USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1090 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 111 ASN : amide:sc= -1.34 K(o=-0.094,f=-5.1!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.09) USER MOD Set 2.1: A 23 SER OG : rot 73:sc= 1.15 USER MOD Set 2.2: A 26 SER OG : rot 30:sc= -0.443 USER MOD Set 2.3: A 66 HIS : no HD1:sc= -0.0704 X(o=0.64,f=0.76) USER MOD Set 3.1: A 18 SER OG : rot -80:sc= 0.597 USER MOD Set 3.2: A 21 SER OG : rot -70:sc= 1.29 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.796 K(o=2,f=-3.1!) USER MOD Set 4.2: A 46 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 7 GLN : amide:sc= -0.874 K(o=-0.87,f=-0.19) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 10 THR OG1 : rot -83:sc= -0.575 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.113 USER MOD Single : A 19 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.84) USER MOD Single : A 24 SER OG : rot 88:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.25) USER MOD Single : A 42 MET CE :methyl -159:sc= -0.275 (180deg=-0.944) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.07) USER MOD Single : A 47 MET CE :methyl 156:sc= -0.599 (180deg=-1.02) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.817 K(o=0.82,f=-4.7!) USER MOD Single : A 54 THR OG1 : rot 92:sc= 0.103 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 2.39 (180deg=2.32) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -130:sc= -0.221 (180deg=-0.891) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 69 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.17) USER MOD Single : A 70 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.22) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0.761) USER MOD Single : A 74 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.5!) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= -0.0115 (180deg=-0.171) USER MOD Single : A 78 GLN : amide:sc= 0.171 K(o=0.17,f=-4.3!) USER MOD Single : A 80 GLN : amide:sc= -5.7! C(o=-5.7!,f=-8.1!) USER MOD Single : A 82 SER OG : rot -96:sc= 1.28 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.0694) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 96 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 137:sc= 0.736 (180deg=0.0122) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 65:sc= 0.925 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 125 ASN : amide:sc= 1.12 K(o=1.1,f=-0.016) USER MOD Single : A 130 SER OG : rot 71:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 14.041 -4.896 -7.075 1.00 0.63 N ATOM 69 CA GLN A 7 14.477 -5.089 -5.693 1.00 0.61 C ATOM 70 C GLN A 7 13.306 -4.927 -4.733 1.00 0.52 C ATOM 71 O GLN A 7 13.368 -5.347 -3.583 1.00 0.61 O ATOM 72 CB GLN A 7 15.593 -4.106 -5.336 1.00 0.75 C ATOM 73 CG GLN A 7 16.899 -4.376 -6.067 1.00 1.58 C ATOM 74 CD GLN A 7 17.515 -5.717 -5.713 1.00 2.04 C ATOM 75 OE1 GLN A 7 18.102 -6.380 -6.565 1.00 2.40 O ATOM 76 NE2 GLN A 7 17.401 -6.120 -4.455 1.00 2.75 N ATOM 0 HA GLN A 7 14.865 -6.103 -5.599 1.00 0.61 H new ATOM 0 HB2 GLN A 7 15.261 -3.093 -5.565 1.00 0.75 H new ATOM 0 HB3 GLN A 7 15.772 -4.147 -4.262 1.00 0.75 H new ATOM 0 HG2 GLN A 7 16.721 -4.337 -7.142 1.00 1.58 H new ATOM 0 HG3 GLN A 7 17.610 -3.584 -5.833 1.00 1.58 H new ATOM 0 HE21 GLN A 7 16.906 -5.541 -3.777 1.00 2.75 H new ATOM 0 HE22 GLN A 7 17.809 -7.009 -4.165 1.00 2.75 H new ATOM 85 N PHE A 8 12.241 -4.313 -5.219 1.00 0.49 N ATOM 86 CA PHE A 8 11.046 -4.107 -4.421 1.00 0.45 C ATOM 87 C PHE A 8 10.219 -5.393 -4.390 1.00 0.44 C ATOM 88 O PHE A 8 9.719 -5.806 -3.342 1.00 0.42 O ATOM 89 CB PHE A 8 10.235 -2.949 -5.010 1.00 0.51 C ATOM 90 CG PHE A 8 9.020 -2.580 -4.210 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.134 -1.785 -3.082 1.00 0.89 C ATOM 92 CD2 PHE A 8 7.764 -3.028 -4.587 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.018 -1.441 -2.345 1.00 0.91 C ATOM 94 CE2 PHE A 8 6.645 -2.689 -3.855 1.00 0.90 C ATOM 95 CZ PHE A 8 6.771 -1.894 -2.732 1.00 0.55 C ATOM 0 H PHE A 8 12.180 -3.946 -6.169 1.00 0.49 H new ATOM 0 HA PHE A 8 11.323 -3.853 -3.398 1.00 0.45 H new ATOM 0 HB2 PHE A 8 10.880 -2.074 -5.095 1.00 0.51 H new ATOM 0 HB3 PHE A 8 9.924 -3.215 -6.020 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.107 -1.430 -2.775 1.00 0.89 H new ATOM 0 HD2 PHE A 8 7.660 -3.650 -5.464 1.00 0.88 H new ATOM 0 HE1 PHE A 8 8.119 -0.819 -1.468 1.00 0.91 H new ATOM 0 HE2 PHE A 8 5.672 -3.045 -4.159 1.00 0.90 H new ATOM 0 HZ PHE A 8 5.896 -1.627 -2.157 1.00 0.55 H new ATOM 105 N THR A 9 10.108 -6.033 -5.548 1.00 0.50 N ATOM 106 CA THR A 9 9.355 -7.271 -5.685 1.00 0.56 C ATOM 107 C THR A 9 9.994 -8.405 -4.889 1.00 0.56 C ATOM 108 O THR A 9 9.296 -9.262 -4.341 1.00 0.60 O ATOM 109 CB THR A 9 9.256 -7.679 -7.165 1.00 0.67 C ATOM 110 OG1 THR A 9 9.091 -6.507 -7.970 1.00 0.76 O ATOM 111 CG2 THR A 9 8.084 -8.619 -7.399 1.00 0.86 C ATOM 0 H THR A 9 10.536 -5.709 -6.415 1.00 0.50 H new ATOM 0 HA THR A 9 8.356 -7.090 -5.288 1.00 0.56 H new ATOM 0 HB THR A 9 10.174 -8.199 -7.439 1.00 0.67 H new ATOM 0 HG1 THR A 9 9.029 -6.764 -8.914 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.040 -8.890 -8.454 1.00 0.86 H new ATOM 0 HG22 THR A 9 8.214 -9.519 -6.798 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.157 -8.123 -7.113 1.00 0.86 H new ATOM 119 N THR A 10 11.320 -8.404 -4.816 1.00 0.57 N ATOM 120 CA THR A 10 12.042 -9.433 -4.086 1.00 0.63 C ATOM 121 C THR A 10 11.729 -9.357 -2.594 1.00 0.58 C ATOM 122 O THR A 10 11.634 -10.380 -1.912 1.00 0.66 O ATOM 123 CB THR A 10 13.557 -9.300 -4.305 1.00 0.71 C ATOM 124 OG1 THR A 10 13.844 -8.032 -4.906 1.00 1.42 O ATOM 125 CG2 THR A 10 14.078 -10.415 -5.198 1.00 1.31 C ATOM 0 H THR A 10 11.915 -7.701 -5.254 1.00 0.57 H new ATOM 0 HA THR A 10 11.716 -10.401 -4.467 1.00 0.63 H new ATOM 0 HB THR A 10 14.053 -9.373 -3.337 1.00 0.71 H new ATOM 0 HG1 THR A 10 13.714 -8.093 -5.875 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.153 -10.298 -5.337 1.00 1.31 H new ATOM 0 HG22 THR A 10 13.876 -11.379 -4.732 1.00 1.31 H new ATOM 0 HG23 THR A 10 13.580 -10.369 -6.166 1.00 1.31 H new ATOM 133 N LYS A 11 11.550 -8.139 -2.097 1.00 0.51 N ATOM 134 CA LYS A 11 11.240 -7.930 -0.689 1.00 0.50 C ATOM 135 C LYS A 11 9.782 -8.271 -0.405 1.00 0.48 C ATOM 136 O LYS A 11 9.461 -8.852 0.628 1.00 0.52 O ATOM 137 CB LYS A 11 11.515 -6.482 -0.278 1.00 0.50 C ATOM 138 CG LYS A 11 12.924 -6.000 -0.592 1.00 0.59 C ATOM 139 CD LYS A 11 13.995 -6.907 -0.001 1.00 0.80 C ATOM 140 CE LYS A 11 13.990 -6.870 1.518 1.00 1.06 C ATOM 141 NZ LYS A 11 15.159 -7.582 2.095 1.00 1.30 N ATOM 0 H LYS A 11 11.614 -7.283 -2.647 1.00 0.51 H new ATOM 0 HA LYS A 11 11.883 -8.590 -0.106 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.800 -5.831 -0.782 1.00 0.50 H new ATOM 0 HB3 LYS A 11 11.339 -6.381 0.793 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.054 -5.946 -1.673 1.00 0.59 H new ATOM 0 HG3 LYS A 11 13.054 -4.989 -0.205 1.00 0.59 H new ATOM 0 HD2 LYS A 11 13.833 -7.930 -0.340 1.00 0.80 H new ATOM 0 HD3 LYS A 11 14.974 -6.601 -0.369 1.00 0.80 H new ATOM 0 HE2 LYS A 11 13.994 -5.834 1.856 1.00 1.06 H new ATOM 0 HE3 LYS A 11 13.070 -7.323 1.889 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 15.118 -7.533 3.133 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 15.142 -8.577 1.794 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 16.037 -7.135 1.762 1.00 1.30 H new ATOM 155 N LEU A 12 8.904 -7.917 -1.336 1.00 0.47 N ATOM 156 CA LEU A 12 7.474 -8.180 -1.189 1.00 0.50 C ATOM 157 C LEU A 12 7.189 -9.675 -1.076 1.00 0.56 C ATOM 158 O LEU A 12 6.223 -10.087 -0.431 1.00 0.65 O ATOM 159 CB LEU A 12 6.707 -7.593 -2.377 1.00 0.54 C ATOM 160 CG LEU A 12 5.949 -6.295 -2.089 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.747 -6.568 -1.203 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.864 -5.269 -1.440 1.00 0.84 C ATOM 0 H LEU A 12 9.157 -7.445 -2.204 1.00 0.47 H new ATOM 0 HA LEU A 12 7.140 -7.702 -0.268 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.411 -7.411 -3.189 1.00 0.54 H new ATOM 0 HB3 LEU A 12 5.996 -8.338 -2.733 1.00 0.54 H new ATOM 0 HG LEU A 12 5.597 -5.888 -3.037 1.00 0.66 H new ATOM 0 HD11 LEU A 12 4.219 -5.634 -1.008 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.076 -7.266 -1.704 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.081 -7.000 -0.260 1.00 1.57 H new ATOM 0 HD21 LEU A 12 6.304 -4.354 -1.244 1.00 0.84 H new ATOM 0 HD22 LEU A 12 7.249 -5.667 -0.501 1.00 0.84 H new ATOM 0 HD23 LEU A 12 7.696 -5.049 -2.109 1.00 0.84 H new ATOM 174 N ASN A 13 8.043 -10.484 -1.688 1.00 0.60 N ATOM 175 CA ASN A 13 7.872 -11.931 -1.658 1.00 0.71 C ATOM 176 C ASN A 13 8.455 -12.546 -0.388 1.00 0.72 C ATOM 177 O ASN A 13 8.295 -13.743 -0.149 1.00 0.87 O ATOM 178 CB ASN A 13 8.517 -12.581 -2.886 1.00 0.82 C ATOM 179 CG ASN A 13 7.536 -12.766 -4.030 1.00 1.14 C ATOM 180 OD1 ASN A 13 6.322 -12.782 -3.830 1.00 1.53 O ATOM 181 ND2 ASN A 13 8.056 -12.916 -5.238 1.00 1.59 N ATOM 0 H ASN A 13 8.859 -10.165 -2.210 1.00 0.60 H new ATOM 0 HA ASN A 13 6.799 -12.124 -1.669 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.351 -11.965 -3.223 1.00 0.82 H new ATOM 0 HB3 ASN A 13 8.930 -13.550 -2.605 1.00 0.82 H new ATOM 0 HD21 ASN A 13 7.445 -13.051 -6.043 1.00 1.59 H new ATOM 0 HD22 ASN A 13 9.068 -12.897 -5.364 1.00 1.59 H new ATOM 188 N THR A 14 9.125 -11.744 0.432 1.00 0.67 N ATOM 189 CA THR A 14 9.713 -12.261 1.662 1.00 0.74 C ATOM 190 C THR A 14 9.068 -11.630 2.899 1.00 0.68 C ATOM 191 O THR A 14 9.387 -11.998 4.030 1.00 0.81 O ATOM 192 CB THR A 14 11.247 -12.054 1.697 1.00 0.85 C ATOM 193 OG1 THR A 14 11.838 -12.948 2.646 1.00 1.63 O ATOM 194 CG2 THR A 14 11.620 -10.621 2.061 1.00 1.47 C ATOM 0 H THR A 14 9.273 -10.748 0.271 1.00 0.67 H new ATOM 0 HA THR A 14 9.515 -13.333 1.678 1.00 0.74 H new ATOM 0 HB THR A 14 11.626 -12.261 0.696 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.242 -13.047 3.418 1.00 1.63 H new ATOM 0 HG21 THR A 14 12.705 -10.520 2.074 1.00 1.47 H new ATOM 0 HG22 THR A 14 11.201 -9.937 1.323 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.221 -10.380 3.046 1.00 1.47 H new ATOM 202 N LEU A 15 8.154 -10.692 2.678 1.00 0.61 N ATOM 203 CA LEU A 15 7.471 -10.020 3.779 1.00 0.61 C ATOM 204 C LEU A 15 6.461 -10.948 4.444 1.00 0.60 C ATOM 205 O LEU A 15 6.070 -11.965 3.868 1.00 0.71 O ATOM 206 CB LEU A 15 6.765 -8.753 3.288 1.00 0.65 C ATOM 207 CG LEU A 15 7.683 -7.561 3.013 1.00 0.73 C ATOM 208 CD1 LEU A 15 6.870 -6.356 2.570 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.508 -7.228 4.247 1.00 0.88 C ATOM 0 H LEU A 15 7.869 -10.380 1.750 1.00 0.61 H new ATOM 0 HA LEU A 15 8.226 -9.742 4.514 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.221 -8.991 2.374 1.00 0.65 H new ATOM 0 HB3 LEU A 15 6.025 -8.457 4.032 1.00 0.65 H new ATOM 0 HG LEU A 15 8.366 -7.829 2.207 1.00 0.73 H new ATOM 0 HD11 LEU A 15 7.538 -5.517 2.378 1.00 1.10 H new ATOM 0 HD12 LEU A 15 6.324 -6.600 1.659 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.163 -6.085 3.355 1.00 1.10 H new ATOM 0 HD21 LEU A 15 9.155 -6.378 4.033 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.842 -6.979 5.073 1.00 0.88 H new ATOM 0 HD23 LEU A 15 9.118 -8.089 4.520 1.00 0.88 H new ATOM 221 N GLU A 16 6.035 -10.590 5.647 1.00 0.65 N ATOM 222 CA GLU A 16 5.071 -11.390 6.392 1.00 0.72 C ATOM 223 C GLU A 16 4.129 -10.470 7.170 1.00 0.70 C ATOM 224 O GLU A 16 4.143 -9.258 6.973 1.00 0.70 O ATOM 225 CB GLU A 16 5.805 -12.348 7.341 1.00 0.83 C ATOM 226 CG GLU A 16 5.023 -13.615 7.679 1.00 1.28 C ATOM 227 CD GLU A 16 4.735 -13.744 9.164 1.00 1.56 C ATOM 228 OE1 GLU A 16 4.806 -12.722 9.877 1.00 2.16 O ATOM 229 OE2 GLU A 16 4.428 -14.862 9.620 1.00 2.16 O ATOM 0 H GLU A 16 6.343 -9.746 6.131 1.00 0.65 H new ATOM 0 HA GLU A 16 4.479 -11.985 5.696 1.00 0.72 H new ATOM 0 HB2 GLU A 16 6.756 -12.631 6.890 1.00 0.83 H new ATOM 0 HB3 GLU A 16 6.036 -11.819 8.266 1.00 0.83 H new ATOM 0 HG2 GLU A 16 4.082 -13.615 7.129 1.00 1.28 H new ATOM 0 HG3 GLU A 16 5.587 -14.486 7.345 1.00 1.28 H new ATOM 236 N ASP A 17 3.324 -11.047 8.051 1.00 0.77 N ATOM 237 CA ASP A 17 2.379 -10.282 8.860 1.00 0.82 C ATOM 238 C ASP A 17 3.108 -9.570 9.999 1.00 0.79 C ATOM 239 O ASP A 17 2.602 -8.606 10.577 1.00 1.05 O ATOM 240 CB ASP A 17 1.291 -11.218 9.407 1.00 1.00 C ATOM 241 CG ASP A 17 0.594 -10.676 10.640 1.00 1.27 C ATOM 242 OD1 ASP A 17 -0.365 -9.891 10.493 1.00 1.94 O ATOM 243 OD2 ASP A 17 1.000 -11.042 11.765 1.00 1.78 O ATOM 0 H ASP A 17 3.305 -12.052 8.226 1.00 0.77 H new ATOM 0 HA ASP A 17 1.906 -9.523 8.237 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.549 -11.395 8.628 1.00 1.00 H new ATOM 0 HB3 ASP A 17 1.739 -12.183 9.646 1.00 1.00 H new ATOM 248 N SER A 18 4.307 -10.054 10.304 1.00 0.74 N ATOM 249 CA SER A 18 5.125 -9.482 11.359 1.00 0.75 C ATOM 250 C SER A 18 5.328 -7.987 11.136 1.00 0.69 C ATOM 251 O SER A 18 5.921 -7.569 10.140 1.00 0.78 O ATOM 252 CB SER A 18 6.476 -10.202 11.428 1.00 0.84 C ATOM 253 OG SER A 18 6.703 -10.992 10.269 1.00 1.61 O ATOM 0 H SER A 18 4.734 -10.849 9.828 1.00 0.74 H new ATOM 0 HA SER A 18 4.607 -9.616 12.309 1.00 0.75 H new ATOM 0 HB2 SER A 18 7.276 -9.469 11.533 1.00 0.84 H new ATOM 0 HB3 SER A 18 6.507 -10.836 12.314 1.00 0.84 H new ATOM 0 HG SER A 18 6.209 -11.835 10.346 1.00 1.61 H new ATOM 259 N GLN A 19 4.825 -7.190 12.072 1.00 0.76 N ATOM 260 CA GLN A 19 4.925 -5.739 12.001 1.00 0.79 C ATOM 261 C GLN A 19 6.380 -5.303 11.857 1.00 0.73 C ATOM 262 O GLN A 19 6.690 -4.333 11.161 1.00 0.73 O ATOM 263 CB GLN A 19 4.303 -5.119 13.252 1.00 1.04 C ATOM 264 CG GLN A 19 3.845 -3.682 13.067 1.00 1.45 C ATOM 265 CD GLN A 19 2.393 -3.481 13.452 1.00 2.07 C ATOM 266 OE1 GLN A 19 1.558 -4.376 13.292 1.00 2.64 O ATOM 267 NE2 GLN A 19 2.082 -2.306 13.966 1.00 2.54 N ATOM 0 H GLN A 19 4.337 -7.532 12.900 1.00 0.76 H new ATOM 0 HA GLN A 19 4.381 -5.392 11.122 1.00 0.79 H new ATOM 0 HB2 GLN A 19 3.450 -5.725 13.560 1.00 1.04 H new ATOM 0 HB3 GLN A 19 5.030 -5.156 14.063 1.00 1.04 H new ATOM 0 HG2 GLN A 19 4.472 -3.024 13.669 1.00 1.45 H new ATOM 0 HG3 GLN A 19 3.985 -3.391 12.026 1.00 1.45 H new ATOM 0 HE21 GLN A 19 2.802 -1.593 14.082 1.00 2.54 H new ATOM 0 HE22 GLN A 19 1.121 -2.111 14.248 1.00 2.54 H new ATOM 276 N GLU A 20 7.271 -6.041 12.503 1.00 0.80 N ATOM 277 CA GLU A 20 8.697 -5.754 12.455 1.00 0.87 C ATOM 278 C GLU A 20 9.248 -5.955 11.044 1.00 0.75 C ATOM 279 O GLU A 20 10.147 -5.231 10.616 1.00 0.80 O ATOM 280 CB GLU A 20 9.466 -6.629 13.454 1.00 1.09 C ATOM 281 CG GLU A 20 8.987 -8.072 13.512 1.00 1.59 C ATOM 282 CD GLU A 20 7.857 -8.276 14.502 1.00 2.23 C ATOM 283 OE1 GLU A 20 6.684 -8.067 14.126 1.00 2.69 O ATOM 284 OE2 GLU A 20 8.137 -8.632 15.661 1.00 2.99 O ATOM 0 H GLU A 20 7.028 -6.852 13.072 1.00 0.80 H new ATOM 0 HA GLU A 20 8.834 -4.709 12.733 1.00 0.87 H new ATOM 0 HB2 GLU A 20 10.524 -6.619 13.191 1.00 1.09 H new ATOM 0 HB3 GLU A 20 9.380 -6.189 14.447 1.00 1.09 H new ATOM 0 HG2 GLU A 20 8.655 -8.380 12.520 1.00 1.59 H new ATOM 0 HG3 GLU A 20 9.823 -8.717 13.783 1.00 1.59 H new ATOM 291 N SER A 21 8.705 -6.927 10.313 1.00 0.69 N ATOM 292 CA SER A 21 9.163 -7.187 8.954 1.00 0.67 C ATOM 293 C SER A 21 8.703 -6.061 8.036 1.00 0.54 C ATOM 294 O SER A 21 9.454 -5.597 7.177 1.00 0.58 O ATOM 295 CB SER A 21 8.663 -8.551 8.451 1.00 0.74 C ATOM 296 OG SER A 21 7.290 -8.520 8.086 1.00 1.10 O ATOM 0 H SER A 21 7.956 -7.540 10.636 1.00 0.69 H new ATOM 0 HA SER A 21 10.252 -7.222 8.951 1.00 0.67 H new ATOM 0 HB2 SER A 21 9.258 -8.860 7.592 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.813 -9.300 9.228 1.00 0.74 H new ATOM 0 HG SER A 21 6.740 -8.421 8.891 1.00 1.10 H new ATOM 302 N ILE A 22 7.470 -5.602 8.250 1.00 0.47 N ATOM 303 CA ILE A 22 6.910 -4.515 7.461 1.00 0.42 C ATOM 304 C ILE A 22 7.670 -3.226 7.747 1.00 0.42 C ATOM 305 O ILE A 22 8.027 -2.491 6.829 1.00 0.42 O ATOM 306 CB ILE A 22 5.407 -4.304 7.764 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.620 -5.596 7.518 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.843 -3.167 6.919 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.666 -6.078 6.081 1.00 0.88 C ATOM 0 H ILE A 22 6.842 -5.969 8.965 1.00 0.47 H new ATOM 0 HA ILE A 22 7.009 -4.783 6.409 1.00 0.42 H new ATOM 0 HB ILE A 22 5.306 -4.034 8.815 1.00 0.47 H new ATOM 0 HG12 ILE A 22 5.013 -6.379 8.166 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.580 -5.437 7.805 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.785 -3.035 7.147 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.381 -2.246 7.143 1.00 0.54 H new ATOM 0 HG23 ILE A 22 4.959 -3.407 5.862 1.00 0.54 H new ATOM 0 HD11 ILE A 22 4.086 -6.996 5.987 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.245 -5.314 5.427 