USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 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 44 ASN : amide:sc= -4.51! C(o=-4.3!,f=-11!) USER MOD Set 1.2: A 52 SER OG : rot 65:sc= 0.184 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.256 K(o=-0.49,f=-4.2!) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.234 K(o=-0.49,f=-4.2) USER MOD Set 3.1: A 20 CYS SG : rot 35:sc= -3.88! USER MOD Set 3.2: A 27 GLN : amide:sc= -1.06! C(o=-4.9!,f=-11!) USER MOD Set 4.1: A 1 MET CE :methyl 151:sc= -0.117 (180deg=-0.589) USER MOD Set 4.2: A 6 THR OG1 : rot -63:sc= 1 USER MOD Set 4.3: A 98 GLN : amide:sc= -0.905 K(o=-0.16,f=0.9) USER MOD Set 4.4: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 4.5: A 105 GLN : amide:sc= -0.133 K(o=-0.16,f=0.9) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0348) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -5:sc= -0.802 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -98:sc= 1.22 USER MOD Single : A 35 ASN : amide:sc=-0.00749 K(o=-0.0075,f=-2.6) USER MOD Single : A 38 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.073) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.074) USER MOD Single : A 55 SER OG : rot 76:sc= 0.976 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 GLN : amide:sc= 1.22 K(o=1.2,f=-0.1) USER MOD Single : A 70 SER OG : rot 131:sc= 1.34 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -2.88! C(o=-2.9!,f=-2.6!) USER MOD Single : A 76 HIS : no HE2:sc= -0.0606! C(o=-0.061!,f=-4.3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 147:sc= -0.842 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 176:sc= 0.72 USER MOD Single : A 97 THR OG1 : rot 126:sc= -2! USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 107 SER OG : rot 68:sc= 0.0126 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.00507 X(o=0.0051,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 126 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.62) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= 0.765 K(o=0.77,f=-2.4!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 130 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.559 -6.167 4.498 1.00 31.32 N ATOM 2 CA MET A 1 -20.419 -6.885 3.887 1.00 23.22 C ATOM 3 C MET A 1 -20.848 -7.629 2.633 1.00 64.04 C ATOM 4 O MET A 1 -21.104 -8.830 2.664 1.00 12.31 O ATOM 5 CB MET A 1 -19.803 -7.872 4.883 1.00 11.44 C ATOM 6 CG MET A 1 -19.013 -7.210 5.997 1.00 74.43 C ATOM 7 SD MET A 1 -18.456 -8.384 7.250 1.00 75.05 S ATOM 8 CE MET A 1 -17.583 -9.587 6.247 1.00 14.33 C ATOM 0 H1 MET A 1 -21.219 -5.587 5.292 1.00 31.32 H new ATOM 0 H2 MET A 1 -22.004 -5.553 3.786 1.00 31.32 H new ATOM 0 H3 MET A 1 -22.256 -6.855 4.846 1.00 31.32 H new ATOM 0 HA MET A 1 -19.672 -6.140 3.613 1.00 23.22 H new ATOM 0 HB2 MET A 1 -20.599 -8.473 5.323 1.00 11.44 H new ATOM 0 HB3 MET A 1 -19.148 -8.556 4.343 1.00 11.44 H new ATOM 0 HG2 MET A 1 -18.148 -6.702 5.571 1.00 74.43 H new ATOM 0 HG3 MET A 1 -19.630 -6.446 6.470 1.00 74.43 H new ATOM 0 HE1 MET A 1 -16.790 -10.046 6.837 1.00 14.33 H new ATOM 0 HE2 MET A 1 -18.279 -10.357 5.914 1.00 14.33 H new ATOM 0 HE3 MET A 1 -17.149 -9.091 5.379 1.00 14.33 H new ATOM 20 N SER A 2 -20.946 -6.900 1.535 1.00 53.10 N ATOM 21 CA SER A 2 -21.255 -7.494 0.251 1.00 43.35 C ATOM 22 C SER A 2 -19.983 -7.617 -0.579 1.00 11.12 C ATOM 23 O SER A 2 -19.652 -8.694 -1.069 1.00 32.13 O ATOM 24 CB SER A 2 -22.299 -6.649 -0.489 1.00 74.04 C ATOM 25 OG SER A 2 -22.706 -7.269 -1.700 1.00 33.03 O ATOM 0 H SER A 2 -20.815 -5.889 1.510 1.00 53.10 H new ATOM 0 HA SER A 2 -21.670 -8.489 0.410 1.00 43.35 H new ATOM 0 HB2 SER A 2 -23.167 -6.497 0.153 1.00 74.04 H new ATOM 0 HB3 SER A 2 -21.885 -5.664 -0.704 1.00 74.04 H new ATOM 0 HG SER A 2 -23.373 -6.707 -2.147 1.00 33.03 H new ATOM 31 N GLN A 3 -19.257 -6.507 -0.706 1.00 74.22 N ATOM 32 CA GLN A 3 -18.033 -6.478 -1.500 1.00 30.25 C ATOM 33 C GLN A 3 -16.802 -6.352 -0.608 1.00 41.53 C ATOM 34 O GLN A 3 -15.739 -5.919 -1.056 1.00 12.52 O ATOM 35 CB GLN A 3 -18.071 -5.321 -2.499 1.00 43.12 C ATOM 36 CG GLN A 3 -19.163 -5.459 -3.548 1.00 35.23 C ATOM 37 CD GLN A 3 -19.139 -4.330 -4.558 1.00 53.40 C ATOM 38 OE1 GLN A 3 -18.470 -4.416 -5.586 1.00 52.42 O ATOM 39 NE2 GLN A 3 -19.877 -3.269 -4.279 1.00 15.50 N ATOM 0 H GLN A 3 -19.496 -5.617 -0.269 1.00 74.22 H new ATOM 0 HA GLN A 3 -17.968 -7.419 -2.046 1.00 30.25 H new ATOM 0 HB2 GLN A 3 -18.216 -4.387 -1.956 1.00 43.12 H new ATOM 0 HB3 GLN A 3 -17.105 -5.252 -2.999 1.00 43.12 H new ATOM 0 HG2 GLN A 3 -19.046 -6.410 -4.067 1.00 35.23 H new ATOM 0 HG3 GLN A 3 -20.135 -5.482 -3.056 1.00 35.23 H new ATOM 0 HE21 GLN A 3 -20.418 -3.237 -3.415 1.00 15.50 H new ATOM 0 HE22 GLN A 3 -19.905 -2.483 -4.928 1.00 15.50 H new ATOM 48 N TRP A 4 -16.949 -6.747 0.648 1.00 11.11 N ATOM 49 CA TRP A 4 -15.847 -6.694 1.601 1.00 41.15 C ATOM 50 C TRP A 4 -15.139 -8.036 1.662 1.00 10.44 C ATOM 51 O TRP A 4 -15.734 -9.041 2.050 1.00 15.42 O ATOM 52 CB TRP A 4 -16.350 -6.325 2.997 1.00 62.24 C ATOM 53 CG TRP A 4 -16.916 -4.943 3.089 1.00 24.44 C ATOM 54 CD1 TRP A 4 -18.226 -4.584 2.983 1.00 33.33 C ATOM 55 CD2 TRP A 4 -16.186 -3.735 3.313 1.00 31.23 C ATOM 56 NE1 TRP A 4 -18.357 -3.228 3.130 1.00 62.12 N ATOM 57 CE2 TRP A 4 -17.118 -2.683 3.334 1.00 41.33 C ATOM 58 CE3 TRP A 4 -14.834 -3.440 3.500 1.00 63.33 C ATOM 59 CZ2 TRP A 4 -16.743 -1.358 3.532 1.00 14.21 C ATOM 60 CZ3 TRP A 4 -14.462 -2.126 3.699 1.00 13.22 C ATOM 61 CH2 TRP A 4 -15.413 -1.098 3.715 1.00 71.14 C ATOM 0 H TRP A 4 -17.822 -7.109 1.033 1.00 11.11 H new ATOM 0 HA TRP A 4 -15.149 -5.928 1.263 1.00 41.15 H new ATOM 0 HB2 TRP A 4 -17.114 -7.041 3.299 1.00 62.24 H new ATOM 0 HB3 TRP A 4 -15.527 -6.419 3.706 1.00 62.24 H new ATOM 0 HD1 TRP A 4 -19.043 -5.269 2.808 1.00 33.33 H new ATOM 0 HE1 TRP A 4 -19.235 -2.709 3.093 1.00 62.12 H new ATOM 0 HE3 TRP A 4 -14.093 -4.226 3.489 1.00 63.33 H new ATOM 0 HZ2 TRP A 4 -17.475 -0.564 3.541 1.00 14.21 H new ATOM 0 HZ3 TRP A 4 -13.419 -1.886 3.845 1.00 13.22 H new ATOM 0 HH2 TRP A 4 -15.090 -0.080 3.875 1.00 71.14 H new ATOM 72 N THR A 5 -13.881 -8.052 1.266 1.00 41.54 N ATOM 73 CA THR A 5 -13.098 -9.276 1.279 1.00 71.11 C ATOM 74 C THR A 5 -12.103 -9.273 2.437 1.00 1.12 C ATOM 75 O THR A 5 -11.362 -8.305 2.627 1.00 30.34 O ATOM 76 CB THR A 5 -12.342 -9.454 -0.051 1.00 74.00 C ATOM 77 OG1 THR A 5 -13.261 -9.328 -1.145 1.00 63.34 O ATOM 78 CG2 THR A 5 -11.655 -10.813 -0.114 1.00 44.12 C ATOM 0 H THR A 5 -13.377 -7.231 0.931 1.00 41.54 H new ATOM 0 HA THR A 5 -13.788 -10.109 1.409 1.00 71.11 H new ATOM 0 HB THR A 5 -11.577 -8.681 -0.118 1.00 74.00 H new ATOM 0 HG1 THR A 5 -12.779 -9.440 -1.991 1.00 63.34 H new ATOM 0 HG21 THR A 5 -11.129 -10.911 -1.064 1.00 44.12 H new ATOM 0 HG22 THR A 5 -10.942 -10.899 0.706 1.00 44.12 H new ATOM 0 HG23 THR A 5 -12.402 -11.602 -0.029 1.00 44.12 H new ATOM 86 N THR A 6 -12.107 -10.347 3.216 1.00 42.31 N ATOM 87 CA THR A 6 -11.182 -10.490 4.327 1.00 45.44 C ATOM 88 C THR A 6 -9.757 -10.710 3.811 1.00 53.20 C ATOM 89 O THR A 6 -9.472 -11.721 3.163 1.00 52.23 O ATOM 90 CB THR A 6 -11.585 -11.675 5.229 1.00 22.40 C ATOM 91 OG1 THR A 6 -13.003 -11.656 5.465 1.00 14.14 O ATOM 92 CG2 THR A 6 -10.847 -11.623 6.559 1.00 45.41 C ATOM 0 H THR A 6 -12.745 -11.134 3.096 1.00 42.31 H new ATOM 0 HA THR A 6 -11.219 -9.571 4.911 1.00 45.44 H new ATOM 0 HB THR A 6 -11.313 -12.598 4.716 1.00 22.40 H new ATOM 0 HG1 THR A 6 -13.243 -10.838 5.949 1.00 14.14 H new ATOM 0 HG21 THR A 6 -11.149 -12.469 7.176 1.00 45.41 H new ATOM 0 HG22 THR A 6 -9.773 -11.669 6.381 1.00 45.41 H new ATOM 0 HG23 THR A 6 -11.090 -10.694 7.074 1.00 45.41 H new ATOM 100 N VAL A 7 -8.871 -9.761 4.085 1.00 2.10 N ATOM 101 CA VAL A 7 -7.494 -9.852 3.622 1.00 21.44 C ATOM 102 C VAL A 7 -6.637 -10.625 4.622 1.00 53.11 C ATOM 103 O VAL A 7 -6.347 -11.807 4.427 1.00 20.55 O ATOM 104 CB VAL A 7 -6.881 -8.454 3.393 1.00 23.32 C ATOM 105 CG1 VAL A 7 -5.502 -8.562 2.758 1.00 30.31 C ATOM 106 CG2 VAL A 7 -7.804 -7.593 2.542 1.00 44.23 C ATOM 0 H VAL A 7 -9.082 -8.921 4.624 1.00 2.10 H new ATOM 0 HA VAL A 7 -7.508 -10.385 2.671 1.00 21.44 H new ATOM 0 HB VAL A 7 -6.767 -7.972 4.364 1.00 23.32 H new ATOM 0 HG11 VAL A 7 -5.092 -7.564 2.607 1.00 30.31 H new ATOM 0 HG12 VAL A 7 -4.843 -9.130 3.414 1.00 30.31 H new ATOM 0 HG13 VAL A 7 -5.583 -9.070 1.797 1.00 30.31 H new ATOM 0 HG21 VAL A 7 -7.352 -6.612 2.393 1.00 44.23 H new ATOM 0 HG22 VAL A 7 -7.959 -8.072 1.575 1.00 44.23 H new ATOM 0 HG23 VAL A 7 -8.763 -7.478 3.048 1.00 44.23 H new ATOM 116 N CYS A 8 -6.256 -9.957 5.703 1.00 45.54 N ATOM 117 CA CYS A 8 -5.399 -10.555 6.719 1.00 10.22 C ATOM 118 C CYS A 8 -5.763 -10.013 8.094 1.00 63.12 C ATOM 119 O CYS A 8 -6.584 -9.098 8.212 1.00 70.30 O ATOM 120 CB CYS A 8 -3.924 -10.249 6.431 1.00 42.52 C ATOM 121 SG CYS A 8 -3.320 -10.844 4.833 1.00 21.33 S ATOM 0 H CYS A 8 -6.529 -8.994 5.900 1.00 45.54 H new ATOM 0 HA CYS A 8 -5.549 -11.634 6.698 1.00 10.22 H new ATOM 0 HB2 CYS A 8 -3.776 -9.170 6.480 1.00 42.52 H new ATOM 0 HB3 CYS A 8 -3.316 -10.691 7.220 1.00 42.52 H new ATOM 0 HG CYS A 8 -4.254 -11.530 4.244 1.00 21.33 H new ATOM 127 N LYS A 9 -5.159 -10.581 9.129 1.00 1.43 N ATOM 128 CA LYS A 9 -5.335 -10.078 10.480 1.00 34.21 C ATOM 129 C LYS A 9 -4.372 -8.929 10.737 1.00 4.54 C ATOM 130 O LYS A 9 -3.223 -8.962 10.295 1.00 24.04 O ATOM 131 CB LYS A 9 -5.104 -11.179 11.516 1.00 74.12 C ATOM 132 CG LYS A 9 -6.057 -12.356 11.395 1.00 54.53 C ATOM 133 CD LYS A 9 -5.872 -13.326 12.550 1.00 20.14 C ATOM 134 CE LYS A 9 -6.220 -12.675 13.877 1.00 34.34 C ATOM 135 NZ LYS A 9 -5.861 -13.537 15.030 1.00 64.30 N ATOM 0 H LYS A 9 -4.543 -11.391 9.056 1.00 1.43 H new ATOM 0 HA LYS A 9 -6.362 -9.725 10.575 1.00 34.21 H new ATOM 0 HB2 LYS A 9 -4.081 -11.543 11.421 1.00 74.12 H new ATOM 0 HB3 LYS A 9 -5.199 -10.750 12.513 1.00 74.12 H new ATOM 0 HG2 LYS A 9 -7.086 -11.996 11.379 1.00 54.53 H new ATOM 0 HG3 LYS A 9 -5.885 -12.872 10.450 1.00 54.53 H new ATOM 0 HD2 LYS A 9 -6.501 -14.203 12.396 1.00 20.14 H new ATOM 0 HD3 LYS A 9 -4.840 -13.675 12.573 1.00 20.14 H new ATOM 0 HE2 LYS A 9 -5.698 -11.722 13.961 1.00 34.34 H new ATOM 0 HE3 LYS A 9 -7.288 -12.458 13.905 1.00 34.34 H new ATOM 0 HZ1 LYS A 9 -6.115 -13.055 15.916 1.00 64.30 H new ATOM 0 HZ2 LYS A 9 -6.378 -14.437 14.965 1.00 64.30 H new ATOM 0 HZ3 LYS A 9 -4.838 -13.724 15.019 1.00 64.30 H new ATOM 149 N LEU A 10 -4.837 -7.925 11.462 1.00 22.33 N ATOM 150 CA LEU A 10 -4.021 -6.752 11.758 1.00 41.41 C ATOM 151 C LEU A 10 -2.906 -7.100 12.742 1.00 64.15 C ATOM 152 O LEU A 10 -1.889 -6.415 12.816 1.00 35.53 O ATOM 153 CB LEU A 10 -4.895 -5.630 12.318 1.00 42.32 C ATOM 154 CG LEU A 10 -4.159 -4.327 12.629 1.00 34.22 C ATOM 155 CD1 LEU A 10 -3.469 -3.793 11.386 1.00 20.22 C ATOM 156 CD2 LEU A 10 -5.125 -3.299 13.183 1.00 42.00 C ATOM 0 H LEU A 10 -5.776 -7.896 11.858 1.00 22.33 H new ATOM 0 HA LEU A 10 -3.561 -6.410 10.831 1.00 41.41 H new ATOM 0 HB2 LEU A 10 -5.690 -5.418 11.602 1.00 42.32 H new ATOM 0 HB3 LEU A 10 -5.374 -5.985 13.230 1.00 42.32 H new ATOM 0 HG LEU A 10 -3.397 -4.530 13.382 1.00 34.22 H new ATOM 0 HD11 LEU A 10 -2.951 -2.865 11.628 1.00 20.22 H new ATOM 0 HD12 LEU A 10 -2.749 -4.528 11.026 1.00 20.22 H new ATOM 0 HD13 LEU A 10 -4.212 -3.602 10.611 1.00 20.22 H new ATOM 0 HD21 LEU A 10 -4.588 -2.376 13.400 1.00 42.00 H new ATOM 0 HD22 LEU A 10 -5.906 -3.101 12.449 1.00 42.00 H new ATOM 0 HD23 LEU A 10 -5.577 -3.680 14.099 1.00 42.00 H new ATOM 168 N ASP A 11 -3.107 -8.180 13.476 1.00 45.13 N ATOM 169 CA ASP A 11 -2.130 -8.663 14.445 1.00 0.41 C ATOM 170 C ASP A 11 -0.824 -9.040 13.753 1.00 35.43 C ATOM 171 O ASP A 11 0.262 -8.844 14.299 1.00 43.52 O ATOM 172 CB ASP A 11 -2.703 -9.866 15.204 1.00 30.01 C ATOM 173 CG ASP A 11 -1.703 -10.504 16.148 1.00 61.14 C ATOM 174 OD1 ASP A 11 -1.500 -9.972 17.259 1.00 33.34 O ATOM 175 OD2 ASP A 11 -1.124 -11.549 15.789 1.00 63.32 O ATOM 0 H ASP A 11 -3.951 -8.749 13.420 1.00 45.13 H new ATOM 0 HA ASP A 11 -1.916 -7.864 15.155 1.00 0.41 H new ATOM 0 HB2 ASP A 11 -3.577 -9.547 15.772 1.00 30.01 H new ATOM 0 HB3 ASP A 11 -3.044 -10.612 14.486 1.00 30.01 H new ATOM 180 N ASP A 12 -0.936 -9.556 12.536 1.00 1.15 N ATOM 181 CA ASP A 12 0.234 -9.967 11.770 1.00 72.21 C ATOM 182 C ASP A 12 0.770 -8.794 10.953 1.00 63.44 C ATOM 183 O ASP A 12 1.882 -8.840 10.427 1.00 71.21 O ATOM 184 CB ASP A 12 -0.117 -11.151 10.862 1.00 60.14 C ATOM 185 CG ASP A 12 1.094 -11.743 10.160 1.00 3.53 C ATOM 186 OD1 ASP A 12 2.125 -11.967 10.826 1.00 55.11 O ATOM 187 OD2 ASP A 12 1.014 -11.994 8.937 1.00 72.51 O ATOM 0 H ASP A 12 -1.825 -9.700 12.058 1.00 1.15 H new ATOM 0 HA ASP A 12 1.015 -10.286 12.461 1.00 72.21 H new ATOM 0 HB2 ASP A 12 -0.600 -11.926 11.457 1.00 60.14 H new ATOM 0 HB3 ASP A 12 -0.840 -10.826 10.114 1.00 60.14 H new ATOM 192 N ILE A 13 -0.020 -7.730 10.867 1.00 51.24 N ATOM 193 CA ILE A 13 0.395 -6.537 10.143 1.00 53.42 C ATOM 194 C ILE A 13 1.289 -5.671 11.025 1.00 71.20 C ATOM 195 O ILE A 13 0.833 -5.091 12.012 1.00 61.41 O ATOM 196 CB ILE A 13 -0.811 -5.711 9.648 1.00 22.44 C ATOM 197 CG1 ILE A 13 -1.665 -6.557 8.698 1.00 12.53 C ATOM 198 CG2 ILE A 13 -0.335 -4.435 8.961 1.00 24.33 C ATOM 199 CD1 ILE A 13 -2.885 -5.839 8.167 1.00 43.21 C ATOM 0 H ILE A 13 -0.947 -7.670 11.288 1.00 51.24 H new ATOM 0 HA ILE A 13 0.953 -6.866 9.266 1.00 53.42 H new ATOM 0 HB ILE A 13 -1.423 -5.425 10.503 1.00 22.44 H new ATOM 0 HG12 ILE A 13 -1.049 -6.876 7.857 1.00 12.53 H new ATOM 0 HG13 ILE A 13 -1.985 -7.459 9.219 1.00 12.53 H new ATOM 0 HG21 ILE A 13 -1.197 -3.863 8.617 1.00 24.33 H new ATOM 0 HG22 ILE A 13 0.241 -3.835 9.666 1.00 24.33 H new ATOM 0 HG23 ILE A 13 0.292 -4.693 8.108 1.00 24.33 H new ATOM 0 HD11 ILE A 13 -3.437 -6.503 7.502 1.00 43.21 H new ATOM 0 HD12 ILE A 13 -3.525 -5.544 8.999 1.00 43.21 H new ATOM 0 HD13 ILE A 13 -2.574 -4.951 7.616 1.00 43.21 H new ATOM 211 N LEU A 14 2.562 -5.600 10.659 1.00 64.00 N ATOM 212 CA LEU A 14 3.576 -4.900 11.443 1.00 54.45 C ATOM 213 C LEU A 14 3.205 -3.434 11.688 1.00 0.41 C ATOM 214 O LEU A 14 2.846 -2.708 10.761 1.00 44.11 O ATOM 215 CB LEU A 14 4.936 -4.964 10.738 1.00 72.53 C ATOM 216 CG LEU A 14 5.560 -6.357 10.582 1.00 60.30 C ATOM 217 CD1 LEU A 14 4.856 -7.157 9.494 1.00 63.12 C ATOM 218 CD2 LEU A 14 7.041 -6.233 10.269 1.00 73.31 C ATOM 