USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 848 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 96 HIS : no HD1:sc= -0.955 K(o=-0.94,f=-3.7!) USER MOD Set 1.2: A 99 THR OG1 : rot 21:sc= 0.0161 USER MOD Set 2.1: A 55 ASN : amide:sc= 2.03 K(o=3.8,f=-9.7!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 178:sc= 1.79 (180deg=0.547) USER MOD Set 3.1: A 42 CYS SG : rot -82:sc= 1.28 USER MOD Set 3.2: A 44 SER OG : rot -99:sc= 2.41 USER MOD Set 3.3: A 58 HIS : no HD1:sc= 1.47 K(o=5.2,f=-2.4!) USER MOD Set 4.1: A 6 TYR OH : rot 34:sc= -0.229 USER MOD Set 4.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 28 THR OG1 : rot 70:sc= 0.404 USER MOD Set 5.2: A 100 ASN : amide:sc= -1.51! K(o=-1.1!,f=0.71) USER MOD Single : A 1 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0.717 (180deg=0.164) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 15 SER OG : rot 80:sc= -0.273 USER MOD Single : A 21 ASN : amide:sc= 0.752 K(o=0.75,f=-0.7) USER MOD Single : A 24 ASN : amide:sc= 0.455 K(o=0.46,f=-0.39) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 147:sc= 0.276 USER MOD Single : A 50 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.11) USER MOD Single : A 52 LYS NZ :NH3+ -120:sc= -2.21! (180deg=-2.94!) USER MOD Single : A 59 TYR OH : rot 166:sc= 0.176 USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= -0.0144 (180deg=-0.166) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 58:sc= 1.19 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.025 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0348 K(o=-0.035,f=-3.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.21) USER MOD Single : A 82 GLN : amide:sc= -0.707 K(o=-0.71,f=-5.1!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= 0.669 USER MOD Single : A 88 SER OG : rot 38:sc= 1.3 USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= -0.0359 (180deg=-0.236) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot -26:sc= 0.0931 USER MOD Single : A 102 CYS SG : rot -43:sc= -0.014 USER MOD Single : A 104 THR OG1 : rot 45:sc= 0.019 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 106 LYS NZ :NH3+ -114:sc= 0.53 (180deg=0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.608 -4.603 -18.515 1.00 0.00 N ATOM 2 CA GLN A 1 5.330 -4.151 -17.916 1.00 0.00 C ATOM 3 C GLN A 1 5.376 -4.313 -16.398 1.00 0.00 C ATOM 4 O GLN A 1 4.545 -5.000 -15.801 1.00 0.00 O ATOM 5 CB GLN A 1 4.166 -4.956 -18.502 1.00 0.00 C ATOM 6 CG GLN A 1 2.787 -4.387 -18.199 1.00 0.00 C ATOM 7 CD GLN A 1 2.678 -2.914 -18.540 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.399 -2.550 -19.682 1.00 0.00 O ATOM 9 NE2 GLN A 1 2.857 -2.058 -17.545 1.00 0.00 N ATOM 0 H1 GLN A 1 6.567 -4.489 -19.548 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.390 -4.033 -18.135 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.765 -5.605 -18.283 1.00 0.00 H new ATOM 0 HA GLN A 1 5.181 -3.097 -18.149 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.291 -5.016 -19.583 1.00 0.00 H new ATOM 0 HB3 GLN A 1 4.217 -5.975 -18.119 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.037 -4.943 -18.761 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.563 -4.529 -17.142 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.087 -2.401 -16.612 1.00 0.00 H new ATOM 0 HE22 GLN A 1 2.764 -1.056 -17.711 1.00 0.00 H new ATOM 20 N ALA A 2 6.363 -3.682 -15.785 1.00 0.00 N ATOM 21 CA ALA A 2 6.519 -3.721 -14.342 1.00 0.00 C ATOM 22 C ALA A 2 5.800 -2.540 -13.706 1.00 0.00 C ATOM 23 O ALA A 2 6.127 -1.383 -13.976 1.00 0.00 O ATOM 24 CB ALA A 2 7.989 -3.722 -13.960 1.00 0.00 C ATOM 0 H ALA A 2 7.073 -3.133 -16.269 1.00 0.00 H new ATOM 0 HA ALA A 2 6.073 -4.643 -13.969 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.083 -3.751 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.476 -4.597 -14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.465 -2.818 -14.341 1.00 0.00 H new ATOM 30 N GLU A 3 4.817 -2.845 -12.873 1.00 0.00 N ATOM 31 CA GLU A 3 4.005 -1.821 -12.232 1.00 0.00 C ATOM 32 C GLU A 3 4.804 -1.049 -11.186 1.00 0.00 C ATOM 33 O GLU A 3 5.778 -1.554 -10.626 1.00 0.00 O ATOM 34 CB GLU A 3 2.775 -2.461 -11.592 1.00 0.00 C ATOM 35 CG GLU A 3 1.813 -3.052 -12.608 1.00 0.00 C ATOM 36 CD GLU A 3 1.370 -2.034 -13.641 1.00 0.00 C ATOM 37 OE1 GLU A 3 0.704 -1.048 -13.258 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.710 -2.203 -14.832 1.00 0.00 O ATOM 0 H GLU A 3 4.561 -3.800 -12.623 1.00 0.00 H new ATOM 0 HA GLU A 3 3.687 -1.112 -12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.096 -3.245 -10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.251 -1.712 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.291 -3.893 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.938 -3.446 -12.091 1.00 0.00 H new ATOM 45 N GLU A 4 4.375 0.185 -10.942 1.00 0.00 N ATOM 46 CA GLU A 4 5.037 1.073 -9.991 1.00 0.00 C ATOM 47 C GLU A 4 4.688 0.679 -8.559 1.00 0.00 C ATOM 48 O GLU A 4 5.540 0.649 -7.680 1.00 0.00 O ATOM 49 CB GLU A 4 4.574 2.512 -10.215 1.00 0.00 C ATOM 50 CG GLU A 4 4.498 2.925 -11.675 1.00 0.00 C ATOM 51 CD GLU A 4 3.655 4.171 -11.869 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.439 4.111 -11.600 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.194 5.214 -12.292 1.00 0.00 O ATOM 0 H GLU A 4 3.560 0.598 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 4 6.113 0.991 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.591 2.639 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.255 3.185 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.504 3.105 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.078 2.108 -12.262 1.00 0.00 H new ATOM 60 N TRP A 5 3.414 0.381 -8.357 1.00 0.00 N ATOM 61 CA TRP A 5 2.860 0.145 -7.030 1.00 0.00 C ATOM 62 C TRP A 5 3.256 -1.220 -6.471 1.00 0.00 C ATOM 63 O TRP A 5 3.507 -1.359 -5.273 1.00 0.00 O ATOM 64 CB TRP A 5 1.329 0.280 -7.086 1.00 0.00 C ATOM 65 CG TRP A 5 0.722 -0.278 -8.347 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.610 0.362 -9.553 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.145 -1.578 -8.529 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.019 -0.468 -10.472 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.280 -1.660 -9.869 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.047 -2.683 -7.696 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.885 -2.799 -10.390 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.650 -3.813 -8.216 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.061 -3.864 -9.553 1.00 0.00 C ATOM 0 H TRP A 5 2.732 0.295 -9.110 1.00 0.00 H new ATOM 0 HA TRP A 5 3.274 0.894 -6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.895 -0.231 -6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.062 1.333 -6.999 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.939 1.372 -9.751 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.167 -0.234 -11.447 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.270 -2.655 -6.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.205 -2.840 -11.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.807 -4.671 -7.580 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.526 -4.763 -9.930 1.00 0.00 H new ATOM 84 N TYR A 6 3.317 -2.219 -7.339 1.00 0.00 N ATOM 85 CA TYR A 6 3.585 -3.587 -6.920 1.00 0.00 C ATOM 86 C TYR A 6 5.086 -3.841 -6.839 1.00 0.00 C ATOM 87 O TYR A 6 5.760 -3.977 -7.861 1.00 0.00 O ATOM 88 CB TYR A 6 2.930 -4.569 -7.898 1.00 0.00 C ATOM 89 CG TYR A 6 2.769 -5.976 -7.360 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.730 -6.289 -6.493 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.646 -6.989 -7.723 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.567 -7.571 -6.005 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.492 -8.275 -7.239 1.00 0.00 C ATOM 94 CZ TYR A 6 2.452 -8.560 -6.379 1.00 0.00 C ATOM 95 OH TYR A 6 2.291 -9.842 -5.899 1.00 0.00 O ATOM 0 H TYR A 6 3.184 -2.107 -8.344 1.00 0.00 H new ATOM 0 HA TYR A 6 3.161 -3.738 -5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.948 -4.185 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.527 -4.608 -8.809 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.037 -5.516 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.462 -6.769 -8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.751 -7.797 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.182 -9.052 -7.533 1.00 0.00 H new ATOM 0 HH TYR A 6 1.336 -10.036 -5.797 1.00 0.00 H new ATOM 105 N PHE A 7 5.604 -3.897 -5.622 1.00 0.00 N ATOM 106 CA PHE A 7 7.028 -4.136 -5.407 1.00 0.00 C ATOM 107 C PHE A 7 7.325 -5.623 -5.268 1.00 0.00 C ATOM 108 O PHE A 7 8.483 -6.042 -5.278 1.00 0.00 O ATOM 109 CB PHE A 7 7.521 -3.386 -4.170 1.00 0.00 C ATOM 110 CG PHE A 7 7.847 -1.942 -4.428 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.844 -1.017 -4.655 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.164 -1.514 -4.437 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.150 0.310 -4.889 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.477 -0.191 -4.669 1.00 0.00 C ATOM 115 CZ PHE A 7 8.467 0.723 -4.897 1.00 0.00 C ATOM 0 H PHE A 7 5.062 -3.781 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 7 7.560 -3.762 -6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.758 -3.444 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.409 -3.886 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.812 -1.335 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.957 -2.226 -4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.359 1.024 -5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.508 0.129 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.707 1.760 -5.081 1.00 0.00 H new ATOM 125 N GLY A 8 6.277 -6.419 -5.125 1.00 0.00 N ATOM 126 CA GLY A 8 6.447 -7.854 -5.052 1.00 0.00 C ATOM 127 C GLY A 8 6.598 -8.352 -3.631 1.00 0.00 C ATOM 128 O GLY A 8 6.192 -7.678 -2.685 1.00 0.00 O ATOM 0 H GLY A 8 5.312 -6.097 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.589 -8.342 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.326 -8.142 -5.629 1.00 0.00 H new ATOM 132 N LYS A 9 7.188 -9.528 -3.485 1.00 0.00 N ATOM 133 CA LYS A 9 7.343 -10.175 -2.185 1.00 0.00 C ATOM 134 C LYS A 9 8.501 -9.589 -1.374 1.00 0.00 C ATOM 135 O LYS A 9 9.494 -10.271 -1.105 1.00 0.00 O ATOM 136 CB LYS A 9 7.556 -11.681 -2.377 1.00 0.00 C ATOM 137 CG LYS A 9 8.521 -12.019 -3.507 1.00 0.00 C ATOM 138 CD LYS A 9 9.014 -13.454 -3.430 1.00 0.00 C ATOM 139 CE LYS A 9 10.248 -13.581 -2.546 1.00 0.00 C ATOM 140 NZ LYS A 9 10.001 -13.141 -1.149 1.00 0.00 N ATOM 0 H LYS A 9 7.574 -10.064 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 9 6.427 -9.994 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.933 -12.108 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.594 -12.153 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.027 -11.857 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.374 -11.341 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.220 -14.091 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.247 -13.813 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.582 -14.619 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.057 -12.988 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.820 -13.389 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.859 -12.111 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.152 -13.615 -0.781 1.00 0.00 H new ATOM 154 N ILE A 10 8.370 -8.332 -0.978 1.00 0.00 N ATOM 155 CA ILE A 10 9.366 -7.696 -0.127 1.00 0.00 C ATOM 156 C ILE A 10 8.931 -7.757 1.337 1.00 0.00 C ATOM 157 O ILE A 10 7.745 -7.624 1.655 1.00 0.00 O ATOM 158 CB ILE A 10 9.624 -6.226 -0.528 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.322 -5.424 -0.522 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.283 -6.156 -1.898 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.511 -3.962 -0.854 1.00 0.00 C ATOM 0 H ILE A 10 7.585 -7.732 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 10 10.297 -8.247 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 10 10.299 -5.787 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.630 -5.865 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.858 -5.508 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.458 -5.114 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.234 -6.688 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.630 -6.616 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.546 -3.456 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.177 -3.506 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.946 -3.868 -1.849 1.00 0.00 H new ATOM 173 N THR A 11 9.892 -7.973 2.224 1.00 0.00 N ATOM 174 CA THR A 11 9.606 -8.116 3.644 1.00 0.00 C ATOM 175 C THR A 11 9.528 -6.761 4.350 1.00 0.00 C ATOM 176 O THR A 11 9.866 -5.728 3.762 1.00 0.00 O ATOM 177 CB THR A 11 10.664 -8.999 4.331 1.00 0.00 C ATOM 178 OG1 THR A 11 11.984 -8.556 3.984 1.00 0.00 O ATOM 179 CG2 THR A 11 10.493 -10.456 3.929 1.00 0.00 C ATOM 0 H THR A 11 10.880 -8.053 1.984 1.00 0.00 H new ATOM 0 HA THR A 11 8.631 -8.597 3.724 1.00 0.00 H new ATOM 0 HB THR A 11 10.528 -8.913 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.647 -9.124 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.251 -11.062 4.