USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 774 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 97 ASN : amide:sc= -9.92! C(o=-9.9!,f=-7.4!) USER MOD Set 2.1: A 93 TYR OH : rot 39:sc= -13.3! USER MOD Set 2.2: A 94 HIS : no HD1:sc= -44.8! C(o=-58!,f=-51!) USER MOD Set 3.1: A 92 GLN : amide:sc= -8.14! C(o=-19!,f=-14!) USER MOD Set 3.2: A 95 GLN : amide:sc= -10.7! C(o=-19!,f=-25!) USER MOD Set 4.1: A 39 SER OG : rot 82:sc= -2.51! USER MOD Set 4.2: A 46 THR OG1 : rot -98:sc= -4.79! USER MOD Set 4.3: A 65 HIS : no HE2:sc= -22.2! C(o=-29!,f=-40!) USER MOD Set 5.1: A 62 LYS NZ :NH3+ 140:sc= -5.93! (180deg=-4.66!) USER MOD Set 5.2: A 64 TYR OH : rot -91:sc= -14.4! USER MOD Set 6.1: A 13 ASN : amide:sc= -24.3! C(o=-57!,f=-49!) USER MOD Set 6.2: A 35 MET CE :methyl -178:sc= -33.2! (180deg=-25.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 154:sc= -3.84! USER MOD Single : A 12 TYR OH : rot 67:sc= -3.25! USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= -5.89! (180deg=-9.74!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= -0.99 (180deg=-1.23) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= -9.69! (180deg=-10.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -6.73! USER MOD Single : A 44 THR OG1 : rot -148:sc= -4.26! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 94:sc= -16.3! USER MOD Single : A 51 THR OG1 : rot 130:sc=0.000858 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -19.8! C(o=-20!,f=-29!) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0236) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00073 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -15:sc= -0.821! USER MOD Single : A 81 LYS NZ :NH3+ 140:sc= -4.98! (180deg=-9.56!) USER MOD Single : A 82 TYR OH : rot 130:sc= 0.191! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -23:sc= -2.06 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 34:sc= 0.449 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -5.762 8.534 5.751 1.00 0.00 N ATOM 36 CA LEU A 6 -4.913 7.348 5.772 1.00 0.00 C ATOM 37 C LEU A 6 -3.624 7.605 6.545 1.00 0.00 C ATOM 38 O LEU A 6 -3.245 6.830 7.422 1.00 0.00 O ATOM 39 CB LEU A 6 -4.541 6.925 4.355 1.00 0.00 C ATOM 40 CG LEU A 6 -5.620 6.206 3.551 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.032 4.962 2.922 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.802 5.842 4.425 1.00 0.00 C ATOM 0 HA LEU A 6 -5.482 6.558 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.240 7.815 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.668 6.275 4.412 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.978 6.877 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.801 4.447 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.211 5.241 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.659 4.300 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.555 5.331 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.471 5.184 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.232 6.748 4.851 1.00 0.00 H new ATOM 54 N GLU A 7 -2.942 8.688 6.185 1.00 0.00 N ATOM 55 CA GLU A 7 -1.677 9.048 6.814 1.00 0.00 C ATOM 56 C GLU A 7 -1.520 8.375 8.167 1.00 0.00 C ATOM 57 O GLU A 7 -0.440 7.903 8.519 1.00 0.00 O ATOM 58 CB GLU A 7 -1.567 10.567 6.965 1.00 0.00 C ATOM 59 CG GLU A 7 -2.708 11.184 7.757 1.00 0.00 C ATOM 60 CD GLU A 7 -2.869 12.666 7.487 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.137 13.032 6.323 1.00 0.00 O ATOM 62 OE2 GLU A 7 -2.729 13.463 8.439 1.00 0.00 O ATOM 0 H GLU A 7 -3.247 9.334 5.457 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.873 8.697 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.624 10.808 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.536 11.021 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.637 10.670 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.532 11.029 8.822 1.00 0.00 H new ATOM 69 N THR A 8 -2.607 8.327 8.913 1.00 0.00 N ATOM 70 CA THR A 8 -2.605 7.703 10.223 1.00 0.00 C ATOM 71 C THR A 8 -1.862 6.374 10.177 1.00 0.00 C ATOM 72 O THR A 8 -1.435 5.852 11.207 1.00 0.00 O ATOM 73 CB THR A 8 -4.042 7.482 10.681 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.175 6.233 11.338 1.00 0.00 O ATOM 75 CG2 THR A 8 -5.029 7.511 9.534 1.00 0.00 C ATOM 0 H THR A 8 -3.508 8.715 8.632 1.00 0.00 H new ATOM 0 HA THR A 8 -2.096 8.359 10.929 1.00 0.00 H new ATOM 0 HB THR A 8 -4.267 8.303 11.362 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.104 6.112 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.037 7.348 9.917 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.981 8.480 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.781 6.725 8.820 1.00 0.00 H new ATOM 83 N TYR A 9 -1.729 5.822 8.974 1.00 0.00 N ATOM 84 CA TYR A 9 -1.060 4.544 8.792 1.00 0.00 C ATOM 85 C TYR A 9 0.402 4.709 8.412 1.00 0.00 C ATOM 86 O TYR A 9 0.749 5.527 7.561 1.00 0.00 O ATOM 87 CB TYR A 9 -1.789 3.753 7.721 1.00 0.00 C ATOM 88 CG TYR A 9 -3.270 3.747 7.970 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.808 2.959 8.972 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.126 4.557 7.233 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.158 2.968 9.238 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.484 4.569 7.490 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.994 3.774 8.495 1.00 0.00 C ATOM 94 OH TYR A 9 -7.345 3.787 8.759 1.00 0.00 O ATOM 0 H TYR A 9 -2.077 6.243 8.112 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.085 4.010 9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.583 4.185 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.416 2.729 7.703 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.157 2.325 9.556 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.725 5.184 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.561 2.347 10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.142 5.197 6.907 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.724 4.647 8.481 1.00 0.00 H new ATOM 104 N GLU A 10 1.252 3.906 9.038 1.00 0.00 N ATOM 105 CA GLU A 10 2.677 3.939 8.757 1.00 0.00 C ATOM 106 C GLU A 10 2.909 3.831 7.265 1.00 0.00 C ATOM 107 O GLU A 10 3.876 4.368 6.727 1.00 0.00 O ATOM 108 CB GLU A 10 3.383 2.775 9.447 1.00 0.00 C ATOM 109 CG GLU A 10 2.428 1.734 9.987 1.00 0.00 C ATOM 110 CD GLU A 10 3.132 0.641 10.767 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.235 0.901 11.291 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.580 -0.476 10.852 1.00 0.00 O ATOM 0 H GLU A 10 0.977 3.224 9.744 1.00 0.00 H new ATOM 0 HA GLU A 10 3.078 4.881 9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.064 2.302 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.990 3.161 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.695 2.219 10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.878 1.287 9.159 1.00 0.00 H new ATOM 119 N TRP A 11 2.023 3.094 6.610 1.00 0.00 N ATOM 120 CA TRP A 11 2.124 2.857 5.186 1.00 0.00 C ATOM 121 C TRP A 11 1.637 4.030 4.343 1.00 0.00 C ATOM 122 O TRP A 11 2.108 4.220 3.226 1.00 0.00 O ATOM 123 CB TRP A 11 1.322 1.615 4.833 1.00 0.00 C ATOM 124 CG TRP A 11 0.021 1.499 5.582 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.231 0.775 6.719 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.220 2.104 5.216 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.558 0.894 7.068 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.182 1.707 6.162 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.607 2.945 4.178 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.509 2.121 6.094 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.921 3.359 4.110 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.861 2.945 5.064 1.00 0.00 C ATOM 0 H TRP A 11 1.220 2.648 7.052 1.00 0.00 H new ATOM 0 HA TRP A 11 3.181 2.723 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.115 1.619 3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.928 0.732 5.037 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.503 0.197 7.261 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.003 0.449 7.871 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.891 3.269 3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.233 1.802 6.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.231 4.013 3.308 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.883 3.284 4.983 1.00 0.00 H new ATOM 143 N TYR A 12 0.677 4.794 4.844 1.00 0.00 N ATOM 144 CA TYR A 12 0.144 5.906 4.065 1.00 0.00 C ATOM 145 C TYR A 12 1.089 7.095 4.008 1.00 0.00 C ATOM 146 O TYR A 12 1.699 7.484 5.004 1.00 0.00 O ATOM 147 CB TYR A 12 -1.212 6.362 4.591 1.00 0.00 C ATOM 148 CG TYR A 12 -1.961 7.214 3.591 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.517 6.643 2.458 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.108 8.584 3.776 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.201 7.408 1.533 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.793 9.356 2.857 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.337 8.764 1.739 1.00 0.00 C ATOM 154 OH TYR A 12 -4.021 9.529 0.823 1.00 0.00 O ATOM 0 H TYR A 12 0.258 4.671 5.766 1.00 0.00 H new ATOM 0 HA TYR A 12 0.027 5.522 3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.813 5.489 4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.070 6.928 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.414 5.580 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.681 9.052 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.626 6.946 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.901 10.419 3.015 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.968 9.275 0.826 1.00 0.00 H new ATOM 164 N ASN A 13 1.176 7.674 2.816 1.00 0.00 N ATOM 165 CA ASN A 13 2.012 8.839 2.570 1.00 0.00 C ATOM 166 C ASN A 13 1.325 9.767 1.573 1.00 0.00 C ATOM 167 O ASN A 13 1.351 9.526 0.368 1.00 0.00 O ATOM 168 CB ASN A 13 3.380 8.416 2.041 1.00 0.00 C ATOM 169 CG ASN A 13 4.380 8.192 3.160 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.147 8.587 4.303 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.501 7.559 2.840 1.00 0.00 N ATOM 0 H ASN A 13 0.668 7.348 1.994 1.00 0.00 H new ATOM 0 HA ASN A 13 2.158 9.370 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.276 7.500 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.759 9.182 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.209 7.383 3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.655 7.248 1.881 1.00 0.00 H new ATOM 178 N LYS A 14 0.692 10.816 2.087 1.00 0.00 N ATOM 179 CA LYS A 14 -0.022 11.765 1.241 1.00 0.00 C ATOM 180 C LYS A 14 0.920 12.497 0.288 1.00 0.00 C ATOM 181 O LYS A 14 2.106 12.664 0.572 1.00 0.00 O ATOM 182 CB LYS A 14 -0.775 12.781 2.100 1.00 0.00 C ATOM 183 CG LYS A 14 0.137 13.706 2.890 1.00 0.00 C ATOM 184 CD LYS A 14 0.888 12.953 3.975 1.00 0.00 C ATOM 185 CE LYS A 14 -0.044 12.073 4.792 1.00 0.00 C ATOM 186 NZ LYS A 14 0.701 11.216 5.755 1.00 0.00 N ATOM 0 H LYS A 14 0.659 11.030 3.084 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.732 11.195 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.419 13.381 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.425 12.247 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.849 14.180 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.454 14.503 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.665 12.338 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.388 13.664 4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.751 12.700 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.628 11.442 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.384 10.230 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.720 11.273 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.521 11.546 6.725 1.00 0.00 H new ATOM 200 N SER A 15 0.370 12.942 -0.839 1.00 0.00 N ATOM 201 CA SER A 15 1.138 13.675 -1.844 1.00 0.00 C ATOM 202 C SER A 15 2.274 12.835 -2.425 1.00 0.00 C ATOM 203 O SER A 15 2.996 13.289 -3.312 1.00 0.00 O ATOM 204 CB SER A 15 1.703 14.961 -1.238 1.00 0.00 C ATOM 205 OG SER A 15 3.112 15.016 -1.381 1.00 0.00 O ATOM 0 H SER A 15 -0.612 12.807 -1.081 1.00 0.00 H new ATOM 0 HA SER A 15 0.457 13.919 