0 H LEU A 14 2.924 -6.028 9.807 1.00 64.00 H new ATOM 0 HA LEU A 14 3.633 -5.403 12.408 1.00 54.45 H new ATOM 0 HB2 LEU A 14 4.827 -4.526 9.746 1.00 72.53 H new ATOM 0 HB3 LEU A 14 5.636 -4.336 11.289 1.00 72.53 H new ATOM 0 HG LEU A 14 5.438 -6.891 11.524 1.00 60.30 H new ATOM 0 HD11 LEU A 14 5.320 -8.139 9.407 1.00 63.12 H new ATOM 0 HD12 LEU A 14 3.804 -7.275 9.752 1.00 63.12 H new ATOM 0 HD13 LEU A 14 4.940 -6.630 8.543 1.00 63.12 H new ATOM 0 HD21 LEU A 14 7.474 -7.227 10.160 1.00 73.31 H new ATOM 0 HD22 LEU A 14 7.171 -5.677 9.341 1.00 73.31 H new ATOM 0 HD23 LEU A 14 7.542 -5.706 11.081 1.00 73.31 H new ATOM 230 N PRO A 15 3.277 -2.984 12.948 1.00 11.21 N ATOM 231 CA PRO A 15 3.046 -1.583 13.302 1.00 72.12 C ATOM 232 C PRO A 15 4.148 -0.681 12.752 1.00 10.51 C ATOM 233 O PRO A 15 5.328 -0.874 13.057 1.00 45.31 O ATOM 234 CB PRO A 15 3.060 -1.579 14.839 1.00 12.41 C ATOM 235 CG PRO A 15 2.947 -3.011 15.243 1.00 73.33 C ATOM 236 CD PRO A 15 3.568 -3.803 14.132 1.00 64.41 C ATOM 0 HA PRO A 15 2.114 -1.201 12.885 1.00 72.12 H new ATOM 0 HB2 PRO A 15 3.979 -1.135 15.222 1.00 12.41 H new ATOM 0 HB3 PRO A 15 2.232 -0.992 15.237 1.00 12.41 H new ATOM 0 HG2 PRO A 15 3.462 -3.192 16.187 1.00 73.33 H new ATOM 0 HG3 PRO A 15 1.905 -3.294 15.389 1.00 73.33 H new ATOM 0 HD2 PRO A 15 4.640 -3.935 14.279 1.00 64.41 H new ATOM 0 HD3 PRO A 15 3.132 -4.799 14.052 1.00 64.41 H new ATOM 244 N GLY A 16 3.762 0.289 11.934 1.00 3.04 N ATOM 245 CA GLY A 16 4.729 1.174 11.322 1.00 73.40 C ATOM 246 C GLY A 16 5.094 0.748 9.913 1.00 4.25 C ATOM 247 O GLY A 16 6.241 0.905 9.493 1.00 75.22 O ATOM 0 H GLY A 16 2.791 0.478 11.683 1.00 3.04 H new ATOM 0 HA2 GLY A 16 4.327 2.187 11.299 1.00 73.40 H new ATOM 0 HA3 GLY A 16 5.630 1.202 11.935 1.00 73.40 H new ATOM 251 N THR A 17 4.125 0.220 9.167 1.00 0.11 N ATOM 252 CA THR A 17 4.396 -0.250 7.810 1.00 23.32 C ATOM 253 C THR A 17 3.302 0.189 6.842 1.00 70.34 C ATOM 254 O THR A 17 2.429 0.986 7.196 1.00 72.00 O ATOM 255 CB THR A 17 4.529 -1.786 7.743 1.00 23.12 C ATOM 256 OG1 THR A 17 3.332 -2.407 8.226 1.00 41.32 O ATOM 257 CG2 THR A 17 5.726 -2.279 8.543 1.00 13.41 C ATOM 0 H THR A 17 3.159 0.108 9.474 1.00 0.11 H new ATOM 0 HA THR A 17 5.346 0.199 7.519 1.00 23.32 H new ATOM 0 HB THR A 17 4.685 -2.060 6.700 1.00 23.12 H new ATOM 0 HG1 THR A 17 3.454 -2.669 9.162 1.00 41.32 H new ATOM 0 HG21 THR A 17 5.788 -3.365 8.473 1.00 13.41 H new ATOM 0 HG22 THR A 17 6.638 -1.837 8.143 1.00 13.41 H new ATOM 0 HG23 THR A 17 5.610 -1.989 9.587 1.00 13.41 H new ATOM 265 N GLY A 18 3.356 -0.335 5.623 1.00 14.15 N ATOM 266 CA GLY A 18 2.365 -0.003 4.620 1.00 4.31 C ATOM 267 C GLY A 18 2.767 -0.494 3.245 1.00 31.35 C ATOM 268 O GLY A 18 3.534 0.170 2.548 1.00 43.11 O ATOM 0 H GLY A 18 4.074 -0.988 5.311 1.00 14.15 H new ATOM 0 HA2 GLY A 18 1.407 -0.443 4.897 1.00 4.31 H new ATOM 0 HA3 GLY A 18 2.224 1.077 4.593 1.00 4.31 H new ATOM 272 N VAL A 19 2.265 -1.667 2.862 1.00 35.22 N ATOM 273 CA VAL A 19 2.591 -2.258 1.565 1.00 32.41 C ATOM 274 C VAL A 19 1.338 -2.774 0.871 1.00 43.21 C ATOM 275 O VAL A 19 0.289 -2.907 1.502 1.00 64.32 O ATOM 276 CB VAL A 19 3.612 -3.413 1.689 1.00 23.22 C ATOM 277 CG1 VAL A 19 4.954 -2.903 2.190 1.00 13.30 C ATOM 278 CG2 VAL A 19 3.082 -4.508 2.606 1.00 73.41 C ATOM 0 H VAL A 19 1.631 -2.227 3.432 1.00 35.22 H new ATOM 0 HA VAL A 19 3.041 -1.464 0.969 1.00 32.41 H new ATOM 0 HB VAL A 19 3.758 -3.837 0.696 1.00 23.22 H new ATOM 0 HG11 VAL A 19 5.653 -3.735 2.268 1.00 13.30 H new ATOM 0 HG12 VAL A 19 5.346 -2.164 1.491 1.00 13.30 H new ATOM 0 HG13 VAL A 19 4.826 -2.444 3.170 1.00 13.30 H new ATOM 0 HG21 VAL A 19 3.817 -5.310 2.678 1.00 73.41 H new ATOM 0 HG22 VAL A 19 2.898 -4.095 3.598 1.00 73.41 H new ATOM 0 HG23 VAL A 19 2.152 -4.904 2.199 1.00 73.41 H new ATOM 288 N CYS A 20 1.451 -3.068 -0.423 1.00 72.32 N ATOM 289 CA CYS A 20 0.307 -3.506 -1.207 1.00 70.45 C ATOM 290 C CYS A 20 0.010 -4.987 -0.981 1.00 70.24 C ATOM 291 O CYS A 20 0.857 -5.848 -1.229 1.00 74.41 O ATOM 292 CB CYS A 20 0.573 -3.244 -2.690 1.00 31.14 C ATOM 293 SG CYS A 20 2.097 -4.004 -3.296 1.00 14.31 S ATOM 0 H CYS A 20 2.324 -3.010 -0.947 1.00 72.32 H new ATOM 0 HA CYS A 20 -0.566 -2.939 -0.885 1.00 70.45 H new ATOM 0 HB2 CYS A 20 -0.268 -3.620 -3.273 1.00 31.14 H new ATOM 0 HB3 CYS A 20 0.622 -2.168 -2.857 1.00 31.14 H new ATOM 0 HG CYS A 20 2.282 -5.143 -2.697 1.00 14.31 H new ATOM 299 N ALA A 21 -1.190 -5.271 -0.496 1.00 72.02 N ATOM 300 CA ALA A 21 -1.664 -6.639 -0.365 1.00 21.31 C ATOM 301 C ALA A 21 -2.409 -7.040 -1.632 1.00 10.10 C ATOM 302 O ALA A 21 -2.990 -6.188 -2.310 1.00 53.12 O ATOM 303 CB ALA A 21 -2.562 -6.785 0.856 1.00 5.01 C ATOM 0 H ALA A 21 -1.857 -4.565 -0.185 1.00 72.02 H new ATOM 0 HA ALA A 21 -0.808 -7.300 -0.229 1.00 21.31 H new ATOM 0 HB1 ALA A 21 -2.905 -7.817 0.934 1.00 5.01 H new ATOM 0 HB2 ALA A 21 -2.002 -6.520 1.753 1.00 5.01 H new ATOM 0 HB3 ALA A 21 -3.422 -6.123 0.756 1.00 5.01 H new ATOM 309 N LEU A 22 -2.387 -8.324 -1.954 1.00 43.42 N ATOM 310 CA LEU A 22 -2.988 -8.811 -3.185 1.00 43.35 C ATOM 311 C LEU A 22 -4.366 -9.406 -2.909 1.00 40.03 C ATOM 312 O LEU A 22 -4.486 -10.483 -2.325 1.00 21.12 O ATOM 313 CB LEU A 22 -2.059 -9.848 -3.838 1.00 65.40 C ATOM 314 CG LEU A 22 -2.345 -10.205 -5.309 1.00 31.34 C ATOM 315 CD1 LEU A 22 -3.574 -11.094 -5.447 1.00 13.34 C ATOM 316 CD2 LEU A 22 -2.513 -8.941 -6.143 1.00 42.14 C ATOM 0 H LEU A 22 -1.958 -9.049 -1.378 1.00 43.42 H new ATOM 0 HA LEU A 22 -3.119 -7.977 -3.875 1.00 43.35 H new ATOM 0 HB2 LEU A 22 -1.036 -9.478 -3.771 1.00 65.40 H new ATOM 0 HB3 LEU A 22 -2.106 -10.765 -3.250 1.00 65.40 H new ATOM 0 HG LEU A 22 -1.487 -10.765 -5.681 1.00 31.34 H new ATOM 0 HD11 LEU A 22 -3.741 -11.323 -6.500 1.00 13.34 H new ATOM 0 HD12 LEU A 22 -3.417 -12.021 -4.895 1.00 13.34 H new ATOM 0 HD13 LEU A 22 -4.445 -10.576 -5.046 1.00 13.34 H new ATOM 0 HD21 LEU A 22 -2.714 -9.213 -7.179 1.00 42.14 H new ATOM 0 HD22 LEU A 22 -3.346 -8.356 -5.753 1.00 42.14 H new ATOM 0 HD23 LEU A 22 -1.599 -8.349 -6.094 1.00 42.14 H new ATOM 328 N VAL A 23 -5.401 -8.692 -3.321 1.00 13.32 N ATOM 329 CA VAL A 23 -6.766 -9.188 -3.211 1.00 3.03 C ATOM 330 C VAL A 23 -7.332 -9.419 -4.606 1.00 74.32 C ATOM 331 O VAL A 23 -7.521 -8.463 -5.362 1.00 65.22 O ATOM 332 CB VAL A 23 -7.677 -8.206 -2.439 1.00 20.31 C ATOM 333 CG1 VAL A 23 -9.074 -8.788 -2.267 1.00 3.20 C ATOM 334 CG2 VAL A 23 -7.069 -7.866 -1.087 1.00 43.51 C ATOM 0 H VAL A 23 -5.323 -7.764 -3.736 1.00 13.32 H new ATOM 0 HA VAL A 23 -6.739 -10.124 -2.652 1.00 3.03 H new ATOM 0 HB VAL A 23 -7.760 -7.288 -3.020 1.00 20.31 H new ATOM 0 HG11 VAL A 23 -9.698 -8.081 -1.721 1.00 3.20 H new ATOM 0 HG12 VAL A 23 -9.512 -8.978 -3.247 1.00 3.20 H new ATOM 0 HG13 VAL A 23 -9.013 -9.723 -1.710 1.00 3.20 H new ATOM 0 HG21 VAL A 23 -7.724 -7.174 -0.557 1.00 43.51 H new ATOM 0 HG22 VAL A 23 -6.954 -8.777 -0.500 1.00 43.51 H new ATOM 0 HG23 VAL A 23 -6.093 -7.403 -1.233 1.00 43.51 H new ATOM 344 N GLU A 24 -7.593 -10.688 -4.936 1.00 61.40 N ATOM 345 CA GLU A 24 -7.992 -11.086 -6.288 1.00 31.50 C ATOM 346 C GLU A 24 -6.840 -10.841 -7.259 1.00 32.12 C ATOM 347 O GLU A 24 -6.050 -11.739 -7.548 1.00 63.32 O ATOM 348 CB GLU A 24 -9.247 -10.329 -6.737 1.00 25.30 C ATOM 349 CG GLU A 24 -10.499 -10.693 -5.959 1.00 23.31 C ATOM 350 CD GLU A 24 -10.949 -12.103 -6.241 1.00 71.11 C ATOM 351 OE1 GLU A 24 -11.585 -12.323 -7.295 1.00 12.11 O ATOM 352 OE2 GLU A 24 -10.662 -13.000 -5.426 1.00 1.32 O ATOM 0 H GLU A 24 -7.534 -11.464 -4.277 1.00 61.40 H new ATOM 0 HA GLU A 24 -8.231 -12.149 -6.281 1.00 31.50 H new ATOM 0 HB2 GLU A 24 -9.068 -9.258 -6.637 1.00 25.30 H new ATOM 0 HB3 GLU A 24 -9.419 -10.526 -7.795 1.00 25.30 H new ATOM 0 HG2 GLU A 24 -10.308 -10.580 -4.892 1.00 23.31 H new ATOM 0 HG3 GLU A 24 -11.300 -9.999 -6.215 1.00 23.31 H new ATOM 359 N GLN A 25 -6.758 -9.617 -7.751 1.00 61.54 N ATOM 360 CA GLN A 25 -5.589 -9.148 -8.474 1.00 14.15 C ATOM 361 C GLN A 25 -5.492 -7.631 -8.346 1.00 0.23 C ATOM 362 O GLN A 25 -4.796 -6.963 -9.108 1.00 33.32 O ATOM 363 CB GLN A 25 -5.593 -9.621 -9.941 1.00 4.51 C ATOM 364 CG GLN A 25 -6.887 -9.404 -10.714 1.00 73.20 C ATOM 365 CD GLN A 25 -7.085 -7.970 -11.164 1.00 40.21 C ATOM 366 OE1 GLN A 25 -6.571 -7.565 -12.205 1.00 21.54 O ATOM 367 NE2 GLN A 25 -7.878 -7.217 -10.425 1.00 63.10 N ATOM 0 H GLN A 25 -7.499 -8.921 -7.661 1.00 61.54 H new ATOM 0 HA GLN A 25 -4.695 -9.586 -8.030 1.00 14.15 H new ATOM 0 HB2 GLN A 25 -4.789 -9.108 -10.468 1.00 4.51 H new ATOM 0 HB3 GLN A 25 -5.358 -10.685 -9.958 1.00 4.51 H new ATOM 0 HG2 GLN A 25 -6.893 -10.056 -11.588 1.00 73.20 H new ATOM 0 HG3 GLN A 25 -7.729 -9.701 -10.089 1.00 73.20 H new ATOM 0 HE21 GLN A 25 -8.284 -7.592 -9.568 1.00 63.10 H new ATOM 0 HE22 GLN A 25 -8.085 -6.260 -10.711 1.00 63.10 H new ATOM 376 N GLN A 26 -6.191 -7.108 -7.340 1.00 51.53 N ATOM 377 CA GLN A 26 -6.140 -5.696 -7.005 1.00 73.12 C ATOM 378 C GLN A 26 -5.240 -5.500 -5.797 1.00 3.31 C ATOM 379 O GLN A 26 -5.392 -6.185 -4.783 1.00 24.33 O ATOM 380 CB GLN A 26 -7.541 -5.160 -6.695 1.00 10.11 C ATOM 381 CG GLN A 26 -8.484 -5.177 -7.886 1.00 51.01 C ATOM 382 CD GLN A 26 -8.049 -4.244 -9.000 1.00 0.21 C ATOM 383 OE1 GLN A 26 -8.283 -4.517 -10.174 1.00 74.25 O ATOM 384 NE2 GLN A 26 -7.426 -3.132 -8.645 1.00 30.03 N ATOM 0 H GLN A 26 -6.806 -7.655 -6.738 1.00 51.53 H new ATOM 0 HA GLN A 26 -5.742 -5.147 -7.858 1.00 73.12 H new ATOM 0 HB2 GLN A 26 -7.976 -5.753 -5.891 1.00 10.11 H new ATOM 0 HB3 GLN A 26 -7.455 -4.138 -6.327 1.00 10.11 H new ATOM 0 HG2 GLN A 26 -8.550 -6.193 -8.276 1.00 51.01 H new ATOM 0 HG3 GLN A 26 -9.484 -4.897 -7.555 1.00 51.01 H new ATOM 0 HE21 GLN A 26 -7.249 -2.939 -7.659 1.00 30.03 H new ATOM 0 HE22 GLN A 26 -7.123 -2.468 -9.357 1.00 30.03 H new ATOM 393 N GLN A 27 -4.297 -4.591 -5.912 1.00 23.45 N ATOM 394 CA GLN A 27 -3.364 -4.334 -4.833 1.00 24.23 C ATOM 395 C GLN A 27 -3.745 -3.079 -4.062 1.00 33.42 C ATOM 396 O GLN A 27 -4.020 -2.031 -4.646 1.00 34.51 O ATOM 397 CB GLN A 27 -1.949 -4.209 -5.391 1.00 22.43 C ATOM 398 CG GLN A 27 -1.441 -5.493 -6.025 1.00 5.33 C ATOM 399 CD GLN A 27 -0.145 -5.296 -6.779 1.00 15.44 C ATOM 400 OE1 GLN A 27 -0.149 -5.020 -7.976 1.00 25.45 O ATOM 401 NE2 GLN A 27 0.971 -5.433 -6.083 1.00 5.04 N ATOM 0 H GLN A 27 -4.155 -4.016 -6.742 1.00 23.45 H new ATOM 0 HA GLN A 27 -3.402 -5.173 -4.139 1.00 24.23 H new ATOM 0 HB2 GLN A 27 -1.927 -3.411 -6.133 1.00 22.43 H new ATOM 0 HB3 GLN A 27 -1.273 -3.916 -4.588 1.00 22.43 H new ATOM 0 HG2 GLN A 27 -1.295 -6.244 -5.249 1.00 5.33 H new ATOM 0 HG3 GLN A 27 -2.198 -5.882 -6.706 1.00 5.33 H new ATOM 0 HE21 GLN A 27 0.928 -5.663 -5.090 1.00 5.04 H new ATOM 0 HE22 GLN A 27 1.875 -5.309 -6.539 1.00 5.04 H new ATOM 410 N ILE A 28 -3.793 -3.202 -2.748 1.00 5.45 N ATOM 411 CA ILE A 28 -4.029 -2.063 -1.881 1.00 72.32 C ATOM 412 C ILE A 28 -2.951 -1.982 -0.810 1.00 23.40 C ATOM 413 O ILE A 28 -2.634 -2.973 -0.155 1.00 0.12 O ATOM 414 CB ILE A 28 -5.437 -2.096 -1.229 1.00 14.03 C ATOM 415 CG1 ILE A 28 -5.954 -3.534 -1.057 1.00 24.14 C ATOM 416 CG2 ILE A 28 -6.419 -1.273 -2.047 1.00 3.51 C ATOM 417 CD1 ILE A 28 -5.353 -4.277 0.117 1.00 0.23 C ATOM 0 H ILE A 28 -3.671 -4.087 -2.255 1.00 5.45 H new ATOM 0 HA ILE A 28 -3.986 -1.170 -2.505 1.00 72.32 H new ATOM 0 HB ILE A 28 -5.349 -1.658 -0.235 1.00 14.03 H new ATOM 0 HG12 ILE A 28 -7.037 -3.506 -0.938 1.00 24.14 H new ATOM 0 HG13 ILE A 28 -5.748 -4.093 -1.970 1.00 24.14 H new ATOM 0 HG21 ILE A 28 -7.402 -1.306 -1.577 1.00 3.51 H new ATOM 0 HG22 ILE A 28 -6.075 -0.240 -2.097 1.00 3.51 H new ATOM 0 HG23 ILE A 28 -6.485 -1.682 -3.055 1.00 3.51 H new ATOM 0 HD11 ILE A 28 -5.772 -5.282 0.165 1.00 0.23 H new ATOM 0 HD12 ILE A 28 -4.272 -4.340 -0.007 1.00 0.23 H new ATOM 0 HD13 ILE A 28 -5.581 -3.744 1.040 1.00 0.23 H new ATOM 429 N ALA A 29 -2.366 -0.806 -0.665 1.00 41.34 N ATOM 430 CA ALA A 29 -1.297 -0.597 0.294 1.00 74.31 C ATOM 431 C ALA A 29 -1.881 -0.270 1.656 1.00 14.04 C ATOM 432 O ALA A 29 -2.507 0.774 1.836 1.00 1.14 O ATOM 433 CB ALA A 29 -0.372 0.512 -0.176 1.00 30.04 C ATOM 0 H ALA A 29 -2.616 0.023 -1.203 1.00 41.34 H new ATOM 0 HA ALA A 29 -0.712 -1.513 0.377 1.00 74.31 H new ATOM 0 HB1 ALA A 29 0.424 0.656 0.555 1.00 30.04 H new ATOM 0 HB2 ALA A 29 0.063 0.240 -1.138 1.00 30.04 H new ATOM 0 HB3 ALA A 29 -0.938 1.437 -0.283 1.00 30.04 H new ATOM 439 N VAL A 30 -1.681 -1.165 2.606 1.00 44.43 N ATOM 440 CA VAL A 30 -2.279 -1.011 3.924 1.00 73.00 C ATOM 441 C VAL A 30 -1.281 -0.393 4.885 1.00 43.42 C ATOM 442 O VAL A 30 -0.403 -1.073 5.419 1.00 1.21 O ATOM 443 CB VAL A 30 -2.782 -2.355 4.494 1.00 54.32 C ATOM 444 CG1 VAL A 30 -3.522 -2.142 5.809 1.00 12.31 C ATOM 445 CG2 VAL A 30 -3.670 -3.071 3.487 1.00 24.11 C ATOM 0 H VAL A 30 -1.112 -2.004 2.493 1.00 44.43 H new ATOM 0 HA VAL A 30 -3.140 -0.352 3.812 1.00 73.00 H new ATOM 0 HB VAL A 30 -1.914 -2.985 4.690 1.00 54.32 H new ATOM 0 HG11 VAL A 30 -3.867 -3.102 6.192 1.00 12.31 H new ATOM 0 HG12 VAL A 30 -2.850 -1.682 6.534 1.00 12.31 H new ATOM 0 HG13 VAL A 30 -4.378 -1.489 5.643 1.00 12.31 H new ATOM 0 HG21 VAL A 30 -4.012 -4.015 3.911 1.00 24.11 H new ATOM 0 HG22 VAL A 30 -4.531 -2.445 3.252 1.00 24.11 H new ATOM 0 HG23 VAL A 30 -3.104 -3.266 2.576 1.00 24.11 H new ATOM 455 N PHE A 31 -1.409 0.907 5.068 1.00 15.35 N ATOM 456 CA PHE A 31 -0.543 1.642 5.964 1.00 50.22 C ATOM 457 C PHE A 31 -1.016 1.501 7.398 1.00 72.21 C ATOM 458 O PHE A 31 -2.180 1.752 7.708 1.00 10.12 O ATOM 459 CB PHE A 31 -0.511 3.127 5.590 1.00 3.24 C ATOM 460 CG PHE A 31 0.204 3.424 4.305 1.00 30.23 C ATOM 461 CD1 PHE A 31 -0.425 3.247 3.083 1.00 64.24 C ATOM 462 CD2 PHE A 31 1.511 3.884 4.321 1.00 31.33 C ATOM 463 CE1 PHE A 31 0.235 3.524 1.902 1.00 34.03 C ATOM 464 CE2 PHE A 31 2.176 4.163 3.143 1.00 25.22 C ATOM 465 CZ PHE A 31 1.537 3.982 1.932 1.00 4.02 C ATOM 0 H PHE A 31 -2.113 1.479 4.602 1.00 15.35 H new ATOM 0 HA PHE A 31 0.460 1.226 5.871 1.00 50.22 H new ATOM 0 HB2 PHE A 31 -1.535 3.493 5.516 1.00 3.24 H new ATOM 0 HB3 PHE A 31 -0.032 3.683 6.396 1.00 3.24 H new ATOM 0 HD1 PHE A 31 -1.443 2.888 3.054 1.00 64.24 H new ATOM 0 HD2 PHE A 31 2.015 4.026 5.265 1.00 31.33 H new ATOM 0 HE1 PHE A 31 -0.267 3.383 0.956 1.00 34.03 H new ATOM 0 HE2 PHE A 31 3.194 4.522 3.169 1.00 25.22 H new ATOM 0 HZ PHE A 31 2.055 4.199 1.010 1.00 4.02 H new