USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1070 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 133 HIS : no HD1:sc= 0.569 K(o=0.57,f=-5.1!) USER MOD Set 2.1: A 57 CYS SG : rot -160:sc= 1.08 USER MOD Set 2.2: A 68 CYS SG : rot -93:sc= 1.37 USER MOD Set 2.3: A 80 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 30 GLN : amide:sc= 0.774 K(o=-1.1,f=-3.1) USER MOD Set 3.2: A 38 HIS : no HE2:sc= -1.9! C(o=-1.1!,f=-8.1!) USER MOD Single : A 1 TYR N :NH3+ 149:sc= 0.302 (180deg=0.0967) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 8 CYS SG : rot -3:sc= 0.0773 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.014 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 140:sc= -0.118 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.0598 (180deg=-0.412) USER MOD Single : A 25 SER OG : rot -28:sc= 0.389 USER MOD Single : A 29 CYS SG : rot -130:sc= -1.92! USER MOD Single : A 34 SER OG : rot 179:sc= -2.32! USER MOD Single : A 35 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.53) USER MOD Single : A 36 SER OG : rot 180:sc=0.000291 USER MOD Single : A 40 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.2!) USER MOD Single : A 42 TYR OH : rot 60:sc= -0.0636 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 2.38 (180deg=2.35) USER MOD Single : A 49 ASN : amide:sc= 0.0209 K(o=0.021,f=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.09) USER MOD Single : A 51 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.95) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.11 K(o=0.11,f=-4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0713 K(o=-0.071,f=-9.1!) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.235 K(o=-0.24,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= 1.26 (180deg=0.453) USER MOD Single : A 85 CYS SG : rot 56:sc= 0.219 USER MOD Single : B 102 SER OG : rot 140:sc= 0.197 USER MOD Single : B 105 LYS NZ :NH3+ -163:sc= 2.49 (180deg=2.39) USER MOD Single : B 107 THR OG1 : rot -95:sc= 1.4 USER MOD Single : B 113 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.11) USER MOD Single : B 116 LYS NZ :NH3+ -177:sc= 1.34 (180deg=1.28) USER MOD Single : B 117 ASN : amide:sc= -0.475 K(o=-0.47,f=-2.3) USER MOD Single : B 129 LYS NZ :NH3+ 173:sc= 0.788 (180deg=0.692!) USER MOD Single : B 130 SER OG : rot -48:sc= 1.3 USER MOD Single : B 135 HIS : no HD1:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : B 137 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.25) USER MOD Single : B 138 LYS NZ :NH3+ -167:sc= -0.0144 (180deg=-0.183) USER MOD Single : B 143 LYS NZ :NH3+ 173:sc= 3.13 (180deg=2.92) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -20.517 6.765 -13.520 1.00 15.00 N ATOM 2 CA TYR A 1 -21.841 7.039 -14.135 1.00 15.00 C ATOM 3 C TYR A 1 -22.482 8.261 -13.485 1.00 15.00 C ATOM 4 O TYR A 1 -22.487 9.349 -14.054 1.00 15.00 O ATOM 5 CB TYR A 1 -22.768 5.824 -13.996 1.00 15.00 C ATOM 6 CG TYR A 1 -22.174 4.536 -14.516 1.00 15.00 C ATOM 7 CD1 TYR A 1 -21.885 4.372 -15.864 1.00 15.00 C ATOM 8 CD2 TYR A 1 -21.899 3.482 -13.657 1.00 15.00 C ATOM 9 CE1 TYR A 1 -21.339 3.196 -16.340 1.00 15.00 C ATOM 10 CE2 TYR A 1 -21.354 2.304 -14.124 1.00 15.00 C ATOM 11 CZ TYR A 1 -21.075 2.164 -15.464 1.00 15.00 C ATOM 12 OH TYR A 1 -20.525 0.991 -15.927 1.00 15.00 O ATOM 0 H1 TYR A 1 -20.328 5.743 -13.544 1.00 15.00 H new ATOM 0 H2 TYR A 1 -19.777 7.266 -14.052 1.00 15.00 H new ATOM 0 H3 TYR A 1 -20.518 7.094 -12.533 1.00 15.00 H new ATOM 0 HA TYR A 1 -21.689 7.239 -15.196 1.00 15.00 H new ATOM 0 HB2 TYR A 1 -23.026 5.695 -12.945 1.00 15.00 H new ATOM 0 HB3 TYR A 1 -23.697 6.025 -14.530 1.00 15.00 H new ATOM 0 HD1 TYR A 1 -22.091 5.178 -16.553 1.00 15.00 H new ATOM 0 HD2 TYR A 1 -22.115 3.586 -12.604 1.00 15.00 H new ATOM 0 HE1 TYR A 1 -21.120 3.085 -17.392 1.00 15.00 H new ATOM 0 HE2 TYR A 1 -21.147 1.494 -13.440 1.00 15.00 H new ATOM 0 HH TYR A 1 -20.402 0.370 -15.179 1.00 15.00 H new ATOM 24 N VAL A 2 -23.021 8.074 -12.290 1.00 15.00 N ATOM 25 CA VAL A 2 -23.658 9.162 -11.555 1.00 15.00 C ATOM 26 C VAL A 2 -22.845 9.501 -10.310 1.00 15.00 C ATOM 27 O VAL A 2 -22.085 8.671 -9.811 1.00 15.00 O ATOM 28 CB VAL A 2 -25.108 8.810 -11.153 1.00 15.00 C ATOM 29 CG1 VAL A 2 -26.032 8.910 -12.359 1.00 15.00 C ATOM 30 CG2 VAL A 2 -25.174 7.420 -10.533 1.00 15.00 C ATOM 0 H VAL A 2 -23.031 7.177 -11.805 1.00 15.00 H new ATOM 0 HA VAL A 2 -23.694 10.028 -12.216 1.00 15.00 H new ATOM 0 HB VAL A 2 -25.442 9.528 -10.404 1.00 15.00 H new ATOM 0 HG11 VAL A 2 -27.050 8.659 -12.060 1.00 15.00 H new ATOM 0 HG12 VAL A 2 -26.009 9.927 -12.751 1.00 15.00 H new ATOM 0 HG13 VAL A 2 -25.699 8.216 -13.131 1.00 15.00 H new ATOM 0 HG21 VAL A 2 -26.204 7.193 -10.258 1.00 15.00 H new ATOM 0 HG22 VAL A 2 -24.820 6.683 -11.254 1.00 15.00 H new ATOM 0 HG23 VAL A 2 -24.545 7.388 -9.643 1.00 15.00 H new ATOM 40 N GLU A 3 -22.998 10.720 -9.815 1.00 15.00 N ATOM 41 CA GLU A 3 -22.262 11.162 -8.640 1.00 15.00 C ATOM 42 C GLU A 3 -22.949 10.695 -7.362 1.00 15.00 C ATOM 43 O GLU A 3 -22.311 10.545 -6.320 1.00 15.00 O ATOM 44 CB GLU A 3 -22.128 12.682 -8.637 1.00 15.00 C ATOM 45 CG GLU A 3 -20.787 13.161 -8.114 1.00 15.00 C ATOM 46 CD GLU A 3 -19.647 12.842 -9.058 1.00 15.00 C ATOM 47 OE1 GLU A 3 -19.062 13.788 -9.626 1.00 15.00 O ATOM 48 OE2 GLU A 3 -19.328 11.652 -9.240 1.00 15.00 O1- ATOM 0 H GLU A 3 -23.625 11.421 -10.209 1.00 15.00 H new ATOM 0 HA GLU A 3 -21.267 10.720 -8.678 1.00 15.00 H new ATOM 0 HB2 GLU A 3 -22.270 13.055 -9.651 1.00 15.00 H new ATOM 0 HB3 GLU A 3 -22.923 13.109 -8.026 1.00 15.00 H new ATOM 0 HG2 GLU A 3 -20.828 14.238 -7.951 1.00 15.00 H new ATOM 0 HG3 GLU A 3 -20.593 12.699 -7.146 1.00 15.00 H new ATOM 55 N PHE A 4 -24.252 10.480 -7.443 1.00 15.00 N ATOM 56 CA PHE A 4 -25.022 10.024 -6.298 1.00 15.00 C ATOM 57 C PHE A 4 -25.267 8.523 -6.397 1.00 15.00 C ATOM 58 O PHE A 4 -25.931 8.054 -7.321 1.00 15.00 O ATOM 59 CB PHE A 4 -26.351 10.783 -6.218 1.00 15.00 C ATOM 60 CG PHE A 4 -26.205 12.198 -5.724 1.00 15.00 C ATOM 61 CD1 PHE A 4 -26.195 12.474 -4.366 1.00 15.00 C ATOM 62 CD2 PHE A 4 -26.073 13.250 -6.617 1.00 15.00 C ATOM 63 CE1 PHE A 4 -26.056 13.771 -3.908 1.00 15.00 C ATOM 64 CE2 PHE A 4 -25.935 14.549 -6.165 1.00 15.00 C ATOM 65 CZ PHE A 4 -25.927 14.809 -4.808 1.00 15.00 C ATOM 0 H PHE A 4 -24.800 10.615 -8.293 1.00 15.00 H new ATOM 0 HA PHE A 4 -24.456 10.224 -5.388 1.00 15.00 H new ATOM 0 HB2 PHE A 4 -26.812 10.797 -7.205 1.00 15.00 H new ATOM 0 HB3 PHE A 4 -27.029 10.244 -5.557 1.00 15.00 H new ATOM 0 HD1 PHE A 4 -26.297 11.666 -3.657 1.00 15.00 H new ATOM 0 HD2 PHE A 4 -26.078 13.052 -7.679 1.00 15.00 H new ATOM 0 HE1 PHE A 4 -26.048 13.972 -2.847 1.00 15.00 H new ATOM 0 HE2 PHE A 4 -25.834 15.360 -6.872 1.00 15.00 H new ATOM 0 HZ PHE A 4 -25.820 15.823 -4.452 1.00 15.00 H new ATOM 75 N SER A 5 -24.699 7.768 -5.466 1.00 15.00 N ATOM 76 CA SER A 5 -24.859 6.318 -5.446 1.00 15.00 C ATOM 77 C SER A 5 -24.811 5.800 -4.010 1.00 15.00 C ATOM 78 O SER A 5 -23.815 5.986 -3.308 1.00 15.00 O ATOM 79 CB SER A 5 -23.766 5.652 -6.287 1.00 15.00 C ATOM 80 OG SER A 5 -23.719 6.199 -7.595 1.00 15.00 O ATOM 0 H SER A 5 -24.121 8.137 -4.711 1.00 15.00 H new ATOM 0 HA SER A 5 -25.830 6.068 -5.875 1.00 15.00 H new ATOM 0 HB2 SER A 5 -22.799 5.783 -5.801 1.00 15.00 H new ATOM 0 HB3 SER A 5 -23.951 4.579 -6.345 1.00 15.00 H new ATOM 0 HG SER A 5 -23.012 5.757 -8.109 1.00 15.00 H new ATOM 86 N GLU A 6 -25.892 5.158 -3.579 1.00 15.00 N ATOM 87 CA GLU A 6 -25.977 4.625 -2.225 1.00 15.00 C ATOM 88 C GLU A 6 -25.366 3.227 -2.152 1.00 15.00 C ATOM 89 O GLU A 6 -25.655 2.368 -2.996 1.00 15.00 O ATOM 90 CB GLU A 6 -27.435 4.591 -1.765 1.00 15.00 C ATOM 91 CG GLU A 6 -27.604 4.235 -0.299 1.00 15.00 C ATOM 92 CD GLU A 6 -26.876 5.193 0.617 1.00 15.00 C ATOM 93 OE1 GLU A 6 -25.735 4.885 1.017 1.00 15.00 O ATOM 94 OE2 GLU A 6 -27.438 6.260 0.940 1.00 15.00 O1- ATOM 0 H GLU A 6 -26.722 4.994 -4.149 1.00 15.00 H new ATOM 0 HA GLU A 6 -25.411 5.279 -1.562 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.887 5.566 -1.948 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -27.981 3.868 -2.371 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -28.665 4.233 -0.049 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -27.235 3.224 -0.129 1.00 15.00 H new ATOM 101 N GLU A 7 -24.524 3.005 -1.149 1.00 15.00 N ATOM 102 CA GLU A 7 -23.867 1.718 -0.966 1.00 15.00 C ATOM 103 C GLU A 7 -23.211 1.624 0.407 1.00 15.00 C ATOM 104 O GLU A 7 -22.896 2.641 1.027 1.00 15.00 O ATOM 105 CB GLU A 7 -22.817 1.491 -2.059 1.00 15.00 C ATOM 106 CG GLU A 7 -21.949 2.707 -2.340 1.00 15.00 C ATOM 107 CD GLU A 7 -21.169 2.576 -3.631 1.00 15.00 C ATOM 108 OE1 GLU A 7 -19.933 2.745 -3.606 1.00 15.00 O ATOM 109 OE2 GLU A 7 -21.789 2.290 -4.679 1.00 15.00 O1- ATOM 0 H GLU A 7 -24.280 3.704 -0.447 1.00 15.00 H new ATOM 0 HA GLU A 7 -24.631 0.943 -1.037 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -22.176 0.659 -1.767 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.322 1.197 -2.979 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -22.578 3.596 -2.388 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -21.254 2.853 -1.513 1.00 15.00 H new ATOM 116 N CYS A 8 -23.020 0.394 0.873 1.00 15.00 N ATOM 117 CA CYS A 8 -22.398 0.141 2.167 1.00 15.00 C ATOM 118 C CYS A 8 -21.517 -1.102 2.089 1.00 15.00 C ATOM 119 O CYS A 8 -21.898 -2.106 1.482 1.00 15.00 O ATOM 120 CB CYS A 8 -23.465 -0.030 3.249 1.00 15.00 C ATOM 121 SG CYS A 8 -24.489 1.440 3.498 1.00 15.00 S ATOM 0 H CYS A 8 -23.290 -0.450 0.368 1.00 15.00 H new ATOM 0 HA CYS A 8 -21.776 0.997 2.430 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -24.108 -0.869 2.984 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -22.978 -0.287 4.190 1.00 15.00 H new ATOM 0 HG CYS A 8 -24.063 2.400 2.732 1.00 15.00 H new ATOM 127 N MET A 9 -20.341 -1.028 2.696 1.00 15.00 N ATOM 128 CA MET A 9 -19.392 -2.138 2.675 1.00 15.00 C ATOM 129 C MET A 9 -19.124 -2.671 4.077 1.00 15.00 C ATOM 130 O MET A 9 -19.541 -2.077 5.076 1.00 15.00 O ATOM 131 CB MET A 9 -18.074 -1.704 2.027 1.00 15.00 C ATOM 132 CG MET A 9 -18.250 -1.019 0.681 1.00 15.00 C ATOM 133 SD MET A 9 -18.880 -2.116 -0.605 1.00 15.00 S ATOM 134 CE MET A 9 -19.067 -0.960 -1.965 1.00 15.00 C ATOM 0 H MET A 9 -20.018 -0.209 3.211 1.00 15.00 H new ATOM 0 HA MET A 9 -19.838 -2.938 2.085 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.553 -1.027 2.704 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.437 -2.579 1.899 1.00 15.00 H new ATOM 0 HG2 MET A 9 -18.933 -0.177 0.797 1.00 15.00 H new ATOM 0 HG3 MET A 9 -17.291 -0.610 0.362 1.00 15.00 H new ATOM 0 HE1 MET A 9 -19.450 -1.486 -2.840 1.00 15.00 H new ATOM 0 HE2 MET A 9 -19.765 -0.173 -1.680 1.00 15.00 H new ATOM 0 HE3 MET A 9 -18.099 -0.518 -2.202 1.00 15.00 H new ATOM 144 N HIS A 10 -18.458 -3.820 4.132 1.00 15.00 N ATOM 145 CA HIS A 10 -18.102 -4.461 5.396 1.00 15.00 C ATOM 146 C HIS A 10 -17.095 -3.606 6.167 1.00 15.00 C ATOM 147 O HIS A 10 -16.334 -2.849 5.566 1.00 15.00 O ATOM 148 CB HIS A 10 -17.514 -5.851 5.132 1.00 15.00 C ATOM 149 CG HIS A 10 -17.714 -6.816 6.261 1.00 15.00 C ATOM 150 ND1 HIS A 10 -18.587 -7.871 6.153 1.00 15.00 N ATOM 151 CD2 HIS A 10 -17.123 -6.855 7.478 1.00 15.00 C ATOM 152 CE1 HIS A 10 -18.511 -8.524 7.302 1.00 15.00 C ATOM 153 NE2 HIS A 10 -17.640 -7.942 8.132 1.00 15.00 N ATOM 0 H HIS A 10 -18.150 -4.333 3.306 1.00 15.00 H new ATOM 0 HA HIS A 10 -19.004 -4.563 5.999 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -17.968 -6.262 4.230 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -16.446 -5.752 4.935 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -16.387 -6.163 7.860 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -19.079 -9.412 7.538 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -17.404 -8.250 9.076 1.00 15.00 H new ATOM 161 N GLY A 11 -17.119 -3.723 7.494 1.00 15.00 N ATOM 162 CA GLY A 11 -16.226 -2.958 8.356 1.00 15.00 C ATOM 163 C GLY A 11 -14.773 -2.972 7.918 1.00 15.00 C ATOM 164 O GLY A 11 -14.229 -1.932 7.550 1.00 15.00 O ATOM 0 H GLY A 11 -17.753 -4.345 7.996 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.572 -1.925 8.393 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -16.292 -3.353 9.370 1.00 15.00 H new ATOM 168 N SER A 12 -14.139 -4.142 7.966 1.00 15.00 N ATOM 169 CA SER A 12 -12.737 -4.263 7.573 1.00 15.00 C ATOM 170 C SER A 12 -12.565 -4.042 6.070 1.00 15.00 C ATOM 171 O SER A 12 -11.638 -3.361 5.632 1.00 15.00 O ATOM 172 CB SER A 12 -12.197 -5.639 7.969 1.00 15.00 C ATOM 173 OG SER A 12 -12.577 -5.971 9.295 1.00 15.00 O ATOM 0 H SER A 12 -14.571 -5.014 8.271 1.00 15.00 H new ATOM 0 HA SER A 12 -12.170 -3.492 8.095 1.00 15.00 H new ATOM 0 HB2 SER A 12 -12.574 -6.394 7.279 1.00 15.00 H new ATOM 0 HB3 SER A 12 -11.110 -5.645 7.886 1.00 15.00 H new ATOM 0 HG SER A 12 -12.222 -6.855 9.525 1.00 15.00 H new ATOM 179 N GLY A 13 -13.464 -4.625 5.286 1.00 15.00 N ATOM 180 CA GLY A 13 -13.400 -4.474 3.848 1.00 15.00 C ATOM 181 C GLY A 13 -12.260 -5.255 3.222 1.00 15.00 C ATOM 182 O GLY A 13 -11.697 -4.839 2.212 1.00 15.00 O ATOM 0 H GLY A 13 -14.236 -5.200 5.623 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -14.343 -4.804 3.411 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -13.287 -3.418 3.603 1.00 15.00 H new ATOM 186 N GLU A 14 -11.915 -6.388 3.817 1.00 15.00 N ATOM 187 CA GLU A 14 -10.843 -7.218 3.288 1.00 15.00 C ATOM 188 C GLU A 14 -11.336 -7.975 2.064 1.00 15.00 C ATOM 189 O GLU A 14 -10.586 -8.224 1.120 1.00 15.00 O ATOM 190 CB GLU A 14 -10.338 -8.197 4.350 1.00 15.00 C ATOM 191 CG GLU A 14 -9.198 -9.080 3.866 1.00 15.00 C ATOM 192 CD GLU A 14 -9.570 -10.548 3.806 1.00 15.00 C ATOM 193 OE1 GLU A 14 -8.750 -11.389 4.231 1.00 15.00 O ATOM 194 OE2 GLU A 14 -10.679 -10.873 3.336 1.00 15.00 O1- ATOM 0 H GLU A 14 -12.358 -6.752 4.661 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.012 -6.573 3.000 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -10.007 -7.635 5.223 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -11.165 -8.829 4.673 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -8.885 -8.749 2.876 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -8.342 -8.955 4.529 1.00 15.00 H new ATOM 201 N ASN A 15 -12.616 -8.310 2.080 1.00 15.00 N ATOM 202 CA ASN A 15 -13.236 -9.030 0.976 1.00 15.00 C ATOM 203 C ASN A 15 -13.774 -8.040 -0.052 1.00 15.00 C ATOM 204 O ASN A 15 -14.731 -8.328 -0.773 1.00 15.00 O ATOM 205 CB ASN A 15 -14.368 -9.923 1.494 1.00 15.00 C ATOM 206 CG ASN A 15 -14.404 -11.272 0.803 1.00 15.00 C ATOM 207 OD1 ASN A 15 -14.981 -11.420 -0.276 1.00 15.00 O ATOM 208 ND2 ASN A 15 -13.803 -12.272 1.430 1.00 15.00 N ATOM 0 H ASN A 15 -13.250 -8.094 2.849 1.00 15.00 H new ATOM 0 HA ASN A 15 -12.486 -9.662 0.500 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -14.248 -10.071 2.567 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -15.322 -9.417 1.347 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -13.807 -13.206 1.021 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -13.336 -12.108 2.322 1.00 15.00 H new ATOM 215 N TYR A 16 -13.151 -6.868 -0.103 1.00 15.00 N ATOM 216 CA TYR A 16 -13.552 -5.818 -1.022 1.00 15.00 C ATOM 217 C TYR A 16 -13.264 -6.224 -2.461 1.00 15.00 C ATOM 218 O TYR A 16 -12.110 -6.403 -2.853 1.00 15.00 O ATOM 219 CB TYR A 16 -12.824 -4.513 -0.688 1.00 15.00 C ATOM 220 CG TYR A 16 -13.398 -3.295 -1.377 1.00 15.00 C ATOM 221 CD1 TYR A 16 -14.672 -2.835 -1.069 1.00 15.00 C ATOM 222 CD2 TYR A 16 -12.661 -2.600 -2.326 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.196 -1.716 -1.691 1.00 15.00 C ATOM 224 CE2 TYR A 16 -13.177 -1.482 -2.952 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.445 -1.044 -2.629 1.00 15.00 C ATOM 226 OH TYR A 16 -14.964 0.072 -3.247 1.00 15.00 O ATOM 0 H TYR A 16 -12.358 -6.623 0.490 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.625 -5.661 -0.915 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -12.856 -4.357 0.390 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -11.774 -4.613 -0.964 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -15.263 -3.359 -0.332 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -11.667 -2.939 -2.579 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.189 -1.371 -1.442 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.591 -0.954 -3.690 1.00 15.00 H new ATOM 0 HH TYR A 16 -14.308 0.430 -3.881 1.00 15.00 H new ATOM 236 N ASP A 17 -14.322 -6.380 -3.237 1.00 15.00 N ATOM 237 CA ASP A 17 -14.198 -6.755 -4.636 1.00 15.00 C ATOM 238 C ASP A 17 -14.618 -5.593 -5.521 1.00 15.00 C ATOM 239 O ASP A 17 -14.932 -5.768 -6.698 1.00 15.00 O ATOM 240 CB ASP A 17 -15.056 -7.982 -4.943 1.00 15.00 C ATOM 241 CG ASP A 17 -14.240 -9.119 -5.515 1.00 15.00 C ATOM 242 OD1 ASP A 17 -13.909 -10.056 -4.758 1.00 