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.700 -6.271 5.795 1.00 0.88 H new ATOM 321 N SER A 23 7.935 -2.977 9.029 1.00 0.46 N ATOM 322 CA SER A 23 8.665 -1.788 9.455 1.00 0.50 C ATOM 323 C SER A 23 10.056 -1.742 8.830 1.00 0.49 C ATOM 324 O SER A 23 10.539 -0.681 8.440 1.00 0.55 O ATOM 325 CB SER A 23 8.779 -1.756 10.982 1.00 0.59 C ATOM 326 OG SER A 23 7.499 -1.723 11.595 1.00 1.18 O ATOM 0 H SER A 23 7.652 -3.589 9.794 1.00 0.46 H new ATOM 0 HA SER A 23 8.109 -0.914 9.117 1.00 0.50 H new ATOM 0 HB2 SER A 23 9.327 -2.633 11.326 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.353 -0.881 11.288 1.00 0.59 H new ATOM 0 HG SER A 23 7.076 -2.604 11.517 1.00 1.18 H new ATOM 332 N SER A 24 10.692 -2.899 8.717 1.00 0.50 N ATOM 333 CA SER A 24 12.024 -2.977 8.139 1.00 0.54 C ATOM 334 C SER A 24 11.989 -2.649 6.647 1.00 0.50 C ATOM 335 O SER A 24 12.959 -2.132 6.092 1.00 0.67 O ATOM 336 CB SER A 24 12.617 -4.369 8.364 1.00 0.62 C ATOM 337 OG SER A 24 12.643 -4.691 9.748 1.00 1.16 O ATOM 0 H SER A 24 10.307 -3.795 9.018 1.00 0.50 H new ATOM 0 HA SER A 24 12.657 -2.241 8.635 1.00 0.54 H new ATOM 0 HB2 SER A 24 12.028 -5.111 7.825 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.628 -4.408 7.958 1.00 0.62 H new ATOM 0 HG SER A 24 11.795 -5.111 10.002 1.00 1.16 H new ATOM 343 N ALA A 25 10.860 -2.930 6.011 1.00 0.42 N ATOM 344 CA ALA A 25 10.697 -2.668 4.590 1.00 0.40 C ATOM 345 C ALA A 25 10.315 -1.213 4.340 1.00 0.36 C ATOM 346 O ALA A 25 10.868 -0.567 3.453 1.00 0.37 O ATOM 347 CB ALA A 25 9.658 -3.604 3.995 1.00 0.45 C ATOM 0 H ALA A 25 10.041 -3.341 6.460 1.00 0.42 H new ATOM 0 HA ALA A 25 11.653 -2.852 4.100 1.00 0.40 H new ATOM 0 HB1 ALA A 25 9.547 -3.395 2.931 1.00 0.45 H new ATOM 0 HB2 ALA A 25 9.978 -4.637 4.131 1.00 0.45 H new ATOM 0 HB3 ALA A 25 8.702 -3.452 4.496 1.00 0.45 H new ATOM 353 N SER A 26 9.383 -0.688 5.131 1.00 0.36 N ATOM 354 CA SER A 26 8.944 0.691 4.970 1.00 0.37 C ATOM 355 C SER A 26 10.101 1.656 5.213 1.00 0.36 C ATOM 356 O SER A 26 10.300 2.603 4.453 1.00 0.37 O ATOM 357 CB SER A 26 7.788 0.992 5.924 1.00 0.46 C ATOM 358 OG SER A 26 7.975 0.338 7.165 1.00 1.32 O ATOM 0 H SER A 26 8.921 -1.195 5.885 1.00 0.36 H new ATOM 0 HA SER A 26 8.596 0.826 3.946 1.00 0.37 H new ATOM 0 HB2 SER A 26 7.713 2.068 6.083 1.00 0.46 H new ATOM 0 HB3 SER A 26 6.848 0.669 5.476 1.00 0.46 H new ATOM 0 HG SER A 26 8.934 0.249 7.347 1.00 1.32 H new ATOM 364 N LYS A 27 10.873 1.397 6.263 1.00 0.39 N ATOM 365 CA LYS A 27 12.017 2.233 6.598 1.00 0.44 C ATOM 366 C LYS A 27 13.074 2.158 5.501 1.00 0.39 C ATOM 367 O LYS A 27 13.721 3.155 5.174 1.00 0.45 O ATOM 368 CB LYS A 27 12.608 1.802 7.938 1.00 0.53 C ATOM 369 CG LYS A 27 11.779 2.251 9.130 1.00 0.90 C ATOM 370 CD LYS A 27 12.186 1.525 10.401 1.00 1.41 C ATOM 371 CE LYS A 27 13.615 1.847 10.797 1.00 1.90 C ATOM 372 NZ LYS A 27 13.962 1.272 12.122 1.00 2.38 N ATOM 0 H LYS A 27 10.725 0.612 6.898 1.00 0.39 H new ATOM 0 HA LYS A 27 11.681 3.267 6.680 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.699 0.716 7.955 1.00 0.53 H new ATOM 0 HB3 LYS A 27 13.615 2.208 8.031 1.00 0.53 H new ATOM 0 HG2 LYS A 27 11.896 3.325 9.271 1.00 0.90 H new ATOM 0 HG3 LYS A 27 10.723 2.069 8.929 1.00 0.90 H new ATOM 0 HD2 LYS A 27 11.512 1.804 11.211 1.00 1.41 H new ATOM 0 HD3 LYS A 27 12.082 0.450 10.255 1.00 1.41 H new ATOM 0 HE2 LYS A 27 14.298 1.458 10.042 1.00 1.90 H new ATOM 0 HE3 LYS A 27 13.750 2.928 10.823 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 14.946 1.513 12.358 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 13.326 1.662 12.847 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 13.857 0.238 12.090 1.00 2.38 H new ATOM 386 N TRP A 28 13.233 0.971 4.925 1.00 0.36 N ATOM 387 CA TRP A 28 14.192 0.763 3.849 1.00 0.38 C ATOM 388 C TRP A 28 13.741 1.529 2.608 1.00 0.35 C ATOM 389 O TRP A 28 14.556 2.075 1.862 1.00 0.43 O ATOM 390 CB TRP A 28 14.327 -0.732 3.536 1.00 0.42 C ATOM 391 CG TRP A 28 15.368 -1.039 2.503 1.00 0.54 C ATOM 392 CD1 TRP A 28 16.705 -0.772 2.580 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.155 -1.669 1.233 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.336 -1.197 1.436 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.407 -1.753 0.596 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.028 -2.173 0.573 1.00 0.70 C ATOM 397 CZ2 TRP A 28 16.563 -2.319 -0.667 1.00 0.94 C ATOM 398 CZ3 TRP A 28 14.186 -2.735 -0.680 1.00 0.89 C ATOM 399 CH2 TRP A 28 15.445 -2.805 -1.288 1.00 0.98 C ATOM 0 H TRP A 28 12.708 0.137 5.187 1.00 0.36 H new ATOM 0 HA TRP A 28 15.167 1.135 4.162 1.00 0.38 H new ATOM 0 HB2 TRP A 28 14.571 -1.266 4.454 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.364 -1.111 3.193 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.194 -0.297 3.417 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.334 -1.112 1.243 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.053 -2.124 1.034 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 17.533 -2.372 -1.140 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 13.323 -3.127 -1.199 1.00 0.89 H new ATOM 0 HH2 TRP A 28 15.536 -3.252 -2.267 1.00 0.98 H new ATOM 410 N LEU A 29 12.428 1.572 2.402 1.00 0.32 N ATOM 411 CA LEU A 29 11.847 2.276 1.267 1.00 0.35 C ATOM 412 C LEU A 29 11.983 3.786 1.446 1.00 0.36 C ATOM 413 O LEU A 29 12.273 4.508 0.494 1.00 0.39 O ATOM 414 CB LEU A 29 10.374 1.896 1.100 1.00 0.41 C ATOM 415 CG LEU A 29 10.077 0.889 -0.013 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.462 1.461 -1.366 1.00 1.10 C ATOM 417 CD2 LEU A 29 10.806 -0.422 0.237 1.00 1.30 C ATOM 0 H LEU A 29 11.744 1.124 3.012 1.00 0.32 H new ATOM 0 HA LEU A 29 12.389 1.982 0.368 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.013 1.486 2.043 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.802 2.804 0.907 1.00 0.41 H new ATOM 0 HG LEU A 29 9.005 0.689 -0.014 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.244 0.731 -2.145 1.00 1.10 H new ATOM 0 HD12 LEU A 29 9.892 2.371 -1.552 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.527 1.692 -1.374 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.580 -1.123 -0.567 1.00 1.30 H new ATOM 0 HD22 LEU A 29 11.880 -0.241 0.269 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.481 -0.844 1.188 1.00 1.30 H new ATOM 429 N LEU A 30 11.790 4.253 2.675 1.00 0.38 N ATOM 430 CA LEU A 30 11.894 5.677 2.991 1.00 0.44 C ATOM 431 C LEU A 30 13.307 6.189 2.721 1.00 0.48 C ATOM 432 O LEU A 30 13.513 7.377 2.473 1.00 0.60 O ATOM 433 CB LEU A 30 11.519 5.928 4.455 1.00 0.51 C ATOM 434 CG LEU A 30 10.027 5.810 4.778 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.810 5.749 6.282 1.00 1.06 C ATOM 436 CD2 LEU A 30 9.258 6.977 4.175 1.00 1.00 C ATOM 0 H LEU A 30 11.559 3.663 3.475 1.00 0.38 H new ATOM 0 HA LEU A 30 11.199 6.218 2.349 1.00 0.44 H new ATOM 0 HB2 LEU A 30 12.066 5.221 5.079 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.856 6.926 4.733 1.00 0.51 H new ATOM 0 HG LEU A 30 9.651 4.886 4.339 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.744 5.665 6.493 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.330 4.882 6.690 1.00 1.06 H new ATOM 0 HD13 LEU A 30 10.201 6.656 6.743 1.00 1.06 H new ATOM 0 HD21 LEU A 30 8.199 6.877 4.414 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.636 7.913 4.586 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.387 6.977 3.093 1.00 1.00 H new ATOM 448 N LEU A 31 14.273 5.281 2.767 1.00 0.45 N ATOM 449 CA LEU A 31 15.669 5.625 2.527 1.00 0.53 C ATOM 450 C LEU A 31 15.956 5.774 1.034 1.00 0.54 C ATOM 451 O LEU A 31 16.965 6.358 0.645 1.00 0.70 O ATOM 452 CB LEU A 31 16.588 4.557 3.128 1.00 0.58 C ATOM 453 CG LEU A 31 16.849 4.694 4.627 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.494 3.430 5.170 1.00 1.59 C ATOM 455 CD2 LEU A 31 17.727 5.906 4.902 1.00 1.71 C ATOM 0 H LEU A 31 14.114 4.294 2.970 1.00 0.45 H new ATOM 0 HA LEU A 31 15.864 6.583 3.009 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.151 3.576 2.939 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.544 4.586 2.605 1.00 0.58 H new ATOM 0 HG LEU A 31 15.896 4.838 5.136 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.674 3.544 6.239 1.00 1.59 H new ATOM 0 HD12 LEU A 31 16.831 2.582 5.002 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.441 3.257 4.659 1.00 1.59 H new ATOM 0 HD21 LEU A 31 17.905 5.991 5.974 1.00 1.71 H new ATOM 0 HD22 LEU A 31 18.679 5.790 4.385 1.00 1.71 H new ATOM 0 HD23 LEU A 31 17.227 6.806 4.545 1.00 1.71 H new ATOM 467 N GLN A 32 15.060 5.263 0.202 1.00 0.49 N ATOM 468 CA GLN A 32 15.235 5.335 -1.241 1.00 0.56 C ATOM 469 C GLN A 32 14.075 6.086 -1.887 1.00 0.48 C ATOM 470 O GLN A 32 13.531 5.660 -2.908 1.00 0.53 O ATOM 471 CB GLN A 32 15.363 3.926 -1.831 1.00 0.69 C ATOM 472 CG GLN A 32 14.169 3.031 -1.551 1.00 0.80 C ATOM 473 CD GLN A 32 14.466 1.570 -1.804 1.00 1.09 C ATOM 474 OE1 GLN A 32 14.286 1.065 -2.910 1.00 1.51 O ATOM 475 NE2 GLN A 32 14.923 0.880 -0.775 1.00 1.25 N ATOM 0 H GLN A 32 14.205 4.794 0.501 1.00 0.49 H new ATOM 0 HA GLN A 32 16.153 5.884 -1.452 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.500 4.005 -2.909 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.260 3.455 -1.429 1.00 0.69 H new ATOM 0 HG2 GLN A 32 13.858 3.161 -0.515 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.332 3.342 -2.176 1.00 0.80 H new ATOM 0 HE21 GLN A 32 15.058 1.338 0.126 1.00 1.25 H new ATOM 0 HE22 GLN A 32 15.141 -0.111 -0.882 1.00 1.25 H new ATOM 484 N TYR A 33 13.721 7.228 -1.306 1.00 0.47 N ATOM 485 CA TYR A 33 12.624 8.045 -1.823 1.00 0.47 C ATOM 486 C TYR A 33 12.924 8.553 -3.236 1.00 0.46 C ATOM 487 O TYR A 33 12.052 9.104 -3.907 1.00 0.50 O ATOM 488 CB TYR A 33 12.322 9.209 -0.868 1.00 0.57 C ATOM 489 CG TYR A 33 13.201 10.434 -1.046 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.516 10.453 -0.589 1.00 1.35 C ATOM 491 CD2 TYR A 33 12.704 11.578 -1.662 1.00 1.41 C ATOM 492 CE1 TYR A 33 15.307 11.577 -0.745 1.00 1.55 C ATOM 493 CE2 TYR A 33 13.490 12.703 -1.818 1.00 1.59 C ATOM 494 CZ TYR A 33 14.788 12.698 -1.359 1.00 1.27 C ATOM 495 OH TYR A 33 15.563 13.823 -1.511 1.00 1.61 O ATOM 0 H TYR A 33 14.176 7.610 -0.477 1.00 0.47 H new ATOM 0 HA TYR A 33 11.736 7.416 -1.885 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.281 9.506 -1.000 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.425 8.853 0.157 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.924 9.578 -0.106 1.00 1.35 H new ATOM 0 HD2 TYR A 33 11.687 11.587 -2.024 1.00 1.41 H new ATOM 0 HE1 TYR A 33 16.326 11.577 -0.388 1.00 1.55 H new ATOM 0 HE2 TYR A 33 13.088 13.583 -2.298 1.00 1.59 H new ATOM 0 HH TYR A 33 15.043 14.519 -1.964 1.00 1.61 H new ATOM 505 N ARG A 34 14.164 8.358 -3.677 1.00 0.47 N ATOM 506 CA ARG A 34 14.588 8.764 -5.011 1.00 0.53 C ATOM 507 C ARG A 34 13.860 7.938 -6.066 1.00 0.48 C ATOM 508 O ARG A 34 13.517 8.433 -7.138 1.00 0.56 O ATOM 509 CB ARG A 34 16.093 8.550 -5.186 1.00 0.64 C ATOM 510 CG ARG A 34 16.969 9.450 -4.333 1.00 1.12 C ATOM 511 CD ARG A 34 18.437 9.106 -4.531 1.00 1.55 C ATOM 512 NE ARG A 34 19.336 10.055 -3.876 1.00 2.28 N ATOM 513 CZ ARG A 34 20.577 10.310 -4.296 1.00 2.92 C ATOM 514 NH1 ARG A 34 21.064 9.688 -5.364 1.00 2.94 N ATOM 515 NH2 ARG A 34 21.333 11.178 -3.639 1.00 3.97 N ATOM 0 H ARG A 34 14.898 7.917 -3.123 1.00 0.47 H new ATOM 0 HA ARG A 34 14.351 9.821 -5.131 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.327 7.511 -4.952 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.348 8.706 -6.234 1.00 0.64 H new ATOM 0 HG2 ARG A 34 16.795 10.493 -4.597 1.00 1.12 H new ATOM 0 HG3 ARG A 34 16.702 9.338 -3.282 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.626 8.106 -4.142 1.00 1.55 H new ATOM 0 HD3 ARG A 34 18.658 9.080 -5.598 1.00 1.55 H new ATOM 0 HE ARG A 34 18.996 10.550 -3.052 1.00 2.28 H new ATOM 0 HH11 ARG A 34 20.489 9.012 -5.867 1.00 2.94 H new ATOM 0 HH12 ARG A 34 22.013 9.886 -5.681 1.00 2.94 H new ATOM 0 HH21 ARG A 34 20.966 11.651 -2.813 1.00 3.97 H new ATOM 0 HH22 ARG A 34 22.281 11.373 -3.959 1.00 3.97 H new ATOM 529 N ASP A 35 13.622 6.673 -5.741 1.00 0.46 N ATOM 530 CA ASP A 35 12.954 5.759 -6.656 1.00 0.50 C ATOM 531 C ASP A 35 11.506 5.536 -6.239 1.00 0.41 C ATOM 532 O ASP A 35 10.919 4.490 -6.521 1.00 0.38 O ATOM 533 CB ASP A 35 13.702 4.423 -6.715 1.00 0.68 C ATOM 534 CG ASP A 35 14.859 4.447 -7.695 1.00 1.04 C ATOM 535 OD1 ASP A 35 14.625 4.263 -8.907 1.00 1.58 O ATOM 536 OD2 ASP A 35 16.013 4.658 -7.261 1.00 1.70 O ATOM 0 H ASP A 35 13.883 6.257 -4.847 1.00 0.46 H new ATOM 0 HA ASP A 35 12.958 6.208 -7.649 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.077 4.176 -5.722 1.00 0.68 H new ATOM 0 HB3 ASP A 35 13.006 3.633 -6.999 1.00 0.68 H new ATOM 541 N ALA A 36 10.936 6.537 -5.570 1.00 0.40 N ATOM 542 CA ALA A 36 9.548 6.479 -5.112 1.00 0.37 C ATOM 543 C ALA A 36 8.584 6.122 -6.253 1.00 0.32 C ATOM 544 O ALA A 36 7.781 5.201 -6.110 1.00 0.33 O ATOM 545 CB ALA A 36 9.142 7.798 -4.457 1.00 0.43 C ATOM 0 H ALA A 36 11.418 7.404 -5.332 1.00 0.40 H new ATOM 0 HA ALA A 36 9.482 5.684 -4.369 1.00 0.37 H new ATOM 0 HB1 ALA A 36 8.106 7.735 -4.123 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.788 7.993 -3.601 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.242 8.609 -5.179 1.00 0.43 H new ATOM 551 N PRO A 37 8.636 6.827 -7.409 1.00 0.35 N ATOM 552 CA PRO A 37 7.747 6.523 -8.536 1.00 0.37 C ATOM 553 C PRO A 37 8.009 5.134 -9.116 1.00 0.35 C ATOM 554 O PRO A 37 7.099 4.485 -9.635 1.00 0.42 O ATOM 555 CB PRO A 37 8.084 7.605 -9.572 1.00 0.46 C ATOM 556 CG PRO A 37 9.449 8.070 -9.208 1.00 0.50 C ATOM 557 CD PRO A 37 9.522 7.968 -7.713 1.00 0.42 C ATOM 0 HA PRO A 37 6.699 6.520 -8.235 1.00 0.37 H new ATOM 0 HB2 PRO A 37 8.060 7.203 -10.585 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.365 8.424 -9.537 1.00 0.46 H new ATOM 0 HG2 PRO A 37 10.213 7.453 -9.681 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.616 9.095 -9.540 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.541 7.789 -7.371 1.00 0.42 H new ATOM 0 HD3 PRO A 37 9.180 8.883 -7.230 1.00 0.42 H new ATOM 565 N LYS A 38 9.253 4.674 -8.992 1.00 0.34 N ATOM 566 CA LYS A 38 9.652 3.374 -9.516 1.00 0.36 C ATOM 567 C LYS A 38 9.079 2.240 -8.672 1.00 0.34 C ATOM 568 O LYS A 38 8.536 1.272 -9.205 1.00 0.39 O ATOM 569 CB LYS A 38 11.182 3.268 -9.577 1.00 0.41 C ATOM 570 CG LYS A 38 11.692 2.015 -10.283 1.00 0.60 C ATOM 571 CD LYS A 38 11.148 1.894 -11.701 1.00 1.32 C ATOM 572 CE LYS A 38 11.640 3.024 -12.593 1.00 2.00 C ATOM 573 NZ LYS A 38 10.638 3.380 -13.630 1.00 2.78 N ATOM 0 H LYS A 38 10.004 5.187 -8.530 1.00 0.34 H new ATOM 0 HA LYS A 38 9.251 3.282 -10.525 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.576 4.146 -10.088 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.578 3.286 -8.561 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.781 2.035 -10.314 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.405 1.134 -9.709 1.00 0.60 H new ATOM 0 HD2 LYS A 38 11.451 0.937 -12.126 1.00 1.32 H new ATOM 0 HD3 LYS A 38 10.058 1.900 -11.674 1.00 1.32 H new ATOM 0 HE2 LYS A 38 11.860 3.900 -11.983 1.00 2.00 H new ATOM 0 HE3 LYS A 38 12.572 2.729 -13.074 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 11.001 4.165 -14.208 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 10.460 2.555 -14.238 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 9.751 3.670 -13.171 1.00 2.78 H new ATOM 587 N VAL A 39 9.192 2.356 -7.357 1.00 0.31 N ATOM 588 CA VAL A 39 8.673 1.327 -6.468 1.00 0.31 C ATOM 589 C VAL A 39 7.148 1.363 -6.441 1.00 0.29 C ATOM 590 O VAL A 39 6.500 0.351 -6.180 1.00 0.31 O ATOM 591 CB VAL A 39 9.235 1.455 -5.035 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.744 1.278 -5.042 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.858 2.787 -4.410 1.00 0.33 C ATOM 0 H VAL A 39 9.634 3.145 -6.885 1.00 0.31 H new ATOM 0 HA VAL A 39 9.003 0.366 -6.863 1.00 0.31 H new ATOM 0 HB VAL A 39 8.791 0.666 -4.428 1.00 0.34 H new ATOM 0 HG11 VAL A 39 11.126 1.371 -4.025 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.993 0.292 -5.435 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.197 2.044 -5.671 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.269 2.845 -3.402 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.262 3.600 -5.014 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.772 2.873 -4.365 1.00 0.33 H new ATOM 603 N ALA A 40 6.582 2.529 -6.739 1.00 0.27 N ATOM 604 CA ALA A 40 5.135 2.692 -6.762 1.00 0.28 C ATOM 605 C ALA A 40 4.527 1.902 -7.916 1.00 0.28 C ATOM 606 O ALA A 40 3.574 1.143 -7.733 1.00 0.29 O ATOM 607 CB ALA A 40 4.768 4.162 -6.878 1.00 0.32 C ATOM 0 H ALA A 40 7.105 3.374 -6.968 1.00 