USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1120 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 121 ASN : amide:sc= -0.529! C(o=-0.52!,f=-4.2!) USER MOD Set 1.2: A 123 THR OG1 : rot 58:sc= 0.0123 USER MOD Set 2.1: A 48 SER OG : rot 99:sc= 1.12 USER MOD Set 2.2: A 66 HIS : no HD1:sc= -10.2! C(o=-9!,f=-12!) USER MOD Set 3.1: A 57 GLN : amide:sc= -3.05 X(o=-4.6,f=-4.4) USER MOD Set 3.2: A 58 ASN : amide:sc= -1.51 K(o=-4.6,f=-6.3!) USER MOD Set 4.1: A 42 MET CE :methyl 171:sc= -5.23! (180deg=-4.57!) USER MOD Set 4.2: A 76 THR OG1 : rot 92:sc= -0.203 USER MOD Set 5.1: A 1 GLN :FLIP amide:sc= -0.426 F(o=-5.9,f=-5) USER MOD Set 5.2: A 3 GLN : amide:sc= -4.59! C(o=-5!,f=-5.9!) USER MOD Single : A 1 GLN N :NH3+ -119:sc= 0.155 (180deg=-0.0196) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0.784 (180deg=0.59) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -2.41! (180deg=-3.23!) USER MOD Single : A 32 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.13) USER MOD Single : A 37 THR OG1 : rot -42:sc= 0.842 USER MOD Single : A 39 CYS SG : rot -52:sc= -3.19! USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.654 (180deg=0.579) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 2.1 (180deg=1.77) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.991) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : A 68 ASN : amide:sc= 1.01 K(o=1,f=-0.23) USER MOD Single : A 72 HIS : no HE2:sc= -0.738 K(o=-0.74,f=-5.9!) USER MOD Single : A 81 GLN : amide:sc= 1.17 K(o=1.2,f=-0.59) USER MOD Single : A 82 ASN :FLIP amide:sc=-0.00164 F(o=-0.95,f=-0.0016) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc=-0.00476 (180deg=-0.067) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.21) USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= -0.0604 (180deg=-0.355) USER MOD Single : A 97 LYS NZ :NH3+ -135:sc= 1.2 (180deg=1.03) USER MOD Single : A 108 SER OG : rot -58:sc= 1.42 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 174:sc= -1.42 (180deg=-1.59) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -109:sc= -0.443 (180deg=-1.75) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 130 LYS NZ :NH3+ 142:sc= 0.69 (180deg=-0.0725) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.044 15.121 -11.244 1.00 0.76 N ATOM 2 CA GLN A 1 -10.190 14.683 -10.118 1.00 0.55 C ATOM 3 C GLN A 1 -8.896 14.090 -10.649 1.00 0.49 C ATOM 4 O GLN A 1 -8.746 13.908 -11.857 1.00 0.60 O ATOM 5 CB GLN A 1 -10.917 13.625 -9.282 1.00 0.52 C ATOM 6 CG GLN A 1 -10.966 12.261 -9.934 1.00 0.69 C ATOM 7 CD GLN A 1 -11.900 11.295 -9.239 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.055 11.448 -7.936 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -12.482 10.416 -9.875 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.210 16.145 -11.176 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.569 14.906 -12.144 1.00 0.76 H new ATOM 0 H3 GLN A 1 -11.954 14.619 -11.205 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.969 15.549 -9.495 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.423 13.537 -8.314 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.935 13.963 -9.091 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.279 12.374 -10.972 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -9.962 11.837 -9.948 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -12.335 10.332 -10.881 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.112 9.772 -9.396 1.00 0.88 H new ATOM 20 N LEU A 2 -7.967 13.786 -9.758 1.00 0.39 N ATOM 21 CA LEU A 2 -6.814 12.988 -10.145 1.00 0.36 C ATOM 22 C LEU A 2 -6.877 11.671 -9.398 1.00 0.26 C ATOM 23 O LEU A 2 -7.354 11.627 -8.262 1.00 0.27 O ATOM 24 CB LEU A 2 -5.473 13.720 -9.878 1.00 0.48 C ATOM 25 CG LEU A 2 -4.839 13.576 -8.475 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.140 12.235 -8.299 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.839 14.687 -8.235 1.00 1.32 C ATOM 0 H LEU A 2 -7.986 14.073 -8.779 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.849 12.813 -11.220 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -4.747 13.367 -10.611 