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.251 15.825 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.439 15.016 -0.182 1.00 0.00 H new ATOM 0 HG SER A 15 3.449 15.848 -0.987 1.00 0.00 H new ATOM 211 N ILE A 16 2.441 11.620 -1.915 1.00 0.00 N ATOM 212 CA ILE A 16 3.500 10.739 -2.381 1.00 0.00 C ATOM 213 C ILE A 16 3.367 10.382 -3.853 1.00 0.00 C ATOM 214 O ILE A 16 2.296 10.501 -4.450 1.00 0.00 O ATOM 215 CB ILE A 16 3.524 9.429 -1.586 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.801 9.339 -0.769 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.408 8.240 -2.528 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.321 7.926 -0.638 1.00 0.00 C ATOM 0 H ILE A 16 1.856 11.225 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 16 4.424 11.298 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 16 2.673 9.413 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.567 9.960 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.619 9.747 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.426 7.315 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.471 8.304 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.244 8.247 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.235 7.928 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.571 7.306 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.533 7.523 -1.628 1.00 0.00 H new ATOM 230 N SER A 17 4.473 9.910 -4.413 1.00 0.00 N ATOM 231 CA SER A 17 4.528 9.483 -5.800 1.00 0.00 C ATOM 232 C SER A 17 5.061 8.056 -5.875 1.00 0.00 C ATOM 233 O SER A 17 5.181 7.378 -4.855 1.00 0.00 O ATOM 234 CB SER A 17 5.416 10.422 -6.615 1.00 0.00 C ATOM 235 OG SER A 17 4.915 10.585 -7.930 1.00 0.00 O ATOM 0 H SER A 17 5.358 9.813 -3.915 1.00 0.00 H new ATOM 0 HA SER A 17 3.522 9.513 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.474 11.392 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.430 10.024 -6.656 1.00 0.00 H new ATOM 0 HG SER A 17 5.500 11.192 -8.430 1.00 0.00 H new ATOM 241 N ARG A 18 5.385 7.605 -7.077 1.00 0.00 N ATOM 242 CA ARG A 18 5.912 6.259 -7.265 1.00 0.00 C ATOM 243 C ARG A 18 7.364 6.163 -6.795 1.00 0.00 C ATOM 244 O ARG A 18 7.765 5.176 -6.180 1.00 0.00 O ATOM 245 CB ARG A 18 5.812 5.852 -8.736 1.00 0.00 C ATOM 246 CG ARG A 18 5.984 7.013 -9.701 1.00 0.00 C ATOM 247 CD ARG A 18 4.659 7.423 -10.321 1.00 0.00 C ATOM 248 NE ARG A 18 4.671 7.295 -11.775 1.00 0.00 N ATOM 249 CZ ARG A 18 4.970 6.168 -12.412 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.277 5.077 -11.725 1.00 0.00 N ATOM 251 NH2 ARG A 18 4.959 6.130 -13.738 1.00 0.00 N ATOM 0 H ARG A 18 5.293 8.148 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 18 5.312 5.577 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.570 5.098 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.842 5.386 -8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.419 7.863 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.684 6.733 -10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.860 6.806 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.436 8.455 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 18 4.437 8.116 -12.333 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.284 5.102 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.506 4.213 -12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.721 6.967 -14.270 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.189 5.264 -14.225 1.00 0.00 H new ATOM 265 N ASP A 19 8.151 7.187 -7.114 1.00 0.00 N ATOM 266 CA ASP A 19 9.567 7.214 -6.751 1.00 0.00 C ATOM 267 C ASP A 19 9.793 7.470 -5.260 1.00 0.00 C ATOM 268 O ASP A 19 10.614 6.801 -4.631 1.00 0.00 O ATOM 269 CB ASP A 19 10.292 8.284 -7.568 1.00 0.00 C ATOM 270 CG ASP A 19 11.689 7.855 -7.973 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.813 7.085 -8.948 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.657 8.290 -7.316 1.00 0.00 O ATOM 0 H ASP A 19 7.832 8.011 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 19 9.970 6.226 -6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.711 8.510 -8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.352 9.203 -6.986 1.00 0.00 H new ATOM 277 N LYS A 20 9.091 8.451 -4.700 1.00 0.00 N ATOM 278 CA LYS A 20 9.259 8.796 -3.289 1.00 0.00 C ATOM 279 C LYS A 20 9.003 7.601 -2.378 1.00 0.00 C ATOM 280 O LYS A 20 9.829 7.275 -1.521 1.00 0.00 O ATOM 281 CB LYS A 20 8.328 9.946 -2.908 1.00 0.00 C ATOM 282 CG LYS A 20 8.356 11.098 -3.894 1.00 0.00 C ATOM 283 CD LYS A 20 7.095 11.128 -4.738 1.00 0.00 C ATOM 284 CE LYS A 20 6.090 12.138 -4.205 1.00 0.00 C ATOM 285 NZ LYS A 20 6.721 13.106 -3.265 1.00 0.00 N ATOM 0 H LYS A 20 8.404 9.019 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 20 10.295 9.106 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.309 9.568 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.605 10.316 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.458 12.040 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.228 11.005 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.351 11.377 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.643 10.136 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.643 12.680 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.282 11.612 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.024 13.827 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.050 12.602 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.530 13.565 -3.731 1.00 0.00 H new ATOM 299 N ALA A 21 7.863 6.944 -2.558 1.00 0.00 N ATOM 300 CA ALA A 21 7.538 5.792 -1.731 1.00 0.00 C ATOM 301 C ALA A 21 8.669 4.772 -1.791 1.00 0.00 C ATOM 302 O ALA A 21 9.217 4.368 -0.763 1.00 0.00 O ATOM 303 CB ALA A 21 6.207 5.180 -2.134 1.00 0.00 C ATOM 0 H ALA A 21 7.160 7.185 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 21 7.432 6.124 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.993 4.322 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.416 5.922 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.255 4.857 -3.174 1.00 0.00 H new ATOM 309 N GLU A 22 9.057 4.387 -2.999 1.00 0.00 N ATOM 310 CA GLU A 22 10.155 3.450 -3.158 1.00 0.00 C ATOM 311 C GLU A 22 11.373 4.006 -2.433 1.00 0.00 C ATOM 312 O GLU A 22 12.069 3.287 -1.698 1.00 0.00 O ATOM 313 CB GLU A 22 10.470 3.244 -4.640 1.00 0.00 C ATOM 314 CG GLU A 22 9.250 2.896 -5.477 1.00 0.00 C ATOM 315 CD GLU A 22 9.316 3.482 -6.875 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.263 4.247 -7.153 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.422 3.175 -7.690 1.00 0.00 O ATOM 0 H GLU A 22 8.633 4.705 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 22 9.879 2.484 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.925 4.152 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.208 2.448 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.158 1.812 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.354 3.261 -4.976 1.00 0.00 H new ATOM 324 N LYS A 23 11.591 5.312 -2.620 1.00 0.00 N ATOM 325 CA LYS A 23 12.687 6.013 -1.974 1.00 0.00 C ATOM 326 C LYS A 23 12.579 5.826 -0.469 1.00 0.00 C ATOM 327 O LYS A 23 13.537 5.433 0.196 1.00 0.00 O ATOM 328 CB LYS A 23 12.651 7.502 -2.324 1.00 0.00 C ATOM 329 CG LYS A 23 12.300 8.397 -1.148 1.00 0.00 C ATOM 330 CD LYS A 23 12.844 9.803 -1.336 1.00 0.00 C ATOM 331 CE LYS A 23 11.893 10.848 -0.773 1.00 0.00 C ATOM 332 NZ LYS A 23 11.859 10.822 0.715 1.00 0.00 N ATOM 0 H LYS A 23 11.014 5.902 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 23 13.633 5.603 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.624 7.798 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.924 7.662 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.217 8.437 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.704 7.969 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.813 9.888 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.008 9.992 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.199 11.838 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.890 10.674 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.200 11.549 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.543 9.886 1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.811 11.014 1.087 1.00 0.00 H new ATOM 346 N LEU A 24 11.387 6.087 0.058 1.00 0.00 N ATOM 347 CA LEU A 24 11.141 5.918 1.482 1.00 0.00 C ATOM 348 C LEU A 24 11.262 4.449 1.851 1.00 0.00 C ATOM 349 O LEU A 24 11.710 4.106 2.945 1.00 0.00 O ATOM 350 CB LEU A 24 9.752 6.436 1.868 1.00 0.00 C ATOM 351 CG LEU A 24 8.639 6.138 0.861 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.054 4.747 1.080 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.548 7.193 0.956 1.00 0.00 C ATOM 0 H LEU A 24 10.582 6.414 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 24 11.885 6.497 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.475 6.003 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.811 7.515 2.010 1.00 0.00 H new ATOM 0 HG LEU A 24 9.072 6.165 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.266 4.565 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.839 4.000 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.639 4.681 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.762 6.970 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.128 7.193 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.971 8.174 0.740 1.00 0.00 H new ATOM 365 N LEU A 25 10.852 3.580 0.930 1.00 0.00 N ATOM 366 CA LEU A 25 10.911 2.146 1.166 1.00 0.00 C ATOM 367 C LEU A 25 12.345 1.666 1.283 1.00 0.00 C ATOM 368 O LEU A 25 12.738 1.109 2.309 1.00 0.00 O ATOM 369 CB LEU A 25 10.221 1.396 0.037 1.00 0.00 C ATOM 370 CG LEU A 25 8.765 1.045 0.310 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.494 1.087 1.803 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.850 1.987 -0.445 1.00 0.00 C ATOM 0 H LEU A 25 10.478 3.845 0.019 1.00 0.00 H new ATOM 0 HA LEU A 25 10.398 1.946 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.272 2.001 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.772 0.477 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 25 8.565 0.033 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.450 0.835 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.138 0.368 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.699 2.088 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.811 1.726 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.036 3.011 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.043 1.902 -1.514 1.00 0.00 H new ATOM 384 N LEU A 26 13.135 1.895 0.243 1.00 0.00 N ATOM 385 CA LEU A 26 14.533 1.485 0.279 1.00 0.00 C ATOM 386 C LEU A 26 15.261 2.310 1.315 1.00 0.00 C ATOM 387 O LEU A 26 16.122 1.813 2.042 1.00 0.00 O ATOM 388 CB LEU A 26 15.182 1.637 -1.091 1.00 0.00 C ATOM 389 CG LEU A 26 15.549 3.059 -1.480 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.303 3.913 -1.485 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.592 3.622 -0.528 1.00 0.00 C ATOM 0 H LEU A 26 12.841 2.353 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 26 14.592 0.431 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.084 1.026 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.503 1.236 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 26 15.982 3.059 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.563 4.934 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.589 3.511 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.856 3.911 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.842 4.641 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.194 3.625 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.489 3.004 -0.564 1.00 0.00 H new ATOM 403 N ASP A 27 14.871 3.570 1.402 1.00 0.00 N ATOM 404 CA ASP A 27 15.446 4.474 2.384 1.00 0.00 C ATOM 405 C ASP A 27 15.290 3.850 3.761 1.00 0.00 C ATOM 406 O ASP A 27 16.146 3.999 4.634 1.00 0.00 O ATOM 407 CB ASP A 27 14.753 5.838 2.335 1.00 0.00 C ATOM 408 CG ASP A 27 15.299 6.801 3.372 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.428 6.575 3.855 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.598 7.781 3.699 1.00 0.00 O ATOM 0 H ASP A 27 14.159 3.991 0.805 1.00 