 79 4.819 2.983 3.101 1.00 0.21 H new ATOM 0 HG21 ILE A 79 5.366 -0.381 4.078 1.00 0.20 H new ATOM 0 HG22 ILE A 79 6.265 0.084 5.542 1.00 0.20 H new ATOM 0 HG23 ILE A 79 4.649 0.765 5.236 1.00 0.20 H new ATOM 0 HD11 ILE A 79 5.211 2.383 0.742 1.00 0.46 H new ATOM 0 HD12 ILE A 79 6.743 2.831 1.531 1.00 0.46 H new ATOM 0 HD13 ILE A 79 6.358 1.117 1.242 1.00 0.46 H new ATOM 1325 N ASP A 80 7.608 1.816 6.896 1.00 0.21 N ATOM 1326 CA ASP A 80 8.640 1.449 7.852 1.00 0.25 C ATOM 1327 C ASP A 80 9.028 -0.007 7.613 1.00 0.21 C ATOM 1328 O ASP A 80 8.270 -0.747 6.989 1.00 0.20 O ATOM 1329 CB ASP A 80 8.036 1.574 9.247 1.00 0.34 C ATOM 1330 CG ASP A 80 8.955 1.045 10.337 1.00 0.42 C ATOM 1331 OD1 ASP A 80 10.151 1.404 10.301 1.00 1.39 O ATOM 1332 OD2 ASP A 80 8.451 0.226 11.140 1.00 1.14 O ATOM 0 H ASP A 80 6.708 1.389 7.115 1.00 0.21 H new ATOM 0 HA ASP A 80 9.517 2.088 7.749 1.00 0.25 H new ATOM 0 HB2 ASP A 80 7.808 2.621 9.447 1.00 0.34 H new ATOM 0 HB3 ASP A 80 7.092 1.031 9.279 1.00 0.34 H new ATOM 1337 N GLU A 81 10.165 -0.450 8.147 1.00 0.24 N ATOM 1338 CA GLU A 81 10.611 -1.834 8.026 1.00 0.25 C ATOM 1339 C GLU A 81 9.557 -2.829 8.505 1.00 0.23 C ATOM 1340 O GLU A 81 9.375 -3.878 7.889 1.00 0.28 O ATOM 1341 CB GLU A 81 11.932 -2.040 8.776 1.00 0.33 C ATOM 1342 CG GLU A 81 13.148 -1.898 7.845 1.00 0.77 C ATOM 1343 CD GLU A 81 13.857 -3.244 7.655 1.00 2.48 C ATOM 1344 OE1 GLU A 81 13.554 -3.925 6.649 1.00 4.08 O ATOM 1345 OE2 GLU A 81 14.673 -3.586 8.539 1.00 2.94 O ATOM 0 H GLU A 81 10.803 0.143 8.677 1.00 0.24 H new ATOM 0 HA GLU A 81 10.772 -2.028 6.966 1.00 0.25 H new ATOM 0 HB2 GLU A 81 12.007 -1.313 9.585 1.00 0.33 H new ATOM 0 HB3 GLU A 81 11.939 -3.029 9.234 1.00 0.33 H new ATOM 0 HG2 GLU A 81 12.826 -1.513 6.877 1.00 0.77 H new ATOM 0 HG3 GLU A 81 13.846 -1.171 8.261 1.00 0.77 H new ATOM 1352 N LYS A 82 8.800 -2.510 9.559 1.00 0.21 N ATOM 1353 CA LYS A 82 7.711 -3.379 10.006 1.00 0.22 C ATOM 1354 C LYS A 82 6.472 -3.251 9.111 1.00 0.21 C ATOM 1355 O LYS A 82 5.360 -3.525 9.553 1.00 0.26 O ATOM 1356 CB LYS A 82 7.405 -3.039 11.470 1.00 0.24 C ATOM 1357 CG LYS A 82 8.325 -3.833 12.397 1.00 0.77 C ATOM 1358 CD LYS A 82 8.451 -3.116 13.741 1.00 1.02 C ATOM 1359 CE LYS A 82 8.966 -4.106 14.788 1.00 1.35 C ATOM 1360 NZ LYS A 82 9.278 -3.439 16.071 1.00 2.10 N ATOM 0 H LYS A 82 8.921 -1.663 10.114 1.00 0.21 H new ATOM 0 HA LYS A 82 8.016 -4.423 9.930 1.00 0.22 H new ATOM 0 HB2 LYS A 82 7.540 -1.971 11.639 1.00 0.24 H new ATOM 0 HB3 LYS A 82 6.363 -3.269 11.695 1.00 0.24 H new ATOM 0 HG2 LYS A 82 7.927 -4.837 12.546 1.00 0.77 H new ATOM 0 HG3 LYS A 82 9.308 -3.944 11.940 1.00 0.77 H new ATOM 0 HD2 LYS A 82 9.134 -2.271 13.654 1.00 1.02 H new ATOM 0 HD3 LYS A 82 7.484 -2.715 14.046 1.00 1.02 H new ATOM 0 HE2 LYS A 82 8.218 -4.881 14.954 1.00 1.35 H new ATOM 0 HE3 LYS A 82 9.860 -4.602 14.410 1.00 1.35 H new ATOM 0 HZ1 LYS A 82 9.624 -4.144 16.753 1.00 2.10 H new ATOM 0 HZ2 LYS A 82 10.011 -2.717 15.918 1.00 2.10 H new ATOM 0 HZ3 LYS A 82 8.419 -2.987 16.445 1.00 2.10 H new ATOM 1374 N GLY A 83 6.624 -2.801 7.866 1.00 0.19 N ATOM 1375 CA GLY A 83 5.543 -2.590 6.929 1.00 0.19 C ATOM 1376 C GLY A 83 4.597 -1.466 7.341 1.00 0.18 C ATOM 1377 O GLY A 83 3.613 -1.235 6.644 1.00 0.17 O ATOM 0 H GLY A 83 7.538 -2.568 7.478 1.00 0.19 H new ATOM 0 HA2 GLY A 83 5.961 -2.362 5.948 1.00 0.19 H new ATOM 0 HA3 GLY A 83 4.975 -3.514 6.827 1.00 0.19 H new ATOM 1381 N GLN A 84 4.845 -0.777 8.457 1.00 0.24 N ATOM 1382 CA GLN A 84 3.916 0.213 8.976 1.00 0.25 C ATOM 1383 C GLN A 84 3.864 1.404 8.032 1.00 0.22 C ATOM 1384 O GLN A 84 4.859 1.739 7.410 1.00 0.25 O ATOM 1385 CB GLN A 84 4.364 0.693 10.357 1.00 0.31 C ATOM 1386 CG GLN A 84 4.467 -0.450 11.369 1.00 0.60 C ATOM 1387 CD GLN A 84 4.857 0.090 12.738 1.00 1.02 C ATOM 1388 OE1 GLN A 84 4.010 0.220 13.613 1.00 1.19 O ATOM 1389 NE2 GLN A 84 6.124 0.430 12.944 1.00 1.62 N ATOM 0 H GLN A 84 5.689 -0.892 9.018 1.00 0.24 H new ATOM 0 HA GLN A 84 2.930 -0.244 9.058 1.00 0.25 H new ATOM 0 HB2 GLN A 84 5.332 1.186 10.270 1.00 0.31 H new ATOM 0 HB3 GLN A 84 3.659 1.438 10.726 1.00 0.31 H new ATOM 0 HG2 GLN A 84 3.513 -0.973 11.435 1.00 0.60 H new ATOM 0 HG3 GLN A 84 5.207 -1.177 11.033 1.00 0.60 H new ATOM 0 HE21 GLN A 84 6.811 0.312 12.199 1.00 1.62 H new ATOM 0 HE22 GLN A 84 6.410 0.809 13.847 1.00 1.62 H new ATOM 1398 N VAL A 85 2.729 2.083 7.951 1.00 0.20 N ATOM 1399 CA VAL A 85 2.576 3.211 7.049 1.00 0.18 C ATOM 1400 C VAL A 85 2.189 4.445 7.853 1.00 0.18 C ATOM 1401 O VAL A 85 1.546 4.320 8.894 1.00 0.20 O ATOM 1402 CB VAL A 85 1.520 2.866 6.001 1.00 0.18 C ATOM 1403 CG1 VAL A 85 1.968 1.707 5.109 1.00 0.23 C ATOM 1404 CG2 VAL A 85 0.190 2.513 6.655 1.00 0.24 C ATOM 0 H VAL A 85 1.898 1.870 8.503 1.00 0.20 H new ATOM 0 HA VAL A 85 3.512 3.425 6.533 1.00 0.18 H new ATOM 0 HB VAL A 85 1.390 3.754 5.382 1.00 0.18 H new ATOM 0 HG11 VAL A 85 1.191 1.491 4.376 1.00 0.23 H new ATOM 0 HG12 VAL A 85 2.888 1.980 4.592 1.00 0.23 H new ATOM 0 HG13 VAL A 85 2.145 0.823 5.722 1.00 0.23 H new ATOM 0 HG21 VAL A 85 -0.542 2.272 5.884 1.00 0.24 H new ATOM 0 HG22 VAL A 85 0.324 1.652 7.310 1.00 0.24 H new ATOM 0 HG23 VAL A 85 -0.165 3.362 7.239 1.00 0.24 H new ATOM 1414 N CYS A 86 2.556 5.635 7.373 1.00 0.20 N ATOM 1415 CA CYS A 86 2.013 6.869 7.909 1.00 0.19 C ATOM 1416 C CYS A 86 1.825 7.842 6.749 1.00 0.20 C ATOM 1417 O CYS A 86 2.718 8.633 6.461 1.00 0.27 O ATOM 1418 CB CYS A 86 2.935 7.430 8.995 1.00 0.28 C ATOM 1419 SG CYS A 86 1.988 8.519 10.091 1.00 0.51 S ATOM 0 H CYS A 86 3.227 5.762 6.615 1.00 0.20 H new ATOM 0 HA CYS A 86 1.048 6.695 8.385 1.00 0.19 H new ATOM 0 HB2 CYS A 86 3.377 6.615 9.568 1.00 0.28 H new ATOM 0 HB3 CYS A 86 3.757 7.981 8.539 1.00 0.28 H new ATOM 0 HG CYS A 86 2.771 8.993 11.014 1.00 0.51 H new ATOM 1425 N LEU A 87 0.693 7.757 6.047 1.00 0.17 N ATOM 1426 CA LEU A 87 0.386 8.640 4.932 1.00 0.19 C ATOM 1427 C LEU A 87 -0.792 9.515 5.335 1.00 0.20 C ATOM 1428 O LEU A 87 -1.633 9.075 6.120 1.00 0.20 O ATOM 1429 CB LEU A 87 0.007 7.834 3.682 1.00 0.18 C ATOM 1430 CG LEU A 87 1.126 7.008 3.044 1.00 0.19 C ATOM 1431 CD1 LEU A 87 2.438 7.779 2.966 1.00 0.21 C ATOM 1432 CD2 LEU A 87 1.366 5.678 3.747 1.00 0.21 C ATOM 0 H LEU A 87 -0.036 7.070 6.241 1.00 0.17 H new ATOM 0 HA LEU A 87 1.263 9.243 4.697 1.00 0.19 H new ATOM 0 HB2 LEU A 87 -0.809 7.160 3.943 1.00 0.18 H new ATOM 0 HB3 LEU A 87 -0.378 8.525 2.933 1.00 0.18 H new ATOM 0 HG LEU A 87 0.775 6.797 2.034 1.00 0.19 H new ATOM 0 HD11 LEU A 87 3.202 7.152 2.506 1.00 0.21 H new ATOM 0 HD12 LEU A 87 2.297 8.678 2.366 1.00 0.21 H new ATOM 0 HD13 LEU A 87 2.755 8.060 3.970 1.00 0.21 H new ATOM 0 HD21 LEU A 87 2.171 5.141 3.245 1.00 0.21 H new ATOM 0 HD22 LEU A 87 1.643 5.860 4.785 1.00 0.21 H new ATOM 0 HD23 LEU A 87 0.456 5.079 3.714 1.00 0.21 H new ATOM 1444 N PRO A 88 -0.918 10.719 4.762 1.00 0.23 N ATOM 1445 CA PRO A 88 -1.982 11.645 5.108 1.00 0.24 C ATOM 1446 C PRO A 88 -3.375 11.055 4.874 1.00 0.28 C ATOM 1447 O PRO A 88 -4.302 11.392 5.602 1.00 0.45 O ATOM 1448 CB PRO A 88 -1.717 12.921 4.309 1.00 0.26 C ATOM 1449 CG PRO A 88 -0.776 12.479 3.188 1.00 0.28 C ATOM 1450 CD PRO A 88 -0.003 11.319 3.807 1.00 0.25 C ATOM 0 HA PRO A 88 -1.977 11.865 6.176 1.00 0.24 H new ATOM 0 HB2 PRO A 88 -2.641 13.339 3.910 1.00 0.26 H new ATOM 0 HB3 PRO A 88 -1.260 13.691 4.930 1.00 0.26 H new ATOM 0 HG2 PRO A 88 -1.327 12.166 2.301 1.00 0.28 H new ATOM 0 HG3 PRO A 88 -0.111 13.286 2.881 1.00 0.28 H new ATOM 0 HD2 PRO A 88 0.302 10.599 3.048 1.00 0.25 H new ATOM 0 HD3 PRO A 88 0.905 11.668 4.298 1.00 0.25 H new ATOM 1458 N VAL A 89 -3.521 10.140 3.911 1.00 0.22 N ATOM 1459 CA VAL A 89 -4.789 9.470 3.610 1.00 0.21 C ATOM 1460 C VAL A 89 -5.379 8.787 4.848 1.00 0.22 C ATOM 1461 O VAL A 89 -6.593 8.672 4.963 1.00 0.25 O ATOM 1462 CB VAL A 89 -4.638 8.484 2.427 1.00 0.20 C ATOM 1463 CG1 VAL A 89 -4.393 9.260 1.129 1.00 0.22 C ATOM 1464 CG2 VAL A 89 -3.478 7.504 2.628 1.00 0.20 C ATOM 0 H VAL A 89 -2.752 9.840 3.311 1.00 0.22 H new ATOM 0 HA VAL A 89 -5.499 10.239 3.304 1.00 0.21 H new ATOM 0 HB VAL A 89 -5.565 7.914 2.372 1.00 0.20 H new ATOM 0 HG11 VAL A 89 -4.288 8.559 0.301 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.236 