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.502 -10.801 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.604 -10.551 2.849 1.00 0.00 H new ATOM 187 N ARG A 12 9.076 -6.770 5.606 1.00 0.00 N ATOM 188 CA ARG A 12 8.894 -5.535 6.373 1.00 0.00 C ATOM 189 C ARG A 12 10.165 -4.706 6.412 1.00 0.00 C ATOM 190 O ARG A 12 10.140 -3.518 6.091 1.00 0.00 O ATOM 191 CB ARG A 12 8.451 -5.832 7.802 1.00 0.00 C ATOM 192 CG ARG A 12 7.009 -6.284 7.919 1.00 0.00 C ATOM 193 CD ARG A 12 6.526 -6.208 9.354 1.00 0.00 C ATOM 194 NE ARG A 12 6.624 -4.849 9.889 1.00 0.00 N ATOM 195 CZ ARG A 12 5.930 -4.404 10.939 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.110 -5.215 11.598 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.071 -3.150 11.340 1.00 0.00 N ATOM 0 H ARG A 12 8.829 -7.619 6.114 1.00 0.00 H new ATOM 0 HA ARG A 12 8.116 -4.965 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.098 -6.604 8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.591 -4.937 8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.377 -5.661 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.915 -7.307 7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.491 -6.546 9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.115 -6.885 9.972 1.00 0.00 H new ATOM 0 HE ARG A 12 7.264 -4.200 9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.007 -6.186 11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.583 -4.867 12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.709 -2.526 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.541 -2.808 12.142 1.00 0.00 H new ATOM 211 N ARG A 13 11.272 -5.343 6.785 1.00 0.00 N ATOM 212 CA ARG A 13 12.552 -4.657 6.924 1.00 0.00 C ATOM 213 C ARG A 13 12.899 -3.897 5.651 1.00 0.00 C ATOM 214 O ARG A 13 13.392 -2.773 5.707 1.00 0.00 O ATOM 215 CB ARG A 13 13.661 -5.659 7.242 1.00 0.00 C ATOM 216 CG ARG A 13 14.999 -5.004 7.550 1.00 0.00 C ATOM 217 CD ARG A 13 16.124 -6.023 7.574 1.00 0.00 C ATOM 218 NE ARG A 13 16.299 -6.661 6.270 1.00 0.00 N ATOM 219 CZ ARG A 13 17.384 -7.341 5.911 1.00 0.00 C ATOM 220 NH1 ARG A 13 18.395 -7.482 6.761 1.00 0.00 N ATOM 221 NH2 ARG A 13 17.456 -7.871 4.697 1.00 0.00 N ATOM 0 H ARG A 13 11.307 -6.340 6.998 1.00 0.00 H new ATOM 0 HA ARG A 13 12.465 -3.945 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.358 -6.266 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.783 -6.335 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.213 -4.241 6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.944 -4.498 8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.053 -5.534 7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.912 -6.783 8.326 1.00 0.00 H new ATOM 0 HE ARG A 13 15.541 -6.579 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.340 -7.068 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.226 -8.004 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.681 -7.756 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.286 -8.393 4.417 1.00 0.00 H new ATOM 235 N GLU A 14 12.619 -4.514 4.511 1.00 0.00 N ATOM 236 CA GLU A 14 12.901 -3.926 3.222 1.00 0.00 C ATOM 237 C GLU A 14 11.997 -2.717 2.982 1.00 0.00 C ATOM 238 O GLU A 14 12.469 -1.608 2.711 1.00 0.00 O ATOM 239 CB GLU A 14 12.673 -4.984 2.142 1.00 0.00 C ATOM 240 CG GLU A 14 13.211 -4.596 0.787 1.00 0.00 C ATOM 241 CD GLU A 14 14.722 -4.520 0.767 1.00 0.00 C ATOM 242 OE1 GLU A 14 15.366 -5.114 1.657 1.00 0.00 O ATOM 243 OE2 GLU A 14 15.281 -3.864 -0.136 1.00 0.00 O ATOM 0 H GLU A 14 12.189 -5.438 4.461 1.00 0.00 H new ATOM 0 HA GLU A 14 13.936 -3.585 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.142 -5.917 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.604 -5.178 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.876 -5.321 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.797 -3.630 0.498 1.00 0.00 H new ATOM 250 N SER A 15 10.694 -2.936 3.120 1.00 0.00 N ATOM 251 CA SER A 15 9.702 -1.899 2.870 1.00 0.00 C ATOM 252 C SER A 15 9.888 -0.716 3.817 1.00 0.00 C ATOM 253 O SER A 15 10.022 0.429 3.382 1.00 0.00 O ATOM 254 CB SER A 15 8.297 -2.471 3.039 1.00 0.00 C ATOM 255 OG SER A 15 8.145 -3.667 2.297 1.00 0.00 O ATOM 0 H SER A 15 10.298 -3.831 3.406 1.00 0.00 H new ATOM 0 HA SER A 15 9.835 -1.546 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.104 -2.666 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.560 -1.738 2.710 1.00 0.00 H new ATOM 0 HG SER A 15 8.541 -4.413 2.794 1.00 0.00 H new ATOM 261 N GLU A 16 9.924 -1.003 5.110 1.00 0.00 N ATOM 262 CA GLU A 16 9.966 0.038 6.124 1.00 0.00 C ATOM 263 C GLU A 16 11.303 0.771 6.107 1.00 0.00 C ATOM 264 O GLU A 16 11.384 1.926 6.516 1.00 0.00 O ATOM 265 CB GLU A 16 9.678 -0.555 7.507 1.00 0.00 C ATOM 266 CG GLU A 16 8.321 -1.238 7.592 1.00 0.00 C ATOM 267 CD GLU A 16 8.031 -1.828 8.958 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.534 -2.931 9.260 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.280 -1.200 9.734 1.00 0.00 O ATOM 0 H GLU A 16 9.925 -1.953 5.482 1.00 0.00 H new ATOM 0 HA GLU A 16 9.191 0.769 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.457 -1.275 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.726 0.238 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.543 -0.517 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.273 -2.030 6.844 1.00 0.00 H new ATOM 276 N ARG A 17 12.346 0.116 5.604 1.00 0.00 N ATOM 277 CA ARG A 17 13.651 0.759 5.482 1.00 0.00 C ATOM 278 C ARG A 17 13.556 1.941 4.527 1.00 0.00 C ATOM 279 O ARG A 17 14.177 2.981 4.739 1.00 0.00 O ATOM 280 CB ARG A 17 14.704 -0.227 4.972 1.00 0.00 C ATOM 281 CG ARG A 17 16.127 0.304 5.047 1.00 0.00 C ATOM 282 CD ARG A 17 17.120 -0.676 4.447 1.00 0.00 C ATOM 283 NE ARG A 17 17.010 -0.748 2.991 1.00 0.00 N ATOM 284 CZ ARG A 17 16.597 -1.823 2.323 1.00 0.00 C ATOM 285 NH1 ARG A 17 16.282 -2.936 2.971 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.531 -1.792 1.001 1.00 0.00 N ATOM 0 H ARG A 17 12.314 -0.850 5.277 1.00 0.00 H new ATOM 0 HA ARG A 17 13.953 1.107 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.638 -1.147 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.476 -0.485 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.189 1.256 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.389 0.498 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.132 -0.378 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.954 -1.666 4.872 1.00 0.00 H new ATOM 0 HE ARG A 17 17.266 0.079 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.355 -2.972 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.966 -3.756 2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.796 -0.946 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.215 -2.614 0.487 1.00 0.00 H new ATOM 300 N LEU A 18 12.770 1.770 3.473 1.00 0.00 N ATOM 301 CA LEU A 18 12.569 2.827 2.490 1.00 0.00 C ATOM 302 C LEU A 18 11.527 3.836 2.970 1.00 0.00 C ATOM 303 O LEU A 18 11.633 5.032 2.695 1.00 0.00 O ATOM 304 CB LEU A 18 12.124 2.223 1.154 1.00 0.00 C ATOM 305 CG LEU A 18 13.098 1.222 0.528 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.490 0.604 -0.719 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.415 1.896 0.189 1.00 0.00 C ATOM 0 H LEU A 18 12.260 0.909 3.276 1.00 0.00 H new ATOM 0 HA LEU A 18 13.517 3.348 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.165 1.727 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.958 3.034 0.445 1.00 0.00 H new ATOM 0 HG LEU A 18 13.291 0.432 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.194 -0.106 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.568 0.086 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.271 1.388 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.093 1.167 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.238 2.705 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.861 2.300 1.098 1.00 0.00 H new ATOM 319 N LEU A 19 10.533 3.352 3.706 1.00 0.00 N ATOM 320 CA LEU A 19 9.390 4.178 4.099 1.00 0.00 C ATOM 321 C LEU A 19 9.704 5.101 5.276 1.00 0.00 C ATOM 322 O LEU A 19 9.146 6.194 5.369 1.00 0.00 O ATOM 323 CB LEU A 19 8.191 3.298 4.450 1.00 0.00 C ATOM 324 CG LEU A 19 7.674 2.416 3.315 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.511 1.572 3.799 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.255 3.263 2.123 1.00 0.00 C ATOM 0 H LEU A 19 10.493 2.391 4.045 1.00 0.00 H new ATOM 0 HA LEU A 19 9.153 4.807 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.464 2.659 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.377 3.939 4.789 1.00 0.00 H new ATOM 0 HG LEU A 19 8.480 1.755 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.150 0.947 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.839 0.938 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.706 2.223 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.890 2.615 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.463 3.949 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.111 3.833 1.763 1.00 0.00 H new ATOM 338 N LEU A 20 10.586 4.670 6.173 1.00 0.00 N ATOM 339 CA LEU A 20 10.898 5.451 7.374 1.00 0.00 C ATOM 340 C LEU A 20 11.873 6.590 7.089 1.00 0.00 C ATOM 341 O LEU A 20 12.387 7.219 8.015 1.00 0.00 O ATOM 342 CB LEU A 20 11.463 4.556 8.483 1.00 0.00 C ATOM 343 CG LEU A 20 10.432 3.966 9.452 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.630 5.073 10.119 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.511 2.991 8.743 1.00 0.00 C ATOM 0 H LEU A 20 11.096 3.790 6.096 1.00 0.00 H new ATOM 0 HA LEU A 20 9.958 5.889 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.009 3.735 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.186 5.135 9.059 1.00 0.00 H new ATOM 0 HG LEU A 20 10.971 3.417 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.903 4.634 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.303 5.726 10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.108 5.653 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.790 2.588 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.981 3.507 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.099 2.176 8.322 1.00 0.00 H new ATOM 357 N ASN A 21 12.128 6.860 5.820 1.00 0.00 N ATOM 358 CA ASN A 21 12.975 7.984 5.448 1.00 0.00 C ATOM 359 C ASN A 21 12.149 9.257 5.346 1.00 0.00 C ATOM 360 O ASN A 21 11.159 9.308 4.614 1.00 0.00 O ATOM 361 CB ASN A 21 13.696 7.724 4.120 1.00 0.00 C ATOM 362 CG ASN A 21 14.913 6.828 4.274 1.00 0.00 C ATOM 363 OD1 ASN A 21 14.960 5.961 5.149 1.00 0.00 O ATOM 364 ND2 ASN A 21 15.919 7.050 3.442 1.00 0.00 N ATOM 0 H ASN A 21 11.764 6.321 5.034 1.00 0.00 H new ATOM 0 HA ASN A 21 13.728 8.104 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.000 7.265 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.004 8.676 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.771 6.494 3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.842 7.777 2.731 1.00 0.00 H new ATOM 371 N PRO A 22 12.551 10.314 6.076 1.00 0.00 N ATOM 372 CA PRO A 22 11.847 11.605 6.083 1.00 0.00 C ATOM 373 C PRO A 22 11.989 12.358 4.760 1.00 0.00 C ATOM 374 O PRO A 22 11.595 13.519 4.642 1.00 0.00 O ATOM 375 CB PRO A 22 12.524 12.388 7.222 1.00 0.00 C ATOM 376 CG PRO A 22 13.340 11.386 7.968 1.00 0.00 C ATOM 377 CD PRO A 22 13.715 10.334 6.970 1.00 0.00 C ATOM 0 HA PRO A 22 10.774 11.474 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.150 13.189 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.783 12.853 7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.228 11.849 8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.772 10.956 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.631 10.588 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.880 9.366 7.443 1.00 0.00 H new ATOM 385 N GLU A 23 12.554 11.682 3.773 1.00 0.00 N ATOM 386 CA GLU A 23 12.710 12.236 2.438 1.00 0.00 C ATOM 387 C GLU A 23 11.414 12.067 1.655 1.00 0.00 C ATOM 388 O GLU A 23 11.204 12.703 0.620 1.00 0.00 O ATOM 389 CB GLU A 23 13.848 11.515 1.710 1.00 0.00 C ATOM 390 CG GLU A 23 15.144 11.461 2.502 1.00 0.00 C ATOM 391 CD GLU A 23 16.225 10.666 1.797 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.947 11.249 0.961 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.365 9.457 2.081 1.00 0.00 O ATOM 0 H GLU A 23 12.917 10.734 3.875 1.00 0.00 H new ATOM 0 HA GLU A 23 12.947 13.297 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.532 10.498 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.034 12.016 0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.501 12.476 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.950 11.018 3.479 1.00 0.00 H new ATOM 400 N ASN A 24 10.549 11.207 2.166 1.00 0.00 N ATOM 401 CA ASN A 24 9.312 10.861 1.482 1.00 0.00 C ATOM 402 C ASN A 24 8.169 11.761 1.935 1.00 0.00 C ATOM 403 O ASN A 24 7.993 12.006 3.132 1.00 0.00 O ATOM 404 CB ASN A 24 8.959 9.398 1.756 1.00 0.00 C ATOM 405 CG ASN A 24 10.036 8.433 1.290 1.00 0.00 C ATOM 406 OD1 ASN A 24 10.734 8.677 0.304 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.184 7.335 2.011 1.00 0.00 N ATOM 0 H ASN A 24 10.681 10.732 3.059 1.00 0.00 H new ATOM 0 HA ASN A 24 9.460 11.006 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.795 9.263 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.021 9.156 1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.897 6.651 