0.00 H new ATOM 0 HA ASP A 27 16.502 4.631 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.876 6.270 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.683 5.705 2.494 1.00 0.00 H new ATOM 415 N THR A 28 14.193 3.114 3.925 1.00 0.00 N ATOM 416 CA THR A 28 13.908 2.414 5.167 1.00 0.00 C ATOM 417 C THR A 28 14.564 1.041 5.123 1.00 0.00 C ATOM 418 O THR A 28 15.343 0.681 6.004 1.00 0.00 O ATOM 419 CB THR A 28 12.395 2.275 5.371 1.00 0.00 C ATOM 420 OG1 THR A 28 12.049 2.487 6.728 1.00 0.00 O ATOM 421 CG2 THR A 28 11.854 0.921 4.964 1.00 0.00 C ATOM 0 H THR A 28 13.483 2.989 3.203 1.00 0.00 H new ATOM 0 HA THR A 28 14.310 2.985 6.004 1.00 0.00 H new ATOM 0 HB THR A 28 11.949 3.033 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.079 2.396 6.836 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.778 0.893 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.058 0.750 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.336 0.143 5.557 1.00 0.00 H new ATOM 429 N GLY A 29 14.255 0.288 4.069 1.00 0.00 N ATOM 430 CA GLY A 29 14.839 -1.030 3.903 1.00 0.00 C ATOM 431 C GLY A 29 14.127 -2.097 4.705 1.00 0.00 C ATOM 432 O GLY A 29 14.566 -2.461 5.795 1.00 0.00 O ATOM 0 H GLY A 29 13.611 0.568 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.817 -1.301 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.887 -0.997 4.202 1.00 0.00 H new ATOM 436 N LYS A 30 13.025 -2.601 4.165 1.00 0.00 N ATOM 437 CA LYS A 30 12.253 -3.634 4.840 1.00 0.00 C ATOM 438 C LYS A 30 11.649 -4.606 3.838 1.00 0.00 C ATOM 439 O LYS A 30 11.211 -4.207 2.760 1.00 0.00 O ATOM 440 CB LYS A 30 11.130 -3.004 5.655 1.00 0.00 C ATOM 441 CG LYS A 30 11.536 -1.721 6.352 1.00 0.00 C ATOM 442 CD LYS A 30 10.328 -0.930 6.821 1.00 0.00 C ATOM 443 CE LYS A 30 9.231 -0.900 5.764 1.00 0.00 C ATOM 444 NZ LYS A 30 7.941 -0.393 6.312 1.00 0.00 N ATOM 0 H LYS A 30 12.647 -2.311 3.263 1.00 0.00 H new ATOM 0 HA LYS A 30 12.930 -4.177 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.285 -2.799 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.787 -3.721 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.171 -1.956 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.130 -1.110 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.938 -1.371 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.631 0.089 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.545 -0.268 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.086 -1.903 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.205 -0.453 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.661 -0.969 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.055 0.597 6.608 1.00 0.00 H new ATOM 458 N GLU A 31 11.602 -5.876 4.209 1.00 0.00 N ATOM 459 CA GLU A 31 11.019 -6.888 3.346 1.00 0.00 C ATOM 460 C GLU A 31 9.503 -6.778 3.402 1.00 0.00 C ATOM 461 O GLU A 31 8.883 -7.090 4.419 1.00 0.00 O ATOM 462 CB GLU A 31 11.464 -8.287 3.780 1.00 0.00 C ATOM 463 CG GLU A 31 10.853 -9.404 2.950 1.00 0.00 C ATOM 464 CD GLU A 31 11.465 -10.757 3.253 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.143 -10.883 4.294 1.00 0.00 O ATOM 466 OE2 GLU A 31 11.269 -11.692 2.447 1.00 0.00 O ATOM 0 H GLU A 31 11.959 -6.228 5.097 1.00 0.00 H new ATOM 0 HA GLU A 31 11.360 -6.726 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.550 -8.350 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.198 -8.436 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.780 -9.445 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.984 -9.179 1.892 1.00 0.00 H new ATOM 473 N GLY A 32 8.914 -6.308 2.313 1.00 0.00 N ATOM 474 CA GLY A 32 7.481 -6.135 2.265 1.00 0.00 C ATOM 475 C GLY A 32 7.076 -4.753 2.731 1.00 0.00 C ATOM 476 O GLY A 32 5.926 -4.528 3.107 1.00 0.00 O ATOM 0 H GLY A 32 9.406 -6.043 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.127 -6.295 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.001 -6.887 2.891 1.00 0.00 H new ATOM 480 N ALA A 33 8.026 -3.818 2.695 1.00 0.00 N ATOM 481 CA ALA A 33 7.759 -2.446 3.107 1.00 0.00 C ATOM 482 C ALA A 33 6.466 -1.959 2.467 1.00 0.00 C ATOM 483 O ALA A 33 6.387 -1.835 1.244 1.00 0.00 O ATOM 484 CB ALA A 33 8.917 -1.548 2.707 1.00 0.00 C ATOM 0 H ALA A 33 8.983 -3.988 2.385 1.00 0.00 H new ATOM 0 HA ALA A 33 7.651 -2.412 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.708 -0.525 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.830 -1.896 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.044 -1.579 1.625 1.00 0.00 H new ATOM 490 N PHE A 34 5.445 -1.705 3.280 1.00 0.00 N ATOM 491 CA PHE A 34 4.161 -1.259 2.744 1.00 0.00 C ATOM 492 C PHE A 34 3.941 0.238 2.909 1.00 0.00 C ATOM 493 O PHE A 34 4.177 0.804 3.970 1.00 0.00 O ATOM 494 CB PHE A 34 3.003 -2.001 3.396 1.00 0.00 C ATOM 495 CG PHE A 34 1.705 -1.289 3.187 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.288 -0.986 1.909 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.912 -0.908 4.249 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.107 -0.314 1.692 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.261 -0.239 4.038 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.670 0.063 2.761 1.00 0.00 C ATOM 0 H PHE A 34 5.478 -1.798 4.295 1.00 0.00 H new ATOM 0 HA PHE A 34 4.192 -1.484 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.937 -3.008 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.193 -2.106 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.896 -1.280 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.221 -1.141 5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.208 -0.084 0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.870 0.054 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.597 0.593 2.599 1.00 0.00 H new ATOM 510 N MET A 35 3.463 0.867 1.845 1.00 0.00 N ATOM 511 CA MET A 35 3.180 2.294 1.859 1.00 0.00 C ATOM 512 C MET A 35 1.918 2.586 1.054 1.00 0.00 C ATOM 513 O MET A 35 1.453 1.740 0.292 1.00 0.00 O ATOM 514 CB MET A 35 4.363 3.071 1.284 1.00 0.00 C ATOM 515 CG MET A 35 4.031 4.504 0.908 1.00 0.00 C ATOM 516 SD MET A 35 3.903 5.579 2.343 1.00 0.00 S ATOM 517 CE MET A 35 5.478 5.258 3.125 1.00 0.00 C ATOM 0 H MET A 35 3.262 0.408 0.957 1.00 0.00 H new ATOM 0 HA MET A 35 3.021 2.611 2.890 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.172 3.075 2.014 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.733 2.550 0.401 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.800 4.888 0.238 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.090 4.523 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.545 5.824 4.054 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.567 4.193 3.341 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.284 5.561 2.457 1.00 0.00 H new ATOM 527 N VAL A 36 1.371 3.785 1.216 1.00 0.00 N ATOM 528 CA VAL A 36 0.171 4.176 0.488 1.00 0.00 C ATOM 529 C VAL A 36 0.226 5.643 0.102 1.00 0.00 C ATOM 530 O VAL A 36 0.848 6.454 0.788 1.00 0.00 O ATOM 531 CB VAL A 36 -1.114 3.911 1.292 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.340 4.353 0.508 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.208 2.441 1.653 1.00 0.00 C ATOM 0 H VAL A 36 1.738 4.501 1.843 1.00 0.00 H new ATOM 0 HA VAL A 36 0.142 3.560 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.076 4.494 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.237 4.157 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.271 5.420 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.391 3.800 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.121 2.264 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.226 1.843 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.345 2.158 2.255 1.00 0.00 H new ATOM 543 N ARG A 37 -0.414 5.979 -1.009 1.00 0.00 N ATOM 544 CA ARG A 37 -0.419 7.349 -1.489 1.00 0.00 C ATOM 545 C ARG A 37 -1.742 7.690 -2.166 1.00 0.00 C ATOM 546 O ARG A 37 -2.253 6.926 -2.984 1.00 0.00 O ATOM 547 CB ARG A 37 0.754 7.555 -2.445 1.00 0.00 C ATOM 548 CG ARG A 37 0.359 7.648 -3.906 1.00 0.00 C ATOM 549 CD ARG A 37 1.224 6.730 -4.751 1.00 0.00 C ATOM 550 NE ARG A 37 1.320 7.171 -6.141 1.00 0.00 N ATOM 551 CZ ARG A 37 0.273 7.504 -6.892 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.956 7.424 -6.402 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.456 7.910 -8.142 1.00 0.00 N ATOM 0 H ARG A 37 -0.934 5.323 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.308 8.022 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.281 8.467 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.457 6.731 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.690 7.378 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.464 8.676 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.224 6.680 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.813 5.721 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 37 2.247 7.227 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.103 7.106 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.754 7.681 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.399 7.967 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.346 8.165 -8.718 1.00 0.00 H new ATOM 567 N ASP A 38 -2.298 8.840 -1.800 1.00 0.00 N ATOM 568 CA ASP A 38 -3.571 9.290 -2.350 1.00 0.00 C ATOM 569 C ASP A 38 -3.518 9.403 -3.868 1.00 0.00 C ATOM 570 O ASP A 38 -2.472 9.702 -4.446 1.00 0.00 O ATOM 571 CB ASP A 38 -3.969 10.636 -1.743 1.00 0.00 C ATOM 572 CG ASP A 38 -5.452 10.918 -1.883 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.206 9.980 -2.217 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.859 12.077 -1.659 1.00 0.00 O ATOM 0 H ASP A 38 -1.885 9.480 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.321 8.542 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.698 10.650 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.403 11.432 -2.228 1.00 0.00 H new ATOM 579 N SER A 39 -4.658 9.160 -4.505 1.00 0.00 N ATOM 580 CA SER A 39 -4.758 9.229 -5.955 1.00 0.00 C ATOM 581 C SER A 39 -6.107 9.801 -6.382 1.00 0.00 C ATOM 582 O SER A 39 -7.124 9.569 -5.729 1.00 0.00 O ATOM 583 CB SER A 39 -4.577 7.836 -6.555 1.00 0.00 C ATOM 584 OG SER A 39 -3.220 7.430 -6.506 1.00 0.00 O ATOM 0 H SER A 39 -5.529 8.912 -4.036 1.00 0.00 H new ATOM 0 HA SER A 39 -3.971 9.889 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.194 7.120 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.923 7.834 -7.589 1.00 0.00 H new ATOM 0 HG SER A 39 -3.014 7.083 -5.613 1.00 0.00 H new ATOM 590 N ARG A 40 -6.111 10.541 -7.485 1.00 0.00 N ATOM 591 CA ARG A 40 -7.338 11.134 -8.001 1.00 0.00 C ATOM 592 C ARG A 40 -8.233 10.059 -8.608 1.00 0.00 C ATOM 593 O ARG A 40 -9.289 10.354 -9.169 1.00 0.00 O ATOM 594 CB ARG A 40 -7.017 12.201 -9.049 1.00 0.00 C ATOM 595 CG ARG A 40 -5.789 13.032 -8.715 1.00 0.00 C ATOM 596 CD ARG A 40 -6.137 14.198 -7.804 1.00 0.00 C ATOM 597 NE ARG A 40 -7.208 15.022 -8.355 1.00 0.00 N ATOM 598 CZ ARG A 40 -7.048 15.843 -9.388 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.865 15.948 -9.978 1.00 0.00 N ATOM 600 NH2 ARG A 40 -8.071 16.560 -9.833 1.00 0.00 N ATOM 0 H ARG A 40 -5.279 10.744 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.866 11.605 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.866 11.717 -10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.876 12.864 -9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.042 12.402 -8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.342 13.408 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.438 13.818 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.251 14.813 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.130 14.965 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.076 15.398 -9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.745 16.579 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.983 16.482 -9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.946 17.189 -10.626 1.00 0.00 H new ATOM 614 N THR A 41 -7.797 8.811 -8.488 1.00 0.00 N ATOM 615 CA THR A 41 -8.543 7.676 -9.019 1.00 0.00 C ATOM 616 C THR A 41 -9.991 7.693 -8.531 1.00 0.00 C ATOM 617 O THR A 41 -10.451 8.683 -7.961 1.00 0.00 O ATOM 618 CB THR A 41 -7.858 6.371 -8.608 