9.924 0.938 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -3.481 9.849 1.224 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -3.415 6.834 1.770 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -2.545 8.059 2.724 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -3.648 6.920 3.533 1.00 0.20 H new ATOM 1474 N ILE A 90 -4.535 8.321 5.773 1.00 0.21 N ATOM 1475 CA ILE A 90 -4.965 7.649 6.994 1.00 0.21 C ATOM 1476 C ILE A 90 -4.291 8.258 8.221 1.00 0.23 C ATOM 1477 O ILE A 90 -4.232 7.639 9.281 1.00 0.25 O ATOM 1478 CB ILE A 90 -4.694 6.144 6.868 1.00 0.17 C ATOM 1479 CG1 ILE A 90 -3.193 5.864 6.691 1.00 0.18 C ATOM 1480 CG2 ILE A 90 -5.517 5.607 5.689 1.00 0.18 C ATOM 1481 CD1 ILE A 90 -2.910 4.377 6.515 1.00 0.18 C ATOM 0 H ILE A 90 -3.522 8.403 5.690 1.00 0.21 H new ATOM 0 HA ILE A 90 -6.037 7.791 7.130 1.00 0.21 H new ATOM 0 HB ILE A 90 -4.995 5.632 7.782 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -2.822 6.410 5.823 1.00 0.18 H new ATOM 0 HG13 ILE A 90 -2.649 6.237 7.559 1.00 0.18 H new ATOM 0 HG21 ILE A 90 -5.340 4.537 5.579 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -6.577 5.783 5.875 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -5.219 6.119 4.774 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -1.838 4.223 6.393 1.00 0.18 H new ATOM 0 HD12 ILE A 90 -3.257 3.834 7.394 1.00 0.18 H new ATOM 0 HD13 ILE A 90 -3.432 4.009 5.632 1.00 0.18 H new ATOM 1493 N SER A 91 -3.772 9.476 8.087 1.00 0.24 N ATOM 1494 CA SER A 91 -3.168 10.187 9.195 1.00 0.29 C ATOM 1495 C SER A 91 -4.253 10.445 10.236 1.00 0.35 C ATOM 1496 O SER A 91 -5.363 10.818 9.877 1.00 0.40 O ATOM 1497 CB SER A 91 -2.577 11.476 8.624 1.00 0.29 C ATOM 1498 OG SER A 91 -2.396 12.503 9.586 1.00 0.52 O ATOM 0 H SER A 91 -3.761 9.991 7.207 1.00 0.24 H new ATOM 0 HA SER A 91 -2.372 9.627 9.685 1.00 0.29 H new ATOM 0 HB2 SER A 91 -1.615 11.250 8.164 1.00 0.29 H new ATOM 0 HB3 SER A 91 -3.230 11.844 7.833 1.00 0.29 H new ATOM 0 HG SER A 91 -1.547 12.963 9.418 1.00 0.52 H new ATOM 1504 N ALA A 92 -3.944 10.268 11.523 1.00 0.52 N ATOM 1505 CA ALA A 92 -4.901 10.547 12.586 1.00 0.67 C ATOM 1506 C ALA A 92 -5.327 12.014 12.538 1.00 0.75 C ATOM 1507 O ALA A 92 -6.511 12.330 12.581 1.00 0.78 O ATOM 1508 CB ALA A 92 -4.288 10.192 13.942 1.00 0.88 C ATOM 0 H ALA A 92 -3.038 9.933 11.850 1.00 0.52 H new ATOM 0 HA ALA A 92 -5.791 9.934 12.443 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -5.008 10.403 14.733 1.00 0.88 H new ATOM 0 HB2 ALA A 92 -4.030 9.133 13.959 1.00 0.88 H new ATOM 0 HB3 ALA A 92 -3.389 10.787 14.102 1.00 0.88 H new ATOM 1514 N GLU A 93 -4.354 12.919 12.428 1.00 0.85 N ATOM 1515 CA GLU A 93 -4.607 14.353 12.370 1.00 1.04 C ATOM 1516 C GLU A 93 -5.397 14.725 11.114 1.00 0.99 C ATOM 1517 O GLU A 93 -6.126 15.713 11.120 1.00 1.23 O ATOM 1518 CB GLU A 93 -3.277 15.108 12.418 1.00 1.20 C ATOM 1519 CG GLU A 93 -2.588 14.897 13.772 1.00 1.72 C ATOM 1520 CD GLU A 93 -1.213 15.560 13.799 1.00 2.35 C ATOM 1521 OE1 GLU A 93 -0.380 15.155 12.958 1.00 3.26 O ATOM 1522 OE2 GLU A 93 -1.016 16.449 14.656 1.00 2.78 O ATOM 0 H GLU A 93 -3.365 12.674 12.377 1.00 0.85 H new ATOM 0 HA GLU A 93 -5.212 14.637 13.231 1.00 1.04 H new ATOM 0 HB2 GLU A 93 -2.627 14.762 11.615 1.00 1.20 H new ATOM 0 HB3 GLU A 93 -3.450 16.172 12.253 1.00 1.20 H new ATOM 0 HG2 GLU A 93 -3.209 15.309 14.568 1.00 1.72 H new ATOM 0 HG3 GLU A 93 -2.484 13.830 13.968 1.00 1.72 H new ATOM 1529 N ASN A 94 -5.285 13.933 10.043 1.00 0.80 N ATOM 1530 CA ASN A 94 -6.046 14.164 8.821 1.00 0.84 C ATOM 1531 C ASN A 94 -7.034 13.021 8.610 1.00 0.72 C ATOM 1532 O ASN A 94 -7.335 12.649 7.478 1.00 0.75 O ATOM 1533 CB ASN A 94 -5.115 14.321 7.614 1.00 0.86 C ATOM 1534 CG ASN A 94 -4.163 15.496 7.762 1.00 1.33 C ATOM 1535 OD1 ASN A 94 -4.415 16.573 7.236 1.00 2.17 O ATOM 1536 ND2 ASN A 94 -3.059 15.313 8.476 1.00 1.53 N ATOM 0 H ASN A 94 -4.668 13.121 10.003 1.00 0.80 H new ATOM 0 HA ASN A 94 -6.603 15.095 8.923 1.00 0.84 H new ATOM 0 HB2 ASN A 94 -4.539 13.405 7.482 1.00 0.86 H new ATOM 0 HB3 ASN A 94 -5.713 14.454 6.713 1.00 0.86 H new ATOM 0 HD21 ASN A 94 -2.397 16.079 8.597 1.00 1.53 H new ATOM 0 HD22 ASN A 94 -2.873 14.406 8.904 1.00 1.53 H new ATOM 1543 N TRP A 95 -7.575 12.475 9.698 1.00 0.63 N ATOM 1544 CA TRP A 95 -8.572 11.425 9.615 1.00 0.53 C ATOM 1545 C TRP A 95 -9.814 12.021 8.962 1.00 0.55 C ATOM 1546 O TRP A 95 -10.504 12.850 9.551 1.00 0.60 O ATOM 1547 CB TRP A 95 -8.866 10.869 11.012 1.00 0.46 C ATOM 1548 CG TRP A 95 -10.208 10.227 11.212 1.00 0.38 C ATOM 1549 CD1 TRP A 95 -10.797 9.289 10.433 1.00 0.32 C ATOM 1550 CD2 TRP A 95 -11.174 10.542 12.257 1.00 0.44 C ATOM 1551 NE1 TRP A 95 -12.069 9.025 10.910 1.00 0.31 N ATOM 1552 CE2 TRP A 95 -12.366 9.806 12.011 1.00 0.36 C ATOM 1553 CE3 TRP A 95 -11.162 11.399 13.379 1.00 0.60 C ATOM 1554 CZ2 TRP A 95 -13.508 9.955 12.811 1.00 0.42 C ATOM 1555 CZ3 TRP A 95 -12.290 11.525 14.210 1.00 0.67 C ATOM 1556 CH2 TRP A 95 -13.465 10.812 13.923 1.00 0.57 C ATOM 0 H TRP A 95 -7.333 12.749 10.650 1.00 0.63 H new ATOM 0 HA TRP A 95 -8.217 10.588 9.013 1.00 0.53 H new ATOM 0 HB2 TRP A 95 -8.098 10.135 11.255 1.00 0.46 H new ATOM 0 HB3 TRP A 95 -8.768 11.683 11.730 1.00 0.46 H new ATOM 0 HD1 TRP A 95 -10.344 8.819 9.572 1.00 0.32 H new ATOM 0 HE1 TRP A 95 -12.706 8.341 10.501 1.00 0.31 H new ATOM 0 HE3 TRP A 95 -10.272 11.968 13.603 1.00 0.60 H new ATOM 0 HZ2 TRP A 95 -14.413 9.415 12.574 1.00 0.42 H new ATOM 0 HZ3 TRP A 95 -12.252 12.173 15.073 1.00 0.67 H new ATOM 0 HH2 TRP A 95 -14.333 10.922 14.556 1.00 0.57 H new ATOM 1567 N LYS A 96 -10.101 11.599 7.733 1.00 0.58 N ATOM 1568 CA LYS A 96 -11.273 12.032 6.993 1.00 0.63 C ATOM 1569 C LYS A 96 -12.091 10.781 6.716 1.00 0.58 C ATOM 1570 O LYS A 96 -11.622 9.925 5.975 1.00 0.66 O ATOM 1571 CB LYS A 96 -10.842 12.718 5.684 1.00 0.81 C ATOM 1572 CG LYS A 96 -10.861 14.251 5.763 1.00 1.01 C ATOM 1573 CD LYS A 96 -9.979 14.793 6.892 1.00 1.22 C ATOM 1574 CE LYS A 96 -9.713 16.293 6.758 1.00 1.64 C ATOM 1575 NZ LYS A 96 -10.916 17.102 7.044 1.00 2.89 N ATOM 0 H LYS A 96 -9.516 10.939 7.221 1.00 0.58 H new ATOM 0 HA LYS A 96 -11.862 12.757 7.554 1.00 0.63 H new ATOM 0 HB2 LYS A 96 -9.836 12.388 5.424 1.00 0.81 H new ATOM 0 HB3 LYS A 96 -11.502 12.395 4.879 1.00 0.81 H new ATOM 0 HG2 LYS A 96 -10.523 14.664 4.813 1.00 1.01 H new ATOM 0 HG3 LYS A 96 -11.886 14.591 5.912 1.00 1.01 H new ATOM 0 HD2 LYS A 96 -10.460 14.597 7.850 1.00 1.22 H new ATOM 0 HD3 LYS A 96 -9.029 14.258 6.896 1.00 1.22 H new ATOM 0 HE2 LYS A 96 -8.913 16.581 7.441 1.00 1.64 H new ATOM 0 HE3 LYS A 96 -9.364 16.509 5.748 1.00 1.64 H new ATOM 0 HZ1 LYS A 96 -10.688 18.111 6.941 1.00 2.89 H new ATOM 0 HZ2 LYS A 96 -11.672 16.848 6.377 1.00 2.89 H new ATOM 0 HZ3 LYS A 96 -11.236 16.917 8.016 1.00 2.89 H new ATOM 1589 N PRO A 97 -13.322 10.669 7.228 1.00 0.51 N ATOM 1590 CA PRO A 97 -14.187 9.537 6.926 1.00 0.57 C ATOM 1591 C PRO A 97 -14.615 9.529 5.455 1.00 0.78 C ATOM 1592 O PRO A 97 -15.083 8.515 4.947 1.00 0.98 O ATOM 1593 CB PRO A 97 -15.370 9.670 7.887 1.00 0.53 C ATOM 1594 CG PRO A 97 -15.441 11.170 8.170 1.00 0.46 C ATOM 1595 CD PRO A 97 -13.977 11.607 8.123 1.00 0.43 C ATOM 0 HA PRO A 97 -13.678 8.583 7.064 1.00 0.57 H new ATOM 0 HB2 PRO A 97 -16.293 9.303 7.439 1.00 0.53 H new ATOM 0 HB3 PRO A 97 -15.210 9.097 8.801 1.00 0.53 H new ATOM 0 HG2 PRO A 97 -16.041 11.692 7.424 1.00 0.46 H new ATOM 0 HG3 PRO A 97 -15.891 11.375 9.141 1.00 0.46 H new ATOM 0 HD2 PRO A 97 -13.884 12.629 7.757 1.00 0.43 H new ATOM 0 HD3 PRO A 97 -13.528 11.582 9.116 1.00 0.43 H new ATOM 1603 N ALA A 98 -14.444 10.652 4.753 1.00 0.83 N ATOM 1604 CA ALA A 98 -14.652 10.733 3.318 1.00 1.04 C ATOM 1605 C ALA A 98 -13.623 9.913 2.530 1.00 1.01 C ATOM 1606 O ALA A 98 -13.887 9.570 1.378 1.00 1.15 O ATOM 1607 CB ALA A 98 -14.594 12.204 2.900 1.00 1.20 C ATOM 0 H ALA A 98 -14.155 11.534 5.175 1.00 0.83 H new ATOM 0 HA ALA A 98 -15.629 10.308 3.087 1.00 1.04 H new ATOM 0 HB1 ALA A 98 -14.748 12.283 1.824 1.00 1.20 H new ATOM 0 HB2 ALA A 98 -15.373 12.761 3.420 1.00 1.20 H new ATOM 0 HB3 ALA A 98 -13.619 12.617 3.158 1.00 1.20 H new ATOM 1613 N THR A 99 -12.451 9.629 3.109 1.00 0.87 