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.585 7.172 2.820 1.00 0.00 H new ATOM 414 N PRO A 25 7.392 12.287 0.976 1.00 0.00 N ATOM 415 CA PRO A 25 6.209 13.096 1.268 1.00 0.00 C ATOM 416 C PRO A 25 5.053 12.239 1.778 1.00 0.00 C ATOM 417 O PRO A 25 4.870 11.101 1.340 1.00 0.00 O ATOM 418 CB PRO A 25 5.863 13.722 -0.085 1.00 0.00 C ATOM 419 CG PRO A 25 6.405 12.773 -1.099 1.00 0.00 C ATOM 420 CD PRO A 25 7.619 12.141 -0.476 1.00 0.00 C ATOM 0 HA PRO A 25 6.391 13.832 2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.786 13.848 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.312 14.710 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.664 12.018 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.667 13.295 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.715 11.093 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.535 12.642 -0.789 1.00 0.00 H new ATOM 428 N ARG A 26 4.281 12.794 2.708 1.00 0.00 N ATOM 429 CA ARG A 26 3.157 12.084 3.313 1.00 0.00 C ATOM 430 C ARG A 26 2.215 11.521 2.252 1.00 0.00 C ATOM 431 O ARG A 26 1.567 12.267 1.517 1.00 0.00 O ATOM 432 CB ARG A 26 2.396 13.010 4.270 1.00 0.00 C ATOM 433 CG ARG A 26 1.102 12.412 4.801 1.00 0.00 C ATOM 434 CD ARG A 26 0.563 13.185 5.993 1.00 0.00 C ATOM 435 NE ARG A 26 0.349 14.607 5.706 1.00 0.00 N ATOM 436 CZ ARG A 26 0.237 15.538 6.658 1.00 0.00 C ATOM 437 NH1 ARG A 26 0.392 15.205 7.932 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.003 16.802 6.330 1.00 0.00 N ATOM 0 H ARG A 26 4.415 13.741 3.062 1.00 0.00 H new ATOM 0 HA ARG A 26 3.558 11.243 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.043 13.259 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.170 13.944 3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.355 12.403 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.274 11.375 5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.379 12.739 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.259 13.089 6.826 1.00 0.00 H new ATOM 0 HE ARG A 26 0.282 14.900 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.597 14.238 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.307 15.915 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.102 17.064 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.088 17.511 7.059 1.00 0.00 H new ATOM 452 N GLY A 27 2.145 10.197 2.186 1.00 0.00 N ATOM 453 CA GLY A 27 1.311 9.549 1.200 1.00 0.00 C ATOM 454 C GLY A 27 2.084 8.571 0.343 1.00 0.00 C ATOM 455 O GLY A 27 1.558 8.056 -0.649 1.00 0.00 O ATOM 0 H GLY A 27 2.654 9.562 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.499 9.024 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.854 10.305 0.561 1.00 0.00 H new ATOM 459 N THR A 28 3.342 8.342 0.702 1.00 0.00 N ATOM 460 CA THR A 28 4.177 7.371 0.012 1.00 0.00 C ATOM 461 C THR A 28 3.738 5.945 0.340 1.00 0.00 C ATOM 462 O THR A 28 3.810 5.517 1.487 1.00 0.00 O ATOM 463 CB THR A 28 5.658 7.554 0.394 1.00 0.00 C ATOM 464 OG1 THR A 28 6.064 8.900 0.138 1.00 0.00 O ATOM 465 CG2 THR A 28 6.539 6.611 -0.398 1.00 0.00 C ATOM 0 H THR A 28 3.807 8.821 1.473 1.00 0.00 H new ATOM 0 HA THR A 28 4.063 7.539 -1.059 1.00 0.00 H new ATOM 0 HB THR A 28 5.765 7.330 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.625 9.501 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.580 6.759 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.248 5.581 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.424 6.814 -1.463 1.00 0.00 H new ATOM 473 N PHE A 29 3.283 5.213 -0.667 1.00 0.00 N ATOM 474 CA PHE A 29 2.769 3.868 -0.459 1.00 0.00 C ATOM 475 C PHE A 29 3.462 2.866 -1.373 1.00 0.00 C ATOM 476 O PHE A 29 4.147 3.245 -2.324 1.00 0.00 O ATOM 477 CB PHE A 29 1.259 3.832 -0.721 1.00 0.00 C ATOM 478 CG PHE A 29 0.889 4.021 -2.169 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.781 5.290 -2.713 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.650 2.925 -2.987 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.444 5.462 -4.041 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.312 3.094 -4.314 1.00 0.00 C ATOM 483 CZ PHE A 29 0.210 4.364 -4.843 1.00 0.00 C ATOM 0 H PHE A 29 3.260 5.529 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 29 2.969 3.593 0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.862 2.877 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.778 4.610 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.962 6.155 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.730 1.928 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.363 6.457 -4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.127 2.232 -4.938 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.052 4.498 -5.882 1.00 0.00 H new ATOM 493 N LEU A 30 3.279 1.591 -1.065 1.00 0.00 N ATOM 494 CA LEU A 30 3.717 0.506 -1.927 1.00 0.00 C ATOM 495 C LEU A 30 3.019 -0.776 -1.495 1.00 0.00 C ATOM 496 O LEU A 30 2.791 -0.992 -0.304 1.00 0.00 O ATOM 497 CB LEU A 30 5.249 0.330 -1.890 1.00 0.00 C ATOM 498 CG LEU A 30 5.838 -0.342 -0.640 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.334 -0.550 -0.809 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.571 0.486 0.606 1.00 0.00 C ATOM 0 H LEU A 30 2.821 1.280 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 30 3.450 0.746 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.545 -0.254 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.707 1.314 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 30 5.351 -1.310 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.738 -1.027 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.517 -1.186 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.821 0.414 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.999 -0.015 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.026 1.470 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.496 0.597 0.745 1.00 0.00 H new ATOM 512 N VAL A 31 2.647 -1.611 -2.448 1.00 0.00 N ATOM 513 CA VAL A 31 1.969 -2.852 -2.121 1.00 0.00 C ATOM 514 C VAL A 31 2.899 -4.041 -2.310 1.00 0.00 C ATOM 515 O VAL A 31 3.479 -4.247 -3.381 1.00 0.00 O ATOM 516 CB VAL A 31 0.662 -3.042 -2.929 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.885 -2.812 -4.407 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.063 -4.418 -2.683 1.00 0.00 C ATOM 0 H VAL A 31 2.801 -1.455 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 31 1.686 -2.793 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.049 -2.293 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.053 -2.954 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.244 -1.795 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.625 -3.521 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.854 -4.525 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.776 -5.185 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.163 -4.532 -1.623 1.00 0.00 H new ATOM 528 N ARG A 32 3.047 -4.810 -1.246 1.00 0.00 N ATOM 529 CA ARG A 32 3.946 -5.944 -1.243 1.00 0.00 C ATOM 530 C ARG A 32 3.183 -7.253 -1.085 1.00 0.00 C ATOM 531 O ARG A 32 2.133 -7.308 -0.433 1.00 0.00 O ATOM 532 CB ARG A 32 4.975 -5.796 -0.122 1.00 0.00 C ATOM 533 CG ARG A 32 4.358 -5.611 1.251 1.00 0.00 C ATOM 534 CD ARG A 32 5.414 -5.497 2.333 1.00 0.00 C ATOM 535 NE ARG A 32 4.815 -5.403 3.662 1.00 0.00 N ATOM 536 CZ ARG A 32 5.105 -6.228 4.665 1.00 0.00 C ATOM 537 NH1 ARG A 32 6.009 -7.187 4.494 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.494 -6.086 5.841 1.00 0.00 N ATOM 0 H ARG A 32 2.550 -4.665 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 32 4.462 -5.968 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.613 -6.679 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.617 -4.942 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.738 -4.715 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.702 -6.453 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.074 -6.364 2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.031 -4.618 2.149 1.00 0.00 H new ATOM 0 HE ARG A 32 4.135 -4.662 3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.480 -7.290 3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.232 -7.820 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.805 -5.345 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.716 -6.718 6.610 1.00 0.00 H new ATOM 552 N GLU A 33 3.716 -8.295 -1.700 1.00 0.00 N ATOM 553 CA GLU A 33 3.143 -9.626 -1.616 1.00 0.00 C ATOM 554 C GLU A 33 3.516 -10.274 -0.291 1.00 0.00 C ATOM 555 O GLU A 33 4.697 -10.408 0.036 1.00 0.00 O ATOM 556 CB GLU A 33 3.643 -10.481 -2.785 1.00 0.00 C ATOM 557 CG GLU A 33 3.216 -11.937 -2.721 1.00 0.00 C ATOM 558 CD GLU A 33 3.782 -12.754 -3.863 1.00 0.00 C ATOM 559 OE1 GLU A 33 4.992 -12.631 -4.149 1.00 0.00 O ATOM 560 OE2 GLU A 33 3.022 -13.536 -4.471 1.00 0.00 O ATOM 0 H GLU A 33 4.559 -8.241 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 33 2.057 -9.551 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.280 -10.049 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.732 -10.435 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.541 -12.367 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.128 -11.995 -2.740 1.00 0.00 H new ATOM 567 N SER A 34 2.509 -10.647 0.480 1.00 0.00 N ATOM 568 CA SER A 34 2.736 -11.271 1.767 1.00 0.00 C ATOM 569 C SER A 34 2.655 -12.789 1.640 1.00 0.00 C ATOM 570 O SER A 34 1.628 -13.337 1.243 1.00 0.00 O ATOM 571 CB SER A 34 1.722 -10.748 2.777 1.00 0.00 C ATOM 572 OG SER A 34 1.764 -9.332 2.831 1.00 0.00 O ATOM 0 H SER A 34 1.526 -10.527 0.235 1.00 0.00 H new ATOM 0 HA SER A 34 3.736 -11.019 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.721 -11.078 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.934 -11.162 3.763 1.00 0.00 H new ATOM 0 HG SER A 34 1.106 -9.010 3.482 1.00 0.00 H new ATOM 578 N GLU A 35 3.749 -13.458 1.972 1.00 0.00 N ATOM 579 CA GLU A 35 3.854 -14.900 1.797 1.00 0.00 C ATOM 580 C GLU A 35 3.164 -15.644 2.940 1.00 0.00 C ATOM 581 O GLU A 35 2.763 -16.801 2.794 1.00 0.00 O ATOM 582 CB GLU A 35 5.330 -15.294 1.726 1.00 0.00 C ATOM 583 CG GLU A 35 6.139 -14.410 0.789 1.00 0.00 C ATOM 584 CD GLU A 35 7.612 -14.762 0.776 1.00 0.00 C ATOM 585 OE1 GLU A 35 8.201 -14.928 1.865 1.00 0.00 O ATOM 586 OE2 GLU A 35 8.194 -14.864 -0.322 1.00 0.00 O ATOM 0 H GLU A 35 4.582 -13.022 2.367 1.00 0.00 H new ATOM 0 HA GLU A 35 3.355 -15.178 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.762 -15.244 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.408 -16.330 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.740 -14.499 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.022 -13.368 1.088 1.00 0.00 H new ATOM 593 N THR A 36 3.020 -14.965 4.071 1.00 0.00 N ATOM 594 CA THR A 36 2.450 -15.547 5.270 1.00 0.00 C ATOM 595 C THR A 36 0.950 -15.824 5.117 1.00 0.00 C ATOM 596 O THR A 36 0.378 -16.648 5.835 1.00 0.00 O ATOM 597 CB THR A 36 2.680 -14.593 6.448 1.00 0.00 C ATOM 598 OG1 THR A 36 3.970 -13.981 6.315 1.00 0.00 O ATOM 599 CG2 THR A 36 2.614 -15.335 7.763 1.00 0.00 C ATOM 0 H THR A 36 3.298 -13.990 4.178 1.00 0.00 H new ATOM 0 HA THR A 36 2.943 -16.502 5.450 1.00 0.00 H new ATOM 0 HB THR A 36 1.899 -13.833 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.121 -13.369 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.780 -14.637 8.583 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.632 -15.796 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.382 -16.108 7.783 1.00 0.00 H new ATOM 607 N THR A 37 0.316 -15.130 4.186 1.00 0.00 N ATOM 608 CA THR A 37 -1.110 -15.295 3.949 1.00 0.00 C ATOM 609 C THR A 37 -1.443 -15.021 2.482 1.00 0.00 C ATOM 610 O THR A 37 -1.217 -13.920 1.982 1.00 0.00 O ATOM 611 CB THR A 37 -1.927 -14.356 4.865 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.661 -14.672 6.238 1.00 0.00 O ATOM 613 CG2 THR A 37 -3.423 -14.472 4.597 1.00 0.00 C ATOM 0 H THR A 37 0.767 -14.445 3.580 1.00 0.00 H new ATOM 0 HA THR A 37 -1.378 -16.326 4.182 1.00 0.00 H new ATOM 0 HB THR A 37 -1.624 -13.331 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.179 -14.075 6.817 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.965 -13.797 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.629 -14.205 3.560 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.747 -15.497 4.779 1.00 0.00 H new ATOM 621 N LYS A 38 -2.000 -16.019 1.803 1.00 0.00 N ATOM 622 CA LYS A 38 -2.291 -15.909 0.376 1.00 0.00 C ATOM 623 C LYS A 38 -3.589 -15.160 0.133 1.00 0.00 C ATOM 624 O LYS A 38 -4.141 -15.182 -0.965 1.00 0.00 O ATOM 625 CB LYS A 38 -2.380 -17.293 -0.277 1.00 0.00 C ATOM 626 CG LYS A 38 -3.617 -18.088 0.136 1.00 0.00 C ATOM 627 CD LYS A 38 -3.918 -19.203 -0.850 1.00 0.00 C ATOM 628 CE LYS A 38 -5.251 -19.874 -0.552 1.00 0.00 C ATOM 629 NZ LYS A 38 -5.233 -20.623 0.733 1.00 0.00 N ATOM 0 H LYS A 38 -2.259 -16.914 2.218 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.470 -15.351 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.380 -17.174 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.489 -17.865 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.464 -18.511 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.475 -17.419 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.932 -18.799 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.121 -19.946 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.036 -19.118 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.501 -20.557 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.162 -21.062 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.503 -21.363 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.021 -19.969 1.513 1.00 0.00 H new ATOM 643 N GLY A 39 -4.050 -14.488 1.155 1.00 0.00 N ATOM 644 CA GLY A 39 -5.317 -13.800 1.083 1.00 0.00 C ATOM 645 C GLY A 39 -5.235 -12.402 1.642 1.00 0.00 C ATOM 646 O GLY A 39 -6.245 -11.827 2.046 1.00 0.00 O ATOM 0 H GLY A 39 -3.568 -14.401 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.647 -13.756 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.069 -14.366 1.633 1.00 0.00 H new ATOM 650 N ALA A 40 -4.028 -11.856 1.670 1.00 0.00 N ATOM 651 CA ALA A 40 -3.807 -10.528 2.209 1.00 0.00 C ATOM 652 C ALA A 40 -2.559 -9.891 1.617 1.00 0.00 C ATOM 653 O ALA A 40 -1.440 -10.314 1.903 1.00 0.00 O ATOM 654 CB ALA A 40 -3.701 -10.588 3.726 1.00 0.00 C ATOM 0 H ALA A 40 -3.186 -12.316 1.324 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.660 -9.907 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.535 -9.585 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.625 -10.992 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.867 -11.230 4.007 1.00 0.00 H new ATOM 660 N TYR A 41 -2.759 -8.895 0.771 1.00 0.00 N ATOM 661 CA TYR A 41 -1.655 -8.073 0.290 1.00 0.00 C ATOM 662 C TYR A 41 -1.400 -6.950 1.281 1.00 0.00 C ATOM 663 O TYR A 41 -2.306 -6.534 1.998 1.00 0.00 O ATOM 664 CB TYR A 41 -1.957 -7.487 -1.091 1.00 0.00 C ATOM 665 CG TYR A 41 -1.725 -8.443 -2.236 1.00 0.00 C ATOM 666 CD1 TYR A 41 -0.437 -8.818 -2.595 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.786 -8.952 -2.972 1.00 0.00 C ATOM 668 CE1 TYR A 41 -0.211 -9.672 -3.653 1.00 0.00 C ATOM 669 CE2 TYR A 41 -2.568 -9.814 -4.032 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.278 -10.169 -4.368 1.00 0.00 C ATOM 671 OH TYR A 41 -1.050 -11.014 -5.432 1.00 0.00 O ATOM 0 H TYR A 41 -3.673 -8.634 0.402 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.769 -8.702 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.996 -7.157 -1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.338 -6.602 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.403 -8.434 -2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.796 -8.671 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.798 -9.950 -3.920 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.403 -10.207 -4.593 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.906 -11.277 -5.830 1.00 0.00 H new ATOM 681 N CYS A 42 -0.180 -6.461 1.340 1.00 0.00 N ATOM 682 CA CYS A 42 0.147 -5.421 2.292 1.00 0.00 C ATOM 683 C CYS A 42 0.393 -4.099 1.580 1.00 0.00 C ATOM 684 O CYS A 42 1.421 -3.915 0.926 1.00 0.00 O ATOM 685 CB CYS A 42 1.370 -5.821 3.116 1.00 0.00 C ATOM 686 SG CYS A 42 1.795 -4.648 4.428 1.00 0.00 S ATOM 0 H CYS A 42 0.594 -6.762 0.748 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.700 -5.293 2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.190 -6.799 3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.225 -5.928 2.448 1.00 0.00 H new ATOM 0 HG CYS A 42 2.488 -3.669 3.927 1.00 0.00 H new ATOM 692 N LEU A 43 -0.568 -3.195 1.694 1.00 0.00 N ATOM 693 CA LEU A 43 -0.409 -1.842 1.188 1.00 0.00 C ATOM 694 C LEU A 43 0.175 -0.998 2.309 1.00 0.00 C ATOM 695 O LEU A 43 -0.553 -0.469 3.152 1.00 0.00 O ATOM 696 CB LEU A 43 -1.762 -1.276 0.709 1.00 0.00 C ATOM 697 CG LEU A 43 -1.728 -0.014 -0.185 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.137 1.183 0.543 1.00 0.00 C ATOM 699 CD2 LEU A 43 -0.962 -0.266 -1.477 1.00 0.00 C ATOM 0 H LEU A 43 -1.470 -3.376 2.135 1.00 0.00 H new ATOM 0 HA LEU A 43 0.260 -1.832 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.282 -2.063 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.363 -1.049 1.589 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.764 0.217 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.132 2.047 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.738 1.406 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.116 0.955 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.958 0.642 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.064 -0.550 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.443 -1.070 -2.034 1.00 0.00 H new ATOM 711 N SER A 44 1.489 -0.917 2.339 1.00 0.00 N ATOM 712 CA SER A 44 2.179 -0.171 3.369 1.00 0.00 C ATOM 713 C SER A 44 2.318 1.286 2.951 1.00 0.00 C ATOM 714 O SER A 44 3.077 1.611 2.040 1.00 0.00 O ATOM 715 CB SER A 44 3.552 -0.790 3.628 1.00 0.00 C ATOM 716 OG SER A 44 3.434 -2.172 3.933 1.00 0.00 O ATOM 0 H SER A 44 2.103 -1.362 1.657 1.00 0.00 H new ATOM 0 HA SER A 44 1.600 -0.212 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.186 -0.660 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.040 -0.271 4.453 1.00 0.00 H new ATOM 0 HG SER A 44 3.475 -2.297 4.904 1.00 0.00 H new ATOM 722 N VAL A 45 1.558 2.156 3.590 1.00 0.00 N ATOM 723 CA VAL A 45 1.621 3.570 3.280 1.00 0.00 C ATOM 724 C VAL A 45 2.306 4.335 4.411 1.00 0.00 C ATOM 725 O VAL A 45 1.984 4.152 5.588 1.00 0.00 O ATOM 726 CB VAL A 45 0.216 4.158 2.993 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.719 3.961 4.175 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.312 5.629 2.617 1.00 0.00 C ATOM 0 H VAL A 45 0.893 1.909 4.323 1.00 0.00 H new ATOM 0 HA VAL A 45 2.213 3.683 2.372 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.204 3.616 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.696 4.385 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.825 2.896 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.307 4.461 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.686 6.020 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.764 6.186 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.927 5.737 1.723 1.00 0.00 H new ATOM 738 N SER A 46 3.269 5.163 4.047 1.00 0.00 N ATOM 739 CA SER A 46 3.993 5.963 5.012 1.00 0.00 C ATOM 740 C SER A 46 3.260 7.268 5.255 1.00 0.00 C ATOM 741 O SER A 46 2.967 8.030 4.326 1.00 0.00 O ATOM 742 CB SER A 46 5.422 6.223 4.533 1.00 0.00 C ATOM 743 OG SER A 46 6.159 6.985 5.474 1.00 0.00 O ATOM 0 H SER A 46 3.568 5.298 3.081 1.00 0.00 H new ATOM 0 HA SER A 46 4.049 5.415 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.926 5.272 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.396 6.749 3.579 1.00 0.00 H new ATOM 0 HG SER A 46 7.101 6.716 5.447 1.00 0.00 H new ATOM 749 N ASP A 47 2.961 7.501 6.510 1.00 0.00 N ATOM 750 CA ASP A 47 2.197 8.662 6.927 1.00 0.00 C ATOM 751 C ASP A 47 3.010 9.501 7.892 1.00 0.00 C ATOM 752 O ASP A 47 3.652 8.976 8.801 1.00 0.00 O ATOM 753 CB ASP A 47 0.879 8.221 7.573 1.00 0.00 C ATOM 754 CG ASP A 47 0.136 9.348 8.268 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.214 10.344 7.601 1.00 0.00 O ATOM 756 OD2 ASP A 47 -0.117 9.226 9.490 1.00 0.00 O ATOM 0 H ASP A 47 3.240 6.890 7.278 1.00 0.00 H new ATOM 0 HA ASP A 47 1.966 9.269 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.235 7.790 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.085 7.432 8.296 1.00 0.00 H new ATOM 761 N PHE A 48 2.989 10.799 7.680 1.00 0.00 N ATOM 762 CA PHE A 48 3.744 11.716 8.509 1.00 0.00 C ATOM 763 C PHE A 48 2.795 12.648 9.241 1.00 0.00 C ATOM 764 O PHE A 48 1.712 12.960 8.749 1.00 0.00 O ATOM 765 CB PHE A 48 4.735 12.521 7.657 1.00 0.00 C ATOM 766 CG PHE A 48 5.581 13.488 8.445 1.00 0.00 C ATOM 767 CD1 PHE A 48 6.551 13.029 9.321 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.401 14.856 8.310 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.326 13.915 10.046 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.174 15.746 9.032 1.00 0.00 C ATOM 771 CZ PHE A 48 7.137 15.275 9.900 1.00 0.00 C ATOM 0 H PHE A 48 2.454 11.246 6.936 1.00 0.00 H new ATOM 0 HA PHE A 48 4.312 11.143 9.241 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.390 11.828 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.180 13.074 6.899 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.704 11.966 9.439 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.648 15.231 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.079 13.544 10.726 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.024 16.809 8.917 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.742 15.969 10.465 1.00 0.00 H new ATOM 781 N ASP A 49 3.189 13.069 10.420 1.00 0.00 N ATOM 782 CA ASP A 49 2.416 14.029 11.179 1.00 0.00 C ATOM 783 C ASP A 49 3.357 15.000 11.862 1.00 0.00 C ATOM 784 O ASP A 49 4.454 14.625 12.272 1.00 0.00 O ATOM 785 CB ASP A 49 1.556 13.318 12.217 1.00 0.00 C ATOM 786 CG ASP A 49 0.600 14.259 12.916 1.00 0.00 C ATOM 787 OD1 ASP A 49 1.001 14.865 13.923 1.00 0.00 O ATOM 788 OD2 ASP A 49 -0.555 14.387 12.465 1.00 0.00 O ATOM 0 H ASP A 49 4.046 12.760 10.879 1.00 0.00 H new ATOM 0 HA ASP A 49 1.758 14.574 10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.990 12.523 11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.201 12.844 12.957 1.00 0.00 H new ATOM 793 N ASN A 50 2.919 16.239 11.992 1.00 0.00 N ATOM 794 CA ASN A 50 3.767 17.302 12.515 1.00 0.00 C ATOM 795 C ASN A 50 3.970 17.159 14.021 1.00 0.00 C ATOM 796 O ASN A 50 4.839 17.810 14.599 1.00 0.00 O ATOM 797 CB ASN A 50 3.166 18.677 12.195 1.00 0.00 C ATOM 798 CG ASN A 50 1.865 18.935 12.927 1.00 0.00 C ATOM 799 OD1 ASN A 50 0.793 18.560 12.459 1.00 0.00 O ATOM 800 ND2 ASN A 50 1.949 19.592 14.069 1.00 0.00 N ATOM 0 H ASN A 50 1.976 16.538 11.742 1.00 0.00 H new ATOM 0 HA ASN A 50 4.740 17.218 12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.885 19.453 12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.994 18.752 11.121 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.103 19.806 14.598 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.860 19.886 14.423 1.00 0.00 H new ATOM 807 N ALA A 51 3.158 16.319 14.653 1.00 0.00 N ATOM 808 CA ALA A 51 3.283 16.071 16.078 1.00 0.00 C ATOM 809 C ALA A 51 3.501 14.587 16.364 1.00 0.00 C ATOM 810 O ALA A 51 4.269 14.226 17.256 1.00 0.00 O ATOM 811 CB ALA A 51 2.047 16.575 16.809 1.00 0.00 C ATOM 0 H ALA A 51 2.407 15.800 14.198 1.00 0.00 H new ATOM 0 HA ALA A 51 4.156 16.614 16.441 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.152 16.383 17.877 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.937 17.646 16.642 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.165 16.057 16.433 1.00 0.00 H new ATOM 817 N LYS A 52 2.834 13.726 15.601 1.00 0.00 N ATOM 818 CA LYS A 52 2.902 12.293 15.827 1.00 0.00 C ATOM 819 C LYS A 52 4.135 11.680 15.155 1.00 0.00 C ATOM 820 O LYS A 52 4.645 10.648 15.592 1.00 0.00 O ATOM 821 CB LYS A 52 1.607 11.634 15.336 1.00 0.00 C ATOM 822 CG LYS A 52 1.680 10.123 15.251 1.00 0.00 C ATOM 823 CD LYS A 52 0.328 9.477 14.953 1.00 0.00 C ATOM 824 CE LYS A 52 -0.170 9.764 13.537 1.00 0.00 C ATOM 825 NZ LYS A 52 -0.750 11.127 13.400 1.00 0.00 N ATOM 0 H LYS A 52 2.239 14.001 14.819 1.00 0.00 H new ATOM 0 HA LYS A 52 3.003 12.109 16.897 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.793 11.911 16.006 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.359 12.032 14.352 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.390 9.842 14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.065 9.730 16.192 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.408 8.399 15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.408 9.838 15.672 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.657 9.653 12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.922 9.024 13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.744 11.053 13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.698 11.620 14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.214 11.662 12.687 1.00 0.00 H new ATOM 839 N GLY A 53 4.623 12.337 14.111 1.00 0.00 N ATOM 840 CA GLY A 53 5.812 11.864 13.424 1.00 0.00 C ATOM 841 C GLY A 53 5.502 10.864 12.327 1.00 0.00 C ATOM 842 O GLY A 53 4.352 10.745 11.895 1.00 0.00 O ATOM 0 H GLY A 53 4.217 13.190 13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.340 12.715 12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.485 11.404 14.148 1.00 0.00 H new ATOM 846 N LEU A 54 6.531 10.162 11.869 1.00 0.00 N ATOM 847 CA LEU A 54 6.380 9.148 10.832 1.00 0.00 C ATOM 848 C LEU A 54 5.775 7.866 11.387 1.00 0.00 C ATOM 849 O LEU A 54 6.117 7.425 12.488 1.00 0.00 O ATOM 850 CB LEU A 54 7.731 8.828 10.182 1.00 0.00 C ATOM 851 CG LEU A 54 8.263 9.885 9.212 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.693 9.564 8.810 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.380 9.967 7.975 1.00 0.00 C ATOM 0 H LEU A 54 7.488 10.278 12.203 1.00 0.00 H new ATOM 0 HA LEU A 54 5.704 9.557 10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.468 8.681 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.642 7.882 9.648 1.00 0.00 H new ATOM 0 HG LEU A 54 8.248 10.851 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.057 10.325 8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.325 9.547 9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.724 8.589 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.774 10.724 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.368 9.000 