0.27 H new ATOM 0 HA ALA A 40 4.730 2.306 -5.826 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.683 4.266 -6.894 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.172 4.706 -6.025 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.185 4.570 -7.799 1.00 0.32 H new ATOM 613 N GLU A 41 5.097 2.076 -9.106 1.00 0.31 N ATOM 614 CA GLU A 41 4.617 1.376 -10.290 1.00 0.36 C ATOM 615 C GLU A 41 4.922 -0.117 -10.177 1.00 0.35 C ATOM 616 O GLU A 41 4.144 -0.957 -10.629 1.00 0.38 O ATOM 617 CB GLU A 41 5.238 1.966 -11.565 1.00 0.44 C ATOM 618 CG GLU A 41 6.755 1.901 -11.605 1.00 0.52 C ATOM 619 CD GLU A 41 7.351 2.726 -12.729 1.00 0.74 C ATOM 620 OE1 GLU A 41 6.927 2.555 -13.889 1.00 1.40 O ATOM 621 OE2 GLU A 41 8.252 3.548 -12.459 1.00 1.37 O ATOM 0 H GLU A 41 5.890 2.695 -9.274 1.00 0.31 H new ATOM 0 HA GLU A 41 3.537 1.506 -10.356 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.840 1.435 -12.429 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.927 3.006 -11.659 1.00 0.44 H new ATOM 0 HG2 GLU A 41 7.154 2.251 -10.653 1.00 0.52 H new ATOM 0 HG3 GLU A 41 7.066 0.863 -11.719 1.00 0.52 H new ATOM 628 N MET A 42 6.050 -0.435 -9.543 1.00 0.35 N ATOM 629 CA MET A 42 6.459 -1.820 -9.344 1.00 0.40 C ATOM 630 C MET A 42 5.483 -2.520 -8.404 1.00 0.35 C ATOM 631 O MET A 42 5.125 -3.682 -8.608 1.00 0.35 O ATOM 632 CB MET A 42 7.880 -1.873 -8.775 1.00 0.51 C ATOM 633 CG MET A 42 8.543 -3.234 -8.904 1.00 1.09 C ATOM 634 SD MET A 42 10.289 -3.212 -8.435 1.00 0.98 S ATOM 635 CE MET A 42 10.962 -2.059 -9.632 1.00 1.51 C ATOM 0 H MET A 42 6.697 0.253 -9.158 1.00 0.35 H new ATOM 0 HA MET A 42 6.451 -2.335 -10.305 1.00 0.40 H new ATOM 0 HB2 MET A 42 8.494 -1.131 -9.286 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.850 -1.592 -7.722 1.00 0.51 H new ATOM 0 HG2 MET A 42 8.013 -3.952 -8.278 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.453 -3.581 -9.933 1.00 1.09 H new ATOM 0 HE1 MET A 42 12.037 -2.216 -9.724 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.488 -2.221 -10.600 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.771 -1.038 -9.301 1.00 1.51 H new ATOM 645 N TRP A 43 5.059 -1.793 -7.374 1.00 0.32 N ATOM 646 CA TRP A 43 4.104 -2.300 -6.396 1.00 0.30 C ATOM 647 C TRP A 43 2.785 -2.611 -7.086 1.00 0.27 C ATOM 648 O TRP A 43 2.206 -3.683 -6.895 1.00 0.28 O ATOM 649 CB TRP A 43 3.888 -1.264 -5.287 1.00 0.30 C ATOM 650 CG TRP A 43 2.868 -1.661 -4.259 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.978 -2.655 -3.331 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.583 -1.062 -4.052 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.839 -2.710 -2.561 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.969 -1.742 -2.984 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.892 -0.015 -4.668 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.300 -1.406 -2.517 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.367 0.316 -4.206 1.00 0.39 C ATOM 658 CH2 TRP A 43 -0.952 -0.376 -3.140 1.00 0.41 C ATOM 0 H TRP A 43 5.368 -0.838 -7.195 1.00 0.32 H new ATOM 0 HA TRP A 43 4.498 -3.213 -5.949 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.839 -1.082 -4.786 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.581 -0.322 -5.741 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.834 -3.304 -3.217 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.670 -3.366 -1.798 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.335 0.526 -5.491 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.753 -1.939 -1.694 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -0.909 1.123 -4.676 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -1.938 -0.092 -2.802 1.00 0.41 H new ATOM 669 N LYS A 44 2.330 -1.664 -7.897 1.00 0.27 N ATOM 670 CA LYS A 44 1.090 -1.812 -8.644 1.00 0.28 C ATOM 671 C LYS A 44 1.128 -3.067 -9.516 1.00 0.30 C ATOM 672 O LYS A 44 0.193 -3.867 -9.509 1.00 0.31 O ATOM 673 CB LYS A 44 0.859 -0.565 -9.504 1.00 0.32 C ATOM 674 CG LYS A 44 -0.095 -0.781 -10.664 1.00 0.46 C ATOM 675 CD LYS A 44 -0.236 0.471 -11.509 1.00 0.66 C ATOM 676 CE LYS A 44 -0.772 0.142 -12.889 1.00 1.03 C ATOM 677 NZ LYS A 44 -1.378 1.328 -13.545 1.00 1.11 N ATOM 0 H LYS A 44 2.808 -0.777 -8.054 1.00 0.27 H new ATOM 0 HA LYS A 44 0.264 -1.920 -7.941 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.470 0.233 -8.871 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.818 -0.223 -9.895 1.00 0.32 H new ATOM 0 HG2 LYS A 44 0.265 -1.601 -11.285 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.073 -1.076 -10.282 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -0.906 1.174 -11.014 1.00 0.66 H new ATOM 0 HD3 LYS A 44 0.732 0.963 -11.600 1.00 0.66 H new ATOM 0 HE2 LYS A 44 0.037 -0.243 -13.510 1.00 1.03 H new ATOM 0 HE3 LYS A 44 -1.517 -0.649 -12.810 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 -1.330 1.216 -14.578 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -2.372 1.416 -13.252 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 -0.857 2.184 -13.265 1.00 1.11 H new ATOM 691 N GLU A 45 2.227 -3.238 -10.246 1.00 0.35 N ATOM 692 CA GLU A 45 2.403 -4.389 -11.122 1.00 0.41 C ATOM 693 C GLU A 45 2.298 -5.700 -10.344 1.00 0.40 C ATOM 694 O GLU A 45 1.628 -6.634 -10.779 1.00 0.46 O ATOM 695 CB GLU A 45 3.761 -4.311 -11.818 1.00 0.51 C ATOM 696 CG GLU A 45 3.749 -3.480 -13.089 1.00 0.73 C ATOM 697 CD GLU A 45 3.203 -4.253 -14.269 1.00 1.21 C ATOM 698 OE1 GLU A 45 3.925 -5.129 -14.794 1.00 1.76 O ATOM 699 OE2 GLU A 45 2.054 -3.998 -14.676 1.00 1.96 O ATOM 0 H GLU A 45 3.013 -2.588 -10.247 1.00 0.35 H new ATOM 0 HA GLU A 45 1.608 -4.370 -11.867 1.00 0.41 H new ATOM 0 HB2 GLU A 45 4.490 -3.890 -11.126 1.00 0.51 H new ATOM 0 HB3 GLU A 45 4.095 -5.321 -12.058 1.00 0.51 H new ATOM 0 HG2 GLU A 45 3.146 -2.586 -12.931 1.00 0.73 H new ATOM 0 HG3 GLU A 45 4.762 -3.146 -13.313 1.00 0.73 H new ATOM 706 N TYR A 46 2.951 -5.750 -9.188 1.00 0.39 N ATOM 707 CA TYR A 46 2.943 -6.943 -8.346 1.00 0.42 C ATOM 708 C TYR A 46 1.547 -7.223 -7.791 1.00 0.40 C ATOM 709 O TYR A 46 1.077 -8.361 -7.809 1.00 0.45 O ATOM 710 CB TYR A 46 3.940 -6.779 -7.190 1.00 0.45 C ATOM 711 CG TYR A 46 3.984 -7.957 -6.240 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.628 -9.138 -6.590 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.381 -7.887 -4.990 1.00 1.06 C ATOM 714 CE1 TYR A 46 4.667 -10.213 -5.723 1.00 1.58 C ATOM 715 CE2 TYR A 46 3.417 -8.956 -4.117 1.00 1.12 C ATOM 716 CZ TYR A 46 4.059 -10.117 -4.488 1.00 1.03 C ATOM 717 OH TYR A 46 4.093 -11.187 -3.624 1.00 1.27 O ATOM 0 H TYR A 46 3.495 -4.974 -8.810 1.00 0.39 H new ATOM 0 HA TYR A 46 3.239 -7.791 -8.964 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.936 -6.622 -7.603 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.683 -5.882 -6.627 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.106 -9.217 -7.555 1.00 1.39 H new ATOM 0 HD2 TYR A 46 2.875 -6.979 -4.696 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.171 -11.124 -6.010 1.00 1.58 H new ATOM 0 HE2 TYR A 46 2.944 -8.882 -3.149 1.00 1.12 H new ATOM 0 HH TYR A 46 4.868 -11.750 -3.831 1.00 1.27 H new ATOM 727 N MET A 47 0.883 -6.178 -7.316 1.00 0.36 N ATOM 728 CA MET A 47 -0.451 -6.314 -6.738 1.00 0.39 C ATOM 729 C MET A 47 -1.480 -6.731 -7.790 1.00 0.37 C ATOM 730 O MET A 47 -2.457 -7.417 -7.480 1.00 0.43 O ATOM 731 CB MET A 47 -0.882 -5.003 -6.078 1.00 0.42 C ATOM 732 CG MET A 47 -0.036 -4.624 -4.874 1.00 0.57 C ATOM 733 SD MET A 47 -0.392 -5.633 -3.424 1.00 0.70 S ATOM 734 CE MET A 47 -1.939 -4.908 -2.880 1.00 0.37 C ATOM 0 H MET A 47 1.245 -5.225 -7.319 1.00 0.36 H new ATOM 0 HA MET A 47 -0.404 -7.099 -5.983 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.832 -4.201 -6.814 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.924 -5.087 -5.768 1.00 0.42 H new ATOM 0 HG2 MET A 47 1.019 -4.724 -5.131 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.207 -3.575 -4.632 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.497 -5.639 -2.295 1.00 0.37 H new ATOM 0 HE2 MET A 47 -1.734 -4.031 -2.266 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.528 -4.613 -3.749 1.00 0.37 H new ATOM 744 N LEU A 48 -1.248 -6.336 -9.035 1.00 0.37 N ATOM 745 CA LEU A 48 -2.163 -6.663 -10.122 1.00 0.41 C ATOM 746 C LEU A 48 -1.751 -7.955 -10.827 1.00 0.46 C ATOM 747 O LEU A 48 -2.144 -8.204 -11.967 1.00 0.59 O ATOM 748 CB LEU A 48 -2.233 -5.507 -11.127 1.00 0.45 C ATOM 749 CG LEU A 48 -2.790 -4.191 -10.573 1.00 0.57 C ATOM 750 CD1 LEU A 48 -2.865 -3.141 -11.671 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.162 -4.411 -9.953 1.00 0.88 C ATOM 0 H LEU A 48 -0.435 -5.789 -9.318 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.152 -6.817 -9.691 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.231 -5.324 -11.515 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -2.850 -5.817 -11.970 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.115 -3.831 -9.796 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.263 -2.213 -11.260 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -1.867 -2.962 -12.072 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.519 -3.494 -12.468 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.542 -3.466 -9.565 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -4.846 -4.794 -10.710 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.082 -5.131 -9.139 1.00 0.88 H new ATOM 763 N ARG A 49 -0.941 -8.768 -10.159 1.00 0.46 N ATOM 764 CA ARG A 49 -0.516 -10.042 -10.727 1.00 0.53 C ATOM 765 C ARG A 49 -1.536 -11.126 -10.398 1.00 0.54 C ATOM 766 O ARG A 49 -1.988 -11.235 -9.255 1.00 0.49 O ATOM 767 CB ARG A 49 0.857 -10.461 -10.195 1.00 0.60 C ATOM 768 CG ARG A 49 2.013 -9.623 -10.714 1.00 0.74 C ATOM 769 CD ARG A 49 2.198 -9.772 -12.214 1.00 1.01 C ATOM 770 NE ARG A 49 3.565 -9.449 -12.624 1.00 1.38 N ATOM 771 CZ ARG A 49 3.901 -8.378 -13.345 1.00 1.90 C ATOM 772 NH1 ARG A 49 2.982 -7.489 -13.708 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.170 -8.185 -13.685 1.00 2.69 N ATOM 0 H ARG A 49 -0.568 -8.570 -9.231 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.444 -9.916 -11.807 1.00 0.53 H new ATOM 0 HB2 ARG A 49 0.844 -10.406 -9.106 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.033 -11.504 -10.459 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.837 -8.575 -10.473 1.00 0.74 H new ATOM 0 HG3 ARG A 49 2.931 -9.917 -10.205 1.00 0.74 H new ATOM 0 HD2 ARG A 49 1.961 -10.794 -12.510 1.00 1.01 H new ATOM 0 HD3 ARG A 49 1.498 -9.118 -12.734 1.00 1.01 H new ATOM 0 HE ARG A 49 4.310 -10.085 -12.340 1.00 1.38 H new ATOM 0 HH11 ARG A 49 2.008 -7.622 -13.435 1.00 2.19 H new ATOM 0 HH12 ARG A 49 3.251 -6.674 -14.259 1.00 2.19 H new ATOM 0 HH21 ARG A 49 5.883 -8.854 -13.395 1.00 2.69 H new ATOM 0 HH22 ARG A 49 5.432 -7.368 -14.236 1.00 2.69 H new ATOM 787 N PRO A 50 -1.917 -11.937 -11.393 1.00 0.65 N ATOM 788 CA PRO A 50 -2.888 -13.015 -11.201 1.00 0.71 C ATOM 789 C PRO A 50 -2.296 -14.204 -10.447 1.00 0.73 C ATOM 790 O PRO A 50 -3.020 -14.994 -9.845 1.00 0.78 O ATOM 791 CB PRO A 50 -3.253 -13.420 -12.629 1.00 0.89 C ATOM 792 CG PRO A 50 -2.058 -13.069 -13.443 1.00 0.94 C ATOM 793 CD PRO A 50 -1.452 -11.853 -12.794 1.00 0.77 C ATOM 0 HA PRO A 50 -3.740 -12.693 -10.602 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -3.476 -14.485 -12.693 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -4.138 -12.888 -12.977 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -1.346 -13.894 -13.466 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.338 -12.861 -14.476 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.364 -11.866 -12.856 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -1.788 -10.934 -13.273 1.00 0.77 H new ATOM 801 N SER A 51 -0.976 -14.322 -10.482 1.00 0.75 N ATOM 802 CA SER A 51 -0.287 -15.414 -9.811 1.00 0.84 C ATOM 803 C SER A 51 -0.067 -15.110 -8.331 1.00 0.76 C ATOM 804 O SER A 51 0.207 -16.008 -7.536 1.00 0.90 O ATOM 805 CB SER A 51 1.053 -15.670 -10.502 1.00 0.96 C ATOM 806 OG SER A 51 0.940 -15.479 -11.905 1.00 1.33 O ATOM 0 H SER A 51 -0.360 -13.672 -10.970 1.00 0.75 H new ATOM 0 HA SER A 51 -0.910 -16.306 -9.875 1.00 0.84 H new ATOM 0 HB2 SER A 51 1.810 -14.998 -10.098 1.00 0.96 H new ATOM 0 HB3 SER A 51 1.386 -16.687 -10.294 1.00 0.96 H new ATOM 0 HG SER A 51 1.808 -15.646 -12.329 1.00 1.33 H new ATOM 812 N VAL A 52 -0.206 -13.845 -7.960 1.00 0.59 N ATOM 813 CA VAL A 52 -0.008 -13.436 -6.579 1.00 0.56 C ATOM 814 C VAL A 52 -1.225 -13.795 -5.727 1.00 0.50 C ATOM 815 O VAL A 52 -2.364 -13.472 -6.074 1.00 0.51 O ATOM 816 CB VAL A 52 0.297 -11.924 -6.481 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.254 -11.445 -5.038 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.654 -11.623 -7.094 1.00 0.57 C ATOM 0 H VAL A 52 -0.455 -13.087 -8.595 1.00 0.59 H new ATOM 0 HA VAL A 52 0.855 -13.978 -6.193 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.473 -11.388 -7.036 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.473 -10.378 -5.002 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.738 -11.626 -4.624 1.00 0.58 H new ATOM 0 HG13 VAL A 52 0.996 -11.987 -4.452 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.858 -10.555 -7.019 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.425 -12.178 -6.560 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.653 -11.920 -8.143 1.00 0.57 H new ATOM 828 N ASN A 53 -0.966 -14.493 -4.629 1.00 0.51 N ATOM 829 CA ASN A 53 -2.009 -14.920 -3.703 1.00 0.52 C ATOM 830 C ASN A 53 -2.653 -13.720 -3.006 1.00 0.48 C ATOM 831 O ASN A 53 -1.998 -12.702 -2.781 1.00 0.47 O ATOM 832 CB ASN A 53 -1.415 -15.877 -2.666 1.00 0.61 C ATOM 833 CG ASN A 53 -2.463 -16.471 -1.747 1.00 1.09 C ATOM 834 OD1 ASN A 53 -2.763 -15.915 -0.692 1.00 1.80 O ATOM 835 ND2 ASN A 53 -3.025 -17.600 -2.139 1.00 1.64 N ATOM 0 H ASN A 53 -0.026 -14.780 -4.354 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.785 -15.434 -4.270 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -0.891 -16.682 -3.180 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.675 -15.345 -2.069 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -3.737 -18.044 -1.559 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -2.747 -18.028 -3.022 1.00 1.64 H new ATOM 842 N THR A 54 -3.932 -13.848 -2.669 1.00 0.48 N ATOM 843 CA THR A 54 -4.675 -12.783 -2.002 1.00 0.49 C ATOM 844 C THR A 54 -3.994 -12.329 -0.707 1.00 0.47 C ATOM 845 O THR A 54 -3.941 -11.137 -0.407 1.00 0.47 O ATOM 846 CB THR A 54 -6.109 -13.244 -1.678 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.537 -14.210 -2.647 1.00 0.75 O ATOM 848 CG2 THR A 54 -7.071 -12.066 -1.673 1.00 0.81 C ATOM 0 H THR A 54 -4.481 -14.688 -2.849 1.00 0.48 H new ATOM 0 HA THR A 54 -4.701 -11.939 -2.692 1.00 0.49 H new ATOM 0 HB THR A 54 -6.109 -13.694 -0.685 1.00 0.57 H new ATOM 0 HG1 THR A 54 -6.324 -15.111 -2.326 1.00 0.75 H new ATOM 0 HG21 THR A 54 -8.076 -12.418 -1.442 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.757 -11.343 -0.920 1.00 0.81 H new ATOM 0 HG23 THR A 54 -7.070 -11.591 -2.654 1.00 0.81 H new ATOM 856 N ARG A 55 -3.453 -13.282 0.044 1.00 0.50 N ATOM 857 CA ARG A 55 -2.786 -12.973 1.302 1.00 0.54 C ATOM 858 C ARG A 55 -1.499 -12.191 1.052 1.00 0.49 C ATOM 859 O ARG A 55 -1.086 -11.378 1.874 1.00 0.50 O ATOM 860 CB ARG A 55 -2.487 -14.255 2.079 1.00 0.65 C ATOM 861 CG ARG A 55 -3.723 -15.101 2.353 1.00 0.94 C ATOM 862 CD ARG A 55 -3.384 -16.349 3.149 1.00 1.52 C ATOM 863 NE ARG A 55 -2.403 -17.191 2.466 1.00 2.10 N ATOM 864 CZ ARG A 55 -1.148 -17.372 2.886 1.00 2.74 C ATOM 865 NH1 ARG A 55 -0.704 -16.742 3.970 1.00 3.00 N ATOM 866 NH2 ARG A 55 -0.334 -18.176 2.211 1.00 3.58 N ATOM 0 H ARG A 55 -3.464 -14.273 -0.197 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.455 -12.353 1.899 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -1.766 -14.850 1.519 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -2.017 -13.995 3.027 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -4.456 -14.508 2.900 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -4.185 -15.386 1.408 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.995 -16.060 4.126 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -4.293 -16.924 3.325 1.00 1.52 H new ATOM 0 HE ARG A 55 -2.696 -17.671 1.615 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -1.323 -16.116 4.486 1.00 3.00 H new ATOM 0 HH12 ARG A 55 0.255 -16.884 4.286 1.00 3.00 H new ATOM 0 HH21 ARG A 55 -0.668 -18.654 1.374 1.00 3.58 H new ATOM 0 HH22 ARG A 55 0.625 -18.316 2.530 1.00 3.58 H new ATOM 880 N ARG A 56 -0.878 -12.431 -0.099 1.00 0.49 N ATOM 881 CA ARG A 56 0.350 -11.735 -0.463 1.00 0.48 C ATOM 882 C ARG A 56 0.044 -10.270 -0.744 1.00 0.43 C ATOM 883 O ARG A 56 0.828 -9.383 -0.409 1.00 0.46 O ATOM 884 CB ARG A 56 1.007 -12.387 -1.682 1.00 0.53 C ATOM 885 CG ARG A 56 1.943 -13.534 -1.334 1.00 0.67 C ATOM 886 CD ARG A 56 3.258 -13.021 -0.765 1.00 0.84 C ATOM 887 NE ARG A 56 3.710 -13.813 0.379 1.00 1.55 N ATOM 888 CZ ARG A 56 4.507 -13.346 1.339 1.00 2.18 C ATOM 889 NH1 ARG A 56 4.990 -12.113 1.266 1.00 2.58 N ATOM 890 NH2 ARG A 56 4.848 -14.120 2.365 1.00 3.05 N ATOM 0 H ARG A 56 -1.205 -13.102 -0.794 1.00 0.49 H new ATOM 0 HA ARG A 56 1.050 -11.802 0.370 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.228 -12.756 -2.349 1.00 0.53 H new ATOM 0 HB3 ARG A 56 1.565 -11.629 -2.231 1.00 0.53 H new ATOM 0 HG2 ARG A 56 1.462 -14.191 -0.609 1.00 0.67 H new ATOM 0 HG3 ARG A 56 2.138 -14.130 -2.225 1.00 0.67 H new ATOM 0 HD2 ARG A 56 4.021 -13.041 -1.543 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.140 -11.981 -0.461 1.00 0.84 H new ATOM 0 HE ARG A 56 3.396 -14.781 0.446 1.00 1.55 H new ATOM 0 HH11 ARG A 56 4.752 -11.518 0.473 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.600 -11.760 2.003 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.499 -15.077 2.420 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.459 -13.757 3.097 1.00 3.05 H new ATOM 904 N LYS A 57 -1.115 -10.029 -1.347 1.00 0.38 N ATOM 905 CA LYS A 57 -1.551 -8.675 -1.654 1.00 0.36 C ATOM 906 C LYS A 57 -1.900 -7.951 -0.356 1.00 0.35 C ATOM 907 O LYS A 57 -1.700 -6.745 -0.226 1.00 0.36 O ATOM 908 CB LYS A 57 -2.760 -8.700 -2.594 1.00 0.37 C ATOM 909 CG LYS A 57 -2.526 -9.494 -3.870 1.00 0.39 C ATOM 910 CD LYS A 57 -3.684 -9.352 -4.848 1.00 0.59 C ATOM 911 CE LYS A 57 -3.508 -10.266 -6.050 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.069 -9.673 -7.292 1.00 0.46 N ATOM 0 H LYS A 57 -1.770 -10.757 -1.633 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.743 -8.144 -2.157 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.613 -9.124 -2.064 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.026 -7.676 -2.857 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.606 -9.154 -4.345 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.387 -10.546 -3.622 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.620 -9.589 -4.343 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.755 -8.317 -5.183 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.448 -10.473 -6.195 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -3.995 -11.221 -5.853 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -4.034 -10.375 -8.058 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.056 -9.390 -7.126 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.510 -8.839 -7.562 1.00 0.46 H new ATOM 926 N LEU A 58 -2.413 -8.712 0.609 1.00 0.36 N ATOM 927 CA LEU A 58 -2.775 -8.174 1.914 1.00 0.37 C ATOM 928 C LEU A 58 -1.532 -7.633 2.613 1.00 0.37 C ATOM 929 O LEU A 58 -1.560 -6.566 3.228 1.00 0.38 O ATOM 930 CB LEU A 58 -3.430 -9.264 2.770 1.00 0.42 C ATOM 931 CG LEU A 58 -3.812 -8.844 4.190 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.076 -7.995 4.178 1.00 1.26 C ATOM 933 CD2 LEU A 58 -3.991 -10.067 5.076 1.00 1.15 C ATOM 0 H LEU A 58 -2.588 -9.712 0.507 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.488 -7.361 1.778 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.327 -9.613 2.259 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.748 -10.112 2.832 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.003 -8.240 4.600 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.330 -7.707 5.198 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.907 -7.100 3.579 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.896 -8.570 3.748 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.263 -9.750 6.083 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -4.781 -10.699 4.669 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.058 -10.630 5.112 1.00 1.15 H new ATOM 945 N LEU A 59 -0.437 -8.376 2.488 1.00 0.38 N ATOM 946 CA LEU A 59 0.833 -7.989 3.088 1.00 0.40 C ATOM 947 C LEU A 59 1.376 -6.742 2.400 1.00 0.37 C ATOM 948 O LEU A 59 1.952 -5.863 3.043 1.00 0.38 O ATOM 949 CB LEU A 59 1.841 -9.141 2.985 1.00 0.45 C ATOM 950 CG LEU A 59 1.890 -10.103 4.184 1.00 0.63 C ATOM 951 CD1 LEU A 59 0.492 -10.426 4.696 1.00 1.54 C ATOM 952 CD2 LEU A 59 2.618 -11.380 3.799 1.00 1.21 C ATOM 0 H LEU A 59 -0.405 -9.256 1.973 1.00 0.38 H new ATOM 0 HA LEU A 59 0.673 -7.764 4.142 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.612 -9.719 2.090 1.00 0.45 H new ATOM 0 HB3 LEU A 59 2.835 -8.716 2.844 1.00 0.45 H new ATOM 0 HG LEU A 59 2.434 -9.610 4.990 1.00 0.63 H new ATOM 0 HD11 LEU A 59 0.563 -11.108 5.543 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -0.002 -9.507 5.011 1.00 1.54 H new ATOM 0 HD13 LEU A 59 -0.087 -10.895 3.901 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.647 -12.054 4.655 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.094 -11.863 2.974 1.00 1.21 H new ATOM 0 HD23 LEU A 59 3.636 -11.140 3.491 1.00 1.21 H new ATOM 964 N GLY A 60 1.169 -6.668 1.087 1.00 0.37 N ATOM 965 CA GLY A 60 1.623 -5.522 0.320 1.00 0.37 C ATOM 966 C GLY A 60 0.864 -4.265 0.693 1.00 0.35 C ATOM 967 O GLY A 60 1.397 -3.157 0.618 1.00 0.36 O ATOM 0 H GLY A 60 0.693 -7.385 0.540 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.689 -5.368 0.491 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.496 -5.722 -0.744 1.00 0.37 H new ATOM 971 N LEU A 61 -0.389 -4.448 1.100 1.00 0.35 N ATOM 972 CA LEU A 61 -1.240 -3.340 1.513 1.00 0.36 C ATOM 973 C LEU A 61 -0.667 -2.671 2.752 1.00 0.35 C ATOM 974 O LEU A 61 -0.600 -1.445 2.834 1.00 0.36 O ATOM 975 CB LEU A 61 -2.653 -3.838 1.811 1.00 0.40 C ATOM 976 CG LEU A 61 -3.636 -3.748 0.650 1.00 0.52 C ATOM 977 CD1 LEU A 61 -4.889 -4.544 0.967 1.00 1.23 C ATOM 978 CD2 LEU A 61 -3.982 -2.296 0.358 1.00 1.10 C ATOM 0 H LEU A 61 -0.839 -5.362 1.152 1.00 0.35 H new ATOM 0 HA LEU A 61 -1.280 -2.616 0.699 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.593 -4.877 2.134 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -3.053 -3.266 2.648 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.170 -4.172 -0.239 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -5.586 -4.474 0.132 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -4.624 -5.588 1.132 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -5.358 -4.142 1.865 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -4.685 -2.250 -0.474 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -4.435 -1.845 1.241 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -3.075 -1.751 0.097 1.00 1.10 H new ATOM 990 N TYR A 62 -0.245 -3.493 3.707 1.00 0.36 N ATOM 991 CA TYR A 62 0.328 -2.995 4.951 1.00 0.37 C ATOM 992 C TYR A 62 1.603 -2.213 4.676 1.00 0.34 C ATOM 993 O TYR A 62 1.854 -1.183 5.296 1.00 0.35 O ATOM 994 CB TYR A 62 0.629 -4.149 5.911 1.00 0.44 C ATOM 995 CG TYR A 62 -0.591 -4.949 6.322 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.832 -4.340 6.487 1.00 1.30 C ATOM 997 CD2 TYR A 62 -0.496 -6.314 6.554 1.00 1.23 C ATOM 998 CE1 TYR A 62 -2.939 -5.071 6.870 1.00 1.38 C ATOM 999 CE2 TYR A 62 -1.598 -7.050 6.940 1.00 1.35 C ATOM 1000 CZ TYR A 62 -2.818 -6.425 7.097 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.917 -7.159 7.486 1.00 1.10 O ATOM 0 H TYR A 62 -0.290 -4.510 3.642 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.403 -2.333 5.415 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.348 -4.820 5.441 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.105 -3.748 6.806 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.930 -3.279 6.313 1.00 1.30 H new ATOM 0 HD2 TYR A 62 0.456 -6.809 6.430 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -3.895 -4.584 6.991 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -1.506 -8.111 7.118 1.00 1.35 H new ATOM 0 HH TYR A 62 -3.659 -8.097 7.602 1.00 1.10 H new ATOM 1011 N LEU A 63 2.396 -2.708 3.733 1.00 0.33 N ATOM 1012 CA LEU A 63 3.653 -2.065 3.366 1.00 0.34 C ATOM 1013 C LEU A 63 3.401 -0.655 2.835 1.00 0.32 C ATOM 1014 O LEU A 63 4.043 0.305 3.266 1.00 0.35 O ATOM 1015 CB LEU A 63 4.392 -2.915 2.317 1.00 0.36 C ATOM 1016 CG LEU A 63 5.873 -2.569 2.080 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.017 -1.532 0.975 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.528 -2.076 3.361 1.00 1.45 C ATOM 0 H LEU A 63 2.190 -3.557 3.206 1.00 0.33 H new ATOM 0 HA LEU A 63 4.278 -1.985 4.255 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.329 -3.961 2.618 1.00 0.36 H new ATOM 0 HB3 LEU A 63 3.863 -2.824 1.368 1.00 0.36 H new ATOM 0 HG LEU A 63 6.383 -3.479 1.765 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.072 -1.304 0.826 1.00 1.21 H new ATOM 0 HD12 LEU A 63 5.596 -1.926 0.050 1.00 1.21 H new ATOM 0 HD13 LEU A 63 5.485 -0.623 1.257 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.574 -1.838 3.167 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.012 -1.183 3.713 1.00 1.45 H new ATOM 0 HD23 LEU A 63 6.468 -2.853 4.123 1.00 1.45 H new ATOM 1030 N MET A 64 2.457 -0.539 1.906 1.00 0.31 N ATOM 1031 CA MET A 64 2.118 0.749 1.315 1.00 0.34 C ATOM 1032 C MET A 64 1.586 1.697 2.383 1.00 0.32 C ATOM 1033 O MET A 64 2.034 2.836 2.497 1.00 0.33 O ATOM 1034 CB MET A 64 1.078 0.567 0.204 1.00 0.38 C ATOM 1035 CG MET A 64 0.888 1.798 -0.677 1.00 0.61 C ATOM 1036 SD MET A 64 -0.276 2.997 0.007 1.00 0.47 S ATOM 1037 CE MET A 64 -1.800 2.058 -0.011 1.00 0.50 C ATOM 0 H MET A 64 1.913 -1.323 1.546 1.00 0.31 H new ATOM 0 HA MET A 64 3.020 1.181 0.882 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.375 -0.273 -0.423 1.00 0.38 H new ATOM 0 HB3 MET A 64 0.121 0.305 0.656 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.853 2.283 -0.824 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.537 1.482 -1.659 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.585 2.648 -0.484 1.00 0.50 H new ATOM 0 HE2 MET A 64 -1.652 1.135 -0.572 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.092 1.818 1.012 1.00 0.50 H new ATOM 1047 N ASN A 65 0.646 1.202 3.178 1.00 0.34 N ATOM 1048 CA ASN A 65 0.037 1.987 4.248 1.00 0.36 C ATOM 1049 C ASN A 65 1.087 2.481 5.244 1.00 0.35 C ATOM 1050 O ASN A 65 1.055 3.631 5.680 1.00 0.41 O ATOM 1051 CB ASN A 65 -1.024 1.144 4.967 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.515 1.775 6.256 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.353 2.674 6.245 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -1.008 1.292 7.378 1.00 1.69 N ATOM 0 H ASN A 65 0.285 0.251 3.102 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.436 2.863 3.804 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.872 0.991 4.299 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.610 0.160 5.186 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -1.311 1.666 8.277 1.00 1.69 H new ATOM 0 HD22 ASN A 65 -0.314 0.545 7.344 1.00 1.69 H new ATOM 1061 N HIS A 66 2.028 1.613 5.578 1.00 0.34 N ATOM 1062 CA HIS A 66 3.080 1.946 6.528 1.00 0.37 C ATOM 1063 C HIS A 66 4.036 3.000 5.964 1.00 0.36 C ATOM 1064 O HIS A 66 4.338 3.992 6.631 1.00 0.40 O ATOM 1065 CB HIS A 66 3.862 0.681 6.900 1.00 0.44 C ATOM 1066 CG HIS A 66 4.560 0.757 8.227 1.00 0.61 C ATOM 1067 ND1 HIS A 66 4.470 -0.267 9.139 1.00 1.54 N ATOM 1068 CD2 HIS A 66 5.344 1.736 8.740 1.00 1.09 C ATOM 1069 CE1 HIS A 66 5.195 0.111 10.180 1.00 1.46 C ATOM 1070 NE2 HIS A 66 5.745 1.318 9.982 1.00 1.04 N ATOM 0 H HIS A 66 2.086 0.666 5.203 1.00 0.34 H new ATOM 0 HA HIS A 66 2.609 2.364 7.418 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.176 -0.166 6.911 1.00 0.44 H new ATOM 0 HB3 HIS A 66 4.601 0.483 6.124 1.00 0.44 H new ATOM 0 HD2 HIS A 66 5.604 2.669 8.261 1.00 1.09 H new ATOM 0 HE1 HIS A 66 5.327 -0.478 11.076 1.00 1.46 H new ATOM 0 HE2 HIS A 66 6.346 1.827 10.631 1.00 1.04 H new ATOM 1078 N VAL A 67 4.492 2.797 4.729 1.00 0.35 N ATOM 1079 CA VAL A 67 5.444 3.715 4.111 1.00 0.39 C ATOM 1080 C VAL A 67 4.861 5.115 3.900 1.00 0.39 C ATOM 1081 O VAL A 67 5.569 6.105 4.071 1.00 0.48 O ATOM 1082 CB VAL A 67 6.006 3.156 2.775 1.00 0.42 C ATOM 1083 CG1 VAL A 67 4.980 3.218 1.654 1.00 1.16 C ATOM 1084 CG2 VAL A 67 7.276 3.895 2.377 1.00 1.40 C ATOM 0 H VAL A 67 4.219 2.010 4.141 1.00 0.35 H new ATOM 0 HA VAL A 67 6.269 3.806 4.817 1.00 0.39 H new ATOM 0 HB VAL A 67 6.246 2.105 2.939 1.00 0.42 H new ATOM 0 HG11 VAL A 67 5.416 2.817 0.739 1.00 1.16 H new ATOM 0 HG12 VAL A 67 4.106 2.628 1.928 1.00 1.16 H new ATOM 0 HG13 VAL A 67 4.682 4.254 1.490 1.00 1.16 H new ATOM 0 HG21 VAL A 67 7.654 3.489 1.439 1.00 1.40 H new ATOM 0 HG22 VAL A 67 7.056 4.955 2.251 1.00 1.40 H new ATOM 0 HG23 VAL A 67 8.028 3.771 3.156 1.00 1.40 H new ATOM 1094 N VAL A 68 3.576 5.212 3.564 1.00 0.34 N ATOM 1095 CA VAL A 68 2.959 6.518 3.341 1.00 0.37 C ATOM 1096 C VAL A 68 2.630 7.208 4.662 1.00 0.39 C ATOM 1097 O VAL A 68 2.576 8.438 4.734 1.00 0.43 O ATOM 1098 CB VAL A 68 1.688 6.436 2.462 1.00 0.38 C ATOM 1099 CG1 VAL A 68 2.038 5.907 1.080 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.613 5.581 3.114 1.00 0.37 C ATOM 0 H VAL A 68 2.950 4.416 3.442 1.00 0.34 H new ATOM 0 HA VAL A 68 3.697 7.111 2.801 1.00 0.37 H new ATOM 0 HB VAL A 68 1.283 7.443 2.359 1.00 0.38 H new ATOM 0 HG11 VAL A 68 1.135 5.854 0.471 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.757 6.575 0.606 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.473 4.912 1.171 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.265 5.546 2.469 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.993 4.571 3.265 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.339 6.013 4.077 1.00 0.37 H new ATOM 1110 N GLN A 69 2.424 6.414 5.710 1.00 0.39 N ATOM 1111 CA GLN A 69 2.115 6.953 7.028 1.00 0.45 C ATOM 1112 C GLN A 69 3.357 7.611 7.623 1.00 0.45 C ATOM 1113 O GLN A 69 3.327 8.775 8.028 1.00 0.50 O ATOM 1114 CB GLN A 69 1.618 5.839 7.959 1.00 0.52 C ATOM 1115 CG GLN A 69 0.521 6.273 8.928 1.00 0.82 C ATOM 1116 CD GLN A 69 0.951 7.388 9.866 1.00 1.26 C ATOM 1117 OE1 GLN A 69 0.740 8.568 9.588 1.00 1.83 O ATOM 1118 NE2 GLN A 69 1.559 7.024 10.985 1.00 2.02 N ATOM 0 H GLN A 69 2.466 5.396 5.670 1.00 0.39 H new ATOM 0 HA GLN A 69 1.327 7.699 6.925 1.00 0.45 H new ATOM 0 HB2 GLN A 69 1.245 5.014 7.352 1.00 0.52 H new ATOM 0 HB3 GLN A 69 2.463 5.457 8.532 1.00 0.52 H new ATOM 0 HG2 GLN A 69 -0.348 6.603 8.358 1.00 0.82 H new ATOM 0 HG3 GLN A 69 0.207 5.412 9.519 1.00 0.82 H new ATOM 0 HE21 GLN A 69 1.717 6.036 11.181 1.00 2.02 H new ATOM 0 HE22 GLN A 69 1.870 7.732 11.650 1.00 2.02 H new ATOM 1127 N GLN A 70 4.457 6.870 7.641 1.00 0.44 N ATOM 1128 CA GLN A 70 5.708 7.376 8.189 1.00 0.49 C ATOM 1129 C GLN A 70 6.325 8.421 7.264 1.00 0.46 C ATOM 1130 O GLN A 70 7.211 9.177 7.668 1.00 0.49 O ATOM 1131 CB GLN A 70 6.682 6.222 8.435 1.00 0.58 C ATOM 1132 CG GLN A 70 6.241 5.306 9.568 1.00 0.78 C ATOM 1133 CD GLN A 70 6.185 6.011 10.909 1.00 1.39 C ATOM 1134 OE1 GLN A 70 5.235 5.852 11.673 1.00 2.10 O ATOM 1135 NE2 GLN A 70 7.210 6.788 11.212 1.00 2.02 N ATOM 0 H GLN A 70 4.508 5.916 7.282 1.00 0.44 H new ATOM 0 HA GLN A 70 5.497 7.860 9.143 1.00 0.49 H new ATOM 0 HB2 GLN A 70 6.783 5.638 7.521 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.667 6.628 8.665 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.257 4.898 9.336 1.00 0.78 H new ATOM 0 HG3 GLN A 70 6.928 4.463 9.635 1.00 0.78 H new ATOM 0 HE21 GLN A 70 7.981 6.896 10.553 1.00 2.02 H new ATOM 0 HE22 GLN A 70 7.230 7.280 12.105 1.00 2.02 H new ATOM 1144 N ALA A 71 5.839 8.472 6.026 1.00 0.46 N ATOM 1145 CA ALA A 71 6.329 9.438 5.049 1.00 0.47 C ATOM 1146 C ALA A 71 6.000 10.859 5.490 1.00 0.46 C ATOM 1147 O ALA A 71 6.695 11.811 5.125 1.00 0.48 O ATOM 1148 CB ALA A 71 5.739 9.165 3.673 1.00 0.51 C ATOM 0 H ALA A 71 5.106 7.855 5.677 1.00 0.46 H new ATOM 0 HA ALA A 71 7.412 9.333 4.986 1.00 0.47 H new ATOM 0 HB1 ALA A 71 6.119 9.898 2.962 1.00 0.51 H new ATOM 0 HB2 ALA A 71 6.022 8.164 3.348 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.652 9.237 3.722 1.00 0.51 H new ATOM 1154 N LYS A 72 4.950 10.999 6.294 1.00 0.49 N ATOM 1155 CA LYS A 72 4.535 12.307 6.789 1.00 0.55 C ATOM 1156 C LYS A 72 5.542 12.836 7.806 1.00 0.54 C ATOM 1157 O LYS A 72 5.613 14.039 8.053 1.00 0.59 O ATOM 1158 CB LYS A 72 3.141 12.235 7.423 1.00 0.66 C ATOM 1159 CG LYS A 72 2.085 11.610 6.526 1.00 0.84 C ATOM 1160 CD LYS A 72 0.701 12.187 6.790 1.00 1.07 C ATOM 1161 CE LYS A 72 0.529 13.559 6.146 1.00 1.60 C ATOM 1162 NZ LYS A 72 -0.820 14.136 6.403 1.00 2.09 N ATOM 0 H LYS A 72 4.372 10.223 6.616 1.00 0.49 H new ATOM 0 HA LYS A 72 4.495 12.990 5.941 1.00 0.55 H new ATOM 0 HB2 LYS A 72 3.203 11.661 8.348 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.824 13.242 7.693 1.00 0.66 H new ATOM 0 HG2 LYS A 72 2.353 11.773 5.482 1.00 