N ATOM 1614 CA THR A 99 -11.464 8.771 2.471 1.00 0.77 C ATOM 1615 C THR A 99 -11.978 7.334 2.480 1.00 0.69 C ATOM 1616 O THR A 99 -12.826 6.995 3.304 1.00 0.81 O ATOM 1617 CB THR A 99 -10.101 8.908 3.173 1.00 0.75 C ATOM 1618 OG1 THR A 99 -9.071 8.718 2.230 1.00 0.77 O ATOM 1619 CG2 THR A 99 -9.888 7.896 4.303 1.00 0.65 C ATOM 0 H THR A 99 -12.168 9.986 4.022 1.00 0.87 H new ATOM 0 HA THR A 99 -11.315 9.074 1.435 1.00 0.77 H new ATOM 0 HB THR A 99 -10.083 9.906 3.610 1.00 0.75 H new ATOM 0 HG1 THR A 99 -9.271 9.232 1.420 1.00 0.77 H new ATOM 0 HG21 THR A 99 -8.907 8.052 4.751 1.00 0.65 H new ATOM 0 HG22 THR A 99 -10.659 8.030 5.062 1.00 0.65 H new ATOM 0 HG23 THR A 99 -9.946 6.884 3.901 1.00 0.65 H new ATOM 1627 N LYS A 100 -11.461 6.487 1.589 1.00 0.55 N ATOM 1628 CA LYS A 100 -11.877 5.097 1.431 1.00 0.44 C ATOM 1629 C LYS A 100 -10.684 4.288 0.934 1.00 0.28 C ATOM 1630 O LYS A 100 -9.597 4.831 0.732 1.00 0.26 O ATOM 1631 CB LYS A 100 -13.012 5.012 0.404 1.00 0.63 C ATOM 1632 CG LYS A 100 -14.379 5.439 0.940 1.00 1.59 C ATOM 1633 CD LYS A 100 -14.968 6.479 -0.008 1.00 1.80 C ATOM 1634 CE LYS A 100 -16.452 6.655 0.279 1.00 2.52 C ATOM 1635 NZ LYS A 100 -17.001 7.755 -0.533 1.00 3.26 N ATOM 0 H LYS A 100 -10.722 6.758 0.941 1.00 0.55 H new ATOM 0 HA LYS A 100 -12.228 4.703 2.385 1.00 0.44 H new ATOM 0 HB2 LYS A 100 -12.759 5.637 -0.452 1.00 0.63 H new ATOM 0 HB3 LYS A 100 -13.081 3.987 0.041 1.00 0.63 H new ATOM 0 HG2 LYS A 100 -15.042 4.577 1.016 1.00 1.59 H new ATOM 0 HG3 LYS A 100 -14.280 5.854 1.943 1.00 1.59 H new ATOM 0 HD2 LYS A 100 -14.449 7.430 0.113 1.00 1.80 H new ATOM 0 HD3 LYS A 100 -14.823 6.166 -1.042 1.00 1.80 H new ATOM 0 HE2 LYS A 100 -16.985 5.730 0.059 1.00 2.52 H new ATOM 0 HE3 LYS A 100 -16.603 6.865 1.338 1.00 2.52 H new ATOM 0 HZ1 LYS A 100 -18.015 7.865 -0.328 1.00 3.26 H new ATOM 0 HZ2 LYS A 100 -16.503 8.639 -0.303 1.00 3.26 H new ATOM 0 HZ3 LYS A 100 -16.873 7.539 -1.542 1.00 3.26 H new ATOM 1649 N THR A 101 -10.872 2.987 0.738 1.00 0.27 N ATOM 1650 CA THR A 101 -9.810 2.099 0.307 1.00 0.22 C ATOM 1651 C THR A 101 -9.218 2.483 -1.038 1.00 0.18 C ATOM 1652 O THR A 101 -8.039 2.228 -1.242 1.00 0.23 O ATOM 1653 CB THR A 101 -10.313 0.665 0.209 1.00 0.31 C ATOM 1654 OG1 THR A 101 -11.697 0.671 -0.067 1.00 0.48 O ATOM 1655 CG2 THR A 101 -10.068 -0.089 1.507 1.00 0.33 C ATOM 0 H THR A 101 -11.769 2.522 0.875 1.00 0.27 H new ATOM 0 HA THR A 101 -9.030 2.188 1.063 1.00 0.22 H new ATOM 0 HB THR A 101 -9.770 0.165 -0.593 1.00 0.31 H new ATOM 0 HG1 THR A 101 -11.981 -0.227 -0.337 1.00 0.48 H new ATOM 0 HG21 THR A 101 -10.437 -1.110 1.410 1.00 0.33 H new ATOM 0 HG22 THR A 101 -8.999 -0.108 1.721 1.00 0.33 H new ATOM 0 HG23 THR A 101 -10.592 0.410 2.322 1.00 0.33 H new ATOM 1663 N ASP A 102 -9.984 3.071 -1.957 1.00 0.17 N ATOM 1664 CA ASP A 102 -9.418 3.555 -3.211 1.00 0.19 C ATOM 1665 C ASP A 102 -8.314 4.558 -2.902 1.00 0.19 C ATOM 1666 O ASP A 102 -7.219 4.456 -3.445 1.00 0.24 O ATOM 1667 CB ASP A 102 -10.500 4.149 -4.124 1.00 0.30 C ATOM 1668 CG ASP A 102 -11.052 5.456 -3.563 1.00 0.88 C ATOM 1669 OD1 ASP A 102 -11.484 5.404 -2.391 1.00 2.07 O ATOM 1670 OD2 ASP A 102 -10.970 6.494 -4.252 1.00 1.75 O ATOM 0 H ASP A 102 -10.988 3.222 -1.857 1.00 0.17 H new ATOM 0 HA ASP A 102 -8.986 2.718 -3.760 1.00 0.19 H new ATOM 0 HB2 ASP A 102 -10.084 4.325 -5.116 1.00 0.30 H new ATOM 0 HB3 ASP A 102 -11.312 3.431 -4.242 1.00 0.30 H new ATOM 1675 N GLN A 103 -8.579 5.482 -1.979 1.00 0.19 N ATOM 1676 CA GLN A 103 -7.641 6.514 -1.568 1.00 0.19 C ATOM 1677 C GLN A 103 -6.457 5.914 -0.839 1.00 0.18 C ATOM 1678 O GLN A 103 -5.342 6.412 -0.991 1.00 0.23 O ATOM 1679 CB GLN A 103 -8.341 7.590 -0.737 1.00 0.21 C ATOM 1680 CG GLN A 103 -9.617 8.025 -1.469 1.00 0.23 C ATOM 1681 CD GLN A 103 -10.248 9.298 -0.926 1.00 0.34 C ATOM 1682 OE1 GLN A 103 -9.644 10.063 -0.179 1.00 0.97 O ATOM 1683 NE2 GLN A 103 -11.518 9.503 -1.240 1.00 1.39 N ATOM 0 H GLN A 103 -9.472 5.531 -1.489 1.00 0.19 H new ATOM 0 HA GLN A 103 -7.254 7.000 -2.464 1.00 0.19 H new ATOM 0 HB2 GLN A 103 -8.586 7.203 0.252 1.00 0.21 H new ATOM 0 HB3 GLN A 103 -7.680 8.444 -0.591 1.00 0.21 H new ATOM 0 HG2 GLN A 103 -9.385 8.170 -2.524 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -10.348 7.218 -1.411 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -12.000 8.855 -1.862 1.00 1.39 H new ATOM 0 HE22 GLN A 103 -12.014 10.309 -0.859 1.00 1.39 H new ATOM 1692 N VAL A 104 -6.672 4.847 -0.070 1.00 0.16 N ATOM 1693 CA VAL A 104 -5.585 4.224 0.656 1.00 0.15 C ATOM 1694 C VAL A 104 -4.635 3.547 -0.328 1.00 0.16 C ATOM 1695 O VAL A 104 -3.443 3.846 -0.355 1.00 0.17 O ATOM 1696 CB VAL A 104 -6.165 3.269 1.707 1.00 0.15 C ATOM 1697 CG1 VAL A 104 -5.052 2.458 2.351 1.00 0.15 C ATOM 1698 CG2 VAL A 104 -6.855 4.090 2.798 1.00 0.18 C ATOM 0 H VAL A 104 -7.582 4.405 0.061 1.00 0.16 H new ATOM 0 HA VAL A 104 -4.994 4.966 1.194 1.00 0.15 H new ATOM 0 HB VAL A 104 -6.873 2.597 1.222 1.00 0.15 H new ATOM 0 HG11 VAL A 104 -5.477 1.784 3.095 1.00 0.15 H new ATOM 0 HG12 VAL A 104 -4.537 1.876 1.587 1.00 0.15 H new ATOM 0 HG13 VAL A 104 -4.344 3.131 2.834 1.00 0.15 H new ATOM 0 HG21 VAL A 104 -7.271 3.419 3.550 1.00 0.18 H new ATOM 0 HG22 VAL A 104 -6.130 4.755 3.266 1.00 0.18 H new ATOM 0 HG23 VAL A 104 -7.657 4.681 2.356 1.00 0.18 H new ATOM 1708 N ILE A 105 -5.163 2.641 -1.145 1.00 0.15 N ATOM 1709 CA ILE A 105 -4.401 1.818 -2.069 1.00 0.16 C ATOM 1710 C ILE A 105 -3.671 2.707 -3.056 1.00 0.18 C ATOM 1711 O ILE A 105 -2.464 2.555 -3.239 1.00 0.19 O ATOM 1712 CB ILE A 105 -5.343 0.819 -2.763 1.00 0.17 C ATOM 1713 CG1 ILE A 105 -5.636 -0.353 -1.815 1.00 0.17 C ATOM 1714 CG2 ILE A 105 -4.816 0.285 -4.103 1.00 0.17 C ATOM 1715 CD1 ILE A 105 -4.381 -1.105 -1.339 1.00 0.19 C ATOM 0 H ILE A 105 -6.165 2.456 -1.181 1.00 0.15 H new ATOM 0 HA ILE A 105 -3.648 1.240 -1.533 1.00 0.16 H new ATOM 0 HB ILE A 105 -6.254 1.369 -2.996 1.00 0.17 H new ATOM 0 HG12 ILE A 105 -6.173 0.024 -0.944 1.00 0.17 H new ATOM 0 HG13 ILE A 105 -6.299 -1.057 -2.319 1.00 0.17 H new ATOM 0 HG21 ILE A 105 -5.539 -0.412 -4.526 1.00 0.17 H new ATOM 0 HG22 ILE A 105 -4.667 1.116 -4.792 1.00 0.17 H new ATOM 0 HG23 ILE A 105 -3.868 -0.228 -3.943 1.00 0.17 H new ATOM 0 HD11 ILE A 105 -4.674 -1.917 -0.674 1.00 0.19 H new ATOM 0 HD12 ILE A 105 -3.853 -1.514 -2.201 1.00 0.19 H new ATOM 0 HD13 ILE A 105 -3.725 -0.417 -0.805 1.00 0.19 H new ATOM 1727 N GLN A 106 -4.388 3.642 -3.682 1.00 0.18 N ATOM 1728 CA GLN A 106 -3.755 4.565 -4.609 1.00 0.21 C ATOM 1729 C GLN A 106 -2.653 5.346 -3.902 1.00 0.19 C ATOM 1730 O GLN A 106 -1.679 5.684 -4.548 1.00 0.21 O ATOM 1731 CB GLN A 106 -4.769 5.470 -5.323 1.00 0.29 C ATOM 1732 CG GLN A 106 -5.358 6.575 -4.439 1.00 0.56 C ATOM 1733 CD GLN A 106 -4.478 7.816 -4.312 1.00 1.20 C ATOM 1734 OE1 GLN A 106 -4.033 8.385 -5.299 1.00 1.86 O ATOM 1735 NE2 GLN A 106 -4.222 8.268 -3.091 1.00 2.07 N ATOM 0 H GLN A 106 -5.392 3.775 -3.563 1.00 0.18 H new ATOM 0 HA GLN A 106 -3.289 3.982 -5.404 1.00 0.21 H new ATOM 0 HB2 GLN A 106 -4.285 5.929 -6.185 1.00 0.29 H new ATOM 0 HB3 GLN A 106 -5.583 4.854 -5.705 1.00 0.29 H new ATOM 0 HG2 GLN A 106 -6.326 6.871 -4.844 1.00 0.56 H new ATOM 0 HG3 GLN A 106 -5.539 6.169 -3.444 1.00 0.56 H new ATOM 0 HE21 GLN A 106 -4.600 7.782 -2.278 1.00 2.07 H new ATOM 0 HE22 GLN A 106 -3.647 9.101 -2.966 1.00 2.07 H new ATOM 1744 N SER A 107 -2.766 5.609 -2.595 1.00 0.17 N ATOM 1745 CA SER A 107 -1.685 6.196 -1.825 1.00 0.17 C ATOM 1746 C SER A 107 -0.479 5.273 -1.848 1.00 0.16 C ATOM 1747 O SER A 107 0.590 5.716 -2.245 1.00 0.19 O ATOM 1748 CB SER A 107 -2.097 6.495 -0.380 1.00 0.20 C ATOM 1749 OG SER A 107 -1.580 7.745 0.028 1.00 0.36 O ATOM 0 H SER A 107 -3.608 5.419 -2.052 1.00 0.17 H new ATOM 0 HA SER A 107 -1.429 7.149 -2.288 1.00 0.17 H new ATOM 0 HB2 SER A 107 -3.184 6.499 -0.298 1.00 0.20 H new ATOM 0 HB3 SER A 107 -1.730 5.709 0.280 1.00 0.20 H new ATOM 0 HG SER A 107 -1.268 7.683 0.955 1.00 0.36 H new ATOM 1755 N LEU A 108 -0.598 4.000 -1.445 1.00 0.17 N ATOM 1756 CA LEU A 108 0.589 3.153 -1.438 1.00 0.17 C ATOM 1757 C LEU A 108 1.224 3.125 -2.814 1.00 0.18 C ATOM 1758 O LEU A 108 2.432 3.226 -2.912 1.00 0.23 O ATOM 1759 CB