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.366 10.236 8.269 1.00 0.00 H new ATOM 865 N ASN A 55 4.878 7.281 10.617 1.00 0.00 N ATOM 866 CA ASN A 55 4.276 6.003 10.955 1.00 0.00 C ATOM 867 C ASN A 55 3.906 5.274 9.672 1.00 0.00 C ATOM 868 O ASN A 55 3.510 5.900 8.689 1.00 0.00 O ATOM 869 CB ASN A 55 3.037 6.197 11.844 1.00 0.00 C ATOM 870 CG ASN A 55 1.870 6.836 11.116 1.00 0.00 C ATOM 871 OD1 ASN A 55 0.987 6.148 10.603 1.00 0.00 O ATOM 872 ND2 ASN A 55 1.857 8.160 11.066 1.00 0.00 N ATOM 0 H ASN A 55 4.545 7.678 9.738 1.00 0.00 H new ATOM 0 HA ASN A 55 4.994 5.407 11.518 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.725 5.229 12.237 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.306 6.817 12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.096 8.645 10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.608 8.694 11.504 1.00 0.00 H new ATOM 879 N VAL A 56 4.065 3.966 9.663 1.00 0.00 N ATOM 880 CA VAL A 56 3.734 3.185 8.485 1.00 0.00 C ATOM 881 C VAL A 56 2.461 2.391 8.717 1.00 0.00 C ATOM 882 O VAL A 56 2.382 1.568 9.632 1.00 0.00 O ATOM 883 CB VAL A 56 4.878 2.229 8.083 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.499 1.422 6.849 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.160 3.005 7.833 1.00 0.00 C ATOM 0 H VAL A 56 4.419 3.423 10.451 1.00 0.00 H new ATOM 0 HA VAL A 56 3.582 3.888 7.666 1.00 0.00 H new ATOM 0 HB VAL A 56 5.047 1.537 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.320 0.755 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.606 0.833 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.299 2.099 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.954 2.314 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.000 3.722 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.447 3.536 8.741 1.00 0.00 H new ATOM 895 N LYS A 57 1.461 2.651 7.897 1.00 0.00 N ATOM 896 CA LYS A 57 0.195 1.955 8.007 1.00 0.00 C ATOM 897 C LYS A 57 0.185 0.757 7.066 1.00 0.00 C ATOM 898 O LYS A 57 -0.022 0.905 5.863 1.00 0.00 O ATOM 899 CB LYS A 57 -0.972 2.888 7.674 1.00 0.00 C ATOM 900 CG LYS A 57 -0.899 4.251 8.346 1.00 0.00 C ATOM 901 CD LYS A 57 -2.165 5.057 8.095 1.00 0.00 C ATOM 902 CE LYS A 57 -1.967 6.537 8.389 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.582 6.801 9.802 1.00 0.00 N ATOM 0 H LYS A 57 1.502 3.340 7.146 1.00 0.00 H new ATOM 0 HA LYS A 57 0.077 1.613 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.010 3.031 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.904 2.403 7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.753 4.123 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.035 4.799 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.475 4.932 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.971 4.669 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.197 6.934 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.888 7.074 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.428 7.821 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.342 6.480 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.706 6.287 10.025 1.00 0.00 H new ATOM 917 N HIS A 58 0.444 -0.422 7.613 1.00 0.00 N ATOM 918 CA HIS A 58 0.422 -1.650 6.828 1.00 0.00 C ATOM 919 C HIS A 58 -1.013 -2.134 6.661 1.00 0.00 C ATOM 920 O HIS A 58 -1.503 -2.932 7.463 1.00 0.00 O ATOM 921 CB HIS A 58 1.265 -2.748 7.495 1.00 0.00 C ATOM 922 CG HIS A 58 2.726 -2.426 7.624 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.649 -2.881 6.709 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.375 -1.722 8.586 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.825 -2.451 7.133 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.708 -1.744 8.265 1.00 0.00 N ATOM 0 H HIS A 58 0.672 -0.555 8.598 1.00 0.00 H new ATOM 0 HA HIS A 58 0.851 -1.435 5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.861 -2.944 8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.159 -3.668 6.920 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.927 -1.237 9.441 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.761 -2.645 6.631 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.466 -1.306 8.788 1.00 0.00 H new ATOM 934 N TYR A 59 -1.691 -1.633 5.637 1.00 0.00 N ATOM 935 CA TYR A 59 -3.076 -2.009 5.388 1.00 0.00 C ATOM 936 C TYR A 59 -3.159 -3.399 4.780 1.00 0.00 C ATOM 937 O TYR A 59 -2.328 -3.783 3.954 1.00 0.00 O ATOM 938 CB TYR A 59 -3.765 -0.993 4.476 1.00 0.00 C ATOM 939 CG TYR A 59 -4.219 0.255 5.199 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.484 0.323 5.770 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.389 1.358 5.315 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.909 1.457 6.434 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.806 2.498 5.976 1.00 0.00 C ATOM 944 CZ TYR A 59 -5.065 2.542 6.537 1.00 0.00 C ATOM 945 OH TYR A 59 -5.487 3.680 7.192 1.00 0.00 O ATOM 0 H TYR A 59 -1.306 -0.967 4.967 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.594 -2.018 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.080 -0.711 3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.628 -1.465 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.147 -0.526 5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.400 1.327 4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.896 1.493 6.870 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.148 3.351 6.053 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.716 4.255 7.378 1.00 0.00 H new ATOM 955 N LYS A 60 -4.169 -4.147 5.195 1.00 0.00 N ATOM 956 CA LYS A 60 -4.336 -5.520 4.755 1.00 0.00 C ATOM 957 C LYS A 60 -5.353 -5.605 3.621 1.00 0.00 C ATOM 958 O LYS A 60 -6.551 -5.399 3.818 1.00 0.00 O ATOM 959 CB LYS A 60 -4.751 -6.410 5.935 1.00 0.00 C ATOM 960 CG LYS A 60 -5.912 -5.861 6.755 1.00 0.00 C ATOM 961 CD LYS A 60 -6.256 -6.772 7.926 1.00 0.00 C ATOM 962 CE LYS A 60 -5.123 -6.855 8.941 1.00 0.00 C ATOM 963 NZ LYS A 60 -4.827 -5.538 9.565 1.00 0.00 N ATOM 0 H LYS A 60 -4.889 -3.822 5.840 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.381 -5.881 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.023 -7.394 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.891 -6.548 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.657 -4.869 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.787 -5.745 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.156 -6.404 8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.482 -7.771 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.387 -7.572 9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.226 -7.232 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.187 -5.673 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.374 -4.916 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.713 -5.103 9.894 1.00 0.00 H new ATOM 977 N ILE A 61 -4.859 -5.888 2.428 1.00 0.00 N ATOM 978 CA ILE A 61 -5.709 -6.056 1.266 1.00 0.00 C ATOM 979 C ILE A 61 -6.239 -7.479 1.227 1.00 0.00 C ATOM 980 O ILE A 61 -5.587 -8.386 0.697 1.00 0.00 O ATOM 981 CB ILE A 61 -4.948 -5.757 -0.043 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.299 -4.370 0.024 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.887 -5.856 -1.241 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.483 -4.013 -1.200 1.00 0.00 C ATOM 0 H ILE A 61 -3.864 -6.007 2.240 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.534 -5.348 1.347 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.160 -6.500 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.079 -3.621 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.656 -4.323 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.334 -5.642 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.303 -6.862 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.696 -5.134 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.057 -3.017 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.679 -4.738 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.124 -4.026 -2.081 1.00 0.00 H new ATOM 996 N ARG A 62 -7.405 -7.678 1.817 1.00 0.00 N ATOM 997 CA ARG A 62 -8.016 -8.992 1.878 1.00 0.00 C ATOM 998 C ARG A 62 -8.625 -9.337 0.531 1.00 0.00 C ATOM 999 O ARG A 62 -9.101 -8.458 -0.184 1.00 0.00 O ATOM 1000 CB ARG A 62 -9.092 -9.037 2.965 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.603 -8.581 4.331 1.00 0.00 C ATOM 1002 CD ARG A 62 -9.662 -8.795 5.398 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.964 -10.212 5.588 1.00 0.00 N ATOM 1004 CZ ARG A 62 -10.357 -10.743 6.742 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.530 -9.967 7.805 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -10.584 -12.047 6.827 1.00 0.00 N ATOM 0 H ARG A 62 -7.950 -6.940 2.263 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.246 -9.723 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.929 -8.409 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.471 -10.056 3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.700 -9.130 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.334 -7.525 4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.320 -8.367 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.572 -8.264 5.118 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.867 -10.833 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.361 -8.963 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.831 -10.374 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.457 -12.641 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.885 -12.456 7.712 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.604 -10.605 0.176 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.154 -11.025 -1.094 1.00 0.00 C ATOM 1022 C LYS A 63 -10.421 -11.842 -0.885 1.00 0.00 C ATOM 1023 O LYS A 63 -10.569 -12.543 0.113 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.127 -11.846 -1.884 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.846 -13.217 -1.291 1.00 0.00 C ATOM 1026 CD LYS A 63 -6.811 -13.990 -2.097 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.247 -14.207 -3.537 1.00 0.00 C ATOM 1028 NZ LYS A 63 -6.341 -15.146 -4.250 1.00 0.00 N ATOM 0 H LYS A 63 -8.215 -11.357 0.745 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.403 -10.131 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.484 -11.970 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.193 -11.286 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.494 -13.103 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.773 -13.790 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.865 -13.449 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.633 -14.956 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.264 -14.599 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.265 -13.251 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.670 -15.270 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.375 -14.760 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.343 -16.066 -3.765 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.329 -11.739 -1.835 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.526 -12.564 -1.859 1.00 0.00 C ATOM 1044 C LEU A 64 -12.254 -13.835 -2.639 1.00 0.00 C ATOM 1045 O LEU A 64 -13.166 -14.422 -3.226 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.678 -11.810 -2.515 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.320 -10.717 -1.663 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.336 -9.938 -2.480 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.982 -11.323 -0.435 1.00 0.00 C ATOM 0 H LEU A 64 -11.260 -11.082 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.799 -12.811 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.315 -11.360 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.448 -12.529 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.540 -10.031 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.785 -9.163 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.840 -9.477 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.114 -10.615 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.435 -10.532 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.752 -12.028 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.234 -11.845 0.162 1.00 0.00 H new ATOM 1061 N ASP A 65 -10.981 -14.228 -2.646 1.00 0.00 N ATOM 1062 CA ASP A 65 -10.482 -15.353 -3.436 1.00 0.00 C ATOM 1063 C ASP A 65 -10.635 -15.079 -4.930 1.00 0.00 C ATOM 1064 O ASP A 65 -9.649 -14.909 -5.646 1.00 0.00 O ATOM 1065 CB ASP A 65 -11.188 -16.659 -3.058 1.00 0.00 C ATOM 1066 CG ASP A 65 -10.584 -17.865 -3.752 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -10.894 -18.095 -4.940 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -9.801 -18.596 -3.106 1.00 0.00 O ATOM 0 H ASP A 65 -10.257 -13.767 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.422 -15.466 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.133 -16.799 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.244 -16.586 -3.317 1.00 0.00 H new ATOM 1073 N SER A 66 -11.874 -14.999 -5.387 1.00 0.00 N ATOM 1074 CA SER A 66 -12.158 -14.800 -6.795 1.00 0.00 C ATOM 1075 C SER A 66 -13.052 -13.581 -7.009 1.00 0.00 C ATOM 1076 O SER A 66 -13.223 -13.118 -8.135 1.00 0.00 O ATOM 1077 CB SER A 66 -12.824 -16.052 -7.374 1.00 0.00 C ATOM 1078 OG SER A 66 -11.979 -17.188 -7.248 1.00 0.00 