15.00 O ATOM 243 OD2 ASP A 17 -13.926 -9.084 -6.723 1.00 15.00 O1- ATOM 0 H ASP A 17 -15.283 -6.252 -2.920 1.00 15.00 H new ATOM 0 HA ASP A 17 -13.156 -7.003 -4.838 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -15.551 -8.315 -4.031 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -15.840 -7.708 -5.649 1.00 15.00 H new ATOM 248 N GLY A 18 -14.612 -4.403 -4.934 1.00 15.00 N ATOM 249 CA GLY A 18 -15.000 -3.208 -5.652 1.00 15.00 C ATOM 250 C GLY A 18 -13.992 -2.796 -6.704 1.00 15.00 C ATOM 251 O GLY A 18 -12.844 -3.253 -6.698 1.00 15.00 O ATOM 0 H GLY A 18 -14.342 -4.245 -3.963 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -15.966 -3.375 -6.128 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.131 -2.391 -4.943 1.00 15.00 H new ATOM 255 N LYS A 19 -14.423 -1.919 -7.600 1.00 15.00 N ATOM 256 CA LYS A 19 -13.580 -1.436 -8.679 1.00 15.00 C ATOM 257 C LYS A 19 -13.272 0.044 -8.496 1.00 15.00 C ATOM 258 O LYS A 19 -14.137 0.898 -8.690 1.00 15.00 O ATOM 259 CB LYS A 19 -14.268 -1.664 -10.028 1.00 15.00 C ATOM 260 CG LYS A 19 -14.603 -3.121 -10.304 1.00 15.00 C ATOM 261 CD LYS A 19 -15.896 -3.261 -11.089 1.00 15.00 C ATOM 262 CE LYS A 19 -15.746 -2.785 -12.527 1.00 15.00 C ATOM 263 NZ LYS A 19 -16.991 -2.991 -13.308 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.364 -1.525 -7.598 1.00 15.00 H new ATOM 0 HA LYS A 19 -12.642 -1.992 -8.659 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -15.186 -1.077 -10.062 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -13.622 -1.292 -10.823 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -13.788 -3.583 -10.861 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -14.690 -3.660 -9.360 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -16.212 -4.304 -11.084 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -16.682 -2.688 -10.598 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -15.483 -1.727 -12.534 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -14.925 -3.321 -13.004 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -16.850 -2.655 -14.282 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -17.228 -4.003 -13.322 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -17.769 -2.459 -12.868 1.00 15.00 H new ATOM 277 N ILE A 20 -12.044 0.339 -8.099 1.00 15.00 N ATOM 278 CA ILE A 20 -11.611 1.710 -7.898 1.00 15.00 C ATOM 279 C ILE A 20 -10.094 1.798 -8.057 1.00 15.00 C ATOM 280 O ILE A 20 -9.344 1.047 -7.426 1.00 15.00 O ATOM 281 CB ILE A 20 -12.063 2.255 -6.515 1.00 15.00 C ATOM 282 CG1 ILE A 20 -11.650 3.720 -6.348 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.510 1.403 -5.378 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.316 4.409 -5.174 1.00 15.00 C ATOM 0 H ILE A 20 -11.326 -0.360 -7.909 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.083 2.337 -8.655 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.151 2.199 -6.473 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.568 3.772 -6.223 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -11.891 4.263 -7.262 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -11.844 1.810 -4.423 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -11.870 0.379 -5.482 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.421 1.410 -5.415 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -11.976 5.443 -5.118 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.398 4.390 -5.307 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.054 3.891 -4.252 1.00 15.00 H new ATOM 296 N SER A 21 -9.647 2.697 -8.922 1.00 15.00 N ATOM 297 CA SER A 21 -8.227 2.856 -9.191 1.00 15.00 C ATOM 298 C SER A 21 -7.672 4.135 -8.564 1.00 15.00 C ATOM 299 O SER A 21 -6.507 4.479 -8.767 1.00 15.00 O ATOM 300 CB SER A 21 -7.994 2.869 -10.701 1.00 15.00 C ATOM 301 OG SER A 21 -9.225 2.767 -11.404 1.00 15.00 O ATOM 0 H SER A 21 -10.249 3.328 -9.450 1.00 15.00 H new ATOM 0 HA SER A 21 -7.700 2.015 -8.741 1.00 15.00 H new ATOM 0 HB2 SER A 21 -7.483 3.788 -10.986 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.342 2.041 -10.980 1.00 15.00 H new ATOM 0 HG SER A 21 -9.053 2.779 -12.369 1.00 15.00 H new ATOM 307 N LYS A 22 -8.506 4.850 -7.824 1.00 15.00 N ATOM 308 CA LYS A 22 -8.074 6.080 -7.174 1.00 15.00 C ATOM 309 C LYS A 22 -8.182 5.954 -5.663 1.00 15.00 C ATOM 310 O LYS A 22 -8.985 5.175 -5.151 1.00 15.00 O ATOM 311 CB LYS A 22 -8.899 7.275 -7.669 1.00 15.00 C ATOM 312 CG LYS A 22 -8.353 7.902 -8.943 1.00 15.00 C ATOM 313 CD LYS A 22 -9.197 9.083 -9.397 1.00 15.00 C ATOM 314 CE LYS A 22 -10.535 8.634 -9.968 1.00 15.00 C ATOM 315 NZ LYS A 22 -11.336 9.779 -10.481 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.481 4.602 -7.659 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.029 6.251 -7.434 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -9.925 6.951 -7.844 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -8.933 8.033 -6.886 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -7.327 8.231 -8.776 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -8.322 7.152 -9.733 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -9.368 9.753 -8.555 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -8.652 9.651 -10.151 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -10.364 7.921 -10.775 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.101 8.112 -9.197 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -12.239 9.429 -10.861 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -11.522 10.447 -9.706 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -10.808 10.262 -11.235 1.00 15.00 H new ATOM 329 N THR A 23 -7.352 6.701 -4.955 1.00 15.00 N ATOM 330 CA THR A 23 -7.358 6.682 -3.506 1.00 15.00 C ATOM 331 C THR A 23 -8.326 7.732 -2.964 1.00 15.00 C ATOM 332 O THR A 23 -8.944 8.471 -3.735 1.00 15.00 O ATOM 333 CB THR A 23 -5.946 6.942 -2.951 1.00 15.00 C ATOM 334 OG1 THR A 23 -5.310 7.988 -3.702 1.00 15.00 O ATOM 335 CG2 THR A 23 -5.102 5.680 -3.015 1.00 15.00 C ATOM 0 H THR A 23 -6.662 7.331 -5.365 1.00 15.00 H new ATOM 0 HA THR A 23 -7.685 5.694 -3.183 1.00 15.00 H new ATOM 0 HB THR A 23 -6.037 7.247 -1.909 1.00 15.00 H new ATOM 0 HG1 THR A 23 -4.811 8.571 -3.093 1.00 15.00 H new ATOM 0 HG21 THR A 23 -4.108 5.886 -2.618 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.574 4.896 -2.423 1.00 15.00 H new ATOM 0 HG23 THR A 23 -5.018 5.351 -4.051 1.00 15.00 H new ATOM 343 N MET A 24 -8.441 7.814 -1.641 1.00 15.00 N ATOM 344 CA MET A 24 -9.336 8.783 -1.007 1.00 15.00 C ATOM 345 C MET A 24 -8.868 10.216 -1.259 1.00 15.00 C ATOM 346 O MET A 24 -9.634 11.166 -1.097 1.00 15.00 O ATOM 347 CB MET A 24 -9.440 8.522 0.504 1.00 15.00 C ATOM 348 CG MET A 24 -8.147 8.763 1.276 1.00 15.00 C ATOM 349 SD MET A 24 -7.995 10.453 1.892 1.00 15.00 S ATOM 350 CE MET A 24 -9.243 10.468 3.179 1.00 15.00 C ATOM 0 H MET A 24 -7.928 7.223 -0.987 1.00 15.00 H new ATOM 0 HA MET A 24 -10.323 8.660 -1.454 1.00 15.00 H new ATOM 0 HB2 MET A 24 -10.220 9.161 0.918 1.00 15.00 H new ATOM 0 HB3 MET A 24 -9.756 7.491 0.661 1.00 15.00 H new ATOM 0 HG2 MET A 24 -8.098 8.071 2.116 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.298 8.540 0.630 1.00 15.00 H new ATOM 0 HE1 MET A 24 -9.031 11.273 3.882 1.00 15.00 H new ATOM 0 HE2 MET A 24 -10.225 10.626 2.732 1.00 15.00 H new ATOM 0 HE3 MET A 24 -9.234 9.514 3.706 1.00 15.00 H new ATOM 360 N SER A 25 -7.611 10.362 -1.653 1.00 15.00 N ATOM 361 CA SER A 25 -7.039 11.671 -1.923 1.00 15.00 C ATOM 362 C SER A 25 -7.165 12.040 -3.403 1.00 15.00 C ATOM 363 O SER A 25 -6.835 13.154 -3.804 1.00 15.00 O ATOM 364 CB SER A 25 -5.573 11.675 -1.491 1.00 15.00 C ATOM 365 OG SER A 25 -5.422 10.991 -0.257 1.00 15.00 O ATOM 0 H SER A 25 -6.966 9.585 -1.793 1.00 15.00 H new ATOM 0 HA SER A 25 -7.590 12.420 -1.354 1.00 15.00 H new ATOM 0 HB2 SER A 25 -4.960 11.199 -2.256 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.219 12.701 -1.392 1.00 15.00 H new ATOM 0 HG SER A 25 -6.252 11.061 0.259 1.00 15.00 H new ATOM 371 N GLY A 26 -7.641 11.103 -4.211 1.00 15.00 N ATOM 372 CA GLY A 26 -7.799 11.365 -5.631 1.00 15.00 C ATOM 373 C GLY A 26 -6.558 11.025 -6.434 1.00 15.00 C ATOM 374 O GLY A 26 -6.483 11.319 -7.631 1.00 15.00 O ATOM 0 H GLY A 26 -7.920 10.169 -3.912 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -8.641 10.787 -6.011 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.043 12.417 -5.777 1.00 15.00 H new ATOM 378 N LEU A 27 -5.586 10.402 -5.783 1.00 15.00 N ATOM 379 CA LEU A 27 -4.348 10.018 -6.454 1.00 15.00 C ATOM 380 C LEU A 27 -4.533 8.678 -7.157 1.00 15.00 C ATOM 381 O LEU A 27 -5.407 7.890 -6.782 1.00 15.00 O ATOM 382 CB LEU A 27 -3.191 9.940 -5.452 1.00 15.00 C ATOM 383 CG LEU A 27 -2.877 11.242 -4.711 1.00 15.00 C ATOM 384 CD1 LEU A 27 -1.766 11.023 -3.695 1.00 15.00 C ATOM 385 CD2 LEU A 27 -2.493 12.340 -5.693 1.00 15.00 C ATOM 0 H LEU A 27 -5.628 10.152 -4.795 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.104 10.777 -7.197 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -3.421 9.169 -4.716 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.295 9.618 -5.982 1.00 15.00 H new ATOM 0 HG LEU A 27 -3.774 11.557 -4.178 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -1.556 11.959 -3.178 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -2.078 10.271 -2.971 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -0.866 10.682 -4.207 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -2.274 13.257 -5.146 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -1.611 12.033 -6.255 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.319 12.517 -6.382 1.00 15.00 H new ATOM 397 N GLU A 28 -3.714 8.416 -8.164 1.00 15.00 N ATOM 398 CA GLU A 28 -3.816 7.178 -8.926 1.00 15.00 C ATOM 399 C GLU A 28 -3.117 6.021 -8.215 1.00 15.00 C ATOM 400 O GLU A 28 -2.041 6.187 -7.632 1.00 15.00 O ATOM 401 CB GLU A 28 -3.225 7.366 -10.324 1.00 15.00 C ATOM 402 CG GLU A 28 -3.747 8.600 -11.043 1.00 15.00 C ATOM 403 CD GLU A 28 -3.477 8.569 -12.530 1.00 15.00 C ATOM 404 OE1 GLU A 28 -4.439 8.706 -13.314 1.00 15.00 O ATOM 405 OE2 GLU A 28 -2.299 8.400 -12.925 1.00 15.00 O1- ATOM 0 H GLU A 28 -2.971 9.043 -8.474 1.00 15.00 H new ATOM 0 HA GLU A 28 -4.874 6.929 -9.012 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.140 7.433 -10.245 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.447 6.484 -10.925 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -4.821 8.686 -10.875 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -3.285 9.488 -10.613 1.00 15.00 H new ATOM 412 N CYS A 29 -3.744 4.856 -8.262 1.00 15.00 N ATOM 413 CA CYS A 29 -3.199 3.660 -7.642 1.00 15.00 C ATOM 414 C CYS A 29 -2.271 2.929 -8.609 1.00 15.00 C ATOM 415 O CYS A 29 -2.586 2.775 -9.794 1.00 15.00 O ATOM 416 CB CYS A 29 -4.338 2.738 -7.198 1.00 15.00 C ATOM 417 SG CYS A 29 -3.831 1.057 -6.779 1.00 15.00 S ATOM 0 H CYS A 29 -4.640 4.714 -8.728 1.00 15.00 H new ATOM 0 HA CYS A 29 -2.618 3.953 -6.767 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -4.829 3.181 -6.331 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.080 2.691 -7.995 1.00 15.00 H new ATOM 0 HG CYS A 29 -4.592 0.206 -7.402 1.00 15.00 H new ATOM 423 N GLN A 30 -1.127 2.493 -8.097 1.00 15.00 N ATOM 424 CA GLN A 30 -0.142 1.775 -8.892 1.00 15.00 C ATOM 425 C GLN A 30 -0.522 0.301 -8.991 1.00 15.00 C ATOM 426 O GLN A 30 -0.964 -0.299 -8.012 1.00 15.00 O ATOM 427 CB GLN A 30 1.250 1.920 -8.265 1.00 15.00 C ATOM 428 CG GLN A 30 2.351 1.200 -9.033 1.00 15.00 C ATOM 429 CD GLN A 30 3.668 1.170 -8.283 1.00 15.00 C ATOM 430 OE1 GLN A 30 3.984 2.076 -7.507 1.00 15.00 O ATOM 431 NE2 GLN A 30 4.448 0.124 -8.505 1.00 15.00 N ATOM 0 H GLN A 30 -0.858 2.627 -7.122 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.121 2.201 -9.895 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.499 2.979 -8.199 1.00 15.00 H new ATOM 0 HB3 GLN A 30 1.220 1.535 -7.246 1.00 15.00 H new ATOM 0 HG2 GLN A 30 2.034 0.178 -9.242 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.497 1.691 -9.995 1.00 15.00 H new ATOM 0 HE21 GLN A 30 4.151 -0.605 -9.154 1.00 15.00 H new ATOM 0 HE22 GLN A 30 5.346 0.047 -8.027 1.00 15.00 H new ATOM 440 N ALA A 31 -0.367 -0.269 -10.178 1.00 15.00 N ATOM 441 CA ALA A 31 -0.695 -1.672 -10.393 1.00 15.00 C ATOM 442 C ALA A 31 0.225 -2.574 -9.586 1.00 15.00 C ATOM 443 O ALA A 31 1.433 -2.344 -9.512 1.00 15.00 O ATOM 444 CB ALA A 31 -0.629 -2.017 -11.873 1.00 15.00 C ATOM 0 H ALA A 31 -0.017 0.216 -11.004 1.00 15.00 H new ATOM 0 HA ALA A 31 -1.716 -1.839 -10.049 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -0.877 -3.069 -12.013 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.340 -1.400 -12.422 1.00 15.00 H new ATOM 0 HB3 ALA A 31 0.378 -1.829 -12.246 1.00 15.00 H new ATOM 450 N TRP A 32 -0.361 -3.609 -8.999 1.00 15.00 N ATOM 451 CA TRP A 32 0.376 -4.560 -8.177 1.00 15.00 C ATOM 452 C TRP A 32 1.370 -5.357 -9.014 1.00 15.00 C ATOM 453 O TRP A 32 2.326 -5.922 -8.488 1.00 15.00 O ATOM 454 CB TRP A 32 -0.596 -5.516 -7.480 1.00 15.00 C ATOM 455 CG TRP A 32 -1.641 -4.818 -6.657 1.00 15.00 C ATOM 456 CD1 TRP A 32 -2.941 -4.581 -7.009 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.475 -4.273 -5.342 1.00 15.00 C ATOM 458 NE1 TRP A 32 -3.591 -3.920 -5.995 1.00 15.00 N ATOM 459 CE2 TRP A 32 -2.713 -3.718 -4.961 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.402 -4.202 -4.450 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -2.903 -3.097 -3.728 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -0.591 -3.587 -3.228 1.00 15.00 C ATOM 463 CH2 TRP A 32 -1.834 -3.043 -2.876 1.00 15.00 C ATOM 0 H TRP A 32 -1.357 -3.813 -9.079 1.00 15.00 H new ATOM 0 HA TRP A 32 0.932 -3.997 -7.428 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -1.089 -6.131 -8.232 1.00 15.00 H new ATOM 0 HB3 TRP A 32 -0.031 -6.191 -6.837 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.391 -4.871 -7.947 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -4.568 -3.627 -6.009 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.559 -4.621 -4.712 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -3.859 -2.674 -3.455 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 0.232 -3.524 -2.532 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -1.950 -2.571 -1.912 1.00 15.00 H new ATOM 474 N ASP A 33 1.139 -5.405 -10.318 1.00 15.00 N ATOM 475 CA ASP A 33 2.019 -6.139 -11.212 1.00 15.00 C ATOM 476 C ASP A 33 2.937 -5.189 -11.981 1.00 15.00 C ATOM 477 O ASP A 33 3.694 -5.616 -12.856 1.00 15.00 O ATOM 478 CB ASP A 33 1.202 -6.999 -12.180 1.00 15.00 C ATOM 479 CG ASP A 33 0.601 -6.203 -13.321 1.00 15.00 C ATOM 480 OD1 ASP A 33 1.020 -6.413 -14.480 1.00 15.00 O ATOM 481 OD2 ASP A 33 -0.303 -5.380 -13.068 1.00 15.00 O1- ATOM 0 H ASP A 33 0.353 -4.946 -10.778 1.00 15.00 H new ATOM 0 HA ASP A 33 2.645 -6.795 -10.607 1.00 15.00 H new ATOM 0 HB2 ASP A 33 1.841 -7.782 -12.588 1.00 15.00 H new ATOM 0 HB3 ASP A 33 0.402 -7.495 -11.630 1.00 15.00 H new ATOM 486 N SER A 34 2.867 -3.903 -11.656 1.00 15.00 N ATOM 487 CA SER A 34 3.710 -2.908 -12.304 1.00 15.00 C ATOM 488 C SER A 34 4.999 -2.734 -11.519 1.00 15.00 C ATOM 489 O SER A 34 4.971 -2.494 -10.309 1.00 15.00 O ATOM 490 CB SER A 34 2.985 -1.569 -12.422 1.00 15.00 C ATOM 491 OG SER A 34 2.001 -1.609 -13.440 1.00 15.00 O ATOM 0 H SER A 34 2.236 -3.526 -10.949 1.00 15.00 H new ATOM 0 HA SER A 34 3.943 -3.258 -13.310 1.00 15.00 H new ATOM 0 HB2 SER A 34 2.517 -1.320 -11.469 1.00 15.00 H new ATOM 0 HB3 SER A 34 3.705 -0.780 -12.639 1.00 15.00 H new ATOM 0 HG SER A 34 1.540 -0.745 -13.483 1.00 15.00 H new ATOM 497 N GLN A 35 6.124 -2.825 -12.210 1.00 15.00 N ATOM 498 CA GLN A 35 7.419 -2.716 -11.565 1.00 15.00 C ATOM 499 C GLN A 35 7.933 -1.276 -11.533 1.00 15.00 C ATOM 500 O GLN A 35 9.107 -1.023 -11.810 1.00 15.00 O ATOM 501 CB GLN A 35 8.433 -3.644 -12.244 1.00 15.00 C ATOM 502 CG GLN A 35 9.660 -3.954 -11.392 1.00 15.00 C ATOM 503 CD GLN A 35 9.309 -4.452 -10.003 1.00 15.00 C ATOM 504 OE1 GLN A 35 9.217 -3.671 -9.057 1.00 15.00 O ATOM 505 NE2 GLN A 35 9.129 -5.757 -9.862 1.00 15.00 N ATOM 0 H GLN A 35 6.165 -2.974 -13.218 1.00 15.00 H new ATOM 0 HA GLN A 35 7.293 -3.028 -10.528 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.937 -4.580 -12.502 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.759 -3.187 -13.179 1.00 15.00 H new ATOM 0 HG2 GLN A 35 10.266 -4.705 -11.898 1.00 15.00 H new ATOM 0 HG3 GLN A 35 10.272 -3.056 -11.306 1.00 15.00 H new ATOM 0 HE21 GLN A 35 9.213 -6.374 -10.670 1.00 15.00 H new ATOM 0 HE22 GLN A 35 8.906 -6.145 -8.945 1.00 15.00 H new ATOM 514 N SER A 36 7.056 -0.327 -11.217 1.00 15.00 N ATOM 515 CA SER A 36 7.481 1.059 -11.076 1.00 15.00 C ATOM 516 C SER A 36 8.374 1.074 -9.849 1.00 15.00 C ATOM 517 O SER A 36 8.054 0.389 -8.872 1.00 15.00 O ATOM 518 CB SER A 36 6.272 1.976 -10.892 1.00 15.00 C ATOM 