LEU A 108 0.335 1.702 -1.034 1.00 0.18 C ATOM 1760 CG LEU A 108 -0.022 1.421 0.426 1.00 0.21 C ATOM 1761 CD1 LEU A 108 0.541 2.456 1.393 1.00 0.17 C ATOM 1762 CD2 LEU A 108 -1.524 1.258 0.607 1.00 0.30 C ATOM 0 H LEU A 108 -1.462 3.556 -1.135 1.00 0.17 H new ATOM 0 HA LEU A 108 1.239 3.602 -0.687 1.00 0.17 H new ATOM 0 HB2 LEU A 108 -0.473 1.317 -1.656 1.00 0.18 H new ATOM 0 HB3 LEU A 108 1.227 1.125 -1.278 1.00 0.18 H new ATOM 0 HG LEU A 108 0.459 0.476 0.678 1.00 0.21 H new ATOM 0 HD11 LEU A 108 0.251 2.198 2.412 1.00 0.17 H new ATOM 0 HD12 LEU A 108 1.628 2.471 1.318 1.00 0.17 H new ATOM 0 HD13 LEU A 108 0.147 3.441 1.142 1.00 0.17 H new ATOM 0 HD21 LEU A 108 -1.745 1.059 1.656 1.00 0.30 H new ATOM 0 HD22 LEU A 108 -2.029 2.173 0.297 1.00 0.30 H new ATOM 0 HD23 LEU A 108 -1.876 0.425 -0.002 1.00 0.30 H new ATOM 1774 N ILE A 109 0.452 2.978 -3.882 1.00 0.17 N ATOM 1775 CA ILE A 109 1.028 2.931 -5.219 1.00 0.18 C ATOM 1776 C ILE A 109 1.683 4.264 -5.549 1.00 0.20 C ATOM 1777 O ILE A 109 2.763 4.290 -6.122 1.00 0.31 O ATOM 1778 CB ILE A 109 -0.069 2.568 -6.219 1.00 0.21 C ATOM 1779 CG1 ILE A 109 -0.462 1.113 -5.940 1.00 0.21 C ATOM 1780 CG2 ILE A 109 0.393 2.693 -7.677 1.00 0.24 C ATOM 1781 CD1 ILE A 109 -1.932 0.885 -6.268 1.00 0.22 C ATOM 0 H ILE A 109 -0.564 2.890 -3.851 1.00 0.17 H new ATOM 0 HA ILE A 109 1.805 2.168 -5.272 1.00 0.18 H new ATOM 0 HB ILE A 109 -0.904 3.258 -6.095 1.00 0.21 H new ATOM 0 HG12 ILE A 109 0.158 0.442 -6.535 1.00 0.21 H new ATOM 0 HG13 ILE A 109 -0.276 0.874 -4.893 1.00 0.21 H new ATOM 0 HG21 ILE A 109 -0.427 2.423 -8.343 1.00 0.24 H new ATOM 0 HG22 ILE A 109 0.698 3.721 -7.875 1.00 0.24 H new ATOM 0 HG23 ILE A 109 1.236 2.024 -7.850 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -2.194 -0.153 -6.064 1.00 0.22 H new ATOM 0 HD12 ILE A 109 -2.548 1.542 -5.654 1.00 0.22 H new ATOM 0 HD13 ILE A 109 -2.108 1.103 -7.321 1.00 0.22 H new ATOM 1793 N ALA A 110 1.030 5.367 -5.202 1.00 0.17 N ATOM 1794 CA ALA A 110 1.467 6.715 -5.505 1.00 0.19 C ATOM 1795 C ALA A 110 2.789 7.012 -4.818 1.00 0.17 C ATOM 1796 O ALA A 110 3.615 7.714 -5.380 1.00 0.19 O ATOM 1797 CB ALA A 110 0.383 7.713 -5.075 1.00 0.21 C ATOM 0 H ALA A 110 0.152 5.341 -4.684 1.00 0.17 H new ATOM 0 HA ALA A 110 1.624 6.811 -6.579 1.00 0.19 H new ATOM 0 HB1 ALA A 110 0.711 8.727 -5.303 1.00 0.21 H new ATOM 0 HB2 ALA A 110 -0.541 7.501 -5.613 1.00 0.21 H new ATOM 0 HB3 ALA A 110 0.208 7.620 -4.003 1.00 0.21 H new ATOM 1803 N LEU A 111 2.994 6.493 -3.610 1.00 0.16 N ATOM 1804 CA LEU A 111 4.165 6.748 -2.791 1.00 0.17 C ATOM 1805 C LEU A 111 5.289 5.755 -3.098 1.00 0.20 C ATOM 1806 O LEU A 111 6.462 6.109 -3.157 1.00 0.37 O ATOM 1807 CB LEU A 111 3.741 6.674 -1.314 1.00 0.18 C ATOM 1808 CG LEU A 111 3.180 7.973 -0.698 1.00 0.21 C ATOM 1809 CD1 LEU A 111 3.699 9.256 -1.344 1.00 0.31 C ATOM 1810 CD2 LEU A 111 1.654 8.018 -0.711 1.00 0.28 C ATOM 0 H LEU A 111 2.326 5.864 -3.165 1.00 0.16 H new ATOM 0 HA LEU A 111 4.561 7.739 -3.013 1.00 0.17 H new ATOM 0 HB2 LEU A 111 2.986 5.894 -1.213 1.00 0.18 H new ATOM 0 HB3 LEU A 111 4.604 6.361 -0.726 1.00 0.18 H new ATOM 0 HG LEU A 111 3.546 7.939 0.328 1.00 0.21 H new ATOM 0 HD11 LEU A 111 3.253 10.119 -0.849 1.00 0.31 H new ATOM 0 HD12 LEU A 111 4.783 9.301 -1.244 1.00 0.31 H new ATOM 0 HD13 LEU A 111 3.431 9.265 -2.401 1.00 0.31 H new ATOM 0 HD21 LEU A 111 1.314 8.953 -0.266 1.00 0.28 H new ATOM 0 HD22 LEU A 111 1.297 7.954 -1.739 1.00 0.28 H new ATOM 0 HD23 LEU A 111 1.260 7.179 -0.137 1.00 0.28 H new ATOM 1822 N VAL A 112 4.954 4.478 -3.245 1.00 0.21 N ATOM 1823 CA VAL A 112 5.883 3.424 -3.628 1.00 0.22 C ATOM 1824 C VAL A 112 6.446 3.756 -5.014 1.00 0.27 C ATOM 1825 O VAL A 112 7.629 3.539 -5.274 1.00 0.39 O ATOM 1826 CB VAL A 112 5.161 2.062 -3.563 1.00 0.21 C ATOM 1827 CG1 VAL A 112 6.007 0.886 -4.049 1.00 0.31 C ATOM 1828 CG2 VAL A 112 4.788 1.702 -2.116 1.00 0.20 C ATOM 0 H VAL A 112 4.003 4.140 -3.097 1.00 0.21 H new ATOM 0 HA VAL A 112 6.728 3.358 -2.942 1.00 0.22 H new ATOM 0 HB VAL A 112 4.294 2.197 -4.210 1.00 0.21 H new ATOM 0 HG11 VAL A 112 5.429 -0.035 -3.972 1.00 0.31 H new ATOM 0 HG12 VAL A 112 6.293 1.049 -5.088 1.00 0.31 H new ATOM 0 HG13 VAL A 112 6.903 0.804 -3.434 1.00 0.31 H new ATOM 0 HG21 VAL A 112 4.281 0.737 -2.100 1.00 0.20 H new ATOM 0 HG22 VAL A 112 5.692 1.646 -1.510 1.00 0.20 H new ATOM 0 HG23 VAL A 112 4.126 2.467 -1.710 1.00 0.20 H new ATOM 1838 N ASN A 113 5.619 4.302 -5.903 1.00 0.24 N ATOM 1839 CA ASN A 113 6.084 4.792 -7.189 1.00 0.27 C ATOM 1840 C ASN A 113 6.817 6.115 -7.016 1.00 0.29 C ATOM 1841 O ASN A 113 7.911 6.276 -7.547 1.00 0.37 O ATOM 1842 CB ASN A 113 4.929 4.938 -8.192 1.00 0.34 C ATOM 1843 CG ASN A 113 4.497 3.593 -8.764 1.00 1.02 C ATOM 1844 OD1 ASN A 113 5.266 2.638 -8.766 1.00 2.16 O ATOM 1845 ND2 ASN A 113 3.298 3.503 -9.321 1.00 1.48 N ATOM 0 H ASN A 113 4.617 4.415 -5.750 1.00 0.24 H new ATOM 0 HA ASN A 113 6.777 4.056 -7.596 1.00 0.27 H new ATOM 0 HB2 ASN A 113 4.080 5.413 -7.701 1.00 0.34 H new ATOM 0 HB3 ASN A 113 5.236 5.596 -9.005 1.00 0.34 H new ATOM 0 HD21 ASN A 113 3.004 2.630 -9.759 1.00 1.48 H new ATOM 0 HD22 ASN A 113 2.670 4.306 -9.311 1.00 1.48 H new ATOM 1852 N ASP A 114 6.206 7.063 -6.304 1.00 0.26 N ATOM 1853 CA ASP A 114 6.661 8.446 -6.231 1.00 0.33 C ATOM 1854 C ASP A 114 6.816 8.859 -4.758 1.00 0.29 C ATOM 1855 O ASP A 114 5.917 9.443 -4.152 1.00 0.29 O ATOM 1856 CB ASP A 114 5.694 9.343 -7.027 1.00 0.43 C ATOM 1857 CG ASP A 114 6.442 10.453 -7.761 1.00 0.72 C ATOM 1858 OD1 ASP A 114 7.507 10.869 -7.253 1.00 0.86 O ATOM 1859 OD2 ASP A 114 5.955 10.845 -8.844 1.00 1.54 O ATOM 0 H ASP A 114 5.366 6.885 -5.753 1.00 0.26 H new ATOM 0 HA ASP A 114 7.643 8.561 -6.689 1.00 0.33 H new ATOM 0 HB2 ASP A 114 5.141 8.738 -7.745 1.00 0.43 H new ATOM 0 HB3 ASP A 114 4.961 9.782 -6.350 1.00 0.43 H new ATOM 1864 N PRO A 115 7.937 8.489 -4.124 1.00 0.30 N ATOM 1865 CA PRO A 115 8.128 8.672 -2.693 1.00 0.27 C ATOM 1866 C PRO A 115 8.306 10.148 -2.348 1.00 0.31 C ATOM 1867 O PRO A 115 8.845 10.916 -3.143 1.00 0.49 O ATOM 1868 CB PRO A 115 9.374 7.853 -2.341 1.00 0.38 C ATOM 1869 CG PRO A 115 10.142 7.789 -3.658 1.00 0.45 C ATOM 1870 CD PRO A 115 9.032 7.735 -4.703 1.00 0.37 C ATOM 0 HA PRO A 115 7.262 8.339 -2.121 1.00 0.27 H new ATOM 0 HB2 PRO A 115 9.961 8.332 -1.557 1.00 0.38 H new ATOM 0 HB3 PRO A 115 9.112 6.858 -1.980 1.00 0.38 H new ATOM 0 HG2 PRO A 115 10.782 8.661 -3.794 1.00 0.45 H new ATOM 0 HG3 PRO A 115 10.785 6.910 -3.707 1.00 0.45 H new ATOM 0 HD2 PRO A 115 9.357 8.172 -5.647 1.00 0.37 H new ATOM 0 HD3 PRO A 115 8.736 6.707 -4.913 1.00 0.37 H new ATOM 1878 N GLN A 116 7.908 10.541 -1.134 1.00 0.28 N ATOM 1879 CA GLN A 116 7.936 11.939 -0.721 1.00 0.36 C ATOM 1880 C GLN A 116 9.040 12.183 0.316 1.00 0.37 C ATOM 1881 O GLN A 116 8.774 12.123 1.512 1.00 0.53 O ATOM 1882 CB GLN A 116 6.543 12.382 -0.230 1.00 0.44 C ATOM 1883 CG GLN A 116 5.864 11.427 0.775 1.00 2.04 C ATOM 1884 CD GLN A 116 4.541 11.960 1.330 1.00 2.24 C ATOM 1885 OE1 GLN A 116 4.117 11.568 2.409 1.00 3.82 O ATOM 1886 NE2 GLN A 116 3.840 12.831 0.614 1.00 1.95 N ATOM 0 H GLN A 116 7.561 9.902 -0.419 1.00 0.28 H new ATOM 0 HA GLN A 116 8.182 12.560 -1.582 1.00 0.36 H new ATOM 0 HB2 GLN A 116 6.634 13.365 0.233 1.00 0.44 H new ATOM 0 HB3 GLN A 116 5.890 12.496 -1.095 1.00 0.44 H new ATOM 0 HG2 GLN A 116 5.684 10.469 0.288 1.00 2.04 H new ATOM 0 HG3 GLN A 116 6.547 11.240 1.604 1.00 2.04 H new ATOM 0 HE21 GLN A 116 4.196 13.156 -0.285 1.00 1.95 H new ATOM 0 HE22 GLN A 116 2.945 13.175 0.963 1.00 1.95 H new ATOM 1895 N PRO A 117 10.276 12.516 -0.096 1.00 0.33 N ATOM 1896 CA PRO A 117 11.381 12.756 0.827 1.00 0.36 C ATOM 1897 C PRO A 117 11.240 14.058 1.627 1.00 0.45 C ATOM 1898 O PRO A 117 12.098 14.343 2.453 1.00 0.69 O ATOM 1899 CB PRO A 117 12.652 12.725 -0.032 1.00 0.43 C ATOM 1900 CG PRO A 117 12.145 13.219 -1.386 1.00 0.46 C ATOM 1901 CD PRO A 117 10.744 12.612 -1.470 1.00 0.37 C ATOM 0 HA PRO A 117 11.405 11.990 1.602 1.00 0.36 H new ATOM 0 HB2 PRO A 117 13.431 13.373 0.371 1.00 0.43 H new ATOM 0 HB3 PRO A 117 13.074 11.722 -0.097 1.00 0.43 H new ATOM 0 HG2 PRO A 117 12.117 14.308 -1.434 1.00 0.46 H new ATOM 0 HG3 