USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1042 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 52 GLN :FLIP amide:sc= -2.08! C(o=-17!,f=-8.8!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.662 USER MOD Set 1.3: A 107 MET CE :methyl -175:sc= -6.04! (180deg=-6.38!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -149:sc= 0.239 (180deg=0) USER MOD Set 2.2: A 20 TYR OH : rot 99:sc= 0.561 USER MOD Set 2.3: A 47 HIS :FLIP no HE2:sc= 0.224 F(o=0.26,f=1) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.356 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.976 (180deg=-1.89!) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.839 F(o=-3,f=-0.84) USER MOD Single : A 16 GLN : amide:sc= -0.0515 X(o=-0.051,f=-0.26) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -61:sc= 0.419 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0235) USER MOD Single : A 28 GLN : amide:sc=-0.00734 K(o=-0.0073,f=-0.64) USER MOD Single : A 31 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -178:sc= -0.161 (180deg=-0.175) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 45 SER OG : rot 76:sc= -0.267! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -4.24! C(o=-4.2!,f=-5.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.53) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 138:sc= -1.99! USER MOD Single : A 70 ASN : amide:sc= -4.54! C(o=-4.5!,f=-15!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0568 (180deg=-0.0568) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-2.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 170:sc= -1.67 USER MOD Single : A 89 ASN :FLIP amide:sc= -2.6! C(o=-4.2!,f=-2.6!) USER MOD Single : A 96 THR OG1 : rot 91:sc= 0.0813 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 37:sc= 0.722 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 106 MET CE :methyl -151:sc= -0.018 (180deg=-1.04) USER MOD Single : A 110 SER OG : rot 180:sc= -0.118 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 13:sc= 0.107! USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.261 -28.658 -2.257 1.00 0.00 N ATOM 2 CA SER A 1 7.728 -28.519 -0.877 1.00 0.00 C ATOM 3 C SER A 1 8.849 -28.257 0.124 1.00 0.00 C ATOM 4 O SER A 1 9.798 -29.035 0.226 1.00 0.00 O ATOM 5 CB SER A 1 6.984 -29.805 -0.511 1.00 0.00 C ATOM 6 OG SER A 1 5.990 -29.559 0.468 1.00 0.00 O ATOM 0 H1 SER A 1 7.476 -28.835 -2.916 1.00 0.00 H new ATOM 0 H2 SER A 1 8.751 -27.782 -2.530 1.00 0.00 H new ATOM 0 H3 SER A 1 8.930 -29.454 -2.292 1.00 0.00 H new ATOM 0 HA SER A 1 7.049 -27.667 -0.840 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.523 -30.228 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.692 -30.544 -0.137 1.00 0.00 H new ATOM 0 HG SER A 1 5.528 -30.396 0.683 1.00 0.00 H new ATOM 14 N GLY A 2 8.732 -27.157 0.861 1.00 0.00 N ATOM 15 CA GLY A 2 9.743 -26.812 1.844 1.00 0.00 C ATOM 16 C GLY A 2 9.629 -25.375 2.316 1.00 0.00 C ATOM 17 O GLY A 2 9.761 -24.444 1.523 1.00 0.00 O ATOM 0 H GLY A 2 7.956 -26.499 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.655 -27.480 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.732 -26.973 1.415 1.00 0.00 H new ATOM 21 N PHE A 3 9.384 -25.201 3.613 1.00 0.00 N ATOM 22 CA PHE A 3 9.252 -23.871 4.202 1.00 0.00 C ATOM 23 C PHE A 3 8.109 -23.092 3.555 1.00 0.00 C ATOM 24 O PHE A 3 6.969 -23.148 4.017 1.00 0.00 O ATOM 25 CB PHE A 3 10.563 -23.095 4.067 1.00 0.00 C ATOM 26 CG PHE A 3 11.622 -23.529 5.039 1.00 0.00 C ATOM 27 CD1 PHE A 3 11.646 -23.026 6.329 1.00 0.00 C ATOM 28 CD2 PHE A 3 12.594 -24.443 4.662 1.00 0.00 C ATOM 29 CE1 PHE A 3 12.619 -23.424 7.226 1.00 0.00 C ATOM 30 CE2 PHE A 3 13.570 -24.845 5.555 1.00 0.00 C ATOM 31 CZ PHE A 3 13.583 -24.336 6.838 1.00 0.00 C ATOM 0 H PHE A 3 9.273 -25.967 4.277 1.00 0.00 H new ATOM 0 HA PHE A 3 9.022 -23.995 5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.943 -23.214 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.363 -22.033 4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.895 -22.314 6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.589 -24.845 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.626 -23.023 8.229 1.00 0.00 H new ATOM 0 HE2 PHE A 3 14.322 -25.557 5.249 1.00 0.00 H new ATOM 0 HZ PHE A 3 14.344 -24.649 7.537 1.00 0.00 H new ATOM 41 N VAL A 4 8.422 -22.363 2.487 1.00 0.00 N ATOM 42 CA VAL A 4 7.421 -21.570 1.781 1.00 0.00 C ATOM 43 C VAL A 4 6.300 -22.451 1.239 1.00 0.00 C ATOM 44 O VAL A 4 6.501 -23.638 0.979 1.00 0.00 O ATOM 45 CB VAL A 4 8.049 -20.785 0.614 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.926 -19.657 1.138 1.00 0.00 C ATOM 47 CG2 VAL A 4 8.845 -21.713 -0.291 1.00 0.00 C ATOM 0 H VAL A 4 9.361 -22.305 2.092 1.00 0.00 H new ATOM 0 HA VAL A 4 7.008 -20.867 2.505 1.00 0.00 H new ATOM 0 HB VAL A 4 7.245 -20.345 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.361 -19.114 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.323 -18.975 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.724 -20.072 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.280 -21.139 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.641 -22.187 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.185 -22.480 -0.697 1.00 0.00 H new ATOM 57 N CYS A 5 5.120 -21.861 1.071 1.00 0.00 N ATOM 58 CA CYS A 5 3.966 -22.589 0.559 1.00 0.00 C ATOM 59 C CYS A 5 3.397 -21.905 -0.680 1.00 0.00 C ATOM 60 O CYS A 5 2.514 -22.448 -1.346 1.00 0.00 O ATOM 61 CB CYS A 5 2.885 -22.700 1.637 1.00 0.00 C ATOM 62 SG CYS A 5 2.526 -21.134 2.496 1.00 0.00 S ATOM 0 H CYS A 5 4.939 -20.880 1.283 1.00 0.00 H new ATOM 0 HA CYS A 5 4.295 -23.590 0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.967 -23.069 1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.195 -23.442 2.372 1.00 0.00 H new ATOM 67 N ASN A 6 3.903 -20.708 -0.971 1.00 0.00 N ATOM 68 CA ASN A 6 3.452 -19.928 -2.120 1.00 0.00 C ATOM 69 C ASN A 6 2.072 -19.352 -1.850 1.00 0.00 C ATOM 70 O ASN A 6 1.089 -19.736 -2.485 1.00 0.00 O ATOM 71 CB ASN A 6 3.436 -20.781 -3.392 1.00 0.00 C ATOM 72 CG ASN A 6 4.523 -20.379 -4.371 1.00 0.00 C ATOM 73 OD1 ASN A 6 4.499 -19.281 -4.926 1.00 0.00 O ATOM 74 ND2 ASN A 6 5.482 -21.272 -4.589 1.00 0.00 N ATOM 0 H ASN A 6 4.632 -20.255 -0.421 1.00 0.00 H new ATOM 0 HA ASN A 6 4.154 -19.108 -2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.562 -21.830 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.463 -20.690 -3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.239 -21.059 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.462 -22.170 -4.106 1.00 0.00 H new ATOM 81 N THR A 7 2.007 -18.435 -0.892 1.00 0.00 N ATOM 82 CA THR A 7 0.748 -17.810 -0.520 1.00 0.00 C ATOM 83 C THR A 7 0.342 -16.737 -1.526 1.00 0.00 C ATOM 84 O THR A 7 -0.546 -15.928 -1.255 1.00 0.00 O ATOM 85 CB THR A 7 0.856 -17.194 0.877 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.429 -16.902 1.396 1.00 0.00 O ATOM 87 CG2 THR A 7 1.666 -15.914 0.908 1.00 0.00 C ATOM 0 H THR A 7 2.814 -18.109 -0.359 1.00 0.00 H new ATOM 0 HA THR A 7 -0.020 -18.584 -0.517 1.00 0.00 H new ATOM 0 HB THR A 7 1.367 -17.942 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.967 -16.460 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.702 -15.531 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.679 -16.116 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.200 -15.173 0.258 1.00 0.00 H new ATOM 95 N CYS A 8 1.001 -16.724 -2.679 1.00 0.00 N ATOM 96 CA CYS A 8 0.705 -15.734 -3.708 1.00 0.00 C ATOM 97 C CYS A 8 0.117 -16.380 -4.960 1.00 0.00 C ATOM 98 O CYS A 8 0.841 -16.701 -5.904 1.00 0.00 O ATOM 99 CB CYS A 8 1.969 -14.949 -4.062 1.00 0.00 C ATOM 100 SG CYS A 8 3.094 -14.687 -2.651 1.00 0.00 S ATOM 0 H CYS A 8 1.740 -17.383 -2.924 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.043 -15.050 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.506 -15.479 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.681 -13.980 -4.470 1.00 0.00 H new ATOM 105 N PRO A 9 -1.216 -16.576 -4.987 1.00 0.00 N ATOM 106 CA PRO A 9 -1.901 -17.181 -6.129 1.00 0.00 C ATOM 107 C PRO A 9 -2.073 -16.208 -7.293 1.00 0.00 C ATOM 108 O PRO A 9 -1.516 -16.412 -8.371 1.00 0.00 O ATOM 109 CB PRO A 9 -3.261 -17.575 -5.552 1.00 0.00 C ATOM 110 CG PRO A 9 -3.506 -16.597 -4.455 1.00 0.00 C ATOM 111 CD PRO A 9 -2.154 -16.223 -3.903 1.00 0.00 C ATOM 0 HA PRO A 9 -1.339 -18.017 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.042 -17.523 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.250 -18.598 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.029 -15.717 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.134 -17.034 -3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.102 -15.162 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.931 -16.771 -2.988 1.00 0.00 H new ATOM 119 N GLU A 10 -2.849 -15.152 -7.067 1.00 0.00 N ATOM 120 CA GLU A 10 -3.096 -14.148 -8.098 1.00 0.00 C ATOM 121 C GLU A 10 -2.909 -12.735 -7.552 1.00 0.00 C ATOM 122 O GLU A 10 -1.894 -12.089 -7.812 1.00 0.00 O ATOM 123 CB GLU A 10 -4.511 -14.301 -8.668 1.00 0.00 C ATOM 124 CG GLU A 10 -5.111 -15.683 -8.464 1.00 0.00 C ATOM 125 CD GLU A 10 -5.306 -16.431 -9.768 1.00 0.00 C ATOM 126 OE1 GLU A 10 -4.314 -16.608 -10.506 1.00 0.00 O ATOM 127 OE2 GLU A 10 -6.451 -16.841 -10.052 1.00 0.00 O ATOM 0 H GLU A 10 -3.318 -14.969 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.369 -14.307 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.162 -13.561 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.488 -14.079 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.462 -16.264 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.071 -15.587 -7.957 1.00 0.00 H new ATOM 134 N LYS A 11 -3.897 -12.263 -6.797 1.00 0.00 N ATOM 135 CA LYS A 11 -3.850 -10.925 -6.213 1.00 0.00 C ATOM 136 C LYS A 11 -2.557 -10.715 -5.432 1.00 0.00 C ATOM 137 O LYS A 11 -1.975 -9.632 -5.450 1.00 0.00 O ATOM 138 CB LYS A 11 -5.053 -10.703 -5.295 1.00 0.00 C ATOM 139 CG LYS A 11 -6.378 -11.109 -5.919 1.00 0.00 C ATOM 140 CD LYS A 11 -7.544 -10.828 -4.986 1.00 0.00 C ATOM 141 CE LYS A 11 -8.154 -9.461 -5.251 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.159 -9.090 -4.217 1.00 0.00 N ATOM 0 H LYS A 11 -4.742 -12.789 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.883 -10.201 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.906 -11.268 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.099 -9.650 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.521 -10.568 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.355 -12.171 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.305 -11.598 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.204 -10.882 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.364 -8.710 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.626 -9.459 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.337 -8.066 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.046 -9.603 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.797 -9.341 -3.275 1.00 0.00 H new ATOM 156 N TRP A 12 -2.115 -11.765 -4.750 1.00 0.00 N ATOM 157 CA TRP A 12 -0.893 -11.714 -3.963 1.00 0.00 C ATOM 158 C TRP A 12 0.332 -11.674 -4.875 1.00 0.00 C ATOM 159 O TRP A 12 0.338 -12.281 -5.945 1.00 0.00 O ATOM 160 CB TRP A 12 -0.809 -12.924 -3.035 1.00 0.00 C ATOM 161 CG TRP A 12 -1.850 -12.936 -1.957 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.203 -12.857 -2.119 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.620 -13.036 -0.546 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.829 -12.901 -0.897 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.878 -13.011 0.084 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.472 -13.145 0.244 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.019 -13.091 1.468 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.614 -13.225 1.617 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.879 -13.198 2.216 1.00 0.00 C ATOM 0 H TRP A 12 -2.590 -12.667 -4.728 1.00 0.00 H new ATOM 0 HA TRP A 12 -0.912 -10.805 -3.361 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -0.905 -13.833 -3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.178 -12.948 -2.573 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.708 -12.772 -3.070 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.837 -12.859 -0.745 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.508 -13.166 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.993 -13.069 1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.266 -13.310 2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.956 -13.263 3.291 1.00 0.00 H new ATOM 180 N ILE A 13 1.364 -10.956 -4.446 1.00 0.00 N ATOM 181 CA ILE A 13 2.594 -10.840 -5.228 1.00 0.00 C ATOM 182 C ILE A 13 3.832 -11.013 -4.348 1.00 0.00 C ATOM 183 O ILE A 13 3.991 -10.320 -3.346 1.00 0.00 O ATOM 184 CB ILE A 13 2.683 -9.477 -5.943 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.334 -8.740 -5.891 1.00 0.00 C ATOM 186 CG2 ILE A 13 3.143 -9.669 -7.378 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.421 -9.021 -7.071 1.00 0.00 C ATOM 0 H ILE A 13 1.376 -10.446 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 13 2.564 -11.636 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 13 3.417 -8.860 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.817 -9.018 -4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.521 -7.667 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.202 -8.700 -7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.125 -10.141 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.432 -10.304 -7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.507 -8.462 -6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.915 -8.716 -7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.199 -10.087 -7.114 1.00 0.00 H new ATOM 199 N ASN A 14 4.711 -11.938 -4.733 1.00 0.00 N ATOM 200 CA ASN A 14 5.935 -12.203 -3.976 1.00 0.00 C ATOM 201 C ASN A 14 7.162 -11.643 -4.688 1.00 0.00 C ATOM 202 O ASN A 14 7.178 -11.511 -5.912 1.00 0.00 O ATOM 203 CB ASN A 14 6.107 -13.704 -3.742 1.00 0.00 C ATOM 204 CG ASN A 14 7.448 -14.045 -3.121 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.597 -13.751 -1.835 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 8.340 -14.568 -3.789 1.00 0.00 N flip ATOM 0 H ASN A 14 4.598 -12.517 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 14 5.842 -11.701 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.308 -14.061 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.005 -14.230 -4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.183 -14.777 -4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.236 -14.792 -3.357 1.00 0.00 H new ATOM 213 N PHE A 15 8.188 -11.308 -3.907 1.00 0.00 N ATOM 214 CA PHE A 15 9.420 -10.751 -4.455 1.00 0.00 C ATOM 215 C PHE A 15 10.643 -11.484 -3.904 1.00 0.00 C ATOM 216 O PHE A 15 10.715 -12.712 -3.961 1.00 0.00 O ATOM 217 CB PHE A 15 9.506 -9.257 -4.138 1.00 0.00 C ATOM 218 CG PHE A 15 8.197 -8.537 -4.280 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.334 -8.431 -3.203 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.828 -7.970 -5.489 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.127 -7.773 -3.326 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.621 -7.310 -5.620 1.00 0.00 C ATOM 223 CZ PHE A 15 5.769 -7.211 -4.537 1.00 0.00 C ATOM 0 H PHE A 15 8.189 -11.413 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 15 9.406 -10.883 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.872 -9.131 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.239 -8.795 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.609 -8.869 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.491 -8.045 -6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.463 -7.697 -2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.344 -6.872 -6.568 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.825 -6.696 -4.636 1.00 0.00 H new ATOM 233 N GLN A 16 11.605 -10.727 -3.375 1.00 0.00 N ATOM 234 CA GLN A 16 12.821 -11.309 -2.818 1.00 0.00 C ATOM 235 C GLN A 16 12.493 -12.417 -1.825 1.00 0.00 C ATOM 236 O GLN A 16 13.093 -13.491 -1.859 1.00 0.00 O ATOM 237 CB GLN A 16 13.663 -10.229 -2.135 1.00 0.00 C ATOM 238 CG GLN A 16 12.850 -9.285 -1.263 1.00 0.00 C ATOM 239 CD GLN A 16 13.131 -7.826 -1.566 1.00 0.00 C ATOM 240 OE1 GLN A 16 13.177 -7.419 -2.727 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.318 -7.030 -0.520 1.00 0.00 N ATOM 0 H GLN A 16 11.563 -9.709 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 16 13.393 -11.742 -3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.427 -10.708 -1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.183 -9.649 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.788 -9.485 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.071 -9.484 -0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.271 -7.410 0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.509 -6.038 -0.662 1.00 0.00 H new ATOM 250 N ARG A 17 11.533 -12.153 -0.942 1.00 0.00 N ATOM 251 CA ARG A 17 11.130 -13.139 0.055 1.00 0.00 C ATOM 252 C ARG A 17 9.796 -12.770 0.695 1.00 0.00 C ATOM 253 O ARG A 17 9.271 -13.514 1.523 1.00 0.00 O ATOM 254 CB ARG A 17 12.206 -13.280 1.133 1.00 0.00 C ATOM 255 CG ARG A 17 12.721 -11.948 1.655 1.00 0.00 C ATOM 256 CD ARG A 17 12.875 -11.966 3.167 1.00 0.00 C ATOM 257 NE ARG A 17 13.570 -10.780 3.660 1.00 0.00 N ATOM 258 CZ ARG A 17 13.684 -10.474 4.949 1.00 0.00 C ATOM 259 NH1 ARG A 17 13.148 -11.263 5.871 1.00 0.00 N ATOM 260 NH2 ARG A 17 14.333 -9.377 5.317 1.00 0.00 N ATOM 0 H ARG A 17 11.023 -11.271 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 17 11.009 -14.094 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.801 -13.855 1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.042 -13.850 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.682 -11.721 1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.033 -11.153 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.891 -12.029 3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.425 -12.859 3.465 1.00 0.00 H new ATOM 0 HE ARG A 17 13.992 -10.151 2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.647 -12.107 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.237 -11.026 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.745 -8.767 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.420 -9.143 6.306 1.00 0.00 H new ATOM 274 N LYS A 18 9.247 -11.627 0.302 1.00 0.00 N ATOM 275 CA LYS A 18 7.974 -11.176 0.834 1.00 0.00 C ATOM 276 C LYS A 18 6.910 -11.177 -0.241 1.00 0.00 C ATOM 277 O LYS A 18 7.199 -11.118 -1.432 1.00 0.00 O ATOM 278 CB LYS A 18 8.076 -9.775 1.420 1.00 0.00 C ATOM 279 CG LYS A 18 8.331 -8.703 0.379 1.00 0.00 C ATOM 280 CD LYS A 18 9.630 -7.968 0.651 1.00 0.00 C ATOM 281 CE LYS A 18 9.377 -6.614 1.293 1.00 0.00 C ATOM 282 NZ LYS A 18 9.160 -5.549 0.275 1.00 0.00 N ATOM 0 H LYS A 18 9.666 -10.998 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 18 7.699 -11.873 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.152 -9.543 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.880 -9.755 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.368 -9.156 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.503 -7.994 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.261 -8.570 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.176 -7.833 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.505 -6.678 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.225 -6.347 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.504 -4.640 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.680 -5.788 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.145 -5.474 0.062 1.00 0.00 H new ATOM 296 N CYS A 19 5.680 -11.224 0.207 1.00 0.00 N ATOM 297 CA CYS A 19 4.536 -11.216 -0.677 1.00 0.00 C ATOM 298 C CYS A 19 3.612 -10.067 -0.308 1.00 0.00 C ATOM 299 O CYS A 19 3.752 -9.465 0.755 1.00 0.00 O ATOM 300 CB CYS A 19 3.789 -12.551 -0.608 1.00 0.00 C ATOM 301 SG CYS A 19 2.622 -12.829 -1.982 1.00 0.00 S ATOM 0 H CYS A 19 5.441 -11.269 1.198 1.00 0.00 H new ATOM 0 HA CYS A 19 4.883 -11.078 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.518 -13.362 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.242 -12.600 0.334 1.00 0.00 H new ATOM 306 N TYR A 20 2.677 -9.765 -1.188 1.00 0.00 N ATOM 307 CA TYR A 20 1.735 -8.683 -0.957 1.00 0.00 C ATOM 308 C TYR A 20 0.317 -9.206 -1.048 1.00 0.00 C ATOM 309 O TYR A 20 -0.025 -9.927 -1.980 1.00 0.00 O ATOM 310 CB TYR A 20 1.912 -7.570 -2.000 1.00 0.00 C ATOM 311 CG TYR A 20 3.035 -6.592 -1.722 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.039 -6.871 -0.803 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.080 -5.376 -2.393 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.055 -5.965 -0.562 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.090 -4.466 -2.158 1.00 0.00 C ATOM 316 CZ TYR A 20 5.076 -4.764 -1.240 1.00 0.00 C ATOM 317 OH TYR A 20 6.086 -3.860 -1.003 1.00 0.00 O ATOM 0 H TYR A 20 2.548 -10.255 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 20 1.926 -8.279 0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.087 -8.031 -2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.978 -7.013 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.026 -7.810 -0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.310 -5.139 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.829 -6.197 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.109 -3.526 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 20 6.763 -3.934 -1.707 1.00 0.00 H new ATOM 327 N TYR A 21 -0.509 -8.825 -0.094 1.00 0.00 N ATOM 328 CA TYR A 21 -1.893 -9.242 -0.092 1.00 0.00 C ATOM 329 C TYR A 21 -2.728 -8.124 -0.693 1.00 0.00 C ATOM 330 O TYR A 21 -2.878 -7.053 -0.107 1.00 0.00 O ATOM 331 CB TYR A 21 -2.342 -9.560 1.338 1.00 0.00 C ATOM 332 CG TYR A 21 -3.841 -9.589 1.531 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.680 -10.141 0.571 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.414 -9.068 2.681 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.046 -10.168 0.751 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.779 -9.093 2.872 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.594 -9.643 1.904 1.00 0.00 C ATOM 338 OH TYR A 21 -7.957 -9.669 2.089 1.00 0.00 O ATOM 0 H TYR A 21 -0.244 -8.227 0.689 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.020 -10.147 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.932 -10.528 1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.915 -8.818 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.255 -10.556 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.780 -8.635 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.685 -10.598 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.208 -8.684 3.775 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.178 -9.261 2.952 1.00 0.00 H new ATOM 348 N PHE A 22 -3.235 -8.376 -1.888 1.00 0.00 N ATOM 349 CA PHE A 22 -4.017 -7.398 -2.614 1.00 0.00 C ATOM 350 C PHE A 22 -5.510 -7.694 -2.514 1.00 0.00 C ATOM 351 O PHE A 22 -5.953 -8.809 -2.795 1.00 0.00 O ATOM 352 CB PHE A 22 -3.568 -7.400 -4.080 1.00 0.00 C ATOM 353 CG PHE A 22 -2.244 -6.714 -4.328 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.485 -6.222 -3.276 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.760 -6.567 -5.619 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.274 -5.597 -3.508 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.548 -5.941 -5.857 1.00 0.00 C ATOM 358 CZ PHE A 22 0.196 -5.456 -4.798 1.00 0.00 C ATOM 0 H PHE A 22 -3.115 -9.262 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.852 -6.414 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.499 -8.432 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.334 -6.913 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.845 -6.329 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.336 -6.946 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.305 -5.219 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.185 -5.832 -6.868 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.142 -4.968 -4.979 1.00 0.00 H new ATOM 368 N GLY A 23 -6.280 -6.687 -2.113 1.00 0.00 N ATOM 369 CA GLY A 23 -7.715 -6.855 -1.981 1.00 0.00 C ATOM 370 C GLY A 23 -8.479 -5.585 -2.303 1.00 0.00 C ATOM 371 O GLY A 23 -7.883 -4.572 -2.670 1.00 0.00 O ATOM 0 H GLY A 23 -5.935 -5.757 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.047 -7.653 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.949 -7.168 -0.964 1.00 0.00 H new ATOM 375 N LYS A 24 -9.800 -5.641 -2.164 1.00 0.00 N ATOM 376 CA LYS A 24 -10.646 -4.488 -2.441 1.00 0.00 C ATOM 377 C LYS A 24 -11.326 -3.997 -1.168 1.00 0.00 C ATOM 378 O LYS A 24 -11.431 -4.731 -0.185 1.00 0.00 O ATOM 379 CB LYS A 24 -11.701 -4.840 -3.490 1.00 0.00 C ATOM 380 CG LYS A 24 -11.139 -4.985 -4.894 1.00 0.00 C ATOM 381 CD LYS A 24 -12.062 -5.803 -5.783 1.00 0.00 C ATOM 382 CE LYS A 24 -11.302 -6.459 -6.924 1.00 0.00 C ATOM 383 NZ LYS A 24 -10.861 -5.464 -7.941 1.00 0.00 N ATOM 0 H LYS A 24 -10.307 -6.473 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.012 -3.690 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.188 -5.773 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.470 -4.067 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.992 -3.998 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.160 -5.462 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.557 -6.569 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.843 -5.159 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.432 -6.983 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.936 -7.208 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.346 -5.951 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.692 -4.982 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.236 -4.764 -7.493 1.00 0.00 H new ATOM 397 N GLY A 25 -11.790 -2.751 -1.194 1.00 0.00 N ATOM 398 CA GLY A 25 -12.456 -2.185 -0.036 1.00 0.00 C ATOM 399 C GLY A 25 -13.003 -0.795 -0.298 1.00 0.00 C ATOM 400 O GLY A 25 -13.166 -0.392 -1.450 1.00 0.00 O ATOM 0 H GLY A 25 -11.716 -2.124 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.272 -2.841 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.755 -2.144 0.798 1.00 0.00 H new ATOM 404 N THR A 26 -13.285 -0.062 0.775 1.00 0.00 N ATOM 405 CA THR A 26 -13.816 1.292 0.664 1.00 0.00 C ATOM 406 C THR A 26 -13.798 1.994 2.019 1.00 0.00 C ATOM 407 O THR A 26 -14.809 2.044 2.720 1.00 0.00 O ATOM 408 CB THR A 26 -15.243 1.261 0.106 1.00 0.00 C ATOM 409 OG1 THR A 26 -15.894 2.500 0.323 1.00 0.00 O ATOM 410 CG2 THR A 26 -16.104 0.176 0.718 1.00 0.00 C ATOM 0 H THR A 26 -13.154 -0.385 1.734 1.00 0.00 H new ATOM 0 HA THR A 26 -13.180 1.851 -0.023 1.00 0.00 H new ATOM 0 HB THR A 26 -15.131 1.055 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.957 2.672 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 26 -17.101 0.211 0.278 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.655 -0.798 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.177 0.333 1.794 1.00 0.00 H new ATOM 418 N LYS A 27 -12.638 2.532 2.385 1.00 0.00 N ATOM 419 CA LYS A 27 -12.484 3.228 3.658 1.00 0.00 C ATOM 420 C LYS A 27 -11.364 4.266 3.578 1.00 0.00 C ATOM 421 O LYS A 27 -11.225 4.961 2.571 1.00 0.00 O ATOM 422 CB LYS A 27 -12.201 2.222 4.776 1.00 0.00 C ATOM 423 CG LYS A 27 -13.450 1.758 5.507 1.00 0.00 C ATOM 424 CD LYS A 27 -14.022 2.857 6.388 1.00 0.00 C ATOM 425 CE LYS A 27 -15.145 2.336 7.272 1.00 0.00 C ATOM 426 NZ LYS A 27 -16.313 1.877 6.472 1.00 0.00 N ATOM 0 H LYS A 27 -11.791 2.499 1.818 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.414 3.750 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.694 1.355 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.516 2.673 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.201 1.444 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.213 0.887 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.231 3.274 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.396 3.668 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.775 1.511 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.461 3.122 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.076 1.577 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.651 2.656 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.030 1.076 5.872 1.00 0.00 H new ATOM 440 N GLN A 28 -10.568 4.371 4.641 1.00 0.00 N ATOM 441 CA GLN A 28 -9.466 5.327 4.680 1.00 0.00 C ATOM 442 C GLN A 28 -8.130 4.611 4.860 1.00 0.00 C ATOM 443 O GLN A 28 -8.076 3.382 4.906 1.00 0.00 O ATOM 444 CB GLN A 28 -9.676 6.332 5.813 1.00 0.00 C ATOM 445 CG GLN A 28 -11.086 6.897 5.873 1.00 0.00 C ATOM 446 CD GLN A 28 -11.348 7.677 7.146 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.910 7.287 8.228 1.00 0.00 O ATOM 448 NE2 GLN A 28 -12.068 8.785 7.024 1.00 0.00 N ATOM 0 H GLN A 28 -10.666 3.806 5.485 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.446 5.860 3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.447 5.849 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.969 7.153 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.250 7.546 5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.804 6.080 5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.411 9.072 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.278 9.350 7.847 1.00 0.00 H new ATOM 457 N TRP A 29 -7.055 5.389 4.959 1.00 0.00 N ATOM 458 CA TRP A 29 -5.719 4.828 5.133 1.00 0.00 C ATOM 459 C TRP A 29 -5.596 4.118 6.475 1.00 0.00 C ATOM 460 O TRP A 29 -5.129 2.982 6.548 1.00 0.00 O ATOM 461 CB TRP A 29 -4.662 5.930 5.027 1.00 0.00 C ATOM 462 CG TRP A 29 -3.276 5.454 5.341 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.392 4.876 4.477 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.617 5.512 6.612 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.224 4.571 5.131 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.337 4.952 6.442 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.983 5.982 7.875 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.423 4.851 7.489 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.076 5.881 8.913 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.808 5.321 8.714 1.00 0.00 C ATOM 0 H TRP A 29 -7.083 6.408 4.922 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.554 4.098 4.341 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.677 6.343 4.018 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.923 6.741 5.707 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.583 4.686 3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.405 4.132 4.709 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.958 6.417 8.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.554 4.417 7.