O ATOM 0 H SER A 66 -12.703 -15.070 -4.797 1.00 0.00 H new ATOM 0 HA SER A 66 -11.216 -14.621 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.766 -16.237 -6.859 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.062 -15.887 -8.425 1.00 0.00 H new ATOM 0 HG SER A 66 -11.759 -17.329 -6.303 1.00 0.00 H new ATOM 1084 N GLY A 67 -13.614 -13.060 -5.921 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.507 -11.920 -6.018 1.00 0.00 C ATOM 1086 C GLY A 67 -13.767 -10.603 -6.166 1.00 0.00 C ATOM 1087 O GLY A 67 -14.352 -9.597 -6.572 1.00 0.00 O ATOM 0 H GLY A 67 -13.466 -13.408 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.171 -12.056 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.136 -11.880 -5.128 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.486 -10.604 -5.820 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.681 -9.406 -5.942 1.00 0.00 C ATOM 1093 C GLY A 68 -10.818 -9.171 -4.720 1.00 0.00 C ATOM 1094 O GLY A 68 -10.705 -10.043 -3.857 1.00 0.00 O ATOM 0 H GLY A 68 -11.989 -11.417 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.045 -9.485 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.333 -8.546 -6.095 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.202 -8.003 -4.662 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.365 -7.617 -3.537 1.00 0.00 C ATOM 1100 C PHE A 69 -9.920 -6.350 -2.896 1.00 0.00 C ATOM 1101 O PHE A 69 -10.342 -5.431 -3.602 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.927 -7.362 -4.003 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.298 -8.515 -4.735 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.675 -9.535 -4.038 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.328 -8.575 -6.121 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.093 -10.595 -4.706 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.747 -9.631 -6.795 1.00 0.00 C ATOM 1108 CZ PHE A 69 -6.128 -10.643 -6.087 1.00 0.00 C ATOM 0 H PHE A 69 -10.267 -7.295 -5.393 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.363 -8.428 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.918 -6.487 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.314 -7.121 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.643 -9.502 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.811 -7.787 -6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.611 -11.385 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.776 -9.666 -7.874 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.672 -11.470 -6.611 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.927 -6.298 -1.570 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.468 -5.146 -0.865 1.00 0.00 C ATOM 1120 C TYR A 70 -9.670 -4.836 0.399 1.00 0.00 C ATOM 1121 O TYR A 70 -9.386 -5.718 1.210 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.950 -5.369 -0.520 1.00 0.00 C ATOM 1123 CG TYR A 70 -12.230 -6.536 0.409 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -12.279 -7.841 -0.067 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.467 -6.326 1.763 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.554 -8.899 0.779 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.738 -7.380 2.614 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.782 -8.662 2.118 1.00 0.00 C ATOM 1129 OH TYR A 70 -13.060 -9.716 2.962 1.00 0.00 O ATOM 0 H TYR A 70 -9.566 -7.036 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.387 -4.286 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.341 -4.460 -0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.503 -5.523 -1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.099 -8.031 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.439 -5.321 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.590 -9.907 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.914 -7.198 3.664 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.194 -9.379 3.873 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.293 -3.572 0.537 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.649 -3.089 1.749 1.00 0.00 C ATOM 1141 C ILE A 71 -9.704 -2.882 2.826 1.00 0.00 C ATOM 1142 O ILE A 71 -9.519 -3.242 3.989 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.904 -1.759 1.493 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.802 -1.964 0.450 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.331 -1.201 2.790 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.031 -0.707 0.112 1.00 0.00 C ATOM 0 H ILE A 71 -9.424 -2.859 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.919 -3.831 2.074 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.616 -1.031 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.105 -2.718 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.249 -2.360 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.811 -0.265 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.141 -1.019 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.631 -1.919 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.269 -0.937 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.714 0.043 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.553 -0.320 1.012 1.00 0.00 H new ATOM 1158 N THR A 72 -10.818 -2.308 2.408 1.00 0.00 N ATOM 1159 CA THR A 72 -11.967 -2.130 3.267 1.00 0.00 C ATOM 1160 C THR A 72 -13.127 -2.957 2.727 1.00 0.00 C ATOM 1161 O THR A 72 -13.213 -3.192 1.520 1.00 0.00 O ATOM 1162 CB THR A 72 -12.369 -0.640 3.366 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.622 -0.499 4.047 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.458 0.000 1.988 1.00 0.00 C ATOM 0 H THR A 72 -10.948 -1.953 1.461 1.00 0.00 H new ATOM 0 HA THR A 72 -11.710 -2.468 4.271 1.00 0.00 H new ATOM 0 HB THR A 72 -11.594 -0.128 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.860 0.450 4.102 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.743 1.047 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.489 -0.066 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.206 -0.522 1.392 1.00 0.00 H new ATOM 1172 N SER A 73 -14.013 -3.391 3.614 1.00 0.00 N ATOM 1173 CA SER A 73 -15.114 -4.276 3.248 1.00 0.00 C ATOM 1174 C SER A 73 -16.234 -3.529 2.522 1.00 0.00 C ATOM 1175 O SER A 73 -17.377 -3.985 2.482 1.00 0.00 O ATOM 1176 CB SER A 73 -15.654 -4.960 4.506 1.00 0.00 C ATOM 1177 OG SER A 73 -15.860 -4.018 5.549 1.00 0.00 O ATOM 0 H SER A 73 -13.990 -3.142 4.603 1.00 0.00 H new ATOM 0 HA SER A 73 -14.731 -5.026 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.593 -5.464 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.953 -5.727 4.837 1.00 0.00 H new ATOM 0 HG SER A 73 -16.207 -4.478 6.342 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.896 -2.383 1.949 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.856 -1.579 1.211 1.00 0.00 C ATOM 1185 C ARG A 74 -16.640 -1.703 -0.293 1.00 0.00 C ATOM 1186 O ARG A 74 -17.569 -2.015 -1.040 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.747 -0.110 1.624 1.00 0.00 C ATOM 1188 CG ARG A 74 -17.193 0.166 3.051 1.00 0.00 C ATOM 1189 CD ARG A 74 -18.668 -0.147 3.239 1.00 0.00 C ATOM 1190 NE ARG A 74 -19.151 0.249 4.561 1.00 0.00 N ATOM 1191 CZ ARG A 74 -20.388 0.025 4.999 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -21.251 -0.652 4.249 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -20.761 0.468 6.190 1.00 0.00 N ATOM 0 H ARG A 74 -14.956 -1.988 1.982 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.853 -1.951 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.712 0.213 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.347 0.494 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.601 -0.434 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.007 1.211 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.248 0.368 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.832 -1.215 3.099 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.501 0.726 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -20.967 -1.002 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.198 -0.822 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.100 0.982 6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.709 0.296 6.524 1.00 0.00 H new ATOM 1207 N THR A 75 -15.411 -1.468 -0.733 1.00 0.00 N ATOM 1208 CA THR A 75 -15.114 -1.433 -2.158 1.00 0.00 C ATOM 1209 C THR A 75 -13.989 -2.400 -2.525 1.00 0.00 C ATOM 1210 O THR A 75 -12.835 -2.208 -2.139 1.00 0.00 O ATOM 1211 CB THR A 75 -14.719 -0.008 -2.596 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.663 0.941 -2.077 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.677 0.100 -4.112 1.00 0.00 C ATOM 0 H THR A 75 -14.608 -1.300 -0.127 1.00 0.00 H new ATOM 0 HA THR A 75 -16.020 -1.740 -2.680 1.00 0.00 H new ATOM 0 HB THR A 75 -13.726 0.207 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.406 1.844 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.396 1.114 -4.397 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.944 -0.604 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.660 -0.133 -4.521 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.338 -3.443 -3.268 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.358 -4.402 -3.759 1.00 0.00 C ATOM 1223 C GLN A 76 -13.191 -4.264 -5.268 1.00 0.00 C ATOM 1224 O GLN A 76 -14.126 -3.871 -5.971 1.00 0.00 O ATOM 1225 CB GLN A 76 -13.758 -5.848 -3.413 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.062 -6.316 -4.046 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.289 -5.710 -3.394 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.762 -4.649 -3.801 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.813 -6.379 -2.380 1.00 0.00 N ATOM 0 H GLN A 76 -15.298 -3.646 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.411 -4.183 -3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -12.957 -6.517 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.843 -5.938 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.057 -6.061 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.122 -7.402 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.390 -7.255 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.640 -6.019 -1.904 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.003 -4.587 -5.756 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.710 -4.515 -7.184 1.00 0.00 C ATOM 1240 C PHE A 77 -11.114 -5.830 -7.672 1.00 0.00 C ATOM 1241 O PHE A 77 -10.442 -6.531 -6.919 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.730 -3.375 -7.474 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.306 -2.006 -7.256 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.126 -1.432 -8.211 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.024 -1.296 -6.101 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.657 -0.172 -8.021 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.552 -0.034 -5.906 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.369 0.528 -6.867 1.00 0.00 C ATOM 0 H PHE A 77 -11.221 -4.903 -5.183 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.645 -4.326 -7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.852 -3.494 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.390 -3.455 -8.507 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.353 -1.976 -9.116 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.386 -1.732 -5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.296 0.265 -8.774 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.326 0.513 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.782 1.514 -6.716 1.00 0.00 H new ATOM 1258 N SER A 78 -11.367 -6.153 -8.933 1.00 0.00 N ATOM 1259 CA SER A 78 -10.863 -7.378 -9.540 1.00 0.00 C ATOM 1260 C SER A 78 -9.383 -7.245 -9.893 1.00 0.00 C ATOM 1261 O SER A 78 -8.711 -8.229 -10.212 1.00 0.00 O ATOM 1262 CB SER A 78 -11.661 -7.686 -10.806 1.00 0.00 C ATOM 1263 OG SER A 78 -13.048 -7.464 -10.605 1.00 0.00 O ATOM 0 H SER A 78 -11.925 -5.576 -9.562 1.00 0.00 H new ATOM 0 HA SER A 78 -10.976 -8.190 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.305 -7.061 -11.625 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.495 -8.722 -11.101 1.00 0.00 H new ATOM 0 HG SER A 78 -13.535 -7.667 -11.431 1.00 0.00 H new ATOM 1269 N SER A 79 -8.885 -6.017 -9.834 1.00 0.00 N ATOM 1270 CA SER A 79 -7.512 -5.723 -10.199 1.00 0.00 C ATOM 1271 C SER A 79 -6.905 -4.741 -9.200 1.00 0.00 C ATOM 1272 O SER A 79 -7.549 -3.765 -8.805 1.00 0.00 O ATOM 1273 CB SER A 79 -7.469 -5.127 -11.608 1.00 0.00 C ATOM 1274 OG SER A 79 -8.156 -5.952 -12.536 1.00 0.00 O ATOM 0 H SER A 79 -9.421 -5.203 -9.533 1.00 0.00 H new ATOM 0 HA SER A 79 -6.933 -6.646 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.918 -4.134 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.433 -5.006 -11.923 1.00 0.00 H new ATOM 0 HG SER A 79 -8.114 -5.547 -13.427 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.667 -5.009 -8.795 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.968 -4.169 -7.827 1.00 0.00 C ATOM 1282 C LEU A 80 -4.611 -2.816 -8.435 1.00 0.00 C ATOM 1283 O LEU A 80 -4.396 -1.844 -7.714 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.703 -4.868 -7.324 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.935 -6.121 -6.481 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.604 -6.755 -6.106 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.736 -5.779 -5.233 1.00 0.00 C ATOM 0 H LEU A 80 -5.124 -5.807 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.638 -4.002 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.092 -5.139 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.126 -4.156 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.507 -6.839 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.782 -7.647 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.064 -7.030 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.011 -6.043 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.893 -6.682 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.189 -5.047 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.701 -5.362 -5.523 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.543 -2.764 -9.759 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.309 -1.512 -10.472 1.00 0.00 C ATOM 1301 C GLN A 81 -5.482 -0.564 -10.220 1.00 0.00 C ATOM 1302 O GLN A 81 -5.293 0.594 -9.847 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.138 -1.794 -11.971 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.287 -0.779 -12.730 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.930 0.589 -12.845 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -4.705 0.847 -13.761 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.589 1.485 -11.934 1.00 0.00 N ATOM 0 H GLN A 81 -4.647 -3.578 -10.365 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.396 -1.040 -10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.691 -2.781 -12.090 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.125 -1.834 -12.432 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.325 -0.678 -12.229 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.086 -1.162 -13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.942 1.232 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.973 2.429 -11.978 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.695 -1.078 -10.387 1.00 0.00 N ATOM 1317 CA GLN A 82 -7.905 -0.302 -10.121 1.00 0.00 C ATOM 1318 C GLN A 82 -7.974 0.088 -8.647 1.00 0.00 C ATOM 1319 O GLN A 82 -8.449 1.169 -8.298 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.145 -1.113 -10.498 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.127 -1.640 -11.922 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.294 -0.556 -12.968 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -8.914 0.598 -12.767 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -9.856 -0.930 -14.103 1.00 0.00 N ATOM 0 H GLN A 82 -6.869 -2.031 -10.706 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.873 0.605 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.239 -1.954 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.029 -0.490 -10.363 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.186 -2.161 -12.097 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.924 -2.374 -12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.157 -1.896 -14.229 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.989 -0.252 -14.854 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.485 -0.811 -7.798 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.439 -0.593 -6.357 1.00 0.00 C ATOM 1335 C LEU A 83 -6.695 0.703 -6.035 1.00 0.00 C ATOM 1336 O LEU A 83 -7.270 1.642 -5.483 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.762 -1.815 -5.699 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.642 -1.831 -4.166 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.515 -0.927 -3.687 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.960 -1.436 -3.518 1.00 0.00 C ATOM 0 H LEU A 83 -7.109 -1.713 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.449 -0.488 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.313 -2.706 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.758 -1.905 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.401 -2.850 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.458 -0.962 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.570 -1.267 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.708 0.097 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.852 -1.454 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.236 -0.431 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.738 -2.139 -3.817 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.420 0.754 -6.398 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.580 1.908 -6.091 1.00 0.00 C ATOM 1354 C VAL A 84 -5.079 3.173 -6.781 1.00 0.00 C ATOM 1355 O VAL A 84 -5.089 4.247 -6.186 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.107 1.664 -6.475 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.389 0.893 -5.379 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.003 0.912 -7.786 1.00 0.00 C ATOM 0 H VAL A 84 -4.943 0.009 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.643 2.049 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.630 2.637 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.351 0.731 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.422 1.464 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.879 -0.069 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.953 0.754 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.503 -0.052 -7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.478 1.492 -8.577 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.484 3.031 -8.033 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.017 4.149 -8.812 1.00 0.00 C ATOM 1370 C ALA A 85 -7.185 4.833 -8.098 1.00 0.00 C ATOM 1371 O ALA A 85 -7.205 6.058 -7.954 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.454 3.669 -10.188 1.00 0.00 C ATOM 0 H ALA A 85 -5.455 2.146 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.220 4.884 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.849 4.510 -10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.599 3.244 -10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.228 2.909 -10.079 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.146 4.037 -7.641 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.333 4.573 -6.984 1.00 0.00 C ATOM 1380 C TYR A 86 -9.001 5.106 -5.594 1.00 0.00 C ATOM 1381 O TYR A 86 -9.451 6.189 -5.208 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.416 3.495 -6.886 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.691 3.967 -6.218 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.552 4.840 -6.866 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.035 3.536 -4.942 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.716 5.274 -6.263 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.198 3.964 -4.333 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.036 4.831 -4.998 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.198 5.264 -4.397 1.00 0.00 O ATOM 0 H TYR A 86 -8.126 3.020 -7.713 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.705 5.402 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.653 3.139 -7.889 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.020 2.645 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.308 5.186 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.381 2.855 -4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.373 5.958 -6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.449 3.621 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.277 4.859 -3.508 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.195 4.356 -4.852 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.847 4.714 -3.479 1.00 0.00 C ATOM 1401 C TYR A 87 -6.824 5.849 -3.439 1.00 0.00 C ATOM 1402 O TYR A 87 -6.432 6.317 -2.367 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.329 3.485 -2.725 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.422 2.522 -2.294 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.326 1.990 -3.208 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.553 2.154 -0.963 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.320 1.118 -2.806 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.543 1.282 -0.554 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.424 0.769 -1.478 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.410 -0.100 -1.073 1.00 0.00 O ATOM 0 H TYR A 87 -7.767 3.490 -5.179 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.750 5.072 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.620 2.954 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.781 3.816 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.250 2.263 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.868 2.557 -0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.012 0.712 -3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.625 1.004 0.486 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.620 -0.719 -1.803 1.00 0.00 H new ATOM 1420 N SER A 88 -6.395 6.284 -4.614 1.00 0.00 N ATOM 1421 CA SER A 88 -5.546 7.454 -4.732 1.00 0.00 C ATOM 1422 C SER A 88 -6.400 8.714 -4.614 1.00 0.00 C ATOM 1423 O SER A 88 -5.904 9.798 -4.299 1.00 0.00 O ATOM 1424 CB SER A 88 -4.802 7.430 -6.073 1.00 0.00 C ATOM 1425 OG SER A 88 -3.844 8.470 -6.159 1.00 0.00 O ATOM 0 H SER A 88 -6.624 5.839 -5.503 1.00 0.00 H new ATOM 0 HA SER A 88 -4.807 7.451 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.306 6.467 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.519 7.527 -6.889 1.00 0.00 H new ATOM 0 HG SER A 88 -3.414 8.592 -5.287 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.694 8.559 -4.871 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.634 9.659 -4.738 1.00 0.00 C ATOM 1433 C LYS A 89 -9.535 9.430 -3.534 1.00 0.00 C ATOM 1434 O LYS A 89 -9.708 10.313 -2.696 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.484 9.808 -5.999 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.669 9.959 -7.271 1.00 0.00 C ATOM 1437 CD LYS A 89 -9.489 10.581 -8.388 1.00 0.00 C ATOM 1438 CE LYS A 89 -9.911 12.002 -8.041 1.00 0.00 C ATOM 1439 NZ LYS A 89 -8.740 12.903 -7.858 1.00 0.00 N ATOM 0 H LYS A 89 -8.114 7.680 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.065 10.578 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.132 8.937 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.133 10.677 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.794 10.578 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.303 8.982 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.906 10.587 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.374 9.972 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.550 12.394 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.506 11.991 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.060 13.893 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.277 12.690 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.064 12.756 -8.635 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.102 8.237 -3.455 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.949 7.865 -2.332 1.00 0.00 C ATOM 1455 C HIS A 90 -10.256 6.797 -1.507 1.00 0.00 C ATOM 1456 O HIS A 90 -10.253 5.628 -1.886 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.303 7.326 -2.804 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.144 8.310 -3.551 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.162 9.030 -2.968 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.136 8.663 -4.853 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.748 9.780 -3.884 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.145 9.576 -5.041 1.00 0.00 N ATOM 0 H HIS A 90 -9.991 7.507 -4.158 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.122 8.759 -1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.131 6.459 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.862 6.977 -1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.459 8.295 -5.610 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.580 10.448 -3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.388 10.022 -5.926 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.665 7.197 -0.394 1.00 0.00 N ATOM 1472 CA ALA A 91 -8.971 6.259 0.472 1.00 0.00 C ATOM 1473 C ALA A 91 -9.970 5.340 1.162 1.00 0.00 C ATOM 1474 O ALA A 91 -9.686 4.169 1.412 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.130 7.006 1.492 1.00 0.00 C ATOM 0 H ALA A 91 -9.652 8.164 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.305 5.646 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.616 6.291 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.395 7.623 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.774 7.641 2.100 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.140 5.907 1.459 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.273 5.183 2.036 1.00 0.00 C ATOM 1483 C ASP A 92 -11.930 4.628 3.416 1.00 0.00 C ATOM 1484 O ASP A 92 -12.238 5.247 4.433 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.747 4.057 1.106 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.140 3.569 1.460 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.278 2.781 2.419 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -15.106 3.986 0.784 1.00 0.00 O ATOM 0 H ASP A 92 -11.330 6.897 1.303 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.090 5.896 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.739 4.412 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.047 3.223 1.161 