USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 840 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 91 ASN : amide:sc= 0.406 K(o=0.19,f=-5.2!) USER MOD Set 1.2: A 93 THR OG1 : rot -130:sc= -0.219 USER MOD Set 2.1: A 52 TYR OH : rot -174:sc= 0.489 USER MOD Set 2.2: A 72 ASN : amide:sc= 1.07 K(o=1.6,f=0.84) USER MOD Set 3.1: A 64 SER OG : rot 180:sc= 1.01 USER MOD Set 3.2: A 67 THR OG1 : rot 97:sc= 1.18 USER MOD Set 4.1: A 34 HIS : no HE2:sc= -0.9 K(o=1.4,f=0.72) USER MOD Set 4.2: A 62 THR OG1 : rot 101:sc= 1.26 USER MOD Set 4.3: A 63 HIS : no HD1:sc= 1.04 K(o=1.4,f=-2.9!) USER MOD Set 5.1: A 21 SER OG : rot 107:sc= 1.95 USER MOD Set 5.2: A 23 SER OG : rot 180:sc= 1.09 USER MOD Set 5.3: A 24 THR OG1 : rot 80:sc= 0.782 USER MOD Set 6.1: A 12 TYR OH : rot -56:sc= -3.26! USER MOD Set 6.2: A 25 LYS NZ :NH3+ 135:sc= 0.367 (180deg=-3.6!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -179:sc= 0.392 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.248 K(o=0.25,f=-0.58) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.38) USER MOD Single : A 27 HIS : no HD1:sc= -3.69! K(o=-3.7!,f=-0.73) USER MOD Single : A 28 TYR OH : rot -97:sc= 0.342 USER MOD Single : A 30 SER OG : rot 69:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -0.108 (180deg=-0.576) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-5.6!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.493) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= -1.16! (180deg=-1.59!) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= 1.13 (180deg=-0.292) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 53 GLN : amide:sc= 0.926 K(o=0.93,f=-6.4!) USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= 1.28 (180deg=0.803) USER MOD Single : A 57 ASN : amide:sc= -0.0967 K(o=-0.097,f=-0.99) USER MOD Single : A 59 TYR OH : rot 130:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= 1.28 (180deg=1.19) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= -0.0895 USER MOD Single : A 77 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.93!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot -127:sc= 0.538 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.1!) USER MOD Single : A 101 SER OG : rot -33:sc= 0.758 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 3.938 7.152 12.429 1.00 34.32 N ATOM 21 CA ILE A 2 4.318 5.773 12.159 1.00 1.24 C ATOM 22 C ILE A 2 4.861 5.644 10.735 1.00 41.44 C ATOM 23 O ILE A 2 4.570 6.481 9.873 1.00 50.23 O ATOM 24 CB ILE A 2 3.111 4.817 12.358 1.00 13.11 C ATOM 25 CG1 ILE A 2 3.542 3.349 12.271 1.00 1.21 C ATOM 26 CG2 ILE A 2 2.032 5.109 11.327 1.00 61.12 C ATOM 27 CD1 ILE A 2 2.417 2.366 12.527 1.00 43.20 C ATOM 0 HA ILE A 2 5.099 5.490 12.865 1.00 1.24 H new ATOM 0 HB ILE A 2 2.707 4.991 13.356 1.00 13.11 H new ATOM 0 HG12 ILE A 2 3.959 3.160 11.282 1.00 1.21 H new ATOM 0 HG13 ILE A 2 4.339 3.171 12.992 1.00 1.21 H new ATOM 0 HG21 ILE A 2 1.192 4.432 11.478 1.00 61.12 H new ATOM 0 HG22 ILE A 2 1.692 6.139 11.437 1.00 61.12 H new ATOM 0 HG23 ILE A 2 2.438 4.966 10.325 1.00 61.12 H new ATOM 0 HD11 ILE A 2 2.798 1.348 12.448 1.00 43.20 H new ATOM 0 HD12 ILE A 2 2.014 2.526 13.527 1.00 43.20 H new ATOM 0 HD13 ILE A 2 1.628 2.516 11.790 1.00 43.20 H new ATOM 39 N THR A 3 5.669 4.623 10.495 1.00 63.14 N ATOM 40 CA THR A 3 6.189 4.368 9.166 1.00 15.31 C ATOM 41 C THR A 3 5.101 3.765 8.285 1.00 0.23 C ATOM 42 O THR A 3 4.245 3.026 8.770 1.00 73.22 O ATOM 43 CB THR A 3 7.405 3.424 9.205 1.00 74.32 C ATOM 44 OG1 THR A 3 7.055 2.193 9.849 1.00 21.34 O ATOM 45 CG2 THR A 3 8.562 4.075 9.946 1.00 21.13 C ATOM 0 H THR A 3 5.977 3.959 11.205 1.00 63.14 H new ATOM 0 HA THR A 3 6.513 5.322 8.749 1.00 15.31 H new ATOM 0 HB THR A 3 7.712 3.219 8.179 1.00 74.32 H new ATOM 0 HG1 THR A 3 7.835 1.600 9.867 1.00 21.34 H new ATOM 0 HG21 THR A 3 9.412 3.393 9.964 1.00 21.13 H new ATOM 0 HG22 THR A 3 8.846 4.997 9.439 1.00 21.13 H new ATOM 0 HG23 THR A 3 8.258 4.302 10.968 1.00 21.13 H new ATOM 53 N PHE A 4 5.137 4.084 6.998 1.00 3.23 N ATOM 54 CA PHE A 4 4.109 3.624 6.071 1.00 42.51 C ATOM 55 C PHE A 4 4.094 2.099 5.973 1.00 62.21 C ATOM 56 O PHE A 4 3.030 1.493 5.856 1.00 23.43 O ATOM 57 CB PHE A 4 4.313 4.247 4.686 1.00 21.44 C ATOM 58 CG PHE A 4 3.319 3.768 3.662 1.00 25.02 C ATOM 59 CD1 PHE A 4 1.959 3.772 3.940 1.00 43.10 C ATOM 60 CD2 PHE A 4 3.743 3.309 2.426 1.00 73.01 C ATOM 61 CE1 PHE A 4 1.046 3.326 3.005 1.00 42.12 C ATOM 62 CE2 PHE A 4 2.833 2.864 1.488 1.00 31.12 C ATOM 63 CZ PHE A 4 1.484 2.871 1.779 1.00 0.45 C ATOM 0 H PHE A 4 5.865 4.658 6.572 1.00 3.23 H new ATOM 0 HA PHE A 4 3.143 3.946 6.459 1.00 42.51 H new ATOM 0 HB2 PHE A 4 4.243 5.332 4.770 1.00 21.44 H new ATOM 0 HB3 PHE A 4 5.320 4.019 4.338 1.00 21.44 H new ATOM 0 HD1 PHE A 4 1.611 4.128 4.898 1.00 43.10 H new ATOM 0 HD2 PHE A 4 4.798 3.299 2.193 1.00 73.01 H new ATOM 0 HE1 PHE A 4 -0.010 3.333 3.233 1.00 42.12 H new ATOM 0 HE2 PHE A 4 3.177 2.511 0.527 1.00 31.12 H new ATOM 0 HZ PHE A 4 0.772 2.520 1.047 1.00 0.45 H new ATOM 73 N ALA A 5 5.270 1.486 6.038 1.00 45.12 N ATOM 74 CA ALA A 5 5.379 0.034 5.961 1.00 73.13 C ATOM 75 C ALA A 5 4.594 -0.636 7.088 1.00 62.30 C ATOM 76 O ALA A 5 3.675 -1.423 6.840 1.00 60.35 O ATOM 77 CB ALA A 5 6.841 -0.384 6.007 1.00 31.34 C ATOM 0 H ALA A 5 6.161 1.971 6.144 1.00 45.12 H new ATOM 0 HA ALA A 5 4.949 -0.292 5.014 1.00 73.13 H new ATOM 0 HB1 ALA A 5 6.911 -1.470 5.949 1.00 31.34 H new ATOM 0 HB2 ALA A 5 7.373 0.059 5.165 1.00 31.34 H new ATOM 0 HB3 ALA A 5 7.288 -0.041 6.940 1.00 31.34 H new ATOM 83 N ASP A 6 4.944 -0.297 8.322 1.00 41.43 N ATOM 84 CA ASP A 6 4.311 -0.900 9.490 1.00 40.41 C ATOM 85 C ASP A 6 2.841 -0.495 9.571 1.00 51.22 C ATOM 86 O ASP A 6 1.989 -1.289 9.973 1.00 42.33 O ATOM 87 CB ASP A 6 5.054 -0.489 10.765 1.00 54.10 C ATOM 88 CG ASP A 6 4.523 -1.187 12.000 1.00 21.21 C ATOM 89 OD1 ASP A 6 4.602 -2.434 12.064 1.00 42.33 O ATOM 90 OD2 ASP A 6 4.041 -0.494 12.921 1.00 5.41 O ATOM 0 H ASP A 6 5.663 0.393 8.541 1.00 41.43 H new ATOM 0 HA ASP A 6 4.361 -1.985 9.393 1.00 40.41 H new ATOM 0 HB2 ASP A 6 6.114 -0.715 10.652 1.00 54.10 H new ATOM 0 HB3 ASP A 6 4.971 0.590 10.898 1.00 54.10 H new ATOM 95 N TYR A 7 2.554 0.737 9.160 1.00 34.10 N ATOM 96 CA TYR A 7 1.188 1.251 9.136 1.00 25.40 C ATOM 97 C TYR A 7 0.305 0.412 8.222 1.00 51.23 C ATOM 98 O TYR A 7 -0.800 0.026 8.601 1.00 41.31 O ATOM 99 CB TYR A 7 1.184 2.710 8.666 1.00 54.11 C ATOM 100 CG TYR A 7 -0.196 3.325 8.560 1.00 50.24 C ATOM 101 CD1 TYR A 7 -0.869 3.762 9.692 1.00 43.34 C ATOM 102 CD2 TYR A 7 -0.823 3.469 7.327 1.00 65.40 C ATOM 103 CE1 TYR A 7 -2.129 4.325 9.601 1.00 52.23 C ATOM 104 CE2 TYR A 7 -2.081 4.033 7.227 1.00 53.15 C ATOM 105 CZ TYR A 7 -2.729 4.458 8.367 1.00 72.33 C ATOM 106 OH TYR A 7 -3.982 5.020 8.273 1.00 51.33 O ATOM 0 H TYR A 7 3.256 1.403 8.837 1.00 34.10 H new ATOM 0 HA TYR A 7 0.786 1.196 10.148 1.00 25.40 H new ATOM 0 HB2 TYR A 7 1.782 3.304 9.357 1.00 54.11 H new ATOM 0 HB3 TYR A 7 1.671 2.768 7.692 1.00 54.11 H new ATOM 0 HD1 TYR A 7 -0.401 3.661 10.660 1.00 43.34 H new ATOM 0 HD2 TYR A 7 -0.319 3.135 6.433 1.00 65.40 H new ATOM 0 HE1 TYR A 7 -2.640 4.659 10.492 1.00 52.23 H new ATOM 0 HE2 TYR A 7 -2.553 4.140 6.262 1.00 53.15 H new ATOM 0 HH TYR A 7 -4.268 5.027 7.336 1.00 51.33 H new ATOM 116 N PHE A 8 0.804 0.136 7.024 1.00 62.01 N ATOM 117 CA PHE A 8 0.044 -0.604 6.025 1.00 0.33 C ATOM 118 C PHE A 8 -0.327 -1.993 6.538 1.00 35.22 C ATOM 119 O PHE A 8 -1.487 -2.402 6.465 1.00 44.05 O ATOM 120 CB PHE A 8 0.847 -0.718 4.726 1.00 15.12 C ATOM 121 CG PHE A 8 0.111 -1.411 3.611 1.00 50.25 C ATOM 122 CD1 PHE A 8 -0.832 -0.732 2.854 1.00 14.42 C ATOM 123 CD2 PHE A 8 0.362 -2.744 3.321 1.00 34.41 C ATOM 124 CE1 PHE A 8 -1.510 -1.368 1.830 1.00 74.53 C ATOM 125 CE2 PHE A 8 -0.312 -3.385 2.298 1.00 32.54 C ATOM 126 CZ PHE A 8 -1.248 -2.696 1.552 1.00 11.42 C ATOM 0 H PHE A 8 1.737 0.415 6.720 1.00 62.01 H new ATOM 0 HA PHE A 8 -0.878 -0.057 5.826 1.00 0.33 H new ATOM 0 HB2 PHE A 8 1.128 0.282 4.396 1.00 15.12 H new ATOM 0 HB3 PHE A 8 1.772 -1.259 4.929 1.00 15.12 H new ATOM 0 HD1 PHE A 8 -1.039 0.306 3.067 1.00 14.42 H new ATOM 0 HD2 PHE A 8 1.093 -3.288 3.901 1.00 34.41 H new ATOM 0 HE1 PHE A 8 -2.243 -0.828 1.249 1.00 74.53 H new ATOM 0 HE2 PHE A 8 -0.107 -4.423 2.083 1.00 32.54 H new ATOM 0 HZ PHE A 8 -1.775 -3.195 0.752 1.00 11.42 H new ATOM 136 N TYR A 9 0.658 -2.713 7.069 1.00 22.03 N ATOM 137 CA TYR A 9 0.418 -4.066 7.557 1.00 32.53 C ATOM 138 C TYR A 9 -0.524 -4.042 8.755 1.00 51.15 C ATOM 139 O TYR A 9 -1.420 -4.880 8.866 1.00 5.15 O ATOM 140 CB TYR A 9 1.730 -4.759 7.934 1.00 33.53 C ATOM 141 CG TYR A 9 1.555 -6.225 8.261 1.00 51.40 C ATOM 142 CD1 TYR A 9 1.559 -7.182 7.255 1.00 74.24 C ATOM 143 CD2 TYR A 9 1.366 -6.649 9.571 1.00 21.34 C ATOM 144 CE1 TYR A 9 1.383 -8.521 7.544 1.00 10.10 C ATOM 145 CE2 TYR A 9 1.184 -7.986 9.867 1.00 32.53 C ATOM 146 CZ TYR A 9 1.196 -8.919 8.850 1.00 60.21 C ATOM 147 OH TYR A 9 1.006 -10.250 9.141 1.00 61.04 O ATOM 0 H TYR A 9 1.619 -2.386 7.171 1.00 22.03 H new ATOM 0 HA TYR A 9 -0.048 -4.633 6.751 1.00 32.53 H new ATOM 0 HB2 TYR A 9 2.437 -4.659 7.110 1.00 33.53 H new ATOM 0 HB3 TYR A 9 2.168 -4.251 8.793 1.00 33.53 H new ATOM 0 HD1 TYR A 9 1.702 -6.874 6.230 1.00 74.24 H new ATOM 0 HD2 TYR A 9 1.361 -5.922 10.370 1.00 21.34 H new ATOM 0 HE1 TYR A 9 1.392 -9.253 6.750 1.00 10.10 H new ATOM 0 HE2 TYR A 9 1.033 -8.300 10.889 1.00 32.53 H new ATOM 0 HH TYR A 9 0.891 -10.360 10.108 1.00 61.04 H new ATOM 157 N GLN A 10 -0.321 -3.078 9.640 1.00 31.53 N ATOM 158 CA GLN A 10 -1.159 -2.933 10.823 1.00 60.13 C ATOM 159 C GLN A 10 -2.603 -2.651 10.415 1.00 21.10 C ATOM 160 O GLN A 10 -3.538 -3.276 10.922 1.00 61.31 O ATOM 161 CB GLN A 10 -0.626 -1.807 11.709 1.00 55.33 C ATOM 162 CG GLN A 10 -1.373 -1.636 13.020 1.00 60.43 C ATOM 163 CD GLN A 10 -0.751 -0.570 13.895 1.00 20.43 C ATOM 164 OE1 GLN A 10 0.132 -0.853 14.702 1.00 45.00 O ATOM 165 NE2 GLN A 10 -1.194 0.666 13.734 1.00 22.12 N ATOM 0 H GLN A 10 0.420 -2.381 9.562 1.00 31.53 H new ATOM 0 HA GLN A 10 -1.134 -3.864 11.389 1.00 60.13 H new ATOM 0 HB2 GLN A 10 0.425 -1.998 11.926 1.00 55.33 H new ATOM 0 HB3 GLN A 10 -0.672 -0.870 11.153 1.00 55.33 H new ATOM 0 HG2 GLN A 10 -2.411 -1.375 12.814 1.00 60.43 H new ATOM 0 HG3 GLN A 10 -1.384 -2.584 13.557 1.00 60.43 H new ATOM 0 HE21 GLN A 10 -1.929 0.860 13.053 1.00 22.12 H new ATOM 0 HE22 GLN A 10 -0.801 1.425 14.290 1.00 22.12 H new ATOM 174 N TRP A 11 -2.771 -1.712 9.488 1.00 24.00 N ATOM 175 CA TRP A 11 -4.081 -1.380 8.945 1.00 33.34 C ATOM 176 C TRP A 11 -4.747 -2.625 8.369 1.00 5.23 C ATOM 177 O TRP A 11 -5.894 -2.933 8.690 1.00 70.43 O ATOM 178 CB TRP A 11 -3.937 -0.301 7.862 1.00 74.53 C ATOM 179 CG TRP A 11 -5.197 -0.027 7.095 1.00 74.14 C ATOM 180 CD1 TRP A 11 -6.257 0.733 7.495 1.00 74.24 C ATOM 181 CD2 TRP A 11 -5.516 -0.504 5.782 1.00 50.01 C ATOM 182 NE1 TRP A 11 -7.223 0.744 6.515 1.00 20.31 N ATOM 183 CE2 TRP A 11 -6.790 -0.007 5.455 1.00 23.04 C ATOM 184 CE3 TRP A 11 -4.847 -1.310 4.853 1.00 55.12 C ATOM 185 CZ2 TRP A 11 -7.407 -0.285 4.238 1.00 21.25 C ATOM 186 CZ3 TRP A 11 -5.461 -1.584 3.648 1.00 40.04 C ATOM 187 CH2 TRP A 11 -6.729 -1.075 3.349 1.00 13.40 C ATOM 0 H TRP A 11 -2.006 -1.163 9.095 1.00 24.00 H new ATOM 0 HA TRP A 11 -4.710 -0.994 9.747 1.00 33.34 H new ATOM 0 HB2 TRP A 11 -3.601 0.625 8.330 1.00 74.53 H new ATOM 0 HB3 TRP A 11 -3.158 -0.606 7.163 1.00 74.53 H new ATOM 0 HD1 TRP A 11 -6.328 1.250 8.441 1.00 74.24 H new ATOM 0 HE1 TRP A 11 -8.117 1.232 6.569 1.00 20.31 H new ATOM 0 HE3 TRP A 11 -3.869 -1.710 5.075 1.00 55.12 H new ATOM 0 HZ2 TRP A 11 -8.385 0.108 4.004 1.00 21.25 H new ATOM 0 HZ3 TRP A 11 -4.953 -2.203 2.923 1.00 40.04 H new ATOM 0 HH2 TRP A 11 -7.182 -1.310 2.397 1.00 13.40 H new ATOM 198 N TYR A 12 -4.010 -3.349 7.538 1.00 64.02 N ATOM 199 CA TYR A 12 -4.527 -4.547 6.894 1.00 34.44 C ATOM 200 C TYR A 12 -4.916 -5.620 7.913 1.00 22.10 C ATOM 201 O TYR A 12 -6.015 -6.178 7.843 1.00 11.34 O ATOM 202 CB TYR A 12 -3.496 -5.100 5.903 1.00 3.00 C ATOM 203 CG TYR A 12 -3.729 -6.545 5.523 1.00 40.43 C ATOM 204 CD1 TYR A 12 -4.855 -6.931 4.806 1.00 