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.925 5.416 -9.653 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.453 5.742 -7.367 1.00 0.00 C ATOM 0 H THR A 41 -6.924 8.558 -8.024 1.00 0.00 H new ATOM 0 HA THR A 41 -8.556 7.749 -10.107 1.00 0.00 H new ATOM 0 HB THR A 41 -6.826 6.646 -8.392 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.480 4.590 -9.370 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.919 4.821 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.364 6.434 -6.530 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.505 5.517 -7.542 1.00 0.00 H new ATOM 628 N PRO A 42 -10.731 6.595 -8.758 1.00 0.00 N ATOM 629 CA PRO A 42 -12.138 6.479 -8.351 1.00 0.00 C ATOM 630 C PRO A 42 -12.387 6.873 -6.894 1.00 0.00 C ATOM 631 O PRO A 42 -13.511 6.760 -6.404 1.00 0.00 O ATOM 632 CB PRO A 42 -12.440 4.996 -8.561 1.00 0.00 C ATOM 633 CG PRO A 42 -11.516 4.580 -9.650 1.00 0.00 C ATOM 634 CD PRO A 42 -10.258 5.378 -9.446 1.00 0.00 C ATOM 0 HA PRO A 42 -12.774 7.154 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.265 4.422 -7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.481 4.839 -8.842 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.313 3.510 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.951 4.779 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.530 4.834 -8.844 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.774 5.615 -10.394 1.00 0.00 H new ATOM 642 N GLY A 43 -11.349 7.337 -6.204 1.00 0.00 N ATOM 643 CA GLY A 43 -11.512 7.735 -4.817 1.00 0.00 C ATOM 644 C GLY A 43 -10.775 6.833 -3.848 1.00 0.00 C ATOM 645 O GLY A 43 -11.051 6.845 -2.649 1.00 0.00 O ATOM 0 H GLY A 43 -10.406 7.444 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.155 8.758 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.573 7.735 -4.568 1.00 0.00 H new ATOM 649 N THR A 44 -9.837 6.048 -4.363 1.00 0.00 N ATOM 650 CA THR A 44 -9.066 5.138 -3.524 1.00 0.00 C ATOM 651 C THR A 44 -7.702 5.722 -3.181 1.00 0.00 C ATOM 652 O THR A 44 -7.450 6.911 -3.378 1.00 0.00 O ATOM 653 CB THR A 44 -8.870 3.788 -4.214 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.506 3.406 -4.173 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.300 3.767 -5.665 1.00 0.00 C ATOM 0 H THR A 44 -9.592 6.023 -5.353 1.00 0.00 H new ATOM 0 HA THR A 44 -9.634 4.995 -2.605 1.00 0.00 H new ATOM 0 HB THR A 44 -9.505 3.096 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.290 2.880 -4.971 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.128 2.774 -6.081 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.360 4.011 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.722 4.501 -6.227 1.00 0.00 H new ATOM 663 N TYR A 45 -6.826 4.864 -2.673 1.00 0.00 N ATOM 664 CA TYR A 45 -5.479 5.267 -2.305 1.00 0.00 C ATOM 665 C TYR A 45 -4.449 4.333 -2.935 1.00 0.00 C ATOM 666 O TYR A 45 -4.769 3.207 -3.322 1.00 0.00 O ATOM 667 CB TYR A 45 -5.321 5.280 -0.785 1.00 0.00 C ATOM 668 CG TYR A 45 -6.397 6.071 -0.081 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.700 5.603 -0.037 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.112 7.283 0.535 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.694 6.317 0.600 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.101 8.005 1.177 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.390 7.517 1.207 1.00 0.00 C ATOM 674 OH TYR A 45 -9.378 8.233 1.844 1.00 0.00 O ATOM 0 H TYR A 45 -7.029 3.878 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.309 6.276 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.333 4.254 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.347 5.698 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.942 4.663 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.103 7.667 0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.705 5.938 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.865 8.946 1.652 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.997 9.054 2.220 1.00 0.00 H new ATOM 684 N THR A 46 -3.214 4.807 -3.044 1.00 0.00 N ATOM 685 CA THR A 46 -2.137 4.019 -3.633 1.00 0.00 C ATOM 686 C THR A 46 -1.331 3.310 -2.545 1.00 0.00 C ATOM 687 O THR A 46 -1.211 3.819 -1.434 1.00 0.00 O ATOM 688 CB THR A 46 -1.230 4.925 -4.462 1.00 0.00 C ATOM 689 OG1 THR A 46 -2.003 5.807 -5.257 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.307 4.164 -5.388 1.00 0.00 C ATOM 0 H THR A 46 -2.932 5.736 -2.731 1.00 0.00 H new ATOM 0 HA THR A 46 -2.572 3.259 -4.283 1.00 0.00 H new ATOM 0 HB THR A 46 -0.622 5.469 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.078 5.448 -6.166 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.309 4.868 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.335 3.506 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.899 3.569 -6.083 1.00 0.00 H new ATOM 698 N VAL A 47 -0.779 2.134 -2.861 1.00 0.00 N ATOM 699 CA VAL A 47 0.010 1.378 -1.891 1.00 0.00 C ATOM 700 C VAL A 47 1.427 1.150 -2.385 1.00 0.00 C ATOM 701 O VAL A 47 1.653 0.424 -3.352 1.00 0.00 O ATOM 702 CB VAL A 47 -0.616 0.007 -1.563 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.404 -0.889 -0.861 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.865 0.179 -0.711 1.00 0.00 C ATOM 0 H VAL A 47 -0.865 1.690 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 47 0.024 1.986 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.908 -0.474 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.052 -1.853 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.266 -1.039 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.727 -0.415 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.292 -0.799 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.603 0.680 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.595 0.780 -1.253 1.00 0.00 H new ATOM 714 N SER A 48 2.380 1.758 -1.703 1.00 0.00 N ATOM 715 CA SER A 48 3.780 1.612 -2.053 1.00 0.00 C ATOM 716 C SER A 48 4.379 0.435 -1.290 1.00 0.00 C ATOM 717 O SER A 48 4.441 0.453 -0.060 1.00 0.00 O ATOM 718 CB SER A 48 4.545 2.900 -1.731 1.00 0.00 C ATOM 719 OG SER A 48 5.809 2.616 -1.165 1.00 0.00 O ATOM 0 H SER A 48 2.208 2.361 -0.899 1.00 0.00 H new ATOM 0 HA SER A 48 3.862 1.421 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.674 3.486 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.963 3.509 -1.040 1.00 0.00 H new ATOM 0 HG SER A 48 6.488 2.600 -1.872 1.00 0.00 H new ATOM 725 N VAL A 49 4.805 -0.591 -2.016 1.00 0.00 N ATOM 726 CA VAL A 49 5.384 -1.771 -1.386 1.00 0.00 C ATOM 727 C VAL A 49 6.856 -1.929 -1.749 1.00 0.00 C ATOM 728 O VAL A 49 7.247 -1.742 -2.905 1.00 0.00 O ATOM 729 CB VAL A 49 4.625 -3.046 -1.787 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.153 -2.932 -1.416 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.792 -3.312 -3.273 1.00 0.00 C ATOM 0 H VAL A 49 4.761 -0.631 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 49 5.298 -1.628 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 49 5.045 -3.889 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.633 -3.844 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.059 -2.789 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.712 -2.081 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.250 -4.218 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.397 -2.469 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.850 -3.440 -3.503 1.00 0.00 H new ATOM 741 N PHE A 50 7.668 -2.270 -0.750 1.00 0.00 N ATOM 742 CA PHE A 50 9.104 -2.449 -0.949 1.00 0.00 C ATOM 743 C PHE A 50 9.586 -3.756 -0.326 1.00 0.00 C ATOM 744 O PHE A 50 9.231 -4.085 0.810 1.00 0.00 O ATOM 745 CB PHE A 50 9.866 -1.269 -0.348 1.00 0.00 C ATOM 746 CG PHE A 50 11.322 -1.534 -0.099 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.715 -2.611 0.679 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.299 -0.709 -0.648 1.00 0.00 C ATOM 749 CE1 PHE A 50 13.050 -2.862 0.909 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.634 -0.960 -0.422 1.00 0.00 C ATOM 751 CZ PHE A 50 14.011 -2.036 0.356 1.00 0.00 C ATOM 0 H PHE A 50 7.354 -2.428 0.208 1.00 0.00 H new ATOM 0 HA PHE A 50 9.297 -2.493 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.774 -0.414 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.394 -0.989 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.967 -3.260 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.008 0.135 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.345 -3.702 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.386 -0.315 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.058 -2.233 0.533 1.00 0.00 H new ATOM 761 N THR A 51 10.397 -4.498 -1.079 1.00 0.00 N ATOM 762 CA THR A 51 10.924 -5.771 -0.602 1.00 0.00 C ATOM 763 C THR A 51 12.404 -5.931 -0.918 1.00 0.00 C ATOM 764 O THR A 51 12.778 -6.136 -2.072 1.00 0.00 O ATOM 765 CB THR A 51 10.168 -6.931 -1.243 1.00 0.00 C ATOM 766 OG1 THR A 51 8.976 -7.215 -0.532 1.00 0.00 O ATOM 767 CG2 THR A 51 10.987 -8.202 -1.307 1.00 0.00 C ATOM 0 H THR A 51 10.701 -4.239 -2.018 1.00 0.00 H new ATOM 0 HA THR A 51 10.793 -5.780 0.480 1.00 0.00 H new ATOM 0 HB THR A 51 9.942 -6.608 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.224 -7.260 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.397 -8.992 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.887 -8.026 -1.896 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.268 -8.505 -0.298 1.00 0.00 H new ATOM 899 N CYS A 60 12.967 -4.575 -4.546 1.00 0.00 N ATOM 900 CA CYS A 60 11.939 -4.337 -5.549 1.00 0.00 C ATOM 901 C CYS A 60 10.727 -3.652 -4.931 1.00 0.00 C ATOM 902 O CYS A 60 10.125 -4.166 -3.989 1.00 0.00 O ATOM 903 CB CYS A 60 11.508 -5.651 -6.198 1.00 0.00 C ATOM 904 SG CYS A 60 12.874 -6.628 -6.869 1.00 0.00 S ATOM 0 HA CYS A 60 12.362 -3.683 -6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.975 -6.251 -5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.803 -5.433 -7.000 1.00 0.00 H new ATOM 0 HG CYS A 60 12.408 -7.722 -7.395 1.00 0.00 H new ATOM 910 N ILE A 61 10.371 -2.494 -5.472 1.00 0.00 N ATOM 911 CA ILE A 61 9.224 -1.747 -4.975 1.00 0.00 C ATOM 912 C ILE A 61 8.033 -1.913 -5.900 1.00 0.00 C ATOM 913 O ILE A 61 8.191 -2.165 -7.094 1.00 0.00 O ATOM 914 CB ILE A 61 9.521 -0.243 -4.837 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.867 -0.021 -4.144 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.397 0.443 -4.071 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.247 -1.131 -3.189 1.00 0.00 C ATOM 0 H ILE A 61 10.858 -2.053 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 61 9.000 -2.153 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 61 9.580 0.196 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.644 0.077 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.834 0.922 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.616 1.507 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.458 0.311 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.312 0.002 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.212 -0.906 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.490 -1.215 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.313 -2.073 -3.734 1.00 0.00 H new ATOM 929 N LYS A 62 6.840 -1.763 -5.347 1.00 0.00 N ATOM 930 CA LYS A 62 5.625 -1.888 -6.137 1.00 0.00 C ATOM 931 C LYS A 62 4.525 -0.997 -5.580 1.00 0.00 C ATOM 932 O LYS A 62 4.230 -1.027 -4.384 1.00 0.00 O ATOM 933 CB LYS A 62 5.153 -3.344 -6.179 1.00 0.00 C ATOM 934 CG LYS A 62 6.286 -4.359 -6.182 1.00 0.00 C ATOM 935 CD LYS A 62 6.352 -5.114 -7.500 1.00 0.00 C ATOM 936 CE LYS A 62 4.963 -5.416 -8.041 1.00 0.00 C ATOM 937 NZ LYS A 62 4.028 -5.840 -6.963 1.00 0.00 N ATOM 0 H LYS A 62 6.687 -1.556 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 62 5.851 -1.566 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.511 -3.533 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.543 -3.492 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.233 -3.849 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.146 -5.065 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.908 -4.525 -8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.899 -6.046 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.567 -4.531 