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.350 6.240 9.894 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.120 5.259 9.545 1.00 0.00 H new ATOM 481 N VAL A 30 -6.021 4.798 7.532 1.00 0.00 N ATOM 482 CA VAL A 30 -5.964 4.238 8.876 1.00 0.00 C ATOM 483 C VAL A 30 -6.686 2.899 8.937 1.00 0.00 C ATOM 484 O VAL A 30 -6.321 2.019 9.716 1.00 0.00 O ATOM 485 CB VAL A 30 -6.581 5.194 9.914 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.651 6.366 10.180 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.944 5.681 9.447 1.00 0.00 C ATOM 0 H VAL A 30 -6.410 5.740 7.484 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.911 4.093 9.116 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.716 4.648 10.848 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.104 7.030 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.700 5.996 10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.481 6.913 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.365 6.355 10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.837 6.209 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.609 4.828 9.313 1.00 0.00 H new ATOM 497 N HIS A 31 -7.713 2.752 8.112 1.00 0.00 N ATOM 498 CA HIS A 31 -8.481 1.518 8.074 1.00 0.00 C ATOM 499 C HIS A 31 -7.677 0.404 7.415 1.00 0.00 C ATOM 500 O HIS A 31 -7.816 -0.766 7.773 1.00 0.00 O ATOM 501 CB HIS A 31 -9.801 1.730 7.333 1.00 0.00 C ATOM 502 CG HIS A 31 -10.860 2.372 8.176 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.001 3.738 8.296 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.833 1.825 8.944 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.013 4.005 9.103 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.535 2.862 9.509 1.00 0.00 N ATOM 0 H HIS A 31 -8.032 3.470 7.462 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.702 1.223 9.100 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.621 2.350 6.455 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.166 0.768 6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.021 0.771 9.086 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.355 4.990 9.383 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.331 2.765 10.140 1.00 0.00 H new ATOM 515 N ALA A 32 -6.833 0.771 6.454 1.00 0.00 N ATOM 516 CA ALA A 32 -6.010 -0.210 5.759 1.00 0.00 C ATOM 517 C ALA A 32 -4.923 -0.744 6.678 1.00 0.00 C ATOM 518 O ALA A 32 -4.729 -1.953 6.789 1.00 0.00 O ATOM 519 CB ALA A 32 -5.394 0.405 4.512 1.00 0.00 C ATOM 0 H ALA A 32 -6.703 1.733 6.142 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.646 -1.043 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.782 -0.340 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.186 0.742 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.772 1.254 4.794 1.00 0.00 H new ATOM 525 N ARG A 33 -4.221 0.166 7.344 1.00 0.00 N ATOM 526 CA ARG A 33 -3.158 -0.215 8.262 1.00 0.00 C ATOM 527 C ARG A 33 -3.695 -1.090 9.387 1.00 0.00 C ATOM 528 O ARG A 33 -3.051 -2.059 9.791 1.00 0.00 O ATOM 529 CB ARG A 33 -2.472 1.025 8.841 1.00 0.00 C ATOM 530 CG ARG A 33 -3.425 1.993 9.519 1.00 0.00 C ATOM 531 CD ARG A 33 -3.345 1.887 11.033 1.00 0.00 C ATOM 532 NE ARG A 33 -2.034 2.284 11.541 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.599 1.998 12.765 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.367 1.314 13.603 1.00 0.00 N ATOM 535 NH2 ARG A 33 -0.394 2.394 13.151 1.00 0.00 N ATOM 0 H ARG A 33 -4.370 1.172 7.264 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.423 -0.791 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.718 0.708 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.949 1.547 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.189 3.012 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.445 1.789 9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.113 2.517 11.482 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.556 0.862 11.336 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.417 2.810 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.294 1.006 13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.031 1.096 14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.200 2.919 12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.061 2.174 14.090 1.00 0.00 H new ATOM 549 N TYR A 34 -4.874 -0.746 9.889 1.00 0.00 N ATOM 550 CA TYR A 34 -5.492 -1.504 10.968 1.00 0.00 C ATOM 551 C TYR A 34 -6.006 -2.850 10.467 1.00 0.00 C ATOM 552 O TYR A 34 -5.986 -3.843 11.195 1.00 0.00 O ATOM 553 CB TYR A 34 -6.640 -0.707 11.590 1.00 0.00 C ATOM 554 CG TYR A 34 -6.644 -0.731 13.102 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.150 -1.822 13.797 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.142 0.339 13.834 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.155 -1.847 15.180 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.143 0.320 15.216 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.651 -0.774 15.884 1.00 0.00 C ATOM 560 OH TYR A 34 -6.656 -0.795 17.260 1.00 0.00 O ATOM 0 H TYR A 34 -5.421 0.052 9.566 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.732 -1.686 11.728 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.578 0.327 11.252 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.587 -1.106 11.226 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.546 -2.664 13.249 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.745 1.199 13.315 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.552 -2.703 15.706 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.748 1.158 15.770 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.265 0.036 17.601 1.00 0.00 H new ATOM 570 N ALA A 35 -6.470 -2.875 9.223 1.00 0.00 N ATOM 571 CA ALA A 35 -6.994 -4.098 8.628 1.00 0.00 C ATOM 572 C ALA A 35 -5.897 -5.135 8.429 1.00 0.00 C ATOM 573 O ALA A 35 -6.098 -6.321 8.686 1.00 0.00 O ATOM 574 CB ALA A 35 -7.682 -3.793 7.308 1.00 0.00 C ATOM 0 H ALA A 35 -6.494 -2.062 8.607 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.726 -4.517 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.068 -4.717 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.506 -3.100 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.966 -3.343 6.620 1.00 0.00 H new ATOM 580 N CYS A 36 -4.736 -4.681 7.975 1.00 0.00 N ATOM 581 CA CYS A 36 -3.611 -5.575 7.748 1.00 0.00 C ATOM 582 C CYS A 36 -2.916 -5.900 9.064 1.00 0.00 C ATOM 583 O CYS A 36 -2.266 -6.936 9.197 1.00 0.00 O ATOM 584 CB CYS A 36 -2.617 -4.947 6.768 1.00 0.00 C ATOM 585 SG CYS A 36 -3.396 -4.048 5.387 1.00 0.00 S ATOM 0 H CYS A 36 -4.550 -3.702 7.758 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.990 -6.501 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.970 -4.261 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.979 -5.732 6.362 1.00 0.00 H new ATOM 590 N ASP A 37 -3.065 -5.004 10.036 1.00 0.00 N ATOM 591 CA ASP A 37 -2.458 -5.189 11.349 1.00 0.00 C ATOM 592 C ASP A 37 -3.217 -6.233 12.162 1.00 0.00 C ATOM 593 O ASP A 37 -2.678 -6.807 13.108 1.00 0.00 O ATOM 594 CB ASP A 37 -2.422 -3.864 12.111 1.00 0.00 C ATOM 595 CG ASP A 37 -1.448 -3.890 13.272 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.225 -3.893 13.022 1.00 0.00 O ATOM 597 OD2 ASP A 37 -1.908 -3.910 14.432 1.00 0.00 O ATOM 0 H ASP A 37 -3.602 -4.142 9.938 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.438 -5.543 11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.145 -3.062 11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.421 -3.635 12.483 1.00 0.00 H new ATOM 602 N ASP A 38 -4.473 -6.466 11.791 1.00 0.00 N ATOM 603 CA ASP A 38 -5.313 -7.432 12.492 1.00 0.00 C ATOM 604 C ASP A 38 -4.686 -8.822 12.485 1.00 0.00 C ATOM 605 O ASP A 38 -4.749 -9.542 13.482 1.00 0.00 O ATOM 606 CB ASP A 38 -6.702 -7.485 11.854 1.00 0.00 C ATOM 607 CG ASP A 38 -7.649 -6.458 12.443 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.818 -6.448 13.681 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.221 -5.663 11.667 1.00 0.00 O ATOM 0 H ASP A 38 -4.931 -5.999 11.009 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.403 -7.105 13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.612 -7.319 10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.122 -8.482 11.988 1.00 0.00 H new ATOM 614 N MET A 39 -4.083 -9.193 11.359 1.00 0.00 N ATOM 615 CA MET A 39 -3.445 -10.502 11.226 1.00 0.00 C ATOM 616 C MET A 39 -2.810 -10.677 9.848 1.00 0.00 C ATOM 617 O MET A 39 -1.865 -11.449 9.691 1.00 0.00 O ATOM 618 CB MET A 39 -4.464 -11.618 11.466 1.00 0.00 C ATOM 619 CG MET A 39 -5.701 -11.513 10.589 1.00 0.00 C ATOM 620 SD MET A 39 -7.110 -12.413 11.264 1.00 0.00 S ATOM 621 CE MET A 39 -8.008 -11.086 12.064 1.00 0.00 C ATOM 0 H MET A 39 -4.022 -8.608 10.526 1.00 0.00 H new ATOM 0 HA MET A 39 -2.657 -10.561 11.977 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.984 -12.581 11.289 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.769 -11.601 12.512 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.969 -10.463 10.470 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.471 -11.898 9.596 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.890 -11.491 12.560 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.366 -10.605 12.802 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.316 -10.353 11.318 1.00 0.00 H new ATOM 631 N GLU A 40 -3.343 -9.965 8.856 1.00 0.00 N ATOM 632 CA GLU A 40 -2.840 -10.044 7.487 1.00 0.00 C ATOM 633 C GLU A 40 -1.314 -9.974 7.445 1.00 0.00 C ATOM 634 O GLU A 40 -0.636 -10.998 7.536 1.00 0.00 O ATOM 635 CB GLU A 40 -3.443 -8.923 6.640 1.00 0.00 C ATOM 636 CG GLU A 40 -4.840 -9.231 6.125 1.00 0.00 C ATOM 637 CD GLU A 40 -5.776 -9.713 7.217 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.977 -8.968 8.199 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.307 -10.836 7.090 1.00 0.00 O ATOM 0 H GLU A 40 -4.127 -9.324 8.977 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.140 -11.008 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.477 -8.009 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.787 -8.728 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.258 -8.336 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.776 -9.991 5.346 1.00 0.00 H new ATOM 646 N GLY A 41 -0.776 -8.765 7.299 1.00 0.00 N ATOM 647 CA GLY A 41 0.670 -8.608 7.245 1.00 0.00 C ATOM 648 C GLY A 41 1.152 -7.276 7.786 1.00 0.00 C ATOM 649 O GLY A 41 1.340 -7.114 8.992 1.00 0.00 O ATOM 0 H GLY A 41 -1.308 -7.899 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.137 -9.413 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.001 -8.713 6.212 1.00 0.00 H new ATOM 653 N GLN A 42 1.379 -6.336 6.881 1.00 0.00 N ATOM 654 CA GLN A 42 1.875 -5.015 7.226 1.00 0.00 C ATOM 655 C GLN A 42 1.420 -4.045 6.164 1.00 0.00 C ATOM 656 O GLN A 42 1.057 -4.463 5.073 1.00 0.00 O ATOM 657 CB GLN A 42 3.402 -5.018 7.291 1.00 0.00 C ATOM 658 CG GLN A 42 4.015 -3.628 7.351 1.00 0.00 C ATOM 659 CD GLN A 42 5.527 -3.649 7.267 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.192 -4.379 8.002 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.079 -2.845 6.365 1.00 0.00 N ATOM 0 H GLN A 42 1.223 -6.470 5.882 1.00 0.00 H new ATOM 0 HA GLN A 42 1.488 -4.723 8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.718 -5.583 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.793 -5.540 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.619 -3.026 6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.714 -3.143 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.489 -2.257 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.093 -2.816 6.261 1.00 0.00 H new ATOM 670 N LEU A 43 1.442 -2.757 6.438 1.00 0.00 N ATOM 671 CA LEU A 43 1.030 -1.847 5.409 1.00 0.00 C ATOM 672 C LEU A 43 2.157 -1.798 4.393 1.00 0.00 C ATOM 673 O LEU A 43 3.271 -1.359 4.678 1.00 0.00 O ATOM 674 CB LEU A 43 0.750 -0.459 5.993 1.00 0.00 C ATOM 675 CG LEU A 43 -0.401 0.315 5.342 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.683 -0.491 5.383 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.594 1.655 6.031 1.00 0.00 C ATOM 0 H LEU A 43 1.727 -2.338 7.323 1.00 0.00 H new ATOM 0 HA LEU A 43 0.104 -2.179 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.535 -0.569 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.658 0.139 5.912 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.145 0.494 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.486 0.079 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.541 -1.428 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.946 -0.705 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.415 2.193 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.826 1.493 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.321 2.242 5.947 1.00 0.00 H new ATOM 689 N VAL A 44 1.832 -2.318 3.221 1.00 0.00 N ATOM 690 CA VAL A 44 2.744 -2.443 2.094 1.00 0.00 C ATOM 691 C VAL A 44 3.924 -1.483 2.137 1.00 0.00 C ATOM 692 O VAL A 44 5.063 -1.897 2.357 1.00 0.00 O ATOM 693 CB VAL A 44 1.980 -2.268 0.777 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.732 -3.619 0.142 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.664 -1.543 1.018 1.00 0.00 C ATOM 0 H VAL A 44 0.898 -2.676 3.021 1.00 0.00 H new ATOM 0 HA VAL A 44 3.166 -3.446 2.162 1.00 0.00 H new ATOM 0 HB VAL A 44 2.582 -1.665 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.189 -3.487 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.686 -4.108 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.143 -4.237 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.134 -1.427 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.051 -2.122 1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.863 -0.560 1.445 1.00 0.00 H new ATOM 705 N SER A 45 3.652 -0.214 1.902 1.00 0.00 N ATOM 706 CA SER A 45 4.699 0.806 1.885 1.00 0.00 C ATOM 707 C SER A 45 5.662 0.538 0.736 1.00 0.00 C ATOM 708 O SER A 45 6.865 0.357 0.937 1.00 0.00 O ATOM 709 CB SER A 45 5.460 0.821 3.209 1.00 0.00 C ATOM 710 OG SER A 45 6.077 2.077 3.429 1.00 0.00 O ATOM 0 H SER A 45 2.714 0.142 1.719 1.00 0.00 H new ATOM 0 HA SER A 45 4.231 1.781 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.775 0.600 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.217 0.036 3.206 1.00 0.00 H new ATOM 0 HG SER A 45 5.401 2.728 3.712 1.00 0.00 H new ATOM 716 N ILE A 46 5.108 0.500 -0.467 1.00 0.00 N ATOM 717 CA ILE A 46 5.876 0.236 -1.681 1.00 0.00 C ATOM 718 C ILE A 46 7.129 1.102 -1.766 1.00 0.00 C ATOM 719 O ILE A 46 7.136 2.251 -1.321 1.00 0.00 O ATOM 720 CB ILE A 46 5.030 0.461 -2.952 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.666 1.058 -2.600 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.853 -0.844 -3.708 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.795 1.329 -3.805 1.00 0.00 C ATOM 0 H ILE A 46 4.113 0.651 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 46 6.172 -0.812 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 46 5.559 1.168 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.142 0.376 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.816 1.989 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.254 -0.668 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.830 -1.233 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.348 -1.569 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.844 1.751 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.298 2.035 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.614 0.397 -4.340 1.00 0.00 H new ATOM 735 N HIS A 47 8.186 0.536 -2.343 1.00 0.00 N ATOM 736 CA HIS A 47 9.452 1.244 -2.498 1.00 0.00 C ATOM 737 C HIS A 47 10.065 0.977 -3.871 1.00 0.00 C ATOM 738 O HIS A 47 11.141 1.485 -4.187 1.00 0.00 O ATOM 739 CB HIS A 47 10.431 0.824 -1.401 1.00 0.00 C ATOM 740 CG HIS A 47 10.379 -0.636 -1.076 1.00 0.00 C ATOM 741 ND1 HIS A 47 10.930 -1.703 -1.701 1.00 0.00 N flip ATOM 742 CD2 HIS A 47 9.693 -1.141 0.009 1.00 0.00 C flip ATOM 743 CE1 HIS A 47 10.572 -2.821 -0.988 1.00 0.00 C flip ATOM 744 NE2 HIS A 47 9.827 -2.456 0.039 1.00 0.00 N flip ATOM 0 H HIS A 47 8.190 -0.415 -2.712 1.00 0.00 H new ATOM 0 HA HIS A 47 9.253 2.312 -2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.443 1.082 -1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.219 1.396 -0.498 1.00 0.00 H new ATOM 0 HD1 HIS A 47 11.504 -1.681 -2.544 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.134 -0.554 0.722 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.854 -3.835 -1.229 1.00 0.00 H new ATOM 753 N SER A 48 9.376 0.181 -4.685 1.00 0.00 N ATOM 754 CA SER A 48 9.851 -0.145 -6.020 1.00 0.00 C ATOM 755 C SER A 48 8.809 0.239 -7.060 1.00 0.00 C ATOM 756 O SER A 48 7.663 -0.198 -6.986 1.00 0.00 O ATOM 757 CB SER A 48 10.170 -1.637 -6.124 1.00 0.00 C ATOM 758 OG SER A 48 11.449 -1.847 -6.698 1.00 0.00 O ATOM 0 H SER A 48 8.485 -0.250 -4.439 1.00 0.00 H new ATOM 0 HA SER A 48 10.763 0.422 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.134 -2.090 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.411 -2.133 -6.729 1.00 0.00 H new ATOM 0 HG SER A 48 11.630 -2.809 -6.752 1.00 0.00 H new ATOM 764 N PRO A 49 9.192 1.068 -8.047 1.00 0.00 N ATOM 765 CA PRO A 49 8.278 1.505 -9.102 1.00 0.00 C ATOM 766 C PRO A 49 7.481 0.341 -9.678 1.00 0.00 C ATOM 767 O PRO A 49 6.357 0.517 -10.150 1.00 0.00 O ATOM 768 CB PRO A 49 9.217 2.099 -10.152 1.00 0.00 C ATOM 769 CG PRO A 49 10.380 2.597 -9.365 1.00 0.00 C ATOM 770 CD PRO A 49 10.544 1.640 -8.215 1.00 0.00 C ATOM 0 HA PRO A 49 7.529 2.210 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.522 1.350 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.736 2.906 -10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.281 2.628 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.203 3.611 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.281 0.869 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.879 2.151 -7.312 1.00 0.00 H new ATOM 778 N GLU A 50 8.067 -0.851 -9.624 1.00 0.00 N ATOM 779 CA GLU A 50 7.411 -2.048 -10.125 1.00 0.00 C ATOM 780 C GLU A 50 6.294 -2.483 -9.191 1.00 0.00 C ATOM 781 O GLU A 50 5.184 -2.778 -9.630 1.00 0.00 O ATOM 782 CB GLU A 50 8.414 -3.187 -10.285 1.00 0.00 C ATOM 783 CG GLU A 50 7.770 -4.502 -10.681 1.00 0.00 C ATOM 784 CD GLU A 50 8.622 -5.703 -10.316 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.003 -5.823 -9.133 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.908 -6.522 -11.215 1.00 0.00 O ATOM 0 H GLU A 50 8.997 -1.011 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 50 6.985 -1.809 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.151 -2.910 -11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.953 -3.322 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.799 -4.588 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.588 -4.504 -11.756 1.00 0.00 H new ATOM 793 N GLU A 51 6.601 -2.530 -7.900 1.00 0.00 N ATOM 794 CA GLU A 51 5.626 -2.940 -6.904 1.00 0.00 C ATOM 795 C GLU A 51 4.475 -1.945 -6.843 