53.31 C ATOM 205 CD2 TYR A 12 -2.822 -7.527 5.897 1.00 12.24 C ATOM 206 CE1 TYR A 12 -5.067 -8.252 4.476 1.00 41.24 C ATOM 207 CE2 TYR A 12 -3.026 -8.848 5.566 1.00 21.21 C ATOM 208 CZ TYR A 12 -4.151 -9.204 4.857 1.00 52.10 C ATOM 209 OH TYR A 12 -4.360 -10.519 4.529 1.00 75.52 O ATOM 0 H TYR A 12 -3.046 -3.125 7.293 1.00 64.02 H new ATOM 0 HA TYR A 12 -5.431 -4.268 6.353 1.00 34.44 H new ATOM 0 HB2 TYR A 12 -3.510 -4.490 5.000 1.00 3.00 H new ATOM 0 HB3 TYR A 12 -2.501 -5.004 6.337 1.00 3.00 H new ATOM 0 HD1 TYR A 12 -5.575 -6.185 4.503 1.00 53.31 H new ATOM 0 HD2 TYR A 12 -1.941 -7.250 6.457 1.00 12.24 H new ATOM 0 HE1 TYR A 12 -5.948 -8.538 3.921 1.00 41.24 H new ATOM 0 HE2 TYR A 12 -2.308 -9.599 5.861 1.00 21.21 H new ATOM 0 HH TYR A 12 -5.231 -10.807 4.873 1.00 75.52 H new ATOM 219 N GLU A 13 -4.028 -5.896 8.860 1.00 55.40 N ATOM 220 CA GLU A 13 -4.232 -6.983 9.814 1.00 64.12 C ATOM 221 C GLU A 13 -5.506 -6.782 10.642 1.00 64.42 C ATOM 222 O GLU A 13 -6.191 -7.744 10.989 1.00 72.35 O ATOM 223 CB GLU A 13 -3.020 -7.112 10.739 1.00 64.42 C ATOM 224 CG GLU A 13 -3.135 -8.259 11.730 1.00 33.24 C ATOM 225 CD GLU A 13 -1.919 -8.397 12.621 1.00 1.11 C ATOM 226 OE1 GLU A 13 -1.769 -7.588 13.558 1.00 51.41 O ATOM 227 OE2 GLU A 13 -1.113 -9.324 12.396 1.00 21.43 O ATOM 0 H GLU A 13 -3.157 -5.382 8.989 1.00 55.40 H new ATOM 0 HA GLU A 13 -4.349 -7.903 9.242 1.00 64.12 H new ATOM 0 HB2 GLU A 13 -2.124 -7.253 10.134 1.00 64.42 H new ATOM 0 HB3 GLU A 13 -2.890 -6.179 11.288 1.00 64.42 H new ATOM 0 HG2 GLU A 13 -4.018 -8.108 12.351 1.00 33.24 H new ATOM 0 HG3 GLU A 13 -3.285 -9.190 11.183 1.00 33.24 H new ATOM 234 N VAL A 14 -5.827 -5.536 10.950 1.00 1.42 N ATOM 235 CA VAL A 14 -7.000 -5.240 11.766 1.00 64.04 C ATOM 236 C VAL A 14 -8.260 -5.088 10.906 1.00 44.20 C ATOM 237 O VAL A 14 -9.376 -5.328 11.372 1.00 15.02 O ATOM 238 CB VAL A 14 -6.788 -3.951 12.594 1.00 73.15 C ATOM 239 CG1 VAL A 14 -7.968 -3.693 13.522 1.00 24.13 C ATOM 240 CG2 VAL A 14 -5.494 -4.038 13.390 1.00 11.54 C ATOM 0 H VAL A 14 -5.298 -4.717 10.651 1.00 1.42 H new ATOM 0 HA VAL A 14 -7.138 -6.084 12.442 1.00 64.04 H new ATOM 0 HB VAL A 14 -6.717 -3.113 11.900 1.00 73.15 H new ATOM 0 HG11 VAL A 14 -7.791 -2.780 14.091 1.00 24.13 H new ATOM 0 HG12 VAL A 14 -8.878 -3.581 12.932 1.00 24.13 H new ATOM 0 HG13 VAL A 14 -8.082 -4.532 14.208 1.00 24.13 H new ATOM 0 HG21 VAL A 14 -5.360 -3.123 13.967 1.00 11.54 H new ATOM 0 HG22 VAL A 14 -5.540 -4.891 14.067 1.00 11.54 H new ATOM 0 HG23 VAL A 14 -4.654 -4.162 12.707 1.00 11.54 H new ATOM 250 N ASN A 15 -8.077 -4.730 9.642 1.00 65.14 N ATOM 251 CA ASN A 15 -9.201 -4.287 8.817 1.00 21.25 C ATOM 252 C ASN A 15 -9.638 -5.322 7.787 1.00 15.34 C ATOM 253 O ASN A 15 -10.828 -5.461 7.519 1.00 61.33 O ATOM 254 CB ASN A 15 -8.846 -2.980 8.105 1.00 33.44 C ATOM 255 CG ASN A 15 -9.742 -1.830 8.521 1.00 64.34 C ATOM 256 OD1 ASN A 15 -10.921 -2.019 8.805 1.00 4.43 O ATOM 257 ND2 ASN A 15 -9.184 -0.631 8.563 1.00 44.01 N ATOM 0 H ASN A 15 -7.174 -4.736 9.167 1.00 65.14 H new ATOM 0 HA ASN A 15 -10.040 -4.137 9.496 1.00 21.25 H new ATOM 0 HB2 ASN A 15 -7.808 -2.724 8.319 1.00 33.44 H new ATOM 0 HB3 ASN A 15 -8.923 -3.125 7.027 1.00 33.44 H new ATOM 0 HD21 ASN A 15 -9.738 0.180 8.839 1.00 44.01 H new ATOM 0 HD22 ASN A 15 -8.200 -0.518 8.319 1.00 44.01 H new ATOM 264 N LYS A 16 -8.691 -6.036 7.193 1.00 53.22 N ATOM 265 CA LYS A 16 -9.017 -6.908 6.064 1.00 34.34 C ATOM 266 C LYS A 16 -8.606 -8.357 6.308 1.00 72.00 C ATOM 267 O LYS A 16 -9.092 -9.258 5.627 1.00 14.33 O ATOM 268 CB LYS A 16 -8.327 -6.401 4.793 1.00 14.11 C ATOM 269 CG LYS A 16 -8.574 -4.930 4.498 1.00 5.23 C ATOM 270 CD LYS A 16 -10.053 -4.631 4.311 1.00 40.12 C ATOM 271 CE LYS A 16 -10.299 -3.145 4.117 1.00 2.24 C ATOM 272 NZ LYS A 16 -11.743 -2.842 3.943 1.00 73.10 N ATOM 0 H LYS A 16 -7.708 -6.033 7.465 1.00 53.22 H new ATOM 0 HA LYS A 16 -10.100 -6.882 5.947 1.00 34.34 H new ATOM 0 HB2 LYS A 16 -7.254 -6.567 4.884 1.00 14.11 H new ATOM 0 HB3 LYS A 16 -8.670 -6.993 3.945 1.00 14.11 H new ATOM 0 HG2 LYS A 16 -8.182 -4.325 5.315 1.00 5.23 H new ATOM 0 HG3 LYS A 16 -8.029 -4.643 3.599 1.00 5.23 H new ATOM 0 HD2 LYS A 16 -10.430 -5.179 3.448 1.00 40.12 H new ATOM 0 HD3 LYS A 16 -10.609 -4.983 5.180 1.00 40.12 H new ATOM 0 HE2 LYS A 16 -9.914 -2.598 4.977 1.00 2.24 H new ATOM 0 HE3 LYS A 16 -9.747 -2.796 3.244 1.00 2.24 H new ATOM 0 HZ1 LYS A 16 -11.870 -1.818 3.813 1.00 73.10 H new ATOM 0 HZ2 LYS A 16 -12.105 -3.344 3.107 1.00 73.10 H new ATOM 0 HZ3 LYS A 16 -12.267 -3.152 4.786 1.00 73.10 H new ATOM 286 N LEU A 17 -7.731 -8.572 7.282 1.00 23.12 N ATOM 287 CA LEU A 17 -7.105 -9.883 7.499 1.00 42.44 C ATOM 288 C LEU A 17 -8.116 -11.043 7.535 1.00 2.13 C ATOM 289 O LEU A 17 -8.020 -11.958 6.720 1.00 42.30 O ATOM 290 CB LEU A 17 -6.276 -9.876 8.783 1.00 12.20 C ATOM 291 CG LEU A 17 -5.392 -11.104 8.980 1.00 21.12 C ATOM 292 CD1 LEU A 17 -4.267 -11.112 7.963 1.00 1.52 C ATOM 293 CD2 LEU A 17 -4.834 -11.141 10.386 1.00 63.02 C ATOM 0 H LEU A 17 -7.433 -7.854 7.942 1.00 23.12 H new ATOM 0 HA LEU A 17 -6.456 -10.055 6.640 1.00 42.44 H new ATOM 0 HB2 LEU A 17 -5.645 -8.987 8.787 1.00 12.20 H new ATOM 0 HB3 LEU A 17 -6.951 -9.791 9.634 1.00 12.20 H new ATOM 0 HG LEU A 17 -6.002 -11.995 8.831 1.00 21.12 H new ATOM 0 HD11 LEU A 17 -3.645 -11.994 8.116 1.00 1.52 H new ATOM 0 HD12 LEU A 17 -4.686 -11.134 6.957 1.00 1.52 H new ATOM 0 HD13 LEU A 17 -3.661 -10.214 8.084 1.00 1.52 H new ATOM 0 HD21 LEU A 17 -4.207 -12.024 10.505 1.00 63.02 H new ATOM 0 HD22 LEU A 17 -4.238 -10.246 10.565 1.00 63.02 H new ATOM 0 HD23 LEU A 17 -5.655 -11.179 11.102 1.00 63.02 H new ATOM 305 N PRO A 18 -9.104 -11.031 8.456 1.00 71.13 N ATOM 306 CA PRO A 18 -10.042 -12.141 8.605 1.00 35.31 C ATOM 307 C PRO A 18 -11.199 -12.067 7.613 1.00 45.21 C ATOM 308 O PRO A 18 -12.146 -12.851 7.684 1.00 74.05 O ATOM 309 CB PRO A 18 -10.563 -11.990 10.046 1.00 72.14 C ATOM 310 CG PRO A 18 -10.015 -10.697 10.572 1.00 34.43 C ATOM 311 CD PRO A 18 -9.409 -9.959 9.410 1.00 42.22 C ATOM 0 HA PRO A 18 -9.561 -13.100 8.411 1.00 35.31 H new ATOM 0 HB2 PRO A 18 -11.653 -11.984 10.064 1.00 72.14 H new ATOM 0 HB3 PRO A 18 -10.239 -12.827 10.664 1.00 72.14 H new ATOM 0 HG2 PRO A 18 -10.805 -10.104 11.033 1.00 34.43 H new ATOM 0 HG3 PRO A 18 -9.266 -10.883 11.342 1.00 34.43 H new ATOM 0 HD2 PRO A 18 -10.102 -9.231 8.989 1.00 42.22 H new ATOM 0 HD3 PRO A 18 -8.512 -9.413 9.703 1.00 42.22 H new ATOM 319 N HIS A 19 -11.118 -11.132 6.681 1.00 13.31 N ATOM 320 CA HIS A 19 -12.209 -10.906 5.745 1.00 72.22 C ATOM 321 C HIS A 19 -11.825 -11.355 4.344 1.00 40.34 C ATOM 322 O HIS A 19 -12.669 -11.803 3.568 1.00 11.01 O ATOM 323 CB HIS A 19 -12.595 -9.426 5.726 1.00 1.42 C ATOM 324 CG HIS A 19 -12.930 -8.880 7.078 1.00 61.12 C ATOM 325 ND1 HIS A 19 -14.176 -9.042 7.633 1.00 43.33 N ATOM 326 CD2 HIS A 19 -12.145 -8.197 7.943 1.00 30.12 C ATOM 327 CE1 HIS A 19 -14.117 -8.459 8.820 1.00 54.32 C ATOM 328 NE2 HIS A 19 -12.908 -7.933 9.051 1.00 70.22 N ATOM 0 H HIS A 19 -10.313 -10.519 6.552 1.00 13.31 H new ATOM 0 HA HIS A 19 -13.064 -11.495 6.076 1.00 72.22 H new ATOM 0 HB2 HIS A 19 -11.772 -8.849 5.304 1.00 1.42 H new ATOM 0 HB3 HIS A 19 -13.451 -9.290 5.066 1.00 1.42 H new ATOM 0 HD2 HIS A 19 -11.114 -7.914 7.790 1.00 30.12 H new ATOM 0 HE1 HIS A 19 -14.942 -8.413 9.516 1.00 54.32 H new ATOM 0 HE2 HIS A 19 -12.612 -7.433 9.889 1.00 70.22 H new ATOM 336 N VAL A 20 -10.548 -11.236 4.025 1.00 52.10 N ATOM 337 CA VAL A 20 -10.068 -11.564 2.695 1.00 34.24 C ATOM 338 C VAL A 20 -9.589 -13.013 2.617 1.00 1.34 C ATOM 339 O VAL A 20 -9.276 -13.634 3.634 1.00 51.41 O ATOM 340 CB VAL A 20 -8.929 -10.618 2.262 1.00 32.12 C ATOM 341 CG1 VAL A 20 -9.413 -9.175 2.244 1.00 0.25 C ATOM 342 CG2 VAL A 20 -7.712 -10.769 3.167 1.00 10.53 C ATOM 0 H VAL A 20 -9.825 -10.915 4.669 1.00 52.10 H new ATOM 0 HA VAL A 20 -10.909 -11.437 2.013 1.00 34.24 H new ATOM 0 HB VAL A 20 -8.627 -10.894 1.252 1.00 32.12 H new ATOM 0 HG11 VAL A 20 -8.597 -8.521 1.936 1.00 0.25 H new ATOM 0 HG12 VAL A 20 -10.241 -9.078 1.541 1.00 0.25 H new ATOM 0 HG13 VAL A 20 -9.749 -8.891 3.241 1.00 0.25 H new ATOM 0 HG21 VAL A 20 -6.926 -10.090 2.837 1.00 10.53 H new ATOM 0 HG22 VAL A 20 -7.990 -10.530 4.194 1.00 10.53 H new ATOM 0 HG23 VAL A 20 -7.348 -11.795 3.119 1.00 10.53 H new ATOM 352 N SER A 21 -9.547 -13.542 1.405 1.00 31.03 N ATOM 353 CA SER A 21 -9.059 -14.891 1.166 1.00 2.40 C ATOM 354 C SER A 21 -7.533 -14.912 1.191 1.00 61.52 C ATOM 355 O SER A 21 -6.898 -13.858 1.138 1.00 51.52 O ATOM 356 CB SER A 21 -9.572 -15.370 -0.190 1.00 23.24 C ATOM 357 OG SER A 21 -9.235 -14.436 -1.206 1.00 14.10 O ATOM 0 H SER A 21 -9.848 -13.052 0.563 1.00 31.03 H new ATOM 0 HA SER A 21 -9.423 -15.556 1.950 1.00 2.40 H new ATOM 0 HB2 SER A 21 -9.142 -16.344 -0.425 1.00 23.24 H new ATOM 0 HB3 SER A 21 -10.654 -15.500 -0.151 1.00 23.24 H new ATOM 0 HG SER A 21 -8.511 -14.800 -1.757 1.00 14.10 H new ATOM 363 N GLU A 22 -6.948 -16.104 1.264 1.00 31.21 N ATOM 364 CA GLU A 22 -5.493 -16.245 1.252 1.00 43.34 C ATOM 365 C GLU A 22 -4.903 -15.687 -0.039 1.00 61.45 C ATOM 366 O GLU A 22 -3.812 -15.117 -0.038 1.00 15.35 O ATOM 367 CB GLU A 22 -5.092 -17.708 1.435 1.00 2.43 C ATOM 368 CG GLU A 22 -5.444 -18.256 2.805 1.00 74.22 C ATOM 369 CD GLU A 22 -5.074 -19.713 2.959 1.00 4.21 C ATOM 370 OE1 GLU A 22 -3.931 -20.005 3.368 1.00 14.51 O ATOM 371 OE2 GLU A 22 -5.933 -20.578 2.693 1.00 73.55 O ATOM 0 H GLU A 22 -7.457 -16.985 1.332 1.00 31.21 H new ATOM 0 HA GLU A 22 -5.091 -15.670 2.086 1.00 43.34 H new ATOM 0 HB2 GLU A 22 -5.584 -18.311 0.672 1.00 2.43 H new ATOM 0 HB3 GLU A 22 -4.018 -17.807 1.276 1.00 2.43 H new ATOM 0 HG2 GLU A 22 -4.931 -17.672 3.569 1.00 74.22 H new ATOM 0 HG3 GLU A 22 -6.514 -18.136 2.977 1.00 74.22 H new ATOM 378 N SER A 23 -5.639 -15.835 -1.131 1.00 72.43 N ATOM 379 CA SER A 23 -5.241 -15.261 -2.407 1.00 41.13 C ATOM 380 C SER A 23 -5.154 -13.737 -2.308 1.00 64.14 C ATOM 381 O SER A 23 -4.235 -13.118 -2.848 1.00 62.20 O ATOM 382 CB SER A 23 -6.241 -15.678 -3.486 1.00 63.43 C ATOM 383 OG SER A 23 -7.576 -15.481 -3.040 1.00 74.05 O ATOM 0 H SER A 23 -6.519 -16.350 -1.158 1.00 72.43 H new ATOM 0 HA SER A 23 -4.253 -15.634 -2.675 1.00 41.13 H new ATOM 0 HB2 SER A 23 -6.067 -15.099 -4.393 1.00 63.43 H new ATOM 0 HB3 SER A 23 -6.090 -16.726 -3.743 1.00 63.43 H new ATOM 0 HG SER A 23 -8.200 -15.752 -3.745 1.00 74.05 H new ATOM 389 N THR A 24 -6.106 -13.143 -1.592 1.00 41.44 N ATOM 390 CA THR A 24 -6.122 -11.703 -1.376 1.00 12.40 C ATOM 391 C THR A 24 -5.054 -11.309 -0.359 1.00 75.42 C ATOM 392 O THR A 24 -4.453 -10.236 -0.453 1.00 30.13 O ATOM 393 CB THR A 24 -7.505 -11.222 -0.888 1.00 60.33 C ATOM 394 OG1 THR A 24 -8.529 -11.690 -1.780 1.00 64.24 O ATOM 395 CG2 THR A 24 -7.555 -9.699 -0.812 1.00 3.24 C ATOM 0 H THR A 24 -6.879 -13.642 -1.151 1.00 41.44 H new ATOM 0 HA THR A 24 -5.910 -11.223 -2.331 1.00 12.40 H new ATOM 0 HB THR A 24 -7.674 -11.628 0.110 1.00 60.33 H new ATOM 0 HG1 THR A 24 -8.737 -12.626 -1.577 1.00 64.24 H new ATOM 0 HG21 THR A 24 -8.539 -9.384 -0.466 1.00 3.24 H new ATOM 0 HG22 THR A 24 -6.795 -9.344 -0.116 1.00 3.24 H new ATOM 0 HG23 THR A 24 -7.366 -9.279 -1.800 1.00 3.24 H new ATOM 403 N LYS A 25 -4.814 -12.193 0.610 1.00 54.13 N ATOM 404 CA LYS A 25 -3.750 -11.992 1.586 1.00 70.54 C ATOM 405 C LYS A 25 -2.423 -11.788 0.880 1.00 42.32 C ATOM 406 O LYS A 25 -1.662 -10.880 1.216 1.00 61.04 O ATOM 407 CB LYS A 25 -3.649 -13.184 2.545 1.00 4.03 C ATOM 408 CG LYS A 25 -4.791 -13.258 3.548 1.00 22.13 C ATOM 409 CD LYS A 25 -4.596 -14.366 4.578 1.00 2.34 C ATOM 410 CE LYS A 25 -3.255 -14.267 5.306 1.00 74.41 C ATOM 411 NZ LYS A 25 -2.841 -12.865 5.575 1.00 35.43 N ATOM 0 H LYS A 25 -5.344 -13.055 0.737 1.00 54.13 H new ATOM 0 HA LYS A 25 -3.990 -11.102 2.167 1.00 70.54 H new ATOM 0 HB2 LYS A 25 -3.627 -14.106 1.964 1.00 4.03 H new ATOM 0 HB3 LYS A 25 -2.705 -13.125 3.086 1.00 4.03 H new ATOM 0 HG2 LYS A 25 -4.881 -12.301 4.062 1.00 22.13 H new ATOM 0 HG3 LYS A 25 -5.728 -13.423 3.015 1.00 22.13 H new ATOM 0 HD2 LYS A 25 -5.405 -14.324 5.308 1.00 2.34 H new ATOM 0 HD3 LYS A 25 -4.664 -15.334 4.081 1.00 