0.84 H new ATOM 0 HG3 LYS A 72 2.065 10.532 6.686 1.00 0.84 H new ATOM 0 HD2 LYS A 72 -0.057 11.506 6.403 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.539 12.267 7.865 1.00 1.07 H new ATOM 0 HE2 LYS A 72 1.291 14.237 6.530 1.00 1.60 H new ATOM 0 HE3 LYS A 72 0.688 13.476 5.071 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -0.787 15.167 6.274 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -1.506 13.725 5.737 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 -1.111 13.919 7.378 1.00 2.09 H new ATOM 1176 N GLY A 73 6.324 11.929 8.388 1.00 0.54 N ATOM 1177 CA GLY A 73 7.318 12.320 9.369 1.00 0.59 C ATOM 1178 C GLY A 73 8.518 12.994 8.731 1.00 0.56 C ATOM 1179 O GLY A 73 9.003 14.010 9.223 1.00 0.66 O ATOM 0 H GLY A 73 6.285 10.928 8.196 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.865 12.998 10.093 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.648 11.439 9.920 1.00 0.59 H new ATOM 1183 N GLN A 74 8.992 12.431 7.627 1.00 0.52 N ATOM 1184 CA GLN A 74 10.142 12.991 6.916 1.00 0.55 C ATOM 1185 C GLN A 74 9.684 13.973 5.844 1.00 0.51 C ATOM 1186 O GLN A 74 10.505 14.565 5.139 1.00 0.56 O ATOM 1187 CB GLN A 74 10.983 11.879 6.283 1.00 0.62 C ATOM 1188 CG GLN A 74 12.095 11.361 7.186 1.00 0.80 C ATOM 1189 CD GLN A 74 13.246 10.755 6.405 1.00 0.94 C ATOM 1190 OE1 GLN A 74 13.532 11.162 5.278 1.00 1.62 O ATOM 1191 NE2 GLN A 74 13.922 9.786 7.000 1.00 1.42 N ATOM 0 H GLN A 74 8.602 11.589 7.203 1.00 0.52 H new ATOM 0 HA GLN A 74 10.758 13.524 7.640 1.00 0.55 H new ATOM 0 HB2 GLN A 74 10.329 11.049 6.015 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.422 12.251 5.357 1.00 0.62 H new ATOM 0 HG2 GLN A 74 12.469 12.179 7.801 1.00 0.80 H new ATOM 0 HG3 GLN A 74 11.687 10.612 7.865 1.00 0.80 H new ATOM 0 HE21 GLN A 74 13.654 9.477 7.934 1.00 1.42 H new ATOM 0 HE22 GLN A 74 14.711 9.348 6.524 1.00 1.42 H new ATOM 1200 N LYS A 75 8.365 14.128 5.736 1.00 0.47 N ATOM 1201 CA LYS A 75 7.746 15.037 4.769 1.00 0.50 C ATOM 1202 C LYS A 75 8.059 14.613 3.337 1.00 0.47 C ATOM 1203 O LYS A 75 8.424 15.435 2.491 1.00 0.54 O ATOM 1204 CB LYS A 75 8.199 16.481 5.012 1.00 0.62 C ATOM 1205 CG LYS A 75 7.932 16.972 6.424 1.00 0.77 C ATOM 1206 CD LYS A 75 6.442 17.085 6.701 1.00 1.33 C ATOM 1207 CE LYS A 75 6.167 17.388 8.163 1.00 1.99 C ATOM 1208 NZ LYS A 75 6.854 18.626 8.609 1.00 2.70 N ATOM 0 H LYS A 75 7.693 13.626 6.317 1.00 0.47 H new ATOM 0 HA LYS A 75 6.666 14.986 4.909 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.266 16.558 4.805 1.00 0.62 H new ATOM 0 HB3 LYS A 75 7.690 17.137 4.306 1.00 0.62 H new ATOM 0 HG2 LYS A 75 8.386 16.287 7.141 1.00 0.77 H new ATOM 0 HG3 LYS A 75 8.405 17.943 6.568 1.00 0.77 H new ATOM 0 HD2 LYS A 75 6.014 17.871 6.079 1.00 1.33 H new ATOM 0 HD3 LYS A 75 5.948 16.154 6.422 1.00 1.33 H new ATOM 0 HE2 LYS A 75 5.093 17.493 8.316 1.00 1.99 H new ATOM 0 HE3 LYS A 75 6.496 16.549 8.776 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 6.523 18.883 9.561 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 7.881 18.464 8.631 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 6.639 19.400 7.948 1.00 2.70 H new ATOM 1222 N ILE A 76 7.913 13.325 3.070 1.00 0.42 N ATOM 1223 CA ILE A 76 8.169 12.790 1.745 1.00 0.42 C ATOM 1224 C ILE A 76 6.868 12.690 0.960 1.00 0.38 C ATOM 1225 O ILE A 76 6.278 11.615 0.832 1.00 0.40 O ATOM 1226 CB ILE A 76 8.844 11.400 1.796 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.075 11.429 2.708 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.236 10.951 0.394 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.176 12.343 2.216 1.00 0.63 C ATOM 0 H ILE A 76 7.618 12.630 3.756 1.00 0.42 H new ATOM 0 HA ILE A 76 8.854 13.477 1.249 1.00 0.42 H new ATOM 0 HB ILE A 76 8.129 10.686 2.206 1.00 0.46 H new ATOM 0 HG12 ILE A 76 9.770 11.747 3.705 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.470 10.417 2.803 1.00 0.55 H new ATOM 0 HG21 ILE A 76 9.710 9.971 0.445 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.345 10.891 -0.231 1.00 0.49 H new ATOM 0 HG23 ILE A 76 9.934 11.669 -0.036 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.014 12.311 2.913 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.510 12.014 1.232 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.799 13.363 2.149 1.00 0.63 H new ATOM 1241 N ILE A 77 6.421 13.826 0.439 1.00 0.40 N ATOM 1242 CA ILE A 77 5.193 13.885 -0.345 1.00 0.42 C ATOM 1243 C ILE A 77 5.377 13.157 -1.671 1.00 0.39 C ATOM 1244 O ILE A 77 4.411 12.817 -2.351 1.00 0.40 O ATOM 1245 CB ILE A 77 4.760 15.340 -0.614 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.946 16.168 -1.121 1.00 0.59 C ATOM 1247 CG2 ILE A 77 4.166 15.959 0.645 1.00 0.57 C ATOM 1248 CD1 ILE A 77 5.577 17.575 -1.540 1.00 0.86 C ATOM 0 H ILE A 77 6.893 14.724 0.546 1.00 0.40 H new ATOM 0 HA ILE A 77 4.411 13.397 0.236 1.00 0.42 H new ATOM 0 HB ILE A 77 3.992 15.337 -1.388 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.702 16.219 -0.338 1.00 0.59 H new ATOM 0 HG13 ILE A 77 6.399 15.654 -1.969 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.865 16.986 0.438 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.296 15.382 0.958 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.911 15.952 1.440 1.00 0.57 H new ATOM 0 HD11 ILE A 77 6.469 18.097 -1.886 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.844 17.534 -2.346 1.00 0.86 H new ATOM 0 HD13 ILE A 77 5.152 18.108 -0.690 1.00 0.86 H new ATOM 1260 N GLN A 78 6.633 12.917 -2.022 1.00 0.41 N ATOM 1261 CA GLN A 78 6.974 12.226 -3.255 1.00 0.43 C ATOM 1262 C GLN A 78 6.396 10.815 -3.255 1.00 0.36 C ATOM 1263 O GLN A 78 5.924 10.328 -4.281 1.00 0.36 O ATOM 1264 CB GLN A 78 8.495 12.156 -3.428 1.00 0.52 C ATOM 1265 CG GLN A 78 9.154 13.490 -3.754 1.00 0.81 C ATOM 1266 CD GLN A 78 9.149 14.462 -2.589 1.00 1.36 C ATOM 1267 OE1 GLN A 78 9.109 14.063 -1.424 1.00 2.22 O ATOM 1268 NE2 GLN A 78 9.196 15.746 -2.899 1.00 1.73 N ATOM 0 H GLN A 78 7.439 13.195 -1.462 1.00 0.41 H new ATOM 0 HA GLN A 78 6.546 12.786 -4.086 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.935 11.762 -2.512 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.726 11.447 -4.223 1.00 0.52 H new ATOM 0 HG2 GLN A 78 10.183 13.312 -4.066 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.639 13.945 -4.600 1.00 0.81 H new ATOM 0 HE21 GLN A 78 9.228 16.034 -3.877 1.00 1.73 H new ATOM 0 HE22 GLN A 78 9.200 16.449 -2.160 1.00 1.73 H new ATOM 1277 N PHE A 79 6.420 10.175 -2.090 1.00 0.36 N ATOM 1278 CA PHE A 79 5.912 8.815 -1.948 1.00 0.36 C ATOM 1279 C PHE A 79 4.392 8.786 -2.017 1.00 0.33 C ATOM 1280 O PHE A 79 3.808 7.923 -2.666 1.00 0.36 O ATOM 1281 CB PHE A 79 6.370 8.208 -0.621 1.00 0.42 C ATOM 1282 CG PHE A 79 7.527 7.259 -0.755 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.468 6.194 -1.640 1.00 1.29 C ATOM 1284 CD2 PHE A 79 8.674 7.429 0.002 1.00 1.24 C ATOM 1285 CE1 PHE A 79 8.529 5.319 -1.768 1.00 1.34 C ATOM 1286 CE2 PHE A 79 9.738 6.555 -0.121 1.00 1.30 C ATOM 1287 CZ PHE A 79 9.665 5.499 -1.008 1.00 0.64 C ATOM 0 H PHE A 79 6.787 10.578 -1.228 1.00 0.36 H new ATOM 0 HA PHE A 79 6.312 8.227 -2.774 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.649 9.013 0.059 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.532 7.682 -0.164 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.581 6.046 -2.238 1.00 1.29 H new ATOM 0 HD2 PHE A 79 8.738 8.254 0.696 1.00 1.24 H new ATOM 0 HE1 PHE A 79 8.469 4.494 -2.463 1.00 1.34 H new ATOM 0 HE2 PHE A 79 10.626 6.698 0.477 1.00 1.30 H new ATOM 0 HZ PHE A 79 10.496 4.816 -1.106 1.00 0.64 H new ATOM 1297 N GLN A 80 3.761 9.747 -1.360 1.00 0.33 N ATOM 1298 CA GLN A 80 2.308 9.824 -1.321 1.00 0.38 C ATOM 1299 C GLN A 80 1.730 10.187 -2.686 1.00 0.33 C ATOM 1300 O GLN A 80 0.599 9.827 -3.007 1.00 0.39 O ATOM 1301 CB GLN A 80 1.874 10.823 -0.254 1.00 0.48 C ATOM 1302 CG GLN A 80 2.315 10.410 1.140 1.00 0.60 C ATOM 1303 CD GLN A 80 2.702 11.584 2.012 1.00 0.75 C ATOM 1304 OE1 GLN A 80 3.096 12.639 1.521 1.00 1.30 O ATOM 1305 NE2 GLN A 80 2.616 11.402 3.317 1.00 1.11 N ATOM 0 H GLN A 80 4.235 10.488 -0.844 1.00 0.33 H new ATOM 0 HA GLN A 80 1.916 8.841 -1.062 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.289 11.803 -0.488 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.789 10.923 -0.274 1.00 0.48 H new ATOM 0 HG2 GLN A 80 1.508 9.858 1.621 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.163 9.730 1.060 1.00 0.60 H new ATOM 0 HE21 GLN A 80 2.284 10.511 3.687 1.00 1.11 H new ATOM 0 HE22 GLN A 80 2.882 12.152 3.955 1.00 1.11 H new ATOM 1314 N ASP A 81 2.508 10.897 -3.489 1.00 0.33 N ATOM 1315 CA ASP A 81 2.067 11.277 -4.826 1.00 0.35 C ATOM 1316 C ASP A 81 2.149 10.080 -5.765 1.00 0.32 C ATOM 1317 O ASP A 81 1.187 9.755 -6.464 1.00 0.37 O ATOM 1318 CB ASP A 81 2.914 12.433 -5.375 1.00 0.41 C ATOM 1319 CG ASP A 81 2.648 12.711 -6.846 1.00 0.52 C ATOM 1320 OD1 ASP A 81 3.294 12.070 -7.711 1.00 1.32 O ATOM 1321 OD2 ASP A 81 1.806 13.579 -7.151 1.00 1.16 O ATOM 0 H ASP A 81 3.443 11.221 -3.242 1.00 0.33 H new ATOM 0 HA ASP A 81 1.032 11.611 -4.761 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.709 13.334 -4.797 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.970 12.200 -5.239 1.00 0.41 H new ATOM 1326 N SER A 82 3.295 9.408 -5.754 1.00 0.31 N ATOM 1327 CA SER A 82 3.515 8.255 -6.614 1.00 0.32 C ATOM 1328 C SER A 82 2.630 7.078 -6.210 1.00 0.29 C ATOM 1329 O SER A 82 1.958 6.479 -7.049 1.00 0.30 O ATOM 1330 CB SER A 82 4.991 7.852 -6.583 1.00 0.36 C ATOM 1331 OG SER A 82 5.513 7.933 -5.268 1.00 0.94 O ATOM 0 H SER A 82 4.087 9.644 -5.156 1.00 0.31 H new ATOM 0 HA SER A 82 3.243 8.536 -7.632 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.102 6.835 -6.960 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.563 8.502 -7.246 1.00 0.36 H new ATOM 0 HG SER A 82 5.958 8.797 -5.145 1.00 0.94 H new ATOM 1337 N PHE A 83 2.624 6.754 -4.925 1.00 0.27 N ATOM 1338 CA PHE A 83 1.821 5.646 -4.425 1.00 0.26 C ATOM 1339 C PHE A 83 0.339 5.985 -4.449 1.00 0.26 C ATOM 1340 O PHE A 83 -0.494 5.107 -4.635 1.00 0.30 O ATOM 1341 CB PHE A 83 2.238 5.265 -3.002 1.00 0.27 C ATOM 1342 CG PHE A 83 3.260 4.167 -2.948 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.997 2.930 -3.513 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.479 4.371 -2.327 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.936 1.917 -3.460 1.00 1.22 C ATOM 1346 CE2 PHE A 83 5.419 3.362 -2.268 1.00 1.23 C ATOM 1347 CZ PHE A 83 5.147 2.132 -2.836 1.00 0.37 C ATOM 0 H PHE A 83 3.165 7.241 -4.210 1.00 0.27 H new ATOM 0 HA PHE A 83 1.996 4.796 -5.085 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.638 6.147 -2.501 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.354 4.955 -2.444 1.00 0.27 H new ATOM 0 HD1 PHE A 83 2.049 2.755 -4.000 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.698 5.331 -1.883 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.721 0.958 -3.907 1.00 1.22 H new ATOM 0 HE2 PHE A 83 6.366 3.534 -1.778 1.00 1.23 H new ATOM 0 HZ PHE A 83 5.881 1.341 -2.791 1.00 0.37 H new ATOM 1357 N GLY A 84 0.017 7.259 -4.279 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.369 7.686 -4.264 1.00 0.30 C ATOM 1359 C GLY A 84 -2.112 7.397 -5.554 1.00 0.30 C ATOM 1360 O GLY A 84 -3.181 6.785 -5.531 1.00 0.34 O ATOM 0 H GLY A 84 0.695 8.010 -4.150 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -1.883 7.191 -3.441 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.407 8.757 -4.066 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.544 7.824 -6.676 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.183 7.635 -7.977 1.00 0.36 C ATOM 1366 C LYS A 85 -2.405 6.156 -8.299 1.00 0.34 C ATOM 1367 O LYS A 85 -3.424 5.794 -8.889 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.368 8.312 -9.089 1.00 0.42 C ATOM 1369 CG LYS A 85 0.068 7.823 -9.198 1.00 0.48 C ATOM 1370 CD LYS A 85 0.915 8.733 -10.079 1.00 0.62 C ATOM 1371 CE LYS A 85 1.018 10.135 -9.498 1.00 0.96 C ATOM 1372 NZ LYS A 85 2.318 10.776 -9.819 1.00 1.31 N ATOM 0 H LYS A 85 -0.644 8.303 -6.713 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.164 8.108 -7.924 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.869 8.147 -10.043 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.361 9.388 -8.915 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.509 7.769 -8.203 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.077 6.812 -9.606 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.913 8.309 -10.188 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.479 8.783 -11.077 1.00 0.62 H new ATOM 0 HE2 LYS A 85 0.205 10.749 -9.886 1.00 0.96 H new ATOM 0 HE3 LYS A 85 0.894 10.089 -8.416 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 2.609 11.386 -9.028 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 3.038 10.042 -9.974 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 2.219 11.350 -10.680 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.468 5.304 -7.905 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.598 3.878 -8.177 1.00 0.29 C ATOM 1388 C VAL A 86 -2.478 3.196 -7.131 1.00 0.27 C ATOM 1389 O VAL A 86 -3.138 2.200 -7.426 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.226 3.162 -8.256 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.611 3.734 -9.390 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.531 3.250 -6.939 1.00 0.31 C ATOM 0 H VAL A 86 -0.621 5.570 -7.403 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.073 3.795 -9.155 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.417 2.108 -8.457 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.571 3.219 -9.430 1.00 0.38 H new ATOM 0 HG12 VAL A 86 0.086 3.596 -10.335 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.777 4.798 -9.219 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.488 2.736 -7.034 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.704 4.296 -6.688 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.056 2.780 -6.150 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.504 3.749 -5.921 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.304 3.191 -4.835 1.00 0.30 C ATOM 1404 C ALA A 87 -4.783 3.216 -5.182 1.00 0.28 C ATOM 1405 O ALA A 87 -5.504 2.259 -4.910 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.064 3.948 -3.536 1.00 0.38 C ATOM 0 H ALA A 87 -1.978 4.586 -5.668 1.00 0.29 H new ATOM 0 HA ALA A 87 -2.994 2.155 -4.697 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.672 3.512 -2.743 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.011 3.880 -3.264 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.337 4.995 -3.669 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.226 4.313 -5.789 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.622 4.464 -6.182 1.00 0.36 C ATOM 1414 C ALA A 88 -7.052 3.344 -7.127 1.00 0.34 C ATOM 1415 O ALA A 88 -8.199 2.897 -7.101 1.00 0.44 O ATOM 1416 CB ALA A 88 -6.838 5.820 -6.837 1.00 0.45 C ATOM 0 H ALA A 88 -4.636 5.112 -6.020 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.237 4.401 -5.284 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -7.884 5.922 -7.126 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -6.578 6.610 -6.132 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.207 5.901 -7.722 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.122 2.898 -7.956 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.390 1.830 -8.905 1.00 0.32 C ATOM 1424 C GLU A 89 -6.244 0.461 -8.240 1.00 0.29 C ATOM 1425 O GLU A 89 -7.153 -0.366 -8.297 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.439 1.944 -10.101 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.460 0.730 -11.017 1.00 0.55 C ATOM 1428 CD GLU A 89 -4.543 0.877 -12.213 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -3.610 1.704 -12.162 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -4.753 0.166 -13.218 1.00 1.56 O ATOM 0 H GLU A 89 -5.170 3.262 -7.990 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.417 1.928 -9.256 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.702 2.829 -10.680 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.424 2.093 -9.734 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -5.168 -0.153 -10.448 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -6.479 0.562 -11.366 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.102 0.243 -7.595 1.00 0.27 N ATOM 1438 CA VAL A 90 -4.813 -1.025 -6.931 1.00 0.28 C ATOM 1439 C VAL A 90 -5.866 -1.374 -5.881 1.00 0.27 C ATOM 1440 O VAL A 90 -6.420 -2.472 -5.897 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.419 -1.008 -6.269 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.197 -2.262 -5.434 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.330 -0.868 -7.323 1.00 0.32 C ATOM 0 H VAL A 90 -4.356 0.934 -7.518 1.00 0.27 H new ATOM 0 HA VAL A 90 -4.832 -1.789 -7.708 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.370 -0.146 -5.604 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.207 -2.225 -4.978 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -3.955 -2.317 -4.652 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.270 -3.142 -6.073 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.354 -0.858 -6.838 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.383 -1.709 -8.015 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.472 0.063 -7.872 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.157 -0.431 -4.991 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.130 -0.654 -3.927 1.00 0.28 C ATOM 1455 C LEU A 91 -8.512 -0.946 -4.500 1.00 0.27 C ATOM 1456 O LEU A 91 -9.233 -1.794 -3.984 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.197 0.550 -2.979 1.00 0.31 C ATOM 1458 CG LEU A 91 -6.280 0.469 -1.753 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -4.814 0.503 -2.162 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -6.591 1.601 -0.783 1.00 0.89 C ATOM 0 H LEU A 91 -5.732 0.496 -4.985 1.00 0.26 H new ATOM 0 HA LEU A 91 -6.800 -1.524 -3.359 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -6.946 1.449 -3.542 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.225 0.665 -2.636 1.00 0.31 H new ATOM 0 HG LEU A 91 -6.466 -0.481 -1.252 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -4.187 0.444 -1.273 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -4.599 -0.343 -2.815 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -4.606 1.432 -2.692 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.932 1.530 0.082 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -6.436 2.559 -1.280 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -7.628 1.526 -0.456 1.00 0.89 H new ATOM 1472 N GLY A 92 -8.867 -0.252 -5.577 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.159 -0.466 -6.197 1.00 0.31 C ATOM 1474 C GLY A 92 -10.236 -1.807 -6.902 1.00 0.33 C ATOM 1475 O GLY A 92 -11.309 -2.401 -7.014 1.00 0.41 O ATOM 0 H GLY A 92 -8.284 0.452 -6.029 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -10.939 -0.410 -5.438 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.354 0.332 -6.913 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.091 -2.286 -7.371 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.020 -3.560 -8.069 1.00 0.37 C ATOM 1481 C ARG A 93 -9.061 -4.726 -7.087 1.00 0.37 C ATOM 1482 O ARG A 93 -9.877 -5.633 -7.226 1.00 0.42 O ATOM 1483 CB ARG A 93 -7.746 -3.636 -8.917 1.00 0.43 C ATOM 1484 CG ARG A 93 -8.016 -3.815 -10.406 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.682 -5.150 -10.703 1.00 0.95 C ATOM 1486 NE ARG A 93 -7.840 -6.281 -10.318 1.00 1.84 N ATOM 1487 CZ ARG A 93 -7.199 -7.067 -11.182 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -7.282 -6.845 -12.489 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -6.477 -8.080 -10.731 1.00 3.46 N ATOM 0 H ARG A 93 -8.195 -1.807 -7.279 1.00 0.31 H new ATOM 0 HA ARG A 93 -9.888 -3.631 -8.724 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.165 -2.726 -8.768 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -7.134 -4.466 -8.565 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.653 -3.004 -10.760 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -7.078 -3.747 -10.956 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.631 -5.208 -10.171 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -8.909 -5.213 -11.767 1.00 0.95 H new ATOM 0 HE ARG A 93 -7.736 -6.482 -9.323 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -7.840 -6.067 -12.840 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -6.787 -7.453 -13.142 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -6.414 -8.255 -9.728 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -5.983 -8.686 -11.386 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.197 -4.684 -6.081 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.130 -5.752 -5.087 1.00 0.40 C ATOM 1505 C ILE A 94 -9.352 -5.748 -4.175 1.00 0.39 C ATOM 1506 O ILE A 94 -9.623 -6.728 -3.485 1.00 0.43 O ATOM 1507 CB ILE A 94 -6.849 -5.662 -4.231 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -6.810 -4.336 -3.463 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.616 -5.821 -5.112 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -5.599 -4.179 -2.573 1.00 0.50 C ATOM 0 H ILE A 94 -7.533 -3.924 -5.930 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.110 -6.688 -5.645 1.00 0.40 H new ATOM 0 HB ILE A 94 -6.854 -6.472 -3.502 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -6.833 -3.513 -4.177 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -7.710 -4.254 -2.853 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -4.718 -5.756 -4.497 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.646 -6.791 -5.608 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.600 -5.030 -5.862 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -5.644 -3.216 -2.064 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -5.584 -4.980 -1.834 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -4.694 -4.227 -3.178 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.093 -4.646 -4.182 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.297 -4.522 -3.365 1.00 0.40 C ATOM 1524 C ASN A 95 -12.299 -5.627 -3.708 1.00 0.43 C ATOM 1525 O ASN A 95 -13.007 -6.137 -2.835 1.00 0.51 O ATOM 1526 CB ASN A 95 -11.932 -3.136 -3.560 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.446 -3.175 -3.548 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -14.079 -3.307 -4.592 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.035 -3.057 -2.371 1.00 0.79 N ATOM 0 H ASN A 95 -9.881 -3.823 -4.746 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.017 -4.631 -2.317 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.584 -2.468 -2.772 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -11.592 -2.716 -4.506 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.053 -3.074 -2.306 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -13.472 -2.949 -1.527 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.332 -6.013 -4.976 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.244 -7.053 -5.429 1.00 0.48 C ATOM 1538 C GLN A 96 -12.541 -8.408 -5.476 1.00 0.49 C ATOM 1539 O GLN A 96 -13.131 -9.416 -5.866 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.819 -6.691 -6.799 1.00 0.59 C ATOM 1541 CG GLN A 96 -12.761 -6.410 -7.851 1.00 0.93 C ATOM 1542 CD GLN A 96 -13.233 -5.428 -8.903 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.799 -5.817 -9.921 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -12.999 -4.146 -8.669 1.00 1.14 N ATOM 0 H GLN A 96 -11.739 -5.622 -5.708 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.066 -7.127 -4.717 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -14.454 -7.507 -7.144 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.457 -5.813 -6.695 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -11.868 -6.016 -7.366 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.476 -7.345 -8.334 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.526 -3.862 -7.811 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -13.292 -3.442 -9.347 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.275 -8.424 -5.077 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.492 -9.655 -5.053 1.00 0.48 C ATOM 1555 C GLU A 97 -10.423 -10.200 -3.632 1.00 0.44 C ATOM 1556 O GLU A 97 -10.351 -11.409 -3.417 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.074 -9.410 -5.575 1.00 0.56 C ATOM 1558 CG GLU A 97 -9.014 -9.042 -7.049 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.619 -8.651 -7.499 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.680 -9.455 -7.324 1.00 1.33 O ATOM 1561 OE2 GLU A 97 -7.458 -7.542 -8.039 1.00 1.30 O ATOM 0 H GLU A 97 -10.767 -7.597 -4.765 1.00 0.42 H new ATOM 0 HA GLU A 97 -10.982 -10.382 -5.701 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.616 -8.611 -4.992 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.477 -10.307 -5.410 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.360 -9.887 -7.644 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.698 -8.215 -7.241 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.449 -9.290 -2.670 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.381 -9.654 -1.262 1.00 0.43 C ATOM 1570 C PHE A 98 -11.748 -10.078 -0.738 1.00 0.49 C ATOM 1571 O PHE A 98 -12.746 -9.394 -0.967 1.00 0.52 O ATOM 1572 CB PHE A 98 -9.858 -8.473 -0.437 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.365 -8.311 -0.476 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.664 -8.442 -1.664 1.00 1.22 C ATOM 1575 CD2 PHE A 98 -7.663 -8.020 0.681 1.00 1.34 C ATOM 1576 CE1 PHE A 98 -6.294 -8.290 -1.697 1.00 1.21 C ATOM 1577 CE2 PHE A 98 -6.292 -7.866 0.652 1.00 1.39 C ATOM 1578 CZ PHE A 98 -5.607 -8.001 -0.537 1.00 0.56 C ATOM 0 H PHE A 98 -10.517 -8.287 -2.840 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.697 -10.497 -1.165 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.322 -7.556 -0.801 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.172 -8.600 0.599 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.198 -8.666 -2.576 1.00 1.22 H new ATOM 0 HD2 PHE A 98 -8.194 -7.912 1.616 1.00 1.34 H new ATOM 0 HE1 PHE A 98 -5.760 -8.397 -2.630 1.00 1.21 H new ATOM 0 HE2 PHE A 98 -5.755 -7.640 1.561 1.00 1.39 H new ATOM 0 HZ PHE A 98 -4.534 -7.881 -0.560 1.00 0.56 H new ATOM 1588 N PRO A 99 -11.809 -11.219 -0.035 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.057 -11.729 0.540 1.00 0.70 C ATOM 1590 C PRO A 99 -13.602 -10.799 1.625 1.00 0.77 C ATOM 1591 O PRO A 99 -12.895 -9.909 2.097 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.658 -13.081 1.140 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.185 -12.993 1.340 1.00 0.82 C ATOM 1594 CD PRO A 99 -10.673 -12.113 0.236 1.00 0.63 C ATOM 0 HA PRO A 99 -13.850 -11.806 -0.204 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -13.174 -13.262 2.083 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -12.917 -13.902 0.471 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -10.948 -12.572 2.317 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -10.725 -13.980 1.298 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -9.787 -11.557 0.542 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.397 -12.692 -0.645 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.847 -11.035 2.025 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.525 -10.226 3.040 1.00 0.65 C ATOM 1604 C ARG A 100 -14.666 -9.993 4.286 1.00 0.61 C ATOM 1605 O ARG A 100 -14.643 -8.892 4.826 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.842 -10.893 3.436 1.00 0.83 C ATOM 1607 CG ARG A 100 -17.989 -10.593 2.481 1.00 1.54 C ATOM 1608 CD ARG A 100 -18.712 -9.311 2.863 1.00 2.05 C ATOM 1609 NE ARG A 100 -19.335 -9.410 4.181 1.00 2.97 N ATOM 1610 CZ ARG A 100 -19.509 -8.380 5.008 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -19.131 -7.158 4.645 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -20.075 -8.571 6.193 1.00 4.87 N ATOM 0 H ARG A 100 -15.419 -11.794 1.655 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.715 -9.249 2.596 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -16.693 -11.972 3.484 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.119 -10.565 4.438 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -17.604 -10.506 1.465 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -18.694 -11.424 2.485 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.006 -8.480 2.856 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -19.474 -9.088 2.117 1.00 2.05 H new ATOM 0 HE ARG A 100 -19.658 -10.328 4.488 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -18.706 -7.006 3.730 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -19.266 -6.372 5.281 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -20.376 -9.505 6.470 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -20.209 -7.783 6.827 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.952 -11.024 4.724 1.00 0.61 N ATOM 1627 CA ASP A 101 -13.109 -10.922 5.917 1.00 0.66 C ATOM 1628 C ASP A 101 -11.872 -10.064 5.671 1.00 0.59 C ATOM 1629 O ASP A 101 -11.555 -9.175 6.460 1.00 0.70 O ATOM 1630 CB ASP A 101 -12.680 -12.310 6.392 1.00 0.84 C ATOM 1631 CG ASP A 101 -13.802 -13.062 7.070 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -14.086 -12.774 8.252 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -14.415 -13.936 6.421 1.00 2.35 O ATOM 0 H ASP A 101 -13.938 -11.939 4.274 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.708 -10.440 6.689 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.323 -12.888 5.540 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -11.843 -12.211 7.083 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.181 -10.324 4.571 1.00 0.55 N ATOM 1639 CA LEU A 102 -9.966 -9.587 4.246 1.00 0.57 C ATOM 1640 C LEU A 102 -10.267 -8.147 3.836 1.00 0.54 C ATOM 1641 O LEU A 102 -9.545 -7.225 4.222 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.180 -10.298 3.142 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.479 -11.594 3.565 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.619 -12.130 2.431 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.633 -11.368 4.810 1.00 0.85 C ATOM 0 H LEU A 102 -11.439 -11.038 3.889 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.357 -9.555 5.149 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -9.862 -10.524 2.322 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.430 -9.610 2.752 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.245 -12.334 3.800 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -7.129 -13.050 2.749 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.247 -12.334 1.564 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -6.864 -11.390 2.166 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.145 -12.301 5.092 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -6.877 -10.611 4.604 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.271 -11.031 5.627 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.337 -7.942 3.075 1.00 0.50 N ATOM 1658 CA LYS A 103 -11.690 -6.598 2.630 1.00 0.54 C ATOM 1659 C LYS A 103 -12.210 -5.764 3.798 1.00 0.52 C ATOM 1660 O LYS A 103 -12.246 -4.534 3.728 1.00 0.56 O ATOM 1661 CB LYS A 103 -12.702 -6.634 1.479 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.124 -6.979 1.892 1.00 0.95 C ATOM 1663 CD LYS A 103 -15.002 -7.227 0.676 1.00 1.22 C ATOM 1664 CE LYS A 103 -15.088 -5.993 -0.209 1.00 1.66 C ATOM 1665 NZ LYS A 103 -15.617 -6.308 -1.559 1.00 2.36 N ATOM 0 H LYS A 103 -11.967 -8.678 2.757 1.00 0.50 H new ATOM 0 HA LYS A 103 -10.786 -6.123 2.249 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -12.707 -5.661 0.988 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -12.366 -7.362 0.741 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.117 -7.865 2.526 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.541 -6.166 2.486 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -14.602 -8.062 0.101 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -16.002 -7.514 1.000 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -15.729 -5.251 0.267 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -14.098 -5.546 -0.303 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -16.303 -5.579 -1.842 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -14.833 -6.330 -2.242 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -16.086 -7.236 -1.540 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.601 -6.439 4.876 1.00 0.51 N ATOM 1680 CA LYS A 104 -13.073 -5.753 6.069 1.00 0.56 C ATOM 1681 C LYS A 104 -11.900 -5.002 6.680 1.00 0.55 C ATOM 1682 O LYS A 104 -12.050 -3.911 7.230 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.652 -6.752 7.075 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.499 -6.108 8.160 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.085 -7.153 9.093 1.00 1.34 C ATOM 1686 CE LYS A 104 -15.985 -6.522 10.143 1.00 1.98 C ATOM 1687 NZ LYS A 104 -16.610 -7.542 11.027 1.00 2.57 N ATOM 0 H LYS A 104 -12.599 -7.457 4.945 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.868 -5.055 5.805 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -14.258 -7.483 6.540 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -12.833 -7.299 7.543 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -13.891 -5.407 8.731 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -15.304 -5.533 7.703 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -15.654 -7.880 8.514 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -14.278 -7.697 9.584 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -15.404 -5.826 10.747 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -16.765 -5.942 9.650 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -17.215 -7.069 11.728 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -17.186 -8.192 10.454 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -15.866 -8.079 11.517 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.721 -5.599 6.556 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.499 -4.994 7.055 1.00 0.60 C ATOM 1703 C LYS A 105 -9.066 -3.890 6.102 1.00 0.52 C ATOM 1704 O LYS A 105 -8.580 -2.843 6.526 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.389 -6.038 7.196 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.697 -7.126 8.215 1.00 0.88 C ATOM 1707 CD LYS A 105 -8.964 -6.545 9.594 1.00 1.26 C ATOM 1708 CE LYS A 105 -9.081 -7.638 10.644 1.00 1.76 C ATOM 1709 NZ LYS A 105 -9.353 -7.084 11.998 1.00 2.44 N ATOM 0 H LYS A 105 -10.588 -6.507 6.111 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.688 -4.574 8.043 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.213 -6.501 6.225 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.465 -5.536 7.482 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -9.565 -7.697 7.886 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -7.860 -7.822 8.269 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -8.158 -5.863 9.865 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -9.883 -5.960 9.572 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -9.881 -8.324 10.366 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -8.158 -8.218 10.668 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -9.425 -7.863 12.684 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -8.577 -6.449 12.276 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -10.247 -6.552 11.982 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.271 -4.134 4.810 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.931 -3.167 3.773 1.00 0.52 C ATOM 1725 C LEU A 106 -9.702 -1.870 3.997 1.00 0.45 C ATOM 1726 O LEU A 106 -9.173 -0.774 3.793 1.00 0.46 O ATOM 1727 CB LEU A 106 -9.259 -3.738 2.391 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.194 -2.742 1.228 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -7.767 -2.276 0.992 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -9.766 -3.369 -0.033 1.00 1.04 C ATOM 0 H LEU A 106 -9.674 -5.001 4.456 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.862 -2.958 3.823 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -8.570 -4.556 2.183 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -10.261 -4.166 2.423 1.00 0.65 H new ATOM 0 HG LEU A 106 -9.794 -1.870 1.489 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -7.747 -1.570 0.162 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -7.390 -1.789 1.891 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -7.139 -3.134 0.753 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -9.714 -2.651 -0.852 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.189 -4.257 -0.292 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -10.805 -3.649 0.139 1.00 1.04 H new ATOM 1742 N SER A 107 -10.949 -2.011 4.436 1.00 0.45 N ATOM 1743 CA SER A 107 -11.803 -0.865 4.711 1.00 0.46 C ATOM 1744 C SER A 107 -11.189 0.003 5.804 1.00 0.47 C ATOM 1745 O SER A 107 -11.251 1.227 5.743 1.00 0.51 O ATOM 1746 CB SER A 107 -13.197 -1.336 5.129 1.00 0.54 C ATOM 1747 OG SER A 107 -13.775 -2.176 4.139 1.00 1.15 O ATOM 0 H SER A 107 -11.391 -2.914 4.609 1.00 0.45 H new ATOM 0 HA SER A 107 -11.892 -0.269 3.803 1.00 0.46 H new ATOM 0 HB2 SER A 107 -13.133 -1.875 6.074 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.840 -0.472 5.297 1.00 0.54 H new ATOM 0 HG SER A 107 -13.247 -2.998 4.058 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.573 -0.642 6.789 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.937 0.069 7.892 1.00 0.55 C ATOM 1755 C ARG A 108 -8.684 0.795 7.410 1.00 0.54 C ATOM 1756 O ARG A 108 -8.402 1.913 7.838 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.575 -0.908 9.011 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.753 -1.314 9.879 1.00 1.10 C ATOM 1759 CD ARG A 108 -10.414 -2.524 10.732 1.00 1.49 C ATOM 1760 NE ARG A 108 -11.169 -2.551 11.984 1.00 2.15 N ATOM 1761 CZ ARG A 108 -10.717 -3.112 13.109 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -9.536 -3.712 13.120 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.446 -3.072 14.215 1.00 3.60 N ATOM 0 H ARG A 108 -10.501 -1.658 6.846 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.641 0.806 8.278 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -9.136 -1.803 8.570 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.810 -0.455 9.642 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -11.039 -0.481 10.521 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -11.613 -1.540 9.248 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -10.620 -3.433 10.167 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -9.347 -2.521 10.954 1.00 1.49 H new ATOM 0 HE ARG A 108 -12.092 -2.117 11.999 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.973 -3.745 12.270 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -9.190 -4.141 13.978 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -12.356 -2.612 14.210 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -11.097 -3.502 15.072 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.947 0.152 6.507 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.723 0.730 5.956 1.00 0.60 C ATOM 1779 C VAL A 109 -7.023 2.036 5.229 1.00 0.57 C ATOM 1780 O VAL A 109 -6.481 3.087 5.572 1.00 0.61 O ATOM 1781 CB VAL A 109 -6.023 -0.237 4.973 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -4.733 0.370 4.438 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -5.736 -1.570 5.644 1.00 1.25 C ATOM 0 H VAL A 109 -8.177 -0.772 6.140 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.057 0.918 6.798 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.697 -0.407 4.134 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -4.260 -0.330 3.749 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -4.958 1.299 3.914 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -4.056 0.576 5.267 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -5.243 -2.236 4.935 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -5.086 -1.412 6.505 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -6.672 -2.020 5.974 1.00 1.25 H new ATOM 1793 N VAL A 110 -7.908 1.967 4.242 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.274 3.144 3.465 1.00 0.59 C ATOM 1795 C VAL A 110 -8.989 4.175 4.335 1.00 0.54 C ATOM 1796 O VAL A 110 -8.897 5.378 4.089 1.00 0.54 O ATOM 1797 CB VAL A 110 -9.152 2.774 2.245 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.518 2.259 2.674 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -9.293 3.962 1.304 1.00 1.06 C ATOM 0 H VAL A 110 -8.385 1.110 3.961 1.00 0.54 H new ATOM 0 HA VAL A 110 -7.348 3.583 3.093 1.00 0.59 H new ATOM 0 HB VAL A 110 -8.651 1.967 1.710 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -11.106 2.009 1.791 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -10.394 1.369 3.291 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -11.034 3.029 3.248 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -9.914 3.681 0.453 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -9.759 4.793 1.834 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -8.308 4.265 0.950 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.678 3.698 5.364 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.402 4.574 6.272 1.00 0.59 C ATOM 1811 C ASN A 111 -9.443 5.544 6.947 1.00 0.57 C ATOM 1812 O ASN A 111 -9.600 6.757 6.846 1.00 0.60 O ATOM 1813 CB ASN A 111 -11.143 3.752 7.328 1.00 0.68 C ATOM 1814 CG ASN A 111 -12.271 4.522 7.982 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -12.856 5.427 7.386 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -12.590 4.161 9.211 1.00 1.74 N ATOM 0 H ASN A 111 -9.750 2.706 5.590 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.131 5.143 5.695 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -11.544 2.851 6.865 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.437 3.430 8.093 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -13.346 4.637 9.702 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -12.080 3.406 9.669 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.426 4.999 7.600 1.00 0.57 N ATOM 1824 CA ILE A 112 -7.436 5.811 8.297 1.00 0.61 C ATOM 1825 C ILE A 112 -6.670 6.704 7.322 1.00 0.57 C ATOM 1826 O ILE A 112 -6.348 7.851 7.641 1.00 0.62 O ATOM 1827 CB ILE A 112 -6.453 4.921 9.094 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -7.216 4.136 10.163 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -5.352 5.757 9.734 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -6.371 3.113 10.888 1.00 1.21 C ATOM 0 H ILE A 112 -8.264 3.994 7.662 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.970 6.451 8.999 1.00 0.61 H new ATOM 0 HB ILE A 112 -5.982 4.222 8.403 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -7.627 4.836 10.891 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -8.061 3.630 9.695 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.676 5.106 10.288 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.796 6.282 8.957 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.796 6.483 10.416 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -6.981 2.597 11.630 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -5.982 2.389 10.172 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -5.541 3.614 11.386 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.409 6.185 6.127 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.683 6.932 5.102 1.00 0.52 C ATOM 1844 C LEU A 113 -6.362 8.265 4.784 1.00 0.48 C ATOM 1845 O LEU A 113 -5.698 9.294 4.644 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.558 6.099 3.824 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.593 4.913 3.907 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.599 4.123 2.607 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.188 5.387 4.238 1.00 1.27 C ATOM 0 H LEU A 113 -6.690 5.247 5.842 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.690 7.145 5.497 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.546 5.724 3.556 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -5.235 6.753 3.014 1.00 0.56 H new ATOM 0 HG LEU A 113 -4.930 4.255 4.708 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -3.907 3.285 2.687 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -5.604 3.747 2.415 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.291 4.771 1.786 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.518 4.529 4.292 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.842 6.069 3.462 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.195 5.903 5.198 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.683 8.251 4.672 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.421 9.474 4.371 1.00 0.50 C ATOM 1863 C LYS A 114 -8.797 10.225 5.646 1.00 0.52 C ATOM 1864 O LYS A 114 -8.895 11.450 5.640 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.669 9.177 3.527 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.554 8.064 4.069 1.00 0.69 C ATOM 1867 CD LYS A 114 -11.788 8.613 4.767 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.748 7.498 5.149 1.00 1.33 C ATOM 1869 NZ LYS A 114 -13.957 8.011 5.847 1.00 1.69 N ATOM 0 H LYS A 114 -8.262 7.418 4.783 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.762 10.116 3.786 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.262 10.088 3.447 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.354 8.913 2.518 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.859 7.411 3.251 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -9.983 7.453 4.768 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -11.489 9.161 5.661 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -12.294 9.323 4.112 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -13.050 6.958 4.252 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.235 6.784 5.793 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.396 7.242 6.392 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -13.685 8.781 6.492 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -14.636 8.370 5.146 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.982 9.494 6.738 1.00 0.54 N ATOM 1884 CA GLU A 115 -9.347 10.107 8.013 1.00 0.61 C ATOM 1885 C GLU A 115 -8.231 10.998 8.546 1.00 0.61 C ATOM 1886 O GLU A 115 -8.489 12.063 9.106 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.678 9.036 9.050 1.00 0.68 C ATOM 1888 CG GLU A 115 -11.070 8.449 8.902 1.00 0.98 C ATOM 1889 CD GLU A 115 -12.144 9.510 8.802 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -12.043 10.537 9.505 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -13.101 9.320 8.024 1.00 2.20 O ATOM 0 H GLU A 115 -8.886 8.479 6.769 1.00 0.54 H new ATOM 0 HA GLU A 115 -10.227 10.724 7.833 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -8.945 8.233 8.975 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.579 9.466 10.047 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.102 7.821 8.012 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.280 7.804 9.755 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.992 10.559 8.369 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.834 11.312 8.840 1.00 0.62 C ATOM 1900 C ARG A 116 -5.245 12.165 7.722 1.00 0.58 C ATOM 1901 O ARG A 116 -4.205 12.800 7.901 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.771 10.352 9.380 1.00 0.67 C ATOM 1903 CG ARG A 116 -5.285 9.436 10.480 1.00 0.80 C ATOM 1904 CD ARG A 116 -5.118 10.063 11.855 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.724 10.046 12.289 1.00 1.74 N ATOM 1906 CZ ARG A 116 -3.333 10.026 13.561 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -4.227 10.042 14.541 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -2.042 9.980 13.850 1.00 3.23 N ATOM 0 H ARG A 116 -6.761 9.682 7.901 1.00 0.57 H new ATOM 0 HA ARG A 116 -6.161 11.976 9.640 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -4.391 9.744 8.559 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.931 10.931 9.763 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -6.338 9.214 10.306 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -4.749 8.488 10.445 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -5.480 11.091 11.833 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -5.731 9.525 12.578 1.00 1.19 H new ATOM 0 HE ARG A 116 -3.001 10.050 11.569 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -5.223 10.070 14.322 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -3.918 10.026 15.513 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -1.352 9.960 13.099 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -1.738 9.965 14.823 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.930 12.176 6.574 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.495 12.934 5.399 1.00 0.52 C ATOM 1924 C ASN A 117 -4.050 12.606 5.045 1.00 0.50 C ATOM 1925 O ASN A 117 -3.182 13.482 5.011 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.661 14.443 5.618 1.00 0.63 C ATOM 1927 CG ASN A 117 -7.051 14.936 5.266 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -7.943 14.968 6.114 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -7.240 15.339 4.016 1.00 1.74 N ATOM 0 H ASN A 117 -6.799 11.661 6.434 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.131 12.640 4.564 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -5.449 14.680 6.661 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.927 14.977 5.014 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -8.152 15.692 3.726 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -6.473 15.296 3.345 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.797 11.329 4.803 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.461 10.869 4.453 1.00 0.48 C ATOM 1938 C ILE A 118 -2.143 11.222 3.004 1.00 0.47 C ATOM 1939 O ILE A 118 -1.003 11.527 2.661 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.318 9.341 4.658 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.721 8.948 6.085 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -0.894 8.891 4.361 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.871 9.585 7.163 1.00 0.61 C ATOM 0 H ILE