519 OG SER A 36 5.226 1.613 -11.780 1.00 15.00 O ATOM 0 H SER A 36 6.062 -0.490 -11.056 1.00 15.00 H new ATOM 0 HA SER A 36 8.006 1.422 -11.960 1.00 15.00 H new ATOM 0 HB2 SER A 36 5.918 1.917 -9.863 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.564 3.011 -11.070 1.00 15.00 H new ATOM 0 HG SER A 36 4.461 2.210 -11.646 1.00 15.00 H new ATOM 525 N PRO A 37 9.498 1.807 -9.833 1.00 15.00 N ATOM 526 CA PRO A 37 10.376 1.712 -8.675 1.00 15.00 C ATOM 527 C PRO A 37 9.815 2.362 -7.415 1.00 15.00 C ATOM 528 O PRO A 37 9.886 3.576 -7.208 1.00 15.00 O ATOM 529 CB PRO A 37 11.633 2.454 -9.150 1.00 15.00 C ATOM 530 CG PRO A 37 11.169 3.387 -10.219 1.00 15.00 C ATOM 531 CD PRO A 37 9.984 2.727 -10.871 1.00 15.00 C ATOM 0 HA PRO A 37 10.538 0.675 -8.379 1.00 15.00 H new ATOM 0 HB2 PRO A 37 12.100 2.999 -8.330 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.378 1.757 -9.534 1.00 15.00 H new ATOM 0 HG2 PRO A 37 10.893 4.354 -9.798 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.961 3.570 -10.946 1.00 15.00 H new ATOM 0 HD2 PRO A 37 9.223 3.454 -11.153 1.00 15.00 H new ATOM 0 HD3 PRO A 37 10.268 2.195 -11.779 1.00 15.00 H new ATOM 539 N HIS A 38 9.248 1.500 -6.593 1.00 15.00 N ATOM 540 CA HIS A 38 8.735 1.832 -5.283 1.00 15.00 C ATOM 541 C HIS A 38 9.418 0.921 -4.273 1.00 15.00 C ATOM 542 O HIS A 38 10.052 -0.055 -4.677 1.00 15.00 O ATOM 543 CB HIS A 38 7.213 1.692 -5.226 1.00 15.00 C ATOM 544 CG HIS A 38 6.523 2.965 -4.832 1.00 15.00 C ATOM 545 ND1 HIS A 38 5.286 3.353 -5.293 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.934 3.954 -3.994 1.00 15.00 C ATOM 547 CE1 HIS A 38 4.990 4.535 -4.736 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.959 4.944 -3.936 1.00 15.00 N ATOM 0 H HIS A 38 9.129 0.515 -6.830 1.00 15.00 H new ATOM 0 HA HIS A 38 8.952 2.875 -5.050 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.846 1.373 -6.201 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.952 0.908 -4.515 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.698 2.833 -5.944 1.00 15.00 H new ATOM 0 HD2 HIS A 38 7.871 3.968 -3.457 1.00 15.00 H new ATOM 0 HE1 HIS A 38 4.077 5.083 -4.917 1.00 15.00 H new ATOM 556 N ALA A 39 9.336 1.213 -2.987 1.00 15.00 N ATOM 557 CA ALA A 39 9.906 0.298 -2.014 1.00 15.00 C ATOM 558 C ALA A 39 8.774 -0.588 -1.501 1.00 15.00 C ATOM 559 O ALA A 39 7.880 -0.112 -0.799 1.00 15.00 O ATOM 560 CB ALA A 39 10.571 1.053 -0.872 1.00 15.00 C ATOM 0 H ALA A 39 8.896 2.048 -2.601 1.00 15.00 H new ATOM 0 HA ALA A 39 10.683 -0.310 -2.478 1.00 15.00 H new ATOM 0 HB1 ALA A 39 10.988 0.341 -0.160 1.00 15.00 H new ATOM 0 HB2 ALA A 39 11.369 1.681 -1.267 1.00 15.00 H new ATOM 0 HB3 ALA A 39 9.832 1.678 -0.370 1.00 15.00 H new ATOM 566 N HIS A 40 8.810 -1.870 -1.841 1.00 15.00 N ATOM 567 CA HIS A 40 7.755 -2.790 -1.430 1.00 15.00 C ATOM 568 C HIS A 40 8.122 -4.235 -1.750 1.00 15.00 C ATOM 569 O HIS A 40 9.153 -4.503 -2.364 1.00 15.00 O ATOM 570 CB HIS A 40 6.427 -2.424 -2.120 1.00 15.00 C ATOM 571 CG HIS A 40 6.449 -2.537 -3.623 1.00 15.00 C ATOM 572 ND1 HIS A 40 6.902 -1.507 -4.411 1.00 15.00 N ATOM 573 CD2 HIS A 40 6.064 -3.564 -4.422 1.00 15.00 C ATOM 574 CE1 HIS A 40 6.783 -1.924 -5.661 1.00 15.00 C ATOM 575 NE2 HIS A 40 6.282 -3.162 -5.714 1.00 15.00 N ATOM 0 H HIS A 40 9.552 -2.295 -2.396 1.00 15.00 H new ATOM 0 HA HIS A 40 7.638 -2.699 -0.350 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.640 -3.071 -1.732 1.00 15.00 H new ATOM 0 HB3 HIS A 40 6.162 -1.402 -1.849 1.00 15.00 H new ATOM 0 HD2 HIS A 40 5.663 -4.514 -4.102 1.00 15.00 H new ATOM 0 HE1 HIS A 40 7.056 -1.339 -6.527 1.00 15.00 H new ATOM 0 HE2 HIS A 40 6.097 -3.705 -6.557 1.00 15.00 H new ATOM 583 N GLY A 41 7.256 -5.154 -1.336 1.00 15.00 N ATOM 584 CA GLY A 41 7.471 -6.565 -1.590 1.00 15.00 C ATOM 585 C GLY A 41 6.164 -7.293 -1.839 1.00 15.00 C ATOM 586 O GLY A 41 5.975 -8.427 -1.395 1.00 15.00 O ATOM 0 H GLY A 41 6.400 -4.942 -0.823 1.00 15.00 H new ATOM 0 HA2 GLY A 41 8.125 -6.684 -2.454 1.00 15.00 H new ATOM 0 HA3 GLY A 41 7.982 -7.015 -0.739 1.00 15.00 H new ATOM 590 N TYR A 42 5.261 -6.639 -2.562 1.00 15.00 N ATOM 591 CA TYR A 42 3.952 -7.210 -2.861 1.00 15.00 C ATOM 592 C TYR A 42 3.872 -7.669 -4.309 1.00 15.00 C ATOM 593 O TYR A 42 4.135 -6.897 -5.227 1.00 15.00 O ATOM 594 CB TYR A 42 2.838 -6.188 -2.600 1.00 15.00 C ATOM 595 CG TYR A 42 2.768 -5.688 -1.173 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.708 -4.791 -0.690 1.00 15.00 C ATOM 597 CD2 TYR A 42 1.756 -6.100 -0.318 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.649 -4.318 0.602 1.00 15.00 C ATOM 599 CE2 TYR A 42 1.687 -5.633 0.980 1.00 15.00 C ATOM 600 CZ TYR A 42 2.638 -4.740 1.433 1.00 15.00 C ATOM 601 OH TYR A 42 2.574 -4.264 2.721 1.00 15.00 O ATOM 0 H TYR A 42 5.412 -5.709 -2.953 1.00 15.00 H new ATOM 0 HA TYR A 42 3.817 -8.070 -2.205 1.00 15.00 H new ATOM 0 HB2 TYR A 42 2.981 -5.335 -3.264 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.880 -6.638 -2.861 1.00 15.00 H new ATOM 0 HD1 TYR A 42 4.503 -4.456 -1.340 1.00 15.00 H new ATOM 0 HD2 TYR A 42 1.011 -6.797 -0.673 1.00 15.00 H new ATOM 0 HE1 TYR A 42 4.392 -3.620 0.960 1.00 15.00 H new ATOM 0 HE2 TYR A 42 0.895 -5.964 1.636 1.00 15.00 H new ATOM 0 HH TYR A 42 2.481 -3.289 2.705 1.00 15.00 H new ATOM 611 N ILE A 43 3.509 -8.929 -4.496 1.00 15.00 N ATOM 612 CA ILE A 43 3.364 -9.518 -5.822 1.00 15.00 C ATOM 613 C ILE A 43 2.079 -10.350 -5.849 1.00 15.00 C ATOM 614 O ILE A 43 1.826 -11.112 -4.916 1.00 15.00 O ATOM 615 CB ILE A 43 4.580 -10.419 -6.184 1.00 15.00 C ATOM 616 CG1 ILE A 43 5.879 -9.601 -6.240 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.359 -11.149 -7.503 1.00 15.00 C ATOM 618 CD1 ILE A 43 5.927 -8.586 -7.367 1.00 15.00 C ATOM 0 H ILE A 43 3.306 -9.574 -3.733 1.00 15.00 H new ATOM 0 HA ILE A 43 3.318 -8.716 -6.558 1.00 15.00 H new ATOM 0 HB ILE A 43 4.675 -11.165 -5.395 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.008 -9.080 -5.291 1.00 15.00 H new ATOM 0 HG13 ILE A 43 6.721 -10.285 -6.346 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.227 -11.769 -7.726 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.473 -11.779 -7.426 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.218 -10.421 -8.302 1.00 15.00 H new ATOM 0 HD11 ILE A 43 6.877 -8.052 -7.335 1.00 15.00 H new ATOM 0 HD12 ILE A 43 5.832 -9.100 -8.324 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.107 -7.876 -7.253 1.00 15.00 H new ATOM 630 N PRO A 44 1.245 -10.203 -6.897 1.00 15.00 N ATOM 631 CA PRO A 44 -0.018 -10.953 -7.032 1.00 15.00 C ATOM 632 C PRO A 44 0.147 -12.464 -6.834 1.00 15.00 C ATOM 633 O PRO A 44 -0.729 -13.125 -6.274 1.00 15.00 O ATOM 634 CB PRO A 44 -0.447 -10.652 -8.468 1.00 15.00 C ATOM 635 CG PRO A 44 0.147 -9.326 -8.775 1.00 15.00 C ATOM 636 CD PRO A 44 1.452 -9.272 -8.028 1.00 15.00 C ATOM 0 HA PRO A 44 -0.741 -10.656 -6.272 1.00 15.00 H new ATOM 0 HB2 PRO A 44 -0.085 -11.416 -9.157 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.533 -10.629 -8.559 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.306 -9.209 -9.847 1.00 15.00 H new ATOM 0 HG3 PRO A 44 -0.516 -8.520 -8.461 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.287 -9.584 -8.656 1.00 15.00 H new ATOM 0 HD3 PRO A 44 1.674 -8.263 -7.681 1.00 15.00 H new ATOM 644 N SER A 45 1.280 -12.998 -7.270 1.00 15.00 N ATOM 645 CA SER A 45 1.565 -14.424 -7.155 1.00 15.00 C ATOM 646 C SER A 45 1.845 -14.848 -5.705 1.00 15.00 C ATOM 647 O SER A 45 2.024 -16.033 -5.419 1.00 15.00 O ATOM 648 CB SER A 45 2.759 -14.767 -8.042 1.00 15.00 C ATOM 649 OG SER A 45 2.720 -14.013 -9.244 1.00 15.00 O ATOM 0 H SER A 45 2.025 -12.459 -7.711 1.00 15.00 H new ATOM 0 HA SER A 45 0.681 -14.972 -7.481 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.687 -14.562 -7.508 1.00 15.00 H new ATOM 0 HB3 SER A 45 2.753 -15.832 -8.274 1.00 15.00 H new ATOM 0 HG SER A 45 3.493 -14.244 -9.800 1.00 15.00 H new ATOM 655 N LYS A 46 1.893 -13.882 -4.795 1.00 15.00 N ATOM 656 CA LYS A 46 2.146 -14.167 -3.386 1.00 15.00 C ATOM 657 C LYS A 46 0.849 -14.099 -2.589 1.00 15.00 C ATOM 658 O LYS A 46 0.762 -14.615 -1.475 1.00 15.00 O ATOM 659 CB LYS A 46 3.157 -13.175 -2.810 1.00 15.00 C ATOM 660 CG LYS A 46 4.497 -13.197 -3.524 1.00 15.00 C ATOM 661 CD LYS A 46 5.290 -11.931 -3.257 1.00 15.00 C ATOM 662 CE LYS A 46 6.076 -12.011 -1.962 1.00 15.00 C ATOM 663 NZ LYS A 46 7.041 -10.888 -1.847 1.00 15.00 N1+ ATOM 0 H LYS A 46 1.760 -12.893 -5.007 1.00 15.00 H new ATOM 0 HA LYS A 46 2.557 -15.174 -3.312 1.00 15.00 H new ATOM 0 HB2 LYS A 46 2.740 -12.169 -2.866 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.312 -13.398 -1.754 1.00 15.00 H new ATOM 0 HG2 LYS A 46 5.071 -14.063 -3.196 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.337 -13.308 -4.596 1.00 15.00 H new ATOM 0 HD2 LYS A 46 5.975 -11.752 -4.086 1.00 15.00 H new ATOM 0 HD3 LYS A 46 4.610 -11.080 -3.216 1.00 15.00 H new ATOM 0 HE2 LYS A 46 5.390 -11.992 -1.116 1.00 15.00 H new ATOM 0 HE3 LYS A 46 6.611 -12.959 -1.917 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 7.552 -10.960 -0.944 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.720 -10.932 -2.633 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 6.528 -9.984 -1.883 1.00 15.00 H new ATOM 677 N PHE A 47 -0.161 -13.459 -3.170 1.00 15.00 N ATOM 678 CA PHE A 47 -1.459 -13.319 -2.519 1.00 15.00 C ATOM 679 C PHE A 47 -2.590 -13.591 -3.513 1.00 15.00 C ATOM 680 O PHE A 47 -3.411 -12.712 -3.784 1.00 15.00 O ATOM 681 CB PHE A 47 -1.620 -11.909 -1.931 1.00 15.00 C ATOM 682 CG PHE A 47 -0.541 -11.520 -0.962 1.00 15.00 C ATOM 683 CD1 PHE A 47 -0.559 -11.994 0.338 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.488 -10.672 -1.353 1.00 15.00 C ATOM 685 CE1 PHE A 47 0.429 -11.634 1.234 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.478 -10.310 -0.462 1.00 15.00 C ATOM 687 CZ PHE A 47 1.450 -10.789 0.833 1.00 15.00 C ATOM 0 H PHE A 47 -0.105 -13.028 -4.093 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.511 -14.049 -1.711 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -1.638 -11.187 -2.747 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.585 -11.845 -1.428 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -1.354 -12.652 0.656 1.00 15.00 H new ATOM 0 HD2 PHE A 47 0.513 -10.293 -2.364 1.00 15.00 H new ATOM 0 HE1 PHE A 47 0.405 -12.011 2.246 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.274 -9.652 -0.777 1.00 15.00 H new ATOM 0 HZ PHE A 47 2.223 -10.505 1.532 1.00 15.00 H new ATOM 697 N PRO A 48 -2.666 -14.818 -4.063 1.00 15.00 N ATOM 698 CA PRO A 48 -3.693 -15.179 -5.042 1.00 15.00 C ATOM 699 C PRO A 48 -5.061 -15.365 -4.397 1.00 15.00 C ATOM 700 O PRO A 48 -6.094 -15.154 -5.032 1.00 15.00 O ATOM 701 CB PRO A 48 -3.194 -16.509 -5.630 1.00 15.00 C ATOM 702 CG PRO A 48 -1.832 -16.733 -5.060 1.00 15.00 C ATOM 703 CD PRO A 48 -1.780 -15.955 -3.779 1.00 15.00 C ATOM 0 HA PRO A 48 -3.828 -14.398 -5.790 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -3.865 -17.327 -5.367 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -3.158 -16.464 -6.718 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -1.656 -17.793 -4.879 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -1.060 -16.395 -5.752 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -2.133 -16.543 -2.932 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.767 -15.631 -3.542 1.00 15.00 H new ATOM 711 N ASN A 49 -5.061 -15.736 -3.122 1.00 15.00 N ATOM 712 CA ASN A 49 -6.301 -15.958 -2.386 1.00 15.00 C ATOM 713 C ASN A 49 -6.953 -14.631 -2.011 1.00 15.00 C ATOM 714 O ASN A 49 -8.132 -14.585 -1.660 1.00 15.00 O ATOM 715 CB ASN A 49 -6.049 -16.808 -1.133 1.00 15.00 C ATOM 716 CG ASN A 49 -5.128 -16.146 -0.124 1.00 15.00 C ATOM 717 OD1 ASN A 49 -4.260 -15.345 -0.475 1.00 15.00 O ATOM 718 ND2 ASN A 49 -5.309 -16.489 1.141 1.00 15.00 N ATOM 0 H ASN A 49 -4.214 -15.890 -2.575 1.00 15.00 H new ATOM 0 HA ASN A 49 -6.985 -16.504 -3.036 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -7.003 -17.025 -0.653 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.619 -17.763 -1.433 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -4.718 -16.086 1.868 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -6.040 -17.156 1.389 1.00 15.00 H new ATOM 725 N LYS A 50 -6.182 -13.555 -2.101 1.00 15.00 N ATOM 726 CA LYS A 50 -6.687 -12.224 -1.787 1.00 15.00 C ATOM 727 C LYS A 50 -7.169 -11.527 -3.056 1.00 15.00 C ATOM 728 O LYS A 50 -7.641 -10.387 -3.010 1.00 15.00 O ATOM 729 CB LYS A 50 -5.609 -11.381 -1.098 1.00 15.00 C ATOM 730 CG LYS A 50 -5.131 -11.946 0.234 1.00 15.00 C ATOM 731 CD LYS A 50 -6.265 -12.060 1.244 1.00 15.00 C ATOM 732 CE LYS A 50 -5.742 -12.432 2.622 1.00 15.00 C ATOM 733 NZ LYS A 50 -6.805 -12.998 3.496 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.204 -13.578 -2.389 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.528 -12.332 -1.102 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -4.754 -11.287 -1.768 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -5.998 -10.376 -0.935 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -4.688 -12.929 0.073 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -4.347 -11.306 0.639 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -6.802 -11.113 1.300 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -6.979 -12.812 0.909 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -4.935 -13.158 2.518 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -5.316 -11.548 3.097 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -6.369 -13.566 4.250 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -7.355 -12.224 3.920 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -7.436 -13.601 2.930 1.00 15.00 H new ATOM 747 N ASN A 51 -7.044 -12.236 -4.180 1.00 15.00 N ATOM 748 CA ASN A 51 -7.454 -11.735 -5.492 1.00 15.00 C ATOM 749 C ASN A 51 -6.759 -10.420 -5.836 1.00 15.00 C ATOM 750 O ASN A 51 -7.401 -9.382 -6.017 1.00 15.00 O ATOM 751 CB ASN A 51 -8.980 -11.578 -5.562 1.00 15.00 C ATOM 752 CG ASN A 51 -9.477 -11.261 -6.966 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.820 -11.573 -7.958 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.641 -10.634 -7.060 1.00 15.00 N ATOM 0 H ASN A 51 -6.654 -13.178 -4.205 1.00 15.00 H new ATOM 0 HA ASN A 51 -7.148 -12.472 -6.234 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.452 -12.497 -5.213 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.290 -10.783 -4.884 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -11.019 -10.395 -7.977 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -11.159 -10.391 -6.216 1.00 15.00 H new ATOM 761 N LEU A 52 -5.436 -10.464 -5.913 1.00 15.00 N ATOM 762 CA LEU A 52 -4.662 -9.283 -6.259 1.00 15.00 C ATOM 763 C LEU A 52 -4.405 -9.261 -7.758 1.00 15.00 C ATOM 764 O LEU A 52 -3.646 -10.078 -8.277 1.00 15.00 O ATOM 765 CB LEU A 52 -3.329 -9.265 -5.505 1.00 15.00 C ATOM 766 CG LEU A 52 -3.263 -8.306 -4.313 1.00 15.00 C ATOM 767 CD1 LEU A 52 -4.178 -8.774 -3.190 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.829 -8.179 -3.819 1.00 15.00 C ATOM 0 H LEU A 52 -4.880 -11.301 -5.741 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.232 -8.399 -5.972 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -3.118 -10.274 -5.150 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.537 -9.001 -6.206 1.00 15.00 H new ATOM 0 HG LEU A 52 -3.607 -7.325 -4.641 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -4.114 -8.077 -2.354 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -5.206 -8.815 -3.551 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.870 -9.766 -2.859 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -1.795 -7.494 -2.971 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.463 -9.158 -3.510 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -1.200 -7.794 -4.622 1.00 15.00 H new ATOM 780 N LYS A 53 -5.042 -8.322 -8.448 1.00 15.00 N ATOM 781 CA LYS A 53 -4.906 -8.190 -9.892 1.00 15.00 C ATOM 782 C LYS A 53 -4.992 -6.723 -10.286 1.00 15.00 C ATOM 783 O LYS A 53 -5.619 -5.927 -9.578 1.00 15.00 O ATOM 784 CB LYS A 53 -6.008 -8.975 -10.623 1.00 15.00 C ATOM 785 CG LYS A 53 -6.068 -10.458 -10.284 1.00 15.00 C ATOM 786 CD LYS A 53 -4.977 -11.248 -10.989 1.00 15.00 C ATOM 787 CE LYS A 53 -4.861 -12.651 -10.416 1.00 15.00 C ATOM 788 NZ LYS A 53 -4.119 -13.566 -11.323 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.664 -7.634 -8.024 1.00 15.00 H new ATOM 0 HA LYS A 53 -3.936 -8.596 -10.180 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -6.972 -8.524 -10.389 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -5.859 -8.868 -11.697 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -5.971 -10.588 -9.206 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -7.043 -10.855 -10.566 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.196 -11.304 -12.055 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.024 -10.730 -10.886 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -4.354 -12.608 -9.452 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -5.858 -13.052 -10.234 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -4.064 -14.511 -10.893 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.615 -13.629 -12.235 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -3.158 -13.199 -11.477 1.00 15.00 H new ATOM 802 N LYS A 54 -4.354 -6.375 -11.408 1.00 15.00 N ATOM 803 CA LYS A 54 -4.357 -5.005 -11.923 1.00 15.00 C ATOM 804 C LYS A 54 -3.898 -4.012 -10.853 1.00 15.00 C ATOM 805 O LYS A 54 -2.855 -4.202 -10.226 1.00 15.00 O ATOM 806 CB LYS A 54 -5.756 -4.630 -12.435 1.00 15.00 C ATOM 807 CG LYS A 54 -6.323 -5.602 -13.461 1.00 15.00 C ATOM 808 CD LYS A 54 -5.648 -5.451 -14.817 1.00 15.00 C ATOM 809 CE LYS A 54 -6.228 -6.416 -15.841 1.00 15.00 C ATOM 810 NZ LYS A 54 -5.692 -6.174 -17.207 1.00 15.00 N1+ ATOM 0 H LYS A 54 -3.824 -7.032 -11.981 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.653 -4.955 -12.753 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.439 -4.574 -11.587 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.715 -3.635 -12.877 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.195 -6.624 -13.103 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.395 -5.434 -13.568 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.768 -4.427 -15.172 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -4.578 -5.629 -14.713 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -6.004 -7.440 -15.541 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -7.314 -6.318 -15.856 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.114 -6.854 -17.871 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.927 -5.206 -17.506 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -4.659 -6.293 -17.201 1.00 15.00 H new ATOM 824 N ASN A 55 -4.683 -2.961 -10.652 1.00 15.00 N ATOM 825 CA ASN A 55 -4.376 -1.938 -9.661 1.00 15.00 C ATOM 826 C ASN A 55 -5.600 -1.656 -8.795 1.00 15.00 C ATOM 827 O ASN A 55 -5.808 -0.534 -8.335 1.00 15.00 O ATOM 828 CB ASN A 55 -3.891 -0.645 -10.340 1.00 15.00 C ATOM 829 CG ASN A 55 -4.936 0.017 -11.225 1.00 15.00 C ATOM 830 OD1 ASN A 55 -5.803 -0.646 -11.795 1.00 15.00 O ATOM 831 ND2 ASN A 55 -4.848 1.332 -11.354 1.00 15.00 N ATOM 0 H ASN A 55 -5.546 -2.794 -11.169 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.573 -2.309 -9.024 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.580 0.062 -9.571 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -3.010 -0.871 -10.941 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.514 1.832 -11.943 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.114 1.845 -10.864 1.00 15.00 H new ATOM 838 N TYR A 56 -6.405 -2.689 -8.578 1.00 15.00 N ATOM 839 CA TYR A 56 -7.607 -2.560 -7.765 1.00 15.00 C ATOM 840 C TYR A 56 -7.243 -2.420 -6.294 1.00 15.00 C ATOM 841 O TYR A 56 -6.239 -2.973 -5.839 1.00 15.00 O ATOM 842 CB TYR A 56 -8.515 -3.786 -7.924 1.00 15.00 C ATOM 843 CG TYR A 56 -9.045 -4.016 -9.320 1.00 15.00 C ATOM 844 CD1 TYR A 56 -8.807 -5.217 -9.974 1.00 15.00 C ATOM 845 CD2 TYR A 56 -9.800 -3.049 -9.973 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.305 -5.452 -11.240 1.00 15.00 C ATOM 847 CE2 TYR A 56 -10.298 -3.274 -11.244 1.00 15.00 C ATOM 848 CZ TYR A 56 -10.049 -4.478 -11.872 1.00 15.00 C ATOM 849 OH TYR A 56 -10.550 -4.715 -13.131 1.00 15.00 O ATOM 0 H TYR A 56 -6.247 -3.624 -8.953 1.00 15.00 H new ATOM 0 HA TYR A 56 -8.135 -1.670 -8.106 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -7.961 -4.672 -7.612 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.360 -3.683 -7.244 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -8.222 -5.981 -9.484 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -10.001 -2.109 -9.481 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.113 -6.394 -11.733 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -10.879 -2.512 -11.742 1.00 15.00 H new ATOM 0 HH TYR A 56 -11.052 -3.931 -13.436 1.00 15.00 H new ATOM 859 N CYS A 57 -8.054 -1.670 -5.562 1.00 15.00 N ATOM 860 CA CYS A 57 -7.844 -1.489 -4.135 1.00 15.00 C ATOM 861 C CYS A 57 -8.089 -2.816 -3.421 1.00 15.00 C ATOM 862 O CYS A 57 -9.140 -3.442 -3.603 1.00 15.00 O ATOM 863 CB CYS A 57 -8.786 -0.411 -3.589 1.00 15.00 C ATOM 864 SG CYS A 57 -8.249 0.321 -2.028 1.00 15.00 S ATOM 0 H CYS A 57 -8.865 -1.176 -5.935 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.818 -1.165 -3.959 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -8.885 0.380 -4.333 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.776 -0.845 -3.452 1.00 15.00 H new ATOM 0 HG CYS A 57 -9.263 0.884 -1.441 1.00 15.00 H new ATOM 870 N ARG A 58 -7.121 -3.251 -2.628 1.00 15.00 N ATOM 871 CA ARG A 58 -7.227 -4.517 -1.916 1.00 15.00 C ATOM 872 C ARG A 58 -6.723 -4.371 -0.488 1.00 15.00 C ATOM 873 O ARG A 58 -6.240 -3.309 -0.097 1.00 15.00 O ATOM 874 CB ARG A 58 -6.406 -5.599 -2.631 1.00 15.00 C ATOM 875 CG ARG A 58 -6.851 -5.890 -4.058 1.00 15.00 C ATOM 876 CD ARG A 58 -8.086 -6.774 -4.104 1.00 15.00 C ATOM 877 NE ARG A 58 -9.242 -6.074 -4.668 1.00 15.00 N ATOM 878 CZ ARG A 58 -9.974 -6.534 -5.689 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.674 -7.697 -6.262 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -11.014 -5.836 -6.135 1.00 15.00 N ATOM 0 H ARG A 58 -6.251 -2.745 -2.461 1.00 15.00 H new ATOM 0 HA ARG A 58 -8.277 -4.808 -1.898 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -5.360 -5.293 -2.645 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.461 -6.521 -2.052 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -7.059 -4.951 -4.571 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -6.038 -6.375 -4.599 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -7.874 -7.662 -4.700 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -8.325 -7.115 -3.097 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.506 -5.179 -4.256 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -8.882 -8.243 -5.923 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.236 -8.042 -7.040 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -11.256 -4.946 -5.699 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.570 -6.190 -6.914 1.00 15.00 H new ATOM 894 N ASN A 59 -6.842 -5.437 0.287 1.00 15.00 N ATOM 895 CA ASN A 59 -6.371 -5.435 1.662 1.00 15.00 C ATOM 896 C ASN A 59 -5.872 -6.824 2.040 1.00 15.00 C ATOM 897 O ASN A 59 -6.640 -7.677 2.477 1.00 15.00 O ATOM 898 CB ASN A 59 -7.467 -4.990 2.632 1.00 15.00 C ATOM 899 CG ASN A 59 -6.897 -4.595 3.981 1.00 15.00 C ATOM 900 OD1 ASN A 59 -5.924 -5.185 4.457 1.00 15.00 O ATOM 901 ND2 ASN A 59 -7.492 -3.596 4.606 1.00 15.00 N ATOM 0 H ASN A 59 -7.262 -6.317 -0.014 1.00 15.00 H new ATOM 0 HA ASN A 59 -5.552 -4.720 1.735 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.010 -4.146 2.205 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.186 -5.798 2.764 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -7.149 -3.287 5.516 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -8.295 -3.133 4.179 1.00 15.00 H new ATOM 908 N PRO A 60 -4.571 -7.075 1.869 1.00 15.00 N ATOM 909 CA PRO A 60 -3.979 -8.369 2.181 1.00 15.00 C ATOM 910 C PRO A 60 -3.596 -8.529 3.653 1.00 15.00 C ATOM 911 O PRO A 60 -3.122 -9.590 4.059 1.00 15.00 O ATOM 912 CB PRO A 60 -2.736 -8.387 1.296 1.00 15.00 C ATOM 913 CG PRO A 60 -2.336 -6.956 1.147 1.00 15.00 C ATOM 914 CD PRO A 60 -3.580 -6.123 1.341 1.00 15.00 C ATOM 0 HA PRO A 60 -4.677 -9.187 2.003 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -1.938 -8.973 1.751 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -2.950 -8.838 0.327 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -1.576 -6.690 1.882 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -1.903 -6.778 0.163 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -3.406 -5.302 2.037 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -3.913 -5.680 0.403 1.00 15.00 H new ATOM 922 N ASP A 61 -3.802 -7.489 4.457 1.00 15.00 N ATOM 923 CA ASP A 61 -3.445 -7.553 5.877 1.00 15.00 C ATOM 924 C ASP A 61 -4.676 -7.726 6.756 1.00 15.00 C ATOM 925 O ASP A 61 -4.579 -8.260 7.862 1.00 15.00 O ATOM 926 CB ASP A 61 -2.683 -6.292 6.311 1.00 15.00 C ATOM 927 CG ASP A 61 -2.250 -6.353 7.768 1.00 15.00 C ATOM 928 OD1 ASP A 61 -2.879 -5.681 8.613 1.00 15.00 O ATOM 929 OD2 ASP A 61 -1.292 -7.090 8.079 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.208 -6.602 4.158 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.801 -8.423 6.003 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -1.805 -6.165 5.678 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -3.315 -5.417 6.158 1.00 15.00 H new ATOM 934 N ARG A 62 -5.830 -7.290 6.242 1.00 15.00 N ATOM 935 CA ARG A 62 -7.104 -7.355 6.965 1.00 15.00 C ATOM 936 C ARG A 62 -7.131 -6.276 8.035 1.00 15.00 C ATOM 937 O ARG A 62 -7.609 -6.494 9.149 1.00 15.00 O ATOM 938 CB ARG A 62 -7.336 -8.727 7.609 1.00 15.00 C ATOM 939 CG ARG A 62 -7.311 -9.882 6.628 1.00 15.00 C ATOM 940 CD ARG A 62 -6.855 -11.163 7.297 1.00 15.00 C ATOM 941 NE ARG A 62 -5.484 -11.062 7.796 1.00 15.00 N ATOM 942 CZ ARG A 62 -4.651 -12.093 7.888 1.00 15.00 C ATOM 943 NH1 ARG A 62 -5.052 -13.303 7.522 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -3.415 -11.909 8.338 1.00 15.00 N ATOM 0 H ARG A 62 -5.907 -6.881 5.311 1.00 15.00 H new ATOM 0 HA ARG A 62 -7.905 -7.194 6.243 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -6.573 -8.893 8.369 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -8.299 -8.719 8.120 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -8.305 -10.024 6.205 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -6.643 -9.644 5.800 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -7.525 -11.399 8.124 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.923 -11.987 6.587 1.00 15.00 H new ATOM 0 HE ARG A 62 -5.147 -10.145 8.091 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -5.999 -13.442 7.170 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -4.413 -14.095 7.592 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -3.106 -10.977 8.613 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -2.775 -12.700 8.409 1.00 15.00 H new ATOM 958 N ASP A 63 -6.576 -5.121 7.696 1.00 15.00 N ATOM 959 CA ASP A 63 -6.521 -3.990 8.613 1.00 15.00 C ATOM 960 C ASP A 63 -7.840 -3.224 8.620 1.00 15.00 C ATOM 961 O ASP A 63 -8.843 -3.691 8.079 1.00 15.00 O ATOM 962 CB ASP A 63 -5.353 -3.054 8.280 1.00 15.00 C ATOM 963 CG ASP A 63 -5.597 -2.222 7.045 1.00 15.00 C ATOM 964 OD1 ASP A 63 -6.152 -1.111 7.173 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.220 -2.680 5.952 1.00 15.00 O1- ATOM 0 H ASP A 63 -6.154 -4.941 6.785 1.00 15.00 H new ATOM 0 HA ASP A 63 -6.354 -4.390 9.613 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -5.172 -2.392 9.127 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -4.449 -3.646 8.139 1.00 15.00 H new ATOM 970 N LEU A 64 -7.821 -2.059 9.255 1.00 15.00 N ATOM 971 CA LEU A 64 -8.998 -1.204 9.404 1.00 15.00 C ATOM 972 C LEU A 64 -9.741 -0.946 8.088 1.00 15.00 C ATOM 973 O LEU A 64 -10.973 -0.918 8.083 1.00 15.00 O ATOM 974 CB LEU A 64 -8.587 0.139 10.016 1.00 15.00 C ATOM 975 CG LEU A 64 -7.541 0.054 11.131 1.00 15.00 C ATOM 976 CD1 LEU A 64 -6.157 0.406 10.601 1.00 15.00 C ATOM 977 CD2 LEU A 64 -7.913 0.964 12.293 1.00 15.00 C ATOM 0 H LEU A 64 -6.981 -1.675 9.687 1.00 15.00 H new ATOM 0 HA LEU A 64 -9.685 -1.741 10.058 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -8.198 0.778 9.223 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -9.477 0.628 10.411 1.00 15.00 H new ATOM 0 HG LEU A 64 -7.519 -0.973 11.494 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -5.430 0.339 11.410 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -5.883 -0.290 9.808 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -6.167 1.421 10.205 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -7.155 0.887 13.073 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -7.970 1.995 11.944 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -8.880 0.663 12.696 1.00 15.00 H new ATOM 989 N ARG A 65 -9.021 -0.739 6.985 1.00 15.00 N ATOM 990 CA ARG A 65 -9.679 -0.466 5.702 1.00 15.00 C ATOM 991 C ARG A 65 -8.731 -0.662 4.518 1.00 15.00 C ATOM 992 O ARG A 65 -7.520 -0.526 4.662 1.00 15.00 O ATOM 993 CB ARG A 65 -10.239 0.962 5.689 1.00 15.00 C ATOM 994 CG ARG A 65 -9.259 2.000 6.202 1.00 15.00 C ATOM 995 CD ARG A 65 -9.876 3.387 6.238 1.00 15.00 C ATOM 996 NE ARG A 65 -9.001 4.345 6.907 1.00 15.00 N ATOM 997 CZ ARG A 65 -8.740 5.567 6.451 1.00 15.00 C ATOM 998 NH1 ARG A 65 -9.289 5.996 5.318 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -7.922 6.356 7.127 1.00 15.00 N ATOM 0 H ARG A 65 -8.002 -0.754 6.950 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.495 -1.181 5.596 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.530 1.220 4.671 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -11.143 0.995 6.297 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -8.927 1.724 7.203 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -8.375 2.012 5.565 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -10.076 3.724 5.221 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -10.835 3.346 6.754 1.00 15.00 H new ATOM 0 HE ARG A 65 -8.561 4.059 7.781 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -9.915 5.387 4.792 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -9.084 6.934 4.975 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -7.495 6.026 7.993 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -7.718 7.294 6.783 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.283 -0.995 3.332 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.493 -1.211 2.109 1.00 15.00 C ATOM 1015 C PRO A 66 -7.565 -0.045 1.773 1.00 15.00 C ATOM 1016 O PRO A 66 -7.863 1.119 2.061 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.555 -1.367 1.019 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.776 -1.825 1.730 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.726 -1.200 3.095 1.00 15.00 C ATOM 0 HA PRO A 66 -7.830 -2.070 2.217 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.731 -0.424 0.502 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -9.243 -2.090 0.266 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.675 -1.520 1.195 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.800 -2.912 1.801 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.275 -0.259 3.125 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -11.168 -1.850 3.850 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.447 -0.376 1.144 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.447 0.605 0.759 1.00 15.00 C ATOM 1029 C TRP A 67 -4.780 0.178 -0.538 1.00 15.00 C ATOM 1030 O TRP A 67 -5.001 -0.932 -1.024 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.397 0.768 1.866 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.888 -0.533 2.415 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -4.558 -1.389 3.242 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.601 -1.123 2.188 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -3.776 -2.475 3.532 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -2.566 -2.333 2.904 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.473 -0.743 1.450 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -1.455 -3.171 2.898 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.368 -1.576 1.448 1.00 15.00 C ATOM 1040 CH2 TRP A 67 -0.367 -2.774 2.172 1.00 15.00 C ATOM 0 H TRP A 67 -6.209 -1.334 0.887 1.00 15.00 H new ATOM 0 HA TRP A 67 -5.939 1.566 0.609 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.556 1.340 1.475 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.828 1.351 2.680 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -5.560 -1.232 3.614 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -4.050 -3.262 4.120 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.466 0.182 0.893 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -1.453 -4.101 3.447 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.507 -1.298 0.879 1.00 15.00 H new ATOM 0 HH2 TRP A 67 0.514 -3.399 2.157 1.00 15.00 H new ATOM 1051 N CYS A 68 -3.976 1.061 -1.104 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.284 0.767 -2.347 1.00 15.00 C ATOM 1053 C CYS A 68 -2.105 1.709 -2.539 1.00 15.00 C ATOM 1054 O CYS A 68 -2.084 2.811 -1.985 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.256 0.880 -3.522 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.564 2.109 -3.280 1.00 15.00 S ATOM 0 H CYS A 68 -3.786 1.988 -0.723 1.00 15.00 H new ATOM 0 HA CYS A 68 -2.900 -0.252 -2.303 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -3.695 1.134 -4.421 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -4.714 -0.094 -3.696 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.611 1.533 -2.769 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.122 1.264 -3.309 1.00 15.00 N ATOM 1063 CA PHE A 69 0.060 2.069 -3.575 1.00 15.00 C ATOM 1064 C PHE A 69 -0.287 3.190 -4.540 1.00 15.00 C ATOM 1065 O PHE A 69 -1.095 3.007 -5.448 1.00 15.00 O ATOM 1066 CB PHE A 69 1.191 1.204 -4.141 1.00 15.00 C ATOM 1067 CG PHE A 69 1.981 0.487 -3.082 1.00 15.00 C ATOM 1068 CD1 PHE A 69 3.163 1.025 -2.599 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.536 -0.718 -2.562 1.00 15.00 C ATOM 1070 CE1 PHE A 69 3.889 0.375 -1.622 1.00 15.00 C ATOM 1071 CE2 PHE A 69 2.258 -1.374 -1.584 1.00 15.00 C ATOM 1072 CZ PHE A 69 3.437 -0.826 -1.112 1.00 15.00 C ATOM 0 H PHE A 69 -1.120 0.349 -3.760 1.00 15.00 H new ATOM 0 HA PHE A 69 0.406 2.503 -2.637 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.769 0.471 -4.828 1.00 15.00 H new ATOM 0 HB3 PHE A 69 1.864 1.834 -4.722 1.00 15.00 H new ATOM 0 HD1 PHE A 69 3.521 1.965 -2.992 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.615 -1.149 -2.925 1.00 15.00 H new ATOM 0 HE1 PHE A 69 4.810 0.805 -1.257 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.902 -2.314 -1.188 1.00 15.00 H new ATOM 0 HZ PHE A 69 4.003 -1.336 -0.346 1.00 15.00 H new ATOM 1082 N THR A 70 0.307 4.347 -4.339 1.00 15.00 N ATOM 1083 CA THR A 70 0.043 5.493 -5.189 1.00 15.00 C ATOM 1084 C THR A 70 1.149 5.681 -6.218 1.00 15.00 C ATOM 1085 O THR A 70 2.272 5.227 -6.023 1.00 15.00 O ATOM 1086 CB THR A 70 -0.094 6.766 -4.343 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.642 6.614 -3.123 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.553 7.055 -4.028 1.00 15.00 C ATOM 0 H THR A 70 0.979 4.521 -3.592 1.00 15.00 H new ATOM 0 HA THR A 70 -0.893 5.307 -5.716 1.00 15.00 H new ATOM 0 HB THR A 70 0.307 7.604 -4.913 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.586 6.823 -3.282 1.00 15.00 H new ATOM 0 HG21 THR A 70 -1.623 7.962 -3.428 1.00 15.00 H new ATOM 0 HG22 THR A 70 -2.106 7.192 -4.957 1.00 15.00 H new ATOM 0 HG23 THR A 70 -1.978 6.219 -3.473 1.00 15.00 H new ATOM 1096 N THR A 71 0.828 6.349 -7.314 1.00 15.00 N ATOM 1097 CA THR A 71 1.803 6.595 -8.364 1.00 15.00 C ATOM 1098 C THR A 71 2.454 7.966 -8.176 1.00 15.00 C ATOM 1099 O THR A 71 2.787 8.658 -9.142 1.00 15.00 O ATOM 1100 CB THR A 71 1.143 6.517 -9.752 1.00 15.00 C ATOM 1101 OG1 THR A 71 0.016 5.631 -9.702 1.00 15.00 O ATOM 1102 CG2 THR A 71 2.130 6.017 -10.795 1.00 15.00 C ATOM 0 H THR A 71 -0.100 6.730 -7.500 1.00 15.00 H new ATOM 0 HA THR A 71 2.571 5.824 -8.299 1.00 15.00 H new ATOM 0 HB THR A 71 0.816 7.518 -10.032 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.403 5.585 -10.587 1.00 15.00 H new ATOM 0 HG21 THR A 71 1.640 5.971 -11.767 1.00 15.00 H new ATOM 0 HG22 THR A 71 2.979 6.699 -10.849 1.00 15.00 H new ATOM 0 HG23 THR A 71 2.480 5.023 -10.518 1.00 15.00 H new ATOM 1110 N ASP A 72 2.640 8.345 -6.920 1.00 15.00 N ATOM 1111 CA ASP A 72 3.238 9.627 -6.577 1.00 15.00 C ATOM 1112 C ASP A 72 4.578 9.411 -5.888 1.00 15.00 C ATOM 1113 O ASP A 72 4.663 8.669 -4.914 1.00 15.00 O ATOM 1114 CB ASP A 72 2.301 10.424 -5.661 1.00 15.00 C ATOM 1115 CG ASP A 72 1.164 11.082 -6.417 1.00 15.00 C ATOM 1116 OD1 ASP A 72 1.251 12.302 -6.681 1.00 15.00 O ATOM 1117 OD2 ASP A 72 0.186 10.386 -6.752 1.00 15.00 O1- ATOM 0 H ASP A 72 2.382 7.776 -6.114 1.00 15.00 H new ATOM 0 HA ASP A 72 3.397 10.194 -7.494 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.890 9.759 -4.901 1.00 15.00 H new ATOM 0 HB3 ASP A 72 2.875 11.189 -5.138 1.00 15.00 H new ATOM 1122 N PRO A 73 5.645 10.057 -6.386 1.00 15.00 N ATOM 1123 CA PRO A 73 6.995 9.924 -5.815 1.00 15.00 C ATOM 1124 C PRO A 73 7.072 10.330 -4.343 1.00 15.00 C ATOM 1125 O PRO A 73 7.983 9.918 -3.625 1.00 15.00 O ATOM 1126 CB PRO A 73 7.841 10.878 -6.669 1.00 15.00 C ATOM 1127 CG PRO A 73 7.076 11.066 -7.930 1.00 15.00 C ATOM 1128 CD PRO A 73 5.628 10.959 -7.554 1.00 15.00 C ATOM 0 HA PRO A 73 7.330 8.887 -5.834 1.00 15.00 H new ATOM 0 HB2 PRO A 73 7.996 11.829 -6.159 1.00 15.00 H new ATOM 0 HB3 PRO A 73 8.827 10.458 -6.867 1.00 15.00 H new ATOM 0 HG2 PRO A 73 7.293 12.036 -8.377 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.345 10.309 -8.666 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.204 11.932 -7.305 1.00 15.00 H new ATOM 0 HD3 PRO A 73 5.030 10.551 -8.369 1.00 15.00 H new ATOM 1136 N ASN A 74 6.112 11.122 -3.890 1.00 15.00 N ATOM 1137 CA ASN A 74 6.099 11.585 -2.507 1.00 15.00 C ATOM 1138 C ASN A 74 5.106 10.795 -1.658 1.00 15.00 C ATOM 1139 O ASN A 74 4.918 11.093 -0.479 1.00 15.00 O ATOM 1140 CB ASN A 74 5.765 13.082 -2.439 1.00 15.00 C ATOM 1141 CG ASN A 74 4.283 13.369 -2.632 1.00 15.00 C ATOM 1142 OD1 ASN A 74 3.626 12.770 -3.486 1.00 15.00 O ATOM 1143 ND2 ASN A 74 3.749 14.287 -1.838 1.00 15.00 N ATOM 0 H ASN A 74 5.333 11.458 -4.456 1.00 15.00 H new ATOM 0 HA ASN A 74 7.098 11.422 -2.102 1.00 15.00 H new ATOM 0 HB2 ASN A 74 6.083 13.476 -1.474 1.00 15.00 H new ATOM 0 HB3 ASN A 74 6.335 13.611 -3.203 1.00 15.00 H new ATOM 0 HD21 ASN A 74 2.760 14.520 -1.921 1.00 15.00 H new ATOM 0 HD22 ASN A 74 4.328 14.760 -1.144 1.00 15.00 H new ATOM 1150 N LYS A 75 4.477 9.784 -2.244 1.00 15.00 N ATOM 1151 CA LYS A 75 3.502 8.987 -1.512 1.00 15.00 C ATOM 1152 C LYS A 75 3.618 7.515 -1.877 1.00 15.00 C ATOM 1153 O LYS A 75 3.355 7.130 -3.015 1.00 15.00 O ATOM 1154 CB LYS A 75 2.082 9.482 -1.801 1.00 15.00 C ATOM 1155 CG LYS A 75 1.100 9.206 -0.673 1.00 15.00 C ATOM 1156 CD LYS A 75 1.374 10.099 0.522 1.00 15.00 C ATOM 1157 CE LYS A 75 0.340 9.900 1.614 1.00 15.00 C ATOM 1158 NZ LYS A 75 0.525 8.610 2.333 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.622 9.499 -3.213 1.00 15.00 H new ATOM 0 HA LYS A 75 3.710 9.098 -0.448 1.00 15.00 H new ATOM 0 HB2 LYS A 75 2.112 10.555 -1.991 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.719 9.007 -2.712 1.00 15.00 H new ATOM 0 HG2 LYS A 75 0.082 9.368 -1.026 1.00 15.00 H new ATOM 0 HG3 LYS A 75 1.171 8.160 -0.373 1.00 15.00 H new ATOM 0 HD2 LYS A 75 2.367 9.885 0.917 1.00 15.00 H new ATOM 0 HD3 LYS A 75 1.374 11.142 0.206 1.00 15.00 H new ATOM 0 HE2 LYS A 75 0.402 10.723 2.326 1.00 15.00 H new ATOM 0 HE3 LYS A 75 -0.658 9.931 1.177 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 -0.343 8.043 2.257 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 1.318 8.087 1.909 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 0.730 8.797 3.335 1.00 15.00 H new ATOM 1172 N ARG A 76 3.998 6.698 -0.903 1.00 15.00 N ATOM 1173 CA ARG A 76 4.149 5.266 -1.124 1.00 15.00 C ATOM 1174 C ARG A 76 2.790 4.628 -1.384 1.00 15.00 C ATOM 1175 O ARG A 76 2.532 4.107 -2.467 1.00 15.00 O ATOM 1176 CB ARG A 76 4.831 4.610 0.081 1.00 15.00 C ATOM 1177 CG ARG A 76 6.189 5.214 0.409 1.00 15.00 C ATOM 1178 CD ARG A 76 6.954 4.365 1.411 1.00 15.00 C ATOM 1179 NE ARG A 76 8.299 4.883 1.667 1.00 15.00 N ATOM 1180 CZ ARG A 76 9.318 4.789 0.811 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.156 4.198 -0.365 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 10.502 5.277 1.140 1.00 15.00 N ATOM 0 H ARG A 76 4.207 7.003 0.048 1.00 15.00 H new ATOM 0 HA ARG A 76 4.778 5.111 -2.001 1.00 15.00 H new ATOM 0 HB2 ARG A 76 4.181 4.701 0.951 1.00 15.00 H new ATOM 0 HB3 ARG A 76 4.953 3.545 -0.115 1.00 15.00 H new ATOM 0 HG2 ARG A 76 6.774 5.313 -0.506 1.00 15.00 H new ATOM 0 HG3 ARG A 76 6.053 6.218 0.811 1.00 15.00 H new ATOM 0 HD2 ARG A 76 6.399 4.324 2.348 1.00 15.00 H new ATOM 0 HD3 ARG A 76 7.026 3.343 1.038 1.00 15.00 H new ATOM 0 HE ARG A 76 8.468 5.347 2.560 1.00 15.00 H new ATOM 0 HH11 ARG A 76 8.247 3.811 -0.621 1.00 15.00 H new ATOM 0 HH12 ARG A 76 9.940 4.130 -1.014 1.00 15.00 H new ATOM 0 HH21 ARG A 76 10.635 5.724 2.047 1.00 15.00 H new ATOM 0 HH22 ARG A 76 11.282 5.206 0.487 1.00 15.00 H new ATOM 1196 N TRP A 77 1.921 4.690 -0.392 1.00 15.00 N ATOM 1197 CA TRP A 77 0.584 4.143 -0.518 1.00 15.00 C ATOM 1198 C TRP A 77 -0.387 5.009 0.262 1.00 15.00 C ATOM 1199 O TRP A 77 0.031 5.830 1.088 1.00 15.00 O ATOM 1200 CB TRP A 77 0.527 2.681 -0.047 1.00 15.00 C ATOM 1201 CG TRP A 77 0.904 2.460 1.393 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.130 2.099 1.875 1.00 15.00 C ATOM 1203 CD2 TRP A 77 0.041 2.567 2.536 1.00 15.00 C ATOM 1204 NE1 TRP A 77 2.082 1.977 3.244 1.00 15.00 N ATOM 1205 CE2 TRP A 77 0.814 2.267 3.673 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -1.309 2.896 2.709 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 0.280 2.280 4.962 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -1.833 2.912 3.987 1.00 15.00 C ATOM 1209 CH2 TRP A 77 -1.040 2.610 5.099 1.00 15.00 C ATOM 0 H TRP A 77 2.119 5.116 0.513 1.00 15.00 H new ATOM 0 HA TRP A 77 0.300 4.147 -1.570 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.484 2.304 -0.204 1.00 15.00 H new ATOM 0 HB3 TRP A 77 1.190 2.087 -0.676 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.009 1.934 1.269 1.00 15.00 H new ATOM 0 HE1 TRP A 77 2.864 1.713 3.843 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -1.930 3.133 1.858 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 0.888 2.038 5.821 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -2.874 3.162 4.130 1.00 15.00 H new ATOM 0 HH2 TRP A 77 -1.479 2.638 6.085 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.672 4.838 0.007 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.679 5.625 0.695 1.00 15.00 C ATOM 1222 C GLU A 78 -3.883 4.780 1.077 1.00 15.00 C ATOM 1223 O GLU A 78 -4.082 3.677 0.563 1.00 15.00 O ATOM 1224 CB GLU A 78 -3.118 6.812 -0.162 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.720 8.150 0.434 1.00 15.00 C ATOM 1226 CD GLU A 78 -2.978 8.214 1.926 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -2.022 8.026 2.706 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -4.136 8.444 2.324 1.00 15.00 O1- ATOM 0 H GLU A 78 -2.041 4.166 -0.666 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.227 6.002 1.613 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -2.680 6.718 -1.156 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.200 6.783 -0.287 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.662 8.331 0.242 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -3.274 8.946 -0.063 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.679 5.327 1.982 1.00 15.00 N ATOM 1236 CA TYR A 79 -5.876 4.674 2.483 1.00 15.00 C ATOM 1237 C TYR A 79 -7.070 4.965 1.583 1.00 15.00 C ATOM 1238 O TYR A 79 -7.045 5.901 0.781 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.192 5.159 3.896 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.513 4.373 4.991 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -4.506 4.941 5.760 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -5.891 3.068 5.270 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -3.894 4.229 6.775 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -5.283 2.350 6.280 1.00 15.00 C ATOM 1245 CZ TYR A 79 -4.285 2.937 7.030 1.00 15.00 C ATOM 1246 OH TYR A 79 -3.683 2.227 8.043 1.00 15.00 O ATOM 0 H TYR A 79 -4.510 6.245 2.393 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.689 3.600 2.495 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -5.900 6.206 3.982 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.270 5.116 4.049 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -4.196 5.956 5.562 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -6.674 2.606 4.687 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -3.113 4.686 7.364 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -5.587 1.334 6.482 1.00 15.00 H new ATOM 0 HH TYR A 79 -4.075 1.330 8.092 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.109 4.159 1.717 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.321 4.346 0.940 1.00 15.00 C ATOM 1258 C CYS A 80 -10.477 4.658 1.887 1.00 15.00 C ATOM 1259 O CYS A 80 -10.521 4.154 3.011 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.629 3.092 0.115 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.779 3.371 -1.250 1.00 15.00 S ATOM 0 H CYS A 80 -8.137 3.367 2.359 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.183 5.178 0.249 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.696 2.695 -0.285 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -10.043 2.329 0.774 1.00 15.00 H new ATOM 0 HG CYS A 80 -10.974 2.255 -1.888 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.394 5.511 1.447 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.527 5.903 2.273 1.00 15.00 C ATOM 1269 C ASP A 81 -13.819 5.344 1.700 1.00 15.00 C ATOM 1270 O ASP A 81 -14.321 5.830 0.684 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.608 7.427 2.375 1.00 15.00 C ATOM 1272 CG ASP A 81 -13.673 7.889 3.349 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -13.442 7.791 4.573 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -14.742 8.355 2.897 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.375 5.944 0.524 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.385 5.494 3.273 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -11.640 7.819 2.688 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -12.817 7.843 1.389 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.343 4.311 2.342 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.572 3.673 1.892 1.00 15.00 C ATOM 1281 C ILE A 82 -16.563 3.576 3.050 1.00 15.00 C ATOM 1282 O ILE A 82 -16.179 3.213 4.162 1.00 15.00 O ATOM 1283 CB ILE A 82 -15.301 2.252 1.340 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.910 2.171 0.699 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -16.365 1.862 0.327 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -13.426 0.756 0.476 1.00 15.00 C ATOM 0 H ILE A 82 -13.935 3.895 3.179 1.00 15.00 H new ATOM 0 HA ILE A 82 -15.989 4.284 1.092 1.00 15.00 H new ATOM 0 HB ILE A 82 -15.338 1.553 2.176 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -13.929 2.694 -0.257 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -13.196 2.694 1.335 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -16.158 0.860 -0.050 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -17.345 1.875 0.805 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.356 2.571 -0.501 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.436 0.778 0.020 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -13.374 0.234 1.432 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -14.119 0.234 -0.185 1.00 15.00 H new ATOM 1298 N PRO A 83 -17.838 3.932 2.822 1.00 15.00 N ATOM 1299 CA PRO A 83 -18.868 3.870 3.865 1.00 15.00 C ATOM 1300 C PRO A 83 -19.151 2.437 4.313 1.00 15.00 C ATOM 1301 O PRO A 83 -19.494 1.569 3.502 1.00 15.00 O ATOM 1302 CB PRO A 83 -20.101 4.481 3.195 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.860 4.352 1.731 1.00 15.00 C ATOM 1304 CD PRO A 83 -18.372 4.434 1.542 1.00 15.00 C ATOM 0 HA PRO A 83 -18.562 4.395 4.770 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -21.010 3.957 3.491 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.227 5.525 3.482 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -20.249 3.406 1.354 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -20.366 5.146 1.182 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -18.039 3.825 0.701 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -18.048 5.456 1.344 1.00 15.00 H new ATOM 1312 N ARG A 84 -19.005 2.189 5.603 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.236 0.862 6.152 1.00 15.00 C ATOM 1314 C ARG A 84 -20.588 0.806 6.852 1.00 15.00 C ATOM 1315 O ARG A 84 -21.134 1.833 7.263 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.107 0.467 7.111 1.00 15.00 C ATOM 1317 CG ARG A 84 -18.110 1.235 8.423 1.00 15.00 C ATOM 1318 CD ARG A 84 -16.742 1.828 8.731 1.00 15.00 C ATOM 1319 NE ARG A 84 -16.772 3.290 8.709 1.00 15.00 N ATOM 1320 CZ ARG A 84 -15.708 4.065 8.909 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -14.518 3.527 9.151 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -15.835 5.385 8.871 1.00 15.00 N ATOM 0 H ARG A 84 -18.727 2.889 6.291 1.00 15.00 H new ATOM 0 HA ARG A 84 -19.245 0.145 5.331 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.184 -0.599 7.326 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.150 0.624 6.613 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -18.851 2.033 8.376 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -18.409 0.570 9.233 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -16.408 1.485 9.710 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -16.016 1.467 8.002 1.00 15.00 H new ATOM 0 HE ARG A 84 -17.667 3.746 8.529 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -14.414 