2.34 H new ATOM 0 HE2 LYS A 25 -3.320 -14.808 6.250 1.00 74.41 H new ATOM 0 HE3 LYS A 25 -2.487 -14.758 4.709 1.00 74.41 H new ATOM 0 HZ1 LYS A 25 -2.495 -12.787 6.553 1.00 35.43 H new ATOM 0 HZ2 LYS A 25 -2.083 -12.595 4.917 1.00 35.43 H new ATOM 0 HZ3 LYS A 25 -3.655 -12.231 5.444 1.00 35.43 H new ATOM 425 N ARG A 26 -2.176 -12.623 -0.120 1.00 65.43 N ATOM 426 CA ARG A 26 -0.970 -12.531 -0.924 1.00 44.21 C ATOM 427 C ARG A 26 -0.793 -11.129 -1.497 1.00 52.15 C ATOM 428 O ARG A 26 0.300 -10.573 -1.439 1.00 4.31 O ATOM 429 CB ARG A 26 -1.020 -13.555 -2.058 1.00 43.23 C ATOM 430 CG ARG A 26 0.154 -13.455 -3.017 1.00 33.02 C ATOM 431 CD ARG A 26 0.021 -14.436 -4.166 1.00 62.24 C ATOM 432 NE ARG A 26 -1.190 -14.208 -4.956 1.00 4.33 N ATOM 433 CZ ARG A 26 -1.382 -14.713 -6.173 1.00 61.23 C ATOM 434 NH1 ARG A 26 -0.436 -15.453 -6.743 1.00 21.03 N ATOM 435 NH2 ARG A 26 -2.517 -14.477 -6.820 1.00 63.23 N ATOM 0 H ARG A 26 -2.804 -13.379 -0.394 1.00 65.43 H new ATOM 0 HA ARG A 26 -0.117 -12.744 -0.280 1.00 44.21 H new ATOM 0 HB2 ARG A 26 -1.046 -14.557 -1.631 1.00 43.23 H new ATOM 0 HB3 ARG A 26 -1.947 -13.423 -2.616 1.00 43.23 H new ATOM 0 HG2 ARG A 26 0.218 -12.440 -3.410 1.00 33.02 H new ATOM 0 HG3 ARG A 26 1.082 -13.648 -2.479 1.00 33.02 H new ATOM 0 HD2 ARG A 26 0.894 -14.354 -4.813 1.00 62.24 H new ATOM 0 HD3 ARG A 26 0.009 -15.453 -3.773 1.00 62.24 H new ATOM 0 HE ARG A 26 -1.927 -13.631 -4.552 1.00 4.33 H new ATOM 0 HH11 ARG A 26 0.437 -15.634 -6.248 1.00 21.03 H new ATOM 0 HH12 ARG A 26 -0.583 -15.840 -7.675 1.00 21.03 H new ATOM 0 HH21 ARG A 26 -3.243 -13.908 -6.385 1.00 63.23 H new ATOM 0 HH22 ARG A 26 -2.663 -14.864 -7.752 1.00 63.23 H new ATOM 449 N HIS A 27 -1.870 -10.561 -2.033 1.00 2.41 N ATOM 450 CA HIS A 27 -1.811 -9.237 -2.649 1.00 63.54 C ATOM 451 C HIS A 27 -1.329 -8.193 -1.647 1.00 20.40 C ATOM 452 O HIS A 27 -0.376 -7.459 -1.911 1.00 63.50 O ATOM 453 CB HIS A 27 -3.179 -8.821 -3.202 1.00 73.15 C ATOM 454 CG HIS A 27 -3.662 -9.661 -4.347 1.00 21.35 C ATOM 455 ND1 HIS A 27 -3.053 -9.619 -5.574 1.00 14.51 N ATOM 456 CD2 HIS A 27 -4.701 -10.524 -4.398 1.00 31.23 C ATOM 457 CE1 HIS A 27 -3.729 -10.453 -6.344 1.00 1.31 C ATOM 458 NE2 HIS A 27 -4.741 -11.026 -5.675 1.00 44.23 N ATOM 0 H HIS A 27 -2.793 -10.995 -2.054 1.00 2.41 H new ATOM 0 HA HIS A 27 -1.102 -9.294 -3.475 1.00 63.54 H new ATOM 0 HB2 HIS A 27 -3.913 -8.868 -2.397 1.00 73.15 H new ATOM 0 HB3 HIS A 27 -3.126 -7.782 -3.526 1.00 73.15 H new ATOM 0 HD2 HIS A 27 -5.372 -10.771 -3.589 1.00 31.23 H new ATOM 0 HE1 HIS A 27 -3.497 -10.649 -7.380 1.00 1.31 H new ATOM 0 HE2 HIS A 27 -5.410 -11.703 -6.043 1.00 44.23 H new ATOM 466 N TYR A 28 -1.982 -8.150 -0.492 1.00 33.20 N ATOM 467 CA TYR A 28 -1.635 -7.191 0.549 1.00 2.11 C ATOM 468 C TYR A 28 -0.210 -7.399 1.050 1.00 50.40 C ATOM 469 O TYR A 28 0.568 -6.453 1.142 1.00 32.11 O ATOM 470 CB TYR A 28 -2.602 -7.302 1.729 1.00 3.52 C ATOM 471 CG TYR A 28 -3.919 -6.583 1.532 1.00 12.11 C ATOM 472 CD1 TYR A 28 -5.014 -7.221 0.961 1.00 73.31 C ATOM 473 CD2 TYR A 28 -4.069 -5.263 1.939 1.00 44.11 C ATOM 474 CE1 TYR A 28 -6.219 -6.561 0.803 1.00 55.32 C ATOM 475 CE2 TYR A 28 -5.268 -4.599 1.784 1.00 64.21 C ATOM 476 CZ TYR A 28 -6.340 -5.250 1.216 1.00 32.41 C ATOM 477 OH TYR A 28 -7.533 -4.583 1.059 1.00 14.55 O ATOM 0 H TYR A 28 -2.756 -8.769 -0.253 1.00 33.20 H new ATOM 0 HA TYR A 28 -1.709 -6.197 0.107 1.00 2.11 H new ATOM 0 HB2 TYR A 28 -2.803 -8.356 1.919 1.00 3.52 H new ATOM 0 HB3 TYR A 28 -2.115 -6.904 2.620 1.00 3.52 H new ATOM 0 HD1 TYR A 28 -4.922 -8.247 0.636 1.00 73.31 H new ATOM 0 HD2 TYR A 28 -3.231 -4.747 2.385 1.00 44.11 H new ATOM 0 HE1 TYR A 28 -7.062 -7.070 0.358 1.00 55.32 H new ATOM 0 HE2 TYR A 28 -5.365 -3.573 2.107 1.00 64.21 H new ATOM 0 HH TYR A 28 -7.501 -4.044 0.241 1.00 14.55 H new ATOM 487 N GLU A 29 0.128 -8.640 1.368 1.00 2.41 N ATOM 488 CA GLU A 29 1.420 -8.948 1.962 1.00 4.32 C ATOM 489 C GLU A 29 2.564 -8.750 0.967 1.00 1.20 C ATOM 490 O GLU A 29 3.622 -8.240 1.331 1.00 74.34 O ATOM 491 CB GLU A 29 1.411 -10.367 2.536 1.00 31.11 C ATOM 492 CG GLU A 29 0.386 -10.533 3.651 1.00 64.32 C ATOM 493 CD GLU A 29 0.338 -11.930 4.230 1.00 20.00 C ATOM 494 OE1 GLU A 29 1.284 -12.318 4.954 1.00 42.51 O ATOM 495 OE2 GLU A 29 -0.662 -12.637 3.997 1.00 62.04 O ATOM 0 H GLU A 29 -0.475 -9.450 1.224 1.00 2.41 H new ATOM 0 HA GLU A 29 1.594 -8.248 2.779 1.00 4.32 H new ATOM 0 HB2 GLU A 29 1.195 -11.078 1.738 1.00 31.11 H new ATOM 0 HB3 GLU A 29 2.403 -10.608 2.918 1.00 31.11 H new ATOM 0 HG2 GLU A 29 0.613 -9.826 4.449 1.00 64.32 H new ATOM 0 HG3 GLU A 29 -0.601 -10.274 3.267 1.00 64.32 H new ATOM 502 N SER A 30 2.353 -9.127 -0.288 1.00 33.12 N ATOM 503 CA SER A 30 3.358 -8.907 -1.326 1.00 73.33 C ATOM 504 C SER A 30 3.567 -7.412 -1.548 1.00 33.41 C ATOM 505 O SER A 30 4.695 -6.952 -1.724 1.00 1.44 O ATOM 506 CB SER A 30 2.943 -9.583 -2.633 1.00 1.31 C ATOM 507 OG SER A 30 2.721 -10.971 -2.441 1.00 24.14 O ATOM 0 H SER A 30 1.501 -9.584 -0.613 1.00 33.12 H new ATOM 0 HA SER A 30 4.297 -9.349 -0.994 1.00 73.33 H new ATOM 0 HB2 SER A 30 2.036 -9.116 -3.016 1.00 1.31 H new ATOM 0 HB3 SER A 30 3.719 -9.436 -3.385 1.00 1.31 H new ATOM 0 HG SER A 30 1.917 -11.101 -1.896 1.00 24.14 H new ATOM 513 N ALA A 31 2.471 -6.657 -1.521 1.00 45.41 N ATOM 514 CA ALA A 31 2.542 -5.205 -1.615 1.00 72.40 C ATOM 515 C ALA A 31 3.332 -4.654 -0.435 1.00 31.34 C ATOM 516 O ALA A 31 4.218 -3.814 -0.599 1.00 33.25 O ATOM 517 CB ALA A 31 1.141 -4.611 -1.652 1.00 14.01 C ATOM 0 H ALA A 31 1.525 -7.028 -1.435 1.00 45.41 H new ATOM 0 HA ALA A 31 3.052 -4.928 -2.538 1.00 72.40 H new ATOM 0 HB1 ALA A 31 1.208 -3.525 -1.722 1.00 14.01 H new ATOM 0 HB2 ALA A 31 0.604 -4.998 -2.518 1.00 14.01 H new ATOM 0 HB3 ALA A 31 0.606 -4.883 -0.742 1.00 14.01 H new ATOM 523 N TYR A 32 3.015 -5.166 0.750 1.00 1.05 N ATOM 524 CA TYR A 32 3.714 -4.802 1.975 1.00 32.32 C ATOM 525 C TYR A 32 5.212 -5.079 1.862 1.00 74.25 C ATOM 526 O TYR A 32 6.026 -4.332 2.396 1.00 43.55 O ATOM 527 CB TYR A 32 3.112 -5.571 3.158 1.00 25.21 C ATOM 528 CG TYR A 32 3.919 -5.487 4.435 1.00 74.21 C ATOM 529 CD1 TYR A 32 4.039 -4.291 5.132 1.00 35.02 C ATOM 530 CD2 TYR A 32 4.561 -6.609 4.941 1.00 71.10 C ATOM 531 CE1 TYR A 32 4.777 -4.219 6.298 1.00 64.32 C ATOM 532 CE2 TYR A 32 5.298 -6.544 6.106 1.00 54.24 C ATOM 533 CZ TYR A 32 5.404 -5.347 6.780 1.00 2.51 C ATOM 534 OH TYR A 32 6.136 -5.280 7.943 1.00 70.54 O ATOM 0 H TYR A 32 2.266 -5.845 0.887 1.00 1.05 H new ATOM 0 HA TYR A 32 3.590 -3.732 2.140 1.00 32.32 H new ATOM 0 HB2 TYR A 32 2.109 -5.190 3.351 1.00 25.21 H new ATOM 0 HB3 TYR A 32 3.006 -6.619 2.878 1.00 25.21 H new ATOM 0 HD1 TYR A 32 3.548 -3.405 4.757 1.00 35.02 H new ATOM 0 HD2 TYR A 32 4.482 -7.548 4.414 1.00 71.10 H new ATOM 0 HE1 TYR A 32 4.862 -3.282 6.829 1.00 64.32 H new ATOM 0 HE2 TYR A 32 5.789 -7.427 6.487 1.00 54.24 H new ATOM 0 HH TYR A 32 6.512 -6.162 8.144 1.00 70.54 H new ATOM 544 N LYS A 33 5.573 -6.146 1.160 1.00 5.34 N ATOM 545 CA LYS A 33 6.978 -6.483 0.960 1.00 14.04 C ATOM 546 C LYS A 33 7.690 -5.410 0.140 1.00 34.33 C ATOM 547 O LYS A 33 8.814 -5.020 0.459 1.00 64.12 O ATOM 548 CB LYS A 33 7.120 -7.843 0.273 1.00 71.11 C ATOM 549 CG LYS A 33 7.689 -8.922 1.177 1.00 63.42 C ATOM 550 CD LYS A 33 6.655 -9.465 2.152 1.00 14.31 C ATOM 551 CE LYS A 33 5.672 -10.412 1.477 1.00 2.33 C ATOM 552 NZ LYS A 33 6.345 -11.591 0.871 1.00 32.41 N ATOM 0 H LYS A 33 4.916 -6.791 0.721 1.00 5.34 H new ATOM 0 HA LYS A 33 7.446 -6.535 1.943 1.00 14.04 H new ATOM 0 HB2 LYS A 33 6.143 -8.162 -0.089 1.00 71.11 H new ATOM 0 HB3 LYS A 33 7.764 -7.735 -0.600 1.00 71.11 H new ATOM 0 HG2 LYS A 33 8.073 -9.739 0.566 1.00 63.42 H new ATOM 0 HG3 LYS A 33 8.533 -8.517 1.735 1.00 63.42 H new ATOM 0 HD2 LYS A 33 7.162 -9.987 2.963 1.00 14.31 H new ATOM 0 HD3 LYS A 33 6.109 -8.635 2.600 1.00 14.31 H new ATOM 0 HE2 LYS A 33 4.939 -10.752 2.208 1.00 2.33 H new ATOM 0 HE3 LYS A 33 5.125 -9.873 0.704 1.00 2.33 H new ATOM 0 HZ1 LYS A 33 5.655 -12.359 0.746 1.00 32.41 H new ATOM 0 HZ2 LYS A 33 6.741 -11.327 -0.054 1.00 32.41 H new ATOM 0 HZ3 LYS A 33 7.111 -11.913 1.496 1.00 32.41 H new ATOM 566 N HIS A 34 7.035 -4.934 -0.916 1.00 4.45 N ATOM 567 CA HIS A 34 7.583 -3.841 -1.713 1.00 52.11 C ATOM 568 C HIS A 34 7.657 -2.573 -0.871 1.00 31.13 C ATOM 569 O HIS A 34 8.596 -1.788 -0.986 1.00 73.53 O ATOM 570 CB HIS A 34 6.735 -3.575 -2.964 1.00 73.53 C ATOM 571 CG HIS A 34 6.854 -4.612 -4.040 1.00 1.41 C ATOM 572 ND1 HIS A 34 7.671 -4.481 -5.144 1.00 44.22 N ATOM 573 CD2 HIS A 34 6.220 -5.802 -4.186 1.00 1.55 C ATOM 574 CE1 HIS A 34 7.508 -5.568 -5.907 1.00 4.42 C ATOM 575 NE2 HIS A 34 6.638 -6.403 -5.370 1.00 75.41 N ATOM 0 H HIS A 34 6.132 -5.284 -1.237 1.00 4.45 H new ATOM 0 HA HIS A 34 8.583 -4.133 -2.035 1.00 52.11 H new ATOM 0 HB2 HIS A 34 5.689 -3.499 -2.667 1.00 73.53 H new ATOM 0 HB3 HIS A 34 7.019 -2.608 -3.379 1.00 73.53 H new ATOM 0 HD1 HIS A 34 8.290 -3.695 -5.343 1.00 44.22 H new ATOM 0 HD2 HIS A 34 5.504 -6.218 -3.493 1.00 1.55 H new ATOM 0 HE1 HIS A 34 8.022 -5.740 -6.841 1.00 4.42 H new ATOM 583 N ILE A 35 6.670 -2.396 -0.004 1.00 71.32 N ATOM 584 CA ILE A 35 6.592 -1.208 0.834 1.00 11.53 C ATOM 585 C ILE A 35 7.685 -1.226 1.896 1.00 30.52 C ATOM 586 O ILE A 35 8.367 -0.228 2.110 1.00 51.53 O ATOM 587 CB ILE A 35 5.208 -1.082 1.509 1.00 32.15 C ATOM 588 CG1 ILE A 35 4.122 -0.908 0.446 1.00 53.32 C ATOM 589 CG2 ILE A 35 5.190 0.088 2.484 1.00 60.14 C ATOM 590 CD1 ILE A 35 2.717 -0.903 1.002 1.00 15.04 C ATOM 0 H ILE A 35 5.910 -3.062 0.138 1.00 71.32 H new ATOM 0 HA ILE A 35 6.737 -0.343 0.187 1.00 11.53 H new ATOM 0 HB ILE A 35 5.009 -1.995 2.070 1.00 32.15 H new ATOM 0 HG12 ILE A 35 4.295 0.027 -0.086 1.00 53.32 H new ATOM 0 HG13 ILE A 35 4.210 -1.712 -0.285 1.00 53.32 H new ATOM 0 HG21 ILE A 35 4.207 0.159 2.949 1.00 60.14 H new ATOM 0 HG22 ILE A 35 5.945 -0.069 3.255 1.00 60.14 H new ATOM 0 HG23 ILE A 35 5.406 1.012 1.948 1.00 60.14 H new ATOM 0 HD11 ILE A 35 2.004 -0.775 0.188 1.00 15.04 H new ATOM 0 HD12 ILE A 35 2.523 -1.848 1.509 1.00 15.04 H new ATOM 0 HD13 ILE A 35 2.609 -0.082 1.711 1.00 15.04 H new ATOM 602 N LYS A 36 7.861 -2.376 2.535 1.00 4.35 N ATOM 603 CA LYS A 36 8.875 -2.539 3.568 1.00 24.41 C ATOM 604 C LYS A 36 10.279 -2.360 2.989 1.00 24.34 C ATOM 605 O LYS A 36 11.204 -1.943 3.684 1.00 70.11 O ATOM 606 CB LYS A 36 8.741 -3.919 4.226 1.00 51.31 C ATOM 607 CG LYS A 36 9.696 -4.135 5.387 1.00 54.14 C ATOM 608 CD LYS A 36 9.433 -5.441 6.126 1.00 12.02 C ATOM 609 CE LYS A 36 9.661 -6.663 5.249 1.00 74.44 C ATOM 610 NZ LYS A 36 9.553 -7.925 6.029 1.00 2.43 N ATOM 0 H LYS A 36 7.310 -3.215 2.354 1.00 4.35 H new ATOM 0 HA LYS A 36 8.720 -1.770 4.324 1.00 24.41 H new ATOM 0 HB2 LYS A 36 7.718 -4.046 4.580 1.00 51.31 H new ATOM 0 HB3 LYS A 36 8.916 -4.689 3.475 1.00 51.31 H new ATOM 0 HG2 LYS A 36 10.721 -4.132 5.015 1.00 54.14 H new ATOM 0 HG3 LYS A 36 9.608 -3.303 6.085 1.00 54.14 H new ATOM 0 HD2 LYS A 36 10.083 -5.498 6.999 1.00 12.02 H new ATOM 0 HD3 LYS A 36 8.406 -5.447 6.492 1.00 12.02 H new ATOM 0 HE2 LYS A 36 8.931 -6.672 4.439 1.00 74.44 H new ATOM 0 HE3 LYS A 36 10.647 -6.602 4.789 1.00 74.44 H new ATOM 0 HZ1 LYS A 36 9.714 -8.737 5.400 1.00 2.43 H new ATOM 0 HZ2 LYS A 36 10.266 -7.927 6.786 1.00 2.43 H new ATOM 0 HZ3 LYS A 36 8.603 -7.994 6.447 1.00 2.43 H new ATOM 624 N ASP A 37 10.430 -2.675 1.710 1.00 21.11 N ATOM 625 CA ASP A 37 11.722 -2.559 1.046 1.00 43.51 C ATOM 626 C ASP A 37 11.984 -1.130 0.570 1.00 34.44 C ATOM 627 O ASP A 37 13.116 -0.649 0.623 1.00 1.51 O ATOM 628 CB ASP A 37 11.806 -3.526 -0.133 1.00 33.52 C ATOM 629 CG ASP A 37 13.098 -3.375 -0.907 1.00 42.12 C ATOM 630 OD1 ASP A 37 14.163 -3.754 -0.378 1.00 32.24 O ATOM 631 OD2 ASP A 37 13.048 -2.878 -2.051 1.00 75.44 O ATOM 0 H ASP A 37 9.676 -3.012 1.112 1.00 21.11 H new ATOM 0 HA ASP A 37 12.489 -2.817 1.776 1.00 43.51 H new ATOM 0 HB2 ASP A 37 11.721 -4.549 0.232 1.00 33.52 H new ATOM 0 HB3 ASP A 37 10.962 -3.355 -0.801 1.00 33.52 H new ATOM 636 N HIS A 38 10.941 -0.452 0.109 1.00 34.50 N ATOM 637 CA HIS A 38 11.082 0.919 -0.380 1.00 74.40 C ATOM 638 C HIS A 38 11.032 1.924 0.766 1.00 