PRO A 117 12.781 12.880 -2.204 1.00 0.46 H new ATOM 0 HD2 PRO A 117 10.081 13.238 -2.067 1.00 0.37 H new ATOM 0 HD3 PRO A 117 10.770 11.631 -1.945 1.00 0.37 H new ATOM 1909 N GLU A 118 10.158 14.816 1.425 1.00 0.43 N ATOM 1910 CA GLU A 118 9.773 15.971 2.229 1.00 0.51 C ATOM 1911 C GLU A 118 9.706 15.572 3.707 1.00 0.44 C ATOM 1912 O GLU A 118 10.440 16.087 4.544 1.00 0.57 O ATOM 1913 CB GLU A 118 8.409 16.473 1.710 1.00 0.58 C ATOM 1914 CG GLU A 118 8.343 17.982 1.488 1.00 1.91 C ATOM 1915 CD GLU A 118 8.346 18.790 2.787 1.00 2.91 C ATOM 1916 OE1 GLU A 118 9.462 19.080 3.266 1.00 4.30 O ATOM 1917 OE2 GLU A 118 7.242 19.129 3.268 1.00 3.51 O ATOM 0 H GLU A 118 9.503 14.631 0.666 1.00 0.43 H new ATOM 0 HA GLU A 118 10.506 16.773 2.144 1.00 0.51 H new ATOM 0 HB2 GLU A 118 8.182 15.968 0.771 1.00 0.58 H new ATOM 0 HB3 GLU A 118 7.634 16.187 2.421 1.00 0.58 H new ATOM 0 HG2 GLU A 118 9.192 18.289 0.876 1.00 1.91 H new ATOM 0 HG3 GLU A 118 7.441 18.219 0.924 1.00 1.91 H new ATOM 1924 N HIS A 119 8.816 14.631 4.033 1.00 0.32 N ATOM 1925 CA HIS A 119 8.591 14.213 5.410 1.00 0.35 C ATOM 1926 C HIS A 119 7.897 12.846 5.458 1.00 0.33 C ATOM 1927 O HIS A 119 6.749 12.743 5.884 1.00 0.39 O ATOM 1928 CB HIS A 119 7.787 15.303 6.144 1.00 0.45 C ATOM 1929 CG HIS A 119 6.624 15.906 5.384 1.00 1.00 C ATOM 1930 ND1 HIS A 119 6.227 17.221 5.463 1.00 2.28 N ATOM 1931 CD2 HIS A 119 5.825 15.301 4.446 1.00 2.23 C ATOM 1932 CE1 HIS A 119 5.211 17.396 4.602 1.00 2.41 C ATOM 1933 NE2 HIS A 119 4.917 16.249 3.969 1.00 2.34 N ATOM 0 H HIS A 119 8.236 14.143 3.350 1.00 0.32 H new ATOM 0 HA HIS A 119 9.547 14.093 5.920 1.00 0.35 H new ATOM 0 HB2 HIS A 119 7.406 14.879 7.073 1.00 0.45 H new ATOM 0 HB3 HIS A 119 8.471 16.107 6.417 1.00 0.45 H new ATOM 0 HD2 HIS A 119 5.888 14.270 4.131 1.00 2.23 H new ATOM 0 HE1 HIS A 119 4.699 18.333 4.441 1.00 2.41 H new ATOM 0 HE2 HIS A 119 4.180 16.100 3.280 1.00 2.34 H new ATOM 1941 N PRO A 120 8.569 11.784 5.000 1.00 0.27 N ATOM 1942 CA PRO A 120 8.017 10.442 4.996 1.00 0.25 C ATOM 1943 C PRO A 120 8.280 9.749 6.341 1.00 0.27 C ATOM 1944 O PRO A 120 8.849 10.343 7.255 1.00 0.32 O ATOM 1945 CB PRO A 120 8.758 9.760 3.852 1.00 0.23 C ATOM 1946 CG PRO A 120 10.152 10.367 3.957 1.00 0.24 C ATOM 1947 CD PRO A 120 9.906 11.795 4.435 1.00 0.24 C ATOM 0 HA PRO A 120 6.936 10.415 4.863 1.00 0.25 H new ATOM 0 HB2 PRO A 120 8.777 8.676 3.969 1.00 0.23 H new ATOM 0 HB3 PRO A 120 8.296 9.968 2.887 1.00 0.23 H new ATOM 0 HG2 PRO A 120 10.775 9.814 4.660 1.00 0.24 H new ATOM 0 HG3 PRO A 120 10.666 10.352 2.996 1.00 0.24 H new ATOM 0 HD2 PRO A 120 10.645 12.094 5.179 1.00 0.24 H new ATOM 0 HD3 PRO A 120 9.979 12.504 3.610 1.00 0.24 H new ATOM 1955 N LEU A 121 7.889 8.476 6.459 1.00 0.24 N ATOM 1956 CA LEU A 121 8.006 7.702 7.693 1.00 0.27 C ATOM 1957 C LEU A 121 9.460 7.589 8.136 1.00 0.29 C ATOM 1958 O LEU A 121 9.810 7.896 9.273 1.00 0.37 O ATOM 1959 CB LEU A 121 7.412 6.294 7.497 1.00 0.24 C ATOM 1960 CG LEU A 121 6.250 6.043 8.458 1.00 0.22 C ATOM 1961 CD1 LEU A 121 5.584 4.717 8.109 1.00 0.54 C ATOM 1962 CD2 LEU A 121 6.709 6.005 9.917 1.00 0.53 C ATOM 0 H LEU A 121 7.477 7.950 5.688 1.00 0.24 H new ATOM 0 HA LEU A 121 7.449 8.225 8.470 1.00 0.27 H new ATOM 0 HB2 LEU A 121 7.067 6.182 6.469 1.00 0.24 H new ATOM 0 HB3 LEU A 121 8.187 5.544 7.657 1.00 0.24 H new ATOM 0 HG LEU A 121 5.546 6.868 8.350 1.00 0.22 H new ATOM 0 HD11 LEU A 121 4.755 4.535 8.793 1.00 0.54 H new ATOM 0 HD12 LEU A 121 5.209 4.756 7.086 1.00 0.54 H new ATOM 0 HD13 LEU A 121 6.311 3.910 8.198 1.00 0.54 H new ATOM 0 HD21 LEU A 121 5.851 5.824 10.564 1.00 0.53 H new ATOM 0 HD22 LEU A 121 7.437 5.205 10.049 1.00 0.53 H new ATOM 0 HD23 LEU A 121 7.167 6.959 10.179 1.00 0.53 H new ATOM 1974 N ARG A 122 10.309 7.112 7.228 1.00 0.26 N ATOM 1975 CA ARG A 122 11.738 7.019 7.442 1.00 0.28 C ATOM 1976 C ARG A 122 12.392 7.992 6.488 1.00 0.27 C ATOM 1977 O ARG A 122 12.695 7.630 5.352 1.00 0.27 O ATOM 1978 CB ARG A 122 12.227 5.590 7.185 1.00 0.30 C ATOM 1979 CG ARG A 122 11.977 4.663 8.382 1.00 0.32 C ATOM 1980 CD ARG A 122 13.292 4.077 8.921 1.00 0.54 C ATOM 1981 NE ARG A 122 14.202 5.106 9.464 1.00 1.08 N ATOM 1982 CZ ARG A 122 14.094 5.680 10.670 1.00 1.67 C ATOM 1983 NH1 ARG A 122 15.009 6.551 11.088 1.00 2.11 N ATOM 1984 NH2 ARG A 122 13.065 5.382 11.462 1.00 2.54 N ATOM 0 H ARG A 122 10.012 6.776 6.312 1.00 0.26 H new ATOM 0 HA ARG A 122 11.994 7.264 8.473 1.00 0.28 H new ATOM 0 HB2 ARG A 122 11.722 5.189 6.306 1.00 0.30 H new ATOM 0 HB3 ARG A 122 13.293 5.609 6.960 1.00 0.30 H new ATOM 0 HG2 ARG A 122 11.472 5.216 9.174 1.00 0.32 H new ATOM 0 HG3 ARG A 122 11.311 3.853 8.084 1.00 0.32 H new ATOM 0 HD2 ARG A 122 13.067 3.350 9.702 1.00 0.54 H new ATOM 0 HD3 ARG A 122 13.798 3.538 8.120 1.00 0.54 H new ATOM 0 HE ARG A 122 14.977 5.404 8.872 1.00 1.08 H new ATOM 0 HH11 ARG A 122 15.800 6.786 10.489 1.00 2.11 H new ATOM 0 HH12 ARG A 122 14.919 6.983 12.007 1.00 2.11 H new ATOM 0 HH21 ARG A 122 12.358 4.716 11.151 1.00 2.54 H new ATOM 0 HH22 ARG A 122 12.984 5.820 12.380 1.00 2.54 H new ATOM 1998 N ALA A 123 12.640 9.212 6.965 1.00 0.28 N ATOM 1999 CA ALA A 123 13.374 10.205 6.202 1.00 0.28 C ATOM 2000 C ALA A 123 14.656 9.596 5.646 1.00 0.28 C ATOM 2001 O ALA A 123 14.937 9.815 4.481 1.00 0.29 O ATOM 2002 CB ALA A 123 13.649 11.444 7.058 1.00 0.30 C ATOM 0 H ALA A 123 12.338 9.532 7.885 1.00 0.28 H new ATOM 0 HA ALA A 123 12.768 10.528 5.355 1.00 0.28 H new ATOM 0 HB1 ALA A 123 14.200 12.178 6.470 1.00 0.30 H new ATOM 0 HB2 ALA A 123 12.704 11.877 7.385 1.00 0.30 H new ATOM 0 HB3 ALA A 123 14.239 11.160 7.929 1.00 0.30 H new ATOM 2008 N ASP A 124 15.381 8.782 6.421 1.00 0.30 N ATOM 2009 CA ASP A 124 16.605 8.101 5.983 1.00 0.34 C ATOM 2010 C ASP A 124 16.457 7.411 4.636 1.00 0.37 C ATOM 2011 O ASP A 124 17.251 7.654 3.737 1.00 0.37 O ATOM 2012 CB ASP A 124 17.017 7.025 6.994 1.00 0.46 C ATOM 2013 CG ASP A 124 17.633 7.615 8.248 1.00 1.20 C ATOM 2014 OD1 ASP A 124 18.783 8.088 8.168 1.00 2.15 O ATOM 2015 OD2 ASP A 124 16.920 7.564 9.275 1.00 2.41 O ATOM 0 H ASP A 124 15.129 8.574 7.387 1.00 0.30 H new ATOM 0 HA ASP A 124 17.357 8.886 5.901 1.00 0.34 H new ATOM 0 HB2 ASP A 124 16.144 6.432 7.266 1.00 0.46 H new ATOM 0 HB3 ASP A 124 17.730 6.346 6.527 1.00 0.46 H new ATOM 2020 N LEU A 125 15.468 6.533 4.466 1.00 0.37 N ATOM 2021 CA LEU A 125 15.273 5.839 3.197 1.00 0.37 C ATOM 2022 C LEU A 125 15.074 6.860 2.068 1.00 0.36 C ATOM 2023 O LEU A 125 15.451 6.624 0.924 1.00 0.41 O ATOM 2024 CB LEU A 125 14.076 4.884 3.313 1.00 0.38 C ATOM 2025 CG LEU A 125 14.441 3.494 3.846 1.00 0.61 C ATOM 2026 CD1 LEU A 125 15.094 3.535 5.228 1.00 2.09 C ATOM 2027 CD2 LEU A 125 13.163 2.653 3.923 1.00 2.40 C ATOM 0 H LEU A 125 14.793 6.287 5.190 1.00 0.37 H new ATOM 0 HA LEU A 125 16.157 5.248 2.958 1.00 0.37 H new ATOM 0 HB2 LEU A 125 13.330 5.330 3.970 1.00 0.38 H new ATOM 0 HB3 LEU A 125 13.613 4.776 2.332 1.00 0.38 H new ATOM 0 HG LEU A 125 15.170 3.060 3.161 1.00 0.61 H new ATOM 0 HD11 LEU A 125 15.328 2.520 5.550 1.00 2.09 H new ATOM 0 HD12 LEU A 125 16.011 4.122 5.180 1.00 2.09 H new ATOM 0 HD13 LEU A 125 14.408 3.992 5.941 1.00 2.09 H new ATOM 0 HD21 LEU A 125 13.404 1.659 4.301 1.00 2.40 H new ATOM 0 HD22 LEU A 125 12.451 3.134 4.594 1.00 2.40 H new ATOM 0 HD23 LEU A 125 12.724 2.567 2.929 1.00 2.40 H new ATOM 2039 N ALA A 126 14.462 7.995 2.395 1.00 0.32 N ATOM 2040 CA ALA A 126 14.191 9.088 1.482 1.00 0.32 C ATOM 2041 C ALA A 126 15.450 9.900 1.193 1.00 0.34 C ATOM 2042 O ALA A 126 15.569 10.485 0.123 1.00 0.34 O ATOM 2043 CB ALA A 126 13.097 9.979 2.069 1.00 0.30 C ATOM 0 H ALA A 126 14.131 8.180 3.342 1.00 0.32 H new ATOM 0 HA ALA A 126 13.850 8.672 0.534 1.00 0.32 H new ATOM 0 HB1 ALA A 126 12.891 10.802 1.384 1.00 0.30 H new ATOM 0 HB2 ALA A 126 12.190 9.393 2.215 1.00 0.30 H new ATOM 0 HB3 ALA A 126 13.429 10.379 3.027 1.00 0.30 H new ATOM 2049 N GLU A 127 16.378 9.955 2.141 1.00 0.38 N ATOM 2050 CA GLU A 127 17.644 10.646 2.026 1.00 0.43 C ATOM 2051 C GLU A 127 18.525 9.853 1.087 1.00 0.44 C ATOM 2052 O GLU A 127 18.963 10.373 0.072 1.00 0.45 O ATOM 2053 CB GLU A 127 18.327 10.813 3.385 1.00 0.48 C ATOM 2054 CG GLU A 127 17.440 