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.276 3.474 3.438 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.877 2.863 4.688 1.00 0.00 C ATOM 1495 C GLY A 93 -9.590 3.458 5.216 1.00 0.00 C ATOM 1496 O GLY A 93 -9.462 3.719 6.414 1.00 0.00 O ATOM 0 H GLY A 93 -11.014 2.948 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.668 2.994 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.750 1.790 4.544 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.634 3.674 4.319 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.358 4.267 4.682 1.00 0.00 C ATOM 1502 C LEU A 94 -7.546 5.684 5.206 1.00 0.00 C ATOM 1503 O LEU A 94 -8.400 6.434 4.729 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.398 4.282 3.485 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.036 2.908 2.921 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.095 2.420 1.953 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.668 2.946 2.252 1.00 0.00 C ATOM 0 H LEU A 94 -8.723 3.444 3.329 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.925 3.654 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.845 4.877 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.480 4.788 3.783 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.992 2.203 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.812 1.441 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.052 2.344 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.184 3.124 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.429 1.959 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.682 3.669 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.914 3.237 2.983 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.741 6.032 6.197 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.787 7.351 6.810 1.00 0.00 C ATOM 1521 C CYS A 95 -6.172 8.398 5.883 1.00 0.00 C ATOM 1522 O CYS A 95 -6.401 9.597 6.044 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.047 7.323 8.152 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.072 8.881 9.065 1.00 0.00 S ATOM 0 H CYS A 95 -6.039 5.411 6.599 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.828 7.623 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.486 6.545 8.777 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.010 7.040 7.973 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.216 9.869 8.233 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.400 7.937 4.909 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.745 8.833 3.971 1.00 0.00 C ATOM 1532 C HIS A 96 -4.784 8.247 2.564 1.00 0.00 C ATOM 1533 O HIS A 96 -4.493 7.068 2.364 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.300 9.092 4.412 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.601 10.152 3.611 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.809 11.490 3.854 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -1.718 10.021 2.594 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.051 12.139 2.987 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.374 11.291 2.202 1.00 0.00 N ATOM 0 H HIS A 96 -5.213 6.947 4.749 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.278 9.784 3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.298 9.383 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.735 8.163 4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.354 9.096 2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.986 13.215 2.920 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.726 11.541 1.455 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.167 9.081 1.605 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.266 8.679 0.204 1.00 0.00 C ATOM 1549 C ARG A 97 -3.882 8.422 -0.389 1.00 0.00 C ATOM 1550 O ARG A 97 -2.921 9.126 -0.073 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.002 9.756 -0.616 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.258 11.085 -0.770 1.00 0.00 C ATOM 1553 CD ARG A 97 -5.129 11.846 0.548 1.00 0.00 C ATOM 1554 NE ARG A 97 -6.431 12.168 1.134 1.00 0.00 N ATOM 1555 CZ ARG A 97 -6.644 12.337 2.443 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -5.645 12.186 3.313 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -7.853 12.664 2.880 1.00 0.00 N ATOM 0 H ARG A 97 -5.418 10.055 1.775 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.837 7.752 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.206 9.356 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.966 9.951 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.263 10.895 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.782 11.708 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.553 11.249 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.571 12.767 0.380 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.226 12.270 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.712 11.940 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.813 12.316 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.619 12.786 2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.017 12.793 3.878 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.795 7.409 -1.245 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.534 7.042 -1.885 1.00 0.00 C ATOM 1573 C LEU A 98 -2.011 8.206 -2.724 1.00 0.00 C ATOM 1574 O LEU A 98 -2.583 8.542 -3.759 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.731 5.792 -2.752 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.274 4.564 -2.009 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.432 3.390 -2.958 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.360 4.184 -0.855 1.00 0.00 C ATOM 0 H LEU A 98 -4.586 6.824 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.796 6.816 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.414 6.037 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.776 5.530 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.254 4.821 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.818 2.530 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.128 3.656 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.464 3.140 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.765 3.311 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.367 3.951 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.293 5.017 -0.155 1.00 0.00 H new ATOM 1590 N THR A 99 -0.927 8.822 -2.268 1.00 0.00 N ATOM 1591 CA THR A 99 -0.439 10.055 -2.873 1.00 0.00 C ATOM 1592 C THR A 99 0.716 9.801 -3.848 1.00 0.00 C ATOM 1593 O THR A 99 0.681 10.257 -4.991 1.00 0.00 O ATOM 1594 CB THR A 99 0.008 11.046 -1.781 1.00 0.00 C ATOM 1595 OG1 THR A 99 -0.997 11.121 -0.758 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.246 12.431 -2.365 1.00 0.00 C ATOM 0 H THR A 99 -0.370 8.488 -1.482 1.00 0.00 H new ATOM 0 HA THR A 99 -1.264 10.484 -3.441 1.00 0.00 H new ATOM 0 HB THR A 99 0.945 10.687 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.558 10.318 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.560 13.111 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.024 12.376 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.676 12.800 -2.815 1.00 0.00 H new ATOM 1604 N ASN A 100 1.736 9.078 -3.398 1.00 0.00 N ATOM 1605 CA ASN A 100 2.902 8.802 -4.235 1.00 0.00 C ATOM 1606 C ASN A 100 3.432 7.411 -3.931 1.00 0.00 C ATOM 1607 O ASN A 100 3.298 6.927 -2.810 1.00 0.00 O ATOM 1608 CB ASN A 100 4.006 9.850 -4.005 1.00 0.00 C ATOM 1609 CG ASN A 100 4.738 9.679 -2.686 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.764 9.006 -2.610 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.217 10.291 -1.636 1.00 0.00 N ATOM 0 H ASN A 100 1.781 8.673 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 100 2.598 8.854 -5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.726 9.793 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.564 10.846 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.668 10.213 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.364 10.841 -1.738 1.00 0.00 H new ATOM 1618 N VAL A 101 4.007 6.759 -4.925 1.00 0.00 N ATOM 1619 CA VAL A 101 4.545 5.425 -4.726 1.00 0.00 C ATOM 1620 C VAL A 101 5.998 5.525 -4.275 1.00 0.00 C ATOM 1621 O VAL A 101 6.728 6.419 -4.706 1.00 0.00 O ATOM 1622 CB VAL A 101 4.459 4.564 -6.006 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.438 3.088 -5.642 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.237 4.932 -6.839 1.00 0.00 C ATOM 0 H VAL A 101 4.113 7.127 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 101 3.942 4.937 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 101 5.343 4.764 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.377 2.490 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.349 2.834 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.572 2.881 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.205 4.309 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.334 4.770 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.297 5.981 -7.130 1.00 0.00 H new ATOM 1634 N CYS A 102 6.388 4.614 -3.391 1.00 0.00 N ATOM 1635 CA CYS A 102 7.710 4.628 -2.775 1.00 0.00 C ATOM 1636 C CYS A 102 8.826 4.620 -3.814 1.00 0.00 C ATOM 1637 O CYS A 102 8.857 3.765 -4.698 1.00 0.00 O ATOM 1638 CB CYS A 102 7.864 3.425 -1.843 1.00 0.00 C ATOM 1639 SG CYS A 102 9.452 3.357 -0.976 1.00 0.00 S ATOM 0 H CYS A 102 5.796 3.844 -3.081 1.00 0.00 H new ATOM 0 HA CYS A 102 7.795 5.553 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.061 3.445 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.741 2.511 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 102 10.410 3.659 -1.801 1.00 0.00 H new ATOM 1645 N PRO A 103 9.753 5.587 -3.720 1.00 0.00 N ATOM 1646 CA PRO A 103 10.937 5.630 -4.572 1.00 0.00 C ATOM 1647 C PRO A 103 11.861 4.453 -4.289 1.00 0.00 C ATOM 1648 O PRO A 103 12.196 4.176 -3.134 1.00 0.00 O ATOM 1649 CB PRO A 103 11.624 6.952 -4.198 1.00 0.00 C ATOM 1650 CG PRO A 103 10.597 7.733 -3.451 1.00 0.00 C ATOM 1651 CD PRO A 103 9.711 6.720 -2.786 1.00 0.00 C ATOM 0 HA PRO A 103 10.684 5.569 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.507 6.776 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.955 7.488 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.064 8.387 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.024 8.370 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.082 6.444 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.697 7.096 -2.652 1.00 0.00 H new ATOM 1659 N THR A 104 12.258 3.761 -5.340 1.00 0.00 N ATOM 1660 CA THR A 104 13.120 2.602 -5.206 1.00 0.00 C ATOM 1661 C THR A 104 14.555 2.973 -5.577 1.00 0.00 C ATOM 1662 O THR A 104 14.833 4.135 -5.882 1.00 0.00 O ATOM 1663 CB THR A 104 12.615 1.433 -6.089 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.396 0.252 -5.857 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.669 1.799 -7.567 1.00 0.00 C ATOM 0 H THR A 104 11.996 3.983 -6.300 1.00 0.00 H new ATOM 0 HA THR A 104 13.098 2.272 -4.167 1.00 0.00 H new ATOM 0 HB THR A 104 11.578 1.237 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.524 0.129 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.309 0.960 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.040 2.670 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.697 2.029 -7.848 1.00 0.00 H new ATOM 1673 N SER A 105 15.450 1.985 -5.543 1.00 0.00 N ATOM 1674 CA SER A 105 16.856 2.184 -5.883 1.00 0.00 C ATOM 1675 C SER A 105 17.517 3.151 -4.903 1.00 0.00 C ATOM 1676 O SER A 105 17.859 4.284 -5.249 1.00 0.00 O ATOM 1677 CB SER A 105 16.985 2.689 -7.322 1.00 0.00 C ATOM 1678 OG SER A 105 16.200 1.891 -8.199 1.00 0.00 O ATOM 0 H SER A 105 15.220 1.027 -5.279 1.00 0.00 H new ATOM 0 HA SER A 105 17.372 1.227 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.663 3.729 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.030 2.661 -7.632 1.00 0.00 H new ATOM 0 HG SER A 105 16.291 2.226 -9.115 1.00 0.00 H new ATOM 1684 N LYS A 106 17.681 2.693 -3.673 1.00 0.00 N ATOM 1685 CA LYS A 106 18.261 3.507 -2.622 1.00 0.00 C ATOM 1686 C LYS A 106 19.623 2.946 -2.242 1.00 0.00 C ATOM 1687 O LYS A 106 19.664 1.877 -1.595 1.00 0.00 O ATOM 1688 CB LYS A 106 17.331 3.529 -1.404 1.00 0.00 C ATOM 1689 CG LYS A 106 17.724 4.523 -0.323 1.00 0.00 C ATOM 1690 CD LYS A 106 17.592 5.955 -0.810 1.00 0.00 C ATOM 1691 CE LYS A 106 17.750 6.945 0.331 1.00 0.00 C ATOM 1692 NZ LYS A 106 17.562 8.345 -0.121 1.00 0.00 N ATOM 1693 OXT LYS A 106 20.646 3.561 -2.604 1.00 0.00 O ATOM 0 H LYS A 106 17.417 1.753 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 106 18.385 4.529 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 106 16.320 3.759 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 106 17.302 2.531 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.094 4.376 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.752 4.337 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 106 18.346 6.153 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.619 6.093 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 106 17.026 6.716 1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 106 18.741 6.836 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 18.459 8.863 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.259 8.351 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.836 8.804 0.465 1.00 0.00 H new TER 1707 LYS A 106