23.23 C ATOM 639 O HIS A 38 11.968 2.695 0.976 1.00 15.15 O ATOM 640 CB HIS A 38 9.988 1.263 -1.396 1.00 73.32 C ATOM 641 CG HIS A 38 10.218 0.705 -2.767 1.00 52.40 C ATOM 642 ND1 HIS A 38 10.922 1.377 -3.744 1.00 71.35 N ATOM 643 CD2 HIS A 38 9.806 -0.451 -3.337 1.00 31.24 C ATOM 644 CE1 HIS A 38 10.927 0.663 -4.851 1.00 61.43 C ATOM 645 NE2 HIS A 38 10.257 -0.450 -4.630 1.00 41.11 N ATOM 0 H HIS A 38 9.992 -0.824 0.062 1.00 34.50 H new ATOM 0 HA HIS A 38 12.055 0.981 -0.868 1.00 74.40 H new ATOM 0 HB2 HIS A 38 9.033 0.893 -1.022 1.00 73.32 H new ATOM 0 HB3 HIS A 38 9.904 2.347 -1.468 1.00 73.32 H new ATOM 0 HD2 HIS A 38 9.229 -1.230 -2.861 1.00 31.24 H new ATOM 0 HE1 HIS A 38 11.400 0.942 -5.781 1.00 61.43 H new ATOM 0 HE2 HIS A 38 10.100 -1.192 -5.312 1.00 41.11 H new ATOM 654 N PHE A 39 9.945 1.888 1.520 1.00 33.11 N ATOM 655 CA PHE A 39 9.675 2.893 2.536 1.00 62.42 C ATOM 656 C PHE A 39 10.270 2.490 3.882 1.00 33.51 C ATOM 657 O PHE A 39 9.598 2.533 4.916 1.00 42.23 O ATOM 658 CB PHE A 39 8.164 3.114 2.649 1.00 45.34 C ATOM 659 CG PHE A 39 7.553 3.640 1.382 1.00 41.12 C ATOM 660 CD1 PHE A 39 7.706 4.968 1.035 1.00 14.11 C ATOM 661 CD2 PHE A 39 6.828 2.811 0.540 1.00 3.42 C ATOM 662 CE1 PHE A 39 7.150 5.467 -0.123 1.00 54.25 C ATOM 663 CE2 PHE A 39 6.267 3.304 -0.624 1.00 51.14 C ATOM 664 CZ PHE A 39 6.429 4.635 -0.956 1.00 45.11 C ATOM 0 H PHE A 39 9.229 1.166 1.446 1.00 33.11 H new ATOM 0 HA PHE A 39 10.149 3.828 2.239 1.00 62.42 H new ATOM 0 HB2 PHE A 39 7.683 2.172 2.914 1.00 45.34 H new ATOM 0 HB3 PHE A 39 7.964 3.814 3.460 1.00 45.34 H new ATOM 0 HD1 PHE A 39 8.270 5.625 1.681 1.00 14.11 H new ATOM 0 HD2 PHE A 39 6.700 1.770 0.796 1.00 3.42 H new ATOM 0 HE1 PHE A 39 7.278 6.508 -0.379 1.00 54.25 H new ATOM 0 HE2 PHE A 39 5.703 2.650 -1.272 1.00 51.14 H new ATOM 0 HZ PHE A 39 5.993 5.024 -1.864 1.00 45.11 H new ATOM 674 N ARG A 40 11.542 2.121 3.854 1.00 11.42 N ATOM 675 CA ARG A 40 12.262 1.738 5.060 1.00 11.34 C ATOM 676 C ARG A 40 12.341 2.913 6.026 1.00 33.25 C ATOM 677 O ARG A 40 13.046 3.891 5.769 1.00 34.03 O ATOM 678 CB ARG A 40 13.672 1.261 4.713 1.00 70.22 C ATOM 679 CG ARG A 40 13.701 0.118 3.714 1.00 65.10 C ATOM 680 CD ARG A 40 15.122 -0.331 3.420 1.00 70.41 C ATOM 681 NE ARG A 40 15.169 -1.371 2.395 1.00 2.34 N ATOM 682 CZ ARG A 40 16.179 -2.226 2.249 1.00 31.41 C ATOM 683 NH1 ARG A 40 17.218 -2.178 3.075 1.00 3.53 N ATOM 684 NH2 ARG A 40 16.145 -3.133 1.281 1.00 75.14 N ATOM 0 H ARG A 40 12.101 2.079 3.002 1.00 11.42 H new ATOM 0 HA ARG A 40 11.720 0.921 5.536 1.00 11.34 H new ATOM 0 HB2 ARG A 40 14.240 2.099 4.310 1.00 70.22 H new ATOM 0 HB3 ARG A 40 14.175 0.946 5.627 1.00 70.22 H new ATOM 0 HG2 ARG A 40 13.127 -0.722 4.105 1.00 65.10 H new ATOM 0 HG3 ARG A 40 13.219 0.431 2.788 1.00 65.10 H new ATOM 0 HD2 ARG A 40 15.712 0.525 3.094 1.00 70.41 H new ATOM 0 HD3 ARG A 40 15.581 -0.704 4.336 1.00 70.41 H new ATOM 0 HE ARG A 40 14.380 -1.447 1.752 1.00 2.34 H new ATOM 0 HH11 ARG A 40 17.243 -1.485 3.823 1.00 3.53 H new ATOM 0 HH12 ARG A 40 17.991 -2.834 2.961 1.00 3.53 H new ATOM 0 HH21 ARG A 40 15.345 -3.175 0.649 1.00 75.14 H new ATOM 0 HH22 ARG A 40 16.919 -3.788 1.169 1.00 75.14 H new ATOM 698 N HIS A 41 11.577 2.821 7.117 1.00 62.13 N ATOM 699 CA HIS A 41 11.552 3.852 8.160 1.00 44.21 C ATOM 700 C HIS A 41 10.967 5.167 7.649 1.00 2.24 C ATOM 701 O HIS A 41 11.076 6.202 8.307 1.00 65.21 O ATOM 702 CB HIS A 41 12.954 4.087 8.740 1.00 60.20 C ATOM 703 CG HIS A 41 13.314 3.148 9.848 1.00 52.23 C ATOM 704 ND1 HIS A 41 14.079 3.528 10.926 1.00 22.53 N ATOM 705 CD2 HIS A 41 13.006 1.844 10.049 1.00 0.23 C ATOM 706 CE1 HIS A 41 14.225 2.503 11.743 1.00 10.00 C ATOM 707 NE2 HIS A 41 13.585 1.467 11.235 1.00 53.13 N ATOM 0 H HIS A 41 10.959 2.031 7.303 1.00 62.13 H new ATOM 0 HA HIS A 41 10.902 3.482 8.953 1.00 44.21 H new ATOM 0 HB2 HIS A 41 13.689 3.990 7.941 1.00 60.20 H new ATOM 0 HB3 HIS A 41 13.018 5.111 9.109 1.00 60.20 H new ATOM 0 HD2 HIS A 41 12.415 1.218 9.397 1.00 0.23 H new ATOM 0 HE1 HIS A 41 14.776 2.510 12.672 1.00 10.00 H new ATOM 0 HE2 HIS A 41 13.530 0.539 11.655 1.00 53.13 H new ATOM 716 N LYS A 42 10.331 5.122 6.488 1.00 33.04 N ATOM 717 CA LYS A 42 9.705 6.290 5.922 1.00 33.12 C ATOM 718 C LYS A 42 8.289 6.450 6.470 1.00 1.22 C ATOM 719 O LYS A 42 7.469 5.533 6.368 1.00 64.14 O ATOM 720 CB LYS A 42 9.692 6.145 4.408 1.00 15.11 C ATOM 721 CG LYS A 42 9.367 7.421 3.676 1.00 20.41 C ATOM 722 CD LYS A 42 9.854 7.359 2.247 1.00 53.41 C ATOM 723 CE LYS A 42 9.734 8.708 1.587 1.00 43.24 C ATOM 724 NZ LYS A 42 10.548 9.736 2.286 1.00 1.01 N ATOM 0 H LYS A 42 10.239 4.279 5.922 1.00 33.04 H new ATOM 0 HA LYS A 42 10.265 7.185 6.194 1.00 33.12 H new ATOM 0 HB2 LYS A 42 10.667 5.787 4.079 1.00 15.11 H new ATOM 0 HB3 LYS A 42 8.963 5.383 4.132 1.00 15.11 H new ATOM 0 HG2 LYS A 42 8.290 7.590 3.691 1.00 20.41 H new ATOM 0 HG3 LYS A 42 9.829 8.266 4.186 1.00 20.41 H new ATOM 0 HD2 LYS A 42 10.892 7.028 2.225 1.00 53.41 H new ATOM 0 HD3 LYS A 42 9.273 6.623 1.691 1.00 53.41 H new ATOM 0 HE2 LYS A 42 10.055 8.635 0.548 1.00 43.24 H new ATOM 0 HE3 LYS A 42 8.689 9.017 1.577 1.00 43.24 H new ATOM 0 HZ1 LYS A 42 10.705 10.545 1.651 1.00 1.01 H new ATOM 0 HZ2 LYS A 42 10.045 10.057 3.138 1.00 1.01 H new ATOM 0 HZ3 LYS A 42 11.464 9.327 2.559 1.00 1.01 H new ATOM 738 N LEU A 43 8.014 7.602 7.064 1.00 24.53 N ATOM 739 CA LEU A 43 6.708 7.864 7.655 1.00 54.41 C ATOM 740 C LEU A 43 5.668 8.064 6.566 1.00 54.41 C ATOM 741 O LEU A 43 5.984 8.526 5.472 1.00 50.41 O ATOM 742 CB LEU A 43 6.749 9.109 8.541 1.00 71.44 C ATOM 743 CG LEU A 43 7.836 9.123 9.611 1.00 42.04 C ATOM 744 CD1 LEU A 43 7.815 10.448 10.349 1.00 21.04 C ATOM 745 CD2 LEU A 43 7.656 7.964 10.581 1.00 45.34 C ATOM 0 H LEU A 43 8.678 8.372 7.150 1.00 24.53 H new ATOM 0 HA LEU A 43 6.440 7.002 8.266 1.00 54.41 H new ATOM 0 HB2 LEU A 43 6.882 9.983 7.903 1.00 71.44 H new ATOM 0 HB3 LEU A 43 5.781 9.216 9.031 1.00 71.44 H new ATOM 0 HG LEU A 43 8.805 9.005 9.126 1.00 42.04 H new ATOM 0 HD11 LEU A 43 8.594 10.452 11.112 1.00 21.04 H new ATOM 0 HD12 LEU A 43 7.994 11.260 9.644 1.00 21.04 H new ATOM 0 HD13 LEU A 43 6.843 10.586 10.822 1.00 21.04 H new ATOM 0 HD21 LEU A 43 8.443 7.995 11.335 1.00 45.34 H new ATOM 0 HD22 LEU A 43 6.684 8.044 11.068 1.00 45.34 H new ATOM 0 HD23 LEU A 43 7.712 7.022 10.036 1.00 45.34 H new ATOM 757 N LEU A 44 4.424 7.743 6.878 1.00 14.34 N ATOM 758 CA LEU A 44 3.349 7.850 5.900 1.00 21.33 C ATOM 759 C LEU A 44 3.013 9.315 5.603 1.00 43.34 C ATOM 760 O LEU A 44 2.364 9.621 4.606 1.00 22.21 O ATOM 761 CB LEU A 44 2.094 7.105 6.381 1.00 71.31 C ATOM 762 CG LEU A 44 1.243 7.825 7.433 1.00 10.41 C ATOM 763 CD1 LEU A 44 -0.092 7.121 7.592 1.00 35.50 C ATOM 764 CD2 LEU A 44 1.962 7.894 8.773 1.00 13.44 C ATOM 0 H LEU A 44 4.132 7.407 7.796 1.00 14.34 H new ATOM 0 HA LEU A 44 3.697 7.385 4.977 1.00 21.33 H new ATOM 0 HB2 LEU A 44 1.465 6.897 5.515 1.00 71.31 H new ATOM 0 HB3 LEU A 44 2.402 6.142 6.789 1.00 71.31 H new ATOM 0 HG LEU A 44 1.073 8.846 7.090 1.00 10.41 H new ATOM 0 HD11 LEU A 44 -0.690 7.640 8.341 1.00 35.50 H new ATOM 0 HD12 LEU A 44 -0.621 7.125 6.639 1.00 35.50 H new ATOM 0 HD13 LEU A 44 0.075 6.092 7.910 1.00 35.50 H new ATOM 0 HD21 LEU A 44 1.332 8.410 9.498 1.00 13.44 H new ATOM 0 HD22 LEU A 44 2.169 6.884 9.127 1.00 13.44 H new ATOM 0 HD23 LEU A 44 2.900 8.437 8.655 1.00 13.44 H new ATOM 776 N LYS A 45 3.474 10.219 6.457 1.00 54.12 N ATOM 777 CA LYS A 45 3.162 11.633 6.294 1.00 51.43 C ATOM 778 C LYS A 45 4.281 12.391 5.589 1.00 12.10 C ATOM 779 O LYS A 45 4.289 13.624 5.582 1.00 11.31 O ATOM 780 CB LYS A 45 2.864 12.293 7.640 1.00 44.34 C ATOM 781 CG LYS A 45 3.903 12.007 8.705 1.00 3.22 C ATOM 782 CD LYS A 45 3.896 13.067 9.797 1.00 52.33 C ATOM 783 CE LYS A 45 4.718 14.298 9.416 1.00 54.44 C ATOM 784 NZ LYS A 45 4.204 14.998 8.204 1.00 2.42 N ATOM 0 H LYS A 45 4.060 10.002 7.263 1.00 54.12 H new ATOM 0 HA LYS A 45 2.271 11.682 5.667 1.00 51.43 H new ATOM 0 HB2 LYS A 45 2.791 13.371 7.497 1.00 44.34 H new ATOM 0 HB3 LYS A 45 1.891 11.952 7.994 1.00 44.34 H new ATOM 0 HG2 LYS A 45 3.712 11.029 9.146 1.00 3.22 H new ATOM 0 HG3 LYS A 45 4.891 11.963 8.247 1.00 3.22 H new ATOM 0 HD2 LYS A 45 2.869 13.368 10.001 1.00 52.33 H new ATOM 0 HD3 LYS A 45 4.292 12.639 10.718 1.00 52.33 H new ATOM 0 HE2 LYS A 45 4.725 14.995 10.254 1.00 54.44 H new ATOM 0 HE3 LYS A 45 5.751 13.997 9.243 1.00 54.44 H new ATOM 0 HZ1 LYS A 45 4.728 15.886 8.067 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 4.331 14.389 7.371 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 3.193 15.209 8.327 1.00 2.42 H new ATOM 798 N ASP A 46 5.238 11.668 5.022 1.00 51.25 N ATOM 799 CA ASP A 46 6.238 12.295 4.163 1.00 3.34 C ATOM 800 C ASP A 46 6.307 11.567 2.829 1.00 32.44 C ATOM 801 O ASP A 46 7.226 11.772 2.037 1.00 43.22 O ATOM 802 CB ASP A 46 7.624 12.371 4.831 1.00 70.45 C ATOM 803 CG ASP A 46 8.262 11.028 5.121 1.00 15.34 C ATOM 804 OD1 ASP A 46 8.897 10.455 4.214 1.00 43.15 O ATOM 805 OD2 ASP A 46 8.171 10.570 6.278 1.00 41.54 O ATOM 0 H ASP A 46 5.344 10.660 5.138 1.00 51.25 H new ATOM 0 HA ASP A 46 5.926 13.325 3.989 1.00 3.34 H new ATOM 0 HB2 ASP A 46 8.292 12.943 4.187 1.00 70.45 H new ATOM 0 HB3 ASP A 46 7.532 12.923 5.766 1.00 70.45 H new ATOM 810 N ILE A 47 5.307 10.733 2.575 1.00 72.13 N ATOM 811 CA ILE A 47 5.195 10.043 1.299 1.00 35.31 C ATOM 812 C ILE A 47 4.733 11.024 0.230 1.00 41.24 C ATOM 813 O ILE A 47 3.606 11.521 0.276 1.00 21.24 O ATOM 814 CB ILE A 47 4.193 8.868 1.362 1.00 43.30 C ATOM 815 CG1 ILE A 47 4.490 7.960 2.558 1.00 72.21 C ATOM 816 CG2 ILE A 47 4.230 8.067 0.067 1.00 32.30 C ATOM 817 CD1 ILE A 47 5.872 7.347 2.535 1.00 72.35 C ATOM 0 H ILE A 47 4.562 10.519 3.237 1.00 72.13 H new ATOM 0 HA ILE A 47 6.178 9.640 1.056 1.00 35.31 H new ATOM 0 HB ILE A 47 3.193 9.282 1.489 1.00 43.30 H new ATOM 0 HG12 ILE A 47 4.374 8.536 3.476 1.00 72.21 H new ATOM 0 HG13 ILE A 47 3.749 7.161 2.587 1.00 72.21 H new ATOM 0 HG21 ILE A 47 3.519 7.243 0.128 1.00 32.30 H new ATOM 0 HG22 ILE A 47 3.965 8.714 -0.769 1.00 32.30 H new ATOM 0 HG23 ILE A 47 5.233 7.669 -0.086 1.00 32.30 H new ATOM 0 HD11 ILE A 47 6.006 6.718 3.415 1.00 72.35 H new ATOM 0 HD12 ILE A 47 5.987 6.742 1.635 1.00 72.35 H new ATOM 0 HD13 ILE A 47 6.621 8.139 2.538 1.00 72.35 H new ATOM 829 N LYS A 48 5.606 11.325 -0.717 1.00 4.12 N ATOM 830 CA LYS A 48 5.273 12.264 -1.774 1.00 2.42 C ATOM 831 C LYS A 48 4.499 11.562 -2.878 1.00 3.51 C ATOM 832 O LYS A 48 4.487 10.332 -2.955 1.00 21.54 O ATOM 833 CB LYS A 48 6.532 12.902 -2.359 1.00 51.12 C ATOM 834 CG LYS A 48 7.472 13.487 -1.320 1.00 35.35 C ATOM 835 CD LYS A 48 8.572 14.301 -1.978 1.00 21.22 C ATOM 836 CE LYS A 48 9.766 14.491 -1.063 1.00 61.32 C ATOM 837 NZ LYS A 48 10.425 13.199 -0.749 1.00 3.21 N ATOM 0 H LYS A 48 6.546 10.935 -0.775 1.00 4.12 H new ATOM 0 HA LYS A 48 4.654 13.049 -1.340 1.00 2.42 H new ATOM 0 HB2 LYS A 48 7.070 12.152 -2.939 1.00 51.12 H new ATOM 0 HB3 LYS A 48 6.238 13.690 -3.052 1.00 51.12 H new ATOM 0 HG2 LYS A 48 6.911 14.118 -0.631 1.00 35.35 H new ATOM 0 HG3 LYS A 48 7.913 12.684 -0.730 1.00 35.35 H new ATOM 0 HD2 LYS A 48 8.893 13.803 -2.893 1.00 21.22 H new ATOM 0 HD3 LYS A 48 8.178 15.276 -2.266 1.00 21.22 H new ATOM 0 HE2 LYS A 48 10.484 15.161 -1.536 1.00 61.32 H new ATOM 0 HE3 LYS A 48 9.444 14.970 -0.138 1.00 61.32 H new ATOM 0 HZ1 LYS A 48 11.457 13.329 -0.737 1.00 3.21 H new ATOM 0 HZ2 LYS A 48 10.107 12.865 0.183 1.00 3.21 H new ATOM 0 HZ3 LYS A 48 10.174 12.496 -1.473 1.00 3.21 H new ATOM 851 N ARG A 49 3.872 12.345 -3.742 1.00 31.54 N ATOM 852 CA ARG A 49 3.097 11.790 -4.843 1.00 42.22 C ATOM 853 C ARG A 49 4.033 11.129 -5.844 1.00 22.54 C ATOM 854 O ARG A 49 3.706 10.107 -6.439 1.00 42.13 O ATOM 855 CB ARG A 49 2.275 12.878 -5.546 1.00 42.22 C ATOM 856 CG ARG A 49 1.119 13.426 -4.720 1.00 23.34 C ATOM 857 CD ARG A 49 1.584 14.344 -3.596 1.00 1.54 C ATOM 858 NE ARG A 49 2.242 15.546 -4.106 1.00 44.50 N ATOM 859 CZ ARG A 49 1.807 16.787 -3.878 1.00 35.42 C ATOM 860 NH1 ARG A 49 0.716 16.991 -3.148 1.00 11.24 N ATOM 861 NH2 ARG A 49 2.463 17.825 -4.379 1.00 22.25 N ATOM 0 H ARG A 49 