A 118 -4.500 10.591 4.843 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.755 11.372 5.114 1.00 0.48 H new ATOM 0 HB ILE A 118 -2.989 8.838 3.961 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.763 9.226 6.247 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.661 7.864 6.183 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.814 7.814 4.511 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -0.644 9.133 3.328 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.203 9.403 5.031 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -2.220 9.257 8.142 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.831 9.287 7.030 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.949 10.670 7.095 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.168 11.196 2.167 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.012 11.504 0.755 1.00 0.47 C ATOM 1957 C PHE A 119 -3.681 12.829 0.413 1.00 0.49 C ATOM 1958 O PHE A 119 -4.384 13.413 1.241 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.617 10.388 -0.097 1.00 0.48 C ATOM 1960 CG PHE A 119 -2.876 9.082 -0.020 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.666 8.916 -0.672 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -3.398 8.019 0.699 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -0.990 7.712 -0.607 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -2.727 6.813 0.764 1.00 1.26 C ATOM 1965 CZ PHE A 119 -1.522 6.660 0.112 1.00 0.44 C ATOM 0 H PHE A 119 -4.122 10.963 2.444 1.00 0.45 H new ATOM 0 HA PHE A 119 -1.946 11.585 0.541 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.649 10.226 0.216 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.647 10.715 -1.136 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.246 9.735 -1.237 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -4.340 8.134 1.214 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -0.046 7.594 -1.118 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -3.146 5.991 1.325 1.00 1.26 H new ATOM 0 HZ PHE A 119 -0.995 5.719 0.163 1.00 0.44 H new ATOM 1975 N SER A 120 -3.457 13.289 -0.813 1.00 0.51 N ATOM 1976 CA SER A 120 -4.038 14.532 -1.298 1.00 0.55 C ATOM 1977 C SER A 120 -5.541 14.366 -1.481 1.00 0.50 C ATOM 1978 O SER A 120 -6.009 13.286 -1.848 1.00 0.48 O ATOM 1979 CB SER A 120 -3.381 14.933 -2.623 1.00 0.63 C ATOM 1980 OG SER A 120 -4.174 15.870 -3.336 1.00 1.30 O ATOM 0 H SER A 120 -2.869 12.811 -1.496 1.00 0.51 H new ATOM 0 HA SER A 120 -3.860 15.320 -0.566 1.00 0.55 H new ATOM 0 HB2 SER A 120 -2.398 15.361 -2.428 1.00 0.63 H new ATOM 0 HB3 SER A 120 -3.226 14.045 -3.236 1.00 0.63 H new ATOM 0 HG SER A 120 -3.726 16.106 -4.175 1.00 1.30 H new ATOM 1986 N LYS A 121 -6.290 15.438 -1.252 1.00 0.56 N ATOM 1987 CA LYS A 121 -7.744 15.398 -1.380 1.00 0.56 C ATOM 1988 C LYS A 121 -8.178 15.004 -2.792 1.00 0.53 C ATOM 1989 O LYS A 121 -9.249 14.426 -2.978 1.00 0.52 O ATOM 1990 CB LYS A 121 -8.360 16.749 -1.003 1.00 0.70 C ATOM 1991 CG LYS A 121 -7.873 17.914 -1.854 1.00 1.23 C ATOM 1992 CD LYS A 121 -8.664 19.182 -1.573 1.00 1.78 C ATOM 1993 CE LYS A 121 -8.043 20.388 -2.257 1.00 2.37 C ATOM 1994 NZ LYS A 121 -8.926 21.580 -2.190 1.00 2.85 N ATOM 0 H LYS A 121 -5.916 16.346 -0.977 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.106 14.636 -0.690 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -9.444 16.678 -1.089 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -8.136 16.959 0.043 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -6.816 18.093 -1.656 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -7.961 17.656 -2.909 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -9.690 19.056 -1.917 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -8.707 19.354 -0.498 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -7.086 20.618 -1.788 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -7.837 20.147 -3.300 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -8.465 22.381 -2.668 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -9.830 21.370 -2.660 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -9.102 21.826 -1.195 1.00 2.85 H new ATOM 2008 N GLN A 122 -7.340 15.300 -3.781 1.00 0.60 N ATOM 2009 CA GLN A 122 -7.656 14.972 -5.165 1.00 0.67 C ATOM 2010 C GLN A 122 -7.633 13.464 -5.383 1.00 0.60 C ATOM 2011 O GLN A 122 -8.530 12.903 -6.017 1.00 0.73 O ATOM 2012 CB GLN A 122 -6.673 15.651 -6.122 1.00 0.80 C ATOM 2013 CG GLN A 122 -6.911 15.296 -7.582 1.00 1.48 C ATOM 2014 CD GLN A 122 -5.970 16.009 -8.528 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -4.835 16.337 -8.168 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.432 16.253 -9.744 1.00 2.69 N ATOM 0 H GLN A 122 -6.441 15.764 -3.650 1.00 0.60 H new ATOM 0 HA GLN A 122 -8.660 15.341 -5.374 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -6.747 16.732 -6.001 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -5.656 15.369 -5.848 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -6.799 14.219 -7.711 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -7.939 15.543 -7.847 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.377 15.964 -9.998 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -5.843 16.730 -10.427 1.00 2.69 H new ATOM 2025 N VAL A 123 -6.617 12.805 -4.842 1.00 0.51 N ATOM 2026 CA VAL A 123 -6.492 11.368 -5.004 1.00 0.53 C ATOM 2027 C VAL A 123 -7.359 10.627 -3.987 1.00 0.48 C ATOM 2028 O VAL A 123 -7.822 9.523 -4.255 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.020 10.899 -4.918 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -4.491 10.956 -3.495 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -4.877 9.504 -5.499 1.00 1.28 C ATOM 0 H VAL A 123 -5.876 13.240 -4.293 1.00 0.51 H new ATOM 0 HA VAL A 123 -6.850 11.125 -6.005 1.00 0.53 H new ATOM 0 HB VAL A 123 -4.415 11.586 -5.510 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -3.455 10.619 -3.478 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -4.545 11.981 -3.128 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.093 10.309 -2.857 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -3.836 9.187 -5.432 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -5.504 8.811 -4.939 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -5.187 9.511 -6.544 1.00 1.28 H new ATOM 2041 N VAL A 124 -7.594 11.244 -2.827 1.00 0.48 N ATOM 2042 CA VAL A 124 -8.435 10.635 -1.801 1.00 0.49 C ATOM 2043 C VAL A 124 -9.843 10.428 -2.349 1.00 0.47 C ATOM 2044 O VAL A 124 -10.449 9.370 -2.162 1.00 0.50 O ATOM 2045 CB VAL A 124 -8.487 11.498 -0.516 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -9.703 11.163 0.335 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -7.218 11.318 0.295 1.00 1.11 C ATOM 0 H VAL A 124 -7.216 12.158 -2.578 1.00 0.48 H new ATOM 0 HA VAL A 124 -7.998 9.673 -1.534 1.00 0.49 H new ATOM 0 HB VAL A 124 -8.570 12.540 -0.823 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -9.706 11.788 1.228 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -10.611 11.347 -0.239 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -9.665 10.114 0.627 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -7.271 11.931 1.194 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -7.111 10.270 0.576 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -6.358 11.623 -0.302 1.00 1.11 H new ATOM 2057 N ASN A 125 -10.342 11.440 -3.052 1.00 0.47 N ATOM 2058 CA ASN A 125 -11.668 11.377 -3.652 1.00 0.50 C ATOM 2059 C ASN A 125 -11.704 10.293 -4.721 1.00 0.49 C ATOM 2060 O ASN A 125 -12.704 9.599 -4.885 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.052 12.727 -4.263 1.00 0.58 C ATOM 2062 CG ASN A 125 -12.741 13.651 -3.276 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -13.936 13.523 -3.019 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -11.994 14.597 -2.730 1.00 1.74 N ATOM 0 H ASN A 125 -9.846 12.315 -3.220 1.00 0.47 H new ATOM 0 HA ASN A 125 -12.389 11.135 -2.871 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -11.155 13.215 -4.644 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.710 12.560 -5.116 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -12.407 15.255 -2.069 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -11.005 14.669 -2.971 1.00 1.74 H new ATOM 2071 N ASP A 126 -10.588 10.137 -5.427 1.00 0.47 N ATOM 2072 CA ASP A 126 -10.475 9.136 -6.484 1.00 0.48 C ATOM 2073 C ASP A 126 -10.612 7.736 -5.900 1.00 0.45 C ATOM 2074 O ASP A 126 -11.291 6.876 -6.466 1.00 0.48 O ATOM 2075 CB ASP A 126 -9.129 9.269 -7.200 1.00 0.52 C ATOM 2076 CG ASP A 126 -9.175 8.789 -8.639 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -9.372 7.578 -8.867 1.00 1.43 O ATOM 2078 OD2 ASP A 126 -8.995 9.628 -9.550 1.00 1.44 O ATOM 0 H ASP A 126 -9.745 10.694 -5.285 1.00 0.47 H new ATOM 0 HA ASP A 126 -11.277 9.301 -7.204 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -8.814 10.312 -7.180 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -8.376 8.699 -6.656 1.00 0.52 H new ATOM 2083 N ILE A 127 -9.987 7.527 -4.745 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.024 6.237 -4.071 1.00 0.42 C ATOM 2085 C ILE A 127 -11.449 5.862 -3.666 1.00 0.43 C ATOM 2086 O ILE A 127 -11.939 4.791 -4.028 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.127 6.219 -2.817 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -7.697 6.634 -3.169 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.133 4.831 -2.187 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -6.807 6.826 -1.960 1.00 0.46 C ATOM 0 H ILE A 127 -9.446 8.240 -4.256 1.00 0.42 H new ATOM 0 HA ILE A 127 -9.646 5.506 -4.786 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.525 6.935 -2.098 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.257 5.876 -3.817 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -7.727 7.563 -3.739 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.496 4.830 -1.302 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.151 4.565 -1.902 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -8.756 4.103 -2.906 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -5.809 7.119 -2.286 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.224 7.605 -1.321 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -6.746 5.892 -1.401 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.120 6.753 -2.934 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.483 6.482 -2.482 1.00 0.51 C ATOM 2104 C GLU A 128 -14.438 6.345 -3.667 1.00 0.52 C ATOM 2105 O GLU A 128 -15.350 5.518 -3.641 1.00 0.55 O ATOM 2106 CB GLU A 128 -13.979 7.554 -1.504 1.00 0.62 C ATOM 2107 CG GLU A 128 -13.820 8.981 -1.993 1.00 1.04 C ATOM 2108 CD GLU A 128 -14.349 9.992 -0.996 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -13.757 10.127 0.095 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -15.370 10.647 -1.289 1.00 2.05 O ATOM 0 H GLU A 128 -11.747 7.657 -2.645 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.464 5.532 -1.948 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -15.033 7.373 -1.291 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.440 7.445 -0.563 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -12.766 9.181 -2.186 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -14.346 9.099 -2.941 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.220 7.142 -4.710 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.057 7.074 -5.904 1.00 0.64 C ATOM 2119 C ARG A 129 -14.938 5.696 -6.541 1.00 0.59 C ATOM 2120 O ARG A 129 -15.929 5.118 -6.984 1.00 0.62 O ATOM 2121 CB ARG A 129 -14.663 8.160 -6.910 1.00 0.77 C ATOM 2122 CG ARG A 129 -15.272 9.521 -6.606 1.00 1.07 C ATOM 2123 CD ARG A 129 -16.734 9.584 -7.015 1.00 1.55 C ATOM 2124 NE ARG A 129 -16.896 9.687 -8.466 1.00 2.26 N ATOM 2125 CZ ARG A 129 -18.049 9.478 -9.101 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -19.126 9.093 -8.424 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -18.127 9.646 -10.416 1.00 3.98 N ATOM 0 H ARG A 129 -13.476 7.838 -4.753 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.093 7.244 -5.611 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -13.577 8.252 -6.926 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -14.971 7.848 -7.908 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -15.183 9.730 -5.540 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -14.713 10.296 -7.131 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -17.249 8.693 -6.656 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -17.207 10.441 -6.536 1.00 1.55 H new ATOM 0 HE ARG A 129 -16.078 9.933 -9.024 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -19.072 8.956 -7.415 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -20.006 8.934 -8.914 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -17.303 9.936 -10.943 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -19.011 9.485 -10.899 1.00 3.98 H new ATOM 2141 N SER A 130 -13.722 5.163 -6.548 1.00 0.56 N ATOM 2142 CA SER A 130 -13.464 3.849 -7.115 1.00 0.57 C ATOM 2143 C SER A 130 -14.134 2.764 -6.276 1.00 0.54 C ATOM 2144 O SER A 130 -14.700 1.811 -6.812 1.00 0.60 O ATOM 2145 CB SER A 130 -11.958 3.598 -7.197 1.00 0.58 C ATOM 2146 OG SER A 130 -11.315 4.602 -7.967 1.00 0.70 O ATOM 0 H SER A 130 -12.897 5.625 -6.165 1.00 0.56 H new ATOM 0 HA SER A 130 -13.883 3.816 -8.121 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.534 3.578 -6.193 1.00 0.58 H new ATOM 0 HB3 SER A 130 -11.773 2.620 -7.641 1.00 0.58 H new ATOM 0 HG SER A 130 -11.318 5.447 -7.470 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.084 2.930 -4.956 1.00 0.49 N ATOM 2153 CA LEU A 131 -14.685 1.973 -4.034 1.00 0.50 C ATOM 2154 C LEU A 131 -16.208 2.012 -4.124 1.00 0.52 C ATOM 2155 O LEU A 131 -16.883 1.014 -3.877 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.242 2.268 -2.599 1.00 0.52 C ATOM 2157 CG LEU A 131 -12.740 2.106 -2.334 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.378 2.631 -0.953 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -12.329 0.647 -2.472 1.00 1.33 C ATOM 0 H LEU A 131 -13.631 3.722 -4.501 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.347 0.976 -4.315 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.531 3.289 -2.349 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -14.787 1.608 -1.924 1.00 0.52 H new ATOM 0 HG LEU A 131 -12.197 2.691 -3.076 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.308 2.507 -0.785 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.635 3.688 -0.887 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -12.931 2.075 -0.196 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -11.260 0.550 -2.281 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -12.882 0.043 -1.753 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -12.550 0.301 -3.482 1.00 1.33 H new ATOM 2171 N ALA A 132 -16.744 3.174 -4.466 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.184 3.342 -4.601 1.00 0.62 C ATOM 2173 C ALA A 132 -18.665 2.778 -5.934 1.00 0.64 C ATOM 2174 O ALA A 132 -19.728 2.163 -6.014 1.00 0.69 O ATOM 2175 CB ALA A 132 -18.559 4.813 -4.481 1.00 0.68 C ATOM 0 H ALA A 132 -16.202 4.017 -4.656 1.00 0.56 H new ATOM 0 HA ALA A 132 -18.673 2.792 -3.797 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -19.639 4.923 -4.584 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.247 5.190 -3.507 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.060 5.381 -5.266 1.00 0.68 H new ATOM 2181 N ALA A 133 -17.856 2.970 -6.969 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.189 2.497 -8.307 1.00 0.73 C ATOM 2183 C ALA A 133 -18.106 0.978 -8.407 1.00 0.73 C ATOM 2184 O ALA A 133 -18.680 0.381 -9.321 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.272 3.145 -9.336 1.00 0.84 C ATOM 0 H ALA A 133 -16.960 3.453 -6.906 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.220 2.784 -8.513 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -17.530 2.784 -10.332 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.392 4.228 -9.300 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.236 2.887 -9.114 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.395 0.361 -7.468 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.232 -1.089 -7.448 1.00 0.74 C ATOM 2193 C ALA A 134 -18.580 -1.791 -7.302 1.00 0.84 C ATOM 2194 O ALA A 134 -18.861 -2.763 -8.008 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.289 -1.495 -6.326 1.00 0.72 C ATOM 0 H ALA A 134 -16.920 0.846 -6.707 1.00 0.68 H new ATOM 0 HA ALA A 134 -16.798 -1.399 -8.399 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.175 -2.579 -6.321 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.316 -1.029 -6.482 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.699 -1.169 -5.370 1.00 0.72 H new