ATOM 475 N ARG A 32 -0.115 1.082 8.264 1.00 15.31 N ATOM 476 CA ARG A 32 -0.366 1.105 9.690 1.00 22.23 C ATOM 477 C ARG A 32 0.677 1.988 10.357 1.00 20.52 C ATOM 478 O ARG A 32 1.656 1.494 10.905 1.00 31.13 O ATOM 479 CB ARG A 32 -0.346 -0.305 10.294 1.00 74.54 C ATOM 480 CG ARG A 32 -0.742 -0.327 11.763 1.00 4.23 C ATOM 481 CD ARG A 32 -0.640 -1.718 12.364 1.00 5.51 C ATOM 482 NE ARG A 32 -0.995 -1.720 13.786 1.00 51.34 N ATOM 483 CZ ARG A 32 -0.808 -2.755 14.605 1.00 62.14 C ATOM 484 NH1 ARG A 32 -0.286 -3.887 14.149 1.00 1.54 N ATOM 485 NH2 ARG A 32 -1.152 -2.660 15.881 1.00 32.41 N ATOM 0 H ARG A 32 0.802 0.720 8.003 1.00 15.31 H new ATOM 0 HA ARG A 32 -1.363 1.510 9.864 1.00 22.23 H new ATOM 0 HB2 ARG A 32 -1.025 -0.945 9.731 1.00 74.54 H new ATOM 0 HB3 ARG A 32 0.653 -0.727 10.186 1.00 74.54 H new ATOM 0 HG2 ARG A 32 -0.101 0.356 12.321 1.00 4.23 H new ATOM 0 HG3 ARG A 32 -1.764 0.038 11.868 1.00 4.23 H new ATOM 0 HD2 ARG A 32 -1.299 -2.398 11.823 1.00 5.51 H new ATOM 0 HD3 ARG A 32 0.376 -2.094 12.242 1.00 5.51 H new ATOM 0 HE ARG A 32 -1.412 -0.874 14.174 1.00 51.34 H new ATOM 0 HH11 ARG A 32 -0.025 -3.969 13.166 1.00 1.54 H new ATOM 0 HH12 ARG A 32 -0.146 -4.675 14.781 1.00 1.54 H new ATOM 0 HH21 ARG A 32 -1.560 -1.795 16.236 1.00 32.41 H new ATOM 0 HH22 ARG A 32 -1.009 -3.452 16.508 1.00 32.41 H new ATOM 499 N PRO A 33 0.498 3.316 10.276 1.00 65.44 N ATOM 500 CA PRO A 33 1.476 4.282 10.771 1.00 43.02 C ATOM 501 C PRO A 33 1.437 4.413 12.283 1.00 73.30 C ATOM 502 O PRO A 33 2.384 4.889 12.905 1.00 40.12 O ATOM 503 CB PRO A 33 1.057 5.606 10.115 1.00 41.22 C ATOM 504 CG PRO A 33 -0.071 5.275 9.190 1.00 14.13 C ATOM 505 CD PRO A 33 -0.663 3.989 9.688 1.00 51.05 C ATOM 0 HA PRO A 33 2.495 3.980 10.529 1.00 43.02 H new ATOM 0 HB2 PRO A 33 0.744 6.331 10.867 1.00 41.22 H new ATOM 0 HB3 PRO A 33 1.890 6.051 9.570 1.00 41.22 H new ATOM 0 HG2 PRO A 33 -0.817 6.070 9.186 1.00 14.13 H new ATOM 0 HG3 PRO A 33 0.285 5.168 8.166 1.00 14.13 H new ATOM 0 HD2 PRO A 33 -1.449 4.161 10.424 1.00 51.05 H new ATOM 0 HD3 PRO A 33 -1.105 3.406 8.880 1.00 51.05 H new ATOM 513 N ARG A 34 0.327 4.001 12.861 1.00 43.15 N ATOM 514 CA ARG A 34 0.169 4.019 14.302 1.00 31.25 C ATOM 515 C ARG A 34 0.304 2.611 14.847 1.00 4.33 C ATOM 516 O ARG A 34 0.030 1.638 14.145 1.00 32.51 O ATOM 517 CB ARG A 34 -1.199 4.585 14.693 1.00 50.13 C ATOM 518 CG ARG A 34 -1.406 6.037 14.300 1.00 0.43 C ATOM 519 CD ARG A 34 -2.776 6.531 14.738 1.00 14.10 C ATOM 520 NE ARG A 34 -2.999 7.935 14.385 1.00 30.15 N ATOM 521 CZ ARG A 34 -3.995 8.677 14.872 1.00 52.33 C ATOM 522 NH1 ARG A 34 -4.864 8.150 15.727 1.00 22.51 N ATOM 523 NH2 ARG A 34 -4.120 9.948 14.503 1.00 14.35 N ATOM 0 H ARG A 34 -0.483 3.648 12.352 1.00 43.15 H new ATOM 0 HA ARG A 34 0.945 4.657 14.725 1.00 31.25 H new ATOM 0 HB2 ARG A 34 -1.977 3.980 14.228 1.00 50.13 H new ATOM 0 HB3 ARG A 34 -1.324 4.491 15.772 1.00 50.13 H new ATOM 0 HG2 ARG A 34 -0.631 6.654 14.754 1.00 0.43 H new ATOM 0 HG3 ARG A 34 -1.306 6.143 13.220 1.00 0.43 H new ATOM 0 HD2 ARG A 34 -3.547 5.915 14.275 1.00 14.10 H new ATOM 0 HD3 ARG A 34 -2.876 6.409 15.817 1.00 14.10 H new ATOM 0 HE ARG A 34 -2.354 8.372 13.727 1.00 30.15 H new ATOM 0 HH11 ARG A 34 -4.771 7.175 16.013 1.00 22.51 H new ATOM 0 HH12 ARG A 34 -5.624 8.720 16.098 1.00 22.51 H new ATOM 0 HH21 ARG A 34 -3.454 10.356 13.847 1.00 14.35 H new ATOM 0 HH22 ARG A 34 -4.882 10.515 14.876 1.00 14.35 H new ATOM 537 N ASN A 35 0.717 2.507 16.099 1.00 23.13 N ATOM 538 CA ASN A 35 0.771 1.220 16.785 1.00 24.03 C ATOM 539 C ASN A 35 -0.628 0.818 17.235 1.00 63.43 C ATOM 540 O ASN A 35 -0.821 -0.189 17.918 1.00 4.13 O ATOM 541 CB ASN A 35 1.726 1.276 17.984 1.00 53.44 C ATOM 542 CG ASN A 35 3.173 1.466 17.563 1.00 44.20 C ATOM 543 OD1 ASN A 35 3.568 1.070 16.467 1.00 11.44 O ATOM 544 ND2 ASN A 35 3.973 2.069 18.425 1.00 51.42 N ATOM 0 H ASN A 35 1.021 3.299 16.665 1.00 23.13 H new ATOM 0 HA ASN A 35 1.152 0.471 16.090 1.00 24.03 H new ATOM 0 HB2 ASN A 35 1.431 2.094 18.642 1.00 53.44 H new ATOM 0 HB3 ASN A 35 1.636 0.355 18.560 1.00 53.44 H new ATOM 0 HD21 ASN A 35 4.954 2.220 18.191 1.00 51.42 H new ATOM 0 HD22 ASN A 35 3.609 2.384 19.324 1.00 51.42 H new ATOM 551 N ASP A 36 -1.601 1.620 16.826 1.00 43.15 N ATOM 552 CA ASP A 36 -3.004 1.367 17.110 1.00 22.53 C ATOM 553 C ASP A 36 -3.591 0.510 15.984 1.00 12.35 C ATOM 554 O ASP A 36 -2.846 -0.142 15.248 1.00 14.35 O ATOM 555 CB ASP A 36 -3.750 2.706 17.239 1.00 60.44 C ATOM 556 CG ASP A 36 -5.124 2.571 17.871 1.00 11.15 C ATOM 557 OD1 ASP A 36 -5.214 2.542 19.112 1.00 4.44 O ATOM 558 OD2 ASP A 36 -6.118 2.478 17.124 1.00 72.23 O ATOM 0 H ASP A 36 -1.437 2.469 16.285 1.00 43.15 H new ATOM 0 HA ASP A 36 -3.112 0.828 18.051 1.00 22.53 H new ATOM 0 HB2 ASP A 36 -3.149 3.392 17.836 1.00 60.44 H new ATOM 0 HB3 ASP A 36 -3.855 3.152 16.250 1.00 60.44 H new ATOM 563 N GLU A 37 -4.908 0.515 15.843 1.00 23.24 N ATOM 564 CA GLU A 37 -5.586 -0.327 14.875 1.00 10.23 C ATOM 565 C GLU A 37 -6.139 0.498 13.710 1.00 71.22 C ATOM 566 O GLU A 37 -6.780 -0.035 12.805 1.00 12.25 O ATOM 567 CB GLU A 37 -6.700 -1.092 15.579 1.00 14.42 C ATOM 568 CG GLU A 37 -6.175 -2.080 16.606 1.00 33.54 C ATOM 569 CD GLU A 37 -7.236 -2.541 17.576 1.00 53.11 C ATOM 570 OE1 GLU A 37 -7.412 -1.876 18.618 1.00 71.22 O ATOM 571 OE2 GLU A 37 -7.889 -3.572 17.313 1.00 62.21 O ATOM 0 H GLU A 37 -5.533 1.102 16.396 1.00 23.24 H new ATOM 0 HA GLU A 37 -4.871 -1.033 14.454 1.00 10.23 H new ATOM 0 HB2 GLU A 37 -7.367 -0.384 16.070 1.00 14.42 H new ATOM 0 HB3 GLU A 37 -7.293 -1.626 14.837 1.00 14.42 H new ATOM 0 HG2 GLU A 37 -5.761 -2.946 16.090 1.00 33.54 H new ATOM 0 HG3 GLU A 37 -5.358 -1.619 17.161 1.00 33.54 H new ATOM 578 N GLN A 38 -5.876 1.800 13.737 1.00 51.33 N ATOM 579 CA GLN A 38 -6.294 2.686 12.659 1.00 40.43 C ATOM 580 C GLN A 38 -5.388 2.492 11.441 1.00 32.11 C ATOM 581 O GLN A 38 -4.245 2.958 11.423 1.00 0.22 O ATOM 582 CB GLN A 38 -6.258 4.146 13.124 1.00 1.24 C ATOM 583 CG GLN A 38 -6.814 5.139 12.110 1.00 32.54 C ATOM 584 CD GLN A 38 -8.272 4.885 11.778 1.00 44.11 C ATOM 585 OE1 GLN A 38 -9.170 5.380 12.458 1.00 33.22 O ATOM 586 NE2 GLN A 38 -8.522 4.130 10.716 1.00 21.45 N ATOM 0 H GLN A 38 -5.375 2.265 14.494 1.00 51.33 H new ATOM 0 HA GLN A 38 -7.318 2.439 12.378 1.00 40.43 H new ATOM 0 HB2 GLN A 38 -6.825 4.234 14.051 1.00 1.24 H new ATOM 0 HB3 GLN A 38 -5.228 4.417 13.354 1.00 1.24 H new ATOM 0 HG2 GLN A 38 -6.706 6.150 12.502 1.00 32.54 H new ATOM 0 HG3 GLN A 38 -6.223 5.087 11.195 1.00 32.54 H new ATOM 0 HE21 GLN A 38 -7.751 3.737 10.177 1.00 21.45 H new ATOM 0 HE22 GLN A 38 -9.486 3.943 10.439 1.00 21.45 H new ATOM 595 N VAL A 39 -5.898 1.781 10.444 1.00 31.10 N ATOM 596 CA VAL A 39 -5.133 1.489 9.236 1.00 24.31 C ATOM 597 C VAL A 39 -5.608 2.334 8.062 1.00 61.22 C ATOM 598 O VAL A 39 -6.692 2.918 8.103 1.00 54.14 O ATOM 599 CB VAL A 39 -5.231 -0.002 8.846 1.00 21.22 C ATOM 600 CG1 VAL A 39 -4.634 -0.873 9.936 1.00 71.22 C ATOM 601 CG2 VAL A 39 -6.677 -0.402 8.573 1.00 22.21 C ATOM 0 H VAL A 39 -6.842 1.394 10.447 1.00 31.10 H new ATOM 0 HA VAL A 39 -4.095 1.732 9.462 1.00 24.31 H new ATOM 0 HB VAL A 39 -4.662 -0.152 7.929 1.00 21.22 H new ATOM 0 HG11 VAL A 39 -4.710 -1.921 9.647 1.00 71.22 H new ATOM 0 HG12 VAL A 39 -3.585 -0.611 10.078 1.00 71.22 H new ATOM 0 HG13 VAL A 39 -5.177 -0.713 10.868 1.00 71.22 H new ATOM 0 HG21 VAL A 39 -6.718 -1.457 8.301 1.00 22.21 H new ATOM 0 HG22 VAL A 39 -7.276 -0.235 9.468 1.00 22.21 H new ATOM 0 HG23 VAL A 39 -7.073 0.200 7.755 1.00 22.21 H new ATOM 611 N TYR A 40 -4.785 2.391 7.025 1.00 54.41 N ATOM 612 CA TYR A 40 -5.111 3.121 5.808 1.00 15.22 C ATOM 613 C TYR A 40 -4.755 2.291 4.584 1.00 12.25 C ATOM 614 O TYR A 40 -3.586 2.197 4.218 1.00 43.51 O ATOM 615 CB TYR A 40 -4.342 4.441 5.751 1.00 2.30 C ATOM 616 CG TYR A 40 -4.759 5.450 6.799 1.00 24.43 C ATOM 617 CD1 TYR A 40 -5.859 6.275 6.598 1.00 11.23 C ATOM 618 CD2 TYR A 40 -4.053 5.577 7.989 1.00 65.05 C ATOM 619 CE1 TYR A 40 -6.243 7.197 7.553 1.00 12.32 C ATOM 620 CE2 TYR A 40 -4.429 6.497 8.949 1.00 30.22 C ATOM 621 CZ TYR A 40 -5.525 7.303 8.727 1.00 13.23 C ATOM 622 OH TYR A 40 -5.907 8.218 9.681 1.00 22.52 O ATOM 0 H TYR A 40 -3.874 1.933 7.003 1.00 54.41 H new ATOM 0 HA TYR A 40 -6.182 3.325 5.815 1.00 15.22 H new ATOM 0 HB2 TYR A 40 -3.278 4.234 5.866 1.00 2.30 H new ATOM 0 HB3 TYR A 40 -4.475 4.884 4.764 1.00 2.30 H new ATOM 0 HD1 TYR A 40 -6.423 6.194 5.680 1.00 11.23 H new ATOM 0 HD2 TYR A 40 -3.195 4.945 8.167 1.00 65.05 H new ATOM 0 HE1 TYR A 40 -7.100 7.831 7.382 1.00 12.32 H new ATOM 0 HE2 TYR A 40 -3.868 6.584 9.868 1.00 30.22 H new ATOM 0 HH TYR A 40 -5.298 8.165 10.447 1.00 22.52 H new ATOM 632 N ALA A 41 -5.750 1.681 3.962 1.00 74.34 N ATOM 633 CA ALA A 41 -5.510 0.866 2.780 1.00 71.31 C ATOM 634 C ALA A 41 -5.853 1.636 1.511 1.00 45.23 C ATOM 635 O ALA A 41 -7.008 1.688 1.092 1.00 13.31 O ATOM 636 CB ALA A 41 -6.300 -0.431 2.850 1.00 12.53 C ATOM 0 H ALA A 41 -6.726 1.733 4.252 1.00 74.34 H new ATOM 0 HA ALA A 41 -4.449 0.618 2.751 1.00 71.31 H new ATOM 0 HB1 ALA A 41 -6.105 -1.024 1.957 1.00 12.53 H new ATOM 0 HB2 ALA A 41 -5.997 -0.994 3.733 1.00 12.53 H new ATOM 0 HB3 ALA A 41 -7.365 -0.206 2.911 1.00 12.53 H new ATOM 642 N ILE A 42 -4.843 2.249 0.914 1.00 74.11 N ATOM 643 CA ILE A 42 -5.030 3.023 -0.303 1.00 74.33 C ATOM 644 C ILE A 42 -4.278 2.375 -1.458 1.00 63.44 C ATOM 645 O ILE A 42 -3.405 1.539 -1.244 1.00 14.41 O ATOM 646 CB ILE A 42 -4.549 4.482 -0.139 1.00 25.23 C ATOM 647 CG1 ILE A 42 -3.050 4.524 0.174 1.00 33.33 C ATOM 648 CG2 ILE A 42 -5.344 5.181 0.955 1.00 43.14 C ATOM 649 CD1 ILE A 42 -2.477 5.925 0.206 1.00 41.11 C ATOM 0 H ILE A 42 -3.882 2.225 1.254 1.00 74.11 H new ATOM 0 HA ILE A 42 -6.099 3.038 -0.514 1.00 74.33 H new ATOM 0 HB ILE A 42 -4.716 5.009 -1.079 1.00 25.23 H new ATOM 0 HG12 ILE A 42 -2.875 4.047 1.138 1.00 33.33 H new ATOM 0 HG13 ILE A 42 -2.515 3.938 -0.573 1.00 33.33 H new ATOM 0 HG21 ILE A 42 -4.994 6.208 1.059 1.00 43.14 H new ATOM 0 HG22 ILE A 42 -6.402 5.183 0.691 1.00 43.14 H new ATOM 0 HG23 ILE A 42 -5.206 4.653 1.899 1.00 43.14 H new ATOM 0 HD11 ILE A 42 -1.412 5.877 0.433 1.00 41.11 H new ATOM 0 HD12 ILE A 42 -2.620 6.399 -0.765 1.00 41.11 H new ATOM 0 HD13 ILE A 42 -2.986 6.509 0.973 1.00 41.11 H new ATOM 661 N SER A 43 -4.601 2.764 -2.677 1.00 74.10 N ATOM 662 CA SER A 43 -3.959 2.195 -3.849 1.00 11.22 C ATOM 663 C SER A 43 -2.612 2.867 -4.104 1.00 31.53 C ATOM 664 O SER A 43 -2.437 3.590 -5.085 1.00 2.21 O ATOM 665 CB SER A 43 -4.866 2.332 -5.072 1.00 25.30 C ATOM 666 OG SER A 43 -6.130 1.732 -4.834 1.00 31.45 O ATOM 0 H SER A 43 -5.305 3.473 -2.883 1.00 74.10 H new ATOM 0 HA SER A 43 -3.783 1.135 -3.665 1.00 11.22 H new ATOM 0 HB2 SER A 43 -4.999 3.386 -5.315 1.00 25.30 H new ATOM 0 HB3 SER A 43 -4.393 1.863 -5.935 1.00 25.30 H new ATOM 0 HG SER A 43 -6.746 1.968 -5.559 1.00 31.45 H new ATOM 672 N ASN A 44 -1.677 2.644 -3.191 1.00 32.42 N ATOM 673 CA ASN A 44 -0.323 3.167 -3.328 1.00 10.34 C ATOM 674 C ASN A 44 0.540 2.124 -4.019 1.00 33.24 C ATOM 675 O ASN A 44 1.091 1.229 -3.376 1.00 24.53 O ATOM 676 CB ASN A 44 0.249 3.544 -1.951 1.00 4.11 C ATOM 677 CG ASN A 44 1.647 4.147 -2.012 1.00 23.02 C ATOM 678 OD1 ASN A 44 2.473 3.761 -2.832 1.00 31.22 O ATOM 679 ND2 ASN A 44 1.919 5.105 -1.139 1.00 1.13 N ATOM 0 H ASN A 44 -1.832 2.101 -2.342 1.00 32.42 H new ATOM 0 HA ASN A 44 -0.335 4.073 -3.934 1.00 10.34 H new ATOM 0 HB2 ASN A 44 -0.423 4.255 -1.471 1.00 4.11 H new ATOM 0 HB3 ASN A 44 0.274 2.654 -1.322 1.00 4.11 H new ATOM 0 HD21 ASN A 44 2.839 5.546 -1.135 1.00 1.13 H new ATOM 0 HD22 ASN A 44 1.209 5.402 -0.470 1.00 1.13 H new ATOM 686 N ILE A 45 0.610 2.224 -5.338 1.00 43.05 N ATOM 687 CA ILE A 45 1.293 1.233 -6.155 1.00 54.54 C ATOM 688 C ILE A 45 2.114 1.920 -7.235 1.00 40.21 C ATOM 689 O ILE A 45 1.716 2.963 -7.752 1.00 1.22 O ATOM 690 CB ILE A 45 0.282 0.293 -6.858 1.00 61.10 C ATOM 691 CG1 ILE A 45 -0.826 -0.150 -5.901 1.00 34.12 C ATOM 692 CG2 ILE A 45 0.994 -0.925 -7.425 1.00 64.30 C ATOM 693 CD1 ILE A 45 -1.952 -0.879 -6.594 1.00 42.12 C ATOM 0 H ILE A 45 0.197 2.990 -5.870 1.00 43.05 H new ATOM 0 HA ILE A 45 1.934 0.653 -5.491 1.00 54.54 H new ATOM 0 HB ILE A 45 -0.176 0.852 -7.674 1.00 61.10 H new ATOM 0 HG12 ILE A 45 -0.399 -0.798 -5.135 1.00 34.12 H new ATOM 0 HG13 ILE A 45 -1.228 0.725 -5.390 1.00 34.12 H new ATOM 0 HG21 ILE A 45 0.269 -1.575 -7.915 1.00 64.30 H new ATOM 0 HG22 ILE A 45 1.742 -0.604 -8.150 1.00 64.30 H new ATOM 0 HG23 ILE A 45 1.482 -1.470 -6.617 1.00 64.30 H new ATOM 0 HD11 ILE A 45 -2.705 -1.166 -5.860 1.00 42.12 H new ATOM 0 HD12 ILE A 45 -2.403 -0.226 -7.341 1.00 42.12 H new ATOM 0 HD13 ILE A 45 -1.561 -1.772 -7.082 1.00 42.12 H new ATOM 705 N ASP A 46 3.262 1.349 -7.562 1.00 61.30 N ATOM 706 CA ASP A 46 4.032 1.804 -8.706 1.00 13.32 C ATOM 707 C ASP A 46 3.572 1.045 -9.946 1.00 21.12 C ATOM 708 O ASP A 46 3.302 -0.155 -9.883 1.00 32.45 O ATOM 709 CB ASP A 46 5.533 1.590 -8.493 1.00 24.33 C ATOM 710 CG ASP A 46 5.951 0.143 -8.653 1.00 40.24 C ATOM 711 OD1 ASP A 46 5.912 -0.610 -7.662 1.00 53.11 O ATOM 712 OD2 ASP A 46 6.322 -0.246 -9.777 1.00 63.31 O ATOM 0 H ASP A 46 3.680 0.571 -7.052 1.00 61.30 H new ATOM 0 HA ASP A 46 3.865 2.874 -8.834 1.00 13.32 H new ATOM 0 HB2 ASP A 46 6.087 2.204 -9.204 1.00 24.33 H new ATOM 0 HB3 ASP A 46 5.806 1.933 -7.495 1.00 24.33 H new ATOM 717 N PRO A 47 3.467 1.725 -11.090 1.00 51.42 N ATOM 718 CA PRO A 47 2.992 1.112 -12.324 1.00 43.22 C ATOM 719 C PRO A 47 4.092 0.380 -13.086 1.00 54.32 C ATOM 720 O PRO A 47 3.926 0.041 -14.256 1.00 60.34 O ATOM 721 CB PRO A 47 2.475 2.305 -13.147 1.00 73.10 C ATOM 722 CG PRO A 47 2.794 3.542 -12.356 1.00 70.35 C ATOM 723 CD PRO A 47 3.772 3.141 -11.286 1.00 64.32 C ATOM 0 HA PRO A 47 2.237 0.352 -12.125 1.00 43.22 H new ATOM 0 HB2 PRO A 47 2.953 2.337 -14.126 1.00 73.10 H new ATOM 0 HB3 PRO A 47 1.402 2.221 -13.319 1.00 73.10 H new ATOM 0 HG2 PRO A 47 3.221 4.312 -12.999 1.00 70.35 H new ATOM 0 HG3 PRO A 47 1.890 3.961 -11.914 1.00 70.35 H new ATOM 0 HD2 PRO A 47 4.804 3.293 -11.602 1.00 64.32 H new ATOM 0 HD3 PRO A 47 3.631 3.717 -10.371 1.00 64.32 H new ATOM 731 N PHE A 48 5.211 0.122 -12.425 1.00 20.34 N ATOM 732 CA PHE A 48 6.326 -0.543 -13.074 1.00 51.24 C ATOM 733 C PHE A 48 6.369 -2.018 -12.686 1.00 61.02 C ATOM 734 O PHE A 48 6.316 -2.896 -13.546 1.00 2.01 O ATOM 735 CB PHE A 48 7.643 0.144 -12.709 1.00 34.31 C ATOM 736 CG PHE A 48 8.828 -0.398 -13.451 1.00 71.32 C ATOM 737 CD1 PHE A 48 9.026 -0.082 -14.784 1.00 3.23 C ATOM 738 CD2 PHE A 48 9.744 -1.222 -12.819 1.00 12.55 C ATOM 739 CE1 PHE A 48 10.115 -0.576 -15.473 1.00 41.23 C ATOM 740 CE2 PHE A 48 10.835 -1.719 -13.503 1.00 21.43 C ATOM 741 CZ PHE A 48 11.021 -1.395 -14.832 1.00 52.31 C ATOM 0 H PHE A 48 5.369 0.362 -11.446 1.00 20.34 H new ATOM 0 HA PHE A 48 6.187 -0.475 -14.153 1.00 51.24 H new ATOM 0 HB2 PHE A 48 7.555 1.211 -12.912 1.00 34.31 H new ATOM 0 HB3 PHE A 48 7.815 0.036 -11.638 1.00 34.31 H new ATOM 0 HD1 PHE A 48 8.320 0.559 -15.291 1.00 3.23 H new ATOM 0 HD2 PHE A 48 9.603 -1.479 -11.779 1.00 12.55 H new ATOM 0 HE1 PHE A 48 10.258 -0.322 -16.513 1.00 41.23 H new ATOM 0 HE2 PHE A 48 11.542 -2.361 -12.999 1.00 21.43 H new ATOM 0 HZ PHE A 48 11.874 -1.782 -15.369 1.00 52.31 H new ATOM 751 N ALA A 49 6.436 -2.282 -11.389 1.00 75.24 N ATOM 752 CA ALA A 49 6.551 -3.644 -10.890 1.00 51.01 C ATOM 753 C ALA A 49 5.380 -3.983 -9.984 1.00 22.20 C ATOM 754 O ALA A 49 5.273 -5.101 -9.480 1.00 53.40 O ATOM 755 CB ALA A 49 7.868 -3.828 -10.150 1.00 12.21 C ATOM 0 H ALA A 49 6.413 -1.568 -10.661 1.00 75.24 H new ATOM 0 HA ALA A 49 6.533 -4.325 -11.741 1.00 51.01 H new ATOM 0 HB1 ALA A 49 7.939 -4.852 -9.783 1.00 12.21 H new ATOM 0 HB2 ALA A 49 8.697 -3.627 -10.828 1.00 12.21 H new ATOM 0 HB3 ALA A 49 7.912 -3.137 -9.308 1.00 12.21 H new ATOM 761 N GLN A 50 4.513 -2.998 -9.775 1.00 31.24 N ATOM 762 CA GLN A 50 3.292 -3.176 -9.001 1.00 62.14 C ATOM 763 C GLN A 50 3.587 -3.542 -7.542 1.00 44.11 C ATOM 764 O GLN A 50 3.416 -4.689 -7.123 1.00 70.14 O ATOM 765 CB GLN A 50 2.390 -4.231 -9.653 1.00 64.10 C ATOM 766 CG GLN A 50 1.908 -3.846 -11.045 1.00 10.30 C ATOM 767 CD GLN A 50 0.787 -2.824 -11.022 1.00 60.21 C ATOM 768 OE1 GLN A 50 -0.390 -3.175 -11.034 1.00 73.32 O ATOM 769 NE2 GLN A 50 1.143 -1.551 -10.963 1.00 32.53 N ATOM 0 H GLN A 50 4.638 -2.053 -10.138 1.00 31.24 H new ATOM 0 HA GLN A 50 2.767 -2.221 -8.995 1.00 62.14 H new ATOM 0 HB2 GLN A 50 2.934 -5.174 -9.714 1.00 64.10 H new ATOM 0 HB3 GLN A 50 1.525 -4.403 -9.013 1.00 64.10 H new ATOM 0 HG2 GLN A 50 2.746 -3.446 -11.616 1.00 10.30 H new ATOM 0 HG3 GLN A 50 1.566 -4.741 -11.566 1.00 10.30 H new ATOM 0 HE21 GLN A 50 2.131 -1.298 -10.955 1.00 32.53 H new ATOM 0 HE22 GLN A 50 0.429 -0.823 -10.926 1.00 32.53 H new ATOM 778 N ALA A 51 4.072 -2.560 -6.797 1.00 45.01 N ATOM 779 CA ALA A 51 4.289 -2.683 -5.360 1.00 23.02 C ATOM 780 C ALA A 51 4.175 -1.312 -4.718 1.00 22.23 C ATOM 781 O ALA A 51 4.059 -0.303 -5.414 1.00 33.24 O ATOM 782 CB ALA A 51 5.653 -3.298 -5.075 1.00 63.12 C ATOM 0 H ALA A 51 4.329 -1.648 -7.174 1.00 45.01 H new ATOM 0 HA ALA A 51 3.531 -3.342 -4.936 1.00 23.02 H new ATOM 0 HB1 ALA A 51 5.797 -3.382 -3.998 1.00 63.12 H new ATOM 0 HB2 ALA A 51 5.707 -4.289 -5.526 1.00 63.12 H new ATOM 0 HB3 ALA A 51 6.433 -2.664 -5.497 1.00 63.12 H new ATOM 788 N SER A 52 4.204 -1.262 -3.401 1.00 51.04 N ATOM 789 CA SER A 52 4.070 0.002 -2.709 1.00 33.10 C ATOM 790 C SER A 52 5.448 0.596 -2.442 1.00 30.24 C ATOM 791 O SER A 52 5.895 0.688 -1.298 1.00 1.14 O ATOM 792 CB SER A 52 3.292 -0.177 -1.403 1.00 73.11 C ATOM 793 OG SER A 52 2.817 1.065 -0.915 1.00 45.34 O ATOM 0 H SER A 52 4.318 -2.074 -2.794 1.00 51.04 H new ATOM 0 HA SER A 52 3.509 0.691 -3.340 1.00 33.10 H new ATOM 0 HB2 SER A 52 2.452 -0.852 -1.567 1.00 73.11 H new ATOM 0 HB3 SER A 52 3.934 -0.643 -0.655 1.00 73.11 H new ATOM 0 HG SER A 52 2.165 1.437 -1.546 1.00 45.34 H new ATOM 799 N VAL A 53 6.136 0.970 -3.509 1.00 25.21 N ATOM 800 CA VAL A 53 7.454 1.580 -3.384 1.00 60.03 C ATOM 801 C VAL A 53 7.322 3.081 -3.164 1.00 44.14 C ATOM 802 O VAL A 53 8.286 3.759 -2.826 1.00 55.15 O ATOM 803 CB VAL A 53 8.341 1.311 -4.616 1.00 62.21 C ATOM 804 CG1 VAL A 53 8.540 -0.185 -4.815 1.00 63.22 C ATOM 805 CG2 VAL A 53 7.749 1.952 -5.861 1.00 2.22 C ATOM 0 H VAL A 53 5.807 0.863 -4.469 1.00 25.21 H new ATOM 0 HA VAL A 53 7.938 1.122 -2.521 1.00 60.03 H new ATOM 0 HB VAL A 53 9.317 1.763 -4.440 1.00 62.21 H new ATOM 0 HG11 VAL A 53 9.169 -0.355 -5.689 1.00 63.22 H new ATOM 0 HG12 VAL A 53 9.022 -0.608 -3.934 1.00 63.22 H new ATOM 0 HG13 VAL A 53 7.572 -0.664 -4.965 1.00 63.22 H new ATOM 0 HG21 VAL A 53 8.393 1.748 -6.716 1.00 2.22 H new ATOM 0 HG22 VAL A 53 6.757 1.539 -6.046 1.00 2.22 H new ATOM 0 HG23 VAL A 53 7.672 3.029 -5.714 1.00 2.22 H new ATOM 815 N LEU A 54 6.105 3.583 -3.343 1.00 5.23 N ATOM 816 CA LEU A 54 5.803 4.990 -3.112 1.00 32.32 C ATOM 817 C LEU A 54 5.456 5.209 -1.641 1.00 20.35 C ATOM 818 O LEU A 54 4.999 6.281 -1.246 1.00 72.43 O ATOM 819 CB LEU A 54 4.638 5.433 -4.007 1.00 62.52 C ATOM 820 CG LEU A 54 4.879 5.305 -5.512 1.00 40.31 C ATOM 821 CD1 LEU A 54 3.618 5.665 -6.285 1.00 32.50 C ATOM 822 CD2 LEU A 54 6.044 6.183 -5.946 1.00 25.24 C ATOM 0 H LEU A 54 5.305 3.030 -3.650 1.00 5.23 H new ATOM 0 HA LEU A 54 6.679 5.589 -3.361 1.00 32.32 H new ATOM 0 HB2 LEU A 54 3.758 4.845 -3.746 1.00 62.52 H new ATOM 0 HB3 LEU A 54 4.404 6.473 -3.781 1.00 62.52 H new ATOM 0 HG LEU A 54 5.134 4.268 -5.733 1.00 40.31 H new ATOM 0 HD11 LEU A 54 3.807 5.569 -7.354 1.00 32.50 H new ATOM 0 HD12 LEU A 54 2.810 4.992 -5.997 1.00 32.50 H new ATOM 0 HD13 LEU A 54 3.333 6.692 -6.058 1.00 32.50 H new ATOM 0 HD21 LEU A 54 6.199 6.077 -7.020 1.00 25.24 H new ATOM 0 HD22 LEU A 54 5.822 7.224 -5.712 1.00 25.24 H new ATOM 0 HD23 LEU A 54 6.947 5.877 -5.417 1.00 25.24 H new ATOM 834 N SER A 55 5.684 4.173 -0.843 1.00 33.33 N ATOM 835 CA SER A 55 5.427 4.218 0.585 1.00 22.34 C ATOM 836 C SER A 55 6.618 4.832 1.313 1.00 5.04 C ATOM 837 O SER A 55 6.492 5.882 1.945 1.00 20.43 O ATOM 838 CB SER A 55 5.151 2.802 1.106 1.00 10.12 C ATOM 839 OG SER A 55 4.962 2.788 2.512 1.00 31.40 O ATOM 0 H SER A 55 6.052 3.280 -1.171 1.00 33.33 H new ATOM 0 HA SER A 55 4.551 4.839 0.773 1.00 22.34 H new ATOM 0 HB2 SER A 55 4.264 2.400 0.616 1.00 10.12 H new ATOM 0 HB3 SER A 55 5.984 2.149 0.844 1.00 10.12 H new ATOM 0 HG SER A 55 4.070 3.132 2.726 1.00 31.40 H new ATOM 845 N ARG A 56 7.770 4.154 1.232 1.00 41.22 N ATOM 846 CA ARG A 56 9.022 4.618 1.848 1.00 62.04 C ATOM 847 C ARG A 56 8.957 4.517 3.378 1.00 4.44 C ATOM 848 O ARG A 56 9.971 4.646 4.067 1.00 35.54 O ATOM 849 CB ARG A 56 9.326 6.059 1.417 1.00 2.41 C ATOM 850 CG ARG A 56 10.712 6.556 1.795 1.00 53.02 C ATOM 851 CD ARG A 56 10.900 8.007 1.387 1.00 41.11 C ATOM 852 NE ARG A 56 12.269 8.475 1.585 1.00 72.24 N ATOM 853 CZ ARG A 56 12.766 9.568 1.008 1.00 21.14 C ATOM 854 NH1 ARG A 56 12.006 10.295 0.195 1.00 41.45 N ATOM 855 NH2 ARG A 56 14.017 9.935 1.238 1.00 23.52 N ATOM 0 H ARG A 56 7.861 3.267 0.737 1.00 41.22 H new ATOM 0 HA ARG A 56 9.829 3.971 1.503 1.00 62.04 H new ATOM 0 HB2 ARG A 56 9.211 6.132 0.336 1.00 2.41 H new ATOM 0 HB3 ARG A 56 8.583 6.721 1.862 1.00 2.41 H new ATOM 0 HG2 ARG A 56 10.858 6.455 2.871 1.00 53.02 H new ATOM 0 HG3 ARG A 56 11.468 5.938 1.312 1.00 53.02 H new ATOM 0 HD2 ARG A 56 10.629 8.123 0.338 1.00 41.11 H new ATOM 0 HD3 ARG A 56 10.219 8.633 1.963 1.00 41.11 H new ATOM 0 HE ARG A 56 12.879 7.935 2.199 1.00 72.24 H new ATOM 0 HH11 ARG A 56 11.042 10.016 0.013 1.00 41.45 H new ATOM 0 HH12 ARG A 56 12.387 11.132 -0.247 1.00 41.45 H new ATOM 0 HH21 ARG A 56 14.605 9.380 1.860 1.00 23.52 H new ATOM 0 HH22 ARG A 56 14.393 10.773 0.794 1.00 23.52 H new ATOM 869 N GLY A 57 7.761 4.278 3.901 1.00 60.31 N ATOM 870 CA GLY A 57 7.567 4.205 5.335 1.00 3.12 C ATOM 871 C GLY A 57 7.534 5.576 5.980 1.00 62.45 C ATOM 872 O GLY A 57 7.465 5.694 7.203 1.00 21.24 O ATOM 0 H GLY A 57 6.915 4.132 3.351 1.00 60.31 H new ATOM 0 HA2 GLY A 57 6.634 3.683 5.547 1.00 3.12 H new ATOM 0 HA3 GLY A 57 8.370 3.616 5.779 1.00 3.12 H new ATOM 876 N ILE A 58 7.569 6.614 5.157 1.00 51.15 N ATOM 877 CA ILE A 58 7.605 7.976 5.658 1.00 55.01 C ATOM 878 C ILE A 58 6.219 8.591 5.638 1.00 53.22 C ATOM 879 O ILE A 58 5.678 8.932 4.583 1.00 32.35 O ATOM 880 CB ILE A 58 8.577 8.868 4.853 1.00 51.41 C ATOM 881 CG1 ILE A 58 9.997 8.287 4.883 1.00 32.13 C ATOM 882 CG2 ILE A 58 8.572 10.290 5.398 1.00 65.31 C ATOM 883 CD1 ILE A 58 10.583 8.164 6.275 1.00 34.25 C ATOM 0 H ILE A 58 7.573 6.537 4.140 1.00 51.15 H new ATOM 0 HA ILE A 58 7.967 7.924 6.685 1.00 55.01 H new ATOM 0 HB ILE A 58 8.239 8.893 3.817 1.00 51.41 H new ATOM 0 HG12 ILE A 58 9.985 7.302 4.416 1.00 32.13 H new ATOM 0 HG13 ILE A 58 10.650 8.918 4.280 1.00 32.13 H new ATOM 0 HG21 ILE A 58 9.262 10.904 4.819 1.00 65.31 H new ATOM 0 HG22 ILE A 58 7.567 10.705 5.323 1.00 65.31 H new ATOM 0 HG23 ILE A 58 8.884 10.280 6.442 1.00 65.31 H new ATOM 0 HD11 ILE A 58 11.588 7.746 6.211 1.00 34.25 H new ATOM 0 HD12 ILE A 58 10.629 9.149 6.739 1.00 34.25 H new ATOM 0 HD13 ILE A 58 9.955 7.508 6.878 1.00 34.25 H new ATOM 895 N VAL A 59 5.648 8.702 6.822 1.00 41.42 N ATOM 896 CA VAL A 59 4.349 9.312 6.997 1.00 24.13 C ATOM 897 C VAL A 59 4.515 10.750 7.466 1.00 71.53 C ATOM 898 O VAL A 59 4.815 11.002 8.635 1.00 34.34 O ATOM 899 CB VAL A 59 3.505 8.526 8.019 1.00 54.51 C ATOM 900 CG1 VAL A 59 2.152 9.188 8.238 1.00 22.24 C ATOM 901 CG2 VAL A 59 3.326 7.083 7.568 1.00 12.45 C ATOM 0 H VAL A 59 6.073 8.371 7.688 1.00 41.42 H new ATOM 0 HA VAL A 59 3.831 9.297 6.038 1.00 24.13 H new ATOM 0 HB VAL A 59 4.039 8.529 8.969 1.00 54.51 H new ATOM 0 HG11 VAL A 59 1.578 8.612 8.964 1.00 22.24 H new ATOM 0 HG12 VAL A 59 2.299 10.201 8.613 1.00 22.24 H new ATOM 0 HG13 VAL A 59 1.609 9.226 7.294 1.00 22.24 H new ATOM 0 HG21 VAL A 59 2.727 6.544 8.302 1.00 12.45 H new ATOM 0 HG22 VAL A 59 2.820 7.064 6.603 1.00 12.45 H new ATOM 0 HG23 VAL A 59 4.302 6.607 7.476 1.00 12.45 H new ATOM 911 N ALA A 60 4.355 11.682 6.546 1.00 31.23 N ATOM 912 CA ALA A 60 4.496 13.090 6.862 1.00 61.35 C ATOM 913 C ALA A 60 3.150 13.686 7.243 1.00 62.45 C ATOM 914 O ALA A 60 2.096 13.165 6.866 1.00 61.24 O ATOM 915 CB ALA A 60 5.102 13.841 5.687 1.00 43.32 C ATOM 0 H ALA A 60 4.127 11.488 5.571 1.00 31.23 H new ATOM 0 HA ALA A 60 5.168 13.188 7.714 1.00 61.35 H new ATOM 0 HB1 ALA A 60 5.201 14.896 5.942 1.00 43.32 H new ATOM 0 HB2 ALA A 60 6.085 13.429 5.460 1.00 43.32 H new ATOM 0 HB3 ALA A 60 4.455 13.737 4.816 1.00 43.32 H new ATOM 921 N GLU A 61 3.189 14.775 7.983 1.00 12.51 N ATOM 922 CA GLU A 61 1.980 15.419 8.457 1.00 52.13 C ATOM 923 C GLU A 61 2.015 16.903 8.125 1.00 15.12 C ATOM 924 O GLU A 61 2.986 17.594 8.440 1.00 55.43 O ATOM 925 CB GLU A 61 1.844 15.223 9.968 1.00 22.20 C ATOM 926 CG GLU A 61 0.587 15.838 10.557 1.00 51.20 C ATOM 927 CD GLU A 61 0.590 15.812 12.069 1.00 12.21 C ATOM 928 OE1 GLU A 61 1.102 16.771 12.678 1.00 71.32 O ATOM 929 OE2 GLU A 61 0.088 14.829 12.657 1.00 21.11 O ATOM 0 H GLU A 61 4.052 15.236 8.271 1.00 12.51 H new ATOM 0 HA GLU A 61 1.120 14.968 7.962 1.00 52.13 H new ATOM 0 HB2 GLU A 61 1.852 14.156 10.188 1.00 22.20 H new ATOM 0 HB3 GLU A 61 2.714 15.657 10.461 1.00 22.20 H new ATOM 0 HG2 GLU A 61 0.494 16.868 10.214 1.00 51.20 H new ATOM 0 HG3 GLU A 61 -0.286 15.299 10.188 1.00 51.20 H new ATOM 936 N HIS A 62 0.970 17.386 7.472 1.00 13.25 N ATOM 937 CA HIS A 62 0.862 18.805 7.178 1.00 70.15 C ATOM 938 C HIS A 62 0.379 19.524 8.429 1.00 64.12 C ATOM 939 O HIS A 62 0.934 20.543 8.834 1.00 23.44 O ATOM 940 CB HIS A 62 -0.107 19.044 6.019 1.00 21.44 C ATOM 941 CG HIS A 62 0.040 20.395 5.383 1.00 61.42 C ATOM 942 ND1 HIS A 62 -0.497 21.524 5.952 1.00 11.41 N ATOM 943 CD2 HIS A 62 0.680 20.738 4.241 1.00 34.14 C ATOM 944 CE1 HIS A 62 -0.171 22.522 5.148 1.00 10.50 C ATOM 945 NE2 HIS A 62 0.539 22.095 4.097 1.00 72.23 N ATOM 0 H HIS A 62 0.190 16.820 7.138 1.00 13.25 H new ATOM 0 HA HIS A 62 1.837 19.192 6.881 1.00 70.15 H new ATOM 0 HB2 HIS A 62 0.049 18.276 5.261 1.00 21.44 H new ATOM 0 HB3 HIS A 62 -1.129 18.931 6.381 1.00 21.44 H new ATOM 0 HD2 HIS A 62 1.202 20.071 3.571 1.00 34.14 H new ATOM 0 HE1 HIS A 62 -0.444 23.553 5.318 1.00 10.50 H new ATOM 0 HE2 HIS A 62 0.905 22.668 3.336 1.00 72.23 H new ATOM 953 N GLN A 63 -0.646 18.940 9.044 1.00 52.02 N ATOM 954 CA GLN A 63 -1.215 19.429 10.294 1.00 60.35 C ATOM 955 C GLN A 63 -2.400 18.550 10.661 1.00 63.10 C ATOM 956 O GLN A 63 -2.329 17.732 11.576 1.00 73.45 O ATOM 957 CB GLN A 63 -1.667 20.891 10.174 1.00 71.03 C ATOM 958 CG GLN A 63 -2.115 21.499 11.493 1.00 24.03 C ATOM 959 CD GLN A 63 -2.566 22.936 11.346 1.00 10.52 C ATOM 960 OE1 GLN A 63 -1.766 23.865 11.453 1.00 22.21 O ATOM 961 NE2 GLN A 63 -3.851 23.128 11.111 1.00 43.15 N ATOM 0 H GLN A 63 -1.109 18.105 8.684 1.00 52.02 H new ATOM 0 HA GLN A 63 -0.451 19.386 11.070 1.00 60.35 H new ATOM 0 HB2 GLN A 63 -0.847 21.484 9.770 1.00 71.03 H new ATOM 0 HB3 GLN A 63 -2.487 20.952 9.458 1.00 71.03 H new ATOM 0 HG2 GLN A 63 -2.932 20.906 11.904 1.00 24.03 H new ATOM 0 HG3 GLN A 63 -1.294 21.451 12.209 1.00 24.03 H new ATOM 0 HE21 GLN A 63 -4.480 22.329 11.030 1.00 43.15 H new ATOM 0 HE22 GLN A 63 -4.215 24.076 11.011 1.00 43.15 H new ATOM 970 N ASP A 64 -3.476 18.704 9.910 1.00 1.23 N ATOM 971 CA ASP A 64 -4.663 17.883 10.090 1.00 74.40 C ATOM 972 C ASP A 64 -4.713 16.804 9.020 1.00 25.24 C ATOM 973 O ASP A 64 -5.452 15.829 9.135 1.00 72.31 O ATOM 974 CB ASP A 64 -5.924 18.745 10.013 1.00 1.12 C ATOM 975 CG ASP A 64 -5.936 19.852 11.046 1.00 73.31 C ATOM 976 OD1 ASP A 64 -5.400 20.942 10.760 1.00 22.53 O ATOM 977 OD2 ASP A 64 -6.477 19.637 12.152 1.00 71.23 O ATOM 0 H ASP A 64 -3.553 19.395 9.164 1.00 1.23 H new ATOM 0 HA ASP A 64 -4.617 17.414 11.073 1.00 74.40 H new ATOM 0 HB2 ASP A 64 -6.001 19.181 9.017 1.00 1.12 H new ATOM 0 HB3 ASP A 64 -6.801 18.113 10.153 1.00 1.12 H new ATOM 982 N ASP A 65 -3.905 16.985 7.984 1.00 42.54 N ATOM 983 CA ASP A 65 -3.874 16.061 6.859 1.00 73.22 C ATOM 984 C ASP A 65 -2.562 15.281 6.859 1.00 53.33 C ATOM 985 O ASP A 65 -1.529 15.794 7.301 1.00 71.44 O ATOM 986 CB ASP A 65 -4.038 16.839 5.551 1.00 10.41 C ATOM 987 CG ASP A 65 -4.293 15.947 4.352 1.00 51.42 C ATOM 988 OD1 ASP A 65 -4.687 14.779 4.543 1.00 42.52 O ATOM 989 OD2 ASP A 65 -4.124 16.427 3.211 1.00 51.22 O ATOM 0 H ASP A 65 -3.258 17.769 7.900 1.00 42.54 H new ATOM 0 HA ASP A 65 -4.696 15.351 6.951 1.00 73.22 H new ATOM 0 HB2 ASP A 65 -4.865 17.541 5.655 1.00 10.41 H new ATOM 0 HB3 ASP A 65 -3.139 