3.884 13.364 -3.703 1.00 31.54 H new ATOM 0 HA ARG A 49 2.407 11.050 -4.437 1.00 42.22 H new ATOM 0 HB2 ARG A 49 2.938 13.702 -5.812 1.00 42.22 H new ATOM 0 HB3 ARG A 49 1.880 12.473 -6.477 1.00 42.22 H new ATOM 0 HG2 ARG A 49 0.439 13.973 -5.373 1.00 23.34 H new ATOM 0 HG3 ARG A 49 0.555 12.595 -4.296 1.00 23.34 H new ATOM 0 HD2 ARG A 49 0.728 14.631 -2.985 1.00 1.54 H new ATOM 0 HD3 ARG A 49 2.272 13.802 -2.947 1.00 1.54 H new ATOM 0 HE ARG A 49 3.084 15.429 -4.670 1.00 44.50 H new ATOM 0 HH11 ARG A 49 0.207 16.197 -2.759 1.00 11.24 H new ATOM 0 HH12 ARG A 49 0.387 17.941 -2.976 1.00 11.24 H new ATOM 0 HH21 ARG A 49 3.302 17.676 -4.940 1.00 22.25 H new ATOM 0 HH22 ARG A 49 2.129 18.773 -4.203 1.00 22.25 H new ATOM 875 N THR A 50 5.200 11.727 -6.005 1.00 21.24 N ATOM 876 CA THR A 50 6.216 11.218 -6.906 1.00 22.53 C ATOM 877 C THR A 50 6.834 9.929 -6.369 1.00 24.24 C ATOM 878 O THR A 50 7.108 8.998 -7.127 1.00 42.43 O ATOM 879 CB THR A 50 7.300 12.282 -7.122 1.00 71.11 C ATOM 880 OG1 THR A 50 7.496 13.015 -5.903 1.00 13.51 O ATOM 881 CG2 THR A 50 6.897 13.236 -8.237 1.00 75.22 C ATOM 0 H THR A 50 5.469 12.580 -5.514 1.00 21.24 H new ATOM 0 HA THR A 50 5.744 10.988 -7.861 1.00 22.53 H new ATOM 0 HB THR A 50 8.229 11.788 -7.408 1.00 71.11 H new ATOM 0 HG1 THR A 50 8.189 13.694 -6.038 1.00 13.51 H new ATOM 0 HG21 THR A 50 7.678 13.984 -8.376 1.00 75.22 H new ATOM 0 HG22 THR A 50 6.761 12.677 -9.163 1.00 75.22 H new ATOM 0 HG23 THR A 50 5.963 13.732 -7.972 1.00 75.22 H new ATOM 889 N GLU A 51 7.036 9.874 -5.055 1.00 24.52 N ATOM 890 CA GLU A 51 7.530 8.664 -4.403 1.00 5.15 C ATOM 891 C GLU A 51 6.512 7.537 -4.540 1.00 22.13 C ATOM 892 O GLU A 51 6.869 6.380 -4.753 1.00 71.32 O ATOM 893 CB GLU A 51 7.808 8.922 -2.917 1.00 40.12 C ATOM 894 CG GLU A 51 9.278 9.111 -2.566 1.00 72.24 C ATOM 895 CD GLU A 51 9.898 10.350 -3.181 1.00 15.41 C ATOM 896 OE1 GLU A 51 9.680 11.458 -2.653 1.00 11.43 O ATOM 897 OE2 GLU A 51 10.620 10.219 -4.184 1.00 10.44 O ATOM 0 H GLU A 51 6.865 10.654 -4.420 1.00 24.52 H new ATOM 0 HA GLU A 51 8.460 8.373 -4.891 1.00 5.15 H new ATOM 0 HB2 GLU A 51 7.258 9.811 -2.608 1.00 40.12 H new ATOM 0 HB3 GLU A 51 7.415 8.086 -2.338 1.00 40.12 H new ATOM 0 HG2 GLU A 51 9.379 9.165 -1.482 1.00 72.24 H new ATOM 0 HG3 GLU A 51 9.836 8.235 -2.895 1.00 72.24 H new ATOM 904 N TYR A 52 5.242 7.886 -4.419 1.00 15.33 N ATOM 905 CA TYR A 52 4.167 6.918 -4.567 1.00 11.14 C ATOM 906 C TYR A 52 4.058 6.462 -6.020 1.00 74.51 C ATOM 907 O TYR A 52 3.829 5.285 -6.303 1.00 31.44 O ATOM 908 CB TYR A 52 2.847 7.533 -4.095 1.00 21.41 C ATOM 909 CG TYR A 52 1.678 6.576 -4.125 1.00 4.02 C ATOM 910 CD1 TYR A 52 1.738 5.355 -3.469 1.00 62.34 C ATOM 911 CD2 TYR A 52 0.512 6.897 -4.807 1.00 0.54 C ATOM 912 CE1 TYR A 52 0.670 4.480 -3.492 1.00 31.44 C ATOM 913 CE2 TYR A 52 -0.561 6.029 -4.832 1.00 51.52 C ATOM 914 CZ TYR A 52 -0.477 4.822 -4.173 1.00 31.34 C ATOM 915 OH TYR A 52 -1.545 3.957 -4.191 1.00 53.11 O ATOM 0 H TYR A 52 4.929 8.836 -4.218 1.00 15.33 H new ATOM 0 HA TYR A 52 4.388 6.045 -3.952 1.00 11.14 H new ATOM 0 HB2 TYR A 52 2.974 7.904 -3.078 1.00 21.41 H new ATOM 0 HB3 TYR A 52 2.615 8.394 -4.722 1.00 21.41 H new ATOM 0 HD1 TYR A 52 2.635 5.084 -2.931 1.00 62.34 H new ATOM 0 HD2 TYR A 52 0.443 7.841 -5.326 1.00 0.54 H new ATOM 0 HE1 TYR A 52 0.734 3.532 -2.978 1.00 31.44 H new ATOM 0 HE2 TYR A 52 -1.462 6.295 -5.365 1.00 51.52 H new ATOM 0 HH TYR A 52 -2.237 4.305 -4.791 1.00 53.11 H new ATOM 925 N GLN A 53 4.242 7.398 -6.936 1.00 53.40 N ATOM 926 CA GLN A 53 4.156 7.103 -8.357 1.00 51.33 C ATOM 927 C GLN A 53 5.297 6.195 -8.805 1.00 0.01 C ATOM 928 O GLN A 53 5.087 5.282 -9.601 1.00 42.04 O ATOM 929 CB GLN A 53 4.158 8.396 -9.172 1.00 0.20 C ATOM 930 CG GLN A 53 3.913 8.188 -10.659 1.00 61.22 C ATOM 931 CD GLN A 53 2.607 7.467 -10.945 1.00 60.55 C ATOM 932 OE1 GLN A 53 1.558 8.088 -11.073 1.00 4.41 O ATOM 933 NE2 GLN A 53 2.666 6.148 -11.064 1.00 74.34 N ATOM 0 H GLN A 53 4.453 8.372 -6.720 1.00 53.40 H new ATOM 0 HA GLN A 53 3.218 6.576 -8.532 1.00 51.33 H new ATOM 0 HB2 GLN A 53 3.392 9.064 -8.778 1.00 0.20 H new ATOM 0 HB3 GLN A 53 5.117 8.897 -9.038 1.00 0.20 H new ATOM 0 HG2 GLN A 53 3.906 9.156 -11.160 1.00 61.22 H new ATOM 0 HG3 GLN A 53 4.739 7.616 -11.082 1.00 61.22 H new ATOM 0 HE21 GLN A 53 3.557 5.665 -10.951 1.00 74.34 H new ATOM 0 HE22 GLN A 53 1.820 5.616 -11.269 1.00 74.34 H new ATOM 942 N LYS A 54 6.501 6.434 -8.288 1.00 61.11 N ATOM 943 CA LYS A 54 7.655 5.621 -8.660 1.00 73.31 C ATOM 944 C LYS A 54 7.499 4.201 -8.120 1.00 50.03 C ATOM 945 O LYS A 54 7.988 3.239 -8.714 1.00 64.24 O ATOM 946 CB LYS A 54 8.965 6.259 -8.174 1.00 72.12 C ATOM 947 CG LYS A 54 9.183 6.220 -6.673 1.00 1.40 C ATOM 948 CD LYS A 54 10.440 6.983 -6.282 1.00 62.32 C ATOM 949 CE LYS A 54 10.422 8.396 -6.851 1.00 5.45 C ATOM 950 NZ LYS A 54 11.593 9.200 -6.417 1.00 4.21 N ATOM 0 H LYS A 54 6.701 7.176 -7.617 1.00 61.11 H new ATOM 0 HA LYS A 54 7.702 5.571 -9.748 1.00 73.31 H new ATOM 0 HB2 LYS A 54 9.799 5.753 -8.660 1.00 72.12 H new ATOM 0 HB3 LYS A 54 8.988 7.298 -8.502 1.00 72.12 H new ATOM 0 HG2 LYS A 54 8.320 6.651 -6.166 1.00 1.40 H new ATOM 0 HG3 LYS A 54 9.264 5.185 -6.341 1.00 1.40 H new ATOM 0 HD2 LYS A 54 10.520 7.026 -5.196 1.00 62.32 H new ATOM 0 HD3 LYS A 54 11.320 6.452 -6.646 1.00 62.32 H new ATOM 0 HE2 LYS A 54 10.404 8.345 -7.940 1.00 5.45 H new ATOM 0 HE3 LYS A 54 9.506 8.898 -6.540 1.00 5.45 H new ATOM 0 HZ1 LYS A 54 11.797 9.929 -7.130 1.00 4.21 H new ATOM 0 HZ2 LYS A 54 11.383 9.656 -5.507 1.00 4.21 H new ATOM 0 HZ3 LYS A 54 12.420 8.579 -6.310 1.00 4.21 H new ATOM 964 N PHE A 55 6.792 4.083 -7.000 1.00 73.10 N ATOM 965 CA PHE A 55 6.442 2.785 -6.441 1.00 22.11 C ATOM 966 C PHE A 55 5.502 2.050 -7.397 1.00 23.33 C ATOM 967 O PHE A 55 5.686 0.866 -7.683 1.00 52.10 O ATOM 968 CB PHE A 55 5.782 2.974 -5.069 1.00 13.42 C ATOM 969 CG PHE A 55 5.285 1.706 -4.436 1.00 11.42 C ATOM 970 CD1 PHE A 55 6.162 0.842 -3.803 1.00 72.23 C ATOM 971 CD2 PHE A 55 3.938 1.386 -4.466 1.00 51.34 C ATOM 972 CE1 PHE A 55 5.703 -0.318 -3.211 1.00 41.22 C ATOM 973 CE2 PHE A 55 3.474 0.227 -3.878 1.00 64.13 C ATOM 974 CZ PHE A 55 4.357 -0.627 -3.249 1.00 72.23 C ATOM 0 H PHE A 55 6.449 4.877 -6.460 1.00 73.10 H new ATOM 0 HA PHE A 55 7.344 2.186 -6.312 1.00 22.11 H new ATOM 0 HB2 PHE A 55 6.500 3.444 -4.396 1.00 13.42 H new ATOM 0 HB3 PHE A 55 4.945 3.664 -5.175 1.00 13.42 H new ATOM 0 HD1 PHE A 55 7.216 1.078 -3.772 1.00 72.23 H new ATOM 0 HD2 PHE A 55 3.242 2.051 -4.955 1.00 51.34 H new ATOM 0 HE1 PHE A 55 6.396 -0.984 -2.718 1.00 41.22 H new ATOM 0 HE2 PHE A 55 2.421 -0.011 -3.910 1.00 64.13 H new ATOM 0 HZ PHE A 55 3.997 -1.535 -2.788 1.00 72.23 H new ATOM 984 N LEU A 56 4.512 2.775 -7.909 1.00 11.02 N ATOM 985 CA LEU A 56 3.561 2.222 -8.867 1.00 1.31 C ATOM 986 C LEU A 56 4.255 1.853 -10.175 1.00 62.51 C ATOM 987 O LEU A 56 3.950 0.827 -10.778 1.00 12.21 O ATOM 988 CB LEU A 56 2.438 3.225 -9.143 1.00 10.13 C ATOM 989 CG LEU A 56 1.537 3.550 -7.947 1.00 63.51 C ATOM 990 CD1 LEU A 56 0.598 4.696 -8.289 1.00 23.22 C ATOM 991 CD2 LEU A 56 0.737 2.325 -7.529 1.00 23.04 C ATOM 0 H LEU A 56 4.347 3.754 -7.674 1.00 11.02 H new ATOM 0 HA LEU A 56 3.135 1.318 -8.433 1.00 1.31 H new ATOM 0 HB2 LEU A 56 2.883 4.152 -9.503 1.00 10.13 H new ATOM 0 HB3 LEU A 56 1.816 2.835 -9.949 1.00 10.13 H new ATOM 0 HG LEU A 56 2.171 3.851 -7.113 1.00 63.51 H new ATOM 0 HD11 LEU A 56 -0.036 4.916 -7.430 1.00 23.22 H new ATOM 0 HD12 LEU A 56 1.181 5.580 -8.545 1.00 23.22 H new ATOM 0 HD13 LEU A 56 -0.026 4.415 -9.138 1.00 23.22 H new ATOM 0 HD21 LEU A 56 0.104 2.577 -6.678 1.00 23.04 H new ATOM 0 HD22 LEU A 56 0.114 1.996 -8.361 1.00 23.04 H new ATOM 0 HD23 LEU A 56 1.420 1.523 -7.248 1.00 23.04 H new ATOM 1003 N ASN A 57 5.193 2.690 -10.603 1.00 64.34 N ATOM 1004 CA ASN A 57 5.920 2.456 -11.849 1.00 65.44 C ATOM 1005 C ASN A 57 6.668 1.129 -11.808 1.00 4.35 C ATOM 1006 O ASN A 57 6.726 0.409 -12.806 1.00 31.05 O ATOM 1007 CB ASN A 57 6.908 3.590 -12.140 1.00 22.11 C ATOM 1008 CG ASN A 57 6.230 4.902 -12.501 1.00 41.35 C ATOM 1009 OD1 ASN A 57 5.115 4.922 -13.030 1.00 34.40 O ATOM 1010 ND2 ASN A 57 6.908 6.009 -12.237 1.00 22.33 N ATOM 0 H ASN A 57 5.469 3.537 -10.107 1.00 64.34 H new ATOM 0 HA ASN A 57 5.180 2.422 -12.648 1.00 65.44 H new ATOM 0 HB2 ASN A 57 7.540 3.745 -11.266 1.00 22.11 H new ATOM 0 HB3 ASN A 57 7.563 3.291 -12.958 1.00 22.11 H new ATOM 0 HD21 ASN A 57 6.511 6.919 -12.472 1.00 22.33 H new ATOM 0 HD22 ASN A 57 7.827 5.952 -11.799 1.00 22.33 H new ATOM 1017 N GLU A 58 7.239 0.810 -10.652 1.00 73.30 N ATOM 1018 CA GLU A 58 7.953 -0.448 -10.471 1.00 63.55 C ATOM 1019 C GLU A 58 6.973 -1.611 -10.378 1.00 21.04 C ATOM 1020 O GLU A 58 7.197 -2.682 -10.947 1.00 71.12 O ATOM 1021 CB GLU A 58 8.812 -0.401 -9.207 1.00 45.32 C ATOM 1022 CG GLU A 58 9.540 -1.704 -8.919 1.00 75.21 C ATOM 1023 CD GLU A 58 10.271 -1.682 -7.597 1.00 30.42 C ATOM 1024 OE1 GLU A 58 11.439 -1.240 -7.568 1.00 54.31 O ATOM 1025 OE2 GLU A 58 9.684 -2.095 -6.574 1.00 72.02 O ATOM 0 H GLU A 58 7.221 1.407 -9.825 1.00 73.30 H new ATOM 0 HA GLU A 58 8.600 -0.596 -11.336 1.00 63.55 H new ATOM 0 HB2 GLU A 58 9.544 0.401 -9.304 1.00 45.32 H new ATOM 0 HB3 GLU A 58 8.178 -0.152 -8.356 1.00 45.32 H new ATOM 0 HG2 GLU A 58 8.822 -2.524 -8.919 1.00 75.21 H new ATOM 0 HG3 GLU A 58 10.252 -1.903 -9.720 1.00 75.21 H new ATOM 1032 N TYR A 59 5.882 -1.393 -9.663 1.00 21.43 N ATOM 1033 CA TYR A 59 4.897 -2.439 -9.451 1.00 55.15 C ATOM 1034 C TYR A 59 4.227 -2.814 -10.770 1.00 60.32 C ATOM 1035 O TYR A 59 3.893 -3.977 -10.998 1.00 45.13 O ATOM 1036 CB TYR A 59 3.857 -1.984 -8.430 1.00 63.15 C ATOM 1037 CG TYR A 59 3.142 -3.126 -7.747 1.00 70.50 C ATOM 1038 CD1 TYR A 59 3.671 -3.706 -6.602 1.00 53.43 C ATOM 1039 CD2 TYR A 59 1.943 -3.619 -8.241 1.00 72.45 C ATOM 1040 CE1 TYR A 59 3.026 -4.747 -5.967 1.00 24.23 C ATOM 1041 CE2 TYR A 59 1.290 -4.659 -7.610 1.00 22.21 C ATOM 1042 CZ TYR A 59 1.836 -5.220 -6.475 1.00 75.31 C ATOM 1043 OH TYR A 59 1.193 -6.262 -5.850 1.00 13.43 O ATOM 0 H TYR A 59 5.657 -0.502 -9.220 1.00 21.43 H new ATOM 0 HA TYR A 59 5.402 -3.322 -9.061 1.00 55.15 H new ATOM 0 HB2 TYR A 59 4.346 -1.369 -7.675 1.00 63.15 H new ATOM 0 HB3 TYR A 59 3.122 -1.352 -8.929 1.00 63.15 H new ATOM 0 HD1 TYR A 59 4.603 -3.336 -6.202 1.00 53.43 H new ATOM 0 HD2 TYR A 59 1.515 -3.183 -9.131 1.00 72.45 H new ATOM 0 HE1 TYR A 59 3.451 -5.188 -5.078 1.00 24.23 H new ATOM 0 HE2 TYR A 59 0.356 -5.031 -8.004 1.00 22.21 H new ATOM 0 HH TYR A 59 0.253 -6.026 -5.704 1.00 13.43 H new ATOM 1053 N GLY A 60 4.061 -1.825 -11.641 1.00 64.13 N ATOM 1054 CA GLY A 60 3.468 -2.060 -12.946 1.00 32.20 C ATOM 1055 C GLY A 60 4.422 -2.735 -13.913 1.00 65.20 C ATOM 1056 O GLY A 60 4.035 -3.109 -15.017 1.00 4.14 O ATOM 0 H GLY A 60 4.329 -0.857 -11.465 1.00 64.13 H new ATOM 0 HA2 GLY A 60 2.578 -2.679 -12.829 1.00 32.20 H new ATOM 0 HA3 GLY A 60 3.142 -1.109 -13.368 1.00 32.20 H new ATOM 1060 N LEU A 61 5.683 -2.860 -13.514 1.00 21.21 N ATOM 1061 CA LEU A 61 6.669 -3.586 -14.309 1.00 70.12 C ATOM 1062 C LEU A 61 6.715 -5.049 -13.898 1.00 51.25 C ATOM 1063 O LEU A 61 7.134 -5.915 -14.671 1.00 41.23 O ATOM 1064 CB LEU A 61 8.062 -2.969 -14.147 1.00 3.42 C ATOM 1065 CG LEU A 61 8.247 -1.588 -14.772 1.00 35.43 C ATOM 1066 CD1 LEU A 61 9.607 -1.016 -14.403 1.00 21.14 C ATOM 1067 CD2 LEU A 61 8.096 -1.664 -16.283 1.00 24.55 C ATOM 0 H LEU A 61 6.047 -2.469 -12.645 1.00 21.21 H new ATOM 0 HA LEU A 61 6.369 -3.515 -15.355 1.00 70.12 H new ATOM 0 HB2 LEU A 61 8.288 -2.900 -13.083 1.00 3.42 H new ATOM 0 HB3 LEU A 61 8.794 -3.648 -14.585 1.00 3.42 H new ATOM 0 HG LEU A 61 7.475 -0.926 -14.380 1.00 35.43 H new ATOM 0 HD11 LEU A 61 9.723 -0.032 -14.856 1.00 21.14 H new ATOM 0 HD12 LEU A 61 9.683 -0.928 -13.319 1.00 21.14 H new ATOM 0 HD13 LEU A 61 10.392 -1.678 -14.769 1.00 21.14 H new ATOM 0 HD21 LEU A 61 8.231 -0.671 -16.713 1.00 24.55 H new ATOM 0 HD22 LEU A 61 8.847 -2.341 -16.690 1.00 24.55 H new ATOM 0 HD23 LEU A 61 7.101 -2.035 -16.531 1.00 24.55 H new ATOM 1079 N THR A 62 6.286 -5.315 -12.674 1.00 4.32 N ATOM 1080 CA THR A 62 6.381 -6.647 -12.102 1.00 