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.029 -6.201 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.094 -5.413 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.940 -6.876 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.396 -5.527 -6.042 1.00 0.00 H new ATOM 951 N HIS A 63 3.926 -0.198 -6.456 1.00 0.00 N ATOM 952 CA HIS A 63 2.862 0.706 -6.057 1.00 0.00 C ATOM 953 C HIS A 63 1.496 0.076 -6.318 1.00 0.00 C ATOM 954 O HIS A 63 1.049 -0.007 -7.462 1.00 0.00 O ATOM 955 CB HIS A 63 2.983 2.026 -6.818 1.00 0.00 C ATOM 956 CG HIS A 63 4.318 2.684 -6.664 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.884 2.998 -5.448 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.208 3.086 -7.606 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.072 3.569 -5.683 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.317 3.646 -6.977 1.00 0.00 N ATOM 0 H HIS A 63 4.162 -0.160 -7.448 1.00 0.00 H new ATOM 0 HA HIS A 63 2.956 0.900 -4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.796 1.844 -7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.208 2.709 -6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.077 2.987 -8.673 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.743 3.921 -4.913 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.147 4.035 -7.424 1.00 0.00 H new ATOM 968 N TYR A 64 0.843 -0.373 -5.253 1.00 0.00 N ATOM 969 CA TYR A 64 -0.468 -1.003 -5.363 1.00 0.00 C ATOM 970 C TYR A 64 -1.581 -0.023 -5.052 1.00 0.00 C ATOM 971 O TYR A 64 -1.684 0.475 -3.933 1.00 0.00 O ATOM 972 CB TYR A 64 -0.559 -2.189 -4.410 1.00 0.00 C ATOM 973 CG TYR A 64 0.648 -3.080 -4.460 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.402 -3.178 -5.615 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.028 -3.824 -3.357 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.509 -3.999 -5.675 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.133 -4.651 -3.404 1.00 0.00 C ATOM 978 CZ TYR A 64 2.870 -4.735 -4.567 1.00 0.00 C ATOM 979 OH TYR A 64 3.972 -5.558 -4.623 1.00 0.00 O ATOM 0 H TYR A 64 1.201 -0.312 -4.300 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.587 -1.344 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.689 -1.820 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.446 -2.775 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.120 -2.602 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.452 -3.757 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.089 -4.065 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.418 -5.228 -2.537 1.00 0.00 H new ATOM 0 HH TYR A 64 3.697 -6.454 -4.908 1.00 0.00 H new ATOM 989 N HIS A 65 -2.428 0.245 -6.035 1.00 0.00 N ATOM 990 CA HIS A 65 -3.534 1.157 -5.824 1.00 0.00 C ATOM 991 C HIS A 65 -4.738 0.423 -5.278 1.00 0.00 C ATOM 992 O HIS A 65 -5.002 -0.720 -5.650 1.00 0.00 O ATOM 993 CB HIS A 65 -3.916 1.889 -7.102 1.00 0.00 C ATOM 994 CG HIS A 65 -4.305 3.294 -6.838 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.295 3.851 -5.588 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.717 4.263 -7.682 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.691 5.116 -5.703 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.962 5.422 -6.957 1.00 0.00 N ATOM 0 H HIS A 65 -2.370 -0.152 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.203 1.897 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.076 1.869 -7.797 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.742 1.368 -7.586 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.031 3.380 -4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.837 4.155 -8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.779 5.804 -4.875 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.471 1.086 -4.399 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.651 0.483 -3.813 1.00 0.00 C ATOM 1008 C ILE A 66 -7.834 0.623 -4.757 1.00 0.00 C ATOM 1009 O ILE A 66 -8.400 1.702 -4.909 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.997 1.116 -2.448 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.724 1.511 -1.697 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.817 0.150 -1.609 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.475 0.831 -2.214 1.00 0.00 C ATOM 0 H ILE A 66 -5.270 2.034 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.435 -0.573 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.587 2.015 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.593 2.591 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.847 1.271 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.053 0.611 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.742 -0.092 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.245 -0.763 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.614 1.161 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.584 -0.250 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.326 1.091 -3.262 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.206 -0.476 -5.393 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.323 -0.470 -6.322 1.00 0.00 C ATOM 1027 C LYS A 67 -10.628 -0.293 -5.563 1.00 0.00 C ATOM 1028 O LYS A 67 -10.775 -0.806 -4.454 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.350 -1.765 -7.135 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.155 -1.658 -8.420 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.428 -0.829 -9.467 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.482 0.654 -9.139 1.00 0.00 C ATOM 1033 NZ LYS A 67 -9.495 1.495 -10.368 1.00 0.00 N ATOM 0 H LYS A 67 -7.751 -1.382 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.201 0.365 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.327 -2.053 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.767 -2.562 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.347 -2.656 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.124 -1.207 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.389 -1.151 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.876 -1.003 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.373 0.863 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.622 0.922 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.447 2.499 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.676 1.254 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.372 1.320 -10.899 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.562 0.441 -6.165 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.860 0.706 -5.550 1.00 0.00 C ATOM 1049 C GLU A 68 -13.981 0.064 -6.361 1.00 0.00 C ATOM 1050 O GLU A 68 -13.993 0.145 -7.589 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.094 2.219 -5.470 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.680 2.840 -4.147 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.808 3.607 -3.487 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.970 3.161 -3.591 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -13.530 4.654 -2.866 1.00 0.00 O ATOM 0 H GLU A 68 -11.442 0.865 -7.085 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.861 0.278 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.543 2.704 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.151 2.422 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.336 2.055 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.837 3.511 -4.312 1.00 0.00 H new ATOM 1062 N THR A 69 -14.924 -0.565 -5.668 1.00 0.00 N ATOM 1063 CA THR A 69 -16.052 -1.208 -6.328 1.00 0.00 C ATOM 1064 C THR A 69 -17.310 -1.071 -5.481 1.00 0.00 C ATOM 1065 O THR A 69 -17.589 -1.909 -4.624 1.00 0.00 O ATOM 1066 CB THR A 69 -15.751 -2.686 -6.592 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.944 -3.397 -6.872 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.067 -3.377 -5.435 1.00 0.00 C ATOM 0 H THR A 69 -14.929 -0.643 -4.651 1.00 0.00 H new ATOM 0 HA THR A 69 -16.218 -0.712 -7.285 1.00 0.00 H new ATOM 0 HB THR A 69 -15.074 -2.693 -7.447 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.732 -4.339 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.884 -4.421 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.118 -2.883 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.705 -3.326 -4.553 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.204 -3.904 0.451 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.254 -4.391 -0.545 1.00 0.00 C ATOM 1129 C LYS A 74 -16.102 -3.411 -1.700 1.00 0.00 C ATOM 1130 O LYS A 74 -16.473 -3.709 -2.834 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.693 -5.760 -1.068 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.119 -6.720 0.030 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.628 -6.890 0.066 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.115 -7.757 -1.083 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.675 -9.051 -0.604 1.00 0.00 N ATOM 0 HA LYS A 74 -15.283 -4.487 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.521 -5.626 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.873 -6.205 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.646 -7.689 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.770 -6.350 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.923 -7.340 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.107 -5.912 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.877 -7.218 -1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.289 -7.950 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.996 -9.613 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.941 -9.577 -0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.480 -8.868 0.029 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.543 -2.244 -1.405 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.331 -1.222 -2.418 1.00 0.00 C ATOM 1151 C ARG A 75 -13.881 -1.189 -2.872 1.00 0.00 C ATOM 1152 O ARG A 75 -13.587 -1.280 -4.062 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.704 0.154 -1.880 1.00 0.00 C ATOM 1154 CG ARG A 75 -17.159 0.517 -2.097 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.543 1.759 -1.311 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.192 1.641 0.101 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.920 2.153 1.087 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -19.036 2.816 0.814 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.534 2.003 2.347 1.00 0.00 N ATOM 0 H ARG A 75 -15.228 -1.983 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.968 -1.473 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.485 0.189 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.076 0.905 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.339 0.686 -3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.793 -0.317 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.042 2.628 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.615 1.931 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.339 1.137 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -19.336 2.933 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.594 3.209 1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.676 1.494 2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.095 2.397 3.102 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.977 -1.018 -1.914 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.558 -0.922 -2.221 1.00 0.00 C ATOM 1175 C TYR A 76 -10.882 -2.287 -2.292 1.00 0.00 C ATOM 1176 O TYR A 76 -11.281 -3.226 -1.607 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.876 -0.035 -1.187 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.725 1.149 -0.811 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.904 1.404 -1.491 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.357 2.001 0.214 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.699 2.474 -1.162 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.148 3.083 0.555 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.320 3.315 -0.136 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.112 4.390 0.197 1.00 0.00 O ATOM 0 H TYR A 76 -13.202 -0.943 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.459 -0.477 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.656 -0.621 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.922 0.314 