1.00 0.00 C ATOM 796 O GLU A 51 3.312 -2.334 -6.763 1.00 0.00 O ATOM 797 CB GLU A 51 6.290 -3.078 -5.533 1.00 0.00 C ATOM 798 CG GLU A 51 7.561 -3.912 -5.553 1.00 0.00 C ATOM 799 CD GLU A 51 8.127 -4.143 -4.165 1.00 0.00 C ATOM 800 OE1 GLU A 51 7.453 -4.809 -3.352 1.00 0.00 O ATOM 801 OE2 GLU A 51 9.245 -3.656 -3.893 1.00 0.00 O ATOM 0 H GLU A 51 7.517 -2.289 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 51 5.225 -3.912 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.523 -2.085 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.581 -3.529 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.353 -4.874 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.309 -3.413 -6.168 1.00 0.00 H new ATOM 808 N GLN A 52 4.808 -0.658 -6.898 1.00 0.00 N ATOM 809 CA GLN A 52 3.797 0.390 -6.865 1.00 0.00 C ATOM 810 C GLN A 52 2.897 0.284 -8.087 1.00 0.00 C ATOM 811 O GLN A 52 1.679 0.406 -7.989 1.00 0.00 O ATOM 812 CB GLN A 52 4.459 1.776 -6.790 1.00 0.00 C ATOM 813 CG GLN A 52 4.848 2.364 -8.144 1.00 0.00 C ATOM 814 CD GLN A 52 3.691 3.002 -8.904 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.560 3.214 -8.237 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 3.817 3.305 -10.090 1.00 0.00 N flip ATOM 0 H GLN A 52 5.767 -0.319 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 52 3.185 0.261 -5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.777 2.464 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.352 1.706 -6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.625 3.113 -7.992 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.281 1.575 -8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.699 3.128 -10.571 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.039 3.733 -10.592 1.00 0.00 H new ATOM 825 N ASP A 53 3.511 0.033 -9.236 1.00 0.00 N ATOM 826 CA ASP A 53 2.778 -0.117 -10.479 1.00 0.00 C ATOM 827 C ASP A 53 1.939 -1.383 -10.426 1.00 0.00 C ATOM 828 O ASP A 53 0.843 -1.443 -10.979 1.00 0.00 O ATOM 829 CB ASP A 53 3.742 -0.173 -11.665 1.00 0.00 C ATOM 830 CG ASP A 53 3.040 0.040 -12.992 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.583 1.173 -13.246 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.947 -0.928 -13.776 1.00 0.00 O ATOM 0 H ASP A 53 4.521 -0.071 -9.329 1.00 0.00 H new ATOM 0 HA ASP A 53 2.122 0.744 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.513 0.587 -11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.246 -1.140 -11.675 1.00 0.00 H new ATOM 837 N PHE A 54 2.486 -2.399 -9.771 1.00 0.00 N ATOM 838 CA PHE A 54 1.833 -3.685 -9.645 1.00 0.00 C ATOM 839 C PHE A 54 0.495 -3.575 -8.922 1.00 0.00 C ATOM 840 O PHE A 54 -0.526 -4.057 -9.413 1.00 0.00 O ATOM 841 CB PHE A 54 2.757 -4.627 -8.877 1.00 0.00 C ATOM 842 CG PHE A 54 3.238 -5.794 -9.682 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.430 -6.898 -9.877 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.504 -5.785 -10.240 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.874 -7.977 -10.616 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.958 -6.857 -10.980 1.00 0.00 C ATOM 847 CZ PHE A 54 4.142 -7.957 -11.169 1.00 0.00 C ATOM 0 H PHE A 54 3.396 -2.349 -9.313 1.00 0.00 H new ATOM 0 HA PHE A 54 1.632 -4.071 -10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.619 -4.064 -8.521 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.232 -4.997 -7.996 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.440 -6.917 -9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.145 -4.928 -10.094 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.233 -8.834 -10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.948 -6.837 -11.411 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.494 -8.799 -11.747 1.00 0.00 H new ATOM 857 N LEU A 55 0.501 -2.936 -7.759 1.00 0.00 N ATOM 858 CA LEU A 55 -0.721 -2.763 -6.984 1.00 0.00 C ATOM 859 C LEU A 55 -1.618 -1.713 -7.615 1.00 0.00 C ATOM 860 O LEU A 55 -2.837 -1.872 -7.660 1.00 0.00 O ATOM 861 CB LEU A 55 -0.410 -2.382 -5.543 1.00 0.00 C ATOM 862 CG LEU A 55 0.794 -1.477 -5.364 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.358 -0.029 -5.418 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.492 -1.790 -4.053 1.00 0.00 C ATOM 0 H LEU A 55 1.334 -2.531 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.246 -3.718 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.283 -1.888 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.248 -3.294 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 55 1.503 -1.653 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.226 0.617 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.106 0.175 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.360 0.165 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.355 -1.135 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.800 -1.632 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.823 -2.829 -4.056 1.00 0.00 H new ATOM 876 N THR A 56 -1.007 -0.636 -8.097 1.00 0.00 N ATOM 877 CA THR A 56 -1.752 0.437 -8.725 1.00 0.00 C ATOM 878 C THR A 56 -2.507 -0.108 -9.929 1.00 0.00 C ATOM 879 O THR A 56 -3.655 0.262 -10.178 1.00 0.00 O ATOM 880 CB THR A 56 -0.805 1.574 -9.130 1.00 0.00 C ATOM 881 OG1 THR A 56 -1.121 2.763 -8.428 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.830 1.898 -10.605 1.00 0.00 C ATOM 0 H THR A 56 0.002 -0.488 -8.063 1.00 0.00 H new ATOM 0 HA THR A 56 -2.475 0.843 -8.018 1.00 0.00 H new ATOM 0 HB THR A 56 0.191 1.210 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.505 3.476 -8.699 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.134 2.711 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.537 1.017 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.837 2.200 -10.894 1.00 0.00 H new ATOM 890 N LYS A 57 -1.860 -1.016 -10.653 1.00 0.00 N ATOM 891 CA LYS A 57 -2.474 -1.646 -11.807 1.00 0.00 C ATOM 892 C LYS A 57 -3.507 -2.656 -11.335 1.00 0.00 C ATOM 893 O LYS A 57 -4.550 -2.840 -11.963 1.00 0.00 O ATOM 894 CB LYS A 57 -1.418 -2.335 -12.674 1.00 0.00 C ATOM 895 CG LYS A 57 -1.752 -2.336 -14.157 1.00 0.00 C ATOM 896 CD LYS A 57 -1.504 -0.974 -14.785 1.00 0.00 C ATOM 897 CE LYS A 57 -0.019 -0.715 -14.987 1.00 0.00 C ATOM 898 NZ LYS A 57 0.227 0.356 -15.992 1.00 0.00 N ATOM 0 H LYS A 57 -0.909 -1.329 -10.457 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.961 -0.882 -12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.459 -1.838 -12.527 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.299 -3.365 -12.337 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.149 -3.088 -14.666 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.796 -2.617 -14.296 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.018 -0.915 -15.744 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.927 -0.196 -14.149 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.432 -0.431 -14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.469 -1.635 -15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.251 0.502 -16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.181 0.075 -16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.217 1.241 -15.672 1.00 0.00 H new ATOM 912 N HIS A 58 -3.209 -3.299 -10.208 1.00 0.00 N ATOM 913 CA HIS A 58 -4.109 -4.283 -9.628 1.00 0.00 C ATOM 914 C HIS A 58 -5.387 -3.607 -9.144 1.00 0.00 C ATOM 915 O HIS A 58 -6.462 -4.209 -9.153 1.00 0.00 O ATOM 916 CB HIS A 58 -3.432 -5.006 -8.464 1.00 0.00 C ATOM 917 CG HIS A 58 -4.091 -6.304 -8.109 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.162 -6.393 -7.247 1.00 0.00 N ATOM 919 CD2 HIS A 58 -3.824 -7.571 -8.507 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.527 -7.657 -7.129 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.732 -8.392 -7.885 1.00 0.00 N ATOM 0 H HIS A 58 -2.348 -3.153 -9.680 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.362 -5.014 -10.396 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.389 -5.194 -8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.434 -4.355 -7.590 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.604 -5.605 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.043 -7.878 -9.187 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.338 -8.026 -6.518 1.00 0.00 H new ATOM 930 N ALA A 59 -5.261 -2.349 -8.723 1.00 0.00 N ATOM 931 CA ALA A 59 -6.406 -1.589 -8.236 1.00 0.00 C ATOM 932 C ALA A 59 -7.309 -1.161 -9.389 1.00 0.00 C ATOM 933 O ALA A 59 -6.941 -0.303 -10.192 1.00 0.00 O ATOM 934 CB ALA A 59 -5.937 -0.374 -7.451 1.00 0.00 C ATOM 0 H ALA A 59 -4.379 -1.838 -8.710 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.985 -2.233 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.802 0.184 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.338 -0.699 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.334 0.265 -8.096 1.00 0.00 H new ATOM 940 N SER A 60 -8.489 -1.766 -9.465 1.00 0.00 N ATOM 941 CA SER A 60 -9.445 -1.449 -10.521 1.00 0.00 C ATOM 942 C SER A 60 -10.381 -0.324 -10.092 1.00 0.00 C ATOM 943 O SER A 60 -10.875 0.436 -10.923 1.00 0.00 O ATOM 944 CB SER A 60 -10.257 -2.691 -10.892 1.00 0.00 C ATOM 945 OG SER A 60 -10.595 -2.687 -12.269 1.00 0.00 O ATOM 0 H SER A 60 -8.807 -2.479 -8.808 1.00 0.00 H new ATOM 0 HA SER A 60 -8.884 -1.115 -11.394 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.683 -3.588 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.166 -2.728 -10.291 1.00 0.00 H new ATOM 0 HG SER A 60 -11.112 -3.492 -12.481 1.00 0.00 H new ATOM 951 N HIS A 61 -10.622 -0.227 -8.788 1.00 0.00 N ATOM 952 CA HIS A 61 -11.500 0.804 -8.247 1.00 0.00 C ATOM 953 C HIS A 61 -10.901 2.192 -8.452 1.00 0.00 C ATOM 954 O HIS A 61 -11.409 2.988 -9.244 1.00 0.00 O ATOM 955 CB HIS A 61 -11.751 0.559 -6.758 1.00 0.00 C ATOM 956 CG HIS A 61 -13.037 -0.156 -6.478 1.00 0.00 C ATOM 957 ND1 HIS A 61 -13.789 -0.765 -7.461 1.00 0.00 N ATOM 958 CD2 HIS A 61 -13.703 -0.359 -5.317 1.00 0.00 C ATOM 959 CE1 HIS A 61 -14.862 -1.311 -6.916 1.00 0.00 C ATOM 960 NE2 HIS A 61 -14.833 -1.080 -5.617 1.00 0.00 N ATOM 0 H HIS A 61 -10.221 -0.850 -8.087 1.00 0.00 H new ATOM 0 HA HIS A 61 -12.449 0.755 -8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -10.925 -0.023 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -11.756 1.516 -6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -13.402 -0.018 -4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.632 -1.854 -7.444 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -15.536 -1.387 -4.945 1.00 0.00 H new ATOM 969 N THR A 62 -9.818 2.477 -7.736 1.00 0.00 N ATOM 970 CA THR A 62 -9.150 3.769 -7.838 1.00 0.00 C ATOM 971 C THR A 62 -7.665 3.640 -7.514 1.00 0.00 C ATOM 972 O THR A 62 -6.810 4.021 -8.314 1.00 0.00 O ATOM 973 CB THR A 62 -9.803 4.781 -6.896 1.00 0.00 C ATOM 974 OG1 THR A 62 -10.559 4.121 -5.897 1.00 0.00 O ATOM 975 CG2 THR A 62 -10.725 5.750 -7.605 1.00 0.00 C ATOM 0 H THR A 62 -9.384 1.829 -7.078 1.00 0.00 H new ATOM 0 HA THR A 62 -9.251 4.122 -8.864 1.00 0.00 H new ATOM 0 HB THR A 62 -8.978 5.343 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.967 4.785 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.155 6.440 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.160 6.311 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.525 5.197 -8.098 1.00 0.00 H new ATOM 983 N GLY A 63 -7.367 3.100 -6.336 1.00 0.00 N ATOM 984 CA GLY A 63 -5.985 2.930 -5.926 1.00 0.00 C ATOM 985 C GLY A 63 -5.840 1.967 -4.765 1.00 0.00 C ATOM 986 O GLY A 63 -6.799 1.299 -4.381 1.00 0.00 O ATOM 0 H GLY A 63 -8.058 2.777 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.401 2.566 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.571 3.898 -5.645 1.00 0.00 H new ATOM 990 N SER A 64 -4.637 1.899 -4.203 1.00 0.00 N ATOM 991 CA SER A 64 -4.361 1.011 -3.076 1.00 0.00 C ATOM 992 C SER A 64 -3.771 1.797 -1.910 1.00 0.00 C ATOM 993 O SER A 64 -3.297 2.918 -2.089 1.00 0.00 O ATOM 994 CB SER A 64 -3.400 -0.101 -3.498 1.00 0.00 C ATOM 995 OG SER A 64 -2.052 0.331 -3.419 1.00 0.00 O ATOM 0 H SER A 64 -3.835 2.449 -4.510 1.00 0.00 H new ATOM 0 HA SER A 64 -5.300 0.561 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.544 -0.972 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.626 -0.413 -4.518 1.00 0.00 H new ATOM 0 HG SER A 64 -1.502 -0.382 -3.032 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.790 1.207 -0.716 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.239 1.879 0.455 1.00 0.00 C ATOM 1003 C TRP A 65 -1.872 1.319 0.781 1.00 0.00 C ATOM 1004 O TRP A 65 -1.677 0.106 0.812 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.168 1.752 1.666 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.287 2.748 1.647 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.176 4.102 1.783 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.681 2.474 1.478 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.417 4.687 1.707 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.357 3.707 1.519 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.424 1.306 1.294 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.739 3.804 1.383 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.797 1.403 1.159 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.441 2.645 1.203 1.00 0.00 C ATOM 0 H TRP A 65 -4.175 0.280 -0.537 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.145 2.939 0.219 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.585 0.745 1.694 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.587 1.883 2.579 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.248 4.635 1.929 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.608 5.686 1.779 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.935 0.344 1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.239 4.761 1.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.382 0.506 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.514 2.688 1.092 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.927 2.214 1.001 1.00 0.00 N ATOM 1026 CA ILE A 66 0.435 1.824 1.300 1.00 0.00 C ATOM 1027 C ILE A 66 0.830 2.219 2.710 1.00 0.00 C ATOM 1028 O ILE A 66 0.145 3.001 3.366 1.00 0.00 O ATOM 1029 CB ILE A 66 1.422 2.449 0.300 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.711 3.904 0.668 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.858 2.355 -1.109 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.290 4.719 -0.471 1.00 0.00 C ATOM 0 H ILE A 66 -1.081 3.222 0.978 1.00 0.00 H new ATOM 0 HA ILE A 66 0.479 0.738 1.215 1.00 0.00 H new ATOM 0 HB ILE A 66 2.361 1.897 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.787 4.374 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.406 3.926 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.562 2.799 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.698 1.308 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.091 2.890 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.468 5.740 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.231 4.274 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.588 4.730 -1.305 1.00 0.00 H new ATOM 1044 N GLY A 67 1.948 1.669 3.157 1.00 0.00 N ATOM 1045 CA GLY A 67 2.456 1.962 4.479 1.00 0.00 C ATOM 1046 C GLY A 67 3.083 3.330 4.544 1.00 0.00 C ATOM 1047 O GLY A 67 4.266 3.465 4.849 1.00 0.00 O ATOM 0 H GLY A 67 2.519 1.017 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.644 1.899 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.193 1.210 4.761 1.00 0.00 H new ATOM 1051 N LEU A 68 2.296 4.344 4.222 1.00 0.00 N ATOM 1052 CA LEU A 68 2.793 5.706 4.214 1.00 0.00 C ATOM 1053 C LEU A 68 1.963 6.667 5.062 1.00 0.00 C ATOM 1054 O LEU A 68 0.751 6.794 4.891 1.00 0.00 O ATOM 1055 CB LEU A 68 2.849 6.220 2.779 1.00 0.00 C ATOM 1056 CG LEU A 68 3.987 7.179 2.500 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.760 8.477 3.244 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.306 6.561 2.905 1.00 0.00 C ATOM 0 H LEU A 68 1.314 4.248 3.964 1.00 0.00 H new ATOM 0 HA LEU A 68 3.788 5.674 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.935 5.368 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.907 6.717 2.547 1.00 0.00 H new ATOM 0 HG LEU A 68 4.020 7.388 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.582 9.162 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.823 8.926 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.711 8.279 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.115 7.262 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.288 6.331 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.467 5.644 2.339 1.00 0.00 H new ATOM 1070 N ARG A 69 2.662 7.377 5.943 1.00 