61.22 C ATOM 1081 C THR A 62 5.030 -7.360 -12.083 1.00 71.44 C ATOM 1082 O THR A 62 4.956 -8.574 -12.261 1.00 51.34 O ATOM 1083 CB THR A 62 6.945 -6.576 -10.668 1.00 31.51 C ATOM 1084 OG1 THR A 62 6.296 -5.521 -9.935 1.00 34.04 O ATOM 1085 CG2 THR A 62 8.449 -6.340 -10.685 1.00 73.14 C ATOM 0 H THR A 62 5.866 -4.621 -12.055 1.00 4.32 H new ATOM 0 HA THR A 62 7.057 -7.221 -12.736 1.00 61.22 H new ATOM 0 HB THR A 62 6.751 -7.531 -10.179 1.00 31.51 H new ATOM 0 HG1 THR A 62 5.614 -5.904 -9.345 1.00 34.04 H new ATOM 0 HG21 THR A 62 8.822 -6.294 -9.662 1.00 73.14 H new ATOM 0 HG22 THR A 62 8.940 -7.157 -11.213 1.00 73.14 H new ATOM 0 HG23 THR A 62 8.664 -5.399 -11.192 1.00 73.14 H new ATOM 1093 N HIS A 63 3.961 -6.605 -11.883 1.00 31.43 N ATOM 1094 CA HIS A 63 2.644 -7.196 -11.701 1.00 61.42 C ATOM 1095 C HIS A 63 1.665 -6.697 -12.755 1.00 53.33 C ATOM 1096 O HIS A 63 1.926 -5.710 -13.441 1.00 30.11 O ATOM 1097 CB HIS A 63 2.120 -6.885 -10.298 1.00 73.43 C ATOM 1098 CG HIS A 63 2.938 -7.503 -9.205 1.00 11.03 C ATOM 1099 ND1 HIS A 63 4.125 -6.969 -8.752 1.00 54.02 N ATOM 1100 CD2 HIS A 63 2.734 -8.625 -8.479 1.00 23.41 C ATOM 1101 CE1 HIS A 63 4.612 -7.736 -7.796 1.00 61.33 C ATOM 1102 NE2 HIS A 63 3.787 -8.749 -7.609 1.00 33.50 N ATOM 0 H HIS A 63 3.979 -5.586 -11.843 1.00 31.43 H new ATOM 0 HA HIS A 63 2.737 -8.276 -11.816 1.00 61.42 H new ATOM 0 HB2 HIS A 63 2.098 -5.804 -10.158 1.00 73.43 H new ATOM 0 HB3 HIS A 63 1.092 -7.238 -10.216 1.00 73.43 H new ATOM 0 HD2 HIS A 63 1.896 -9.300 -8.568 1.00 23.41 H new ATOM 0 HE1 HIS A 63 5.532 -7.564 -7.257 1.00 61.33 H new ATOM 0 HE2 HIS A 63 3.912 -9.500 -6.930 1.00 33.50 H new ATOM 1111 N SER A 64 0.538 -7.390 -12.871 1.00 64.30 N ATOM 1112 CA SER A 64 -0.471 -7.073 -13.872 1.00 30.21 C ATOM 1113 C SER A 64 -1.283 -5.837 -13.487 1.00 63.20 C ATOM 1114 O SER A 64 -1.150 -5.311 -12.376 1.00 23.34 O ATOM 1115 CB SER A 64 -1.395 -8.273 -14.050 1.00 14.54 C ATOM 1116 OG SER A 64 -1.861 -8.743 -12.794 1.00 75.43 O ATOM 0 H SER A 64 0.300 -8.184 -12.276 1.00 64.30 H new ATOM 0 HA SER A 64 0.036 -6.850 -14.811 1.00 30.21 H new ATOM 0 HB2 SER A 64 -2.243 -7.995 -14.676 1.00 14.54 H new ATOM 0 HB3 SER A 64 -0.865 -9.072 -14.568 1.00 14.54 H new ATOM 0 HG SER A 64 -2.453 -9.512 -12.932 1.00 75.43 H new ATOM 1122 N TYR A 65 -2.144 -5.396 -14.402 1.00 20.20 N ATOM 1123 CA TYR A 65 -2.927 -4.185 -14.207 1.00 65.51 C ATOM 1124 C TYR A 65 -3.872 -4.305 -13.021 1.00 32.52 C ATOM 1125 O TYR A 65 -3.948 -3.400 -12.195 1.00 73.20 O ATOM 1126 CB TYR A 65 -3.727 -3.843 -15.465 1.00 70.34 C ATOM 1127 CG TYR A 65 -4.666 -2.671 -15.274 1.00 31.33 C ATOM 1128 CD1 TYR A 65 -4.178 -1.372 -15.213 1.00 45.45 C ATOM 1129 CD2 TYR A 65 -6.038 -2.866 -15.151 1.00 12.42 C ATOM 1130 CE1 TYR A 65 -5.029 -0.300 -15.035 1.00 41.35 C ATOM 1131 CE2 TYR A 65 -6.895 -1.797 -14.972 1.00 63.14 C ATOM 1132 CZ TYR A 65 -6.385 -0.519 -14.915 1.00 53.33 C ATOM 1133 OH TYR A 65 -7.234 0.547 -14.745 1.00 20.30 O ATOM 0 H TYR A 65 -2.315 -5.866 -15.291 1.00 20.20 H new ATOM 0 HA TYR A 65 -2.219 -3.382 -14.001 1.00 65.51 H new ATOM 0 HB2 TYR A 65 -3.036 -3.618 -16.277 1.00 70.34 H new ATOM 0 HB3 TYR A 65 -4.304 -4.716 -15.770 1.00 70.34 H new ATOM 0 HD1 TYR A 65 -3.116 -1.198 -15.306 1.00 45.45 H new ATOM 0 HD2 TYR A 65 -6.439 -3.868 -15.196 1.00 12.42 H new ATOM 0 HE1 TYR A 65 -4.635 0.705 -14.990 1.00 41.35 H new ATOM 0 HE2 TYR A 65 -7.958 -1.963 -14.877 1.00 63.14 H new ATOM 0 HH TYR A 65 -8.157 0.223 -14.678 1.00 20.30 H new ATOM 1143 N GLU A 66 -4.599 -5.410 -12.932 1.00 42.53 N ATOM 1144 CA GLU A 66 -5.560 -5.574 -11.851 1.00 62.01 C ATOM 1145 C GLU A 66 -4.849 -5.548 -10.504 1.00 62.25 C ATOM 1146 O GLU A 66 -5.355 -4.991 -9.530 1.00 10.22 O ATOM 1147 CB GLU A 66 -6.337 -6.878 -11.987 1.00 23.22 C ATOM 1148 CG GLU A 66 -7.574 -6.899 -11.111 1.00 20.50 C ATOM 1149 CD GLU A 66 -8.025 -8.296 -10.744 1.00 33.14 C ATOM 1150 OE1 GLU A 66 -7.316 -8.961 -9.954 1.00 45.51 O ATOM 1151 OE2 GLU A 66 -9.102 -8.722 -11.208 1.00 5.40 O ATOM 0 H GLU A 66 -4.544 -6.193 -13.583 1.00 42.53 H new ATOM 0 HA GLU A 66 -6.265 -4.745 -11.911 1.00 62.01 H new ATOM 0 HB2 GLU A 66 -6.628 -7.019 -13.028 1.00 23.22 H new ATOM 0 HB3 GLU A 66 -5.690 -7.714 -11.721 1.00 23.22 H new ATOM 0 HG2 GLU A 66 -7.374 -6.338 -10.198 1.00 20.50 H new ATOM 0 HG3 GLU A 66 -8.385 -6.387 -11.628 1.00 20.50 H new ATOM 1158 N THR A 67 -3.661 -6.133 -10.473 1.00 31.54 N ATOM 1159 CA THR A 67 -2.878 -6.216 -9.255 1.00 22.52 C ATOM 1160 C THR A 67 -2.427 -4.824 -8.800 1.00 40.44 C ATOM 1161 O THR A 67 -2.567 -4.474 -7.629 1.00 53.00 O ATOM 1162 CB THR A 67 -1.658 -7.134 -9.454 1.00 30.41 C ATOM 1163 OG1 THR A 67 -2.072 -8.354 -10.091 1.00 61.14 O ATOM 1164 CG2 THR A 67 -1.004 -7.463 -8.122 1.00 15.11 C ATOM 0 H THR A 67 -3.217 -6.560 -11.286 1.00 31.54 H new ATOM 0 HA THR A 67 -3.511 -6.644 -8.477 1.00 22.52 H new ATOM 0 HB THR A 67 -0.934 -6.612 -10.080 1.00 30.41 H new ATOM 0 HG1 THR A 67 -1.915 -8.289 -11.056 1.00 61.14 H new ATOM 0 HG21 THR A 67 -0.145 -8.113 -8.289 1.00 15.11 H new ATOM 0 HG22 THR A 67 -0.674 -6.542 -7.641 1.00 15.11 H new ATOM 0 HG23 THR A 67 -1.723 -7.971 -7.479 1.00 15.11 H new ATOM 1172 N ILE A 68 -1.915 -4.020 -9.731 1.00 11.31 N ATOM 1173 CA ILE A 68 -1.484 -2.665 -9.400 1.00 15.23 C ATOM 1174 C ILE A 68 -2.693 -1.769 -9.120 1.00 21.44 C ATOM 1175 O ILE A 68 -2.637 -0.880 -8.268 1.00 22.21 O ATOM 1176 CB ILE A 68 -0.588 -2.039 -10.505 1.00 1.22 C ATOM 1177 CG1 ILE A 68 -0.093 -0.653 -10.071 1.00 5.31 C ATOM 1178 CG2 ILE A 68 -1.324 -1.945 -11.834 1.00 61.24 C ATOM 1179 CD1 ILE A 68 0.822 0.011 -11.078 1.00 34.03 C ATOM 0 H ILE A 68 -1.790 -4.280 -10.709 1.00 11.31 H new ATOM 0 HA ILE A 68 -0.876 -2.737 -8.498 1.00 15.23 H new ATOM 0 HB ILE A 68 0.272 -2.694 -10.646 1.00 1.22 H new ATOM 0 HG12 ILE A 68 -0.954 -0.008 -9.896 1.00 5.31 H new ATOM 0 HG13 ILE A 68 0.434 -0.746 -9.121 1.00 5.31 H new ATOM 0 HG21 ILE A 68 -0.667 -1.503 -12.583 1.00 61.24 H new ATOM 0 HG22 ILE A 68 -1.622 -2.943 -12.156 1.00 61.24 H new ATOM 0 HG23 ILE A 68 -2.211 -1.322 -11.716 1.00 61.24 H new ATOM 0 HD11 ILE A 68 1.131 0.986 -10.702 1.00 34.03 H new ATOM 0 HD12 ILE A 68 1.702 -0.612 -11.236 1.00 34.03 H new ATOM 0 HD13 ILE A 68 0.293 0.138 -12.022 1.00 34.03 H new ATOM 1191 N ARG A 69 -3.790 -2.018 -9.832 1.00 50.31 N ATOM 1192 CA ARG A 69 -5.026 -1.278 -9.617 1.00 21.51 C ATOM 1193 C ARG A 69 -5.528 -1.494 -8.196 1.00 74.12 C ATOM 1194 O ARG A 69 -5.929 -0.549 -7.512 1.00 21.11 O ATOM 1195 CB ARG A 69 -6.100 -1.718 -10.616 1.00 11.24 C ATOM 1196 CG ARG A 69 -7.364 -0.878 -10.548 1.00 51.52 C ATOM 1197 CD ARG A 69 -8.408 -1.355 -11.539 1.00 44.11 C ATOM 1198 NE ARG A 69 -9.495 -0.392 -11.675 1.00 31.21 N ATOM 1199 CZ ARG A 69 -10.692 -0.673 -12.186 1.00 70.32 C ATOM 1200 NH1 ARG A 69 -10.995 -1.912 -12.563 1.00 72.20 N ATOM 1201 NH2 ARG A 69 -11.588 0.295 -12.315 1.00 11.13 N ATOM 0 H ARG A 69 -3.846 -2.728 -10.563 1.00 50.31 H new ATOM 0 HA ARG A 69 -4.820 -0.218 -9.768 1.00 21.51 H new ATOM 0 HB2 ARG A 69 -5.691 -1.666 -11.625 1.00 11.24 H new ATOM 0 HB3 ARG A 69 -6.355 -2.761 -10.429 1.00 11.24 H new ATOM 0 HG2 ARG A 69 -7.774 -0.919 -9.539 1.00 51.52 H new ATOM 0 HG3 ARG A 69 -7.119 0.165 -10.751 1.00 51.52 H new ATOM 0 HD2 ARG A 69 -7.941 -1.518 -12.510 1.00 44.11 H new ATOM 0 HD3 ARG A 69 -8.809 -2.315 -11.213 1.00 44.11 H new ATOM 0 HE ARG A 69 -9.327 0.562 -11.357 1.00 31.21 H new ATOM 0 HH11 ARG A 69 -10.307 -2.658 -12.462 1.00 72.20 H new ATOM 0 HH12 ARG A 69 -11.915 -2.116 -12.953 1.00 72.20 H new ATOM 0 HH21 ARG A 69 -11.358 1.245 -12.024 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -12.508 0.090 -12.705 1.00 11.13 H new ATOM 1215 N LYS A 70 -5.497 -2.746 -7.760 1.00 43.34 N ATOM 1216 CA LYS A 70 -5.901 -3.097 -6.411 1.00 33.22 C ATOM 1217 C LYS A 70 -4.898 -2.575 -5.390 1.00 64.33 C ATOM 1218 O LYS A 70 -5.284 -2.133 -4.315 1.00 43.23 O ATOM 1219 CB LYS A 70 -6.084 -4.611 -6.294 1.00 60.41 C ATOM 1220 CG LYS A 70 -7.517 -5.054 -6.558 1.00 55.43 C ATOM 1221 CD LYS A 70 -7.597 -6.361 -7.340 1.00 2.52 C ATOM 1222 CE LYS A 70 -6.880 -7.505 -6.640 1.00 43.32 C ATOM 1223 NZ LYS A 70 -7.224 -8.820 -7.248 1.00 41.21 N ATOM 0 H LYS A 70 -5.194 -3.538 -8.327 1.00 43.34 H new ATOM 0 HA LYS A 70 -6.858 -2.622 -6.197 1.00 33.22 H new ATOM 0 HB2 LYS A 70 -5.419 -5.108 -7.000 1.00 60.41 H new ATOM 0 HB3 LYS A 70 -5.787 -4.932 -5.296 1.00 60.41 H new ATOM 0 HG2 LYS A 70 -8.037 -5.172 -5.607 1.00 55.43 H new ATOM 0 HG3 LYS A 70 -8.038 -4.273 -7.111 1.00 55.43 H new ATOM 0 HD2 LYS A 70 -8.643 -6.629 -7.487 1.00 2.52 H new ATOM 0 HD3 LYS A 70 -7.163 -6.216 -8.329 1.00 2.52 H new ATOM 0 HE2 LYS A 70 -5.803 -7.348 -6.695 1.00 43.32 H new ATOM 0 HE3 LYS A 70 -7.147 -7.511 -5.583 1.00 43.32 H new ATOM 0 HZ1 LYS A 70 -6.397 -9.450 -7.204 1.00 41.21 H new ATOM 0 HZ2 LYS A 70 -8.014 -9.249 -6.724 1.00 41.21 H new ATOM 0 HZ3 LYS A 70 -7.501 -8.682 -8.241 1.00 41.21 H new ATOM 1237 N LEU A 71 -3.615 -2.608 -5.742 1.00 24.12 N ATOM 1238 CA LEU A 71 -2.568 -2.026 -4.899 1.00 13.45 C ATOM 1239 C LEU A 71 -2.895 -0.575 -4.559 1.00 44.43 C ATOM 1240 O LEU A 71 -2.906 -0.183 -3.390 1.00 70.41 O ATOM 1241 CB LEU A 71 -1.216 -2.086 -5.613 1.00 75.21 C ATOM 1242 CG LEU A 71 -0.098 -1.281 -4.949 1.00 44.30 C ATOM 1243 CD1 LEU A 71 0.365 -1.951 -3.668 1.00 22.21 C ATOM 1244 CD2 LEU A 71 1.060 -1.088 -5.910 1.00 20.51 C ATOM 0 H LEU A 71 -3.273 -3.031 -6.605 1.00 24.12 H new ATOM 0 HA LEU A 71 -2.517 -2.605 -3.977 1.00 13.45 H new ATOM 0 HB2 LEU A 71 -0.903 -3.128 -5.679 1.00 75.21 H new ATOM 0 HB3 LEU A 71 -1.345 -1.727 -6.634 1.00 75.21 H new ATOM 0 HG LEU A 71 -0.492 -0.299 -4.688 1.00 44.30 H new ATOM 0 HD11 LEU A 71 1.160 -1.359 -3.215 1.00 22.21 H new ATOM 0 HD12 LEU A 71 -0.472 -2.026 -2.974 1.00 22.21 H new ATOM 0 HD13 LEU A 71 0.740 -2.949 -3.894 1.00 22.21 H new ATOM 0 HD21 LEU A 71 1.847 -0.513 -5.421 1.00 20.51 H new ATOM 0 HD22 LEU A 71 1.452 -2.061 -6.207 1.00 20.51 H new ATOM 0 HD23 LEU A 71 0.714 -0.551 -6.793 1.00 20.51 H new ATOM 1256 N ASN A 72 -3.160 0.209 -5.598 1.00 22.12 N ATOM 1257 CA ASN A 72 -3.541 1.613 -5.449 1.00 53.31 C ATOM 1258 C ASN A 72 -4.752 1.743 -4.531 1.00 11.20 C ATOM 1259 O ASN A 72 -4.811 2.629 -3.680 1.00 50.25 O ATOM 1260 CB ASN A 72 -3.868 2.209 -6.820 1.00 22.41 C ATOM 1261 CG ASN A 72 -4.091 3.710 -6.786 1.00 40.21 C ATOM 1262 OD1 ASN A 72 -3.442 4.437 -6.036 1.00 14.31 O ATOM 1263 ND2 ASN A 72 -5.025 4.182 -7.597 1.00 13.43 N ATOM 0 H ASN A 72 -3.118 -0.108 -6.567 1.00 22.12 H new ATOM 0 HA ASN A 72 -2.706 2.156 -5.006 1.00 53.31 H new ATOM 0 HB2 ASN A 72 -3.053 1.985 -7.509 1.00 22.41 H new ATOM 0 HB3 ASN A 72 -4.761 1.725 -7.215 1.00 22.41 H new ATOM 0 HD21 ASN A 72 -5.228 5.182 -7.614 1.00 13.43 H new ATOM 0 HD22 ASN A 72 -5.542 3.546 -8.204 1.00 13.43 H new ATOM 1270 N SER A 73 -5.708 0.836 -4.701 1.00 71.22 N ATOM 1271 CA SER A 73 -6.923 0.829 -3.897 1.00 10.44 C ATOM 1272 C SER A 73 -6.606 0.585 -2.420 1.00 22.14 C ATOM 1273 O SER A 73 -7.166 1.246 -1.544 1.00 32.51 O ATOM 1274 CB SER A 73 -7.890 -0.242 -4.419 1.00 34.53 C ATOM 1275 OG SER A 73 -9.093 -0.271 -3.669 1.00 35.50 O ATOM 0 H SER A 73 -5.663 0.090 -5.395 1.00 71.22 H new ATOM 0 HA SER A 73 -7.395 1.808 -3.981 1.00 10.44 H new ATOM 0 HB2 SER A 73 -8.119 -0.047 -5.467 1.00 34.53 H new ATOM 0 HB3 SER A 73 -7.409 -1.219 -4.374 1.00 34.53 H new ATOM 0 HG SER A 73 -9.686 -0.963 -4.029 1.00 35.50 H new ATOM 1281 N TYR A 74 -5.704 -0.354 -2.149 1.00 53.52 N ATOM 1282 CA TYR A 74 -5.329 -0.683 -0.775 1.00 73.41 C ATOM 1283 C TYR A 74 -4.685 0.522 -0.096 1.00 54.13 C ATOM 1284 O TYR A 74 -5.106 0.946 0.980 1.00 4.31 O ATOM 1285 CB TYR A 74 -4.338 -1.853 -0.729 1.00 53.32 C ATOM 1286 CG TYR A 74 -4.769 -3.101 -1.470 1.00 32.03 C ATOM 1287 CD1 TYR A 74 -6.112 -3.410 -1.664 1.00 34.15 C ATOM 1288 CD2 TYR A 74 -3.815 -3.975 -1.976 1.00 13.34 C ATOM 1289 CE1 TYR A 74 -6.487 -4.554 -2.342 1.00 3.22 C ATOM 1290 CE2 TYR A 74 -4.182 -5.119 -2.653 1.00 65.43 C ATOM 1291 CZ TYR A 74 -5.518 -5.405 -2.834 1.00 12.32 C ATOM 1292 OH TYR A 74 -5.884 -6.547 -3.507 1.00 70.21 O ATOM 0 H TYR A 74 -5.219 -0.901 -2.861 