17.429 5.372 1.00 10.41 H new ATOM 994 N LEU A 66 -2.604 14.053 6.357 1.00 73.22 N ATOM 995 CA LEU A 66 -1.451 13.159 6.384 1.00 10.25 C ATOM 996 C LEU A 66 -0.979 12.862 4.968 1.00 21.21 C ATOM 997 O LEU A 66 -1.776 12.503 4.098 1.00 22.21 O ATOM 998 CB LEU A 66 -1.804 11.854 7.105 1.00 54.45 C ATOM 999 CG LEU A 66 -2.223 12.009 8.569 1.00 1.24 C ATOM 1000 CD1 LEU A 66 -2.655 10.670 9.142 1.00 22.25 C ATOM 1001 CD2 LEU A 66 -1.082 12.590 9.391 1.00 22.03 C ATOM 0 H LEU A 66 -3.433 13.649 5.922 1.00 73.22 H new ATOM 0 HA LEU A 66 -0.645 13.652 6.927 1.00 10.25 H new ATOM 0 HB2 LEU A 66 -2.613 11.366 6.562 1.00 54.45 H new ATOM 0 HB3 LEU A 66 -0.942 11.188 7.059 1.00 54.45 H new ATOM 0 HG LEU A 66 -3.068 12.696 8.614 1.00 1.24 H new ATOM 0 HD11 LEU A 66 -2.950 10.798 10.184 1.00 22.25 H new ATOM 0 HD12 LEU A 66 -3.500 10.285 8.571 1.00 22.25 H new ATOM 0 HD13 LEU A 66 -1.826 9.965 9.084 1.00 22.25 H new ATOM 0 HD21 LEU A 66 -1.397 12.693 10.429 1.00 22.03 H new ATOM 0 HD22 LEU A 66 -0.220 11.925 9.338 1.00 22.03 H new ATOM 0 HD23 LEU A 66 -0.810 13.569 8.995 1.00 22.03 H new ATOM 1013 N TRP A 67 0.318 13.002 4.738 1.00 12.01 N ATOM 1014 CA TRP A 67 0.874 12.863 3.401 1.00 64.02 C ATOM 1015 C TRP A 67 2.029 11.868 3.396 1.00 51.43 C ATOM 1016 O TRP A 67 3.030 12.071 4.078 1.00 64.13 O ATOM 1017 CB TRP A 67 1.381 14.218 2.889 1.00 24.43 C ATOM 1018 CG TRP A 67 0.337 15.293 2.828 1.00 21.41 C ATOM 1019 CD1 TRP A 67 -0.278 15.899 3.886 1.00 3.41 C ATOM 1020 CD2 TRP A 67 -0.194 15.912 1.648 1.00 13.12 C ATOM 1021 NE1 TRP A 67 -1.158 16.848 3.439 1.00 31.34 N ATOM 1022 CE2 TRP A 67 -1.129 16.875 2.072 1.00 43.25 C ATOM 1023 CE3 TRP A 67 0.025 15.746 0.276 1.00 63.21 C ATOM 1024 CZ2 TRP A 67 -1.841 17.666 1.178 1.00 15.43 C ATOM 1025 CZ3 TRP A 67 -0.688 16.531 -0.608 1.00 12.21 C ATOM 1026 CH2 TRP A 67 -1.609 17.482 -0.156 1.00 41.01 C ATOM 0 H TRP A 67 1.006 13.212 5.461 1.00 12.01 H new ATOM 0 HA TRP A 67 0.082 12.497 2.748 1.00 64.02 H new ATOM 0 HB2 TRP A 67 2.193 14.554 3.534 1.00 24.43 H new ATOM 0 HB3 TRP A 67 1.801 14.081 1.893 1.00 24.43 H new ATOM 0 HD1 TRP A 67 -0.097 15.664 4.924 1.00 3.41 H new ATOM 0 HE1 TRP A 67 -1.741 17.440 4.031 1.00 31.34 H new ATOM 0 HE3 TRP A 67 0.737 15.019 -0.084 1.00 63.21 H new ATOM 0 HZ2 TRP A 67 -2.553 18.400 1.525 1.00 15.43 H new ATOM 0 HZ3 TRP A 67 -0.532 16.408 -1.670 1.00 12.21 H new ATOM 0 HH2 TRP A 67 -2.147 18.082 -0.875 1.00 41.01 H new ATOM 1037 N VAL A 68 1.890 10.794 2.634 1.00 22.13 N ATOM 1038 CA VAL A 68 2.987 9.846 2.466 1.00 32.23 C ATOM 1039 C VAL A 68 4.056 10.452 1.553 1.00 25.33 C ATOM 1040 O VAL A 68 3.729 11.116 0.566 1.00 14.22 O ATOM 1041 CB VAL A 68 2.493 8.494 1.894 1.00 62.44 C ATOM 1042 CG1 VAL A 68 1.873 8.669 0.517 1.00 2.53 C ATOM 1043 CG2 VAL A 68 3.624 7.475 1.852 1.00 41.50 C ATOM 0 H VAL A 68 1.038 10.556 2.126 1.00 22.13 H new ATOM 0 HA VAL A 68 3.417 9.647 3.448 1.00 32.23 H new ATOM 0 HB VAL A 68 1.719 8.116 2.562 1.00 62.44 H new ATOM 0 HG11 VAL A 68 1.537 7.702 0.144 1.00 2.53 H new ATOM 0 HG12 VAL A 68 1.023 9.348 0.584 1.00 2.53 H new ATOM 0 HG13 VAL A 68 2.615 9.083 -0.166 1.00 2.53 H new ATOM 0 HG21 VAL A 68 3.251 6.534 1.447 1.00 41.50 H new ATOM 0 HG22 VAL A 68 4.428 7.850 1.219 1.00 41.50 H new ATOM 0 HG23 VAL A 68 4.003 7.310 2.861 1.00 41.50 H new ATOM 1053 N ALA A 69 5.321 10.260 1.904 1.00 21.10 N ATOM 1054 CA ALA A 69 6.420 10.826 1.134 1.00 35.01 C ATOM 1055 C ALA A 69 7.196 9.737 0.402 1.00 73.13 C ATOM 1056 O ALA A 69 7.903 8.943 1.020 1.00 73.42 O ATOM 1057 CB ALA A 69 7.347 11.625 2.041 1.00 12.23 C ATOM 0 H ALA A 69 5.611 9.717 2.717 1.00 21.10 H new ATOM 0 HA ALA A 69 5.998 11.498 0.386 1.00 35.01 H new ATOM 0 HB1 ALA A 69 8.163 12.042 1.451 1.00 12.23 H new ATOM 0 HB2 ALA A 69 6.788 12.435 2.510 1.00 12.23 H new ATOM 0 HB3 ALA A 69 7.754 10.971 2.812 1.00 12.23 H new ATOM 1063 N SER A 70 7.060 9.710 -0.916 1.00 61.34 N ATOM 1064 CA SER A 70 7.718 8.705 -1.738 1.00 12.02 C ATOM 1065 C SER A 70 9.226 8.967 -1.835 1.00 11.51 C ATOM 1066 O SER A 70 9.677 10.105 -1.701 1.00 20.44 O ATOM 1067 CB SER A 70 7.083 8.691 -3.127 1.00 25.40 C ATOM 1068 OG SER A 70 5.690 8.456 -3.039 1.00 43.04 O ATOM 0 H SER A 70 6.496 10.378 -1.442 1.00 61.34 H new ATOM 0 HA SER A 70 7.586 7.729 -1.271 1.00 12.02 H new ATOM 0 HB2 SER A 70 7.265 9.643 -3.625 1.00 25.40 H new ATOM 0 HB3 SER A 70 7.549 7.918 -3.737 1.00 25.40 H new ATOM 0 HG SER A 70 5.211 9.126 -3.570 1.00 43.04 H new ATOM 1074 N PRO A 71 10.026 7.911 -2.074 1.00 20.13 N ATOM 1075 CA PRO A 71 11.493 8.008 -2.109 1.00 11.32 C ATOM 1076 C PRO A 71 12.032 8.677 -3.371 1.00 53.12 C ATOM 1077 O PRO A 71 13.231 8.930 -3.477 1.00 54.21 O ATOM 1078 CB PRO A 71 11.944 6.550 -2.053 1.00 1.24 C ATOM 1079 CG PRO A 71 10.827 5.789 -2.675 1.00 22.00 C ATOM 1080 CD PRO A 71 9.567 6.528 -2.310 1.00 1.45 C ATOM 0 HA PRO A 71 11.865 8.628 -1.293 1.00 11.32 H new ATOM 0 HB2 PRO A 71 12.876 6.402 -2.598 1.00 1.24 H new ATOM 0 HB3 PRO A 71 12.120 6.228 -1.027 1.00 1.24 H new ATOM 0 HG2 PRO A 71 10.947 5.734 -3.757 1.00 22.00 H new ATOM 0 HG3 PRO A 71 10.799 4.764 -2.305 1.00 22.00 H new ATOM 0 HD2 PRO A 71 8.830 6.482 -3.112 1.00 1.45 H new ATOM 0 HD3 PRO A 71 9.098 6.105 -1.422 1.00 1.45 H new ATOM 1088 N LEU A 72 11.148 8.969 -4.315 1.00 52.21 N ATOM 1089 CA LEU A 72 11.555 9.581 -5.578 1.00 21.44 C ATOM 1090 C LEU A 72 12.071 11.003 -5.361 1.00 45.21 C ATOM 1091 O LEU A 72 13.276 11.247 -5.390 1.00 64.11 O ATOM 1092 CB LEU A 72 10.395 9.585 -6.587 1.00 72.11 C ATOM 1093 CG LEU A 72 10.079 8.237 -7.250 1.00 23.33 C ATOM 1094 CD1 LEU A 72 9.536 7.236 -6.240 1.00 71.14 C ATOM 1095 CD2 LEU A 72 9.095 8.432 -8.393 1.00 5.15 C ATOM 0 H LEU A 72 10.147 8.794 -4.233 1.00 52.21 H new ATOM 0 HA LEU A 72 12.367 8.980 -5.987 1.00 21.44 H new ATOM 0 HB2 LEU A 72 9.498 9.937 -6.078 1.00 72.11 H new ATOM 0 HB3 LEU A 72 10.622 10.309 -7.370 1.00 72.11 H new ATOM 0 HG LEU A 72 11.008 7.831 -7.650 1.00 23.33 H new ATOM 0 HD11 LEU A 72 9.322 6.292 -6.742 1.00 71.14 H new ATOM 0 HD12 LEU A 72 10.276 7.071 -5.457 1.00 71.14 H new ATOM 0 HD13 LEU A 72 8.620 7.627 -5.797 1.00 71.14 H new ATOM 0 HD21 LEU A 72 8.879 7.469 -8.855 1.00 5.15 H new ATOM 0 HD22 LEU A 72 8.172 8.865 -8.008 1.00 5.15 H new ATOM 0 HD23 LEU A 72 9.528 9.102 -9.136 1.00 5.15 H new ATOM 1107 N LYS A 73 11.156 11.935 -5.133 1.00 22.41 N ATOM 1108 CA LYS A 73 11.522 13.334 -4.924 1.00 75.30 C ATOM 1109 C LYS A 73 11.001 13.820 -3.577 1.00 23.13 C ATOM 1110 O LYS A 73 10.796 15.017 -3.375 1.00 71.52 O ATOM 1111 CB LYS A 73 10.947 14.202 -6.051 1.00 44.51 C ATOM 1112 CG LYS A 73 11.446 13.817 -7.437 1.00 71.24 C ATOM 1113 CD LYS A 73 10.799 14.663 -8.522 1.00 71.42 C ATOM 1114 CE LYS A 73 11.269 14.245 -9.907 1.00 55.44 C ATOM 1115 NZ LYS A 73 10.570 14.989 -10.989 1.00 71.11 N ATOM 0 H LYS A 73 10.154 11.750 -5.088 1.00 22.41 H new ATOM 0 HA LYS A 73 12.609 13.416 -4.931 1.00 75.30 H new ATOM 0 HB2 LYS A 73 9.859 14.131 -6.034 1.00 44.51 H new ATOM 0 HB3 LYS A 73 11.201 15.245 -5.860 1.00 44.51 H new ATOM 0 HG2 LYS A 73 12.529 13.936 -7.480 1.00 71.24 H new ATOM 0 HG3 LYS A 73 11.233 12.764 -7.621 1.00 71.24 H new ATOM 0 HD2 LYS A 73 9.715 14.569 -8.460 1.00 71.42 H new ATOM 0 HD3 LYS A 73 11.038 15.714 -8.357 1.00 71.42 H new ATOM 0 HE2 LYS A 73 12.343 14.412 -9.990 1.00 55.44 H new ATOM 0 HE3 LYS A 73 11.102 13.176 -10.038 1.00 55.44 H new ATOM 0 HZ1 LYS A 73 10.923 14.670 -11.914 1.00 71.11 H new ATOM 0 HZ2 LYS A 73 9.547 14.810 -10.929 1.00 71.11 H new ATOM 0 HZ3 LYS A 73 10.750 16.008 -10.882 1.00 71.11 H new ATOM 1129 N LYS A 74 10.800 12.873 -2.656 1.00 22.33 N ATOM 1130 CA LYS A 74 10.228 13.159 -1.338 1.00 73.34 C ATOM 1131 C LYS A 74 8.882 13.866 -1.497 1.00 0.11 C ATOM 1132 O LYS A 74 8.488 14.713 -0.690 1.00 54.52 O ATOM 1133 CB LYS A 74 11.207 13.989 -0.493 1.00 60.52 C ATOM 1134 CG LYS A 74 10.875 13.999 0.991 1.00 11.04 C ATOM 1135 CD LYS A 74 12.057 14.464 1.826 1.00 41.12 C ATOM 1136 CE LYS A 74 11.741 14.419 3.313 1.00 75.23 C ATOM 1137 NZ LYS A 74 12.969 14.517 4.144 1.00 53.11 N ATOM 0 H LYS A 74 11.028 11.890 -2.803 1.00 22.33 H new ATOM 0 HA LYS A 74 10.057 12.221 -0.811 1.00 73.34 H new ATOM 0 HB2 LYS A 74 12.214 13.596 -0.629 1.00 60.52 H new ATOM 0 HB3 LYS A 74 11.213 15.015 -0.862 1.00 60.52 H new ATOM 0 HG2 LYS A 74 10.023 14.655 1.169 1.00 11.04 H new ATOM 0 HG3 LYS A 74 10.578 12.998 1.305 1.00 11.04 H new ATOM 0 HD2 LYS A 74 12.922 13.834 1.617 1.00 41.12 H new ATOM 0 HD3 LYS A 74 12.328 15.481 1.541 1.00 41.12 H new ATOM 0 HE2 LYS A 74 11.066 15.237 3.565 1.00 75.23 H new ATOM 0 HE3 LYS A 74 11.219 13.491 3.545 1.00 75.23 H new ATOM 0 HZ1 LYS A 74 12.711 14.483 5.151 1.00 53.11 H new ATOM 0 HZ2 LYS A 74 13.603 13.723 3.922 1.00 53.11 H new ATOM 0 HZ3 LYS A 74 13.454 15.414 3.942 1.00 53.11 H new ATOM 1151 N GLN A 75 8.175 13.475 -2.545 1.00 5.22 N ATOM 1152 CA GLN A 75 6.893 14.066 -2.884 1.00 74.24 C ATOM 1153 C GLN A 75 5.779 13.457 -2.040 1.00 12.01 C ATOM 1154 O GLN A 75 5.777 12.257 -1.759 1.00 4.22 O ATOM 1155 CB GLN A 75 6.619 13.884 -4.380 1.00 52.20 C ATOM 1156 CG GLN A 75 6.846 12.464 -4.870 1.00 10.12 C ATOM 1157 CD GLN A 75 6.814 12.345 -6.384 1.00 60.34 C ATOM 1158 OE1 GLN A 75 7.485 11.489 -6.960 1.00 42.25 O ATOM 1159 NE2 GLN A 75 6.039 13.199 -7.036 1.00 22.11 N ATOM 0 H GLN A 75 8.475 12.739 -3.184 1.00 5.22 H new ATOM 0 HA GLN A 75 6.924 15.133 -2.665 1.00 74.24 H new ATOM 0 HB2 GLN A 75 5.589 14.172 -4.590 1.00 52.20 H new ATOM 0 HB3 GLN A 75 7.261 14.561 -4.944 1.00 52.20 H new ATOM 0 HG2 GLN A 75 7.809 12.109 -4.504 1.00 10.12 H new ATOM 0 HG3 GLN A 75 6.083 11.812 -4.444 1.00 10.12 H new ATOM 0 HE21 GLN A 75 5.499 13.894 -6.520 1.00 22.11 H new ATOM 0 HE22 GLN A 75 5.983 13.162 -8.054 1.00 22.11 H new ATOM 1168 N HIS A 76 4.849 14.302 -1.631 1.00 54.51 N ATOM 1169 CA HIS A 76 3.760 13.906 -0.753 1.00 51.13 C ATOM 1170 C HIS A 76 2.538 13.507 -1.569 1.00 53.54 C ATOM 1171 O HIS A 76 2.019 14.307 -2.349 1.00 21.51 O ATOM 1172 CB HIS A 76 3.397 15.066 0.176 1.00 71.50 C ATOM 1173 CG HIS A 76 4.547 15.585 0.984 1.00 52.11 C ATOM 1174 ND1 HIS A 76 5.319 16.658 0.595 1.00 4.44 N ATOM 1175 CD2 HIS A 76 5.042 15.184 2.178 1.00 2.44 C ATOM 1176 CE1 HIS A 76 6.236 16.893 1.513 1.00 43.20 C ATOM 1177 NE2 HIS A 76 6.091 16.013 2.486 1.00 45.51 N ATOM 0 H HIS A 76 4.827 15.286 -1.899 1.00 54.51 H new ATOM 0 HA HIS A 76 4.084 13.050 -0.160 1.00 51.13 H new ATOM 0 HB2 HIS A 76 2.989 15.882 -0.421 1.00 71.50 H new ATOM 0 HB3 HIS A 76 2.608 14.741 0.854 1.00 71.50 H new ATOM 0 HD1 HIS A 76 5.200 17.188 -0.268 1.00 4.44 H new ATOM 0 HD2 HIS A 76 4.678 14.363 2.778 1.00 2.44 H new ATOM 0 HE1 HIS A 76 6.981 17.674 1.475 1.00 43.20 H new ATOM 1186 N PHE A 77 2.079 12.275 -1.387 1.00 33.11 N ATOM 1187 CA PHE A 77 0.946 11.758 -2.152 1.00 1.14 C ATOM 1188 C PHE A 77 -0.376 11.894 -1.401 1.00 14.43 C ATOM 1189 O PHE A 77 -1.441 11.801 -2.013 1.00 42.40 O ATOM 1190 CB PHE A 77 1.175 10.292 -2.531 1.00 50.42 C ATOM 1191 CG PHE A 77 2.052 10.100 -3.738 1.00 72.04 C ATOM 1192 CD1 PHE A 77 3.332 10.629 -3.780 1.00 62.43 C ATOM 1193 CD2 PHE A 77 1.593 9.384 -4.833 1.00 51.02 C ATOM 1194 CE1 PHE A 77 4.133 10.449 -4.890 1.00 64.21 C ATOM 1195 CE2 PHE A 77 2.393 9.201 -5.945 1.00 11.11 C ATOM 1196 CZ PHE A 77 3.664 9.735 -5.971 1.00 24.25 C ATOM 0 H PHE A 77 2.472 11.614 -0.717 1.00 33.11 H new ATOM 0 HA PHE A 77 0.877 12.363 -3.056 1.00 1.14 H new ATOM 0 HB2 PHE A 77 1.624 9.774 -1.683 1.00 50.42 H new ATOM 0 HB3 PHE A 77 0.210 9.821 -2.718 1.00 50.42 H new ATOM 0 HD1 PHE A 77 3.707 11.188 -2.935 1.00 62.43 H new ATOM 0 HD2 PHE A 77 0.598 8.964 -4.817 1.00 51.02 H new ATOM 0 HE1 PHE A 77 5.128 10.868 -4.911 1.00 64.21 H new ATOM 0 HE2 PHE A 77 2.024 8.641 -6.791 1.00 11.11 H new ATOM 0 HZ PHE A 77 4.292 9.594 -6.838 1.00 24.25 H new ATOM 1206 N ARG A 78 -0.296 12.115 -0.084 1.00 53.22 N ATOM 1207 CA ARG A 78 -1.486 12.255 0.768 1.00 15.41 C ATOM 1208 C ARG A 78 -2.187 10.904 0.968 1.00 34.51 C ATOM 1209 O ARG A 78 -2.461 10.176 0.018 1.00 53.40 O ATOM 1210 CB ARG A 78 -2.437 13.313 0.185 1.00 3.03 C ATOM 1211 CG ARG A 78 -3.798 13.396 0.850 1.00 42.43 C ATOM 1212 CD ARG A 78 -4.505 14.681 0.457 1.00 52.33 C ATOM 1213 NE ARG A 78 -5.955 14.519 0.359 1.00 41.00 N ATOM 1214 CZ ARG A 78 -6.839 15.299 0.986 1.00 52.55 C ATOM 1215 NH1 ARG A 78 -6.432 16.200 1.867 1.00 62.13 N ATOM 1216 NH2 ARG A 78 -8.135 15.155 0.748 1.00 70.33 N ATOM 0 H ARG A 78 0.587 12.202 0.419 1.00 53.22 H new ATOM 0 HA ARG A 78 -1.170 12.597 1.754 1.00 15.41 H new ATOM 0 HB2 ARG A 78 -1.956 14.289 0.255 1.00 3.03 H new ATOM 0 HB3 ARG A 78 -2.581 13.104 -0.875 1.00 3.03 H new ATOM 0 HG2 ARG A 78 -4.404 12.537 0.560 1.00 42.43 H new ATOM 0 HG3 ARG A 78 -3.683 13.354 1.933 1.00 42.43 H new ATOM 0 HD2 ARG A 78 -4.279 15.455 1.191 1.00 52.33 H new ATOM 0 HD3 ARG A 78 -4.116 15.027 -0.501 1.00 52.33 H new ATOM 0 HE ARG A 78 -6.313 13.763 -0.225 1.00 41.00 H new ATOM 0 HH11 ARG A 78 -5.438 16.302 2.070 1.00 62.13 H new ATOM 0 HH12 ARG A 78 -7.113 16.792 2.342 1.00 62.13 H new ATOM 0 HH21 ARG A 78 -8.457 14.449 0.086 1.00 70.33 H new ATOM 0 HH22 ARG A 78 -8.811 15.751 1.227 1.00 70.33 H new ATOM 1230 N LEU A 79 -2.469 10.576 2.223 1.00 12.41 N ATOM 1231 CA LEU A 79 -3.003 9.261 2.577 1.00 22.14 C ATOM 1232 C LEU A 79 -4.522 9.272 2.703 1.00 53.04 C ATOM 1233 O LEU A 79 -5.121 8.275 3.098 1.00 1.50 O ATOM 1234 CB LEU A 79 -2.392 8.784 3.897 1.00 73.13 C ATOM 1235 CG LEU A 79 -0.891 8.504 3.860 1.00 60.21 C ATOM 1236 CD1 LEU A 79 -0.371 8.222 5.259 1.00 33.31 C ATOM 1237 CD2 LEU A 79 -0.595 7.329 2.940 1.00 3.02 C ATOM 0 H LEU A 79 -2.337 11.203 3.017 1.00 12.41 H new ATOM 0 HA LEU A 79 -2.736 8.578 1.770 1.00 22.14 H new ATOM 0 HB2 LEU A 79 -2.585 9.537 4.661 1.00 73.13 H new ATOM 0 HB3 LEU A 79 -2.907 7.875 4.209 1.00 73.13 H new ATOM 0 HG LEU A 79 -0.383 9.387 3.472 1.00 60.21 H new ATOM 0 HD11 LEU A 79 0.700 8.024 5.216 1.00 33.31 H new ATOM 0 HD12 LEU A 79 -0.555 9.087 5.897 1.00 33.31 H new ATOM 0 HD13 LEU A 79 -0.884 7.352 5.670 1.00 33.31 H new ATOM 0 HD21 LEU A 79 0.479 7.141 2.924 1.00 3.02 H new ATOM 0 HD22 LEU A 79 -1.113 6.442 3.305 1.00 3.02 H new ATOM 0 HD23 LEU A 79 -0.938 7.561 1.932 1.00 3.02 H new ATOM 1249 N TYR A 80 -5.145 10.391 2.370 1.00 32.13 N ATOM 1250 CA TYR A 