11.650 4.308 1.00 0.54 C ATOM 2055 CD GLU A 127 18.204 12.820 4.921 1.00 0.83 C ATOM 2056 OE1 GLU A 127 18.726 13.627 4.116 1.00 1.68 O ATOM 2057 OE2 GLU A 127 18.280 12.896 6.164 1.00 1.92 O ATOM 0 H GLU A 127 16.258 9.499 3.045 1.00 0.38 H new ATOM 0 HA GLU A 127 17.471 11.649 1.636 1.00 0.43 H new ATOM 0 HB2 GLU A 127 18.514 9.836 3.831 1.00 0.48 H new ATOM 0 HB3 GLU A 127 19.296 11.296 3.259 1.00 0.48 H new ATOM 0 HG2 GLU A 127 16.586 12.028 3.746 1.00 0.54 H new ATOM 0 HG3 GLU A 127 17.044 11.018 5.103 1.00 0.54 H new ATOM 2064 N GLU A 128 18.738 8.579 1.405 1.00 0.45 N ATOM 2065 CA GLU A 128 19.511 7.647 0.603 1.00 0.44 C ATOM 2066 C GLU A 128 18.938 7.614 -0.811 1.00 0.36 C ATOM 2067 O GLU A 128 19.680 7.563 -1.784 1.00 0.37 O ATOM 2068 CB GLU A 128 19.461 6.263 1.271 1.00 0.58 C ATOM 2069 CG GLU A 128 20.547 5.300 0.771 1.00 0.78 C ATOM 2070 CD GLU A 128 21.929 5.596 1.362 1.00 2.26 C ATOM 2071 OE1 GLU A 128 22.241 6.793 1.548 1.00 3.98 O ATOM 2072 OE2 GLU A 128 22.670 4.615 1.590 1.00 2.63 O ATOM 0 H GLU A 128 18.364 8.158 2.255 1.00 0.45 H new ATOM 0 HA GLU A 128 20.554 7.958 0.536 1.00 0.44 H new ATOM 0 HB2 GLU A 128 19.564 6.385 2.349 1.00 0.58 H new ATOM 0 HB3 GLU A 128 18.482 5.818 1.093 1.00 0.58 H new ATOM 0 HG2 GLU A 128 20.262 4.278 1.022 1.00 0.78 H new ATOM 0 HG3 GLU A 128 20.603 5.357 -0.316 1.00 0.78 H new ATOM 2079 N TYR A 129 17.613 7.703 -0.939 1.00 0.31 N ATOM 2080 CA TYR A 129 16.978 7.808 -2.248 1.00 0.27 C ATOM 2081 C TYR A 129 17.369 9.127 -2.914 1.00 0.27 C ATOM 2082 O TYR A 129 17.856 9.158 -4.039 1.00 0.31 O ATOM 2083 CB TYR A 129 15.455 7.715 -2.083 1.00 0.24 C ATOM 2084 CG TYR A 129 14.655 8.064 -3.323 1.00 0.74 C ATOM 2085 CD1 TYR A 129 13.900 9.252 -3.380 1.00 2.41 C ATOM 2086 CD2 TYR A 129 14.668 7.196 -4.426 1.00 2.02 C ATOM 2087 CE1 TYR A 129 13.156 9.563 -4.534 1.00 2.84 C ATOM 2088 CE2 TYR A 129 13.922 7.491 -5.579 1.00 2.36 C ATOM 2089 CZ TYR A 129 13.160 8.677 -5.638 1.00 2.06 C ATOM 2090 OH TYR A 129 12.452 8.966 -6.767 1.00 2.70 O ATOM 0 H TYR A 129 16.963 7.704 -0.153 1.00 0.31 H new ATOM 0 HA TYR A 129 17.315 6.990 -2.885 1.00 0.27 H new ATOM 0 HB2 TYR A 129 15.199 6.701 -1.777 1.00 0.24 H new ATOM 0 HB3 TYR A 129 15.151 8.379 -1.274 1.00 0.24 H new ATOM 0 HD1 TYR A 129 13.892 9.926 -2.536 1.00 2.41 H new ATOM 0 HD2 TYR A 129 15.258 6.292 -4.388 1.00 2.02 H new ATOM 0 HE1 TYR A 129 12.582 10.477 -4.577 1.00 2.84 H new ATOM 0 HE2 TYR A 129 13.932 6.812 -6.418 1.00 2.36 H new ATOM 0 HH TYR A 129 12.572 8.246 -7.421 1.00 2.70 H new ATOM 2100 N SER A 130 17.137 10.242 -2.233 1.00 0.27 N ATOM 2101 CA SER A 130 17.237 11.575 -2.803 1.00 0.28 C ATOM 2102 C SER A 130 18.684 11.922 -3.141 1.00 0.37 C ATOM 2103 O SER A 130 18.918 12.802 -3.968 1.00 0.68 O ATOM 2104 CB SER A 130 16.637 12.597 -1.832 1.00 0.34 C ATOM 2105 OG SER A 130 16.581 13.874 -2.440 1.00 0.56 O ATOM 0 H SER A 130 16.869 10.242 -1.249 1.00 0.27 H new ATOM 0 HA SER A 130 16.672 11.601 -3.735 1.00 0.28 H new ATOM 0 HB2 SER A 130 15.636 12.283 -1.535 1.00 0.34 H new ATOM 0 HB3 SER A 130 17.239 12.644 -0.924 1.00 0.34 H new ATOM 0 HG SER A 130 16.195 14.519 -1.811 1.00 0.56 H new ATOM 2111 N LYS A 131 19.643 11.278 -2.479 1.00 0.29 N ATOM 2112 CA LYS A 131 21.062 11.418 -2.742 1.00 0.31 C ATOM 2113 C LYS A 131 21.467 10.414 -3.811 1.00 0.33 C ATOM 2114 O LYS A 131 22.279 10.739 -4.673 1.00 0.41 O ATOM 2115 CB LYS A 131 21.865 11.195 -1.449 1.00 0.41 C ATOM 2116 CG LYS A 131 21.994 12.480 -0.614 1.00 0.63 C ATOM 2117 CD LYS A 131 20.811 12.748 0.324 1.00 0.88 C ATOM 2118 CE LYS A 131 21.020 14.115 0.985 1.00 1.50 C ATOM 2119 NZ LYS A 131 20.380 14.213 2.313 1.00 2.02 N ATOM 0 H LYS A 131 19.441 10.625 -1.722 1.00 0.29 H new ATOM 0 HA LYS A 131 21.275 12.426 -3.099 1.00 0.31 H new ATOM 0 HB2 LYS A 131 21.380 10.423 -0.851 1.00 0.41 H new ATOM 0 HB3 LYS A 131 22.859 10.826 -1.700 1.00 0.41 H new ATOM 0 HG2 LYS A 131 22.907 12.423 -0.021 1.00 0.63 H new ATOM 0 HG3 LYS A 131 22.105 13.328 -1.290 1.00 0.63 H new ATOM 0 HD2 LYS A 131 19.874 12.735 -0.233 1.00 0.88 H new ATOM 0 HD3 LYS A 131 20.742 11.967 1.081 1.00 0.88 H new ATOM 0 HE2 LYS A 131 22.089 14.305 1.087 1.00 1.50 H new ATOM 0 HE3 LYS A 131 20.619 14.893 0.335 1.00 1.50 H new ATOM 0 HZ1 LYS A 131 20.038 15.184 2.463 1.00 2.02 H new ATOM 0 HZ2 LYS A 131 19.578 13.552 2.362 1.00 2.02 H new ATOM 0 HZ3 LYS A 131 21.072 13.972 3.051 1.00 2.02 H new ATOM 2133 N ASP A 132 20.930 9.195 -3.762 1.00 0.31 N ATOM 2134 CA ASP A 132 21.371 8.129 -4.645 1.00 0.42 C ATOM 2135 C ASP A 132 20.223 7.172 -4.957 1.00 0.37 C ATOM 2136 O ASP A 132 20.145 6.031 -4.489 1.00 0.36 O ATOM 2137 CB ASP A 132 22.577 7.411 -4.043 1.00 0.59 C ATOM 2138 CG ASP A 132 23.288 6.577 -5.103 1.00 0.75 C ATOM 2139 OD1 ASP A 132 22.605 6.097 -6.040 1.00 1.36 O ATOM 2140 OD2 ASP A 132 24.518 6.392 -4.931 1.00 2.19 O ATOM 0 H ASP A 132 20.187 8.926 -3.116 1.00 0.31 H new ATOM 0 HA ASP A 132 21.687 8.561 -5.594 1.00 0.42 H new ATOM 0 HB2 ASP A 132 23.269 8.141 -3.622 1.00 0.59 H new ATOM 0 HB3 ASP A 132 22.253 6.769 -3.224 1.00 0.59 H new ATOM 2145 N ARG A 133 19.343 7.617 -5.857 1.00 0.38 N ATOM 2146 CA ARG A 133 18.225 6.790 -6.289 1.00 0.37 C ATOM 2147 C ARG A 133 18.723 5.494 -6.903 1.00 0.36 C ATOM 2148 O ARG A 133 17.945 4.559 -6.991 1.00 0.37 O ATOM 2149 CB ARG A 133 17.287 7.482 -7.288 1.00 0.42 C ATOM 2150 CG ARG A 133 16.860 8.882 -6.824 1.00 0.67 C ATOM 2151 CD ARG A 133 15.953 9.601 -7.822 1.00 1.28 C ATOM 2152 NE ARG A 133 15.969 11.049 -7.562 1.00 1.53 N ATOM 2153 CZ ARG A 133 15.139 11.954 -8.093 1.00 2.18 C ATOM 2154 NH1 ARG A 133 15.368 13.254 -7.900 1.00 3.09 N ATOM 2155 NH2 ARG A 133 14.093 11.561 -8.819 1.00 3.20 N ATOM 0 H ARG A 133 19.386 8.537 -6.295 1.00 0.38 H new ATOM 0 HA ARG A 133 17.648 6.594 -5.386 1.00 0.37 H new ATOM 0 HB2 ARG A 133 17.785 7.560 -8.254 1.00 0.42 H new ATOM 0 HB3 ARG A 133 16.400 6.866 -7.435 1.00 0.42 H new ATOM 0 HG2 ARG A 133 16.342 8.798 -5.869 1.00 0.67 H new ATOM 0 HG3 ARG A 133 17.750 9.487 -6.652 1.00 0.67 H new ATOM 0 HD2 ARG A 133 16.288 9.402 -8.840 1.00 1.28 H new ATOM 0 HD3 ARG A 133 14.935 9.220 -7.741 1.00 1.28 H new ATOM 0 HE ARG A 133 16.679 11.395 -6.917 1.00 1.53 H new ATOM 0 HH11 ARG A 133 16.173 13.554 -7.350 1.00 3.09 H new ATOM 0 HH12 ARG A 133 14.738 13.948 -8.303 1.00 3.09 H new ATOM 0 HH21 ARG A 133 13.923 10.567 -8.972 1.00 3.20 H new ATOM 0 HH22 ARG A 133 13.463 12.254 -9.222 1.00 3.20 H new ATOM 2169 N LYS A 134 19.975 5.403 -7.362 1.00 0.37 N ATOM 2170 CA LYS A 134 20.441 4.178 -7.986 1.00 0.34 C ATOM 2171 C LYS A 134 20.561 3.087 -6.941 1.00 0.32 C ATOM 2172 O LYS A 134 20.114 1.975 -7.211 1.00 0.34 O ATOM 2173 CB LYS A 134 21.750 4.410 -8.741 1.00 0.36 C ATOM 2174 CG LYS A 134 21.445 5.276 -9.978 1.00 0.54 C ATOM 2175 CD LYS A 134 22.343 6.512 -10.086 1.00 2.02 C ATOM 2176 CE LYS A 134 21.620 7.562 -10.937 1.00 2.58 C ATOM 2177 NZ LYS A 134 22.457 8.757 -11.180 1.00 3.70 N ATOM 0 H LYS A 134 20.666 6.151 -7.312 1.00 0.37 H new ATOM 0 HA LYS A 134 19.712 3.851 -8.728 1.00 0.34 H new ATOM 0 HB2 LYS A 134 22.476 4.907 -8.098 1.00 0.36 H new ATOM 0 HB3 LYS A 134 22.189 3.459 -9.042 1.00 0.36 H new ATOM 0 HG2 LYS A 134 21.563 4.670 -10.876 1.00 0.54 H new ATOM 0 HG3 LYS A 134 20.403 5.594 -9.943 1.00 0.54 H new ATOM 0 HD2 LYS A 134 22.560 6.911 -9.095 1.00 2.02 H new ATOM 0 HD3 LYS A 134 23.298 6.248 -10.540 1.00 2.02 H new ATOM 0 HE2 LYS A 134 21.335 7.120 -11.892 1.00 2.58 H new ATOM 0 HE3 LYS A 134 20.699 7.861 -10.437 1.00 2.58 H new ATOM 0 HZ1 LYS A 134 21.928 9.440 -11.759 1.00 3.70 H new ATOM 0 HZ2 LYS A 134 22.708 9.196 -10.271 1.00 3.70 H new ATOM 0 HZ3 LYS A 134 23.324 8.477 -11.681 1.00 3.70 H new ATOM 2191 N LYS A 135 21.122 3.363 -5.760 1.00 0.31 N ATOM 2192 CA LYS A 135 21.095 2.332 -4.723 1.00 0.31 C ATOM 2193 C LYS A 135 19.672 1.967 -4.357 1.00 0.29 C ATOM 2194 O LYS A 135 19.411 0.798 -4.133 1.00 0.35 O ATOM 2195 CB LYS A 135 21.846 2.708 -3.446 1.00 0.38 C ATOM 2196 CG LYS A 135 23.357 2.503 -3.614 1.00 0.45 C ATOM 2197 CD LYS A 135 24.105 3.824 -3.713 1.00 1.13 C ATOM 2198 CE LYS A 135 25.283 3.926 -2.747 1.00 1.40 C ATOM 2199 NZ LYS A 135 26.045 5.159 -3.034 1.00 2.77 N