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.204 0.749 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.440 1.819 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.616 2.656 -1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.850 3.742 1.357 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.703 4.880 0.941 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.850 -2.374 -3.131 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.089 -3.621 -3.320 1.00 0.00 C ATOM 1196 C TYR A 77 -7.980 -3.433 -4.355 1.00 0.00 C ATOM 1197 O TYR A 77 -8.113 -2.631 -5.275 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.007 -4.756 -3.777 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.346 -4.688 -5.246 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.265 -3.755 -5.708 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.745 -5.541 -6.173 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.583 -3.665 -7.048 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.064 -5.452 -7.519 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.981 -4.515 -7.948 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.296 -4.429 -9.284 1.00 0.00 O ATOM 0 H TYR A 77 -9.516 -1.594 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.645 -3.879 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.527 -5.711 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.929 -4.726 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.740 -3.087 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.027 -6.275 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.300 -2.932 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.595 -6.115 -8.231 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.114 -3.901 -9.394 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.892 -4.189 -4.216 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.779 -4.099 -5.157 1.00 0.00 C ATOM 1217 C VAL A 78 -5.376 -5.468 -5.678 1.00 0.00 C ATOM 1218 O VAL A 78 -4.460 -6.092 -5.149 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.536 -3.446 -4.532 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.905 -2.166 -3.807 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.834 -4.418 -3.599 1.00 0.00 C ATOM 0 H VAL A 78 -6.759 -4.867 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.140 -3.477 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.845 -3.188 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.009 -1.722 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.352 -1.465 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.619 -2.390 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.957 -3.938 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.516 -4.714 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.525 -5.301 -4.159 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.058 -5.916 -6.722 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.771 -7.207 -7.336 1.00 0.00 C ATOM 1233 C ALA A 79 -7.033 -8.045 -7.464 1.00 0.00 C ATOM 1234 O ALA A 79 -6.996 -9.251 -7.217 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.735 -7.984 -6.528 1.00 0.00 C ATOM 0 H ALA A 79 -6.819 -5.402 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.371 -7.006 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.541 -8.942 -7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.810 -7.411 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.113 -8.155 -5.520 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.157 -7.421 -7.819 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.401 -8.174 -7.919 1.00 0.00 C ATOM 1243 C GLU A 80 -9.304 -9.300 -6.914 1.00 0.00 C ATOM 1244 O GLU A 80 -9.747 -10.425 -7.144 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.597 -8.725 -9.333 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.779 -7.643 -10.384 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.820 -7.795 -11.549 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.915 -8.812 -12.267 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.975 -6.896 -11.743 1.00 0.00 O ATOM 0 H GLU A 80 -8.230 -6.427 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.259 -7.535 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.735 -9.337 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.468 -9.380 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.803 -7.671 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.633 -6.666 -9.923 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.645 -8.965 -5.815 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.369 -9.897 -4.745 1.00 0.00 C ATOM 1258 C LYS A 81 -9.378 -9.795 -3.602 1.00 0.00 C ATOM 1259 O LYS A 81 -10.197 -10.693 -3.407 1.00 0.00 O ATOM 1260 CB LYS A 81 -6.939 -9.631 -4.259 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.734 -8.287 -3.567 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.278 -7.837 -3.622 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.360 -8.750 -2.820 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.398 -10.156 -3.305 1.00 0.00 N ATOM 0 H LYS A 81 -8.285 -8.026 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.463 -10.917 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.652 -10.425 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.264 -9.690 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.365 -7.535 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.052 -8.361 -2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.946 -7.813 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.200 -6.820 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.338 -8.376 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.651 -8.722 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.438 -10.555 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.017 -10.719 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.765 -10.178 -4.278 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.309 -8.708 -2.847 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.206 -8.497 -1.724 1.00 0.00 C ATOM 1280 C TYR A 82 -10.625 -7.040 -1.666 1.00 0.00 C ATOM 1281 O TYR A 82 -9.783 -6.143 -1.710 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.529 -8.879 -0.403 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.580 -10.054 -0.493 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.767 -10.249 -1.602 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.493 -10.967 0.548 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.898 -11.318 -1.675 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.626 -12.039 0.487 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.829 -12.211 -0.626 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.964 -13.279 -0.692 1.00 0.00 O ATOM 0 H TYR A 82 -8.636 -7.956 -2.995 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.082 -9.130 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.980 -8.015 -0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.301 -9.109 0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.816 -9.550 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.115 -10.837 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.276 -11.455 -2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.572 -12.740 1.307 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.426 -13.315 0.126 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.922 -6.800 -1.569 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.417 -5.439 -1.509 1.00 0.00 C ATOM 1301 C VAL A 83 -12.867 -5.069 -0.107 1.00 0.00 C ATOM 1302 O VAL A 83 -13.414 -5.892 0.624 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.572 -5.205 -2.489 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.680 -3.728 -2.823 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.381 -6.034 -3.749 1.00 0.00 C ATOM 0 H VAL A 83 -12.642 -7.521 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.582 -4.799 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.502 -5.522 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.503 -3.572 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.864 -3.161 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.750 -3.389 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.211 -5.854 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.446 -5.751 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.349 -7.092 -3.487 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.630 -3.816 0.255 1.00 0.00 N ATOM 1316 CA PHE A 84 -13.006 -3.318 1.568 1.00 0.00 C ATOM 1317 C PHE A 84 -13.595 -1.917 1.464 1.00 0.00 C ATOM 1318 O PHE A 84 -13.849 -1.417 0.367 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.796 -3.319 2.504 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.050 -4.625 2.507 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.133 -4.913 1.510 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.272 -5.564 3.501 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.451 -6.115 1.502 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.591 -6.769 3.500 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.680 -7.046 2.497 1.00 0.00 C ATOM 0 H PHE A 84 -12.178 -3.125 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.767 -3.980 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.116 -2.520 2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.129 -3.096 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.949 -4.190 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.984 -5.354 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.739 -6.327 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.771 -7.492 4.282 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.149 -7.987 2.491 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.816 -1.290 2.614 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.387 0.049 2.655 1.00 0.00 C ATOM 1337 C ASP A 85 -13.316 1.103 2.912 1.00 0.00 C ATOM 1338 O ASP A 85 -13.628 2.284 3.064 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.467 0.130 3.735 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.514 1.489 4.404 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.710 2.496 3.690 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.353 1.548 5.641 1.00 0.00 O ATOM 0 H ASP A 85 -13.608 -1.688 3.530 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.834 0.250 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.438 -0.087 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.282 -0.636 4.488 1.00 0.00 H new ATOM 1347 N SER A 86 -12.058 0.680 2.958 1.00 0.00 N ATOM 1348 CA SER A 86 -10.965 1.615 3.198 1.00 0.00 C ATOM 1349 C SER A 86 -9.597 0.948 3.067 1.00 0.00 C ATOM 1350 O SER A 86 -9.435 -0.263 3.302 1.00 0.00 O ATOM 1351 CB SER A 86 -11.105 2.253 4.581 1.00 0.00 C ATOM 1352 OG SER A 86 -11.158 3.666 4.486 1.00 0.00 O ATOM 0 H SER A 86 -11.772 -0.291 2.834 1.00 0.00 H new ATOM 0 HA SER A 86 -11.029 2.388 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.009 1.884 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.263 1.959 5.208 1.00 0.00 H new ATOM 0 HG SER A 86 -11.249 4.051 5.383 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.610 1.760 2.698 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.249 1.283 2.536 1.00 0.00 C ATOM 1360 C ILE A 87 -6.776 0.567 3.793 1.00 0.00 C ATOM 1361 O ILE A 87 -6.201 -0.511 3.717 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.269 2.432 2.232 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.494 3.002 0.828 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.837 1.942 2.374 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.829 2.645 0.219 1.00 0.00 C ATOM 0 H ILE A 87 -8.733 2.754 2.506 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.259 0.594 1.692 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.451 3.231 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.406 4.088 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.701 2.644 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.150 2.760 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.672 1.589 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.661 1.125 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.906 3.088 