1.00 53.52 H new ATOM 0 HA TYR A 74 -6.242 -0.967 -0.252 1.00 73.41 H new ATOM 0 HB2 TYR A 74 -3.387 -1.517 -1.141 1.00 53.32 H new ATOM 0 HB3 TYR A 74 -4.159 -2.114 0.314 1.00 53.32 H new ATOM 0 HD1 TYR A 74 -6.872 -2.746 -1.279 1.00 34.15 H new ATOM 0 HD2 TYR A 74 -2.767 -3.755 -1.837 1.00 13.34 H new ATOM 0 HE1 TYR A 74 -7.533 -4.781 -2.486 1.00 3.22 H new ATOM 0 HE2 TYR A 74 -3.427 -5.787 -3.039 1.00 65.43 H new ATOM 0 HH TYR A 74 -5.109 -6.906 -3.988 1.00 70.21 H new ATOM 1302 N ILE A 75 -3.668 1.072 -0.749 1.00 25.22 N ATOM 1303 CA ILE A 75 -2.897 2.174 -0.188 1.00 75.20 C ATOM 1304 C ILE A 75 -3.752 3.432 -0.038 1.00 33.53 C ATOM 1305 O ILE A 75 -3.704 4.105 0.996 1.00 54.51 O ATOM 1306 CB ILE A 75 -1.657 2.475 -1.055 1.00 21.43 C ATOM 1307 CG1 ILE A 75 -0.737 1.250 -1.083 1.00 71.32 C ATOM 1308 CG2 ILE A 75 -0.917 3.694 -0.523 1.00 4.21 C ATOM 1309 CD1 ILE A 75 0.503 1.431 -1.930 1.00 62.00 C ATOM 0 H ILE A 75 -3.357 0.770 -1.673 1.00 25.22 H new ATOM 0 HA ILE A 75 -2.564 1.868 0.804 1.00 75.20 H new ATOM 0 HB ILE A 75 -1.979 2.696 -2.073 1.00 21.43 H new ATOM 0 HG12 ILE A 75 -0.436 1.011 -0.063 1.00 71.32 H new ATOM 0 HG13 ILE A 75 -1.299 0.395 -1.458 1.00 71.32 H new ATOM 0 HG21 ILE A 75 -0.045 3.891 -1.147 1.00 4.21 H new ATOM 0 HG22 ILE A 75 -1.580 4.559 -0.542 1.00 4.21 H new ATOM 0 HG23 ILE A 75 -0.595 3.506 0.501 1.00 4.21 H new ATOM 0 HD11 ILE A 75 1.102 0.521 -1.898 1.00 62.00 H new ATOM 0 HD12 ILE A 75 0.213 1.639 -2.960 1.00 62.00 H new ATOM 0 HD13 ILE A 75 1.089 2.264 -1.543 1.00 62.00 H new ATOM 1321 N ARG A 76 -4.542 3.739 -1.060 1.00 31.12 N ATOM 1322 CA ARG A 76 -5.413 4.902 -1.017 1.00 52.42 C ATOM 1323 C ARG A 76 -6.421 4.773 0.117 1.00 32.34 C ATOM 1324 O ARG A 76 -6.714 5.746 0.803 1.00 61.43 O ATOM 1325 CB ARG A 76 -6.139 5.088 -2.350 1.00 31.22 C ATOM 1326 CG ARG A 76 -7.025 6.322 -2.393 1.00 74.21 C ATOM 1327 CD ARG A 76 -7.611 6.534 -3.777 1.00 1.02 C ATOM 1328 NE ARG A 76 -8.398 5.386 -4.223 1.00 70.54 N ATOM 1329 CZ ARG A 76 -8.496 5.003 -5.495 1.00 73.11 C ATOM 1330 NH1 ARG A 76 -7.842 5.667 -6.444 1.00 43.21 N ATOM 1331 NH2 ARG A 76 -9.246 3.955 -5.818 1.00 72.21 N ATOM 0 H ARG A 76 -4.596 3.200 -1.924 1.00 31.12 H new ATOM 0 HA ARG A 76 -4.794 5.781 -0.837 1.00 52.42 H new ATOM 0 HB2 ARG A 76 -5.401 5.152 -3.150 1.00 31.22 H new ATOM 0 HB3 ARG A 76 -6.748 4.206 -2.548 1.00 31.22 H new ATOM 0 HG2 ARG A 76 -7.831 6.219 -1.667 1.00 74.21 H new ATOM 0 HG3 ARG A 76 -6.445 7.198 -2.103 1.00 74.21 H new ATOM 0 HD2 ARG A 76 -8.240 7.424 -3.771 1.00 1.02 H new ATOM 0 HD3 ARG A 76 -6.805 6.718 -4.487 1.00 1.02 H new ATOM 0 HE ARG A 76 -8.902 4.847 -3.519 1.00 70.54 H new ATOM 0 HH11 ARG A 76 -7.264 6.471 -6.198 1.00 43.21 H new ATOM 0 HH12 ARG A 76 -7.918 5.372 -7.418 1.00 43.21 H new ATOM 0 HH21 ARG A 76 -9.747 3.443 -5.092 1.00 72.21 H new ATOM 0 HH22 ARG A 76 -9.321 3.662 -6.792 1.00 72.21 H new ATOM 1345 N ASN A 77 -6.927 3.563 0.322 1.00 31.32 N ATOM 1346 CA ASN A 77 -7.890 3.298 1.389 1.00 3.24 C ATOM 1347 C ASN A 77 -7.235 3.522 2.753 1.00 12.22 C ATOM 1348 O ASN A 77 -7.841 4.095 3.662 1.00 11.40 O ATOM 1349 CB ASN A 77 -8.420 1.862 1.273 1.00 61.41 C ATOM 1350 CG ASN A 77 -9.651 1.595 2.125 1.00 34.44 C ATOM 1351 OD1 ASN A 77 -9.845 2.192 3.184 1.00 75.13 O ATOM 1352 ND2 ASN A 77 -10.500 0.687 1.664 1.00 73.13 N ATOM 0 H ASN A 77 -6.686 2.745 -0.238 1.00 31.32 H new ATOM 0 HA ASN A 77 -8.730 3.986 1.292 1.00 3.24 H new ATOM 0 HB2 ASN A 77 -8.659 1.655 0.230 1.00 61.41 H new ATOM 0 HB3 ASN A 77 -7.631 1.168 1.563 1.00 61.41 H new ATOM 0 HD21 ASN A 77 -11.345 0.465 2.191 1.00 73.13 H new ATOM 0 HD22 ASN A 77 -10.309 0.211 0.782 1.00 73.13 H new ATOM 1359 N ALA A 78 -5.985 3.088 2.878 1.00 11.02 N ATOM 1360 CA ALA A 78 -5.231 3.257 4.114 1.00 32.11 C ATOM 1361 C ALA A 78 -4.992 4.734 4.418 1.00 11.41 C ATOM 1362 O ALA A 78 -5.161 5.180 5.554 1.00 52.44 O ATOM 1363 CB ALA A 78 -3.909 2.507 4.035 1.00 11.12 C ATOM 0 H ALA A 78 -5.471 2.615 2.135 1.00 11.02 H new ATOM 0 HA ALA A 78 -5.822 2.840 4.929 1.00 32.11 H new ATOM 0 HB1 ALA A 78 -3.357 2.643 4.965 1.00 11.12 H new ATOM 0 HB2 ALA A 78 -4.102 1.446 3.879 1.00 11.12 H new ATOM 0 HB3 ALA A 78 -3.320 2.895 3.204 1.00 11.12 H new ATOM 1369 N PHE A 79 -4.606 5.493 3.398 1.00 14.52 N ATOM 1370 CA PHE A 79 -4.380 6.924 3.563 1.00 73.41 C ATOM 1371 C PHE A 79 -5.692 7.672 3.737 1.00 64.33 C ATOM 1372 O PHE A 79 -5.747 8.689 4.429 1.00 62.31 O ATOM 1373 CB PHE A 79 -3.590 7.493 2.386 1.00 62.14 C ATOM 1374 CG PHE A 79 -2.111 7.311 2.542 1.00 71.44 C ATOM 1375 CD1 PHE A 79 -1.440 7.952 3.569 1.00 5.33 C ATOM 1376 CD2 PHE A 79 -1.394 6.499 1.680 1.00 62.42 C ATOM 1377 CE1 PHE A 79 -0.081 7.792 3.732 1.00 33.42 C ATOM 1378 CE2 PHE A 79 -0.031 6.334 1.839 1.00 51.44 C ATOM 1379 CZ PHE A 79 0.625 6.982 2.868 1.00 62.21 C ATOM 0 H PHE A 79 -4.444 5.144 2.453 1.00 14.52 H new ATOM 0 HA PHE A 79 -3.790 7.062 4.469 1.00 73.41 H new ATOM 0 HB2 PHE A 79 -3.917 7.008 1.466 1.00 62.14 H new ATOM 0 HB3 PHE A 79 -3.813 8.555 2.283 1.00 62.14 H new ATOM 0 HD1 PHE A 79 -1.988 8.585 4.251 1.00 5.33 H new ATOM 0 HD2 PHE A 79 -1.904 5.990 0.876 1.00 62.42 H new ATOM 0 HE1 PHE A 79 0.431 8.301 4.536 1.00 33.42 H new ATOM 0 HE2 PHE A 79 0.520 5.700 1.160 1.00 51.44 H new ATOM 0 HZ PHE A 79 1.690 6.854 2.995 1.00 62.21 H new ATOM 1389 N ASP A 80 -6.743 7.165 3.105 1.00 22.34 N ATOM 1390 CA ASP A 80 -8.083 7.720 3.262 1.00 33.25 C ATOM 1391 C ASP A 80 -8.501 7.696 4.726 1.00 74.14 C ATOM 1392 O ASP A 80 -9.185 8.601 5.195 1.00 3.22 O ATOM 1393 CB ASP A 80 -9.085 6.933 2.408 1.00 72.42 C ATOM 1394 CG ASP A 80 -10.524 7.321 2.674 1.00 15.34 C ATOM 1395 OD1 ASP A 80 -10.953 8.391 2.202 1.00 43.22 O ATOM 1396 OD2 ASP A 80 -11.233 6.548 3.352 1.00 71.43 O ATOM 0 H ASP A 80 -6.693 6.365 2.474 1.00 22.34 H new ATOM 0 HA ASP A 80 -8.072 8.756 2.924 1.00 33.25 H new ATOM 0 HB2 ASP A 80 -8.860 7.094 1.354 1.00 72.42 H new ATOM 0 HB3 ASP A 80 -8.960 5.868 2.601 1.00 72.42 H new ATOM 1401 N ASP A 81 -8.071 6.668 5.450 1.00 74.43 N ATOM 1402 CA ASP A 81 -8.350 6.575 6.880 1.00 24.40 C ATOM 1403 C ASP A 81 -7.442 7.517 7.666 1.00 21.31 C ATOM 1404 O ASP A 81 -7.892 8.209 8.577 1.00 53.22 O ATOM 1405 CB ASP A 81 -8.168 5.141 7.382 1.00 2.14 C ATOM 1406 CG ASP A 81 -8.555 4.989 8.843 1.00 73.04 C ATOM 1407 OD1 ASP A 81 -9.764 4.842 9.130 1.00 15.20 O ATOM 1408 OD2 ASP A 81 -7.655 5.012 9.707 1.00 41.30 O ATOM 0 H ASP A 81 -7.530 5.890 5.073 1.00 74.43 H new ATOM 0 HA ASP A 81 -9.388 6.869 7.037 1.00 24.40 H new ATOM 0 HB2 ASP A 81 -8.773 4.467 6.776 1.00 2.14 H new ATOM 0 HB3 ASP A 81 -7.128 4.841 7.251 1.00 2.14 H new ATOM 1413 N ALA A 82 -6.166 7.555 7.284 1.00 62.41 N ATOM 1414 CA ALA A 82 -5.188 8.437 7.924 1.00 72.32 C ATOM 1415 C ALA A 82 -5.640 9.895 7.856 1.00 52.33 C ATOM 1416 O ALA A 82 -5.568 10.628 8.843 1.00 43.43 O ATOM 1417 CB ALA A 82 -3.824 8.275 7.267 1.00 35.33 C ATOM 0 H ALA A 82 -5.783 6.983 6.531 1.00 62.41 H new ATOM 0 HA ALA A 82 -5.110 8.155 8.974 1.00 72.32 H new ATOM 0 HB1 ALA A 82 -3.106 8.936 7.752 1.00 35.33 H new ATOM 0 HB2 ALA A 82 -3.492 7.242 7.368 1.00 35.33 H new ATOM 0 HB3 ALA A 82 -3.897 8.531 6.210 1.00 35.33 H new ATOM 1423 N ILE A 83 -6.122 10.305 6.692 1.00 63.44 N ATOM 1424 CA ILE A 83 -6.607 11.665 6.501 1.00 33.43 C ATOM 1425 C ILE A 83 -7.961 11.847 7.183 1.00 52.01 C ATOM 1426 O ILE A 83 -8.270 12.919 7.710 1.00 34.04 O ATOM 1427 CB ILE A 83 -6.708 12.021 4.998 1.00 34.21 C ATOM 1428 CG1 ILE A 83 -6.957 13.519 4.801 1.00 14.31 C ATOM 1429 CG2 ILE A 83 -7.797 11.210 4.307 1.00 71.20 C ATOM 1430 CD1 ILE A 83 -7.075 13.921 3.347 1.00 63.24 C ATOM 0 H ILE A 83 -6.188 9.714 5.863 1.00 63.44 H new ATOM 0 HA ILE A 83 -5.888 12.344 6.958 1.00 33.43 H new ATOM 0 HB ILE A 83 -5.752 11.767 4.540 1.00 34.21 H new ATOM 0 HG12 ILE A 83 -7.871 13.800 5.324 1.00 14.31 H new ATOM 0 HG13 ILE A 83 -6.142 14.079 5.260 1.00 14.31 H new ATOM 0 HG21 ILE A 83 -7.842 11.484 3.253 1.00 71.20 H new ATOM 0 HG22 ILE A 83 -7.571 10.147 4.396 1.00 71.20 H new ATOM 0 HG23 ILE A 83 -8.758 11.417 4.777 1.00 71.20 H new ATOM 0 HD11 ILE A 83 -7.251 14.995 3.279 1.00 63.24 H new ATOM 0 HD12 ILE A 83 -6.152 13.671 2.824 1.00 63.24 H new ATOM 0 HD13 ILE A 83 -7.908 13.387 2.888 1.00 63.24 H new ATOM 1442 N HIS A 84 -8.748 10.775 7.193 1.00 23.21 N ATOM 1443 CA HIS A 84 -10.057 10.765 7.839 1.00 43.45 C ATOM 1444 C HIS A 84 -9.894 10.978 9.334 1.00 33.31 C ATOM 1445 O HIS A 84 -10.745 11.572 9.996 1.00 34.34 O ATOM 1446 CB HIS A 84 -10.752 9.426 7.574 1.00 62.41 C ATOM 1447 CG HIS A 84 -12.193 9.394 7.962 1.00 12.34 C ATOM 1448 ND1 HIS A 84 -12.677 8.642 9.005 1.00 51.41 N ATOM 1449 CD2 HIS A 84 -13.261 10.011 7.417 1.00 74.22 C ATOM 1450 CE1 HIS A 84 -13.983 8.795 9.084 1.00 12.11 C ATOM 1451 NE2 HIS A 84 -14.366 9.621 8.129 1.00 15.30 N ATOM 0 H HIS A 84 -8.497 9.889 6.754 1.00 23.21 H new ATOM 0 HA HIS A 84 -10.667 11.571 7.430 1.00 43.45 H new ATOM 0 HB2 HIS A 84 -10.668 9.190 6.513 1.00 62.41 H new ATOM 0 HB3 HIS A 84 -10.224 8.642 8.117 1.00 62.41 H new ATOM 0 HD2 HIS A 84 -13.248 10.687 6.575 1.00 74.22 H new ATOM 0 HE1 HIS A 84 -14.631 8.324 9.808 1.00 12.11 H new ATOM 0 HE2 HIS A 84 -15.325 9.920 7.950 1.00 15.30 H new ATOM 1460 N GLU A 85 -8.781 10.490 9.852 1.00 42.45 N ATOM 1461 CA GLU A 85 -8.458 10.633 11.259 1.00 13.53 C ATOM 1462 C GLU A 85 -7.888 12.022 11.507 1.00 65.40 C ATOM 1463 O GLU A 85 -8.341 12.752 12.387 1.00 21.13 O ATOM 1464 CB GLU A 85 -7.446 9.549 11.663 1.00 42.21 C ATOM 1465 CG GLU A 85 -7.297 9.331 13.165 1.00 25.24 C ATOM 1466 CD GLU A 85 -6.603 10.468 13.886 1.00 33.55 C ATOM 1467 OE1 GLU A 85 -5.429 10.762 13.569 1.00 55.03 O ATOM 1468 OE2 GLU A 85 -7.220 11.059 14.796 1.00 45.35 O ATOM 0 H GLU A 85 -8.079 9.985 9.311 1.00 42.45 H new ATOM 0 HA GLU A 85 -9.357 10.512 11.863 1.00 13.53 H new ATOM 0 HB2 GLU A 85 -7.743 8.607 11.202 1.00 42.21 H new ATOM 0 HB3 GLU A 85 -6.472 9.812 11.251 1.00 42.21 H new ATOM 0 HG2 GLU A 85 -8.286 9.188 13.601 1.00 25.24 H new ATOM 0 HG3 GLU A 85 -6.737 8.411 13.335 1.00 25.24 H new ATOM 1475 N GLY A 86 -6.929 12.395 10.676 1.00 31.43 N ATOM 1476 CA GLY A 86 -6.178 13.614 10.893 1.00 75.30 C ATOM 1477 C GLY A 86 -4.740 13.286 11.217 1.00 2.42 C ATOM 1478 O GLY A 86 -3.972 14.131 11.675 1.00 24.13 O ATOM 0 H GLY A 86 -6.654 11.869 9.846 1.00 31.43 H new ATOM 0 HA2 GLY A 86 -6.224 14.242 10.004 1.00 75.30 H new ATOM 0 HA3 GLY A 86 -6.622 14.184 11.709 1.00 75.30 H new ATOM 1482 N TYR A 87 -4.393 12.028 10.982 1.00 20.15 N ATOM 1483 CA TYR A 87 -3.060 11.513 11.240 1.00 75.14 C ATOM 1484 C TYR A 87 -2.076 12.112 10.244 1.00 50.34 C ATOM 1485 O TYR A 87 -0.930 12.421 10.582 1.00 42.23 O ATOM 1486 CB TYR A 87 -3.093 9.989 11.122 1.00 14.23 C ATOM 1487 CG TYR A 87 -1.959 9.282 11.818 1.00 43.44 C ATOM 1488 CD1 TYR A 87 -1.627 9.587 13.131 1.00 70.14 C ATOM 1489 CD2 TYR A 87 -1.238 8.293 11.170 1.00 71.14 C ATOM 1490 CE1 TYR A 87 -0.603 8.926 13.779 1.00 3.14 C ATOM 1491 CE2 TYR A 87 -0.212 7.628 11.809 1.00 13.30 C ATOM 1492 CZ TYR A 87 0.102 7.947 13.114 1.00 4.14 C ATOM 1493 OH TYR A 87 1.123 7.285 13.754 1.00 11.54 O ATOM 0 H TYR A 87 -5.036 11.332 10.604 1.00 20.15 H new ATOM 0 HA TYR A 87 -2.736 11.788 12.244 1.00 75.14 H new ATOM 0 HB2 TYR A 87 -4.036 9.626 11.531 1.00 14.23 H new ATOM 0 HB3 TYR A 87 -3.079 9.719 10.066 1.00 14.23 H new ATOM 0 HD1 TYR A 87 -2.179 10.354 13.654 1.00 70.14 H new ATOM 0 HD2 TYR A 87 -1.483 8.039 10.149 1.00 71.14 H new ATOM 0 HE1 TYR A 87 -0.356 9.175 14.801 1.00 3.14 H new ATOM 0 HE2 TYR A 87 0.343 6.861 11.290 1.00 13.30 H new ATOM 0 HH TYR A 87 1.936 7.334 13.210 1.00 11.54 H new ATOM 1503 N VAL A 88 -2.544 12.271 9.013 1.00 60.35 N ATOM 1504 CA VAL A 88 -1.788 12.947 7.972 1.00 23.35 C ATOM 1505 C VAL A 88 -2.705 13.947 7.274 1.00 24.43 C ATOM 1506 O VAL A 88 -3.832 13.609 6.907 1.00 61.11 O ATOM 1507 CB VAL A 88 -1.202 11.956 6.937 1.00 20.14 C ATOM 1508 CG1 VAL A 88 -0.354 12.689 5.909 1.00 50.23 C ATOM 1509 CG2 VAL A 88 -0.388 10.874 7.627 1.00 24.10 C ATOM 0 H VAL A 88 -3.458 11.935 8.710 1.00 60.35 H new ATOM 0 HA VAL A 88 -0.945 13.458 8.437 1.00 23.35 H new ATOM 0 HB VAL A 88 -2.033 