0.00 N ATOM 1071 CA ARG A 69 2.058 8.386 6.805 1.00 0.00 C ATOM 1072 C ARG A 69 2.995 9.597 6.890 1.00 0.00 C ATOM 1073 O ARG A 69 4.146 9.460 7.304 1.00 0.00 O ATOM 1074 CB ARG A 69 1.782 7.803 8.196 1.00 0.00 C ATOM 1075 CG ARG A 69 1.966 8.791 9.338 1.00 0.00 C ATOM 1076 CD ARG A 69 3.222 8.490 10.140 1.00 0.00 C ATOM 1077 NE ARG A 69 2.963 8.475 11.577 1.00 0.00 N ATOM 1078 CZ ARG A 69 2.681 7.372 12.265 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.622 6.199 11.647 1.00 0.00 N ATOM 1080 NH2 ARG A 69 2.458 7.441 13.569 1.00 0.00 N ATOM 0 H ARG A 69 3.667 7.268 6.079 1.00 0.00 H new ATOM 0 HA ARG A 69 1.104 8.705 6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.761 7.423 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.443 6.952 8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.022 9.804 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.097 8.755 9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.625 7.524 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.983 9.238 9.917 1.00 0.00 H new ATOM 0 HE ARG A 69 3.000 9.361 12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.793 6.142 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.406 5.354 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.502 8.341 14.047 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.242 6.594 14.095 1.00 0.00 H new ATOM 1094 N ASN A 70 2.517 10.773 6.490 1.00 0.00 N ATOM 1095 CA ASN A 70 3.351 11.975 6.525 1.00 0.00 C ATOM 1096 C ASN A 70 3.232 12.697 7.862 1.00 0.00 C ATOM 1097 O ASN A 70 2.264 12.504 8.598 1.00 0.00 O ATOM 1098 CB ASN A 70 2.987 12.918 5.373 1.00 0.00 C ATOM 1099 CG ASN A 70 4.148 13.788 4.934 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.740 14.506 5.738 1.00 0.00 O ATOM 1101 ND2 ASN A 70 4.475 13.737 3.648 1.00 0.00 N ATOM 0 H ASN A 70 1.570 10.920 6.142 1.00 0.00 H new ATOM 0 HA ASN A 70 4.388 11.662 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.639 12.329 4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.158 13.555 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.243 14.307 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.958 13.128 3.014 1.00 0.00 H new ATOM 1108 N LEU A 71 4.234 13.518 8.178 1.00 0.00 N ATOM 1109 CA LEU A 71 4.246 14.254 9.439 1.00 0.00 C ATOM 1110 C LEU A 71 3.916 15.730 9.236 1.00 0.00 C ATOM 1111 O LEU A 71 3.729 16.468 10.204 1.00 0.00 O ATOM 1112 CB LEU A 71 5.611 14.117 10.115 1.00 0.00 C ATOM 1113 CG LEU A 71 5.852 12.783 10.823 1.00 0.00 C ATOM 1114 CD1 LEU A 71 7.179 12.181 10.388 1.00 0.00 C ATOM 1115 CD2 LEU A 71 5.818 12.968 12.333 1.00 0.00 C ATOM 0 H LEU A 71 5.043 13.688 7.581 1.00 0.00 H new ATOM 0 HA LEU A 71 3.476 13.823 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.387 14.257 9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.722 14.922 10.842 1.00 0.00 H new ATOM 0 HG LEU A 71 5.055 12.095 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.334 11.232 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.167 12.013 9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.989 12.866 10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.991 12.009 12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.595 13.672 12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.844 13.356 12.630 1.00 0.00 H new ATOM 1127 N ASP A 72 3.849 16.160 7.981 1.00 0.00 N ATOM 1128 CA ASP A 72 3.545 17.553 7.672 1.00 0.00 C ATOM 1129 C ASP A 72 2.879 17.685 6.306 1.00 0.00 C ATOM 1130 O ASP A 72 2.985 18.724 5.656 1.00 0.00 O ATOM 1131 CB ASP A 72 4.823 18.394 7.711 1.00 0.00 C ATOM 1132 CG ASP A 72 4.789 19.447 8.801 1.00 0.00 C ATOM 1133 OD1 ASP A 72 4.996 19.089 9.980 1.00 0.00 O ATOM 1134 OD2 ASP A 72 4.556 20.631 8.476 1.00 0.00 O ATOM 0 H ASP A 72 4.000 15.568 7.164 1.00 0.00 H new ATOM 0 HA ASP A 72 2.849 17.919 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.681 17.740 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.965 18.879 6.745 1.00 0.00 H new ATOM 1139 N LEU A 73 2.194 16.626 5.882 1.00 0.00 N ATOM 1140 CA LEU A 73 1.507 16.620 4.593 1.00 0.00 C ATOM 1141 C LEU A 73 2.491 16.859 3.450 1.00 0.00 C ATOM 1142 O LEU A 73 3.017 15.912 2.866 1.00 0.00 O ATOM 1143 CB LEU A 73 0.405 17.684 4.569 1.00 0.00 C ATOM 1144 CG LEU A 73 -0.600 17.599 5.719 1.00 0.00 C ATOM 1145 CD1 LEU A 73 -0.308 18.663 6.764 1.00 0.00 C ATOM 1146 CD2 LEU A 73 -2.021 17.739 5.195 1.00 0.00 C ATOM 0 H LEU A 73 2.100 15.760 6.413 1.00 0.00 H new ATOM 0 HA LEU A 73 1.053 15.638 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.871 18.669 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.136 17.604 3.626 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.502 16.621 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.034 18.586 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.696 18.517 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.377 19.650 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.723 17.676 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.132 18.703 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.227 16.938 4.485 1.00 0.00 H new ATOM 1158 N LYS A 74 2.738 18.127 3.138 1.00 0.00 N ATOM 1159 CA LYS A 74 3.662 18.486 2.069 1.00 0.00 C ATOM 1160 C LYS A 74 5.101 18.481 2.575 1.00 0.00 C ATOM 1161 O LYS A 74 6.039 18.716 1.813 1.00 0.00 O ATOM 1162 CB LYS A 74 3.313 19.865 1.504 1.00 0.00 C ATOM 1163 CG LYS A 74 3.278 20.962 2.555 1.00 0.00 C ATOM 1164 CD LYS A 74 2.245 22.025 2.217 1.00 0.00 C ATOM 1165 CE LYS A 74 2.873 23.407 2.140 1.00 0.00 C ATOM 1166 NZ LYS A 74 1.866 24.487 2.336 1.00 0.00 N ATOM 0 H LYS A 74 2.311 18.923 3.611 1.00 0.00 H new ATOM 0 HA LYS A 74 3.569 17.744 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.042 20.130 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.341 19.812 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.050 20.528 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.263 21.422 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.773 21.785 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.459 22.023 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.651 23.495 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.356 23.533 1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.335 25.414 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.137 24.420 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.423 24.383 3.271 1.00 0.00 H new ATOM 1180 N GLY A 75 5.265 18.209 3.867 1.00 0.00 N ATOM 1181 CA GLY A 75 6.590 18.176 4.456 1.00 0.00 C ATOM 1182 C GLY A 75 7.365 16.932 4.071 1.00 0.00 C ATOM 1183 O GLY A 75 7.783 16.785 2.922 1.00 0.00 O ATOM 0 H GLY A 75 4.503 18.011 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.146 19.059 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.503 18.225 5.541 1.00 0.00 H new ATOM 1187 N GLU A 76 7.553 16.031 5.030 1.00 0.00 N ATOM 1188 CA GLU A 76 8.277 14.792 4.782 1.00 0.00 C ATOM 1189 C GLU A 76 7.458 13.593 5.238 1.00 0.00 C ATOM 1190 O GLU A 76 7.026 13.527 6.392 1.00 0.00 O ATOM 1191 CB GLU A 76 9.629 14.805 5.501 1.00 0.00 C ATOM 1192 CG GLU A 76 9.745 15.881 6.570 1.00 0.00 C ATOM 1193 CD GLU A 76 10.997 15.731 7.413 1.00 0.00 C ATOM 1194 OE1 GLU A 76 11.017 14.849 8.297 1.00 0.00 O ATOM 1195 OE2 GLU A 76 11.958 16.497 7.189 1.00 0.00 O ATOM 0 H GLU A 76 7.213 16.137 5.986 1.00 0.00 H new ATOM 0 HA GLU A 76 8.451 14.710 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.795 13.830 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.420 14.950 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.747 16.862 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.869 15.842 7.217 1.00 0.00 H new ATOM 1202 N PHE A 77 7.231 12.651 4.329 1.00 0.00 N ATOM 1203 CA PHE A 77 6.453 11.476 4.655 1.00 0.00 C ATOM 1204 C PHE A 77 7.313 10.374 5.254 1.00 0.00 C ATOM 1205 O PHE A 77 8.508 10.270 4.980 1.00 0.00 O ATOM 1206 CB PHE A 77 5.642 10.995 3.431 1.00 0.00 C ATOM 1207 CG PHE A 77 6.340 10.101 2.425 1.00 0.00 C ATOM 1208 CD1 PHE A 77 7.112 9.014 2.809 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.182 10.346 1.069 1.00 0.00 C ATOM 1210 CE1 PHE A 77 7.713 8.199 1.866 1.00 0.00 C ATOM 1211 CE2 PHE A 77 6.783 9.535 0.124 1.00 0.00 C ATOM 1212 CZ PHE A 77 7.548 8.461 0.523 1.00 0.00 C ATOM 0 H PHE A 77 7.575 12.683 3.369 1.00 0.00 H new ATOM 0 HA PHE A 77 5.736 11.753 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.765 10.463 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.281 11.877 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.246 8.801 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.580 11.183 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.311 7.357 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.653 9.744 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.017 7.826 -0.214 1.00 0.00 H new ATOM 1222 N ILE A 78 6.680 9.561 6.083 1.00 0.00 N ATOM 1223 CA ILE A 78 7.344 8.453 6.747 1.00 0.00 C ATOM 1224 C ILE A 78 6.496 7.194 6.629 1.00 0.00 C ATOM 1225 O ILE A 78 5.274 7.250 6.724 1.00 0.00 O ATOM 1226 CB ILE A 78 7.611 8.772 8.233 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.013 9.385 8.384 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.441 7.526 9.097 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.921 8.663 9.361 1.00 0.00 C ATOM 0 H ILE A 78 5.691 9.651 6.314 1.00 0.00 H new ATOM 0 HA ILE A 78 8.304 8.290 6.258 1.00 0.00 H new ATOM 0 HB ILE A 78 6.879 9.501 8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.494 9.401 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.908 10.421 8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.635 7.777 10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.423 7.150 8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.144 6.759 8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.887 9.167 9.401 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.467 8.669 10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.062 7.633 9.033 1.00 0.00 H new ATOM 1241 N TRP A 79 7.146 6.060 6.416 1.00 0.00 N ATOM 1242 CA TRP A 79 6.434 4.799 6.276 1.00 0.00 C ATOM 1243 C TRP A 79 5.946 4.317 7.637 1.00 0.00 C ATOM 1244 O TRP A 79 6.498 4.694 8.669 1.00 0.00 O ATOM 1245 CB TRP A 79 7.340 3.729 5.645 1.00 0.00 C ATOM 1246 CG TRP A 79 8.162 4.204 4.476 1.00 0.00 C ATOM 1247 CD1 TRP A 79 8.113 5.424 3.862 1.00 0.00 C ATOM 1248 CD2 TRP A 79 9.161 3.450 3.776 1.00 0.00 C ATOM 1249 NE1 TRP A 79 9.021 5.477 2.831 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.675 4.277 2.758 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.672 2.156 3.914 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 10.673 3.850 1.886 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.663 1.734 3.047 1.00 0.00 C ATOM 1254 CH2 TRP A 79 11.154 2.580 2.044 1.00 0.00 C ATOM 0 H TRP A 79 8.160 5.987 6.337 1.00 0.00 H new ATOM 0 HA TRP A 79 5.577 4.963 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.013 3.345 6.412 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.719 2.894 5.319 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.455 6.232 4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 79 9.181 6.279 2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.299 1.497 4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 11.054 4.499 1.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.065 0.736 3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.928 2.222 1.382 1.00 0.00 H new ATOM 1265 N VAL A 80 4.914 3.479 7.634 1.00 0.00 N ATOM 1266 CA VAL A 80 4.369 2.943 8.876 1.00 0.00 C ATOM 1267 C VAL A 80 5.448 2.154 9.607 1.00 0.00 C ATOM 1268 O VAL A 80 5.406 1.991 10.828 1.00 0.00 O ATOM 1269 CB VAL A 80 3.145 2.035 8.613 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.372 1.190 7.376 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.840 1.157 9.819 1.00 0.00 C ATOM 0 H VAL A 80 4.440 3.158 6.790 1.00 0.00 H new ATOM 0 HA VAL A 80 4.039 3.780 9.491 1.00 0.00 H new ATOM 0 HB VAL A 80 2.279 2.675 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.502 0.556 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.524 1.840 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.254 0.565 7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.975 0.530 9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.701 0.525 10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.626 1.787 10.683 1.00 0.00 H new ATOM 1281 N ASP A 81 6.425 1.681 8.841 1.00 0.00 N ATOM 1282 CA ASP A 81 7.536 0.919 9.395 1.00 0.00 C ATOM 1283 C ASP A 81 8.537 1.851 10.070 1.00 0.00 C ATOM 1284 O ASP A 81 9.468 1.403 10.742 1.00 0.00 O ATOM 1285 CB ASP A 81 8.230 0.120 8.291 1.00 0.00 C ATOM 1286 CG ASP A 81 9.050 -1.032 8.839 1.00 0.00 C ATOM 1287 OD1 ASP A 81 8.462 -1.922 9.490 1.00 0.00 O ATOM 1288 OD2 ASP A 81 10.278 -1.046 8.616 1.00 0.00 O ATOM 0 H ASP A 81 6.469 1.813 7.831 1.00 0.00 H new ATOM 0 HA ASP A 81 7.143 0.228 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.481 -0.267 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.878 0.784 7.719 1.00 0.00 H new ATOM 1293 N GLY A 82 8.329 3.151 9.890 1.00 0.00 N ATOM 1294 CA GLY A 82 9.203 4.141 10.487 1.00 0.00 C ATOM 1295 C GLY A 82 10.388 4.495 9.606 1.00 0.00 C ATOM 1296 O GLY A 82 11.510 4.620 10.095 1.00 0.00 O ATOM 0 H GLY A 82 7.564 3.538 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.630 5.044 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.568 3.766 11.443 1.00 0.00 H new ATOM 1300 N SER A 83 10.143 4.656 8.307 1.00 0.00 N ATOM 1301 CA SER A 83 11.214 4.998 7.374 1.00 0.00 C ATOM 1302 C SER A 83 10.890 6.265 6.579 1.00 0.00 C ATOM 1303 O SER A 83 9.842 6.361 5.949 1.00 0.00 O ATOM 1304 CB SER A 83 11.470 3.834 6.415 1.00 0.00 C ATOM 1305 OG SER A 83 11.792 2.651 7.123 1.00 0.00 O ATOM 0 H SER A 83 9.222 4.556 7.880 1.00 0.00 H new ATOM 0 HA SER A 83 12.112 5.191 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.586 3.664 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.285 4.089 5.738 1.00 0.00 H new ATOM 0 HG SER A 83 11.949 1.922 6.487 1.00 0.00 H new ATOM 1311 N HIS A 84 11.805 7.231 6.606 1.00 0.00 N ATOM 1312 CA HIS A 84 11.622 8.484 5.882 1.00 0.00 C ATOM 1313 C HIS A 84 11.623 8.240 4.373 1.00 0.00 C ATOM 1314 O HIS A 84 12.157 7.235 3.902 1.00 0.00 O ATOM 1315 CB HIS A 84 12.731 9.472 6.260 1.00 0.00 C ATOM 1316 CG HIS A 84 12.754 10.713 5.420 1.00 0.00 C ATOM 1317 ND1 HIS A 84 11.638 11.491 5.193 1.00 0.00 N ATOM 1318 CD2 HIS A 84 13.767 11.308 4.747 1.00 0.00 C ATOM 1319 CE1 HIS A 84 11.963 12.509 4.418 1.00 0.00 C ATOM 1320 NE2 HIS A 84 13.250 12.423 4.134 1.00 0.00 N ATOM 0 H HIS A 84 12.682 7.169 7.123 1.00 0.00 H new ATOM 0 HA HIS A 84 10.657 8.909 6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.610 9.755 7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.695 8.970 6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.791 10.969 4.701 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.291 13.281 4.074 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.774 13.078 3.554 1.00 0.00 H new ATOM 1329 N VAL A 85 11.013 9.160 3.624 1.00 0.00 N ATOM 1330 CA VAL A 85 10.936 9.045 2.168 1.00 0.00 C ATOM 1331 C VAL A 85 12.261 8.583 1.567 1.00 0.00 C ATOM 1332 O VAL A 85 13.319 9.139 1.861 1.00 0.00 O ATOM 1333 CB VAL A 85 10.537 10.380 1.504 1.00 0.00 C ATOM 1334 CG1 VAL A 85 10.242 10.165 0.032 1.00 0.00 C ATOM 1335 CG2 VAL A 85 9.335 10.997 2.195 1.00 0.00 C ATOM 0 H VAL A 85 10.565 9.994 4.003 1.00 0.00 H new ATOM 0 HA VAL A 85 10.166 8.300 1.968 1.00 0.00 H new ATOM 0 HB VAL A 85 11.375 11.070 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.962 11.114 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.130 9.772 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.422 9.455 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.077 11.936 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.489 10.312 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.574 11.187 3.241 1.00 0.00 H new ATOM 1345 N ASP A 86 12.188 7.565 0.714 1.00 0.00 N ATOM 1346 CA ASP A 86 13.373 7.025 0.055 1.00 0.00 C ATOM 1347 C ASP A 86 13.296 7.260 -1.449 1.00 0.00 C ATOM 1348 O ASP A 86 13.863 8.222 -1.967 1.00 0.00 O ATOM 1349 CB ASP A 86 13.512 5.529 0.347 1.00 0.00 C ATOM 1350 CG ASP A 86 14.190 5.261 1.676 1.00 0.00 C ATOM 1351 OD1 ASP A 86 15.438 5.234 1.711 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.474 5.077 2.683 1.00 0.00 O ATOM 0 H ASP A 86 11.318 7.096 0.462 1.00 0.00 H new ATOM 0 HA ASP A 86 14.250 7.540 0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.524 5.068 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.084 5.057 -0.452 1.00 0.00 H new ATOM 1357 N TYR A 87 12.577 6.383 -2.146 1.00 0.00 N ATOM 1358 CA TYR A 87 12.413 6.506 -3.589 1.00 0.00 C ATOM 1359 C TYR A 87 11.226 7.406 -3.908 1.00 0.00 C ATOM 1360 O TYR A 87 11.291 8.248 -4.804 1.00 0.00 O ATOM 1361 CB TYR A 87 12.210 5.129 -4.226 1.00 0.00 C ATOM 1362 CG TYR A 87 13.344 4.165 -3.962 1.00 0.00 C ATOM 1363 CD1 TYR A 87 14.441 4.102 -4.813 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.320 3.318 -2.862 1.00 0.00 C ATOM 1365 CE1 TYR A 87 15.479 3.222 -4.576 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.355 2.436 -2.616 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.432 2.391 -3.476 1.00 0.00 C ATOM 1368 OH TYR A 87 16.465 1.514 -3.236 1.00 0.00 O ATOM 0 H TYR A 87 12.100 5.581 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 87 13.318 6.951 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.283 4.697 -3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.091 5.250 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.483 4.752 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.478 3.349 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.323 3.185 -5.249 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.321 1.785 -1.755 1.00 0.00 H new ATOM 0 HH TYR A 87 16.277 1.002 -2.422 1.00 0.00 H new ATOM 1378 N SER A 88 10.147 7.222 -3.150 1.00 0.00 N ATOM 1379 CA SER A 88 8.923 8.005 -3.312 1.00 0.00 C ATOM 1380 C SER A 88 8.408 7.970 -4.741 1.00 0.00 C ATOM 1381 O SER A 88 9.092 7.519 -5.660 1.00 0.00 O ATOM 1382 CB SER A 88 9.139 9.459 -2.897 1.00 0.00 C ATOM 1383 OG SER A 88 10.517 9.779 -2.817 1.00 0.00 O ATOM 0 H SER A 88 10.096 6.526 -2.406 1.00 0.00 H new ATOM 0 HA SER A 88 8.178 7.547 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.653 10.119 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.667 9.636 -1.931 1.00 0.00 H new ATOM 0 HG SER A 88 10.622 10.747 -2.709 1.00 0.00 H new ATOM 1389 N ASN A 89 7.192 8.464 -4.914 1.00 0.00 N ATOM 1390 CA ASN A 89 6.567 8.512 -6.222 1.00 0.00 C ATOM 1391 C ASN A 89 5.970 9.896 -6.483 1.00 0.00 C ATOM 1392 O ASN A 89 5.993 10.367 -7.618 1.00 0.00 O ATOM 1393 CB ASN A 89 5.516 7.408 -6.344 1.00 0.00 C ATOM 1394 CG ASN A 89 6.150 6.054 -6.586 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.322 5.036 -6.758 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 7.373 5.923 -6.621 1.00 0.00 N flip ATOM 0 H ASN A 89 6.617 8.839 -4.159 1.00 0.00 H new ATOM 0 HA ASN A 89 7.325 8.337 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.919 7.372 -5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.835 7.643 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.977 6.733 -6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.783 5.004 -6.788 1.00 0.00 H new ATOM 1403 N TRP A 90 5.468 10.548 -5.419 1.00 0.00 N ATOM 1404 CA TRP A 90 4.892 11.899 -5.509 1.00 0.00 C ATOM 1405 C TRP A 90 4.451 12.259 -6.930 1.00 0.00 C ATOM 1406 O TRP A 90 5.272 12.661 -7.755 1.00 0.00 O ATOM 1407 CB TRP A 90 5.918 12.935 -5.036 1.00 0.00 C ATOM 1408 CG TRP A 90 6.199 12.910 -3.562 1.00 0.00 C ATOM 1409 CD1 TRP A 90 6.396 11.812 -2.774 1.00 0.00 C ATOM 1410 CD2 TRP A 90 6.331 14.048 -2.700 1.00 0.00 C ATOM 1411 NE1 TRP A 90 6.640 12.199 -1.478 1.00 0.00 N ATOM 1412 CE2 TRP A 90 6.604 13.565 -1.408 1.00 0.00 C ATOM 1413 CE3 TRP A 90 6.242 15.429 -2.897 1.00 0.00 C ATOM 1414 CZ2 TRP A 90 6.792 14.412 -0.318 1.00 0.00 C ATOM 1415 CZ3 TRP A 90 6.429 16.269 -1.815 1.00 0.00 C ATOM 1416 CH2 TRP A 90 6.701 15.758 -0.540 1.00 0.00 C ATOM 0 H TRP A 90 5.451 10.155 -4.478 1.00 0.00 H new ATOM 0 HA TRP A 90 4.009 11.907 -4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.852 12.773 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.563 13.929 -5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.365 10.789 -3.119 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.819 11.570 -0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.031 15.832 -3.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 7.002 14.020 0.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 6.364 17.338 -1.956 1.00 0.00 H new ATOM 0 HH2 TRP A 90 6.842 16.441 0.285 1.00 0.00 H new ATOM 1427 N ALA A 91 3.154 12.128 -7.206 1.00 0.00 N ATOM 1428 CA ALA A 91 2.610 12.452 -8.524 1.00 0.00 C ATOM 1429 C ALA A 91 3.234 13.727 -9.089 1.00 0.00 C ATOM 1430 O ALA A 91 3.489 14.681 -8.354 1.00 0.00 O ATOM 1431 CB ALA A 91 1.098 12.606 -8.450 1.00 0.00 C ATOM 0 H ALA A 91 2.460 11.800 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 91 2.856 11.628 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.708 12.847 -9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.654 11.673 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.848 13.408 -7.756 1.00 0.00 H new ATOM 1437 N PRO A 92 3.489 13.761 -10.410 1.00 0.00 N ATOM 1438 CA PRO A 92 4.086 14.928 -11.068 1.00 0.00 C ATOM 1439 C PRO A 92 3.118 16.104 -11.148 1.00 0.00 C ATOM 1440 O PRO A 92 3.497 17.206 -11.545 1.00 0.00 O ATOM 1441 CB PRO A 92 4.418 14.413 -12.470 1.00 0.00 C ATOM 1442 CG PRO A 92 3.448 13.308 -12.704 1.00 0.00 C ATOM 1443 CD PRO A 92 3.215 12.668 -11.363 1.00 0.00 C ATOM 0 HA PRO A 92 4.951 15.307 -10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 92 4.311 15.200 -13.217 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.446 14.057 -12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.516 13.689 -13.121 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.845 12.585 -13.417 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.195 12.297 -11.267 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.879 11.819 -11.202 1.00 0.00 H new ATOM 1451 N GLY A 93 1.868 15.862 -10.768 1.00 0.00 N ATOM 1452 CA GLY A 93 0.864 16.909 -10.804 1.00 0.00 C ATOM 1453 C GLY A 93 1.059 17.936 -9.705 1.00 0.00 C ATOM 1454 O GLY A 93 1.994 18.734 -9.752 1.00 0.00 O ATOM 0 H GLY A 93 1.532 14.958 -10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.897 17.407 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.126 16.463 -10.709 1.00 0.00 H new ATOM 1458 N GLU A 94 0.171 17.915 -8.715 1.00 0.00 N ATOM 1459 CA GLU A 94 0.249 18.852 -7.600 1.00 0.00 C ATOM 1460 C GLU A 94 -0.205 18.191 -6.300 1.00 0.00 C ATOM 1461 O GLU A 94 -1.370 18.290 -5.917 1.00 0.00 O ATOM 1462 CB GLU A 94 -0.609 20.087 -7.884 1.00 0.00 C ATOM 1463 CG GLU A 94 0.142 21.199 -8.599 1.00 0.00 C ATOM 1464 CD GLU A 94 0.026 22.532 -7.887 1.00 0.00 C ATOM 1465 OE1 GLU A 94 -1.005 23.213 -8.068 1.00 0.00 O ATOM 1466 OE2 GLU A 94 0.965 22.895 -7.149 1.00 0.00 O ATOM 0 H GLU A 94 -0.609 17.260 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 94 1.289 19.158 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.467 19.792 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.000 20.472 -6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.194 20.926 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.243 21.299 -9.614 1.00 0.00 H new ATOM 1473 N PRO A 95 0.716 17.503 -5.601 1.00 0.00 N ATOM 1474 CA PRO A 95 0.405 16.824 -4.339 1.00 0.00 C ATOM 1475 C PRO A 95 0.199 17.805 -3.189 1.00 0.00 C ATOM 1476 O PRO A 95 -0.125 17.405 -2.070 1.00 0.00 O ATOM 1477 CB PRO A 95 1.641 15.960 -4.090 1.00 0.00 C ATOM 1478 CG PRO A 95 2.748 16.679 -4.779 1.00 0.00 C ATOM 1479 CD PRO A 95 2.131 17.333 -5.986 1.00 0.00 C ATOM 0 HA PRO A 95 -0.524 16.257 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.841 15.853 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.510 14.956 -4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.200 17.422 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.539 15.989 -5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.604 18.289 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.233 16.711 -6.875 1.00 0.00 H new ATOM 1487 N THR A 96 0.391 19.089 -3.471 1.00 0.00 N ATOM 1488 CA THR A 96 0.227 20.128 -2.461 1.00 0.00 C ATOM 1489 C THR A 96 -1.232 20.247 -2.034 1.00 0.00 C ATOM 1490 O THR A 96 -2.137 20.242 -2.869 1.00 0.00 O ATOM 1491 CB THR A 96 0.725 21.472 -2.995 1.00 0.00 C ATOM 1492 OG1 THR A 96 1.677 21.280 -4.027 1.00 0.00 O ATOM 1493 CG2 THR A 96 1.366 22.338 -1.933 1.00 0.00 C ATOM 0 H THR A 96 0.661 19.435 -4.392 1.00 0.00 H new ATOM 0 HA THR A 96 0.820 19.849 -1.590 1.00 0.00 H new ATOM 0 HB THR A 96 -0.163 21.982 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.219 21.252 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.697 23.276 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.641 22.546 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.223 21.817 -1.507 1.00 0.00 H new ATOM 1501 N SER A 97 -1.454 20.353 -0.727 1.00 0.00 N ATOM 1502 CA SER A 97 -2.804 20.474 -0.187 1.00 0.00 C ATOM 1503 C SER A 97 -2.815 21.357 1.056 1.00 0.00 C ATOM 1504 O SER A 97 -1.770 21.616 1.655 1.00 0.00 O ATOM 1505 CB SER A 97 -3.367 19.092 0.149 1.00 0.00 C ATOM 1506 OG SER A 97 -4.783 19.090 0.093 1.00 0.00 O ATOM 0 H SER A 97 -0.716 20.358 -0.023 1.00 0.00 H new ATOM 0 HA SER A 97 -3.432 20.939 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.971 18.355 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.039 18.795 1.145 1.00 0.00 H new ATOM 0 HG SER A 97 -5.118 18.195 0.310 1.00 0.00 H new ATOM 1512 N ARG A 98 -4.002 21.814 1.441 1.00 0.00 N ATOM 1513 CA ARG A 98 -4.150 22.667 2.615 1.00 0.00 C ATOM 1514 C ARG A 98 -4.924 21.949 3.716 1.00 0.00 C ATOM 1515 O ARG A 98 -6.154 21.944 3.722 1.00 0.00 O ATOM 1516 CB ARG A 98 -4.864 23.967 2.239 1.00 0.00 C ATOM 1517 CG ARG A 98 -4.668 25.083 3.253 1.00 0.00 C ATOM 1518 CD ARG A 98 -3.800 26.199 2.694 1.00 0.00 C ATOM 1519 NE ARG A 98 -2.973 26.817 3.726 1.00 0.00 N ATOM 1520 CZ ARG A 98 -1.644 26.759 3.740 1.00 0.00 C ATOM 1521 NH1 ARG A 98 -0.995 26.111 2.782 1.00 0.00 N ATOM 1522 NH2 ARG A 98 -0.964 27.348 4.714 1.00 0.00 N ATOM 0 H ARG A 98 -4.876 21.608 0.957 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.154 22.902 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.502 24.303 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.930 23.768 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.638 25.486 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.207 24.680 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.160 25.801 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.435 26.957 2.236 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.441 27.322 4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.515 25.655 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.024 26.068 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.460 27.846 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.055 27.303 4.724 1.00 0.00 H new ATOM 1536 N SER A 99 -4.192 21.341 4.645 1.00 0.00 N ATOM 1537 CA SER A 99 -4.808 20.618 5.752 1.00 0.00 C ATOM 1538 C SER A 99 -3.812 20.412 6.888 1.00 0.00 C ATOM 1539 O SER A 99 -2.665 20.855 6.809 1.00 0.00 O ATOM 1540 CB SER A 99 -5.340 19.266 5.273 1.00 0.00 C ATOM 1541 OG SER A 99 -6.676 19.376 4.815 1.00 0.00 O ATOM 0 H SER A 99 -3.172 21.335 4.653 1.00 0.00 H new ATOM 0 HA SER A 99 -5.639 21.216 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.707 18.887 4.470 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.290 18.543 6.087 1.00 0.00 H new ATOM 0 HG SER A 99 -6.792 20.229 4.347 1.00 0.00 H new ATOM 1547 N GLN A 100 -4.256 19.737 7.944 1.00 0.00 N ATOM 1548 CA GLN A 100 -3.405 19.472 9.097 1.00 0.00 C ATOM 1549 C GLN A 100 -3.844 18.201 9.818 1.00 0.00 C ATOM 1550 O GLN A 100 -5.035 17.985 10.045 1.00 0.00 O ATOM 1551 CB GLN A 100 -3.436 20.657 10.064 1.00 0.00 C ATOM 1552 CG GLN A 100 -2.228 20.722 10.985 1.00 0.00 C ATOM 1553 CD GLN A 100 -2.606 21.025 12.421 1.00 0.00 C ATOM 1554 OE1 GLN A 100 -3.383 20.297 13.038 1.00 0.00 O ATOM 1555 NE2 GLN A 100 -2.058 22.108 12.962 1.00 0.00 N ATOM 0 H GLN A 100 -5.202 19.364 8.024 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.385 19.331 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.495 21.582 9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.341 20.598 10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.695 19.772 10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.542 21.488 10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.419 22.684 12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.277 22.363 13.925 1.00 0.00 H new ATOM 1564 N GLY A 101 -2.875 17.365 10.175 1.00 0.00 N ATOM 1565 CA GLY A 101 -3.180 16.126 10.868 1.00 0.00 C ATOM 1566 C GLY A 101 -2.361 14.958 10.354 1.00 0.00 C ATOM 1567 O GLY A 101 -1.194 15.120 9.994 1.00 0.00 O ATOM 0 H GLY A 101 -1.883 17.523 9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.995 16.255 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.240 15.901 10.754 1.00 0.00 H new ATOM 1571 N GLU A 102 -2.971 13.778 10.322 1.00 0.00 N ATOM 1572 CA GLU A 102 -2.292 12.577 9.850 1.00 0.00 C ATOM 1573 C GLU A 102 -2.450 12.419 8.341 1.00 0.00 C ATOM 1574 O GLU A 102 -3.485 11.955 7.861 1.00 0.00 O ATOM 1575 CB GLU A 102 -2.837 11.341 10.566 1.00 0.00 C ATOM 1576 CG GLU A 102 -1.774 10.546 11.305 1.00 0.00 C ATOM 1577 CD GLU A 102 -2.355 9.662 12.390 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -2.602 10.172 13.503 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -2.565 8.459 12.127 1.00 0.00 O ATOM 0 H GLU A 102 -3.936 13.628 10.618 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.231 12.678 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.605 11.651 11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.321 10.693 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.227 9.928 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.054 11.234 11.749 1.00 0.00 H new ATOM 1586 N ASP A 103 -1.419 12.807 7.599 1.00 0.00 N ATOM 1587 CA ASP A 103 -1.440 12.709 6.144 1.00 0.00 C ATOM 1588 C ASP A 103 -1.281 11.259 5.694 1.00 0.00 C ATOM 1589 O ASP A 103 -0.861 10.402 6.471 1.00 0.00 O ATOM 1590 CB ASP A 103 -0.330 13.569 5.540 1.00 0.00 C ATOM 1591 CG ASP A 103 -0.594 13.924 4.091 1.00 0.00 C ATOM 1592 OD1 ASP A 103 -0.329 13.075 3.214 1.00 0.00 O ATOM 1593 OD2 ASP A 103 -1.065 15.051 3.833 1.00 0.00 O ATOM 0 H ASP A 103 -0.556 13.193 7.982 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.405 13.075 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.227 14.485 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.618 13.036 5.613 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.621 10.994 4.436 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.519 9.650 3.882 1.00 0.00 C ATOM 1600 C CYS A 104 -1.224 9.702 2.386 1.00 0.00 C ATOM 1601 O CYS A 104 -1.575 10.667 1.703 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.815 8.872 4.127 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.974 9.689 5.272 1.00 0.00 S ATOM 0 H CYS A 104 -1.970 11.694 3.781 1.00 0.00 H new ATOM 0 HA CYS A 104 -0.696 9.140 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.316 8.714 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.565 7.888 4.522 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.580 8.659 1.883 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.244 8.582 0.470 1.00 0.00 C ATOM 1610 C VAL A 105 -1.145 7.591 -0.253 1.00 0.00 C ATOM 1611 O VAL A 105 -1.257 6.429 0.139 1.00 0.00 O ATOM 1612 CB VAL A 105 1.230 8.192 0.257 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.485 7.808 -1.190 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.133 9.342 0.660 1.00 0.00 C ATOM 0 H VAL A 105 -0.280 7.854 2.433 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.401 9.576 0.052 1.00 0.00 H new ATOM 0 HB VAL A 105 1.451 7.327 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.533 7.537 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.856 6.959 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.249 8.652 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.174 9.058 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.902 10.217 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.973 9.579 1.712 1.00 0.00 H new ATOM 1624 N MET A 106 -1.785 8.068 -1.310 1.00 0.00 N ATOM 1625 CA MET A 106 -2.686 7.249 -2.105 1.00 0.00 C ATOM 1626 C MET A 106 -2.182 7.143 -3.537 1.00 0.00 C ATOM 1627 O MET A 106 -1.267 7.858 -3.934 1.00 0.00 O ATOM 1628 CB MET A 106 -4.096 7.839 -2.089 1.00 0.00 C ATOM 1629 CG MET A 106 -4.152 9.297 -2.514 1.00 0.00 C ATOM 1630 SD MET A 106 -5.728 10.077 -2.117 1.00 0.00 S ATOM 1631 CE MET A 106 -6.807 9.283 -3.307 1.00 0.00 C ATOM 0 H MET A 106 -1.695 9.029 -1.639 1.00 0.00 H new ATOM 0 HA MET A 106 -2.718 6.250 -1.669 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.734 7.252 -2.750 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.508 