2.513 9.185 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -13.708 4.128 9.303 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -16.747 5.805 8.689 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -15.021 5.980 9.024 1.00 15.00 H new ATOM 1336 N CYS A 85 -21.129 -0.395 6.966 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.419 -0.598 7.606 1.00 15.00 C ATOM 1338 C CYS A 85 -22.316 -0.354 9.112 1.00 15.00 C ATOM 1339 O CYS A 85 -21.256 -0.564 9.709 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.912 -2.021 7.339 1.00 15.00 C ATOM 1341 SG CYS A 85 -22.661 -2.579 5.637 1.00 15.00 S ATOM 0 H CYS A 85 -20.692 -1.250 6.621 1.00 15.00 H new ATOM 0 HA CYS A 85 -23.131 0.114 7.189 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.398 -2.705 8.014 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.974 -2.077 7.576 1.00 15.00 H new ATOM 0 HG CYS A 85 -21.403 -2.474 5.327 1.00 15.00 H new ATOM 1347 N ALA A 86 -23.413 0.082 9.722 1.00 15.00 N ATOM 1348 CA ALA A 86 -23.445 0.345 11.157 1.00 15.00 C ATOM 1349 C ALA A 86 -23.639 -0.953 11.939 1.00 15.00 C ATOM 1350 O ALA A 86 -24.619 -1.123 12.668 1.00 15.00 O ATOM 1351 CB ALA A 86 -24.549 1.339 11.487 1.00 15.00 C ATOM 0 H ALA A 86 -24.295 0.261 9.243 1.00 15.00 H new ATOM 0 HA ALA A 86 -22.489 0.779 11.450 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -24.561 1.526 12.561 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -24.366 2.274 10.958 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -25.511 0.930 11.179 1.00 15.00 H new ATOM 1357 N ALA A 87 -22.698 -1.865 11.775 1.00 15.00 N ATOM 1358 CA ALA A 87 -22.744 -3.150 12.443 1.00 15.00 C ATOM 1359 C ALA A 87 -21.490 -3.343 13.275 1.00 15.00 C ATOM 1360 O ALA A 87 -20.403 -2.954 12.803 1.00 15.00 O ATOM 1361 CB ALA A 87 -22.883 -4.267 11.420 1.00 15.00 C ATOM 1362 OXT ALA A 87 -21.594 -3.870 14.401 1.00 15.00 O1- ATOM 0 H ALA A 87 -21.883 -1.735 11.176 1.00 15.00 H new ATOM 0 HA ALA A 87 -23.610 -3.179 13.104 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -22.917 -5.228 11.933 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -23.802 -4.127 10.851 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -22.030 -4.247 10.742 1.00 15.00 H new TER 1368 ALA A 87 ATOM 1369 N GLY B 101 20.649 4.460 -13.221 1.00 15.00 N ATOM 1370 CA GLY B 101 19.596 3.788 -14.020 1.00 15.00 C ATOM 1371 C GLY B 101 18.205 4.267 -13.656 1.00 15.00 C ATOM 1372 O GLY B 101 17.405 4.592 -14.535 1.00 15.00 O ATOM 0 HA2 GLY B 101 19.775 3.970 -15.080 1.00 15.00 H new ATOM 0 HA3 GLY B 101 19.659 2.711 -13.867 1.00 15.00 H new ATOM 1378 N SER B 102 17.918 4.329 -12.365 1.00 15.00 N ATOM 1379 CA SER B 102 16.616 4.770 -11.896 1.00 15.00 C ATOM 1380 C SER B 102 16.774 5.518 -10.576 1.00 15.00 C ATOM 1381 O SER B 102 17.849 6.049 -10.286 1.00 15.00 O ATOM 1382 CB SER B 102 15.683 3.564 -11.733 1.00 15.00 C ATOM 1383 OG SER B 102 14.324 3.964 -11.683 1.00 15.00 O ATOM 0 H SER B 102 18.571 4.079 -11.623 1.00 15.00 H new ATOM 0 HA SER B 102 16.174 5.446 -12.628 1.00 15.00 H new ATOM 0 HB2 SER B 102 15.830 2.873 -12.563 1.00 15.00 H new ATOM 0 HB3 SER B 102 15.939 3.025 -10.821 1.00 15.00 H new ATOM 0 HG SER B 102 13.777 3.330 -12.192 1.00 15.00 H new ATOM 1389 N VAL B 103 15.707 5.582 -9.787 1.00 15.00 N ATOM 1390 CA VAL B 103 15.760 6.260 -8.500 1.00 15.00 C ATOM 1391 C VAL B 103 16.602 5.445 -7.518 1.00 15.00 C ATOM 1392 O VAL B 103 16.160 4.435 -6.963 1.00 15.00 O ATOM 1393 CB VAL B 103 14.346 6.549 -7.930 1.00 15.00 C ATOM 1394 CG1 VAL B 103 13.489 5.293 -7.896 1.00 15.00 C ATOM 1395 CG2 VAL B 103 14.429 7.183 -6.547 1.00 15.00 C ATOM 0 H VAL B 103 14.800 5.175 -10.016 1.00 15.00 H new ATOM 0 HA VAL B 103 16.234 7.230 -8.650 1.00 15.00 H new ATOM 0 HB VAL B 103 13.866 7.260 -8.602 1.00 15.00 H new ATOM 0 HG11 VAL B 103 12.506 5.534 -7.491 1.00 15.00 H new ATOM 0 HG12 VAL B 103 13.379 4.900 -8.907 1.00 15.00 H new ATOM 0 HG13 VAL B 103 13.967 4.543 -7.266 1.00 15.00 H new ATOM 0 HG21 VAL B 103 13.423 7.374 -6.173 1.00 15.00 H new ATOM 0 HG22 VAL B 103 14.946 6.506 -5.867 1.00 15.00 H new ATOM 0 HG23 VAL B 103 14.977 8.123 -6.610 1.00 15.00 H new ATOM 1405 N GLU B 104 17.836 5.883 -7.336 1.00 15.00 N ATOM 1406 CA GLU B 104 18.774 5.206 -6.454 1.00 15.00 C ATOM 1407 C GLU B 104 19.162 6.108 -5.291 1.00 15.00 C ATOM 1408 O GLU B 104 20.144 5.859 -4.596 1.00 15.00 O ATOM 1409 CB GLU B 104 20.020 4.792 -7.240 1.00 15.00 C ATOM 1410 CG GLU B 104 19.740 3.791 -8.350 1.00 15.00 C ATOM 1411 CD GLU B 104 20.576 4.038 -9.592 1.00 15.00 C ATOM 1412 OE1 GLU B 104 20.084 3.753 -10.707 1.00 15.00 O ATOM 1413 OE2 GLU B 104 21.721 4.517 -9.460 1.00 15.00 O1- ATOM 0 H GLU B 104 18.215 6.713 -7.792 1.00 15.00 H new ATOM 0 HA GLU B 104 18.294 4.314 -6.051 1.00 15.00 H new ATOM 0 HB2 GLU B 104 20.478 5.682 -7.673 1.00 15.00 H new ATOM 0 HB3 GLU B 104 20.747 4.362 -6.551 1.00 15.00 H new ATOM 0 HG2 GLU B 104 19.934 2.784 -7.982 1.00 15.00 H new ATOM 0 HG3 GLU B 104 18.683 3.835 -8.614 1.00 15.00 H new ATOM 1420 N LYS B 105 18.377 7.161 -5.094 1.00 15.00 N ATOM 1421 CA LYS B 105 18.612 8.115 -4.018 1.00 15.00 C ATOM 1422 C LYS B 105 18.573 7.419 -2.662 1.00 15.00 C ATOM 1423 O LYS B 105 19.445 7.630 -1.817 1.00 15.00 O ATOM 1424 CB LYS B 105 17.562 9.228 -4.068 1.00 15.00 C ATOM 1425 CG LYS B 105 17.734 10.280 -2.983 1.00 15.00 C ATOM 1426 CD LYS B 105 16.655 11.347 -3.063 1.00 15.00 C ATOM 1427 CE LYS B 105 17.022 12.572 -2.242 1.00 15.00 C ATOM 1428 NZ LYS B 105 16.150 13.729 -2.564 1.00 15.00 N1+ ATOM 0 H LYS B 105 17.565 7.376 -5.672 1.00 15.00 H new ATOM 0 HA LYS B 105 19.602 8.551 -4.152 1.00 15.00 H new ATOM 0 HB2 LYS B 105 17.606 9.714 -5.043 1.00 15.00 H new ATOM 0 HB3 LYS B 105 16.570 8.784 -3.978 1.00 15.00 H new ATOM 0 HG2 LYS B 105 17.702 9.802 -2.004 1.00 15.00 H new ATOM 0 HG3 LYS B 105 18.715 10.746 -3.079 1.00 15.00 H new ATOM 0 HD2 LYS B 105 16.504 11.636 -4.103 1.00 15.00 H new ATOM 0 HD3 LYS B 105 15.710 10.938 -2.706 1.00 15.00 H new ATOM 0 HE2 LYS B 105 16.939 12.337 -1.181 1.00 15.00 H new ATOM 0 HE3 LYS B 105 18.063 12.837 -2.429 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 16.592 14.604 -2.218 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 16.021 13.790 -3.594 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 15.225 13.604 -2.106 1.00 15.00 H new ATOM 1442 N LEU B 106 17.571 6.575 -2.471 1.00 15.00 N ATOM 1443 CA LEU B 106 17.415 5.845 -1.225 1.00 15.00 C ATOM 1444 C LEU B 106 17.993 4.442 -1.373 1.00 15.00 C ATOM 1445 O LEU B 106 17.321 3.445 -1.103 1.00 15.00 O ATOM 1446 CB LEU B 106 15.937 5.773 -0.812 1.00 15.00 C ATOM 1447 CG LEU B 106 15.297 7.097 -0.363 1.00 15.00 C ATOM 1448 CD1 LEU B 106 16.280 7.936 0.445 1.00 15.00 C ATOM 1449 CD2 LEU B 106 14.774 7.883 -1.560 1.00 15.00 C ATOM 0 H LEU B 106 16.851 6.379 -3.167 1.00 15.00 H new ATOM 0 HA LEU B 106 17.958 6.375 -0.442 1.00 15.00 H new ATOM 0 HB2 LEU B 106 15.364 5.382 -1.653 1.00 15.00 H new ATOM 0 HB3 LEU B 106 15.842 5.053 0.001 1.00 15.00 H new ATOM 0 HG LEU B 106 14.451 6.856 0.281 1.00 15.00 H new ATOM 0 HD11 LEU B 106 15.800 8.866 0.749 1.00 15.00 H new ATOM 0 HD12 LEU B 106 16.590 7.381 1.331 1.00 15.00 H new ATOM 0 HD13 LEU B 106 17.154 8.161 -0.166 1.00 15.00 H new ATOM 0 HD21 LEU B 106 14.326 8.815 -1.216 1.00 15.00 H new ATOM 0 HD22 LEU B 106 15.598 8.105 -2.238 1.00 15.00 H new ATOM 0 HD23 LEU B 106 14.023 7.291 -2.084 1.00 15.00 H new ATOM 1461 N THR B 107 19.244 4.381 -1.809 1.00 15.00 N ATOM 1462 CA THR B 107 19.937 3.120 -2.023 1.00 15.00 C ATOM 1463 C THR B 107 20.029 2.295 -0.742 1.00 15.00 C ATOM 1464 O THR B 107 19.871 1.075 -0.767 1.00 15.00 O ATOM 1465 CB THR B 107 21.349 3.381 -2.561 1.00 15.00 C ATOM 1466 OG1 THR B 107 21.570 4.797 -2.633 1.00 15.00 O ATOM 1467 CG2 THR B 107 21.533 2.765 -3.938 1.00 15.00 C ATOM 0 H THR B 107 19.806 5.205 -2.024 1.00 15.00 H new ATOM 0 HA THR B 107 19.359 2.551 -2.751 1.00 15.00 H new ATOM 0 HB THR B 107 22.070 2.922 -1.885 1.00 15.00 H new ATOM 0 HG1 THR B 107 21.373 5.113 -3.539 1.00 15.00 H new ATOM 0 HG21 THR B 107 22.543 2.966 -4.294 1.00 15.00 H new ATOM 0 HG22 THR B 107 21.377 1.688 -3.879 1.00 15.00 H new ATOM 0 HG23 THR B 107 20.811 3.199 -4.630 1.00 15.00 H new ATOM 1475 N ALA B 108 20.277 2.962 0.376 1.00 15.00 N ATOM 1476 CA ALA B 108 20.388 2.280 1.658 1.00 15.00 C ATOM 1477 C ALA B 108 19.013 1.851 2.156 1.00 15.00 C ATOM 1478 O ALA B 108 18.836 0.727 2.623 1.00 15.00 O ATOM 1479 CB ALA B 108 21.070 3.174 2.682 1.00 15.00 C ATOM 0 H ALA B 108 20.405 3.973 0.422 1.00 15.00 H new ATOM 0 HA ALA B 108 20.999 1.388 1.520 1.00 15.00 H new ATOM 0 HB1 ALA B 108 21.144 2.647 3.633 1.00 15.00 H new ATOM 0 HB2 ALA B 108 22.069 3.432 2.332 1.00 15.00 H new ATOM 0 HB3 ALA B 108 20.486 4.085 2.816 1.00 15.00 H new ATOM 1485 N ASP B 109 18.043 2.751 2.033 1.00 15.00 N ATOM 1486 CA ASP B 109 16.674 2.484 2.471 1.00 15.00 C ATOM 1487 C ASP B 109 16.102 1.276 1.743 1.00 15.00 C ATOM 1488 O ASP B 109 15.572 0.352 2.366 1.00 15.00 O ATOM 1489 CB ASP B 109 15.787 3.705 2.210 1.00 15.00 C ATOM 1490 CG ASP B 109 14.946 4.093 3.411 1.00 15.00 C ATOM 1491 OD1 ASP B 109 14.848 5.306 3.699 1.00 15.00 O ATOM 1492 OD2 ASP B 109 14.385 3.196 4.072 1.00 15.00 O1- ATOM 0 H ASP B 109 18.179 3.678 1.631 1.00 15.00 H new ATOM 0 HA ASP B 109 16.695 2.274 3.540 1.00 15.00 H new ATOM 0 HB2 ASP B 109 16.415 4.549 1.925 1.00 15.00 H new ATOM 0 HB3 ASP B 109 15.130 3.496 1.365 1.00 15.00 H new ATOM 1497 N ALA B 110 16.232 1.282 0.420 1.00 15.00 N ATOM 1498 CA ALA B 110 15.727 0.194 -0.405 1.00 15.00 C ATOM 1499 C ALA B 110 16.463 -1.108 -0.109 1.00 15.00 C ATOM 1500 O ALA B 110 15.858 -2.177 -0.084 1.00 15.00 O ATOM 1501 CB ALA B 110 15.844 0.547 -1.880 1.00 15.00 C ATOM 0 H ALA B 110 16.684 2.031 -0.103 1.00 15.00 H new ATOM 0 HA ALA B 110 14.674 0.048 -0.163 1.00 15.00 H new ATOM 0 HB1 ALA B 110 15.462 -0.277 -2.483 1.00 15.00 H new ATOM 0 HB2 ALA B 110 15.264 1.447 -2.086 1.00 15.00 H new ATOM 0 HB3 ALA B 110 16.890 0.725 -2.130 1.00 15.00 H new ATOM 1507 N GLU B 111 17.768 -1.008 0.124 1.00 15.00 N ATOM 1508 CA GLU B 111 18.593 -2.173 0.424 1.00 15.00 C ATOM 1509 C GLU B 111 18.089 -2.879 1.679 1.00 15.00 C ATOM 1510 O GLU B 111 17.825 -4.082 1.666 1.00 15.00 O ATOM 1511 CB GLU B 111 20.050 -1.755 0.621 1.00 15.00 C ATOM 1512 CG GLU B 111 21.041 -2.891 0.439 1.00 15.00 C ATOM 1513 CD GLU B 111 21.469 -3.054 -1.003 1.00 15.00 C ATOM 1514 OE1 GLU B 111 20.803 -3.798 -1.753 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.474 -2.430 -1.399 1.00 15.00 O1- ATOM 0 H GLU B 111 18.280 -0.126 0.111 1.00 15.00 H new ATOM 0 HA GLU B 111 18.528 -2.861 -0.419 1.00 15.00 H new ATOM 0 HB2 GLU B 111 20.289 -0.960 -0.085 1.00 15.00 H new ATOM 0 HB3 GLU B 111 20.167 -1.339 1.622 1.00 15.00 H new ATOM 0 HG2 GLU B 111 21.919 -2.707 1.058 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.593 -3.821 0.790 1.00 15.00 H new ATOM 1522 N LEU B 112 17.936 -2.113 2.751 1.00 15.00 N ATOM 1523 CA LEU B 112 17.473 -2.652 4.024 1.00 15.00 C ATOM 1524 C LEU B 112 16.075 -3.238 3.894 1.00 15.00 C ATOM 1525 O LEU B 112 15.801 -4.329 4.396 1.00 15.00 O ATOM 1526 CB LEU B 112 17.474 -1.561 5.094 1.00 15.00 C ATOM 1527 CG LEU B 112 18.792 -0.807 5.256 1.00 15.00 C ATOM 1528 CD1 LEU B 112 18.611 0.371 6.197 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.879 -1.735 5.768 1.00 15.00 C ATOM 0 H LEU B 112 18.127 -1.111 2.764 1.00 15.00 H new ATOM 0 HA LEU B 112 18.157 -3.448 4.318 1.00 15.00 H new ATOM 0 HB2 LEU B 112 16.690 -0.842 4.857 1.00 15.00 H new ATOM 0 HB3 LEU B 112 17.213 -2.013 6.051 1.00 15.00 H new ATOM 0 HG LEU B 112 19.097 -0.429 4.280 1.00 15.00 H new ATOM 0 HD11 LEU B 112 19.558 0.900 6.304 1.00 15.00 H new ATOM 0 HD12 LEU B 112 17.860 1.049 5.791 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.285 0.011 7.173 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.810 -1.179 5.877 1.00 15.00 H new ATOM 0 HD22 LEU B 112 19.584 -2.142 6.735 1.00 15.00 H new ATOM 0 HD23 LEU B 112 20.024 -2.551 5.060 1.00 15.00 H new ATOM 1541 N GLN B 113 15.201 -2.515 3.206 1.00 15.00 N ATOM 1542 CA GLN B 113 13.826 -2.952 3.016 1.00 15.00 C ATOM 1543 C GLN B 113 13.765 -4.240 2.199 1.00 15.00 C ATOM 1544 O GLN B 113 13.030 -5.163 2.546 1.00 15.00 O ATOM 1545 CB GLN B 113 13.001 -1.854 2.336 1.00 15.00 C ATOM 1546 CG GLN B 113 11.513 -2.170 2.250 1.00 15.00 C ATOM 1547 CD GLN B 113 10.878 -2.390 3.610 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.420 -1.448 4.256 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.836 -3.637 4.054 1.00 15.00 N ATOM 0 H GLN B 113 15.422 -1.620 2.769 1.00 15.00 H new ATOM 0 HA GLN B 113 13.401 -3.153 4.000 1.00 15.00 H new ATOM 0 HB2 GLN B 113 13.134 -0.921 2.883 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.388 -1.692 1.330 1.00 15.00 H new ATOM 0 HG2 GLN B 113 11.001 -1.352 1.744 1.00 15.00 H new ATOM 0 HG3 GLN B 113 11.370 -3.062 1.639 1.00 15.00 H new ATOM 0 HE21 GLN B 113 11.226 -4.392 3.490 1.00 15.00 H new ATOM 0 HE22 GLN B 113 10.414 -3.842 4.960 1.00 15.00 H new ATOM 1558 N ARG B 114 14.541 -4.302 1.124 1.00 15.00 N ATOM 1559 CA ARG B 114 14.564 -5.479 0.261 1.00 15.00 C ATOM 1560 C ARG B 114 15.136 -6.689 0.992 1.00 15.00 C ATOM 1561 O ARG B 114 14.552 -7.770 0.957 1.00 15.00 O ATOM 1562 CB ARG B 114 15.368 -5.201 -1.014 1.00 15.00 C ATOM 1563 CG ARG B 114 15.544 -6.423 -1.905 1.00 15.00 C ATOM 1564 CD ARG B 114 15.927 -6.035 -3.324 1.00 15.00 C ATOM 1565 NE ARG B 114 14.826 -5.379 -4.031 1.00 15.00 N ATOM 1566 CZ ARG B 114 14.679 -5.388 -5.356 1.00 15.00 C ATOM 1567 NH1 ARG B 114 15.553 -6.025 -6.124 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 13.651 -4.763 -5.917 1.00 15.00 N ATOM 0 H ARG B 114 15.164 -3.551 0.828 1.00 15.00 H new ATOM 0 HA ARG B 114 13.535 -5.705 -0.017 1.00 15.00 H new ATOM 0 HB2 ARG B 114 14.870 -4.416 -1.583 1.00 15.00 H new ATOM 0 HB3 ARG B 114 16.351 -4.819 -0.737 1.00 15.00 H new ATOM 0 HG2 ARG B 114 16.313 -7.072 -1.485 1.00 15.00 H new ATOM 0 HG3 ARG B 114 14.618 -6.997 -1.922 1.00 15.00 H new ATOM 0 HD2 ARG B 114 16.789 -5.368 -3.297 1.00 15.00 H new ATOM 0 HD3 ARG B 114 16.231 -6.926 -3.874 1.00 15.00 H new ATOM 0 HE ARG B 114 14.128 -4.884 -3.476 1.00 15.00 H new ATOM 0 HH11 ARG B 114 16.343 -6.512 -5.701 1.00 15.00 H new ATOM 0 HH12 ARG B 114 15.435 -6.028 -7.137 1.00 15.00 H new ATOM 0 HH21 ARG B 114 12.971 -4.274 -5.334 1.00 15.00 H new ATOM 0 HH22 ARG B 114 13.541 -4.771 -6.931 1.00 15.00 H new ATOM 1582 N LEU B 115 16.268 -6.503 1.662 1.00 15.00 N ATOM 1583 CA LEU B 115 16.908 -7.591 2.395 1.00 15.00 C ATOM 1584 C LEU B 115 15.981 -8.132 3.482 1.00 15.00 C ATOM 1585 O LEU B 115 15.833 -9.343 3.637 1.00 15.00 O ATOM 1586 CB LEU B 115 18.227 -7.118 3.011 1.00 15.00 C ATOM 1587 CG LEU B 115 19.083 -8.212 3.656 1.00 15.00 C ATOM 1588 CD1 LEU B 115 19.529 -9.231 2.616 1.00 15.00 C ATOM 1589 CD2 LEU B 115 20.287 -7.598 4.359 1.00 15.00 C ATOM 0 H LEU B 115 16.761 -5.612 1.713 1.00 15.00 H new ATOM 0 HA LEU B 115 17.119 -8.396 1.691 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.816 -6.630 2.234 1.00 15.00 H new ATOM 0 HB3 LEU B 115 18.006 -6.362 3.765 1.00 15.00 H new ATOM 0 HG LEU B 115 18.477 -8.730 4.399 1.00 15.00 H new ATOM 0 HD11 LEU B 115 20.136 -9.999 3.096 1.00 15.00 H new ATOM 0 HD12 LEU B 115 18.653 -9.693 2.160 1.00 15.00 H new ATOM 0 HD13 LEU B 115 20.118 -8.732 1.847 1.00 15.00 H new ATOM 0 HD21 LEU B 115 20.886 -8.388 4.812 1.00 15.00 H new ATOM 0 HD22 LEU B 115 20.893 -7.054 3.634 1.00 15.00 H new ATOM 0 HD23 LEU B 115 19.945 -6.912 5.134 1.00 15.00 H new ATOM 1601 N LYS B 116 15.342 -7.223 4.208 1.00 15.00 N ATOM 1602 CA LYS B 116 14.427 -7.599 5.281 1.00 15.00 C ATOM 1603 C LYS B 116 13.203 -8.317 4.718 1.00 15.00 C ATOM 1604 O LYS B 116 12.798 -9.365 5.223 1.00 15.00 O ATOM 1605 CB LYS B 116 13.981 -6.354 6.056 1.00 15.00 C ATOM 1606 CG LYS B 116 13.405 -6.658 7.429 1.00 15.00 C ATOM 1607 CD LYS B 116 12.865 -5.401 8.095 1.00 15.00 C ATOM 1608 CE LYS B 116 12.768 -5.572 9.603 1.00 15.00 C ATOM 1609 NZ LYS B 116 12.273 -4.341 10.275 1.00 15.00 N1+ ATOM 0 H LYS B 116 15.440 -6.217 4.073 1.00 15.00 H new ATOM 0 HA LYS B 116 14.952 -8.275 5.956 1.00 15.00 H new ATOM 0 HB2 LYS B 116 14.833 -5.684 6.170 1.00 15.00 H new ATOM 0 HB3 LYS B 116 13.233 -5.821 5.469 1.00 15.00 H new ATOM 0 HG2 LYS B 116 12.606 -7.394 7.335 1.00 15.00 H new ATOM 0 HG3 LYS B 116 14.176 -7.103 8.058 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.515 -4.557 7.864 1.00 15.00 H new ATOM 0 HD3 LYS B 116 11.881 -5.166 7.690 1.00 15.00 H new ATOM 0 HE2 LYS B 116 12.100 -6.403 9.831 1.00 15.00 H new ATOM 0 HE3 LYS B 116 13.748 -5.833 10.002 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 12.271 -4.485 11.305 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 12.895 -3.542 10.038 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 11.306 -4.134 9.952 1.00 15.00 H new ATOM 1623 N ASN B 117 12.629 -7.749 3.661 1.00 15.00 N ATOM 1624 CA ASN B 117 11.445 -8.318 3.020 1.00 15.00 C ATOM 1625 C ASN B 117 11.730 -9.703 2.444 1.00 15.00 C ATOM 1626 O ASN B 117 10.992 -10.652 2.701 1.00 15.00 O ATOM 1627 CB ASN B 117 10.943 -7.384 1.908 1.00 15.00 C ATOM 1628 CG ASN B 117 9.844 -8.007 1.065 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.662 -7.891 1.379 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.229 -8.659 -0.022 1.00 15.00 N ATOM 0 H ASN B 117 12.967 -6.890 3.227 1.00 15.00 H new ATOM 0 HA ASN B 117 10.673 -8.422 3.783 1.00 15.00 H new ATOM 0 HB2 ASN B 117 10.572 -6.461 2.355 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.779 -7.113 1.263 1.00 15.00 H new ATOM 0 HD21 ASN B 117 9.534 -9.087 -0.633 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.221 -8.733 -0.248 1.00 15.00 H new ATOM 1637 N GLU B 118 12.820 -9.814 1.694 1.00 15.00 N ATOM 1638 CA GLU B 118 13.193 -11.075 1.062 1.00 15.00 C ATOM 1639 C GLU B 118 13.460 -12.170 2.094 1.00 15.00 C ATOM 1640 O GLU B 118 13.175 -13.343 1.852 1.00 15.00 O ATOM 1641 CB GLU B 118 14.418 -10.873 0.179 1.00 15.00 C ATOM 1642 CG GLU B 118 14.280 -11.509 -1.192 1.00 15.00 C ATOM 1643 CD GLU B 118 14.864 -10.648 -2.290 1.00 15.00 C ATOM 1644 OE1 GLU B 118 16.081 -10.768 -2.552 1.00 15.00 O ATOM 1645 OE2 GLU B 118 14.109 -9.858 -2.899 1.00 15.00 O1- ATOM 0 H GLU B 118 13.463 -9.044 1.508 1.00 15.00 H new ATOM 0 HA GLU B 118 12.353 -11.401 0.448 1.00 15.00 H new ATOM 0 HB2 GLU B 118 14.600 -9.805 0.060 1.00 15.00 H new ATOM 0 HB3 GLU B 118 15.291 -11.291 0.680 1.00 15.00 H new ATOM 0 HG2 GLU B 118 14.778 -12.479 -1.191 1.00 15.00 H new ATOM 0 HG3 GLU B 118 13.226 -11.692 -1.400 1.00 15.00 H new ATOM 1652 N ALA B 119 14.004 -11.792 3.244 1.00 15.00 N ATOM 1653 CA ALA B 119 14.282 -12.757 4.298 1.00 15.00 C ATOM 1654 C ALA B 119 12.987 -13.150 4.998 1.00 15.00 C ATOM 1655 O ALA B 119 12.821 -14.280 5.451 1.00 15.00 O ATOM 1656 CB ALA B 119 15.275 -12.189 5.301 1.00 15.00 C ATOM 0 H ALA B 119 14.260 -10.831 3.469 1.00 15.00 H new ATOM 0 HA ALA B 119 14.725 -13.645 3.848 1.00 15.00 H new ATOM 0 HB1 ALA B 119 15.468 -12.927 6.080 1.00 15.00 H new ATOM 0 HB2 ALA B 119 16.208 -11.946 4.792 1.00 15.00 H new ATOM 0 HB3 ALA B 119 14.862 -11.286 5.751 1.00 15.00 H new ATOM 1662 N ALA B 120 12.065 -12.202 5.062 1.00 15.00 N ATOM 1663 CA ALA B 120 10.774 -12.418 5.699 1.00 15.00 C ATOM 1664 C ALA B 120 9.828 -13.200 4.792 1.00 15.00 C ATOM 1665 O ALA B 120 8.831 -13.749 5.255 1.00 15.00 O ATOM 1666 CB ALA B 120 10.148 -11.086 6.082 1.00 15.00 C ATOM 0 H ALA B 120 12.189 -11.266 4.676 1.00 15.00 H new ATOM 0 HA ALA B 120 10.941 -13.009 6.600 1.00 15.00 H new ATOM 0 HB1 ALA B 120 9.183 -11.261 6.557 1.00 15.00 H new ATOM 0 HB2 ALA B 120 10.805 -10.562 6.776 1.00 15.00 H new ATOM 0 HB3 ALA B 120 10.007 -10.480 5.187 1.00 15.00 H new ATOM 1672 N GLU B 121 10.157 -13.235 3.500 1.00 15.00 N ATOM 1673 CA GLU B 121 9.361 -13.924 2.472 1.00 15.00 C ATOM 1674 C GLU B 121 8.925 -15.338 2.886 1.00 15.00 C ATOM 1675 O GLU B 121 7.945 -15.859 2.361 1.00 15.00 O ATOM 1676 CB GLU B 121 10.168 -14.009 1.176 1.00 15.00 C ATOM 1677 CG GLU B 121 9.406 -13.563 -0.061 1.00 15.00 C ATOM 1678 CD GLU B 121 9.840 -12.197 -0.551 1.00 15.00 C ATOM 1679 OE1 GLU B 121 9.082 -11.229 -0.354 1.00 15.00 O ATOM 1680 OE2 GLU B 121 10.930 -12.093 -1.149 1.00 15.00 O1- ATOM 0 H GLU B 121 10.992 -12.782 3.129 1.00 15.00 H new ATOM 0 HA GLU B 121 8.453 -13.337 2.333 1.00 15.00 H new ATOM 0 HB2 GLU B 121 11.064 -13.397 1.278 1.00 15.00 H new ATOM 0 HB3 GLU B 121 10.499 -15.038 1.034 1.00 15.00 H new ATOM 0 HG2 GLU B 121 9.552 -14.294 -0.856 1.00 15.00 H new ATOM 0 HG3 GLU B 121 8.339 -13.543 0.161 1.00 15.00 H new ATOM 1687 N GLU B 122 9.660 -15.959 3.803 1.00 15.00 N ATOM 1688 CA GLU B 122 9.324 -17.299 4.266 1.00 15.00 C ATOM 1689 C GLU B 122 7.972 -17.313 4.990 1.00 15.00 C ATOM 1690 O GLU B 122 7.046 -18.009 4.572 1.00 15.00 O ATOM 1691 CB GLU B 122 10.426 -17.835 5.181 1.00 15.00 C ATOM 1692 CG GLU B 122 10.201 -19.269 5.630 1.00 15.00 C ATOM 1693 CD GLU B 122 11.495 -20.034 5.784 1.00 15.00 C ATOM 1694 OE1 GLU B 122 12.196 -19.824 6.791 1.00 15.00 O ATOM 1695 OE2 GLU B 122 11.822 -20.848 4.892 1.00 15.00 O1- ATOM 0 H GLU B 122 10.490 -15.556 4.239 1.00 15.00 H new ATOM 0 HA GLU B 122 9.243 -17.948 3.394 1.00 15.00 H new ATOM 0 HB2 GLU B 122 11.381 -17.772 4.660 1.00 15.00 H new ATOM 0 HB3 GLU B 122 10.499 -17.195 6.060 1.00 15.00 H new ATOM 0 HG2 GLU B 122 9.666 -19.270 6.580 1.00 15.00 H new ATOM 0 HG3 GLU B 122 9.565 -19.778 4.906 1.00 15.00 H new ATOM 1702 N ALA B 123 7.859 -16.543 6.069 1.00 15.00 N ATOM 1703 CA ALA B 123 6.614 -16.485 6.834 1.00 15.00 C ATOM 1704 C ALA B 123 6.410 -15.116 7.479 1.00 15.00 C ATOM 1705 O ALA B 123 5.276 -14.661 7.641 1.00 15.00 O ATOM 1706 CB ALA B 123 6.593 -17.572 7.896 1.00 15.00 C ATOM 0 H ALA B 123 8.608 -15.954 6.433 1.00 15.00 H new ATOM 0 HA ALA B 123 5.793 -16.650 6.136 1.00 15.00 H new ATOM 0 HB1 ALA B 123 5.660 -17.515 8.456 1.00 15.00 H new ATOM 0 HB2 ALA B 123 6.671 -18.549 7.418 1.00 15.00 H new ATOM 0 HB3 ALA B 123 7.434 -17.433 8.576 1.00 15.00 H new ATOM 1712 N GLU B 124 7.511 -14.458 7.829 1.00 15.00 N ATOM 1713 CA GLU B 124 7.467 -13.140 8.457 1.00 15.00 C ATOM 1714 C GLU B 124 6.882 -12.088 7.516 1.00 15.00 C ATOM 1715 O GLU B 124 6.628 -10.958 7.924 1.00 15.00 O ATOM 1716 CB GLU B 124 8.872 -12.710 8.883 1.00 15.00 C ATOM 1717 CG GLU B 124 9.283 -13.203 10.256 1.00 15.00 C ATOM 1718 CD GLU B 124 9.145 -12.137 11.320 1.00 15.00 C ATOM 1719 OE1 GLU B 124 8.110 -12.114 12.012 1.00 15.00 O ATOM 1720 OE2 GLU B 124 10.076 -11.319 11.477 1.00 15.00 O1- ATOM 0 H GLU B 124 8.454 -14.820 7.687 1.00 15.00 H new ATOM 0 HA GLU B 124 6.822 -13.217 9.332 1.00 15.00 H new ATOM 0 HB2 GLU B 124 9.590 -13.075 8.148 1.00 15.00 H new ATOM 0 HB3 GLU B 124 8.927 -11.621 8.869 1.00 15.00 H new ATOM 0 HG2 GLU B 124 8.672 -14.064 10.527 1.00 15.00 H new ATOM 0 HG3 GLU B 124 10.317 -13.545 10.221 1.00 15.00 H new ATOM 1727 N LEU B 125 6.681 -12.468 6.258 1.00 15.00 N ATOM 1728 CA LEU B 125 6.124 -11.577 5.246 1.00 15.00 C ATOM 1729 C LEU B 125 4.801 -10.980 5.712 1.00 15.00 C ATOM 1730 O LEU B 125 4.481 -9.833 5.393 1.00 15.00 O ATOM 1731 CB LEU B 125 5.917 -12.343 3.937 1.00 15.00 C ATOM 1732 CG LEU B 125 5.514 -11.488 2.734 1.00 15.00 C ATOM 1733 CD1 LEU B 125 6.683 -10.637 2.267 1.00 15.00 C ATOM 1734 CD2 LEU B 125 5.008 -12.368 1.604 1.00 15.00 C ATOM 0 H LEU B 125 6.900 -13.402 5.912 1.00 15.00 H new ATOM 0 HA LEU B 125 6.828 -10.761 5.083 1.00 15.00 H new ATOM 0 HB2 LEU B 125 6.840 -12.870 3.694 1.00 15.00 H new ATOM 0 HB3 LEU B 125 5.150 -13.101 4.096 1.00 15.00 H new ATOM 0 HG LEU B 125 4.707 -10.821 3.039 1.00 15.00 H new ATOM 0 HD11 LEU B 125 6.376 -10.036 1.411 1.00 15.00 H new ATOM 0 HD12 LEU B 125 7.001 -9.980 3.076 1.00 15.00 H new ATOM 0 HD13 LEU B 125 7.512 -11.284 1.978 1.00 15.00 H new ATOM 0 HD21 LEU B 125 4.725 -11.744 0.756 1.00 15.00 H new ATOM 0 HD22 LEU B 125 5.795 -13.059 1.300 1.00 15.00 H new ATOM 0 HD23 LEU B 125 4.140 -12.933 1.944 1.00 15.00 H new ATOM 1746 N GLU B 126 4.041 -11.764 6.469 1.00 15.00 N ATOM 1747 CA GLU B 126 2.763 -11.314 6.992 1.00 15.00 C ATOM 1748 C GLU B 126 2.968 -10.158 7.965 1.00 15.00 C ATOM 1749 O GLU B 126 2.292 -9.138 7.874 1.00 15.00 O ATOM 1750 CB GLU B 126 2.037 -12.465 7.682 1.00 15.00 C ATOM 1751 CG GLU B 126 1.467 -13.488 6.711 1.00 15.00 C ATOM 1752 CD GLU B 126 0.522 -12.861 5.709 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -0.658 -12.643 6.051 1.00 15.00 O ATOM 1754 OE2 GLU B 126 0.954 -12.563 4.578 1.00 15.00 O1- ATOM 0 H GLU B 126 4.292 -12.717 6.733 1.00 15.00 H new ATOM 0 HA GLU B 126 2.150 -10.966 6.161 1.00 15.00 H new ATOM 0 HB2 GLU B 126 2.727 -12.965 8.361 1.00 15.00 H new ATOM 0 HB3 GLU B 126 1.227 -12.062 8.290 1.00 15.00 H new ATOM 0 HG2 GLU B 126 2.284 -13.977 6.180 1.00 15.00 H new ATOM 0 HG3 GLU B 126 0.941 -14.262 7.269 1.00 15.00 H new ATOM 1761 N ARG B 127 3.925 -10.315 8.870 1.00 15.00 N ATOM 1762 CA ARG B 127 4.222 -9.278 9.850 1.00 15.00 C ATOM 1763 C ARG B 127 4.912 -8.096 9.175 1.00 15.00 C ATOM 1764 O ARG B 127 4.734 -6.947 9.576 1.00 15.00 O ATOM 1765 CB ARG B 127 5.095 -9.826 10.977 1.00 15.00 C ATOM 1766 CG ARG B 127 5.122 -8.921 12.193 1.00 15.00 C ATOM 1767 CD ARG B 127 6.182 -9.347 13.192 1.00 15.00 C ATOM 1768 NE ARG B 127 7.500 -9.473 12.571 1.00 15.00 N ATOM 1769 CZ ARG B 127 8.273 -8.438 12.242 1.00 15.00 C ATOM 1770 NH1 ARG B 127 7.863 -7.195 12.477 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 9.461 -8.647 11.685 1.00 15.00 N ATOM 0 H ARG B 127 4.508 -11.149 8.946 1.00 15.00 H new ATOM 0 HA ARG B 127 3.281 -8.938 10.283 1.00 15.00 H new ATOM 0 HB2 ARG B 127 4.727 -10.809 11.270 1.00 15.00 H new ATOM 0 HB3 ARG B 127 6.112 -9.963 10.609 1.00 15.00 H new ATOM 0 HG2 ARG B 127 5.312 -7.895 11.878 1.00 15.00 H new ATOM 0 HG3 ARG B 127 4.144 -8.931 12.675 1.00 15.00 H new ATOM 0 HD2 ARG B 127 6.231 -8.619 14.002 1.00 15.00 H new ATOM 0 HD3 ARG B 127 5.898 -10.301 13.637 1.00 15.00 H new ATOM 0 HE ARG B 127 7.850 -10.411 12.378 1.00 15.00 H new ATOM 0 HH11 ARG B 127 6.954 -7.031 12.910 1.00 15.00 H new ATOM 0 HH12 ARG B 127 8.457 -6.406 12.224 1.00 15.00 H new ATOM 0 HH21 ARG B 127 9.781 -9.599 11.509 1.00 15.00 H new ATOM 0 HH22 ARG B 127 10.053 -7.855 11.433 1.00 15.00 H new ATOM 1785 N LEU B 128 5.709 -8.395 8.150 1.00 15.00 N ATOM 1786 CA LEU B 128 6.405 -7.366 7.377 1.00 15.00 C ATOM 1787 C LEU B 128 5.362 -6.450 6.750 1.00 15.00 C ATOM 1788 O LEU B 128 5.518 -5.229 6.701 1.00 15.00 O ATOM 1789 CB LEU B 128 7.276 -8.027 6.292 1.00 15.00 C ATOM 1790 CG LEU B 128 8.136 -7.094 5.421 1.00 15.00 C ATOM 1791 CD1 LEU B 128 7.359 -6.610 4.203 1.00 15.00 C ATOM 1792 CD2 LEU B 128 8.666 -5.916 6.229 1.00 15.00 C ATOM 0 H LEU B 128 5.890 -9.348 7.834 1.00 15.00 H new ATOM 0 HA LEU B 128 7.060 -6.782 8.024 1.00 15.00 H new ATOM 0 HB2 LEU B 128 7.939 -8.742 6.779 1.00 15.00 H new ATOM 0 HB3 LEU B 128 6.621 -8.597 5.633 1.00 15.00 H new ATOM 0 HG LEU B 128 8.992 -7.669 5.069 1.00 15.00 H new ATOM 0 HD11 LEU B 128 7.991 -5.953 3.606 1.00 15.00 H new ATOM 0 HD12 LEU B 128 7.055 -7.467 3.601 1.00 15.00 H new ATOM 0 HD13 LEU B 128 6.474 -6.064 4.529 1.00 15.00 H new ATOM 0 HD21 LEU B 128 9.270 -5.276 5.586 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.829 -5.343 6.629 1.00 15.00 H new ATOM 0 HD23 LEU B 128 9.279 -6.285 7.051 1.00 15.00 H new ATOM 1804 N LYS B 129 4.288 -7.073 6.295 1.00 15.00 N ATOM 1805 CA LYS B 129 3.171 -6.377 5.680 1.00 15.00 C ATOM 1806 C LYS B 129 2.552 -5.402 6.675 1.00 15.00 C ATOM 1807 O LYS B 129 2.298 -4.241 6.355 1.00 15.00 O ATOM 1808 CB LYS B 129 2.144 -7.415 5.234 1.00 15.00 C ATOM 1809 CG LYS B 129 0.958 -6.865 4.465 1.00 15.00 C ATOM 1810 CD LYS B 129 -0.184 -7.872 4.440 1.00 15.00 C ATOM 1811 CE LYS B 129 0.283 -9.258 4.013 1.00 15.00 C ATOM 1812 NZ LYS B 129 -0.581 -10.334 4.570 1.00 15.00 N1+ ATOM 0 H LYS B 129 4.166 -8.085 6.343 1.00 15.00 H new ATOM 0 HA LYS B 129 3.512 -5.805 4.817 1.00 15.00 H new ATOM 0 HB2 LYS B 129 2.647 -8.156 4.612 1.00 15.00 H new ATOM 0 HB3 LYS B 129 1.773 -7.938 6.116 1.00 15.00 H new ATOM 0 HG2 LYS B 129 0.620 -5.936 4.925 1.00 15.00 H new ATOM 0 HG3 LYS B 129 1.260 -6.625 3.445 1.00 15.00 H new ATOM 0 HD2 LYS B 129 -0.636 -7.931 5.430 1.00 15.00 H new ATOM 0 HD3 LYS B 129 -0.958 -7.524 3.756 1.00 15.00 H new ATOM 0 HE2 LYS B 129 0.284 -9.321 2.925 1.00 15.00 H new ATOM 0 HE3 LYS B 129 1.311 -9.412 4.342 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -0.302 -11.249 4.162 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -0.471 -10.368 5.604 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -1.575 -10.138 4.334 1.00 15.00 H new ATOM 1826 N SER B 130 2.322 -5.890 7.888 1.00 15.00 N ATOM 1827 CA SER B 130 1.749 -5.082 8.952 1.00 15.00 C ATOM 1828 C SER B 130 2.742 -4.006 9.414 1.00 15.00 C ATOM 1829 O SER B 130 2.350 -2.925 9.857 1.00 15.00 O ATOM 1830 CB SER B 130 1.355 -5.981 10.125 1.00 15.00 C ATOM 1831 OG SER B 130 0.850 -7.227 9.663 1.00 15.00 O ATOM 0 H SER B 130 2.527 -6.852 8.159 1.00 15.00 H new ATOM 0 HA SER B 130 0.860 -4.580 8.571 1.00 15.00 H new ATOM 0 HB2 SER B 130 2.221 -6.150 10.765 1.00 15.00 H new ATOM 0 HB3 SER B 130 0.601 -5.482 10.734 1.00 15.00 H new ATOM 0 HG SER B 130 0.185 -7.070 8.961 1.00 15.00 H new ATOM 1837 N GLU B 131 4.032 -4.312 9.312 1.00 15.00 N ATOM 1838 CA GLU B 131 5.075 -3.373 9.708 1.00 15.00 C ATOM 1839 C GLU B 131 5.118 -2.199 8.737 1.00 15.00 C ATOM 1840 O GLU B 131 5.178 -1.042 9.150 1.00 15.00 O ATOM 1841 CB GLU B 131 6.435 -4.079 9.767 1.00 15.00 C ATOM 1842 CG GLU B 131 7.496 -3.299 10.527 1.00 15.00 C ATOM 1843 CD GLU B 131 8.744 -4.112 10.804 1.00 15.00 C ATOM 1844 OE1 GLU B 131 8.834 -4.719 11.895 1.00 15.00 O ATOM 1845 OE2 GLU B 131 9.654 -4.132 9.951 1.00 15.00 O1- ATOM 0 H GLU B 131 4.380 -5.203 8.958 1.00 15.00 H new ATOM 0 HA GLU B 131 4.847 -2.991 10.703 1.00 15.00 H new ATOM 0 HB2 GLU B 131 6.308 -5.055 10.236 1.00 15.00 H new ATOM 0 HB3 GLU B 131 6.786 -4.258 8.751 1.00 15.00 H new ATOM 0 HG2 GLU B 131 7.767 -2.412 9.954 1.00 15.00 H new ATOM 0 HG3 GLU B 131 7.077 -2.953 11.472 1.00 15.00 H new ATOM 1852 N ARG B 132 5.071 -2.511 7.444 1.00 15.00 N ATOM 1853 CA ARG B 132 5.082 -1.495 6.392 1.00 15.00 C ATOM 1854 C ARG B 132 3.908 -0.537 6.574 1.00 15.00 C ATOM 1855 O ARG B 132 4.004 0.653 6.279 1.00 15.00 O ATOM 1856 CB ARG B 132 4.987 -2.167 5.021 1.00 15.00 C ATOM 1857 CG ARG B 132 6.253 -2.067 4.179 1.00 15.00 C ATOM 1858 CD ARG B 132 6.232 -0.847 3.270 1.00 15.00 C ATOM 1859 NE ARG B 132 6.772 0.346 3.924 1.00 15.00 N ATOM 1860 CZ ARG B 132 6.239 1.560 3.811 1.00 15.00 C ATOM 1861 NH1 ARG B 132 5.151 1.748 3.077 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 6.815 2.598 4.401 1.00 15.00 N ATOM 0 H ARG B 132 5.024 -3.469 7.096 1.00 15.00 H new ATOM 0 HA ARG B 132 6.014 -0.933 6.456 1.00 15.00 H new ATOM 0 HB2 ARG B 132 4.742 -3.220 5.163 1.00 15.00 H new ATOM 0 HB3 ARG B 132 4.161 -1.719 4.468 1.00 15.00 H new ATOM 0 HG2 ARG B 132 7.122 -2.017 4.834 1.00 15.00 H new ATOM 0 HG3 ARG B 132 6.360 -2.968 3.575 1.00 15.00 H new ATOM 0 HD2 ARG B 132 6.810 -1.058 2.370 1.00 15.00 H new ATOM 0 HD3 ARG B 132 5.208 -0.652 2.952 1.00 15.00 H new ATOM 0 HE ARG B 132 7.607 0.240 4.501 1.00 15.00 H new ATOM 0 HH11 ARG B 132 4.718 0.960 2.595 1.00 15.00 H new ATOM 0 HH12 ARG B 132 4.747 2.681 2.994 1.00 15.00 H new ATOM 0 HH21 ARG B 132 7.669 2.467 4.943 1.00 15.00 H new ATOM 0 HH22 ARG B 132 6.404 3.527 4.313 1.00 15.00 H new ATOM 1876 N HIS B 133 2.806 -1.083 7.074 1.00 15.00 N ATOM 1877 CA HIS B 133 1.586 -0.325 7.326 1.00 15.00 C ATOM 1878 C HIS B 133 1.831 0.814 8.316 1.00 15.00 C ATOM 1879 O HIS B 133 1.412 1.951 8.093 1.00 15.00 O ATOM 1880 CB HIS B 133 0.516 -1.268 7.886 1.00 15.00 C ATOM 1881 CG HIS B 133 -0.813 -1.156 7.215 1.00 15.00 C ATOM 1882 ND1 HIS B 133 -1.431 0.057 7.046 1.00 15.00 N ATOM 1883 CD2 HIS B 133 -1.603 -2.132 6.707 1.00 15.00 C ATOM 1884 CE1 HIS B 133 -2.576 -0.205 6.444 1.00 15.00 C ATOM 1885 NE2 HIS B 133 -2.720 -1.514 6.220 1.00 15.00 N ATOM 0 H HIS B 133 2.733 -2.071 7.318 1.00 15.00 H new ATOM 0 HA HIS B 133 1.252 0.112 6.385 1.00 15.00 H new ATOM 0 HB2 HIS B 133 0.870 -2.295 7.796 1.00 15.00 H new ATOM 0 HB3 HIS B 133 0.391 -1.066 8.950 1.00 15.00 H new ATOM 0 HD2 HIS B 133 -1.391 -3.191 6.690 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -3.304 0.544 6.168 1.00 15.00 H new ATOM 0 HE2 HIS B 133 -3.515 -1.967 5.770 1.00 15.00 H new ATOM 1893 N ASP B 134 2.523 0.504 9.405 1.00 15.00 N ATOM 1894 CA ASP B 134 2.803 1.496 10.440 1.00 15.00 C ATOM 1895 C ASP B 134 4.039 2.329 10.118 1.00 15.00 C ATOM 1896 O ASP B 134 4.083 3.524 10.406 1.00 15.00 O ATOM 1897 CB ASP B 134 2.986 0.815 11.796 1.00 15.00 C ATOM 1898 CG ASP B 134 3.331 1.804 12.888 1.00 15.00 C ATOM 1899 OD1 ASP B 134 4.462 1.748 13.418 1.00 15.00 O ATOM 1900 OD2 ASP B 134 2.475 2.651 13.217 1.00 15.00 O1- ATOM 0 H ASP B 134 2.901 -0.424 9.596 1.00 15.00 H new ATOM 0 HA ASP B 134 1.945 2.168 10.478 1.00 15.00 H new ATOM 0 HB2 ASP B 134 2.071 0.287 12.062 1.00 15.00 H new ATOM 0 HB3 ASP B 134 3.776 0.067 11.722 1.00 15.00 H new ATOM 1905 N HIS B 135 5.035 1.704 9.512 1.00 15.00 N ATOM 1906 CA HIS B 135 6.277 2.391 9.175 1.00 15.00 C ATOM 1907 C HIS B 135 6.056 3.530 8.183 1.00 15.00 C ATOM 1908 O HIS B 135 6.842 4.471 8.142 1.00 15.00 O ATOM 1909 CB HIS B 135 7.295 1.404 8.600 1.00 15.00 C ATOM 1910 CG HIS B 135 8.197 0.787 9.629 1.00 15.00 C ATOM 1911 ND1 HIS B 135 9.564 0.773 9.467 1.00 15.00 N ATOM 1912 CD2 HIS B 135 7.885 0.169 10.796 1.00 15.00 C ATOM 1913 