80 -6.583 10.520 2.548 1.00 14.53 C ATOM 1251 C TYR A 80 -7.335 10.082 1.292 1.00 63.33 C ATOM 1252 O TYR A 80 -8.484 9.645 1.367 1.00 24.14 O ATOM 1253 CB TYR A 80 -6.951 11.960 2.917 1.00 12.14 C ATOM 1254 CG TYR A 80 -8.354 12.099 3.459 1.00 61.02 C ATOM 1255 CD1 TYR A 80 -8.659 11.689 4.750 1.00 4.35 C ATOM 1256 CD2 TYR A 80 -9.374 12.630 2.683 1.00 4.03 C ATOM 1257 CE1 TYR A 80 -9.938 11.805 5.252 1.00 41.13 C ATOM 1258 CE2 TYR A 80 -10.658 12.748 3.178 1.00 53.53 C ATOM 1259 CZ TYR A 80 -10.933 12.335 4.463 1.00 30.34 C ATOM 1260 OH TYR A 80 -12.212 12.445 4.959 1.00 4.42 O ATOM 0 H TYR A 80 -4.685 11.214 1.980 1.00 32.13 H new ATOM 0 HA TYR A 80 -6.881 9.863 3.366 1.00 14.53 H new ATOM 0 HB2 TYR A 80 -6.244 12.329 3.660 1.00 12.14 H new ATOM 0 HB3 TYR A 80 -6.846 12.592 2.035 1.00 12.14 H new ATOM 0 HD1 TYR A 80 -7.881 11.272 5.372 1.00 4.35 H new ATOM 0 HD2 TYR A 80 -9.161 12.956 1.676 1.00 4.03 H new ATOM 0 HE1 TYR A 80 -10.158 11.482 6.259 1.00 41.13 H new ATOM 0 HE2 TYR A 80 -11.442 13.162 2.561 1.00 53.53 H new ATOM 0 HH TYR A 80 -12.795 12.840 4.277 1.00 4.42 H new ATOM 1270 N ASP A 81 -6.682 10.191 0.142 1.00 20.14 N ATOM 1271 CA ASP A 81 -7.303 9.835 -1.130 1.00 63.32 C ATOM 1272 C ASP A 81 -6.257 9.583 -2.207 1.00 20.22 C ATOM 1273 O ASP A 81 -6.067 8.451 -2.643 1.00 22.03 O ATOM 1274 CB ASP A 81 -8.292 10.921 -1.595 1.00 31.04 C ATOM 1275 CG ASP A 81 -7.852 12.343 -1.275 1.00 3.14 C ATOM 1276 OD1 ASP A 81 -6.682 12.704 -1.540 1.00 14.35 O ATOM 1277 OD2 ASP A 81 -8.685 13.113 -0.758 1.00 25.23 O ATOM 0 H ASP A 81 -5.721 10.523 0.063 1.00 20.14 H new ATOM 0 HA ASP A 81 -7.858 8.911 -0.967 1.00 63.32 H new ATOM 0 HB2 ASP A 81 -8.434 10.830 -2.672 1.00 31.04 H new ATOM 0 HB3 ASP A 81 -9.260 10.739 -1.129 1.00 31.04 H new ATOM 1282 N GLY A 82 -5.587 10.637 -2.628 1.00 51.40 N ATOM 1283 CA GLY A 82 -4.584 10.515 -3.659 1.00 34.01 C ATOM 1284 C GLY A 82 -4.293 11.833 -4.348 1.00 31.23 C ATOM 1285 O GLY A 82 -3.655 11.861 -5.403 1.00 24.54 O ATOM 0 H GLY A 82 -5.720 11.583 -2.272 1.00 51.40 H new ATOM 0 HA2 GLY A 82 -3.664 10.127 -3.222 1.00 34.01 H new ATOM 0 HA3 GLY A 82 -4.916 9.788 -4.400 1.00 34.01 H new ATOM 1289 N PHE A 83 -4.777 12.929 -3.773 1.00 41.10 N ATOM 1290 CA PHE A 83 -4.448 14.250 -4.282 1.00 71.11 C ATOM 1291 C PHE A 83 -3.091 14.680 -3.743 1.00 10.34 C ATOM 1292 O PHE A 83 -2.980 15.180 -2.621 1.00 24.31 O ATOM 1293 CB PHE A 83 -5.530 15.268 -3.915 1.00 42.13 C ATOM 1294 CG PHE A 83 -6.824 15.056 -4.650 1.00 71.11 C ATOM 1295 CD1 PHE A 83 -6.952 15.448 -5.972 1.00 24.02 C ATOM 1296 CD2 PHE A 83 -7.909 14.465 -4.024 1.00 12.13 C ATOM 1297 CE1 PHE A 83 -8.138 15.255 -6.656 1.00 73.50 C ATOM 1298 CE2 PHE A 83 -9.098 14.269 -4.702 1.00 43.01 C ATOM 1299 CZ PHE A 83 -9.213 14.665 -6.020 1.00 25.31 C ATOM 0 H PHE A 83 -5.394 12.927 -2.960 1.00 41.10 H new ATOM 0 HA PHE A 83 -4.400 14.205 -5.370 1.00 71.11 H new ATOM 0 HB2 PHE A 83 -5.718 15.217 -2.842 1.00 42.13 H new ATOM 0 HB3 PHE A 83 -5.161 16.272 -4.127 1.00 42.13 H new ATOM 0 HD1 PHE A 83 -6.115 15.910 -6.475 1.00 24.02 H new ATOM 0 HD2 PHE A 83 -7.825 14.153 -2.993 1.00 12.13 H new ATOM 0 HE1 PHE A 83 -8.224 15.565 -7.687 1.00 73.50 H new ATOM 0 HE2 PHE A 83 -9.936 13.807 -4.201 1.00 43.01 H new ATOM 0 HZ PHE A 83 -10.141 14.514 -6.552 1.00 25.31 H new ATOM 1309 N CYS A 84 -2.066 14.457 -4.550 1.00 53.11 N ATOM 1310 CA CYS A 84 -0.690 14.663 -4.134 1.00 12.51 C ATOM 1311 C CYS A 84 -0.302 16.136 -4.196 1.00 11.05 C ATOM 1312 O CYS A 84 -0.949 16.934 -4.877 1.00 30.15 O ATOM 1313 CB CYS A 84 0.237 13.854 -5.032 1.00 53.14 C ATOM 1314 SG CYS A 84 -0.340 12.180 -5.381 1.00 70.43 S ATOM 0 H CYS A 84 -2.165 14.128 -5.511 1.00 53.11 H new ATOM 0 HA CYS A 84 -0.595 14.332 -3.100 1.00 12.51 H new ATOM 0 HB2 CYS A 84 0.365 14.385 -5.975 1.00 53.14 H new ATOM 0 HB3 CYS A 84 1.219 13.797 -4.563 1.00 53.14 H new ATOM 0 HG CYS A 84 0.024 11.837 -6.581 1.00 70.43 H new ATOM 1320 N LEU A 85 0.766 16.485 -3.495 1.00 61.33 N ATOM 1321 CA LEU A 85 1.240 17.858 -3.460 1.00 61.13 C ATOM 1322 C LEU A 85 2.247 18.103 -4.582 1.00 63.02 C ATOM 1323 O LEU A 85 1.975 18.855 -5.518 1.00 10.34 O ATOM 1324 CB LEU A 85 1.866 18.171 -2.095 1.00 11.24 C ATOM 1325 CG LEU A 85 2.233 19.637 -1.861 1.00 34.41 C ATOM 1326 CD1 LEU A 85 1.002 20.522 -1.996 1.00 74.11 C ATOM 1327 CD2 LEU A 85 2.863 19.809 -0.488 1.00 73.21 C ATOM 0 H LEU A 85 1.322 15.833 -2.941 1.00 61.33 H new ATOM 0 HA LEU A 85 0.390 18.524 -3.610 1.00 61.13 H new ATOM 0 HB2 LEU A 85 1.171 17.860 -1.316 1.00 11.24 H new ATOM 0 HB3 LEU A 85 2.766 17.566 -1.980 1.00 11.24 H new ATOM 0 HG LEU A 85 2.958 19.939 -2.617 1.00 34.41 H new ATOM 0 HD11 LEU A 85 1.281 21.562 -1.826 1.00 74.11 H new ATOM 0 HD12 LEU A 85 0.586 20.417 -2.998 1.00 74.11 H new ATOM 0 HD13 LEU A 85 0.256 20.222 -1.260 1.00 74.11 H new ATOM 0 HD21 LEU A 85 3.120 20.857 -0.334 1.00 73.21 H new ATOM 0 HD22 LEU A 85 2.156 19.492 0.279 1.00 73.21 H new ATOM 0 HD23 LEU A 85 3.766 19.201 -0.423 1.00 73.21 H new ATOM 1339 N GLU A 86 3.399 17.450 -4.494 1.00 33.45 N ATOM 1340 CA GLU A 86 4.448 17.607 -5.496 1.00 32.22 C ATOM 1341 C GLU A 86 4.241 16.650 -6.667 1.00 53.50 C ATOM 1342 O GLU A 86 5.029 16.638 -7.613 1.00 33.15 O ATOM 1343 CB GLU A 86 5.836 17.367 -4.888 1.00 30.43 C ATOM 1344 CG GLU A 86 6.188 18.282 -3.723 1.00 25.30 C ATOM 1345 CD GLU A 86 5.576 17.843 -2.406 1.00 52.31 C ATOM 1346 OE1 GLU A 86 4.913 16.787 -2.367 1.00 11.10 O ATOM 1347 OE2 GLU A 86 5.765 18.547 -1.395 1.00 62.21 O ATOM 0 H GLU A 86 3.632 16.806 -3.738 1.00 33.45 H new ATOM 0 HA GLU A 86 4.390 18.633 -5.860 1.00 32.22 H new ATOM 0 HB2 GLU A 86 5.896 16.332 -4.550 1.00 30.43 H new ATOM 0 HB3 GLU A 86 6.586 17.491 -5.669 1.00 30.43 H new ATOM 0 HG2 GLU A 86 7.272 18.321 -3.616 1.00 25.30 H new ATOM 0 HG3 GLU A 86 5.853 19.294 -3.951 1.00 25.30 H new ATOM 1354 N ASP A 87 3.198 15.837 -6.595 1.00 1.31 N ATOM 1355 CA ASP A 87 2.901 14.887 -7.662 1.00 34.12 C ATOM 1356 C ASP A 87 1.596 15.227 -8.359 1.00 11.44 C ATOM 1357 O ASP A 87 0.584 15.504 -7.713 1.00 15.20 O ATOM 1358 CB ASP A 87 2.831 13.452 -7.130 1.00 41.41 C ATOM 1359 CG ASP A 87 2.227 12.488 -8.142 1.00 3.13 C ATOM 1360 OD1 ASP A 87 2.734 12.420 -9.284 1.00 1.34 O ATOM 1361 OD2 ASP A 87 1.242 11.799 -7.804 1.00 21.00 O ATOM 0 H ASP A 87 2.544 15.814 -5.813 1.00 1.31 H new ATOM 0 HA ASP A 87 3.717 14.959 -8.382 1.00 34.12 H new ATOM 0 HB2 ASP A 87 3.834 13.116 -6.865 1.00 41.41 H new ATOM 0 HB3 ASP A 87 2.237 13.435 -6.216 1.00 41.41 H new ATOM 1366 N GLY A 88 1.640 15.218 -9.678 1.00 72.44 N ATOM 1367 CA GLY A 88 0.444 15.359 -10.469 1.00 71.44 C ATOM 1368 C GLY A 88 0.452 14.388 -11.626 1.00 4.20 C ATOM 1369 O GLY A 88 -0.326 14.520 -12.568 1.00 71.21 O ATOM 0 H GLY A 88 2.497 15.114 -10.221 1.00 72.44 H new ATOM 0 HA2 GLY A 88 -0.433 15.183 -9.846 1.00 71.44 H new ATOM 0 HA3 GLY A 88 0.369 16.379 -10.845 1.00 71.44 H new ATOM 1373 N ALA A 89 1.340 13.401 -11.547 1.00 43.23 N ATOM 1374 CA ALA A 89 1.520 12.439 -12.625 1.00 53.33 C ATOM 1375 C ALA A 89 1.055 11.050 -12.208 1.00 55.31 C ATOM 1376 O ALA A 89 0.497 10.308 -13.015 1.00 74.32 O ATOM 1377 CB ALA A 89 2.977 12.398 -13.059 1.00 52.41 C ATOM 0 H ALA A 89 1.948 13.248 -10.742 1.00 43.23 H new ATOM 0 HA ALA A 89 0.908 12.761 -13.468 1.00 53.33 H new ATOM 0 HB1 ALA A 89 3.096 11.674 -13.865 1.00 52.41 H new ATOM 0 HB2 ALA A 89 3.280 13.385 -13.409 1.00 52.41 H new ATOM 0 HB3 ALA A 89 3.600 12.105 -12.214 1.00 52.41 H new ATOM 1383 N TYR A 90 1.299 10.696 -10.954 1.00 45.34 N ATOM 1384 CA TYR A 90 0.889 9.393 -10.446 1.00 44.35 C ATOM 1385 C TYR A 90 -0.523 9.460 -9.880 1.00 41.34 C ATOM 1386 O TYR A 90 -1.459 8.952 -10.496 1.00 33.42 O ATOM 1387 CB TYR A 90 1.870 8.884 -9.385 1.00 74.35 C ATOM 1388 CG TYR A 90 3.275 8.674 -9.910 1.00 45.54 C ATOM 1389 CD1 TYR A 90 3.576 7.581 -10.713 1.00 2.42 C ATOM 1390 CD2 TYR A 90 4.296 9.568 -9.606 1.00 34.20 C ATOM 1391 CE1 TYR A 90 4.853 7.385 -11.198 1.00 73.30 C ATOM 1392 CE2 TYR A 90 5.576 9.377 -10.088 1.00 42.34 C ATOM 1393 CZ TYR A 90 5.848 8.286 -10.883 1.00 74.42 C ATOM 1394 OH TYR A 90 7.120 8.094 -11.366 1.00 62.11 O ATOM 0 H TYR A 90 1.775 11.288 -10.273 1.00 45.34 H new ATOM 0 HA TYR A 90 0.896 8.689 -11.278 1.00 44.35 H new ATOM 0 HB2 TYR A 90 1.902 9.596 -8.560 1.00 74.35 H new ATOM 0 HB3 TYR A 90 1.498 7.943 -8.980 1.00 74.35 H new ATOM 0 HD1 TYR A 90 2.799 6.874 -10.962 1.00 2.42 H new ATOM 0 HD2 TYR A 90 4.085 10.425 -8.983 1.00 34.20 H new ATOM 0 HE1 TYR A 90 5.072 6.530 -11.821 1.00 73.30 H new ATOM 0 HE2 TYR A 90 6.359 10.079 -9.843 1.00 42.34 H new ATOM 0 HH TYR A 90 7.702 8.818 -11.053 1.00 62.11 H new ATOM 1404 N SER A 91 -0.665 10.115 -8.729 1.00 63.10 N ATOM 1405 CA SER A 91 -1.956 10.253 -8.054 1.00 64.24 C ATOM 1406 C SER A 91 -2.556 8.890 -7.688 1.00 32.30 C ATOM 1407 O SER A 91 -3.156 8.211 -8.523 1.00 34.24 O ATOM 1408 CB SER A 91 -2.926 11.049 -8.931 1.00 50.02 C ATOM 1409 OG SER A 91 -2.344 12.283 -9.326 1.00 65.55 O ATOM 0 H SER A 91 0.109 10.564 -8.239 1.00 63.10 H new ATOM 0 HA SER A 91 -1.789 10.795 -7.123 1.00 64.24 H new ATOM 0 HB2 SER A 91 -3.189 10.466 -9.813 1.00 50.02 H new ATOM 0 HB3 SER A 91 -3.850 11.235 -8.384 1.00 50.02 H new ATOM 0 HG SER A 91 -2.977 12.778 -9.887 1.00 65.55 H new ATOM 1415 N VAL A 92 -2.394 8.497 -6.432 1.00 13.31 N ATOM 1416 CA VAL A 92 -2.888 7.205 -5.968 1.00 12.13 C ATOM 1417 C VAL A 92 -4.399 7.241 -5.733 1.00 54.02 C ATOM 1418 O VAL A 92 -5.031 8.295 -5.830 1.00 53.51 O ATOM 1419 CB VAL A 92 -2.177 6.751 -4.672 1.00 24.45 C ATOM 1420 CG1 VAL A 92 -0.693 6.524 -4.927 1.00 73.31 C ATOM 1421 CG2 VAL A 92 -2.383 7.766 -3.554 1.00 45.32 C ATOM 0 H VAL A 92 -1.925 9.052 -5.716 1.00 13.31 H new ATOM 0 HA VAL A 92 -2.666 6.485 -6.756 1.00 12.13 H new ATOM 0 HB VAL A 92 -2.619 5.807 -4.355 1.00 24.45 H new ATOM 0 HG11 VAL A 92 -0.210 6.205 -4.003 1.00 73.31 H new ATOM 0 HG12 VAL A 92 -0.568 5.753 -5.687 1.00 73.31 H new ATOM 0 HG13 VAL A 92 -0.237 7.452 -5.273 1.00 73.31 H new ATOM 0 HG21 VAL A 92 -1.873 7.424 -2.653 1.00 45.32 H new ATOM 0 HG22 VAL A 92 -1.975 8.730 -3.858 1.00 45.32 H new ATOM 0 HG23 VAL A 92 -3.449 7.871 -3.350 1.00 45.32 H new ATOM 1431 N ALA A 93 -4.971 6.082 -5.438 1.00 44.10 N ATOM 1432 CA ALA A 93 -6.399 5.975 -5.177 1.00 52.52 C ATOM 1433 C ALA A 93 -6.638 5.473 -3.759 1.00 31.35 C ATOM 1434 O ALA A 93 -5.686 5.183 -3.035 1.00 35.25 O ATOM 1435 CB ALA A 93 -7.056 5.053 -6.195 1.00 71.30 C ATOM 0 H ALA A 93 -4.465 5.199 -5.373 1.00 44.10 H new ATOM 0 HA ALA A 93 -6.849 6.963 -5.272 1.00 52.52 H new ATOM 0 HB1 ALA A 93 -8.124 4.983 -5.987 1.00 71.30 H new ATOM 0 HB2 ALA A 93 -6.907 5.453 -7.198 1.00 71.30 H new ATOM 0 HB3 ALA A 93 -6.608 4.061 -6.130 1.00 71.30 H new ATOM 1441 N ALA A 94 -7.899 5.345 -3.367 1.00 52.15 N ATOM 1442 CA ALA A 94 -8.238 4.949 -2.009 1.00 22.35 C ATOM 1443 C ALA A 94 -9.528 4.143 -1.983 1.00 70.12 C ATOM 1444 O ALA A 94 -10.589 4.636 -2.375 1.00 72.03 O ATOM 1445 CB ALA A 94 -8.363 6.176 -1.121 1.00 52.25 C ATOM 0 H ALA A 94 -8.704 5.510 -3.972 1.00 52.15 H new ATOM 0 HA ALA A 94 -7.436 4.317 -1.627 1.00 22.35 H new ATOM 0 HB1 ALA A 94 -8.617 5.867 -0.107 1.00 52.25 H new ATOM 0 HB2 ALA A 94 -7.416 6.715 -1.110 1.00 52.25 H new ATOM 0 HB3 ALA A 94 -9.146 6.827 -1.509 1.00 52.25 H new ATOM 1451 N TYR A 95 -9.419 2.904 -1.538 1.00 60.42 N ATOM 1452 CA TYR A 95 -10.577 2.033 -1.394 1.00 11.35 C ATOM 1453 C TYR A 95 -11.018 1.971 0.062 1.00 55.31 C ATOM 1454 O TYR A 95 -10.214 2.170 0.972 1.00 51.55 O ATOM 1455 CB TYR A 95 -10.263 0.622 -1.898 1.00 62.11 C ATOM 1456 CG TYR A 95 -10.293 0.482 -3.403 1.00 21.44 C ATOM 1457 CD1 TYR A 95 -9.156 0.691 -4.169 1.00 72.41 C ATOM 1458 CD2 TYR A 95 -11.466 0.128 -4.055 1.00 15.24 C ATOM 1459 CE1 TYR A 95 -9.187 0.555 -5.544 1.00 54.44 C ATOM 1460 CE2 TYR A 95 -11.506 -0.010 -5.427 1.00 44.43 C ATOM 1461 CZ TYR A 95 -10.366 0.203 -6.166 1.00 71.13 C ATOM 1462 OH TYR A 95 -10.402 0.058 -7.533 1.00 45.52 O ATOM 0 H TYR A 95 -8.535 2.474 -1.268 1.00 60.42 H new ATOM 0 HA TYR A 95 -11.386 2.448 -1.995 1.00 11.35 H new ATOM 0 HB2 TYR A 95 -9.277 0.330 -1.536 1.00 62.11 H new ATOM 0 HB3 TYR A 95 -10.981 -0.075 -1.465 1.00 62.11 H new ATOM 0 HD1 TYR A 95 -8.231 0.965 -3.683 1.00 72.41 H new ATOM 0 HD2 TYR A 95 -12.363 -0.042 -3.478 1.00 15.24 H new ATOM 0 HE1 TYR A 95 -8.294 0.723 -6.127 1.00 54.44 H new ATOM 0 HE2 TYR A 95 -12.428 -0.284 -5.918 1.00 44.43 H new ATOM 0 HH TYR A 95 -11.290 -0.255 -7.805 1.00 45.52 H new ATOM 1472 N ASP A 96 -12.295 1.698 0.274 1.00 62.15 N ATOM 1473 CA ASP A 96 -12.842 1.600 1.620 1.00 73.22 C ATOM 1474 C ASP A 96 -12.308 0.367 2.337 1.00 45.42 C ATOM 1475 O ASP A 96 -12.173 -0.706 1.744 1.00 4.21 O ATOM 1476 CB ASP A 96 -14.374 1.562 1.581 1.00 35.41 C ATOM 1477 CG ASP A 96 -14.977 2.895 1.190 1.00 63.43 C ATOM 1478 OD1 ASP A 96 -14.937 3.244 -0.011 1.00 62.41 O ATOM 1479 OD2 ASP A 96 -15.503 3.602 2.079 1.00 72.42 O ATOM 0 H ASP A 96 -12.975 1.540 -0.470 1.00 62.15 H new ATOM 0 HA ASP A 96 -12.527 2.485 2.173 1.00 73.22 H new ATOM 0 HB2 ASP A 96 -14.697 0.799 0.873 1.00 35.41 H new ATOM 0 HB3 ASP A 96 -14.752 1.269 2.560 1.00 35.41 H new ATOM 1484 N THR A 97 -11.996 0.538 3.613 1.00 32.24 N ATOM 1485 CA THR A 97 -11.461 -0.533 4.441 1.00 52.33 C ATOM 1486 C THR A 97 -12.187 -0.544 5.784 1.00 64.54 C ATOM 1487 O THR A 97 -12.780 0.461 6.179 1.00 70.24 O ATOM 1488 CB THR A 97 -9.958 -0.318 4.701 1.00 31.51 C ATOM 1489 OG1 THR A 97 -9.319 0.164 3.513 1.00 13.21 O ATOM 1490 CG2 THR A 97 -9.283 -1.605 5.150 1.00 45.51 C ATOM 0 H THR A 97 -12.107 1.425 4.105 1.00 32.24 H new ATOM 0 HA THR A 97 -11.605 -1.479 3.919 1.00 52.33 H new ATOM 0 HB THR A 97 -9.861 0.419 5.499 1.00 31.51 H new ATOM 0 HG1 THR A 97 -8.836 0.993 3.714 1.00 13.21 H new ATOM 0 HG21 THR A 97 -8.223 -1.418 5.325 1.00 45.51 H new ATOM 0 HG22 THR A 97 -9.746 -1.956 6.072 1.00 45.51 H new ATOM 0 HG23 THR A 97 -9.395 -2.364 4.376 1.00 45.51 H new ATOM 1498 N GLN A 98 -12.145 -1.672 6.467 1.00 13.04 N ATOM 1499 CA GLN A 98 -12.702 -1.777 7.805 1.00 61.02 C ATOM 1500 C GLN A 98 -12.036 -2.908 8.569 1.00 34.15 C ATOM 1501 O GLN A 98 -11.644 -3.924 7.988 1.00 74.40 O ATOM 1502 CB GLN A 98 -14.218 -1.995 7.770 1.00 1.43 C ATOM 1503 CG GLN A 98 -14.655 -3.239 7.011 1.00 0.44 C ATOM 1504 CD GLN A 98 -16.158 -3.453 7.052 1.00 5.30 C ATOM 1505 OE1 GLN A 98 -16.636 -4.587 7.002 1.00 13.23 O ATOM 1506 NE2 GLN A 98 -16.914 -2.369 7.143 1.00 64.32 N ATOM 0 H GLN A 98 -11.729 -2.534 6.116 1.00 13.04 H new ATOM 0 HA GLN A 98 -12.508 -0.834 8.315 1.00 61.02 H new ATOM 0 HB2 GLN A 98 -14.588 -2.060 8.793 1.00 1.43 H new ATOM 0 HB3 GLN A 98 -14.688 -1.123 7.316 1.00 1.43 H new ATOM 0 HG2 GLN A 98 -14.332 -3.159 5.973 1.00 0.44 H new ATOM 0 HG3 GLN A 98 -14.156 -4.111 7.433 1.00 0.44 H new ATOM 0 HE21 GLN A 98 -16.480 -1.447 7.182 1.00 64.32 H new ATOM 0 HE22 GLN A 98 -17.930 -2.457 7.174 1.00 64.32 H new ATOM 1515 N VAL A 99 -11.890 -2.715 9.867 1.00 72.24 N ATOM 1516 CA VAL A 99 -11.319 -3.733 10.732 1.00 30.02 C ATOM 1517 C VAL A 99 -12.404 -4.360 11.587 1.00 42.43 C ATOM 1518 O VAL A 99 -12.867 -3.764 12.561 1.00 10.45 O ATOM 1519 CB VAL A 99 -10.211 -3.163 11.646 1.00 12.44 C ATOM 1520 CG1 VAL A 99 -9.575 -4.270 12.479 1.00 25.43 C ATOM 1521 CG2 VAL A 99 -9.154 -2.440 10.823 1.00 64.43 C ATOM 0 H VAL A 99 -12.161 -1.857 10.348 1.00 72.24 H new ATOM 0 HA VAL A 99 -10.869 -4.488 10.088 1.00 30.02 H new ATOM 0 HB VAL A 99 -10.669 -2.444 12.325 1.00 12.44 H new ATOM 0 HG11 VAL A 99 -8.798 -3.846 13.115 1.00 25.43 H new ATOM 0 HG12 VAL A 99 -10.336 -4.740 13.101 1.00 25.43 H new ATOM 0 HG13 VAL A 99 -9.135 -5.016 11.817 1.00 25.43 H new ATOM 0 HG21 VAL A 99 -8.383 -2.046 11.486 1.00 64.43 H new ATOM 0 HG22 VAL A 99 -8.704 -3.137 10.116 1.00 64.43 H new ATOM 0 HG23 VAL A 99 -9.617 -1.618 10.277 1.00 64.43 H new ATOM 1531 N THR A 100 -12.835 -5.546 11.202 1.00 63.14 N ATOM 1532 CA THR A 100 -13.800 -6.286 11.986 1.00 44.51 C ATOM 1533 C THR A 100 -13.080 -7.018 13.114 1.00 44.22 C ATOM 1534 O THR A 100 -12.662 -8.168 12.961 1.00 14.10 O ATOM 1535 CB THR A 100 -14.590 -7.283 11.117 1.00 3.53 C ATOM 1536 OG1 THR A 100 -15.134 -6.603 9.975 1.00 34.03 O ATOM 1537 CG2 THR A 100 -15.721 -7.920 11.911 1.00 35.11 C ATOM 0 H THR A 100 -12.531 -6.017 10.350 1.00 63.14 H new ATOM 0 HA THR A 100 -14.517 -5.581 12.406 1.00 44.51 H new ATOM 0 HB THR A 100 -13.908 -8.069 10.792 1.00 3.53 H new ATOM 0 HG1 THR A 100 -15.635 -7.240 9.423 1.00 34.03 H new ATOM 0 HG21 THR A 100 -16.263 -8.620 11.275 1.00 35.11 H new ATOM 0 HG22 THR A 100 -15.309 -8.453 12.768 1.00 35.11 H new ATOM 0 HG23 THR A 100 -16.402 -7.144 12.260 1.00 35.11 H new ATOM 1545 N ASN A 101 -12.874 -6.293 14.215 1.00 0.32 N ATOM 1546 CA ASN A 101 -12.194 -6.803 15.411 1.00 2.31 C ATOM 1547 C ASN A 101 -10.696 -6.957 15.173 1.00 50.22 C ATOM 1548 O ASN A 101 -9.888 -6.250 15.773 1.00 61.21 O ATOM 1549 CB ASN A 101 -12.797 -8.129 15.902 1.00 23.45 C ATOM 1550 CG ASN A 101 -14.162 -7.957 16.546 1.00 73.01 C ATOM 1551 OD1 ASN A 101 -14.951 -7.101 16.150 1.00 41.20 O ATOM 1552 ND2 ASN A 101 -14.445 -8.765 17.556 1.00 64.10 N ATOM 0 H ASN A 101 -13.178 -5.323 14.304 1.00 0.32 H new ATOM 0 HA ASN A 101 -12.347 -6.062 16.195 1.00 2.31 H new ATOM 0 HB2 ASN A 101 -12.882 -8.817 15.061 1.00 23.45 H new ATOM 0 HB3 ASN A 101 -12.117 -8.587 16.621 1.00 23.45 H new ATOM 0 HD21 ASN A 101 -15.343 -8.689 18.034 1.00 64.10 H new ATOM 0 HD22 ASN A 101 -13.765 -9.463 17.856 1.00 64.10 H new ATOM 1559 N GLY A 102 -10.335 -7.880 14.304 1.00 62.33 N ATOM 1560 CA GLY A 102 -8.938 -8.087 13.974 1.00 51.32 C ATOM 1561 C GLY A 102 -8.741 -8.407 12.508 1.00 0.11 C ATOM 1562 O GLY A 102 -7.625 -8.676 12.065 1.00 71.04 O ATOM 0 H GLY A 102 -10.985 -8.496 13.816 1.00 62.33 H new ATOM 0 HA2 GLY A 102 -8.369 -7.193 14.229 1.00 51.32 H new ATOM 0 HA3 GLY A 102 -8.540 -8.901 14.579 1.00 51.32 H new ATOM 1566 N ASN A 103 -9.829 -8.370 11.754 1.00 21.41 N ATOM 1567 CA ASN A 103 -9.790 -8.726 10.343 1.00 31.50 C ATOM 1568 C ASN A 103 -9.823 -7.480 9.473 1.00 61.04 C ATOM 1569 O ASN A 103 -10.784 -6.712 9.518 1.00 13.25 O ATOM 1570 CB ASN A 103 -10.975 -9.630 9.989 1.00 52.32 C ATOM 1571 CG ASN A 103 -11.009 -10.897 10.821 1.00 3.22 C ATOM 1572 OD1 ASN A 103 -9.971 -11.412 11.233 1.00 62.44 O ATOM 1573 ND2 ASN A 103 -12.204 -11.410 11.073 1.00 34.40 N ATOM 0 H ASN A 103 -10.751 -8.097 12.095 1.00 21.41 H new ATOM 0 HA ASN A 103 -8.860 -9.262 10.155 1.00 31.50 H new ATOM 0 HB2 ASN A 103 -11.904 -9.079 10.134 1.00 52.32 H new ATOM 0 HB3 ASN A 103 -10.923 -9.894 8.933 1.00 52.32 H new ATOM 0 HD21 ASN A 103 -12.287 -12.262 11.627 1.00 34.40 H new ATOM 0 HD22 ASN A 103 -13.042 -10.953 10.713 1.00 34.40 H new ATOM 1580 N VAL A 104 -8.770 -7.277 8.695 1.00 15.42 N ATOM 1581 CA VAL A 104 -8.706 -6.144 7.783 1.00 21.32 C ATOM 1582 C VAL A 104 -9.407 -6.492 6.477 1.00 71.22 C ATOM 1583 O VAL A 104 -8.983 -7.397 5.752 1.00 50.41 O ATOM 1584 CB VAL A 104 -7.248 -5.727 7.489 1.00 13.50 C ATOM 1585 CG1 VAL A 104 -7.197 -4.527 6.553 1.00 44.11 C ATOM 1586 CG2 VAL A 104 -6.508 -5.433 8.783 1.00 33.51 C ATOM 0 H VAL A 104 -7.949 -7.881 8.677 1.00 15.42 H new ATOM 0 HA VAL A 104 -9.207 -5.304 8.264 1.00 21.32 H new ATOM 0 HB VAL A 104 -6.753 -6.559 6.989 1.00 13.50 H new ATOM 0 HG11 VAL A 104 -6.158 -4.257 6.364 1.00 44.11 H new ATOM 0 HG12 VAL A 104 -7.683 -4.780 5.611 1.00 44.11 H new ATOM 0 HG13 VAL A 104 -7.713 -3.685 7.013 1.00 44.11 H new ATOM 0 HG21 VAL A 104 -5.482 -5.141 8.557 1.00 33.51 H new ATOM 0 HG22 VAL A 104 -7.008 -4.622 9.312 1.00 33.51 H new ATOM 0 HG23 VAL A 104 -6.502 -6.325 9.409 1.00 33.51 H new ATOM 1596 N GLN A 105 -10.491 -5.786 6.195 1.00 4.45 N ATOM 1597 CA GLN A 105 -11.287 -6.050 5.008 1.00 24.22 C ATOM 1598 C GLN A 105 -11.408 -4.805 4.141 1.00 63.22 C ATOM 1599 O GLN A 105 -11.660 -3.711 4.641 1.00 23.41 O ATOM 1600 CB GLN A 105 -12.673 -6.550 5.410 1.00 14.43 C ATOM 1601 CG GLN A 105 -12.628 -7.834 6.217 1.00 73.42 C ATOM 1602 CD GLN A 105 -13.997 -8.311 6.655 1.00 71.13 C ATOM 1603 OE1 GLN A 105 -14.230 -9.512 6.777 1.00 33.13 O ATOM 1604 NE2 GLN A 105 -14.906 -7.378 6.909 1.00 61.44 N ATOM 0 H GLN A 105 -10.840 -5.023 6.775 1.00 4.45 H new ATOM 0 HA GLN A 105 -10.784 -6.820 4.423 1.00 24.22 H new ATOM 0 HB2 GLN A 105 -13.177 -5.779 5.992 1.00 14.43 H new ATOM 0 HB3 GLN A 105 -13.269 -6.712 4.512 1.00 14.43 H new ATOM 0 HG2 GLN A 105 -12.152 -8.613 5.622 1.00 73.42 H new ATOM 0 HG3 GLN A 105 -12.005 -7.680 7.098 1.00 73.42 H new ATOM 0 HE21 GLN A 105 -14.671 -6.392 6.795 1.00 61.44 H new ATOM 0 HE22 GLN A 105 -15.840 -7.647 7.219 1.00 61.44 H new ATOM 1613 N ILE A 106 -11.222 -4.985 2.845 1.00 2.31 N ATOM 1614 CA ILE A 106 -11.317 -3.894 1.885 1.00 62.52 C ATOM 1615 C ILE A 106 -12.447 -4.147 0.893 1.00 73.54 C ATOM 1616 O ILE A 106 -12.985 -5.254 0.824 1.00 52.20 O ATOM 1617 CB ILE A 106 -9.980 -3.681 1.119 1.00 31.45 C ATOM 1618 CG1 ILE A 106 -9.471 -4.987 0.484 1.00 54.23 C ATOM 1619 CG2 ILE A 106 -8.923 -3.107 2.046 1.00 3.34 C ATOM 1620 CD1 ILE A 106 -10.083 -5.305 -0.865 1.00 53.10 C ATOM 0 H ILE A 106 -11.001 -5.889 2.427 1.00 2.31 H new ATOM 0 HA ILE A 106 -11.531 -2.986 2.449 1.00 62.52 H new ATOM 0 HB ILE A 106 -10.175 -2.972 0.314 1.00 31.45 H new ATOM 0 HG12 ILE A 106 -8.388 -4.925 0.373 1.00 54.23 H new ATOM 0 HG13 ILE A 106 -9.675 -5.812 1.166 1.00 54.23 H new ATOM 0 HG21 ILE A 106 -7.994 -2.964 1.494 1.00 3.34 H new ATOM 0 HG22 ILE A 106 -9.264 -2.148 2.437 1.00 3.34 H new ATOM 0 HG23 ILE A 106 -8.752 -3.796 2.873 1.00 3.34 H new ATOM 0 HD11 ILE A 106 -9.669 -6.241 -1.241 1.00 53.10 H new ATOM 0 HD12 ILE A 106 -11.164 -5.402 -0.761 1.00 53.10 H new ATOM 0 HD13 ILE A 106 -9.857 -4.501 -1.566 1.00 53.10 H new ATOM 1632 N SER A 107 -12.806 -3.122 0.141 1.00 31.23 N ATOM 1633 CA SER A 107 -13.828 -3.246 -0.887 1.00 3.04 C ATOM 1634 C SER A 107 -13.185 -3.357 -2.268 1.00 63.04 C ATOM 1635 O SER A 107 -12.383 -2.507 -2.658 1.00 55.33 O ATOM 1636 CB SER A 107 -14.762 -2.038 -0.842 1.00 45.24 C ATOM 1637 OG SER A 107 -15.298 -1.861 0.455 1.00 73.21 O ATOM 0 H SER A 107 -12.403 -2.189 0.223 1.00 31.23 H new ATOM 0 HA SER A 107 -14.405 -4.151 -0.698 1.00 3.04 H new ATOM 0 HB2 SER A 107 -14.218 -1.142 -1.140 1.00 45.24 H new ATOM 0 HB3 SER A 107 -15.572 -2.173 -1.559 1.00 45.24 H new ATOM 0 HG SER A 107 -14.583 -1.596 1.071 1.00 73.21 H new ATOM 1643 N ILE A 108 -13.529 -4.405 -2.998 1.00 60.42 N ATOM 1644 CA ILE A 108 -12.994 -4.604 -4.339 1.00 62.04 C ATOM 1645 C ILE A 108 -13.951 -4.078 -5.409 1.00 24.32 C ATOM 1646 O ILE A 108 -14.999 -4.664 -5.672 1.00 63.13 O ATOM 1647 CB ILE A 108 -12.636 -6.088 -4.618 1.00 75.11 C ATOM 1648 CG1 ILE A 108 -13.450 -7.055 -3.736 1.00 4.01 C ATOM 1649 CG2 ILE A 108 -11.143 -6.315 -4.416 1.00 71.11 C ATOM 1650 CD1 ILE A 108 -14.899 -7.224 -4.150 1.00 1.43 C ATOM 0 H ILE A 108 -14.175 -5.131 -2.687 1.00 60.42 H new ATOM 0 HA ILE A 108 -12.070 -4.028 -4.388 1.00 62.04 H new ATOM 0 HB ILE A 108 -12.895 -6.299 -5.655 1.00 75.11 H new ATOM 0 HG12 ILE A 108 -12.966 -8.032 -3.750 1.00 4.01 H new ATOM 0 HG13 ILE A 108 -13.420 -6.699 -2.706 1.00 4.01 H new ATOM 0 HG21 ILE A 108 -10.904 -7.360 -4.615 1.00 71.11 H new ATOM 0 HG22 ILE A 108 -10.582 -5.678 -5.100 1.00 71.11 H new ATOM 0 HG23 ILE A 108 -10.873 -6.070 -3.389 1.00 71.11 H new ATOM 0 HD11 ILE A 108 -15.392 -7.922 -3.473 1.00 1.43 H new ATOM 0 HD12 ILE A 108 -15.404 -6.259 -4.108 1.00 1.43 H new ATOM 0 HD13 ILE A 108 -14.944 -7.613 -5.167 1.00 1.43 H new ATOM 1662 N ALA A 109 -13.589 -2.957 -6.016 1.00 35.42 N ATOM 1663 CA ALA A 109 -14.410 -2.358 -7.059 1.00 21.31 C ATOM 1664 C ALA A 109 -13.564 -1.969 -8.267 1.00 35.04 C ATOM 1665 O ALA A 109 -13.048 -0.852 -8.346 1.00 13.31 O ATOM 1666 CB ALA A 109 -15.162 -1.148 -6.520 1.00 33.22 C ATOM 0 H ALA A 109 -12.733 -2.444 -5.805 1.00 35.42 H new ATOM 0 HA ALA A 109 -15.138 -3.102 -7.383 1.00 21.31 H new ATOM 0 HB1 ALA A 109 -15.770 -0.714 -7.314 1.00 33.22 H new ATOM 0 HB2 ALA A 109 -15.807 -1.457 -5.697 1.00 33.22 H new ATOM 0 HB3 ALA A 109 -14.448 -0.406 -6.163 1.00 33.22 H new ATOM 1672 N ASP A 110 -13.408 -2.905 -9.193 1.00 13.05 N ATOM 1673 CA ASP A 110 -12.662 -2.659 -10.425 1.00 21.52 C ATOM 1674 C ASP A 110 -13.072 -3.678 -11.477 1.00 54.54 C ATOM 1675 O ASP A 110 -13.315 -4.844 -11.163 1.00 54.40 O ATOM 1676 CB ASP A 110 -11.149 -2.733 -10.182 1.00 75.43 C ATOM 1677 CG ASP A 110 -10.329 -2.048 -11.269 1.00 13.30 C ATOM 1678 OD1 ASP A 110 -10.697 -2.132 -12.460 1.00 0.45 O ATOM 1679 OD2 ASP A 110 -9.315 -1.407 -10.933 1.00 32.41 O ATOM 0 H ASP A 110 -13.790 -3.848 -9.116 1.00 13.05 H new ATOM 0 HA ASP A 110 -12.896 -1.654 -10.776 1.00 21.52 H new ATOM 0 HB2 ASP A 110 -10.920 -2.274 -9.220 1.00 75.43 H new ATOM 0 HB3 ASP A 110 -10.850 -3.779 -10.116 1.00 75.43 H new ATOM 1684 N SER A 111 -13.155 -3.233 -12.717 1.00 43.41 N ATOM 1685 CA SER A 111 -13.598 -4.086 -13.811 1.00 53.33 C ATOM 1686 C SER A 111 -12.415 -4.727 -14.529 1.00 3.41 C ATOM 1687 O SER A 111 -12.595 -5.627 -15.351 1.00 2.52 O ATOM 1688 CB SER A 111 -14.419 -3.269 -14.805 1.00 23.35 C ATOM 1689 OG SER A 111 -15.464 -2.566 -14.152 1.00 12.32 O ATOM 0 H SER A 111 -12.920 -2.280 -12.996 1.00 43.41 H new ATOM 0 HA SER A 111 -14.213 -4.881 -13.390 1.00 53.33 H new ATOM 0 HB2 SER A 111 -13.770 -2.563 -15.323 1.00 23.35 H new ATOM 0 HB3 SER A 111 -14.840 -3.930 -15.563 1.00 23.35 H new ATOM 0 HG SER A 111 -15.973 -2.050 -14.811 1.00 12.32 H new ATOM 1695 N ASP A 112 -11.209 -4.268 -14.222 1.00 61.20 N ATOM 1696 CA ASP A 112 -10.019 -4.757 -14.898 1.00 25.11 C ATOM 1697 C ASP A 112 -9.443 -5.946 -14.151 1.00 0.23 C ATOM 1698 O ASP A 112 -8.684 -5.787 -13.196 1.00 12.35 O ATOM 1699 CB ASP A 112 -8.967 -3.658 -15.014 1.00 32.31 C ATOM 1700 CG ASP A 112 -7.911 -3.977 -16.051 1.00 3.52 C ATOM 1701 OD1 ASP A 112 -6.980 -4.753 -15.753 1.00 60.32 O ATOM 1702 OD2 ASP A 112 -8.007 -3.442 -17.177 1.00 2.12 O ATOM 0 H ASP A 112 -11.031 -3.559 -13.510 1.00 61.20 H new ATOM 0 HA ASP A 112 -10.304 -5.069 -15.903 1.00 25.11 H new ATOM 0 HB2 ASP A 112 -9.454 -2.718 -15.273 1.00 32.31 H new ATOM 0 HB3 ASP A 112 -8.489 -3.513 -14.045 1.00 32.31 H new ATOM 1707 N VAL A 113 -9.845 -7.136 -14.564 1.00 54.42 N ATOM 1708 CA VAL A 113 -9.358 -8.358 -13.950 1.00 32.44 C ATOM 1709 C VAL A 113 -8.369 -9.061 -14.870 1.00 72.35 C ATOM 1710 O VAL A 113 -8.680 -9.364 -16.024 1.00 43.04 O ATOM 1711 CB VAL A 113 -10.511 -9.324 -13.613 1.00 73.13 C ATOM 1712 CG1 VAL A 113 -10.002 -10.520 -12.824 1.00 15.04 C ATOM 1713 CG2 VAL A 113 -11.616 -8.603 -12.853 1.00 20.53 C ATOM 0 H VAL A 113 -10.509 -7.281 -15.324 1.00 54.42 H new ATOM 0 HA VAL A 113 -8.860 -8.075 -13.023 1.00 32.44 H new ATOM 0 HB VAL A 113 -10.929 -9.692 -14.550 1.00 73.13 H new ATOM 0 HG11 VAL A 113 -10.834 -11.187 -12.598 1.00 15.04 H new ATOM 0 HG12 VAL A 113 -9.258 -11.055 -13.414 1.00 15.04 H new ATOM 0 HG13 VAL A 113 -9.549 -10.176 -11.894 1.00 15.04 H new ATOM 0 HG21 VAL A 113 -12.419 -9.304 -12.626 1.00 20.53 H new ATOM 0 HG22 VAL A 113 -11.214 -8.198 -11.924 1.00 20.53 H new ATOM 0 HG23 VAL A 113 -12.007 -7.790 -13.464 1.00 20.53 H new ATOM 1723 N ALA A 114 -7.179 -9.302 -14.357 1.00 3.41 N ATOM 1724 CA ALA A 114 -6.149 -10.009 -15.098 1.00 12.24 C ATOM 1725 C ALA A 114 -6.265 -11.512 -14.875 1.00 41.03 C ATOM 1726 O ALA A 114 -6.765 -11.956 -13.839 1.00 42.10 O ATOM 1727 CB ALA A 114 -4.772 -9.512 -14.690 1.00 61.43 C ATOM 0 H ALA A 114 -6.898 -9.016 -13.419 1.00 3.41 H new ATOM 0 HA ALA A 114 -6.288 -9.811 -16.161 1.00 12.24 H new ATOM 0 HB1 ALA A 114 -4.009 -10.050 -15.253 1.00 61.43 H new ATOM 0 HB2 ALA A 114 -4.693 -8.445 -14.900 1.00 61.43 H new ATOM 0 HB3 ALA A 114 -4.624 -9.683 -13.624 1.00 61.43 H new ATOM 1733 N VAL A 115 -5.825 -12.286 -15.858 1.00 3.20 N ATOM 1734 CA VAL A 115 -5.842 -13.743 -15.762 1.00 75.40 C ATOM 1735 C VAL A 115 -4.860 -14.217 -14.693 1.00 12.12 C ATOM 1736 O VAL A 115 -3.730 -13.728 -14.619 1.00 75.25 O ATOM 1737 CB VAL A 115 -5.486 -14.400 -17.115 1.00 32.14 C ATOM 1738 CG1 VAL A 115 -5.522 -15.919 -17.019 1.00 43.20 C ATOM 1739 CG2 VAL A 115 -6.424 -13.913 -18.207 1.00 72.33 C ATOM 0 H VAL A 115 -5.450 -11.928 -16.736 1.00 3.20 H new ATOM 0 HA VAL A 115 -6.853 -14.043 -15.487 1.00 75.40 H new ATOM 0 HB VAL A 115 -4.468 -14.105 -17.372 1.00 32.14 H new ATOM 0 HG11 VAL A 115 -5.267 -16.351 -17.987 1.00 43.20 H new ATOM 0 HG12 VAL A 115 -4.803 -16.253 -16.272 1.00 43.20 H new ATOM 0 HG13 VAL A 115 -6.522 -16.242 -16.730 1.00 43.20 H new ATOM 0 HG21 VAL A 115 -6.158 -14.386 -19.152 1.00 72.33 H new ATOM 0 HG22 VAL A 115 -7.450 -14.172 -17.947 