11.479 6.418 1.00 20.14 H new ATOM 0 HG11 VAL A 88 0.048 11.973 5.192 1.00 50.23 H new ATOM 0 HG12 VAL A 88 -0.969 13.421 5.386 1.00 50.23 H new ATOM 0 HG13 VAL A 88 0.468 13.199 6.412 1.00 50.23 H new ATOM 0 HG21 VAL A 88 0.014 10.189 6.880 1.00 24.10 H new ATOM 0 HG22 VAL A 88 0.433 11.332 8.178 1.00 24.10 H new ATOM 0 HG23 VAL A 88 -1.026 10.323 8.318 1.00 24.10 H new ATOM 1519 N ILE A 89 -2.229 15.176 7.110 1.00 53.51 N ATOM 1520 CA ILE A 89 -3.054 16.258 6.580 1.00 51.20 C ATOM 1521 C ILE A 89 -3.424 16.038 5.107 1.00 43.34 C ATOM 1522 O ILE A 89 -4.513 16.420 4.674 1.00 50.20 O ATOM 1523 CB ILE A 89 -2.359 17.632 6.755 1.00 11.12 C ATOM 1524 CG1 ILE A 89 -3.257 18.765 6.239 1.00 1.43 C ATOM 1525 CG2 ILE A 89 -1.007 17.647 6.054 1.00 70.13 C ATOM 1526 CD1 ILE A 89 -2.675 20.150 6.435 1.00 14.23 C ATOM 0 H ILE A 89 -1.273 15.450 7.337 1.00 53.51 H new ATOM 0 HA ILE A 89 -3.978 16.255 7.159 1.00 51.20 H new ATOM 0 HB ILE A 89 -2.188 17.794 7.819 1.00 11.12 H new ATOM 0 HG12 ILE A 89 -3.447 18.609 5.177 1.00 1.43 H new ATOM 0 HG13 ILE A 89 -4.220 18.711 6.747 1.00 1.43 H new ATOM 0 HG21 ILE A 89 -0.537 18.621 6.190 1.00 70.13 H new ATOM 0 HG22 ILE A 89 -0.368 16.873 6.480 1.00 70.13 H new ATOM 0 HG23 ILE A 89 -1.147 17.457 4.990 1.00 70.13 H new ATOM 0 HD11 ILE A 89 -3.369 20.895 6.045 1.00 14.23 H new ATOM 0 HD12 ILE A 89 -2.511 20.329 7.498 1.00 14.23 H new ATOM 0 HD13 ILE A 89 -1.726 20.224 5.904 1.00 14.23 H new ATOM 1538 N LYS A 90 -2.532 15.417 4.344 1.00 42.44 N ATOM 1539 CA LYS A 90 -2.773 15.204 2.924 1.00 24.12 C ATOM 1540 C LYS A 90 -2.270 13.831 2.489 1.00 53.43 C ATOM 1541 O LYS A 90 -1.208 13.380 2.920 1.00 50.11 O ATOM 1542 CB LYS A 90 -2.113 16.317 2.099 1.00 74.13 C ATOM 1543 CG LYS A 90 -0.608 16.435 2.300 1.00 70.20 C ATOM 1544 CD LYS A 90 -0.059 17.703 1.665 1.00 71.22 C ATOM 1545 CE LYS A 90 -0.632 18.945 2.329 1.00 74.31 C ATOM 1546 NZ LYS A 90 -0.024 20.196 1.805 1.00 61.34 N ATOM 0 H LYS A 90 -1.641 15.055 4.683 1.00 42.44 H new ATOM 0 HA LYS A 90 -3.848 15.237 2.747 1.00 24.12 H new ATOM 0 HB2 LYS A 90 -2.314 16.139 1.043 1.00 74.13 H new ATOM 0 HB3 LYS A 90 -2.578 17.269 2.356 1.00 74.13 H new ATOM 0 HG2 LYS A 90 -0.381 16.433 3.366 1.00 70.20 H new ATOM 0 HG3 LYS A 90 -0.113 15.566 1.867 1.00 70.20 H new ATOM 0 HD2 LYS A 90 1.028 17.712 1.747 1.00 71.22 H new ATOM 0 HD3 LYS A 90 -0.298 17.713 0.602 1.00 71.22 H new ATOM 0 HE2 LYS A 90 -1.710 18.974 2.171 1.00 74.31 H new ATOM 0 HE3 LYS A 90 -0.469 18.887 3.405 1.00 74.31 H new ATOM 0 HZ1 LYS A 90 -0.446 21.015 2.287 1.00 61.34 H new ATOM 0 HZ2 LYS A 90 1.001 20.183 1.978 1.00 61.34 H new ATOM 0 HZ3 LYS A 90 -0.202 20.267 0.783 1.00 61.34 H new ATOM 1560 N ASN A 91 -3.043 13.174 1.641 1.00 63.43 N ATOM 1561 CA ASN A 91 -2.725 11.827 1.191 1.00 11.01 C ATOM 1562 C ASN A 91 -1.960 11.855 -0.131 1.00 31.33 C ATOM 1563 O ASN A 91 -2.269 12.643 -1.026 1.00 11.44 O ATOM 1564 CB ASN A 91 -4.005 10.979 1.066 1.00 70.34 C ATOM 1565 CG ASN A 91 -5.078 11.604 0.181 1.00 12.13 C ATOM 1566 OD1 ASN A 91 -5.203 12.824 0.090 1.00 42.11 O ATOM 1567 ND2 ASN A 91 -5.872 10.765 -0.469 1.00 31.13 N ATOM 0 H ASN A 91 -3.903 13.555 1.247 1.00 63.43 H new ATOM 0 HA ASN A 91 -2.081 11.365 1.939 1.00 11.01 H new ATOM 0 HB2 ASN A 91 -3.742 10.000 0.665 1.00 70.34 H new ATOM 0 HB3 ASN A 91 -4.419 10.815 2.061 1.00 70.34 H new ATOM 0 HD21 ASN A 91 -6.615 11.126 -1.068 1.00 31.13 H new ATOM 0 HD22 ASN A 91 -5.740 9.758 -0.371 1.00 31.13 H new ATOM 1574 N PRO A 92 -0.936 10.991 -0.258 1.00 42.42 N ATOM 1575 CA PRO A 92 -0.073 10.916 -1.448 1.00 1.24 C ATOM 1576 C PRO A 92 -0.826 10.512 -2.712 1.00 64.13 C ATOM 1577 O PRO A 92 -0.352 10.740 -3.827 1.00 12.11 O ATOM 1578 CB PRO A 92 0.951 9.833 -1.088 1.00 52.10 C ATOM 1579 CG PRO A 92 0.895 9.727 0.395 1.00 73.52 C ATOM 1580 CD PRO A 92 -0.523 10.028 0.771 1.00 54.33 C ATOM 0 HA PRO A 92 0.363 11.889 -1.675 1.00 1.24 H new ATOM 0 HB2 PRO A 92 0.703 8.883 -1.561 1.00 52.10 H new ATOM 0 HB3 PRO A 92 1.950 10.107 -1.427 1.00 52.10 H new ATOM 0 HG2 PRO A 92 1.185 8.730 0.727 1.00 73.52 H new ATOM 0 HG3 PRO A 92 1.582 10.431 0.864 1.00 73.52 H new ATOM 0 HD2 PRO A 92 -1.144 9.132 0.758 1.00 54.33 H new ATOM 0 HD3 PRO A 92 -0.595 10.451 1.773 1.00 54.33 H new ATOM 1588 N THR A 93 -1.993 9.906 -2.536 1.00 34.42 N ATOM 1589 CA THR A 93 -2.835 9.523 -3.660 1.00 20.12 C ATOM 1590 C THR A 93 -3.527 10.751 -4.256 1.00 10.33 C ATOM 1591 O THR A 93 -4.740 10.930 -4.139 1.00 52.32 O ATOM 1592 CB THR A 93 -3.883 8.476 -3.234 1.00 33.41 C ATOM 1593 OG1 THR A 93 -4.553 8.910 -2.044 1.00 35.04 O ATOM 1594 CG2 THR A 93 -3.227 7.128 -2.987 1.00 40.43 C ATOM 0 H THR A 93 -2.378 9.669 -1.622 1.00 34.42 H new ATOM 0 HA THR A 93 -2.195 9.077 -4.421 1.00 20.12 H new ATOM 0 HB THR A 93 -4.608 8.369 -4.041 1.00 33.41 H new ATOM 0 HG1 THR A 93 -4.548 8.186 -1.383 1.00 35.04 H new ATOM 0 HG21 THR A 93 -3.985 6.404 -2.687 1.00 40.43 H new ATOM 0 HG22 THR A 93 -2.741 6.787 -3.901 1.00 40.43 H new ATOM 0 HG23 THR A 93 -2.484 7.224 -2.195 1.00 40.43 H new ATOM 1602 N TYR A 94 -2.723 11.605 -4.871 1.00 54.11 N ATOM 1603 CA TYR A 94 -3.195 12.861 -5.430 1.00 5.44 C ATOM 1604 C TYR A 94 -3.234 12.794 -6.955 1.00 63.25 C ATOM 1605 O TYR A 94 -4.210 13.203 -7.578 1.00 42.42 O ATOM 1606 CB TYR A 94 -2.272 13.993 -4.962 1.00 24.34 C ATOM 1607 CG TYR A 94 -2.517 15.341 -5.611 1.00 20.11 C ATOM 1608 CD1 TYR A 94 -3.458 16.222 -5.097 1.00 15.41 C ATOM 1609 CD2 TYR A 94 -1.790 15.737 -6.729 1.00 42.24 C ATOM 1610 CE1 TYR A 94 -3.671 17.457 -5.678 1.00 43.24 C ATOM 1611 CE2 TYR A 94 -1.992 16.970 -7.315 1.00 23.52 C ATOM 1612 CZ TYR A 94 -2.936 17.827 -6.785 1.00 43.25 C ATOM 1613 OH TYR A 94 -3.138 19.062 -7.356 1.00 25.24 O ATOM 0 H TYR A 94 -1.723 11.446 -4.996 1.00 54.11 H new ATOM 0 HA TYR A 94 -4.210 13.052 -5.082 1.00 5.44 H new ATOM 0 HB2 TYR A 94 -2.379 14.103 -3.883 1.00 24.34 H new ATOM 0 HB3 TYR A 94 -1.240 13.699 -5.152 1.00 24.34 H new ATOM 0 HD1 TYR A 94 -4.033 15.937 -4.228 1.00 15.41 H new ATOM 0 HD2 TYR A 94 -1.053 15.067 -7.146 1.00 42.24 H new ATOM 0 HE1 TYR A 94 -4.409 18.130 -5.267 1.00 43.24 H new ATOM 0 HE2 TYR A 94 -1.417 17.262 -8.181 1.00 23.52 H new ATOM 0 HH TYR A 94 -2.541 19.168 -8.126 1.00 25.24 H new ATOM 1623 N LYS A 95 -2.171 12.264 -7.546 1.00 14.23 N ATOM 1624 CA LYS A 95 -2.049 12.223 -9.000 1.00 55.43 C ATOM 1625 C LYS A 95 -1.570 10.850 -9.465 1.00 64.04 C ATOM 1626 O LYS A 95 -0.948 10.723 -10.520 1.00 52.32 O ATOM 1627 CB LYS A 95 -1.077 13.308 -9.476 1.00 74.55 C ATOM 1628 CG LYS A 95 0.363 13.100 -9.018 1.00 11.42 C ATOM 1629 CD LYS A 95 1.283 14.176 -9.573 1.00 71.13 C ATOM 1630 CE LYS A 95 1.163 14.282 -11.087 1.00 71.03 C ATOM 1631 NZ LYS A 95 2.146 15.236 -11.660 1.00 1.33 N ATOM 0 H LYS A 95 -1.382 11.857 -7.044 1.00 14.23 H new ATOM 0 HA LYS A 95 -3.032 12.409 -9.433 1.00 55.43 H new ATOM 0 HB2 LYS A 95 -1.098 13.347 -10.565 1.00 74.55 H new ATOM 0 HB3 LYS A 95 -1.425 14.276 -9.115 1.00 74.55 H new ATOM 0 HG2 LYS A 95 0.405 13.110 -7.929 1.00 11.42 H new ATOM 0 HG3 LYS A 95 0.711 12.119 -9.342 1.00 11.42 H new ATOM 0 HD2 LYS A 95 1.038 15.136 -9.119 1.00 71.13 H new ATOM 0 HD3 LYS A 95 2.315 13.950 -9.303 1.00 71.13 H new ATOM 0 HE2 LYS A 95 1.312 13.298 -11.532 1.00 71.03 H new ATOM 0 HE3 LYS A 95 0.154 14.601 -11.349 1.00 71.03 H new ATOM 0 HZ1 LYS A 95 2.029 15.277 -12.693 1.00 1.33 H new ATOM 0 HZ2 LYS A 95 1.988 16.181 -11.256 1.00 1.33 H new ATOM 0 HZ3 LYS A 95 3.110 14.919 -11.433 1.00 1.33 H new ATOM 1645 N ALA A 96 -1.893 9.827 -8.686 1.00 43.44 N ATOM 1646 CA ALA A 96 -1.415 8.480 -8.966 1.00 53.11 C ATOM 1647 C ALA A 96 -1.976 7.943 -10.268 1.00 12.05 C ATOM 1648 O ALA A 96 -3.170 8.067 -10.550 1.00 75.13 O ATOM 1649 CB ALA A 96 -1.781 7.530 -7.849 1.00 31.11 C ATOM 0 H ALA A 96 -2.483 9.903 -7.857 1.00 43.44 H new ATOM 0 HA ALA A 96 -0.330 8.547 -9.050 1.00 53.11 H new ATOM 0 HB1 ALA A 96 -1.412 6.532 -8.085 1.00 31.11 H new ATOM 0 HB2 ALA A 96 -1.331 7.873 -6.917 1.00 31.11 H new ATOM 0 HB3 ALA A 96 -2.865 7.499 -7.738 1.00 31.11 H new ATOM 1655 N GLU A 97 -1.107 7.344 -11.055 1.00 1.30 N ATOM 1656 CA GLU A 97 -1.523 6.673 -12.262 1.00 43.24 C ATOM 1657 C GLU A 97 -1.226 5.185 -12.174 1.00 52.14 C ATOM 1658 O GLU A 97 -0.156 4.782 -11.711 1.00 4.14 O ATOM 1659 CB GLU A 97 -0.814 7.249 -13.481 1.00 10.22 C ATOM 1660 CG GLU A 97 -1.227 6.553 -14.758 1.00 72.41 C ATOM 1661 CD GLU A 97 -0.443 7.013 -15.966 1.00 63.11 C ATOM 1662 OE1 GLU A 97 -0.703 8.130 -16.456 1.00 22.34 O ATOM 1663 OE2 GLU A 97 0.433 6.253 -16.434 1.00 3.13 O ATOM 0 H GLU A 97 -0.103 7.310 -10.876 1.00 1.30 H new ATOM 0 HA GLU A 97 -2.597 6.826 -12.369 1.00 43.24 H new ATOM 0 HB2 GLU A 97 -1.036 8.313 -13.560 1.00 10.22 H new ATOM 0 HB3 GLU A 97 0.264 7.157 -13.350 1.00 10.22 H new ATOM 0 HG2 GLU A 97 -1.097 5.478 -14.637 1.00 72.41 H new ATOM 0 HG3 GLU A 97 -2.288 6.728 -14.933 1.00 72.41 H new ATOM 1670 N LEU A 98 -2.177 4.379 -12.614 1.00 64.54 N ATOM 1671 CA LEU A 98 -1.962 2.950 -12.756 1.00 61.55 C ATOM 1672 C LEU A 98 -1.134 2.698 -14.003 1.00 52.21 C ATOM 1673 O LEU A 98 -1.660 2.685 -15.117 1.00 63.43 O ATOM 1674 CB LEU A 98 -3.300 2.221 -12.848 1.00 72.10 C ATOM 1675 CG LEU A 98 -4.222 2.436 -11.652 1.00 53.42 C ATOM 1676 CD1 LEU A 98 -5.592 1.842 -11.920 1.00 24.24 C ATOM 1677 CD2 LEU A 98 -3.613 1.832 -10.399 1.00 3.13 C ATOM 0 H LEU A 98 -3.110 4.693 -12.880 1.00 64.54 H new ATOM 0 HA LEU A 98 -1.429 2.571 -11.884 1.00 61.55 H new ATOM 0 HB2 LEU A 98 -3.816 2.547 -13.751 1.00 72.10 H new ATOM 0 HB3 LEU A 98 -3.111 1.153 -12.957 1.00 72.10 H new ATOM 0 HG LEU A 98 -4.340 3.508 -11.496 1.00 53.42 H new ATOM 0 HD11 LEU A 98 -6.235 2.006 -11.055 1.00 24.24 H new ATOM 0 HD12 LEU A 98 -6.032 2.321 -12.795 1.00 24.24 H new ATOM 0 HD13 LEU A 98 -5.495 0.772 -12.103 1.00 24.24 H new ATOM 0 HD21 LEU A 98 -4.283 1.994 -9.555 1.00 3.13 H new ATOM 0 HD22 LEU A 98 -3.466 0.762 -10.545 1.00 3.13 H new ATOM 0 HD23 LEU A 98 -2.653 2.306 -10.196 1.00 3.13 H new ATOM 1689 N HIS A 99 0.166 2.544 -13.817 1.00 42.15 N ATOM 1690 CA HIS A 99 1.082 2.452 -14.940 1.00 60.23 C ATOM 1691 C HIS A 99 1.715 1.069 -15.015 1.00 2.10 C ATOM 1692 O HIS A 99 2.757 0.820 -14.411 1.00 54.03 O ATOM 1693 CB HIS A 99 2.166 3.528 -14.816 1.00 34.42 C ATOM 1694 CG HIS A 99 2.919 3.788 -16.086 1.00 14.14 C ATOM 1695 ND1 HIS A 99 2.618 4.834 -16.932 1.00 5.21 N ATOM 1696 CD2 HIS A 99 3.967 3.142 -16.652 1.00 53.42 C ATOM 1697 CE1 HIS A 99 3.444 4.820 -17.960 1.00 44.55 C ATOM 1698 NE2 HIS A 99 4.270 3.804 -17.813 1.00 0.14 N ATOM 0 H HIS A 99 0.610 2.480 -12.901 1.00 42.15 H new ATOM 0 HA HIS A 99 0.520 2.615 -15.859 1.00 60.23 H new ATOM 0 HB2 HIS A 99 1.704 4.457 -14.484 1.00 34.42 H new ATOM 0 HB3 HIS A 99 2.873 3.229 -14.042 1.00 34.42 H new ATOM 0 HD1 HIS A 99 1.872 5.514 -16.786 1.00 5.21 H new ATOM 0 HD2 HIS A 99 4.469 2.269 -16.261 1.00 53.42 H new ATOM 0 HE1 HIS A 99 3.443 5.521 -18.781 1.00 44.55 H new ATOM 1707 N ALA A 100 1.075 0.175 -15.748 1.00 22.41 N ATOM 1708 CA ALA A 100 1.586 -1.169 -15.929 1.00 3.43 C ATOM 1709 C ALA A 100 2.174 -1.319 -17.322 1.00 40.52 C ATOM 1710 O ALA A 100 1.508 -1.051 -18.320 1.00 15.13 O ATOM 1711 CB ALA A 100 0.484 -2.190 -15.707 1.00 31.52 C ATOM 0 H ALA A 100 0.195 0.359 -16.230 1.00 22.41 H new ATOM 0 HA ALA A 100 2.372 -1.347 -15.195 1.00 3.43 H new ATOM 0 HB1 ALA A 100 0.885 -3.194 -15.847 1.00 31.52 H new ATOM 0 HB2 ALA A 100 0.096 -2.092 -14.693 1.00 31.52 H new ATOM 0 HB3 ALA A 100 -0.321 -2.018 -16.422 1.00 31.52 H new ATOM 1717 N SER A 101 3.427 -1.735 -17.390 1.00 65.11 N ATOM 1718 CA SER A 101 4.103 -1.902 -18.665 1.00 25.03 C ATOM 1719 C SER A 101 4.184 -3.381 -19.022 1.00 12.43 C ATOM 1720 O SER A 101 4.864 -3.773 -19.974 1.00 0.20 O ATOM 1721 CB SER A 101 5.502 -1.284 -18.606 1.00 41.45 C ATOM 1722 OG SER A 101 6.171 -1.393 -19.851 1.00 4.02 O ATOM 0 H SER A 101 3.997 -1.964 -16.576 1.00 65.11 H new ATOM 0 HA SER A 101 3.533 -1.389 -19.439 1.00 25.03 H new ATOM 0 HB2 SER A 101 5.425 -0.234 -18.324 1.00 41.45 H new ATOM 0 HB3 SER A 101 6.088 -1.780 -17.832 1.00 41.45 H new ATOM 0 HG SER A 101 5.895 -2.220 -20.299 1.00 4.02 H new