7.746 -1.084 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.347 9.845 -2.025 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.978 9.365 -3.588 1.00 0.00 H new ATOM 0 HE1 MET A 106 -7.626 9.956 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 106 -6.242 9.043 -4.207 1.00 0.00 H new ATOM 0 HE3 MET A 106 -7.211 8.366 -2.877 1.00 0.00 H new ATOM 1641 N MET A 107 -2.780 6.250 -4.309 1.00 0.00 N ATOM 1642 CA MET A 107 -2.381 6.064 -5.698 1.00 0.00 C ATOM 1643 C MET A 107 -3.552 6.313 -6.631 1.00 0.00 C ATOM 1644 O MET A 107 -4.643 5.775 -6.440 1.00 0.00 O ATOM 1645 CB MET A 107 -1.862 4.650 -5.938 1.00 0.00 C ATOM 1646 CG MET A 107 -1.757 3.797 -4.691 1.00 0.00 C ATOM 1647 SD MET A 107 -0.054 3.360 -4.294 1.00 0.00 S ATOM 1648 CE MET A 107 0.625 3.119 -5.935 1.00 0.00 C ATOM 0 H MET A 107 -3.540 5.644 -4.001 1.00 0.00 H new ATOM 0 HA MET A 107 -1.586 6.781 -5.902 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.520 4.151 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.878 4.712 -6.404 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.196 4.333 -3.850 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.340 2.886 -4.828 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.650 2.757 -5.855 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.023 2.387 -6.474 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.615 4.066 -6.475 1.00 0.00 H new ATOM 1658 N ARG A 108 -3.305 7.134 -7.643 1.00 0.00 N ATOM 1659 CA ARG A 108 -4.327 7.476 -8.630 1.00 0.00 C ATOM 1660 C ARG A 108 -3.794 8.496 -9.630 1.00 0.00 C ATOM 1661 O ARG A 108 -2.591 8.746 -9.695 1.00 0.00 O ATOM 1662 CB ARG A 108 -5.575 8.034 -7.941 1.00 0.00 C ATOM 1663 CG ARG A 108 -6.849 7.279 -8.283 1.00 0.00 C ATOM 1664 CD ARG A 108 -7.867 8.181 -8.962 1.00 0.00 C ATOM 1665 NE ARG A 108 -8.512 9.087 -8.016 1.00 0.00 N ATOM 1666 CZ ARG A 108 -9.643 9.739 -8.272 1.00 0.00 C ATOM 1667 NH1 ARG A 108 -10.250 9.585 -9.441 1.00 0.00 N ATOM 1668 NH2 ARG A 108 -10.166 10.544 -7.358 1.00 0.00 N ATOM 0 H ARG A 108 -2.401 7.579 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.593 6.565 -9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.426 8.008 -6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.697 9.080 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.611 6.440 -8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.281 6.862 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.374 8.762 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.624 7.569 -9.452 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.070 9.228 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.850 8.966 -10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.117 10.086 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.701 10.664 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.033 11.044 -7.555 1.00 0.00 H new ATOM 1682 N GLY A 109 -4.700 9.086 -10.404 1.00 0.00 N ATOM 1683 CA GLY A 109 -4.304 10.077 -11.388 1.00 0.00 C ATOM 1684 C GLY A 109 -3.848 9.457 -12.693 1.00 0.00 C ATOM 1685 O GLY A 109 -4.366 9.791 -13.759 1.00 0.00 O ATOM 0 H GLY A 109 -5.701 8.895 -10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.143 10.746 -11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.498 10.687 -10.979 1.00 0.00 H new ATOM 1689 N SER A 110 -2.873 8.556 -12.614 1.00 0.00 N ATOM 1690 CA SER A 110 -2.347 7.897 -13.803 1.00 0.00 C ATOM 1691 C SER A 110 -1.740 6.541 -13.460 1.00 0.00 C ATOM 1692 O SER A 110 -1.431 5.748 -14.351 1.00 0.00 O ATOM 1693 CB SER A 110 -1.294 8.780 -14.473 1.00 0.00 C ATOM 1694 OG SER A 110 -1.845 10.027 -14.861 1.00 0.00 O ATOM 0 H SER A 110 -2.433 8.267 -11.741 1.00 0.00 H new ATOM 0 HA SER A 110 -3.177 7.737 -14.491 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.463 8.944 -13.787 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.890 8.270 -15.347 1.00 0.00 H new ATOM 0 HG SER A 110 -1.151 10.573 -15.285 1.00 0.00 H new ATOM 1700 N GLY A 111 -1.563 6.279 -12.169 1.00 0.00 N ATOM 1701 CA GLY A 111 -0.986 5.022 -11.743 1.00 0.00 C ATOM 1702 C GLY A 111 0.189 5.220 -10.811 1.00 0.00 C ATOM 1703 O GLY A 111 0.966 4.295 -10.571 1.00 0.00 O ATOM 0 H GLY A 111 -1.810 6.916 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.748 4.425 -11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.663 4.457 -12.618 1.00 0.00 H new ATOM 1707 N ARG A 112 0.323 6.433 -10.287 1.00 0.00 N ATOM 1708 CA ARG A 112 1.413 6.755 -9.376 1.00 0.00 C ATOM 1709 C ARG A 112 0.889 7.036 -7.970 1.00 0.00 C ATOM 1710 O ARG A 112 -0.159 6.530 -7.574 1.00 0.00 O ATOM 1711 CB ARG A 112 2.206 7.961 -9.894 1.00 0.00 C ATOM 1712 CG ARG A 112 1.411 8.871 -10.817 1.00 0.00 C ATOM 1713 CD ARG A 112 0.312 9.608 -10.068 1.00 0.00 C ATOM 1714 NE ARG A 112 -0.333 10.619 -10.901 1.00 0.00 N ATOM 1715 CZ ARG A 112 -1.301 11.423 -10.470 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -1.733 11.335 -9.219 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -1.836 12.316 -11.290 1.00 0.00 N ATOM 0 H ARG A 112 -0.310 7.209 -10.478 1.00 0.00 H new ATOM 0 HA ARG A 112 2.075 5.891 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.560 8.543 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.088 7.603 -10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 112 2.082 9.593 -11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.971 8.280 -11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.434 8.893 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.733 10.083 -9.182 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.024 10.714 -11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.323 10.650 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.475 11.953 -8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.506 12.387 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.578 12.932 -10.959 1.00 0.00 H new ATOM 1731 N TRP A 113 1.637 7.837 -7.221 1.00 0.00 N ATOM 1732 CA TRP A 113 1.281 8.189 -5.855 1.00 0.00 C ATOM 1733 C TRP A 113 0.819 9.619 -5.735 1.00 0.00 C ATOM 1734 O TRP A 113 1.123 10.469 -6.567 1.00 0.00 O ATOM 1735 CB TRP A 113 2.477 8.076 -4.919 1.00 0.00 C ATOM 1736 CG TRP A 113 2.943 6.698 -4.634 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.657 5.567 -5.324 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.816 6.326 -3.573 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.308 4.502 -4.760 1.00 0.00 N ATOM 1740 CE2 TRP A 113 4.025 4.943 -3.674 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.439 7.041 -2.548 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.840 4.250 -2.779 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.248 6.356 -1.661 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.443 4.972 -1.781 1.00 0.00 C ATOM 0 H TRP A 113 2.507 8.260 -7.545 1.00 0.00 H new ATOM 0 HA TRP A 113 0.486 7.494 -5.586 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.306 8.638 -5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.222 8.556 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.012 5.514 -6.189 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.267 3.538 -5.092 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.292 8.106 -2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.991 3.184 -2.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.738 6.895 -0.863 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.081 4.465 -1.073 1.00 0.00 H new ATOM 1755 N ASN A 114 0.154 9.872 -4.630 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.291 11.198 -4.285 1.00 0.00 C ATOM 1757 C ASN A 114 -0.110 11.366 -2.785 1.00 0.00 C ATOM 1758 O ASN A 114 -0.674 10.612 -1.993 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.756 11.403 -4.676 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.084 12.858 -4.945 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.980 13.330 -6.077 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.481 13.579 -3.903 1.00 0.00 N ATOM 0 H ASN A 114 -0.093 9.159 -3.944 1.00 0.00 H new ATOM 0 HA ASN A 114 0.292 11.943 -4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -1.978 10.813 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.398 11.030 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.714 14.565 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.553 13.147 -2.982 1.00 0.00 H new ATOM 1769 N ASP A 115 0.688 12.345 -2.402 1.00 0.00 N ATOM 1770 CA ASP A 115 0.956 12.599 -0.999 1.00 0.00 C ATOM 1771 C ASP A 115 0.108 13.764 -0.501 1.00 0.00 C ATOM 1772 O ASP A 115 0.463 14.927 -0.686 1.00 0.00 O ATOM 1773 CB ASP A 115 2.449 12.890 -0.804 1.00 0.00 C ATOM 1774 CG ASP A 115 2.911 12.622 0.617 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.051 12.340 1.478 1.00 0.00 O ATOM 1776 OD2 ASP A 115 4.132 12.697 0.867 1.00 0.00 O ATOM 0 H ASP A 115 1.163 12.979 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 115 0.692 11.716 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.029 12.276 -1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.650 13.931 -1.058 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.027 13.442 0.119 1.00 0.00 N ATOM 1782 CA ALA A 116 -1.933 14.460 0.624 1.00 0.00 C ATOM 1783 C ALA A 116 -2.813 13.913 1.741 1.00 0.00 C ATOM 1784 O ALA A 116 -2.967 12.702 1.888 1.00 0.00 O ATOM 1785 CB ALA A 116 -2.793 14.999 -0.508 1.00 0.00 C ATOM 0 H ALA A 116 -1.336 12.484 0.281 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.334 15.272 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.469 15.761 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.153 15.437 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.374 14.186 -0.942 1.00 0.00 H new ATOM 1791 N PHE A 117 -3.388 14.818 2.524 1.00 0.00 N ATOM 1792 CA PHE A 117 -4.259 14.436 3.632 1.00 0.00 C ATOM 1793 C PHE A 117 -5.302 13.418 3.180 1.00 0.00 C ATOM 1794 O PHE A 117 -5.623 13.330 1.995 1.00 0.00 O ATOM 1795 CB PHE A 117 -4.954 15.671 4.211 1.00 0.00 C ATOM 1796 CG PHE A 117 -5.467 15.470 5.608 1.00 0.00 C ATOM 1797 CD1 PHE A 117 -4.591 15.401 6.680 1.00 0.00 C ATOM 1798 CD2 PHE A 117 -6.827 15.350 5.850 1.00 0.00 C ATOM 1799 CE1 PHE A 117 -5.061 15.217 7.966 1.00 0.00 C ATOM 1800 CE2 PHE A 117 -7.302 15.166 7.135 1.00 0.00 C ATOM 1801 CZ PHE A 117 -6.418 15.100 8.195 1.00 0.00 C ATOM 0 H PHE A 117 -3.267 15.825 2.413 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.641 13.978 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.255 16.507 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.786 15.947 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.529 15.492 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.523 15.401 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.367 15.165 8.792 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.364 15.074 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.787 14.957 9.200 1.00 0.00 H new ATOM 1811 N CYS A 118 -5.823 12.650 4.130 1.00 0.00 N ATOM 1812 CA CYS A 118 -6.826 11.635 3.829 1.00 0.00 C ATOM 1813 C CYS A 118 -8.208 12.261 3.664 1.00 0.00 C ATOM 1814 O CYS A 118 -9.118 11.995 4.448 1.00 0.00 O ATOM 1815 CB CYS A 118 -6.857 10.576 4.932 1.00 0.00 C ATOM 1816 SG CYS A 118 -5.804 9.125 4.597 1.00 0.00 S ATOM 0 H CYS A 118 -5.567 12.711 5.116 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.552 11.159 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -6.540 11.033 5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -7.885 10.242 5.072 1.00 0.00 H new ATOM 1821 N ASP A 119 -8.356 13.090 2.635 1.00 0.00 N ATOM 1822 CA ASP A 119 -9.627 13.751 2.362 1.00 0.00 C ATOM 1823 C ASP A 119 -10.405 12.997 1.290 1.00 0.00 C ATOM 1824 O ASP A 119 -11.605 13.211 1.112 1.00 0.00 O ATOM 1825 CB ASP A 119 -9.391 15.196 1.920 1.00 0.00 C ATOM 1826 CG ASP A 119 -8.388 15.298 0.787 1.00 0.00 C ATOM 1827 OD1 ASP A 119 -8.812 15.242 -0.387 1.00 0.00 O ATOM 1828 OD2 ASP A 119 -7.181 15.433 1.073 1.00 0.00 O ATOM 0 H ASP A 119 -7.611 13.320 1.977 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.215 13.755 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -10.337 15.636 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -9.036 15.779 2.769 1.00 0.00 H new ATOM 1833 N ARG A 120 -9.712 12.114 0.578 1.00 0.00 N ATOM 1834 CA ARG A 120 -10.333 11.322 -0.479 1.00 0.00 C ATOM 1835 C ARG A 120 -10.669 9.921 0.025 1.00 0.00 C ATOM 1836 O ARG A 120 -10.721 9.681 1.231 1.00 0.00 O ATOM 1837 CB ARG A 120 -9.406 11.235 -1.693 1.00 0.00 C ATOM 1838 CG ARG A 120 -8.615 12.507 -1.950 1.00 0.00 C ATOM 1839 CD ARG A 120 -8.791 12.993 -3.380 1.00 0.00 C ATOM 1840 NE ARG A 120 -8.175 14.300 -3.592 1.00 0.00 N ATOM 1841 CZ ARG A 120 -8.864 15.405 -3.863 1.00 0.00 C ATOM 1842 NH1 ARG A 120 -10.187 15.359 -3.958 1.00 0.00 N ATOM 1843 NH2 ARG A 120 -8.231 16.556 -4.041 1.00 0.00 N ATOM 0 H ARG A 120 -8.718 11.928 0.714 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.258 11.815 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.711 10.408 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.000 11.002 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.939 13.284 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.558 12.326 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.351 12.269 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.854 13.050 -3.616 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.159 14.369 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.678 14.475 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.713 16.208 -4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.214 16.595 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.761 17.403 -4.249 1.00 0.00 H new ATOM 1857 N LYS A 121 -10.896 8.998 -0.906 1.00 0.00 N ATOM 1858 CA LYS A 121 -11.226 7.623 -0.551 1.00 0.00 C ATOM 1859 C LYS A 121 -10.890 6.667 -1.692 1.00 0.00 C ATOM 1860 O LYS A 121 -11.395 6.810 -2.805 1.00 0.00 O ATOM 1861 CB LYS A 121 -12.711 7.509 -0.197 1.00 0.00 C ATOM 1862 CG LYS A 121 -12.962 7.086 1.241 1.00 0.00 C ATOM 1863 CD LYS A 121 -13.960 8.003 1.927 1.00 0.00 C ATOM 1864 CE LYS A 121 -13.528 8.335 3.345 1.00 0.00 C ATOM 1865 NZ LYS A 121 -14.651 8.204 4.314 1.00 0.00 N ATOM 0 H LYS A 121 -10.857 9.178 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 121 -10.628 7.346 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -13.193 8.471 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -13.181 6.789 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -13.335 6.062 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.022 7.093 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -14.064 8.923 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.940 7.526 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -12.714 7.673 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.138 9.352 3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -14.314 8.439 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -15.417 8.854 4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.007 7.227 4.303 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.036 5.688 -1.403 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.634 4.705 -2.401 1.00 0.00 C ATOM 1881 C LEU A 122 -10.640 3.558 -2.460 1.00 0.00 C ATOM 1882 O LEU A 122 -11.817 3.744 -2.152 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.237 4.168 -2.084 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.099 5.161 -2.326 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.903 6.056 -1.113 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.812 4.424 -2.657 1.00 0.00 C ATOM 0 H LEU A 122 -9.610 5.556 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.609 5.193 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.211 3.855 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.059 3.278 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.366 5.789 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.089 6.755 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.821 6.611 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.659 5.444 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.013 5.146 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.542 3.772 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.957 3.825 -3.556 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.179 2.376 -2.860 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.071 1.237 -2.947 1.00 0.00 C ATOM 1900 C GLY A 123 -10.344 -0.093 -3.018 1.00 0.00 C ATOM 1901 O GLY A 123 -10.871 -1.061 -3.565 1.00 0.00 O ATOM 0 H GLY A 123 -9.211 2.189 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.732 1.236 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.702 1.345 -3.829 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.134 -0.153 -2.464 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.363 -1.392 -2.479 1.00 0.00 C ATOM 1907 C ALA A 124 -7.512 -1.541 -1.226 1.00 0.00 C ATOM 1908 O ALA A 124 -6.801 -0.619 -0.828 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.493 -1.465 -3.721 1.00 0.00 C ATOM 0 H ALA A 124 -8.672 0.632 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.073 -2.219 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.926 -2.396 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.124 -1.431 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.804 -0.621 -3.733 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.587 -2.718 -0.615 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.824 -3.009 0.591 1.00 0.00 C ATOM 1917 C TRP A 125 -5.562 -3.791 0.248 1.00 0.00 C ATOM 1918 O TRP A 125 -5.623 -4.988 -0.031 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.675 -3.812 1.581 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.832 -3.044 2.151 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.376 -1.889 1.665 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.591 -3.384 3.318 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.423 -1.490 2.460 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.575 -2.390 3.480 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.533 -4.431 4.241 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.492 -2.415 4.527 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.445 -4.455 5.280 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.413 -3.452 5.416 1.00 0.00 C ATOM 0 H TRP A 125 -8.172 -3.489 -0.938 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.540 -2.063 1.051 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -8.054 -4.703 1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.040 -4.152 2.399 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.033 -1.366 0.784 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.994 -0.658 2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.789 -5.208 4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.240 -1.643 4.