ATOM 0 H LYS A 135 21.576 4.241 -5.507 1.00 0.31 H new ATOM 0 HA LYS A 135 21.611 1.480 -5.165 1.00 0.31 H new ATOM 0 HB2 LYS A 135 21.643 3.749 -3.194 1.00 0.38 H new ATOM 0 HB3 LYS A 135 21.484 2.102 -2.615 1.00 0.38 H new ATOM 0 HG2 LYS A 135 23.741 1.932 -2.769 1.00 0.45 H new ATOM 0 HG3 LYS A 135 23.545 1.912 -4.510 1.00 0.45 H new ATOM 0 HD2 LYS A 135 24.468 3.952 -4.733 1.00 1.13 H new ATOM 0 HD3 LYS A 135 23.411 4.642 -3.517 1.00 1.13 H new ATOM 0 HE2 LYS A 135 24.924 3.938 -1.718 1.00 1.40 H new ATOM 0 HE3 LYS A 135 25.929 3.054 -2.849 1.00 1.40 H new ATOM 0 HZ1 LYS A 135 27.061 4.939 -3.071 1.00 2.77 H new ATOM 0 HZ2 LYS A 135 25.742 5.549 -3.949 1.00 2.77 H new ATOM 0 HZ3 LYS A 135 25.869 5.858 -2.284 1.00 2.77 H new ATOM 2213 N PHE A 136 18.748 2.917 -4.279 1.00 0.30 N ATOM 2214 CA PHE A 136 17.367 2.596 -3.940 1.00 0.31 C ATOM 2215 C PHE A 136 16.782 1.664 -4.998 1.00 0.30 C ATOM 2216 O PHE A 136 16.124 0.684 -4.668 1.00 0.30 O ATOM 2217 CB PHE A 136 16.546 3.880 -3.791 1.00 0.37 C ATOM 2218 CG PHE A 136 15.077 3.720 -4.126 1.00 0.71 C ATOM 2219 CD1 PHE A 136 14.639 3.977 -5.440 1.00 2.30 C ATOM 2220 CD2 PHE A 136 14.156 3.301 -3.148 1.00 1.51 C ATOM 2221 CE1 PHE A 136 13.283 3.850 -5.770 1.00 2.89 C ATOM 2222 CE2 PHE A 136 12.797 3.168 -3.481 1.00 1.73 C ATOM 2223 CZ PHE A 136 12.362 3.455 -4.789 1.00 2.06 C ATOM 0 H PHE A 136 18.927 3.907 -4.444 1.00 0.30 H new ATOM 0 HA PHE A 136 17.335 2.078 -2.982 1.00 0.31 H new ATOM 0 HB2 PHE A 136 16.636 4.239 -2.766 1.00 0.37 H new ATOM 0 HB3 PHE A 136 16.973 4.648 -4.436 1.00 0.37 H new ATOM 0 HD1 PHE A 136 15.351 4.273 -6.196 1.00 2.30 H new ATOM 0 HD2 PHE A 136 14.492 3.082 -2.145 1.00 1.51 H new ATOM 0 HE1 PHE A 136 12.948 4.056 -6.776 1.00 2.89 H new ATOM 0 HE2 PHE A 136 12.087 2.846 -2.734 1.00 1.73 H new ATOM 0 HZ PHE A 136 11.314 3.371 -5.038 1.00 2.06 H new ATOM 2233 N CYS A 137 17.018 1.969 -6.272 1.00 0.31 N ATOM 2234 CA CYS A 137 16.480 1.221 -7.385 1.00 0.33 C ATOM 2235 C CYS A 137 17.018 -0.207 -7.337 1.00 0.30 C ATOM 2236 O CYS A 137 16.266 -1.160 -7.504 1.00 0.34 O ATOM 2237 CB CYS A 137 16.855 1.885 -8.715 1.00 0.35 C ATOM 2238 SG CYS A 137 15.803 3.333 -9.011 1.00 1.97 S ATOM 0 H CYS A 137 17.599 2.758 -6.555 1.00 0.31 H new ATOM 0 HA CYS A 137 15.393 1.204 -7.311 1.00 0.33 H new ATOM 0 HB2 CYS A 137 17.903 2.185 -8.697 1.00 0.35 H new ATOM 0 HB3 CYS A 137 16.742 1.171 -9.531 1.00 0.35 H new ATOM 0 HG CYS A 137 16.253 4.343 -8.328 1.00 1.97 H new ATOM 2244 N LYS A 138 18.330 -0.368 -7.144 1.00 0.27 N ATOM 2245 CA LYS A 138 18.940 -1.700 -7.230 1.00 0.28 C ATOM 2246 C LYS A 138 18.599 -2.509 -5.982 1.00 0.27 C ATOM 2247 O LYS A 138 18.222 -3.673 -6.077 1.00 0.29 O ATOM 2248 CB LYS A 138 20.456 -1.615 -7.469 1.00 0.34 C ATOM 2249 CG LYS A 138 20.795 -1.717 -8.967 1.00 0.66 C ATOM 2250 CD LYS A 138 20.296 -0.535 -9.807 1.00 1.16 C ATOM 2251 CE LYS A 138 21.159 0.709 -9.582 1.00 2.41 C ATOM 2252 NZ LYS A 138 22.420 0.652 -10.352 1.00 2.90 N ATOM 0 H LYS A 138 18.980 0.389 -6.931 1.00 0.27 H new ATOM 0 HA LYS A 138 18.524 -2.218 -8.094 1.00 0.28 H new ATOM 0 HB2 LYS A 138 20.836 -0.674 -7.072 1.00 0.34 H new ATOM 0 HB3 LYS A 138 20.957 -2.416 -6.926 1.00 0.34 H new ATOM 0 HG2 LYS A 138 21.876 -1.797 -9.079 1.00 0.66 H new ATOM 0 HG3 LYS A 138 20.365 -2.637 -9.363 1.00 0.66 H new ATOM 0 HD2 LYS A 138 20.311 -0.804 -10.863 1.00 1.16 H new ATOM 0 HD3 LYS A 138 19.260 -0.314 -9.549 1.00 1.16 H new ATOM 0 HE2 LYS A 138 20.597 1.597 -9.871 1.00 2.41 H new ATOM 0 HE3 LYS A 138 21.386 0.806 -8.520 1.00 2.41 H new ATOM 0 HZ1 LYS A 138 22.976 1.513 -10.172 1.00 2.90 H new ATOM 0 HZ2 LYS A 138 22.968 -0.182 -10.059 1.00 2.90 H new ATOM 0 HZ3 LYS A 138 22.204 0.585 -11.367 1.00 2.90 H new ATOM 2266 N ASN A 139 18.675 -1.871 -4.816 1.00 0.28 N ATOM 2267 CA ASN A 139 18.185 -2.417 -3.558 1.00 0.31 C ATOM 2268 C ASN A 139 16.789 -2.966 -3.758 1.00 0.30 C ATOM 2269 O ASN A 139 16.521 -4.078 -3.326 1.00 0.37 O ATOM 2270 CB ASN A 139 18.111 -1.352 -2.455 1.00 0.41 C ATOM 2271 CG ASN A 139 19.386 -1.208 -1.637 1.00 0.59 C ATOM 2272 OD1 ASN A 139 20.055 -2.189 -1.338 1.00 1.24 O ATOM 2273 ND2 ASN A 139 19.704 0.000 -1.194 1.00 0.73 N ATOM 0 H ASN A 139 19.087 -0.943 -4.720 1.00 0.28 H new ATOM 0 HA ASN A 139 18.884 -3.195 -3.252 1.00 0.31 H new ATOM 0 HB2 ASN A 139 17.875 -0.390 -2.910 1.00 0.41 H new ATOM 0 HB3 ASN A 139 17.288 -1.598 -1.784 1.00 0.41 H new ATOM 0 HD21 ASN A 139 20.519 0.125 -0.593 1.00 0.73 H new ATOM 0 HD22 ASN A 139 19.134 0.805 -1.454 1.00 0.73 H new ATOM 2280 N ALA A 140 15.897 -2.189 -4.375 1.00 0.28 N ATOM 2281 CA ALA A 140 14.535 -2.614 -4.625 1.00 0.28 C ATOM 2282 C ALA A 140 14.531 -3.846 -5.514 1.00 0.24 C ATOM 2283 O ALA A 140 13.831 -4.789 -5.202 1.00 0.24 O ATOM 2284 CB ALA A 140 13.702 -1.498 -5.247 1.00 0.30 C ATOM 0 H ALA A 140 16.107 -1.249 -4.712 1.00 0.28 H new ATOM 0 HA ALA A 140 14.078 -2.864 -3.667 1.00 0.28 H new ATOM 0 HB1 ALA A 140 12.687 -1.855 -5.420 1.00 0.30 H new ATOM 0 HB2 ALA A 140 13.676 -0.643 -4.571 1.00 0.30 H new ATOM 0 HB3 ALA A 140 14.147 -1.197 -6.195 1.00 0.30 H new ATOM 2290 N GLU A 141 15.284 -3.870 -6.608 1.00 0.24 N ATOM 2291 CA GLU A 141 15.357 -5.016 -7.508 1.00 0.26 C ATOM 2292 C GLU A 141 15.620 -6.308 -6.734 1.00 0.27 C ATOM 2293 O GLU A 141 14.983 -7.337 -6.973 1.00 0.32 O ATOM 2294 CB GLU A 141 16.431 -4.714 -8.568 1.00 0.33 C ATOM 2295 CG GLU A 141 16.208 -5.483 -9.868 1.00 0.63 C ATOM 2296 CD GLU A 141 17.001 -4.860 -11.021 1.00 0.78 C ATOM 2297 OE1 GLU A 141 16.384 -4.686 -12.097 1.00 2.04 O ATOM 2298 OE2 GLU A 141 18.200 -4.568 -10.821 1.00 1.14 O ATOM 0 H GLU A 141 15.868 -3.086 -6.899 1.00 0.24 H new ATOM 0 HA GLU A 141 14.404 -5.175 -8.013 1.00 0.26 H new ATOM 0 HB2 GLU A 141 16.436 -3.645 -8.779 1.00 0.33 H new ATOM 0 HB3 GLU A 141 17.413 -4.964 -8.166 1.00 0.33 H new ATOM 0 HG2 GLU A 141 16.509 -6.522 -9.735 1.00 0.63 H new ATOM 0 HG3 GLU A 141 15.146 -5.488 -10.114 1.00 0.63 H new ATOM 2305 N GLU A 142 16.524 -6.240 -5.760 1.00 0.28 N ATOM 2306 CA GLU A 142 16.838 -7.375 -4.916 1.00 0.31 C ATOM 2307 C GLU A 142 15.726 -7.639 -3.906 1.00 0.30 C ATOM 2308 O GLU A 142 15.374 -8.789 -3.685 1.00 0.32 O ATOM 2309 CB GLU A 142 18.144 -7.119 -4.155 1.00 0.38 C ATOM 2310 CG GLU A 142 19.387 -7.537 -4.940 1.00 0.57 C ATOM 2311 CD GLU A 142 20.596 -7.509 -4.006 1.00 1.30 C ATOM 2312 OE1 GLU A 142 20.599 -8.346 -3.071 1.00 1.73 O ATOM 2313 OE2 GLU A 142 21.458 -6.623 -4.175 1.00 2.33 O ATOM 0 H GLU A 142 17.054 -5.397 -5.539 1.00 0.28 H new ATOM 0 HA GLU A 142 16.943 -8.247 -5.562 1.00 0.31 H new ATOM 0 HB2 GLU A 142 18.214 -6.059 -3.912 1.00 0.38 H new ATOM 0 HB3 GLU A 142 18.119 -7.661 -3.210 1.00 0.38 H new ATOM 0 HG2 GLU A 142 19.253 -8.537 -5.353 1.00 0.57 H new ATOM 0 HG3 GLU A 142 19.545 -6.863 -5.782 1.00 0.57 H new ATOM 2320 N PHE A 143 15.219 -6.604 -3.236 1.00 0.32 N ATOM 2321 CA PHE A 143 14.238 -6.704 -2.158 1.00 0.35 C ATOM 2322 C PHE A 143 12.969 -7.365 -2.676 1.00 0.31 C ATOM 2323 O PHE A 143 12.422 -8.271 -2.051 1.00 0.32 O ATOM 2324 CB PHE A 143 13.933 -5.312 -1.581 1.00 0.42 C ATOM 2325 CG PHE A 143 14.337 -5.123 -0.133 1.00 0.92 C ATOM 2326 CD1 PHE A 143 13.476 -4.452 0.754 1.00 0.96 C ATOM 2327 CD2 PHE A 143 15.606 -5.542 0.314 1.00 1.90 C ATOM 2328 CE1 PHE A 143 13.868 -4.231 2.085 1.00 1.73 C ATOM 2329 CE2 PHE A 143 15.993 -5.325 1.648 1.00 2.70 C ATOM 2330 CZ PHE A 143 15.121 -4.671 2.536 1.00 2.57 C ATOM 0 H PHE A 143 15.490 -5.641 -3.436 1.00 0.32 H new ATOM 0 HA PHE A 143 14.649 -7.319 -1.357 1.00 0.35 H new ATOM 0 HB2 PHE A 143 14.443 -4.563 -2.187 1.00 0.42 H new ATOM 0 HB3 PHE A 143 12.864 -5.122 -1.673 1.00 0.42 H new ATOM 0 HD1 PHE A 143 12.512 -4.106 0.411 1.00 0.96 H new ATOM 0 HD2 PHE A 143 16.283 -6.031 -0.370 1.00 1.90 H new ATOM 0 HE1 PHE A 143 13.201 -3.720 2.764 1.00 1.73 H new ATOM 0 HE2 PHE A 143 16.961 -5.661 1.991 1.00 2.70 H new ATOM 0 HZ PHE A 143 15.415 -4.508 3.562 1.00 2.57 H new ATOM 2340 N THR A 144 12.527 -6.920 -3.844 1.00 0.30 N ATOM 2341 CA THR A 144 11.467 -7.512 -4.614 1.00 0.30 C ATOM 2342 C THR A 144 11.720 -9.015 -4.757 1.00 0.28 C ATOM 2343 O THR A 144 10.873 -9.814 -4.387 1.00 0.30 O ATOM 2344 CB THR A 