CE1 HIS B 135 10.049 0.150 10.529 1.00 15.00 C ATOM 1914 NE2 HIS B 135 9.072 -0.230 11.360 1.00 15.00 N ATOM 0 H HIS B 135 5.010 0.721 9.242 1.00 15.00 H new ATOM 0 HA HIS B 135 6.662 2.821 10.100 1.00 15.00 H new ATOM 0 HB2 HIS B 135 6.761 0.610 8.078 1.00 15.00 H new ATOM 0 HB3 HIS B 135 7.906 1.919 7.858 1.00 15.00 H new ATOM 0 HD2 HIS B 135 6.896 0.020 11.202 1.00 15.00 H new ATOM 0 HE1 HIS B 135 11.100 -0.029 10.703 1.00 15.00 H new ATOM 0 HE2 HIS B 135 9.187 -0.723 12.245 1.00 15.00 H new ATOM 1922 N ASP B 136 4.986 3.459 7.397 1.00 15.00 N ATOM 1923 CA ASP B 136 4.708 4.495 6.399 1.00 15.00 C ATOM 1924 C ASP B 136 4.440 5.854 7.039 1.00 15.00 C ATOM 1925 O ASP B 136 4.975 6.870 6.594 1.00 15.00 O ATOM 1926 CB ASP B 136 3.530 4.102 5.514 1.00 15.00 C ATOM 1927 CG ASP B 136 3.626 4.728 4.137 1.00 15.00 C ATOM 1928 OD1 ASP B 136 4.471 4.270 3.336 1.00 15.00 O ATOM 1929 OD2 ASP B 136 2.868 5.675 3.852 1.00 15.00 O1- ATOM 0 H ASP B 136 4.301 2.704 7.428 1.00 15.00 H new ATOM 0 HA ASP B 136 5.604 4.583 5.784 1.00 15.00 H new ATOM 0 HB2 ASP B 136 3.494 3.017 5.418 1.00 15.00 H new ATOM 0 HB3 ASP B 136 2.599 4.411 5.990 1.00 15.00 H new ATOM 1934 N LYS B 137 3.631 5.874 8.097 1.00 15.00 N ATOM 1935 CA LYS B 137 3.308 7.129 8.778 1.00 15.00 C ATOM 1936 C LYS B 137 4.570 7.747 9.381 1.00 15.00 C ATOM 1937 O LYS B 137 4.699 8.968 9.462 1.00 15.00 O ATOM 1938 CB LYS B 137 2.228 6.916 9.855 1.00 15.00 C ATOM 1939 CG LYS B 137 2.696 6.126 11.070 1.00 15.00 C ATOM 1940 CD LYS B 137 1.532 5.689 11.950 1.00 15.00 C ATOM 1941 CE LYS B 137 0.677 4.629 11.270 1.00 15.00 C ATOM 1942 NZ LYS B 137 0.136 3.644 12.245 1.00 15.00 N1+ ATOM 0 H LYS B 137 3.191 5.046 8.499 1.00 15.00 H new ATOM 0 HA LYS B 137 2.904 7.823 8.041 1.00 15.00 H new ATOM 0 HB2 LYS B 137 1.867 7.889 10.187 1.00 15.00 H new ATOM 0 HB3 LYS B 137 1.381 6.398 9.405 1.00 15.00 H new ATOM 0 HG2 LYS B 137 3.250 5.248 10.740 1.00 15.00 H new ATOM 0 HG3 LYS B 137 3.384 6.736 11.656 1.00 15.00 H new ATOM 0 HD2 LYS B 137 1.916 5.297 12.892 1.00 15.00 H new ATOM 0 HD3 LYS B 137 0.914 6.554 12.192 1.00 15.00 H new ATOM 0 HE2 LYS B 137 -0.148 5.110 10.744 1.00 15.00 H new ATOM 0 HE3 LYS B 137 1.272 4.108 10.520 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 -0.340 2.874 11.733 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 0.915 3.253 12.812 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 -0.546 4.116 12.873 1.00 15.00 H new ATOM 1956 N LYS B 138 5.512 6.894 9.776 1.00 15.00 N ATOM 1957 CA LYS B 138 6.767 7.356 10.349 1.00 15.00 C ATOM 1958 C LYS B 138 7.700 7.813 9.231 1.00 15.00 C ATOM 1959 O LYS B 138 8.447 8.784 9.384 1.00 15.00 O ATOM 1960 CB LYS B 138 7.426 6.243 11.170 1.00 15.00 C ATOM 1961 CG LYS B 138 8.632 6.701 11.977 1.00 15.00 C ATOM 1962 CD LYS B 138 8.237 7.683 13.070 1.00 15.00 C ATOM 1963 CE LYS B 138 9.424 8.055 13.944 1.00 15.00 C ATOM 1964 NZ LYS B 138 9.931 6.894 14.723 1.00 15.00 N1+ ATOM 0 H LYS B 138 5.427 5.880 9.708 1.00 15.00 H new ATOM 0 HA LYS B 138 6.565 8.195 11.015 1.00 15.00 H new ATOM 0 HB2 LYS B 138 6.686 5.820 11.850 1.00 15.00 H new ATOM 0 HB3 LYS B 138 7.735 5.443 10.497 1.00 15.00 H new ATOM 0 HG2 LYS B 138 9.121 5.835 12.424 1.00 15.00 H new ATOM 0 HG3 LYS B 138 9.358 7.169 11.312 1.00 15.00 H new ATOM 0 HD2 LYS B 138 7.821 8.583 12.618 1.00 15.00 H new ATOM 0 HD3 LYS B 138 7.453 7.245 13.688 1.00 15.00 H new ATOM 0 HE2 LYS B 138 10.225 8.449 13.318 1.00 15.00 H new ATOM 0 HE3 LYS B 138 9.134 8.852 14.629 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 10.585 7.229 15.459 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 9.132 6.399 15.168 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 10.431 6.241 14.087 1.00 15.00 H new ATOM 1978 N GLU B 139 7.640 7.101 8.109 1.00 15.00 N ATOM 1979 CA GLU B 139 8.451 7.418 6.941 1.00 15.00 C ATOM 1980 C GLU B 139 8.131 8.820 6.450 1.00 15.00 C ATOM 1981 O GLU B 139 9.026 9.589 6.121 1.00 15.00 O ATOM 1982 CB GLU B 139 8.192 6.403 5.823 1.00 15.00 C ATOM 1983 CG GLU B 139 9.387 5.520 5.501 1.00 15.00 C ATOM 1984 CD GLU B 139 10.502 6.277 4.812 1.00 15.00 C ATOM 1985 OE1 GLU B 139 10.530 6.299 3.566 1.00 15.00 O ATOM 1986 OE2 GLU B 139 11.357 6.856 5.514 1.00 15.00 O1- ATOM 0 H GLU B 139 7.031 6.292 7.986 1.00 15.00 H new ATOM 0 HA GLU B 139 9.503 7.370 7.223 1.00 15.00 H new ATOM 0 HB2 GLU B 139 7.352 5.770 6.108 1.00 15.00 H new ATOM 0 HB3 GLU B 139 7.896 6.939 4.921 1.00 15.00 H new ATOM 0 HG2 GLU B 139 9.767 5.080 6.423 1.00 15.00 H new ATOM 0 HG3 GLU B 139 9.064 4.697 4.864 1.00 15.00 H new ATOM 1993 N ALA B 140 6.846 9.149 6.420 1.00 15.00 N ATOM 1994 CA ALA B 140 6.404 10.464 5.978 1.00 15.00 C ATOM 1995 C ALA B 140 6.970 11.552 6.883 1.00 15.00 C ATOM 1996 O ALA B 140 7.400 12.606 6.415 1.00 15.00 O ATOM 1997 CB ALA B 140 4.885 10.525 5.961 1.00 15.00 C ATOM 0 H ALA B 140 6.091 8.522 6.697 1.00 15.00 H new ATOM 0 HA ALA B 140 6.774 10.634 4.967 1.00 15.00 H new ATOM 0 HB1 ALA B 140 4.564 11.512 5.629 1.00 15.00 H new ATOM 0 HB2 ALA B 140 4.498 9.769 5.278 1.00 15.00 H new ATOM 0 HB3 ALA B 140 4.502 10.337 6.964 1.00 15.00 H new ATOM 2003 N GLU B 141 6.988 11.273 8.178 1.00 15.00 N ATOM 2004 CA GLU B 141 7.500 12.215 9.165 1.00 15.00 C ATOM 2005 C GLU B 141 9.008 12.392 9.018 1.00 15.00 C ATOM 2006 O GLU B 141 9.559 13.446 9.343 1.00 15.00 O ATOM 2007 CB GLU B 141 7.170 11.716 10.572 1.00 15.00 C ATOM 2008 CG GLU B 141 6.654 12.801 11.499 1.00 15.00 C ATOM 2009 CD GLU B 141 5.374 13.438 10.994 1.00 15.00 C ATOM 2010 OE1 GLU B 141 5.418 14.609 10.563 1.00 15.00 O ATOM 2011 OE2 GLU B 141 4.318 12.768 11.027 1.00 15.00 O1- ATOM 0 H GLU B 141 6.651 10.395 8.573 1.00 15.00 H new ATOM 0 HA GLU B 141 7.025 13.182 9.000 1.00 15.00 H new ATOM 0 HB2 GLU B 141 6.423 10.925 10.502 1.00 15.00 H new ATOM 0 HB3 GLU B 141 8.064 11.272 11.009 1.00 15.00 H new ATOM 0 HG2 GLU B 141 6.479 12.376 12.488 1.00 15.00 H new ATOM 0 HG3 GLU B 141 7.418 13.570 11.613 1.00 15.00 H new ATOM 2018 N ARG B 142 9.671 11.356 8.528 1.00 15.00 N ATOM 2019 CA ARG B 142 11.117 11.387 8.350 1.00 15.00 C ATOM 2020 C ARG B 142 11.504 11.969 6.990 1.00 15.00 C ATOM 2021 O ARG B 142 12.264 12.935 6.914 1.00 15.00 O ATOM 2022 CB ARG B 142 11.694 9.975 8.494 1.00 15.00 C ATOM 2023 CG ARG B 142 13.202 9.906 8.303 1.00 15.00 C ATOM 2024 CD ARG B 142 13.746 8.517 8.606 1.00 15.00 C ATOM 2025 NE ARG B 142 13.323 7.516 7.620 1.00 15.00 N ATOM 2026 CZ ARG B 142 14.149 6.638 7.039 1.00 15.00 C ATOM 2027 NH1 ARG B 142 15.443 6.631 7.339 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 13.673 5.769 6.157 1.00 15.00 N ATOM 0 H ARG B 142 9.231 10.480 8.245 1.00 15.00 H new ATOM 0 HA ARG B 142 11.533 12.033 9.123 1.00 15.00 H new ATOM 0 HB2 ARG B 142 11.444 9.589 9.482 1.00 15.00 H new ATOM 0 HB3 ARG B 142 11.215 9.321 7.766 1.00 15.00 H new ATOM 0 HG2 ARG B 142 13.452 10.179 7.278 1.00 15.00 H new ATOM 0 HG3 ARG B 142 13.685 10.636 8.953 1.00 15.00 H new ATOM 0 HD2 ARG B 142 14.835 8.556 8.634 1.00 15.00 H new ATOM 0 HD3 ARG B 142 13.412 8.209 9.597 1.00 15.00 H new ATOM 0 HE ARG B 142 12.337 7.488 7.361 1.00 15.00 H new ATOM 0 HH11 ARG B 142 15.813 7.298 8.016 1.00 15.00 H new ATOM 0 HH12 ARG B 142 16.067 5.959 6.892 1.00 15.00 H new ATOM 0 HH21 ARG B 142 12.680 5.771 5.923 1.00 15.00 H new ATOM 0 HH22 ARG B 142 14.300 5.098 5.712 1.00 15.00 H new ATOM 2042 N LYS B 143 10.962 11.385 5.926 1.00 15.00 N ATOM 2043 CA LYS B 143 11.265 11.804 4.559 1.00 15.00 C ATOM 2044 C LYS B 143 10.964 13.278 4.320 1.00 15.00 C ATOM 2045 O LYS B 143 11.590 13.898 3.463 1.00 15.00 O ATOM 2046 CB LYS B 143 10.505 10.941 3.551 1.00 15.00 C ATOM 2047 CG LYS B 143 11.092 9.548 3.379 1.00 15.00 C ATOM 2048 CD LYS B 143 12.474 9.587 2.742 1.00 15.00 C ATOM 2049 CE LYS B 143 13.066 8.190 2.607 1.00 15.00 C ATOM 2050 NZ LYS B 143 13.461 7.615 3.920 1.00 15.00 N1+ ATOM 0 H LYS B 143 10.302 10.610 5.985 1.00 15.00 H new ATOM 0 HA LYS B 143 12.337 11.665 4.417 1.00 15.00 H new ATOM 0 HB2 LYS B 143 9.467 10.852 3.871 1.00 15.00 H new ATOM 0 HB3 LYS B 143 10.499 11.446 2.585 1.00 15.00 H new ATOM 0 HG2 LYS B 143 11.154 9.058 4.351 1.00 15.00 H new ATOM 0 HG3 LYS B 143 10.425 8.947 2.761 1.00 15.00 H new ATOM 0 HD2 LYS B 143 12.409 10.053 1.759 1.00 15.00 H new ATOM 0 HD3 LYS B 143 13.137 10.207 3.345 1.00 15.00 H new ATOM 0 HE2 LYS B 143 12.338 7.534 2.130 1.00 15.00 H new ATOM 0 HE3 LYS B 143 13.937 8.229 1.953 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 13.747 6.623 3.793 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 14.257 8.157 4.311 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 12.655 7.662 4.576 1.00 15.00 H new ATOM 2064 N ALA B 144 10.015 13.831 5.068 1.00 15.00 N ATOM 2065 CA ALA B 144 9.659 15.240 4.933 1.00 15.00 C ATOM 2066 C ALA B 144 10.900 16.122 5.049 1.00 15.00 C ATOM 2067 O ALA B 144 11.118 17.017 4.232 1.00 15.00 O ATOM 2068 CB ALA B 144 8.631 15.632 5.983 1.00 15.00 C ATOM 0 H ALA B 144 9.479 13.326 5.774 1.00 15.00 H new ATOM 0 HA ALA B 144 9.221 15.389 3.946 1.00 15.00 H new ATOM 0 HB1 ALA B 144 8.377 16.686 5.868 1.00 15.00 H new ATOM 0 HB2 ALA B 144 7.733 15.026 5.857 1.00 15.00 H new ATOM 0 HB3 ALA B 144 9.045 15.465 6.977 1.00 15.00 H new ATOM 2074 N LEU B 145 11.708 15.865 6.070 1.00 15.00 N ATOM 2075 CA LEU B 145 12.932 16.625 6.293 1.00 15.00 C ATOM 2076 C LEU B 145 14.122 15.966 5.595 1.00 15.00 C ATOM 2077 O LEU B 145 14.952 16.640 4.990 1.00 15.00 O ATOM 2078 CB LEU B 145 13.228 16.752 7.794 1.00 15.00 C ATOM 2079 CG LEU B 145 12.259 17.624 8.605 1.00 15.00 C ATOM 2080 CD1 LEU B 145 11.872 18.873 7.829 1.00 15.00 C ATOM 2081 CD2 LEU B 145 11.022 16.833 9.001 1.00 15.00 C ATOM 0 H LEU B 145 11.537 15.133 6.759 1.00 15.00 H new ATOM 0 HA LEU B 145 12.782 17.619 5.872 1.00 15.00 H new ATOM 0 HB2 LEU B 145 13.234 15.752 8.228 1.00 15.00 H new ATOM 0 HB3 LEU B 145 14.233 17.156 7.912 1.00 15.00 H new ATOM 0 HG LEU B 145 12.770 17.936 9.516 1.00 15.00 H new ATOM 0 HD11 LEU B 145 11.185 19.474 8.425 1.00 15.00 H new ATOM 0 HD12 LEU B 145 12.766 19.456 7.609 1.00 15.00 H new ATOM 0 HD13 LEU B 145 11.387 18.586 6.896 1.00 15.00 H new ATOM 0 HD21 LEU B 145 10.350 17.471 9.575 1.00 15.00 H new ATOM 0 HD22 LEU B 145 10.512 16.482 8.104 1.00 15.00 H new ATOM 0 HD23 LEU B 145 11.316 15.977 9.609 1.00 15.00 H new ATOM 2093 N GLU B 146 14.179 14.642 5.682 1.00 15.00 N ATOM 2094 CA GLU B 146 15.268 13.857 5.105 1.00 15.00 C ATOM 2095 C GLU B 146 15.449 14.125 3.609 1.00 15.00 C ATOM 2096 O GLU B 146 16.546 14.465 3.159 1.00 15.00 O ATOM 2097 CB GLU B 146 14.999 12.370 5.341 1.00 15.00 C ATOM 2098 CG GLU B 146 16.187 11.470 5.067 1.00 15.00 C ATOM 2099 CD GLU B 146 15.991 10.076 5.628 1.00 15.00 C ATOM 2100 OE1 GLU B 146 15.189 9.308 5.053 1.00 15.00 O ATOM 2101 OE2 GLU B 146 16.639 9.749 6.647 1.00 15.00 O1- ATOM 0 H GLU B 146 13.471 14.080 6.155 1.00 15.00 H new ATOM 0 HA GLU B 146 16.193 14.156 5.598 1.00 15.00 H new ATOM 0 HB2 GLU B 146 14.682 12.230 6.375 1.00 15.00 H new ATOM 0 HB3 GLU B 146 14.168 12.058 4.708 1.00 15.00 H new ATOM 0 HG2 GLU B 146 16.352 11.407 3.991 1.00 15.00 H new ATOM 0 HG3 GLU B 146 17.083 11.912 5.502 1.00 15.00 H new ATOM 2108 N ASP B 147 14.368 13.981 2.849 1.00 15.00 N ATOM 2109 CA ASP B 147 14.409 14.187 1.399 1.00 15.00 C ATOM 2110 C ASP B 147 14.588 15.661 1.059 1.00 15.00 C ATOM 2111 O ASP B 147 15.118 16.006 0.005 1.00 15.00 O ATOM 2112 CB ASP B 147 13.133 13.649 0.743 1.00 15.00 C ATOM 2113 CG ASP B 147 13.108 13.863 -0.759 1.00 15.00 C ATOM 2114 OD1 ASP B 147 13.804 13.114 -1.483 1.00 15.00 O ATOM 2115 OD2 ASP B 147 12.385 14.767 -1.220 1.00 15.00 O1- ATOM 0 H ASP B 147 13.450 13.722 3.210 1.00 15.00 H new ATOM 0 HA ASP B 147 15.266 13.638 1.009 1.00 15.00 H new ATOM 0 HB2 ASP B 147 13.043 12.584 0.955 1.00 15.00 H new ATOM 0 HB3 ASP B 147 12.267 14.138 1.189 1.00 15.00 H new ATOM 2120 N LYS B 148 14.154 16.524 1.963 1.00 15.00 N ATOM 2121 CA LYS B 148 14.271 17.962 1.763 1.00 15.00 C ATOM 2122 C LYS B 148 15.734 18.390 1.847 1.00 15.00 C ATOM 2123 O LYS B 148 16.223 19.137 0.997 1.00 15.00 O ATOM 2124 CB LYS B 148 13.439 18.710 2.807 1.00 15.00 C ATOM 2125 CG LYS B 148 13.459 20.218 2.636 1.00 15.00 C ATOM 2126 CD LYS B 148 12.525 20.905 3.618 1.00 15.00 C ATOM 2127 CE LYS B 148 12.626 22.414 3.511 1.00 15.00 C ATOM 2128 NZ LYS B 148 11.601 23.103 4.338 1.00 15.00 N1+ ATOM 0 H LYS B 148 13.717 16.255 2.844 1.00 15.00 H new ATOM 0 HA LYS B 148 13.892 18.209 0.771 1.00 15.00 H new ATOM 0 HB2 LYS B 148 12.408 18.361 2.755 1.00 15.00 H new ATOM 0 HB3 LYS B 148 13.810 18.461 3.801 1.00 15.00 H new ATOM 0 HG2 LYS B 148 14.474 20.588 2.779 1.00 15.00 H new ATOM 0 HG3 LYS B 148 13.168 20.473 1.617 1.00 15.00 H new ATOM 0 HD2 LYS B 148 11.499 20.593 3.426 1.00 15.00 H new ATOM 0 HD3 LYS B 148 12.769 20.593 4.634 1.00 15.00 H new ATOM 0 HE2 LYS B 148 13.620 22.734 3.825 1.00 15.00 H new ATOM 0 HE3 LYS B 148 12.510 22.712 2.469 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 11.707 24.132 4.235 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 10.652 22.819 4.022 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 11.727 22.840 5.336 1.00 15.00 H new ATOM 2142 N LEU B 149 16.426 17.909 2.871 1.00 15.00 N ATOM 2143 CA LEU B 149 17.832 18.235 3.060 1.00 15.00 C ATOM 2144 C LEU B 149 18.673 17.618 1.949 1.00 15.00 C ATOM 2145 O LEU B 149 19.553 18.274 1.387 1.00 15.00 O ATOM 2146 CB LEU B 149 18.319 17.742 4.424 1.00 15.00 C ATOM 2147 CG LEU B 149 19.761 18.117 4.777 1.00 15.00 C ATOM 2148 CD1 LEU B 149 19.888 19.615 5.006 1.00 15.00 C ATOM 2149 CD2 LEU B 149 20.225 17.354 6.006 1.00 15.00 C ATOM 0 H LEU B 149 16.036 17.292 3.583 1.00 15.00 H new ATOM 0 HA LEU B 149 17.941 19.319 3.023 1.00 15.00 H new ATOM 0 HB2 LEU B 149 17.658 18.141 5.194 1.00 15.00 H new ATOM 0 HB3 LEU B 149 18.225 16.656 4.455 1.00 15.00 H new ATOM 0 HG LEU B 149 20.398 17.843 3.936 1.00 15.00 H new ATOM 0 HD11 LEU B 149 20.921 19.859 5.255 1.00 15.00 H new ATOM 0 HD12 LEU B 149 19.598 20.147 4.100 1.00 15.00 H new ATOM 0 HD13 LEU B 149 19.236 19.914 5.827 1.00 15.00 H new ATOM 0 HD21 LEU B 149 21.252 17.634 6.242 1.00 15.00 H new ATOM 0 HD22 LEU B 149 19.580 17.597 6.850 1.00 15.00 H new ATOM 0 HD23 LEU B 149 20.177 16.283 5.809 1.00 15.00 H new ATOM 2161 N ALA B 150 18.393 16.362 1.627 1.00 15.00 N ATOM 2162 CA ALA B 150 19.125 15.668 0.578 1.00 15.00 C ATOM 2163 C ALA B 150 18.645 16.114 -0.801 1.00 15.00 C ATOM 2164 O ALA B 150 17.632 15.630 -1.305 1.00 15.00 O ATOM 2165 CB ALA B 150 18.978 14.161 0.734 1.00 15.00 C ATOM 0 H ALA B 150 17.666 15.805 2.076 1.00 15.00 H new ATOM 0 HA ALA B 150 20.181 15.923 0.670 1.00 15.00 H new ATOM 0 HB1 ALA B 150 19.532 13.657 -0.059 1.00 15.00 H new ATOM 0 HB2 ALA B 150 19.373 13.855 1.703 1.00 15.00 H new ATOM 0 HB3 ALA B 150 17.924 13.890 0.669 1.00 15.00 H new ATOM 2171 N ASP B 151 19.373 17.044 -1.403 1.00 15.00 N ATOM 2172 CA ASP B 151 19.023 17.561 -2.722 1.00 15.00 C ATOM 2173 C ASP B 151 19.419 16.576 -3.818 1.00 15.00 C ATOM 2174 O ASP B 151 18.821 16.556 -4.896 1.00 15.00 O ATOM 2175 CB ASP B 151 19.688 18.920 -2.968 1.00 15.00 C ATOM 2176 CG ASP B 151 21.202 18.871 -2.866 1.00 15.00 C ATOM 2177 OD1 ASP B 151 21.723 18.761 -1.734 1.00 15.00 O ATOM 2178 OD2 ASP B 151 21.879 18.957 -3.909 1.00 15.00 O1- ATOM 0 H ASP B 151 20.213 17.458 -0.999 1.00 15.00 H new ATOM 0 HA ASP B 151 17.941 17.692 -2.751 1.00 15.00 H new ATOM 0 HB2 ASP B 151 19.408 19.280 -3.958 1.00 15.00 H new ATOM 0 HB3 ASP B 151 19.305 19.641 -2.246 1.00 15.00 H new ATOM 2183 N TYR B 152 20.420 15.757 -3.535 1.00 15.00 N ATOM 2184 CA TYR B 152 20.886 14.769 -4.492 1.00 15.00 C ATOM 2185 C TYR B 152 20.873 13.382 -3.870 1.00 15.00 C ATOM 2186 O TYR B 152 19.968 12.592 -4.202 1.00 15.00 O ATOM 2187 CB TYR B 152 22.294 15.110 -4.980 1.00 15.00 C ATOM 2188 CG TYR B 152 22.317 15.821 -6.313 1.00 15.00 C ATOM 2189 CD1 TYR B 152 22.298 17.205 -6.384 1.00 15.00 C ATOM 2190 CD2 TYR B 152 22.357 15.105 -7.501 1.00 15.00 C ATOM 2191 CE1 TYR B 152 22.318 17.859 -7.599 1.00 15.00 C ATOM 2192 CE2 TYR B 152 22.378 15.751 -8.720 1.00 15.00 C ATOM 2193 CZ TYR B 152 22.359 17.127 -8.765 1.00 15.00 C ATOM 2194 OH TYR B 152 22.376 17.774 -9.980 1.00 15.00 O ATOM 2195 OXT TYR B 152 21.771 13.086 -3.056 1.00 15.00 O1- ATOM 0 H TYR B 152 20.925 15.758 -2.649 1.00 15.00 H new ATOM 0 HA TYR B 152 20.210 14.779 -5.347 1.00 15.00 H new ATOM 0 HB2 TYR B 152 22.786 15.736 -4.235 1.00 15.00 H new ATOM 0 HB3 TYR B 152 22.875 14.191 -5.058 1.00 15.00 H new ATOM 0 HD1 TYR B 152 22.267 17.782 -5.472 1.00 15.00 H new ATOM 0 HD2 TYR B 152 22.372 14.026 -7.471 1.00 15.00 H new ATOM 0 HE1 TYR B 152 22.302 18.938 -7.635 1.00 15.00 H new ATOM 0 HE2 TYR B 152 22.409 15.179 -9.636 1.00 15.00 H new ATOM 0 HH TYR B 152 22.406 17.113 -10.702 1.00 15.00 H new TER 2205 TYR B 152