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.915 1.561 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.631 3.028 0.850 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.005 1.158 4.978 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.579 0.556 6.238 1.00 0.00 C ATOM 1379 C PRO A 88 -7.067 -0.876 6.371 1.00 0.00 C ATOM 1380 O PRO A 88 -6.280 -1.775 6.659 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.205 1.445 7.316 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.164 2.344 6.600 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.677 2.446 5.183 1.00 0.00 C ATOM 0 HA PRO A 88 -5.493 0.503 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.719 0.845 8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.442 2.023 7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.175 1.938 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.199 3.327 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.499 2.590 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.994 3.285 5.049 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.351 -1.105 6.114 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.872 -2.460 6.165 1.00 0.00 C ATOM 1393 C LEU A 89 -8.271 -3.214 4.998 1.00 0.00 C ATOM 1394 O LEU A 89 -7.687 -4.294 5.161 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.401 -2.492 6.085 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.100 -1.152 6.296 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.111 -0.356 5.004 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.517 -1.372 6.802 1.00 0.00 C ATOM 0 H LEU A 89 -9.034 -0.386 5.874 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.603 -2.919 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.688 -2.881 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.771 -3.196 6.830 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.551 -0.583 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.613 0.598 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.086 -0.176 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.642 -0.917 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.005 -0.408 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.078 -1.955 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.486 -1.910 7.749 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.372 -2.599 3.818 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.794 -3.178 2.622 1.00 0.00 C ATOM 1412 C LEU A 90 -6.332 -3.502 2.895 1.00 0.00 C ATOM 1413 O LEU A 90 -5.813 -4.532 2.467 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.917 -2.201 1.452 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.593 -2.786 0.079 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.664 -2.394 -0.926 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.223 -2.320 -0.390 1.00 0.00 C ATOM 0 H LEU A 90 -8.846 -1.708 3.674 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.326 -4.091 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.934 -1.810 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.254 -1.355 1.634 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.575 -3.873 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.421 -2.817 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.630 -2.775 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.710 -1.308 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.009 -2.747 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.212 -1.232 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.464 -2.647 0.321 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.686 -2.612 3.644 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.294 -2.787 4.024 1.00 0.00 C ATOM 1431 C ILE A 91 -4.192 -3.755 5.191 1.00 0.00 C ATOM 1432 O ILE A 91 -3.391 -4.689 5.175 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.633 -1.457 4.433 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.729 -0.436 3.300 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.179 -1.695 4.808 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.000 -0.864 2.053 1.00 0.00 C ATOM 0 H ILE A 91 -6.112 -1.757 4.000 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.772 -3.179 3.151 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.162 -1.057 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.779 -0.267 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.323 0.516 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.718 -0.750 5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.128 -2.393 5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.647 -2.113 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.107 -0.096 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.943 -1.006 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.422 -1.801 1.688 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.026 -3.526 6.202 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.044 -4.381 7.376 1.00 0.00 C ATOM 1450 C GLN A 92 -5.171 -5.825 6.937 1.00 0.00 C ATOM 1451 O GLN A 92 -4.521 -6.714 7.484 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.206 -4.003 8.299 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.952 -2.746 9.114 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.480 -2.390 9.191 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.840 -2.568 10.227 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.937 -1.880 8.092 1.00 0.00 N ATOM 0 H GLN A 92 -5.695 -2.756 6.228 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.115 -4.249 7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.105 -3.861 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.404 -4.832 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.501 -1.914 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.342 -2.886 10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.506 -1.750 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.951 -1.618 8.084 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.998 -6.048 5.922 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.183 -7.386 5.388 1.00 0.00 C ATOM 1467 C TYR A 93 -4.960 -7.795 4.570 1.00 0.00 C ATOM 1468 O TYR A 93 -4.576 -8.964 4.549 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.430 -7.449 4.512 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.115 -7.777 3.074 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.850 -9.082 2.682 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.071 -6.779 2.112 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.551 -9.383 1.369 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.774 -7.073 0.796 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.515 -8.375 0.431 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.216 -8.670 -0.876 1.00 0.00 O ATOM 0 H TYR A 93 -6.546 -5.324 5.457 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.308 -8.075 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.112 -8.200 4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.949 -6.492 4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.878 -9.874 3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.272 -5.757 2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.346 -10.403 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.745 -6.286 0.057 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.646 -9.514 -1.127 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.342 -6.818 3.906 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.164 -7.074 3.105 1.00 0.00 C ATOM 1488 C HIS A 94 -1.963 -7.314 4.007 1.00 0.00 C ATOM 1489 O HIS A 94 -0.970 -7.907 3.593 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.905 -5.889 2.190 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.769 -5.827 0.984 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.020 -6.905 0.171 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.436 -4.782 0.448 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.804 -6.527 -0.819 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -5.073 -5.243 -0.675 1.00 0.00 N ATOM 0 H HIS A 94 -4.645 -5.844 3.913 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.327 -7.965 2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.039 -4.971 2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.863 -5.916 1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.463 -3.773 0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.166 -7.162 -1.615 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.658 -4.685 -1.297 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.069 -6.843 5.247 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.998 -6.998 6.223 1.00 0.00 C ATOM 1506 C GLN A 95 -1.023 -8.385 6.858 1.00 0.00 C ATOM 1507 O GLN A 95 0.005 -9.057 6.945 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.129 -5.940 7.324 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.795 -4.530 6.868 1.00 0.00 C ATOM 1510 CD GLN A 95 -1.403 -3.470 7.763 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -2.330 -3.740 8.526 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.881 -2.251 7.674 1.00 0.00 N ATOM 0 H GLN A 95 -2.889 -6.349 5.599 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.052 -6.871 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.149 -5.955 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.473 -6.208 8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.288 -4.406 6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.152 -4.388 5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.113 -2.071 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.249 -1.495 8.252 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.200 -8.798 7.320 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.357 -10.087 7.970 1.00 0.00 C ATOM 1523 C TYR A 96 -3.318 -10.996 7.208 1.00 0.00 C ATOM 1524 O TYR A 96 -2.924 -12.052 6.714 1.00 0.00 O ATOM 1525 CB TYR A 96 -2.863 -9.870 9.389 1.00 0.00 C ATOM 1526 CG TYR A 96 -4.319 -10.200 9.548 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -4.760 -11.505 9.428 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -5.251 -9.207 9.808 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -6.097 -11.819 9.563 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -6.589 -9.508 9.946 1.00 0.00 C ATOM 1531 CZ TYR A 96 -7.010 -10.817 9.823 1.00 0.00 C ATOM 1532 OH TYR A 96 -8.344 -11.124 9.958 1.00 0.00 O ATOM 0 H TYR A 96 -3.060 -8.253 7.254 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.386 -10.582 7.986 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.280 -10.484 10.075 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.698 -8.831 9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.047 -12.291 9.226 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.924 -8.182 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.427 -12.843 9.466 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.304 -8.724 10.149 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.851 -10.305 10.139 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.582 -10.589 7.125 1.00 0.00 N ATOM 1543 CA ASN A 97 -5.593 -11.383 6.434 1.00 0.00 C ATOM 1544 C ASN A 97 -4.945 -12.379 5.479 1.00 0.00 C ATOM 1545 O ASN A 97 -4.435 -13.416 5.903 1.00 0.00 O ATOM 1546 CB ASN A 97 -6.561 -10.475 5.672 1.00 0.00 C ATOM 1547 CG ASN A 97 -7.785 -10.119 6.492 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -8.908 -10.483 6.143 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.572 -9.403 7.590 1.00 0.00 N ATOM 0 H ASN A 97 -4.929 -9.718 7.526 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.153 -11.941 7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.044 -9.561 5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.874 -10.971 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.357 -9.133 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.624 -9.123 7.840 1.00 0.00 H new ATOM 1556 N GLY A 98 -4.968 -12.062 4.190 1.00 0.00 N ATOM 1557 CA GLY A 98 -4.378 -12.946 3.201 1.00 0.00 C ATOM 1558 C GLY A 98 -4.349 -12.333 1.815 1.00 0.00 C ATOM 1559 O GLY A 98 -4.414 -13.045 0.813 1.00 0.00 O ATOM 0 H GLY A 98 -5.384 -11.211 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.362 -13.198 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.942 -13.878 3.170 1.00 0.00 H new ATOM 1563 N GLY A 99 -4.251 -11.010 1.756 1.00 0.00 N ATOM 1564 CA GLY A 99 -4.216 -10.327 0.477 1.00 0.00 C ATOM 1565 C GLY A 99 -2.844 -10.370 -0.166 1.00 0.00 C ATOM 1566 O GLY A 99 -1.947 -9.620 0.218 1.00 0.00 O ATOM 0 H GLY A 99 -4.195 -10.399 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.943 -10.783 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.517 -9.288 0.615 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.681 -11.252 -1.147 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.406 -11.376 -1.830 1.00 0.00 C ATOM 1572 C GLY A 100 -0.515 -10.168 -1.619 1.00 0.00 C ATOM 1573 O GLY A 100 0.257 -10.119 -0.661 1.00 0.00 O ATOM 0 H GLY A 100 -3.409 -11.883 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.892 -12.269 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.581 -11.513 -2.897 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.623 -9.192 -2.513 1.00 0.00 N ATOM 1578 CA LEU A 101 0.180 -7.978 -2.420 1.00 0.00 C ATOM 1579 C LEU A 101 1.662 -8.316 -2.284 1.00 0.00 C ATOM 1580 O LEU A 101 2.028 -9.280 -1.614 1.00 0.00 O ATOM 1581 CB LEU A 101 -0.276 -7.131 -1.229 1.00 0.00 C ATOM 1582 CG LEU A 101 -1.014 -5.844 -1.595 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.456 -6.147 -1.984 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.956 -4.860 -0.434 1.00 0.00 C ATOM 0 H LEU A 101 -1.259 -9.217 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 101 0.040 -7.406 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.926 -7.738 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.598 -6.873 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.524 -5.389 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.966 -5.219 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.468 -6.818 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.967 -6.621 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.485 -3.946 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.426 -5.304 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.084 -4.624 -0.209 1.00 0.00 H new ATOM 1596 N VAL A 102 2.508 -7.515 -2.929 1.00 0.00 N ATOM 1597 CA VAL A 102 3.953 -7.724 -2.885 1.00 0.00 C ATOM 1598 C VAL A 102 4.322 -8.810 -1.886 1.00 0.00 C ATOM 1599 O VAL A 102 4.974 -9.796 -2.232 1.00 0.00 O ATOM 1600 CB VAL A 102 4.700 -6.431 -2.508 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.020 -6.408 -1.020 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.970 -6.288 -3.336 1.00 0.00 C ATOM 0 H VAL A 102 2.217 -6.714 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 102 4.254 -8.033 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 102 4.051 -5.583 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.548 -5.486 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.094 -6.459 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.648 -7.263 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.485 -5.369 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.623 -7.141 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.712 -6.252 -4.394 1.00 0.00 H new ATOM 1612 N THR A 103 3.901 -8.621 -0.643 1.00 0.00 N ATOM 1613 CA THR A 103 4.182 -9.580 0.416 1.00 0.00 C ATOM 1614 C THR A 103 3.165 -9.439 1.538 1.00 0.00 C ATOM 1615 O THR A 103 3.483 -9.649 2.710 1.00 0.00 O ATOM 1616 CB THR A 103 5.595 -9.371 0.967 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.675 -8.158 1.695 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.663 -9.331 -0.107 1.00 0.00 C ATOM 0 H THR A 103 3.362 -7.809 -0.343 1.00 0.00 H new ATOM 0 HA THR A 103 4.113 -10.584 -0.003 1.00 0.00 H new ATOM 0 HB THR A 103 5.782 -10.233 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.965 -7.551 1.398 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.638 -9.180 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.663 -10.273 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.457 -8.511 -0.795 1.00 0.00 H new ATOM 1626 N ARG A 104 1.941 -9.071 1.175 1.00 0.00 N ATOM 1627 CA ARG A 104 0.883 -8.891 2.156 1.00 0.00 C ATOM 1628 C ARG A 104 1.310 -7.865 3.199 1.00 0.00 C ATOM 1629 O ARG A 104 1.793 -8.223 4.272 1.00 0.00 O ATOM 1630 CB ARG A 104 0.554 -10.227 2.827 1.00 0.00 C ATOM 1631 CG ARG A 104 0.113 -10.100 4.277 1.00 0.00 C ATOM 1632 CD ARG A 104 -1.292 -10.643 4.479 1.00 0.00 C ATOM 1633 NE ARG A 104 -1.280 -12.006 5.007 1.00 0.00 N ATOM 1634 CZ ARG A 104 -0.627 -12.364 6.108 1.00 0.00 C ATOM 1635 NH1 ARG A 104 0.060 -11.462 6.795 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -0.663 -13.623 6.522 1.00 0.00 N ATOM 0 H ARG A 104 1.660 -8.893 0.211 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.011 -8.526 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.235 -10.722 2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.432 -10.871 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.809 -10.640 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.147 -9.053 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.837 -9.993 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.827 -10.626 3.530 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.802 -12.722 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.088 -10.493 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.561 -11.737 7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.192 -14.318 5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.161 -13.897 7.367 1.00 0.00 H new ATOM 1650 N LEU A 105 1.141 -6.585 2.871 1.00 0.00 N ATOM 1651 CA LEU A 105 1.524 -5.516 3.785 1.00 0.00 C ATOM 1652 C LEU A 105 2.355 -6.056 4.932 1.00 0.00 C ATOM 1653 O LEU A 105 1.971 -5.957 6.099 1.00 0.00 O ATOM 1654 CB LEU A 105 0.293 -4.779 4.312 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.257 -3.713 3.373 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.524 -3.683 2.084 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.712 -3.941 3.089 1.00 0.00 C ATOM 0 H LEU A 105 0.745 -6.267 1.987 1.00 0.00 H new ATOM 0 HA LEU A 105 2.134 -4.804 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.492 -5.508 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.545 -4.311 5.264 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.152 -2.748 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.114 -2.915 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.569 -3.459 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.454 -4.654 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.077 -3.165 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.843 -4.917 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.275 -3.907 4.022 1.00 0.00 H new ATOM 1669 N ARG A 106 3.503 -6.627 4.591 1.00 0.00 N ATOM 1670 CA ARG A 106 4.399 -7.183 5.588 1.00 0.00 C ATOM 1671 C ARG A 106 4.771 -6.129 6.623 1.00 0.00 C ATOM 1672 O ARG A 106 4.903 -6.434 7.808 1.00 0.00 O ATOM 1673 CB ARG A 106 5.662 -7.731 4.924 1.00 0.00 C ATOM 1674 CG ARG A 106 6.851 -7.828 5.864 1.00 0.00 C ATOM 1675 CD ARG A 106 6.509 -8.620 7.116 1.00 0.00 C ATOM 1676 NE ARG A 106 7.539 -8.492 8.143 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.288 -8.539 9.447 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.045 -8.711 9.880 1.00 0.00 N ATOM 1679 NH2 ARG A 106 8.277 -8.415 10.321 1.00 0.00 N ATOM 0 H ARG A 106 3.833 -6.716 3.630 1.00 0.00 H new ATOM 0 HA ARG A 106 3.882 -8.000 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.449 -8.720 4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.926 -7.091 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.686 -8.303 5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.178 -6.826 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.555 -8.274 7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.384 -9.671 6.857 1.00 0.00 H new ATOM 0 HE ARG A 106 8.505 -8.359 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.281 -8.807 9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.854 -8.747 10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.234 -8.283 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.081 -8.451 11.321 1.00 0.00 H new ATOM 1693 N TYR A 107 4.939 -4.886 6.174 1.00 0.00 N ATOM 1694 CA TYR A 107 5.295 -3.808 7.088 1.00 0.00 C ATOM 1695 C TYR A 107 5.148 -2.432 6.447 1.00 0.00 C ATOM 1696 O TYR A 107 6.034 -1.978 5.721 1.00 0.00 O ATOM 1697 CB TYR A 107 6.729 -3.984 7.584 1.00 0.00 C ATOM 1698 CG TYR A 107 7.139 -2.931 8.584 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.586 -2.908 9.857 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.070 -1.954 8.256 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.949 -1.944 10.776 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.440 -0.986 9.169 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.877 -0.985 10.428 1.00 0.00 C ATOM 1704 OH TYR A 107 8.242 -0.021 11.340 1.00 0.00 O ATOM 0 H TYR A 107 4.836 -4.606 5.199 1.00 0.00 H new ATOM 0 HA TYR A 107 4.601 -3.863 7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.832 -4.969 8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.409 -3.953 6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.859 -3.657 10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.512 -1.951 7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.509 -1.941 11.762 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.166 -0.234 8.898 1.00 0.00 H new ATOM 0 HH TYR A 107 8.906 0.577 10.936 1.00 0.00 H new ATOM 1714 N PRO A 108 4.036 -1.736 6.723 1.00 0.00 N ATOM 1715 CA PRO A 108 3.803 -0.396 6.191 1.00 0.00 C ATOM 1716 C PRO A 108 4.946 0.552 6.537 1.00 0.00 C ATOM 1717 O PRO A 108 5.367 0.630 7.691 1.00 0.00 O ATOM 1718 CB PRO A 108 2.519 0.059 6.893 1.00 0.00 C ATOM 1719 CG PRO A 108 2.336 -0.883 8.034 1.00 0.00 C ATOM 1720 CD PRO A 108 2.927 -2.180 7.576 1.00 0.00 C ATOM 0 HA PRO A 108 3.729 -0.397 5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.606 1.088 7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.667 0.024 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.837 -0.517 8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.281 -0.998 8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.275 -2.786 8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.206 -2.783 7.024 1.00 0.00 H new ATOM 1728 N VAL A 109 5.438 1.274 5.542 1.00 0.00 N ATOM 1729 CA VAL A 109 6.518 2.215 5.750 1.00 0.00 C ATOM 1730 C VAL A 109 5.966 3.632 5.824 1.00 0.00 C ATOM 1731 O VAL A 109 5.086 4.002 5.051 1.00 0.00 O ATOM 1732 CB VAL A 109 7.559 2.111 4.621 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.426 3.271 3.653 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.963 2.028 5.196 1.00 0.00 C ATOM 0 H VAL A 109 5.102 1.223 4.580 1.00 0.00 H new ATOM 0 HA VAL A 109 7.010 1.973 6.692 1.00 0.00 H new ATOM 0 HB VAL A 109 7.370 1.194 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.173 3.174 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.429 3.264 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.580 4.209 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.685 1.955 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.168 2.922 5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.044 1.147 5.833 1.00 0.00 H new ATOM 1744 N CYS A 110 6.474 4.416 6.765 1.00 0.00 N ATOM 1745 CA CYS A 110 6.014 5.783 6.940 1.00 0.00 C ATOM 1746 C CYS A 110 7.186 6.758 6.900 1.00 0.00 C ATOM 1747 O CYS A 110 7.760 7.103 7.933 1.00 0.00 O ATOM 1748 CB CYS A 110 5.254 5.915 8.264 1.00 0.00 C ATOM 1749 SG CYS A 110 6.319 6.051 9.720 1.00 0.00 S ATOM 0 H CYS A 110 7.204 4.128 7.417 1.00 0.00 H new ATOM 0 HA CYS A 110 5.340 6.029 6.119 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.611 6.794 8.215 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.602 5.049 8.384 1.00 0.00 H new ATOM 0 HG CYS A 110 7.402 6.697 9.406 1.00 0.00 H new ATOM 1755 N GLY A 111 7.532 7.198 5.696 1.00 0.00 N ATOM 1756 CA GLY A 111 8.632 8.130 5.535 1.00 0.00 C ATOM 1757 C GLY A 111 8.161 9.563 5.377 1.00 0.00 C ATOM 1758 O GLY A 111 6.980 9.811 5.137 1.00 0.00 O ATOM 0 H GLY A 111 7.070 6.926 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.292 8.061 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.220 7.846 4.662 1.00 0.00 H new