144 11.374 -6.784 -5.959 1.00 0.33 C ATOM 2345 OG1 THR A 144 11.045 -5.425 -5.776 1.00 0.43 O ATOM 2346 CG2 THR A 144 10.271 -7.409 -6.789 1.00 0.31 C ATOM 0 H THR A 144 12.924 -6.095 -4.293 1.00 0.30 H new ATOM 0 HA THR A 144 10.504 -7.403 -4.116 1.00 0.30 H new ATOM 0 HB THR A 144 12.342 -6.866 -6.453 1.00 0.33 H new ATOM 0 HG1 THR A 144 11.857 -4.917 -5.567 1.00 0.43 H new ATOM 0 HG21 THR A 144 10.201 -6.894 -7.747 1.00 0.31 H new ATOM 0 HG22 THR A 144 10.495 -8.462 -6.958 1.00 0.31 H new ATOM 0 HG23 THR A 144 9.322 -7.321 -6.259 1.00 0.31 H new ATOM 2354 N LYS A 145 12.874 -9.434 -5.277 1.00 0.29 N ATOM 2355 CA LYS A 145 13.152 -10.854 -5.453 1.00 0.34 C ATOM 2356 C LYS A 145 13.230 -11.596 -4.102 1.00 0.39 C ATOM 2357 O LYS A 145 12.856 -12.761 -4.015 1.00 0.61 O ATOM 2358 CB LYS A 145 14.429 -10.962 -6.305 1.00 0.39 C ATOM 2359 CG LYS A 145 14.611 -12.293 -7.045 1.00 1.25 C ATOM 2360 CD LYS A 145 14.932 -13.447 -6.099 1.00 2.03 C ATOM 2361 CE LYS A 145 15.698 -14.543 -6.844 1.00 2.33 C ATOM 2362 NZ LYS A 145 15.929 -15.726 -5.985 1.00 3.53 N ATOM 0 H LYS A 145 13.624 -8.813 -5.581 1.00 0.29 H new ATOM 0 HA LYS A 145 12.337 -11.354 -5.976 1.00 0.34 H new ATOM 0 HB2 LYS A 145 14.427 -10.155 -7.038 1.00 0.39 H new ATOM 0 HB3 LYS A 145 15.292 -10.803 -5.659 1.00 0.39 H new ATOM 0 HG2 LYS A 145 13.702 -12.524 -7.600 1.00 1.25 H new ATOM 0 HG3 LYS A 145 15.413 -12.192 -7.776 1.00 1.25 H new ATOM 0 HD2 LYS A 145 15.525 -13.085 -5.260 1.00 2.03 H new ATOM 0 HD3 LYS A 145 14.010 -13.855 -5.685 1.00 2.03 H new ATOM 0 HE2 LYS A 145 15.138 -14.840 -7.731 1.00 2.33 H new ATOM 0 HE3 LYS A 145 16.655 -14.150 -7.188 1.00 2.33 H new ATOM 0 HZ1 LYS A 145 16.450 -16.448 -6.522 1.00 3.53 H new ATOM 0 HZ2 LYS A 145 16.484 -15.446 -5.151 1.00 3.53 H new ATOM 0 HZ3 LYS A 145 15.015 -16.116 -5.678 1.00 3.53 H new ATOM 2376 N LYS A 146 13.747 -10.962 -3.047 1.00 0.32 N ATOM 2377 CA LYS A 146 13.976 -11.573 -1.735 1.00 0.34 C ATOM 2378 C LYS A 146 12.648 -11.919 -1.068 1.00 0.30 C ATOM 2379 O LYS A 146 12.458 -13.037 -0.601 1.00 0.36 O ATOM 2380 CB LYS A 146 14.792 -10.616 -0.840 1.00 0.40 C ATOM 2381 CG LYS A 146 16.316 -10.823 -0.944 1.00 0.59 C ATOM 2382 CD LYS A 146 17.133 -9.558 -1.263 1.00 1.12 C ATOM 2383 CE LYS A 146 18.244 -9.327 -0.230 1.00 1.63 C ATOM 2384 NZ LYS A 146 19.242 -8.339 -0.698 1.00 2.46 N ATOM 0 H LYS A 146 14.026 -9.982 -3.083 1.00 0.32 H new ATOM 0 HA LYS A 146 14.542 -12.494 -1.873 1.00 0.34 H new ATOM 0 HB2 LYS A 146 14.554 -9.587 -1.111 1.00 0.40 H new ATOM 0 HB3 LYS A 146 14.485 -10.752 0.197 1.00 0.40 H new ATOM 0 HG2 LYS A 146 16.674 -11.239 -0.002 1.00 0.59 H new ATOM 0 HG3 LYS A 146 16.513 -11.567 -1.716 1.00 0.59 H new ATOM 0 HD2 LYS A 146 17.572 -9.649 -2.256 1.00 1.12 H new ATOM 0 HD3 LYS A 146 16.471 -8.693 -1.285 1.00 1.12 H new ATOM 0 HE2 LYS A 146 17.803 -8.981 0.705 1.00 1.63 H new ATOM 0 HE3 LYS A 146 18.743 -10.272 -0.017 1.00 1.63 H new ATOM 0 HZ1 LYS A 146 20.072 -8.361 -0.072 1.00 2.46 H new ATOM 0 HZ2 LYS A 146 19.533 -8.573 -1.669 1.00 2.46 H new ATOM 0 HZ3 LYS A 146 18.822 -7.388 -0.682 1.00 2.46 H new ATOM 2398 N TYR A 147 11.775 -10.923 -0.953 1.00 0.30 N ATOM 2399 CA TYR A 147 10.510 -10.984 -0.235 1.00 0.30 C ATOM 2400 C TYR A 147 9.334 -10.645 -1.143 1.00 0.34 C ATOM 2401 O TYR A 147 8.260 -11.206 -0.961 1.00 0.59 O ATOM 2402 CB TYR A 147 10.521 -9.991 0.921 1.00 0.46 C ATOM 2403 CG TYR A 147 10.821 -10.662 2.236 1.00 0.51 C ATOM 2404 CD1 TYR A 147 9.759 -11.108 3.040 1.00 1.76 C ATOM 2405 CD2 TYR A 147 12.149 -10.932 2.601 1.00 1.91 C ATOM 2406 CE1 TYR A 147 10.026 -11.802 4.229 1.00 1.76 C ATOM 2407 CE2 TYR A 147 12.423 -11.639 3.783 1.00 2.00 C ATOM 2408 CZ TYR A 147 11.359 -12.065 4.609 1.00 0.74 C ATOM 2409 OH TYR A 147 11.608 -12.670 5.803 1.00 0.94 O ATOM 0 H TYR A 147 11.939 -10.010 -1.378 1.00 0.30 H new ATOM 0 HA TYR A 147 10.394 -12.003 0.133 1.00 0.30 H new ATOM 0 HB2 TYR A 147 11.266 -9.219 0.729 1.00 0.46 H new ATOM 0 HB3 TYR A 147 9.554 -9.492 0.980 1.00 0.46 H new ATOM 0 HD1 TYR A 147 8.738 -10.917 2.743 1.00 1.76 H new ATOM 0 HD2 TYR A 147 12.961 -10.596 1.973 1.00 1.91 H new ATOM 0 HE1 TYR A 147 9.211 -12.135 4.854 1.00 1.76 H new ATOM 0 HE2 TYR A 147 13.444 -11.856 4.060 1.00 2.00 H new ATOM 0 HH TYR A 147 12.575 -12.782 5.918 1.00 0.94 H new ATOM 2419 N GLY A 148 9.500 -9.640 -2.010 1.00 0.24 N ATOM 2420 CA GLY A 148 8.440 -9.074 -2.828 1.00 0.25 C ATOM 2421 C GLY A 148 7.597 -10.142 -3.511 1.00 0.32 C ATOM 2422 O GLY A 148 8.083 -11.187 -3.940 1.00 0.46 O ATOM 0 H GLY A 148 10.403 -9.191 -2.161 1.00 0.24 H new ATOM 0 HA2 GLY A 148 7.797 -8.452 -2.205 1.00 0.25 H new ATOM 0 HA3 GLY A 148 8.878 -8.423 -3.584 1.00 0.25 H new ATOM 2426 N GLU A 149 6.300 -9.874 -3.592 1.00 0.26 N ATOM 2427 CA GLU A 149 5.339 -10.918 -3.873 1.00 0.19 C ATOM 2428 C GLU A 149 5.435 -11.359 -5.328 1.00 0.27 C ATOM 2429 O GLU A 149 5.865 -10.619 -6.214 1.00 0.45 O ATOM 2430 CB GLU A 149 3.933 -10.402 -3.569 1.00 0.25 C ATOM 2431 CG GLU A 149 2.927 -11.490 -3.168 1.00 0.64 C ATOM 2432 CD GLU A 149 3.211 -12.137 -1.803 1.00 1.22 C ATOM 2433 OE1 GLU A 149 4.109 -11.631 -1.100 1.00 2.99 O ATOM 2434 OE2 GLU A 149 2.468 -13.077 -1.430 1.00 1.34 O ATOM 0 H GLU A 149 5.896 -8.946 -3.467 1.00 0.26 H new ATOM 0 HA GLU A 149 5.555 -11.781 -3.243 1.00 0.19 H new ATOM 0 HB2 GLU A 149 3.995 -9.669 -2.765 1.00 0.25 H new ATOM 0 HB3 GLU A 149 3.553 -9.880 -4.448 1.00 0.25 H new ATOM 0 HG2 GLU A 149 1.927 -11.056 -3.151 1.00 0.64 H new ATOM 0 HG3 GLU A 149 2.925 -12.267 -3.933 1.00 0.64 H new ATOM 2441 N LYS A 150 4.952 -12.559 -5.607 1.00 0.34 N ATOM 2442 CA LYS A 150 4.829 -13.003 -6.985 1.00 0.53 C ATOM 2443 C LYS A 150 3.665 -12.264 -7.644 1.00 0.66 C ATOM 2444 O LYS A 150 2.506 -12.639 -7.474 1.00 0.85 O ATOM 2445 CB LYS A 150 4.690 -14.527 -7.079 1.00 0.65 C ATOM 2446 CG LYS A 150 3.912 -15.153 -5.913 1.00 1.71 C ATOM 2447 CD LYS A 150 3.548 -16.601 -6.245 1.00 2.67 C ATOM 2448 CE LYS A 150 2.311 -16.610 -7.149 1.00 4.01 C ATOM 2449 NZ LYS A 150 2.035 -17.958 -7.689 1.00 5.28 N ATOM 0 H LYS A 150 4.643 -13.235 -4.908 1.00 0.34 H new ATOM 0 HA LYS A 150 5.742 -12.759 -7.527 1.00 0.53 H new ATOM 0 HB2 LYS A 150 4.190 -14.780 -8.014 1.00 0.65 H new ATOM 0 HB3 LYS A 150 5.685 -14.971 -7.119 1.00 0.65 H new ATOM 0 HG2 LYS A 150 4.513 -15.120 -5.004 1.00 1.71 H new ATOM 0 HG3 LYS A 150 3.007 -14.577 -5.718 1.00 1.71 H new ATOM 0 HD2 LYS A 150 4.382 -17.094 -6.744 1.00 2.67 H new ATOM 0 HD3 LYS A 150 3.349 -17.159 -5.330 1.00 2.67 H new ATOM 0 HE2 LYS A 150 1.446 -16.260 -6.585 1.00 4.01 H new ATOM 0 HE3 LYS A 150 2.458 -15.912 -7.973 1.00 4.01 H new ATOM 0 HZ1 LYS A 150 1.191 -17.923 -8.296 1.00 5.28 H new ATOM 0 HZ2 LYS A 150 2.850 -18.281 -8.248 1.00 5.28 H new ATOM 0 HZ3 LYS A 150 1.870 -18.619 -6.904 1.00 5.28 H new ATOM 2463 N ARG A 151 3.990 -11.219 -8.408 1.00 0.64 N ATOM 2464 CA ARG A 151 3.035 -10.486 -9.235 1.00 0.68 C ATOM 2465 C ARG A 151 2.346 -11.453 -10.202 1.00 0.97 C ATOM 2466 O ARG A 151 2.921 -12.491 -10.533 1.00 1.23 O ATOM 2467 CB ARG A 151 3.779 -9.364 -9.985 1.00 0.74 C ATOM 2468 CG ARG A 151 4.609 -9.881 -11.173 1.00 1.25 C ATOM 2469 CD ARG A 151 5.792 -8.947 -11.454 1.00 0.90 C ATOM 2470 NE ARG A 151 6.740 -9.508 -12.433 1.00 1.60 N ATOM 2471 CZ ARG A 151 7.589 -10.518 -12.206 1.00 2.37 C ATOM 2472 NH1 ARG A 151 8.439 -10.897 -13.155 1.00 3.16 N ATOM 2473 NH2 ARG A 151 7.589 -11.140 -11.024 1.00 3.57 N ATOM 0 H ARG A 151 4.941 -10.854 -8.469 1.00 0.64 H new ATOM 0 HA ARG A 151 2.263 -10.030 -8.615 1.00 0.68 H new ATOM 0 HB2 ARG A 151 3.055 -8.634 -10.346 1.00 0.74 H new ATOM 0 HB3 ARG A 151 4.437 -8.844 -9.289 1.00 0.74 H new ATOM 0 HG2 ARG A 151 4.975 -10.885 -10.958 1.00 1.25 H new ATOM 0 HG3 ARG A 151 3.979 -9.954 -12.059 1.00 1.25 H new ATOM 0 HD2 ARG A 151 5.416 -7.993 -11.824 1.00 0.90 H new ATOM 0 HD3 ARG A 151 6.318 -8.743 -10.521 1.00 0.90 H new ATOM 0 HE ARG A 151 6.750 -9.091 -13.364 1.00 1.60 H new ATOM 0 HH11 ARG A 151 8.444 -10.418 -14.056 1.00 3.16 H new ATOM 0 HH12 ARG A 151 9.086 -11.666 -12.982 1.00 3.16 H new ATOM 0 HH21 ARG A 151 6.942 -10.846 -10.293 1.00 3.57 H new ATOM 0 HH22 ARG A 151 8.236 -11.909 -10.853 1.00 3.57 H new