1.00 72.33 H new ATOM 0 HG23 VAL A 115 -6.337 -12.831 -18.306 1.00 72.33 H new ATOM 1749 N ASP A 116 -5.296 -15.156 -13.861 1.00 35.52 N ATOM 1750 CA ASP A 116 -4.449 -15.686 -12.798 1.00 31.24 C ATOM 1751 C ASP A 116 -4.594 -17.201 -12.696 1.00 44.44 C ATOM 1752 O ASP A 116 -5.640 -17.761 -13.032 1.00 71.15 O ATOM 1753 CB ASP A 116 -4.797 -15.037 -11.454 1.00 73.34 C ATOM 1754 CG ASP A 116 -3.907 -15.530 -10.330 1.00 0.13 C ATOM 1755 OD1 ASP A 116 -2.774 -15.016 -10.193 1.00 24.21 O ATOM 1756 OD2 ASP A 116 -4.332 -16.439 -9.584 1.00 21.22 O ATOM 0 H ASP A 116 -6.229 -15.566 -13.901 1.00 35.52 H new ATOM 0 HA ASP A 116 -3.414 -15.449 -13.045 1.00 31.24 H new ATOM 0 HB2 ASP A 116 -4.703 -13.954 -11.541 1.00 73.34 H new ATOM 0 HB3 ASP A 116 -5.838 -15.248 -11.210 1.00 73.34 H new ATOM 1761 N ASN A 117 -3.538 -17.857 -12.242 1.00 64.23 N ATOM 1762 CA ASN A 117 -3.529 -19.306 -12.099 1.00 42.34 C ATOM 1763 C ASN A 117 -2.650 -19.708 -10.916 1.00 31.45 C ATOM 1764 O ASN A 117 -2.051 -20.785 -10.910 1.00 73.33 O ATOM 1765 CB ASN A 117 -3.020 -19.963 -13.393 1.00 3.43 C ATOM 1766 CG ASN A 117 -1.629 -19.491 -13.788 1.00 4.23 C ATOM 1767 OD1 ASN A 117 -1.476 -18.500 -14.500 1.00 41.52 O ATOM 1768 ND2 ASN A 117 -0.608 -20.199 -13.337 1.00 34.12 N ATOM 0 H ASN A 117 -2.667 -17.404 -11.963 1.00 64.23 H new ATOM 0 HA ASN A 117 -4.546 -19.650 -11.912 1.00 42.34 H new ATOM 0 HB2 ASN A 117 -3.008 -21.045 -13.265 1.00 3.43 H new ATOM 0 HB3 ASN A 117 -3.716 -19.745 -14.203 1.00 3.43 H new ATOM 0 HD21 ASN A 117 0.346 -19.929 -13.578 1.00 34.12 H new ATOM 0 HD22 ASN A 117 -0.774 -21.015 -12.748 1.00 34.12 H new ATOM 1775 N SER A 118 -2.599 -18.837 -9.910 1.00 5.43 N ATOM 1776 CA SER A 118 -1.733 -19.040 -8.750 1.00 4.23 C ATOM 1777 C SER A 118 -2.052 -20.352 -8.032 1.00 41.31 C ATOM 1778 O SER A 118 -1.165 -21.181 -7.813 1.00 40.33 O ATOM 1779 CB SER A 118 -1.874 -17.866 -7.776 1.00 40.52 C ATOM 1780 OG SER A 118 -1.003 -18.011 -6.664 1.00 35.51 O ATOM 0 H SER A 118 -3.150 -17.980 -9.875 1.00 5.43 H new ATOM 0 HA SER A 118 -0.705 -19.094 -9.109 1.00 4.23 H new ATOM 0 HB2 SER A 118 -1.654 -16.933 -8.294 1.00 40.52 H new ATOM 0 HB3 SER A 118 -2.905 -17.802 -7.427 1.00 40.52 H new ATOM 0 HG SER A 118 -1.113 -17.247 -6.060 1.00 35.51 H new ATOM 1786 N GLN A 119 -3.312 -20.543 -7.669 1.00 34.23 N ATOM 1787 CA GLN A 119 -3.708 -21.727 -6.925 1.00 40.44 C ATOM 1788 C GLN A 119 -5.053 -22.248 -7.415 1.00 43.14 C ATOM 1789 O GLN A 119 -5.764 -21.555 -8.147 1.00 70.12 O ATOM 1790 CB GLN A 119 -3.783 -21.414 -5.424 1.00 13.02 C ATOM 1791 CG GLN A 119 -4.867 -20.417 -5.049 1.00 75.35 C ATOM 1792 CD GLN A 119 -4.987 -20.231 -3.551 1.00 1.23 C ATOM 1793 OE1 GLN A 119 -4.340 -19.364 -2.963 1.00 71.32 O ATOM 1794 NE2 GLN A 119 -5.813 -21.053 -2.926 1.00 62.23 N ATOM 0 H GLN A 119 -4.073 -19.897 -7.877 1.00 34.23 H new ATOM 0 HA GLN A 119 -2.956 -22.499 -7.089 1.00 40.44 H new ATOM 0 HB2 GLN A 119 -3.954 -22.342 -4.879 1.00 13.02 H new ATOM 0 HB3 GLN A 119 -2.819 -21.025 -5.097 1.00 13.02 H new ATOM 0 HG2 GLN A 119 -4.650 -19.456 -5.515 1.00 75.35 H new ATOM 0 HG3 GLN A 119 -5.823 -20.756 -5.448 1.00 75.35 H new ATOM 0 HE21 GLN A 119 -6.329 -21.757 -3.454 1.00 62.23 H new ATOM 0 HE22 GLN A 119 -5.934 -20.983 -1.916 1.00 62.23 H new ATOM 1803 N PRO A 120 -5.407 -23.490 -7.051 1.00 50.03 N ATOM 1804 CA PRO A 120 -6.738 -24.026 -7.312 1.00 34.41 C ATOM 1805 C PRO A 120 -7.780 -23.341 -6.436 1.00 5.00 C ATOM 1806 O PRO A 120 -7.538 -23.091 -5.255 1.00 42.23 O ATOM 1807 CB PRO A 120 -6.621 -25.514 -6.947 1.00 4.41 C ATOM 1808 CG PRO A 120 -5.159 -25.779 -6.811 1.00 2.25 C ATOM 1809 CD PRO A 120 -4.544 -24.478 -6.388 1.00 31.24 C ATOM 0 HA PRO A 120 -7.055 -23.869 -8.343 1.00 34.41 H new ATOM 0 HB2 PRO A 120 -7.147 -25.732 -6.018 1.00 4.41 H new ATOM 0 HB3 PRO A 120 -7.063 -26.143 -7.719 1.00 4.41 H new ATOM 0 HG2 PRO A 120 -4.970 -26.559 -6.073 1.00 2.25 H new ATOM 0 HG3 PRO A 120 -4.735 -26.123 -7.754 1.00 2.25 H new ATOM 0 HD2 PRO A 120 -4.549 -24.360 -5.304 1.00 31.24 H new ATOM 0 HD3 PRO A 120 -3.507 -24.394 -6.713 1.00 31.24 H new ATOM 1817 N LEU A 121 -8.922 -23.016 -7.022 1.00 33.44 N ATOM 1818 CA LEU A 121 -10.001 -22.381 -6.281 1.00 41.54 C ATOM 1819 C LEU A 121 -10.597 -23.357 -5.273 1.00 13.05 C ATOM 1820 O LEU A 121 -10.553 -24.571 -5.494 1.00 42.40 O ATOM 1821 CB LEU A 121 -11.091 -21.880 -7.235 1.00 4.24 C ATOM 1822 CG LEU A 121 -10.641 -20.822 -8.245 1.00 11.34 C ATOM 1823 CD1 LEU A 121 -11.824 -20.335 -9.072 1.00 24.12 C ATOM 1824 CD2 LEU A 121 -9.969 -19.656 -7.535 1.00 3.24 C ATOM 0 H LEU A 121 -9.126 -23.181 -8.008 1.00 33.44 H new ATOM 0 HA LEU A 121 -9.590 -21.526 -5.744 1.00 41.54 H new ATOM 0 HB2 LEU A 121 -11.492 -22.733 -7.782 1.00 4.24 H new ATOM 0 HB3 LEU A 121 -11.908 -21.469 -6.643 1.00 4.24 H new ATOM 0 HG LEU A 121 -9.915 -21.277 -8.919 1.00 11.34 H new ATOM 0 HD11 LEU A 121 -11.485 -19.583 -9.785 1.00 24.12 H new ATOM 0 HD12 LEU A 121 -12.261 -21.175 -9.611 1.00 24.12 H new ATOM 0 HD13 LEU A 121 -12.574 -19.898 -8.412 1.00 24.12 H new ATOM 0 HD21 LEU A 121 -9.656 -18.914 -8.270 1.00 3.24 H new ATOM 0 HD22 LEU A 121 -10.672 -19.201 -6.837 1.00 3.24 H new ATOM 0 HD23 LEU A 121 -9.097 -20.016 -6.989 1.00 3.24 H new ATOM 1836 N PRO A 122 -11.144 -22.844 -4.152 1.00 21.24 N ATOM 1837 CA PRO A 122 -11.757 -23.679 -3.111 1.00 45.54 C ATOM 1838 C PRO A 122 -12.722 -24.705 -3.697 1.00 63.42 C ATOM 1839 O PRO A 122 -13.519 -24.385 -4.581 1.00 11.13 O ATOM 1840 CB PRO A 122 -12.512 -22.667 -2.249 1.00 62.52 C ATOM 1841 CG PRO A 122 -11.753 -21.395 -2.409 1.00 54.14 C ATOM 1842 CD PRO A 122 -11.207 -21.407 -3.811 1.00 33.21 C ATOM 0 HA PRO A 122 -11.018 -24.260 -2.560 1.00 45.54 H new ATOM 0 HB2 PRO A 122 -13.545 -22.557 -2.580 1.00 62.52 H new ATOM 0 HB3 PRO A 122 -12.544 -22.981 -1.206 1.00 62.52 H new ATOM 0 HG2 PRO A 122 -12.400 -20.533 -2.251 1.00 54.14 H new ATOM 0 HG3 PRO A 122 -10.947 -21.327 -1.678 1.00 54.14 H new ATOM 0 HD2 PRO A 122 -11.854 -20.861 -4.497 1.00 33.21 H new ATOM 0 HD3 PRO A 122 -10.223 -20.940 -3.861 1.00 33.21 H new ATOM 1850 N LEU A 123 -12.642 -25.936 -3.213 1.00 45.34 N ATOM 1851 CA LEU A 123 -13.445 -27.017 -3.761 1.00 24.22 C ATOM 1852 C LEU A 123 -14.893 -26.894 -3.306 1.00 33.04 C ATOM 1853 O LEU A 123 -15.245 -27.282 -2.191 1.00 53.22 O ATOM 1854 CB LEU A 123 -12.872 -28.377 -3.348 1.00 51.22 C ATOM 1855 CG LEU A 123 -13.609 -29.594 -3.911 1.00 62.44 C ATOM 1856 CD1 LEU A 123 -13.562 -29.596 -5.430 1.00 1.43 C ATOM 1857 CD2 LEU A 123 -13.017 -30.881 -3.354 1.00 13.53 C ATOM 0 H LEU A 123 -12.031 -26.210 -2.444 1.00 45.34 H new ATOM 0 HA LEU A 123 -13.417 -26.944 -4.848 1.00 24.22 H new ATOM 0 HB2 LEU A 123 -11.830 -28.425 -3.664 1.00 51.22 H new ATOM 0 HB3 LEU A 123 -12.878 -28.440 -2.260 1.00 51.22 H new ATOM 0 HG LEU A 123 -14.653 -29.534 -3.603 1.00 62.44 H new ATOM 0 HD11 LEU A 123 -14.092 -30.470 -5.809 1.00 1.43 H new ATOM 0 HD12 LEU A 123 -14.036 -28.691 -5.810 1.00 1.43 H new ATOM 0 HD13 LEU A 123 -12.524 -29.629 -5.762 1.00 1.43 H new ATOM 0 HD21 LEU A 123 -13.553 -31.736 -3.765 1.00 13.53 H new ATOM 0 HD22 LEU A 123 -11.964 -30.946 -3.629 1.00 13.53 H new ATOM 0 HD23 LEU A 123 -13.109 -30.883 -2.268 1.00 13.53 H new ATOM 1869 N GLU A 124 -15.721 -26.322 -4.162 1.00 74.35 N ATOM 1870 CA GLU A 124 -17.138 -26.217 -3.889 1.00 60.15 C ATOM 1871 C GLU A 124 -17.899 -27.280 -4.661 1.00 42.34 C ATOM 1872 O GLU A 124 -17.768 -27.388 -5.879 1.00 13.23 O ATOM 1873 CB GLU A 124 -17.672 -24.833 -4.263 1.00 53.24 C ATOM 1874 CG GLU A 124 -19.173 -24.703 -4.053 1.00 52.13 C ATOM 1875 CD GLU A 124 -19.728 -23.377 -4.520 1.00 73.43 C ATOM 1876 OE1 GLU A 124 -20.031 -23.245 -5.721 1.00 73.22 O ATOM 1877 OE2 GLU A 124 -19.896 -22.470 -3.681 1.00 12.31 O ATOM 0 H GLU A 124 -15.432 -25.922 -5.055 1.00 74.35 H new ATOM 0 HA GLU A 124 -17.285 -26.367 -2.819 1.00 60.15 H new ATOM 0 HB2 GLU A 124 -17.160 -24.078 -3.667 1.00 53.24 H new ATOM 0 HB3 GLU A 124 -17.437 -24.628 -5.307 1.00 53.24 H new ATOM 0 HG2 GLU A 124 -19.679 -25.509 -4.585 1.00 52.13 H new ATOM 0 HG3 GLU A 124 -19.397 -24.831 -2.994 1.00 52.13 H new ATOM 1884 N HIS A 125 -18.683 -28.067 -3.948 1.00 23.12 N ATOM 1885 CA HIS A 125 -19.547 -29.051 -4.578 1.00 51.35 C ATOM 1886 C HIS A 125 -20.962 -28.917 -4.029 1.00 2.11 C ATOM 1887 O HIS A 125 -21.673 -29.905 -3.855 1.00 23.52 O ATOM 1888 CB HIS A 125 -19.010 -30.483 -4.385 1.00 34.31 C ATOM 1889 CG HIS A 125 -18.821 -30.909 -2.956 1.00 72.43 C ATOM 1890 ND1 HIS A 125 -19.775 -31.599 -2.240 1.00 5.23 N ATOM 1891 CD2 HIS A 125 -17.764 -30.764 -2.123 1.00 11.51 C ATOM 1892 CE1 HIS A 125 -19.314 -31.859 -1.032 1.00 73.13 C ATOM 1893 NE2 HIS A 125 -18.093 -31.365 -0.934 1.00 52.14 N ATOM 0 H HIS A 125 -18.740 -28.045 -2.930 1.00 23.12 H new ATOM 0 HA HIS A 125 -19.564 -28.860 -5.651 1.00 51.35 H new ATOM 0 HB2 HIS A 125 -19.696 -31.179 -4.867 1.00 34.31 H new ATOM 0 HB3 HIS A 125 -18.054 -30.568 -4.902 1.00 34.31 H new ATOM 0 HD2 HIS A 125 -16.833 -30.267 -2.352 1.00 11.51 H new ATOM 0 HE1 HIS A 125 -19.845 -32.387 -0.254 1.00 73.13 H new ATOM 0 HE2 HIS A 125 -17.494 -31.421 -0.111 1.00 52.14 H new ATOM 1902 N HIS A 126 -21.359 -27.672 -3.766 1.00 73.22 N ATOM 1903 CA HIS A 126 -22.690 -27.380 -3.243 1.00 63.45 C ATOM 1904 C HIS A 126 -23.751 -27.824 -4.236 1.00 53.11 C ATOM 1905 O HIS A 126 -23.929 -27.210 -5.286 1.00 72.34 O ATOM 1906 CB HIS A 126 -22.854 -25.887 -2.937 1.00 24.12 C ATOM 1907 CG HIS A 126 -22.029 -25.407 -1.782 1.00 52.23 C ATOM 1908 ND1 HIS A 126 -21.551 -24.118 -1.682 1.00 22.50 N ATOM 1909 CD2 HIS A 126 -21.596 -26.055 -0.675 1.00 62.43 C ATOM 1910 CE1 HIS A 126 -20.856 -23.995 -0.566 1.00 54.43 C ATOM 1911 NE2 HIS A 126 -20.869 -25.155 0.061 1.00 65.24 N ATOM 0 H HIS A 126 -20.774 -26.848 -3.908 1.00 73.22 H new ATOM 0 HA HIS A 126 -22.812 -27.933 -2.311 1.00 63.45 H new ATOM 0 HB2 HIS A 126 -22.587 -25.313 -3.824 1.00 24.12 H new ATOM 0 HB3 HIS A 126 -23.904 -25.682 -2.730 1.00 24.12 H new ATOM 0 HD2 HIS A 126 -21.787 -27.087 -0.420 1.00 62.43 H new ATOM 0 HE1 HIS A 126 -20.361 -23.098 -0.225 1.00 54.43 H new ATOM 0 HE2 HIS A 126 -20.411 -25.351 0.951 1.00 65.24 H new ATOM 1920 N HIS A 127 -24.430 -28.907 -3.902 1.00 21.30 N ATOM 1921 CA HIS A 127 -25.429 -29.496 -4.777 1.00 22.34 C ATOM 1922 C HIS A 127 -26.464 -30.244 -3.945 1.00 70.42 C ATOM 1923 O HIS A 127 -26.207 -31.342 -3.456 1.00 10.21 O ATOM 1924 CB HIS A 127 -24.752 -30.440 -5.782 1.00 52.05 C ATOM 1925 CG HIS A 127 -25.694 -31.117 -6.729 1.00 12.22 C ATOM 1926 ND1 HIS A 127 -25.821 -32.486 -6.800 1.00 41.44 N ATOM 1927 CD2 HIS A 127 -26.543 -30.613 -7.656 1.00 52.24 C ATOM 1928 CE1 HIS A 127 -26.705 -32.797 -7.730 1.00 63.05 C ATOM 1929 NE2 HIS A 127 -27.160 -31.679 -8.264 1.00 64.32 N ATOM 0 H HIS A 127 -24.305 -29.402 -3.019 1.00 21.30 H new ATOM 0 HA HIS A 127 -25.935 -28.707 -5.334 1.00 22.34 H new ATOM 0 HB2 HIS A 127 -24.022 -29.873 -6.359 1.00 52.05 H new ATOM 0 HB3 HIS A 127 -24.201 -31.202 -5.231 1.00 52.05 H new ATOM 0 HD2 HIS A 127 -26.705 -29.568 -7.876 1.00 52.24 H new ATOM 0 HE1 HIS A 127 -27.005 -33.797 -8.007 1.00 63.05 H new ATOM 0 HE2 HIS A 127 -27.856 -31.617 -9.007 1.00 64.32 H new ATOM 1938 N HIS A 128 -27.619 -29.625 -3.764 1.00 0.43 N ATOM 1939 CA HIS A 128 -28.674 -30.187 -2.932 1.00 43.01 C ATOM 1940 C HIS A 128 -29.789 -30.788 -3.766 1.00 62.24 C ATOM 1941 O HIS A 128 -30.086 -30.317 -4.862 1.00 24.00 O ATOM 1942 CB HIS A 128 -29.292 -29.115 -2.033 1.00 50.24 C ATOM 1943 CG HIS A 128 -28.411 -28.631 -0.929 1.00 71.32 C ATOM 1944 ND1 HIS A 128 -28.716 -28.813 0.400 1.00 4.31 N ATOM 1945 CD2 HIS A 128 -27.251 -27.937 -0.959 1.00 12.44 C ATOM 1946 CE1 HIS A 128 -27.780 -28.249 1.143 1.00 54.30 C ATOM 1947 NE2 HIS A 128 -26.876 -27.707 0.341 1.00 60.34 N ATOM 0 H HIS A 128 -27.852 -28.726 -4.185 1.00 0.43 H new ATOM 0 HA HIS A 128 -28.206 -30.966 -2.330 1.00 43.01 H new ATOM 0 HB2 HIS A 128 -29.575 -28.263 -2.651 1.00 50.24 H new ATOM 0 HB3 HIS A 128 -30.209 -29.512 -1.598 1.00 50.24 H new ATOM 0 HD1 HIS A 128 -29.535 -29.306 0.756 1.00 4.31 H new ATOM 0 HD2 HIS A 128 -26.718 -27.622 -1.843 1.00 12.44 H new ATOM 0 HE1 HIS A 128 -27.756 -28.233 2.223 1.00 54.30 H new ATOM 1956 N HIS A 129 -30.398 -31.830 -3.235 1.00 24.51 N ATOM 1957 CA HIS A 129 -31.665 -32.322 -3.740 1.00 31.45 C ATOM 1958 C HIS A 129 -32.759 -31.871 -2.788 1.00 21.01 C ATOM 1959 O HIS A 129 -33.946 -31.879 -3.115 1.00 34.25 O ATOM 1960 CB HIS A 129 -31.660 -33.848 -3.862 1.00 44.24 C ATOM 1961 CG HIS A 129 -30.832 -34.357 -5.001 1.00 40.14 C ATOM 1962 ND1 HIS A 129 -29.729 -35.166 -4.833 1.00 60.45 N ATOM 1963 CD2 HIS A 129 -30.965 -34.183 -6.336 1.00 24.42 C ATOM 1964 CE1 HIS A 129 -29.219 -35.463 -6.014 1.00 2.52 C ATOM 1965 NE2 HIS A 129 -29.953 -34.881 -6.941 1.00 1.13 N ATOM 0 H HIS A 129 -30.030 -32.358 -2.444 1.00 24.51 H new ATOM 0 HA HIS A 129 -31.840 -31.920 -4.738 1.00 31.45 H new ATOM 0 HB2 HIS A 129 -31.286 -34.277 -2.932 1.00 44.24 H new ATOM 0 HB3 HIS A 129 -32.685 -34.197 -3.985 1.00 44.24 H new ATOM 0 HD2 HIS A 129 -31.728 -33.602 -6.833 1.00 24.42 H new ATOM 0 HE1 HIS A 129 -28.349 -36.078 -6.190 1.00 2.52 H new ATOM 0 HE2 HIS A 129 -29.793 -34.941 -7.947 1.00 1.13 H new ATOM 1974 N HIS A 130 -32.326 -31.481 -1.597 1.00 4.00 N ATOM 1975 CA HIS A 130 -33.197 -30.911 -0.587 1.00 51.13 C ATOM 1976 C HIS A 130 -32.436 -29.834 0.174 1.00 54.33 C ATOM 1977 O HIS A 130 -31.278 -30.092 0.566 1.00 37.85 O ATOM 1978 CB HIS A 130 -33.738 -31.989 0.372 1.00 54.20 C ATOM 1979 CG HIS A 130 -32.687 -32.740 1.139 1.00 55.13 C ATOM 1980 ND1 HIS A 130 -32.152 -33.934 0.709 1.00 64.33 N ATOM 1981 CD2 HIS A 130 -32.086 -32.467 2.323 1.00 24.23 C ATOM 1982 CE1 HIS A 130 -31.270 -34.362 1.592 1.00 32.03 C ATOM 1983 NE2 HIS A 130 -31.211 -33.491 2.581 1.00 33.32 N ATOM 1984 OXT HIS A 130 -32.989 -28.732 0.361 1.00 37.85 O ATOM 0 H HIS A 130 -31.351 -31.553 -1.305 1.00 4.00 H new ATOM 0 HA HIS A 130 -34.062 -30.466 -1.079 1.00 51.13 H new ATOM 0 HB2 HIS A 130 -34.416 -31.515 1.082 1.00 54.20 H new ATOM 0 HB3 HIS A 130 -34.327 -32.703 -0.203 1.00 54.20 H new ATOM 0 HD2 HIS A 130 -32.263 -31.604 2.947 1.00 24.23 H new ATOM 0 HE1 HIS A 130 -30.693 -35.272 1.518 1.00 32.03 H new ATOM 0 HE2 HIS A 130 -30.612 -33.567 3.403 1.00 33.32 H new TER 1993 HIS A 130