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.410 -5.261 5.999 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -12.111 -3.498 6.239 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.421 -3.112 0.265 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.158 -3.752 -0.048 1.00 0.00 C ATOM 1941 C VAL A 126 -2.259 -3.804 1.190 1.00 0.00 C ATOM 1942 O VAL A 126 -2.067 -2.805 1.882 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.447 -3.024 -1.208 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.968 -3.304 -1.197 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.036 -3.441 -2.540 1.00 0.00 C ATOM 0 H VAL A 126 -4.349 -2.120 0.492 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.364 -4.774 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.600 -1.954 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.492 -2.779 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.540 -2.961 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.800 -4.376 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.521 -2.917 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.914 -4.516 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.097 -3.190 -2.563 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.737 -4.993 1.462 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.877 -5.242 2.618 1.00 0.00 C ATOM 1957 C CYS A 127 0.299 -6.118 2.213 1.00 0.00 C ATOM 1958 O CYS A 127 0.300 -6.685 1.129 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.663 -5.917 3.744 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.402 -5.391 3.864 1.00 0.00 S ATOM 0 H CYS A 127 -1.898 -5.819 0.885 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.505 -4.284 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.632 -6.997 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.167 -5.710 4.692 1.00 0.00 H new ATOM 1965 N ASP A 128 1.304 -6.218 3.071 1.00 0.00 N ATOM 1966 CA ASP A 128 2.465 -7.033 2.770 1.00 0.00 C ATOM 1967 C ASP A 128 2.713 -8.036 3.887 1.00 0.00 C ATOM 1968 O ASP A 128 2.526 -7.739 5.063 1.00 0.00 O ATOM 1969 CB ASP A 128 3.691 -6.143 2.583 1.00 0.00 C ATOM 1970 CG ASP A 128 4.992 -6.878 2.843 1.00 0.00 C ATOM 1971 OD1 ASP A 128 5.387 -7.703 1.994 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.616 -6.626 3.895 1.00 0.00 O ATOM 0 H ASP A 128 1.337 -5.747 3.975 1.00 0.00 H new ATOM 0 HA ASP A 128 2.278 -7.581 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 128 3.698 -5.749 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.621 -5.288 3.256 1.00 0.00 H new ATOM 1977 N ARG A 129 3.140 -9.226 3.497 1.00 0.00 N ATOM 1978 CA ARG A 129 3.426 -10.295 4.439 1.00 0.00 C ATOM 1979 C ARG A 129 4.372 -11.297 3.803 1.00 0.00 C ATOM 1980 O ARG A 129 4.468 -11.366 2.581 1.00 0.00 O ATOM 1981 CB ARG A 129 2.133 -10.991 4.870 1.00 0.00 C ATOM 1982 CG ARG A 129 2.237 -11.685 6.219 1.00 0.00 C ATOM 1983 CD ARG A 129 1.979 -13.179 6.097 1.00 0.00 C ATOM 1984 NE ARG A 129 1.744 -13.800 7.397 1.00 0.00 N ATOM 1985 CZ ARG A 129 0.546 -14.192 7.822 1.00 0.00 C ATOM 1986 NH1 ARG A 129 -0.520 -14.029 7.050 1.00 0.00 N ATOM 1987 NH2 ARG A 129 0.415 -14.750 9.018 1.00 0.00 N ATOM 0 H ARG A 129 3.298 -9.477 2.521 1.00 0.00 H new ATOM 0 HA ARG A 129 3.897 -9.868 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.330 -10.255 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.855 -11.725 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.229 -11.519 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.519 -11.246 6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.115 -13.347 5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.833 -13.656 5.616 1.00 0.00 H new ATOM 0 HE ARG A 129 2.544 -13.941 8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.422 -13.602 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.438 -14.330 7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.233 -14.879 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.504 -15.050 9.343 1.00 0.00 H new ATOM 2001 N LEU A 130 5.057 -12.079 4.619 1.00 0.00 N ATOM 2002 CA LEU A 130 5.981 -13.072 4.097 1.00 0.00 C ATOM 2003 C LEU A 130 5.230 -14.165 3.342 1.00 0.00 C ATOM 2004 O LEU A 130 4.164 -14.610 3.768 1.00 0.00 O ATOM 2005 CB LEU A 130 6.819 -13.668 5.230 1.00 0.00 C ATOM 2006 CG LEU A 130 8.088 -12.882 5.589 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.323 -13.600 5.069 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.028 -11.458 5.038 1.00 0.00 C ATOM 0 H LEU A 130 4.993 -12.047 5.636 1.00 0.00 H new ATOM 0 HA LEU A 130 6.655 -12.581 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.195 -13.745 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.106 -14.683 4.953 1.00 0.00 H new ATOM 0 HG LEU A 130 8.150 -12.821 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.214 -13.029 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.383 -14.592 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.260 -13.694 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 130 8.940 -10.925 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.935 -11.492 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.167 -10.940 5.460 1.00 0.00 H new ATOM 2020 N ALA A 131 5.788 -14.577 2.205 1.00 0.00 N ATOM 2021 CA ALA A 131 5.172 -15.602 1.366 1.00 0.00 C ATOM 2022 C ALA A 131 5.006 -16.927 2.105 1.00 0.00 C ATOM 2023 O ALA A 131 4.459 -17.885 1.557 1.00 0.00 O ATOM 2024 CB ALA A 131 5.995 -15.807 0.103 1.00 0.00 C ATOM 0 H ALA A 131 6.670 -14.214 1.843 1.00 0.00 H new ATOM 0 HA ALA A 131 4.175 -15.250 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.527 -16.573 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.046 -14.872 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.003 -16.124 0.373 1.00 0.00 H new ATOM 2030 N THR A 132 5.475 -16.981 3.346 1.00 0.00 N ATOM 2031 CA THR A 132 5.370 -18.194 4.142 1.00 0.00 C ATOM 2032 C THR A 132 4.125 -18.164 5.022 1.00 0.00 C ATOM 2033 O THR A 132 3.893 -17.204 5.757 1.00 0.00 O ATOM 2034 CB THR A 132 6.619 -18.374 5.009 1.00 0.00 C ATOM 2035 OG1 THR A 132 6.615 -17.459 6.089 1.00 0.00 O ATOM 2036 CG2 THR A 132 7.911 -18.179 4.245 1.00 0.00 C ATOM 0 H THR A 132 5.930 -16.201 3.820 1.00 0.00 H new ATOM 0 HA THR A 132 5.288 -19.039 3.458 1.00 0.00 H new ATOM 0 HB THR A 132 6.579 -19.404 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 132 5.729 -17.047 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 132 8.757 -18.321 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 132 7.967 -18.905 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 132 7.941 -17.171 3.832 1.00 0.00 H new ATOM 2044 N CYS A 133 3.324 -19.222 4.937 1.00 0.00 N ATOM 2045 CA CYS A 133 2.099 -19.321 5.722 1.00 0.00 C ATOM 2046 C CYS A 133 2.382 -19.891 7.109 1.00 0.00 C ATOM 2047 O CYS A 133 1.465 -20.111 7.899 1.00 0.00 O ATOM 2048 CB CYS A 133 1.077 -20.199 4.997 1.00 0.00 C ATOM 2049 SG CYS A 133 1.777 -21.726 4.289 1.00 0.00 S ATOM 0 H CYS A 133 3.502 -20.023 4.332 1.00 0.00 H new ATOM 0 HA CYS A 133 1.691 -18.317 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 133 0.283 -20.465 5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 133 0.617 -19.618 4.198 1.00 0.00 H new ATOM 2054 N THR A 134 3.659 -20.126 7.397 1.00 0.00 N ATOM 2055 CA THR A 134 4.064 -20.669 8.689 1.00 0.00 C ATOM 2056 C THR A 134 5.231 -19.875 9.271 1.00 0.00 C ATOM 2057 O THR A 134 6.236 -19.648 8.596 1.00 0.00 O ATOM 2058 CB THR A 134 4.454 -22.142 8.547 1.00 0.00 C ATOM 2059 OG1 THR A 134 5.094 -22.606 9.723 1.00 0.00 O ATOM 2060 CG2 THR A 134 5.383 -22.408 7.382 1.00 0.00 C ATOM 0 H THR A 134 4.430 -19.949 6.753 1.00 0.00 H new ATOM 0 HA THR A 134 3.217 -20.589 9.371 1.00 0.00 H new ATOM 0 HB THR A 134 3.518 -22.672 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 134 5.334 -23.550 9.614 1.00 0.00 H new ATOM 0 HG21 THR A 134 5.619 -23.471 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 134 4.898 -22.107 6.454 1.00 0.00 H new ATOM 0 HG23 THR A 134 6.302 -21.837 7.512 1.00 0.00 H new ATOM 2068 N PRO A 135 5.116 -19.439 10.540 1.00 0.00 N ATOM 2069 CA PRO A 135 6.168 -18.668 11.208 1.00 0.00 C ATOM 2070 C PRO A 135 7.384 -19.524 11.554 1.00 0.00 C ATOM 2071 O PRO A 135 7.284 -20.471 12.334 1.00 0.00 O ATOM 2072 CB PRO A 135 5.486 -18.169 12.482 1.00 0.00 C ATOM 2073 CG PRO A 135 4.426 -19.177 12.761 1.00 0.00 C ATOM 2074 CD PRO A 135 3.951 -19.664 11.419 1.00 0.00 C ATOM 0 HA PRO A 135 6.554 -17.870 10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 135 6.193 -18.098 13.308 1.00 0.00 H new ATOM 0 HB3 PRO A 135 5.061 -17.175 12.341 1.00 0.00 H new ATOM 0 HG2 PRO A 135 4.818 -20.000 13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 135 3.607 -18.735 13.328 1.00 0.00 H new ATOM 0 HD2 PRO A 135 3.669 -20.716 11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 135 3.077 -19.110 11.077 1.00 0.00 H new ATOM 2082 N PRO A 136 8.556 -19.202 10.977 1.00 0.00 N ATOM 2083 CA PRO A 136 9.792 -19.948 11.231 1.00 0.00 C ATOM 2084 C PRO A 136 10.341 -19.701 12.633 1.00 0.00 C ATOM 2085 O PRO A 136 11.327 -20.316 13.041 1.00 0.00 O ATOM 2086 CB PRO A 136 10.759 -19.404 10.177 1.00 0.00 C ATOM 2087 CG PRO A 136 10.264 -18.029 9.887 1.00 0.00 C ATOM 2088 CD PRO A 136 8.768 -18.086 10.033 1.00 0.00 C ATOM 0 HA PRO A 136 9.636 -21.025 11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 136 11.783 -19.386 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 136 10.757 -20.023 9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 136 10.696 -17.305 10.578 1.00 0.00 H new ATOM 0 HG3 PRO A 136 10.546 -17.717 8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 136 8.367 -17.150 10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 136 8.278 -18.270 9.077 1.00 0.00 H new ATOM 2096 N ALA A 137 9.693 -18.798 13.364 1.00 0.00 N ATOM 2097 CA ALA A 137 10.110 -18.465 14.723 1.00 0.00 C ATOM 2098 C ALA A 137 11.551 -17.963 14.752 1.00 0.00 C ATOM 2099 O ALA A 137 12.141 -17.680 13.708 1.00 0.00 O ATOM 2100 CB ALA A 137 9.949 -19.671 15.636 1.00 0.00 C ATOM 0 H ALA A 137 8.876 -18.283 13.037 1.00 0.00 H new ATOM 0 HA ALA A 137 9.468 -17.662 15.085 1.00 0.00 H new ATOM 0 HB1 ALA A 137 10.264 -19.408 16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 137 8.904 -19.979 15.651 1.00 0.00 H new ATOM 0 HB3 ALA A 137 10.564 -20.492 15.267 1.00 0.00 H new ATOM 2106 N SER A 138 12.110 -17.853 15.953 1.00 0.00 N ATOM 2107 CA SER A 138 13.481 -17.385 16.119 1.00 0.00 C ATOM 2108 C SER A 138 14.478 -18.458 15.692 1.00 0.00 C ATOM 2109 O SER A 138 14.117 -19.623 15.524 1.00 0.00 O ATOM 2110 CB SER A 138 13.734 -16.987 17.574 1.00 0.00 C ATOM 2111 OG SER A 138 12.514 -16.824 18.277 1.00 0.00 O ATOM 0 H SER A 138 11.634 -18.082 16.826 1.00 0.00 H new ATOM 0 HA SER A 138 13.620 -16.512 15.482 1.00 0.00 H new ATOM 0 HB2 SER A 138 14.340 -17.750 18.063 1.00 0.00 H new ATOM 0 HB3 SER A 138 14.303 -16.058 17.607 1.00 0.00 H new ATOM 0 HG SER A 138 12.702 -16.571 19.205 1.00 0.00 H new ATOM 2117 N GLU A 139 15.733 -18.056 15.520 1.00 0.00 N ATOM 2118 CA GLU A 139 16.784 -18.983 15.114 1.00 0.00 C ATOM 2119 C GLU A 139 18.155 -18.476 15.552 1.00 0.00 C ATOM 2120 O GLU A 139 18.850 -19.132 16.327 1.00 0.00 O ATOM 2121 CB GLU A 139 16.762 -19.178 13.597 1.00 0.00 C ATOM 2122 CG GLU A 139 16.852 -20.635 13.171 1.00 0.00 C ATOM 2123 CD GLU A 139 18.113 -20.934 12.382 1.00 0.00 C ATOM 2124 OE1 GLU A 139 19.217 -20.729 12.929 1.00 0.00 O ATOM 2125 OE2 GLU A 139 17.996 -21.373 11.219 1.00 0.00 O ATOM 0 H GLU A 139 16.047 -17.095 15.655 1.00 0.00 H new ATOM 0 HA GLU A 139 16.597 -19.941 15.600 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.845 -18.747 13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 139 17.592 -18.627 13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.822 -21.271 14.056 1.00 0.00 H new ATOM 0 HG3 GLU A 139 15.981 -20.888 12.567 1.00 0.00 H new ATOM 2132 N GLY A 140 18.535 -17.305 15.051 1.00 0.00 N ATOM 2133 CA GLY A 140 19.821 -16.729 15.401 1.00 0.00 C ATOM 2134 C GLY A 140 19.757 -15.223 15.558 1.00 0.00 C ATOM 2135 O GLY A 140 20.477 -14.647 16.374 1.00 0.00 O ATOM 0 H GLY A 140 17.975 -16.744 14.409 1.00 0.00 H new ATOM 0 HA2 GLY A 140 20.174 -17.174 16.331 1.00 0.00 H new ATOM 0 HA3 GLY A 140 20.550 -16.980 14.631 1.00 0.00 H new ATOM 2139 N SER A 141 18.890 -14.586 14.774 1.00 0.00 N ATOM 2140 CA SER A 141 18.727 -13.135 14.822 1.00 0.00 C ATOM 2141 C SER A 141 20.040 -12.424 14.502 1.00 0.00 C ATOM 2142 O SER A 141 20.328 -12.129 13.341 1.00 0.00 O ATOM 2143 CB SER A 141 18.213 -12.701 16.197 1.00 0.00 C ATOM 2144 OG SER A 141 16.856 -13.069 16.374 1.00 0.00 O ATOM 0 H SER A 141 18.288 -15.054 14.096 1.00 0.00 H new ATOM 0 HA SER A 141 17.994 -12.854 14.066 1.00 0.00 H new ATOM 0 HB2 SER A 141 18.822 -13.158 16.977 1.00 0.00 H new ATOM 0 HB3 SER A 141 18.317 -11.621 16.303 1.00 0.00 H new ATOM 0 HG SER A 141 16.552 -12.782 17.260 1.00 0.00 H new ATOM 2150 N ALA A 142 20.831 -12.151 15.535 1.00 0.00 N ATOM 2151 CA ALA A 142 22.111 -11.475 15.360 1.00 0.00 C ATOM 2152 C ALA A 142 23.261 -12.476 15.325 1.00 0.00 C ATOM 2153 O ALA A 142 24.088 -12.519 16.237 1.00 0.00 O ATOM 2154 CB ALA A 142 22.325 -10.456 16.469 1.00 0.00 C ATOM 0 H ALA A 142 20.608 -12.388 16.502 1.00 0.00 H new ATOM 0 HA ALA A 142 22.091 -10.954 14.403 1.00 0.00 H new ATOM 0 HB1 ALA A 142 23.284 -9.959 16.326 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.525 -9.716 16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 142 22.319 -10.962 17.434 1.00 0.00 H new ATOM 2160 N GLU A 143 23.306 -13.281 14.269 1.00 0.00 N ATOM 2161 CA GLU A 143 24.354 -14.285 14.114 1.00 0.00 C ATOM 2162 C GLU A 143 25.542 -13.716 13.346 1.00 0.00 C ATOM 2163 O GLU A 143 25.345 -13.277 12.193 1.00 0.00 O ATOM 2164 CB GLU A 143 23.807 -15.517 13.392 1.00 0.00 C ATOM 2165 CG GLU A 143 23.374 -16.630 14.332 1.00 0.00 C ATOM 2166 CD GLU A 143 24.544 -17.436 14.860 1.00 0.00 C ATOM 2167 OE1 GLU A 143 25.292 -18.005 14.038 1.00 0.00 O ATOM 2168 OE2 GLU A 143 24.712 -17.498 16.096 1.00 0.00 O ATOM 2169 OXT GLU A 143 26.659 -13.713 13.904 1.00 0.00 O ATOM 0 H GLU A 143 22.629 -13.258 13.507 1.00 0.00 H new ATOM 0 HA GLU A 143 24.693 -14.577 15.108 1.00 0.00 H new ATOM 0 HB2 GLU A 143 22.957 -15.220 12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 143 24.571 -15.901 12.716 1.00 0.00 H new ATOM 0 HG2 GLU A 143 22.826 -16.200 15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 143 22.686 -17.295 13.809 1.00 0.00 H new TER 2176 GLU A 143