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -5.628 14.782 -10.068 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.651 13.638 -7.750 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.709 12.178 -7.299 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.862 11.429 -8.430 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.348 12.137 -9.041 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -3.400 14.574 -7.244 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.052 14.637 -8.988 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.343 15.651 -8.300 1.00 1.32 H new ATOM 39 N GLN A 3 -6.430 10.602 -10.035 1.00 0.24 N ATOM 40 CA GLN A 3 -6.274 9.336 -9.345 1.00 0.22 C ATOM 41 C GLN A 3 -4.930 8.733 -9.688 1.00 0.22 C ATOM 42 O GLN A 3 -4.550 8.673 -10.859 1.00 0.25 O ATOM 43 CB GLN A 3 -7.360 8.325 -9.719 1.00 0.24 C ATOM 44 CG GLN A 3 -8.760 8.892 -9.848 1.00 0.26 C ATOM 45 CD GLN A 3 -9.821 7.834 -9.608 1.00 0.26 C ATOM 46 OE1 GLN A 3 -10.927 8.134 -9.167 1.00 0.33 O ATOM 47 NE2 GLN A 3 -9.488 6.584 -9.881 1.00 0.25 N ATOM 0 H GLN A 3 -6.171 10.586 -11.021 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.354 9.546 -8.278 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.087 7.858 -10.665 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.374 7.537 -8.966 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -8.890 9.705 -9.134 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.890 9.317 -10.843 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -8.560 6.372 -10.246 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -10.159 5.832 -9.726 1.00 0.25 H new ATOM 56 N GLU A 4 -4.218 8.282 -8.680 1.00 0.22 N ATOM 57 CA GLU A 4 -3.010 7.519 -8.900 1.00 0.25 C ATOM 58 C GLU A 4 -3.150 6.192 -8.186 1.00 0.23 C ATOM 59 O GLU A 4 -3.398 6.153 -6.979 1.00 0.27 O ATOM 60 CB GLU A 4 -1.775 8.262 -8.395 1.00 0.30 C ATOM 61 CG GLU A 4 -1.815 9.760 -8.650 1.00 0.28 C ATOM 62 CD GLU A 4 -0.434 10.378 -8.766 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.559 9.695 -8.438 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.327 11.547 -9.201 1.00 0.88 O ATOM 0 H GLU A 4 -4.455 8.430 -7.699 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.876 7.365 -9.971 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.670 8.088 -7.324 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.890 7.844 -8.874 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.371 9.952 -9.567 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.358 10.247 -7.840 1.00 0.28 H new ATOM 71 N LYS A 5 -3.013 5.109 -8.925 1.00 0.24 N ATOM 72 CA LYS A 5 -3.247 3.796 -8.361 1.00 0.25 C ATOM 73 C LYS A 5 -1.929 3.078 -8.186 1.00 0.25 C ATOM 74 O LYS A 5 -1.214 2.813 -9.152 1.00 0.30 O ATOM 75 CB LYS A 5 -4.175 2.934 -9.229 1.00 0.30 C ATOM 76 CG LYS A 5 -5.354 3.669 -9.872 1.00 0.40 C ATOM 77 CD LYS A 5 -4.969 4.401 -11.154 1.00 0.66 C ATOM 78 CE LYS A 5 -4.290 3.472 -12.152 1.00 1.21 C ATOM 79 NZ LYS A 5 -4.019 4.141 -13.452 1.00 1.43 N ATOM 0 H LYS A 5 -2.743 5.112 -9.909 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.739 3.945 -7.400 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.581 2.476 -10.020 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.567 2.123 -8.615 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.146 2.953 -10.092 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.762 4.385 -9.159 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -5.861 4.833 -11.608 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.301 5.228 -10.914 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -3.352 3.111 -11.729 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -4.921 2.599 -12.320 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -3.557 3.470 -14.098 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -4.915 4.463 -13.870 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -3.395 4.959 -13.298 1.00 1.43 H new ATOM 93 N LEU A 6 -1.616 2.775 -6.952 1.00 0.23 N ATOM 94 CA LEU A 6 -0.391 2.095 -6.622 1.00 0.25 C ATOM 95 C LEU A 6 -0.722 0.663 -6.232 1.00 0.24 C ATOM 96 O LEU A 6 -1.186 0.390 -5.122 1.00 0.24 O ATOM 97 CB LEU A 6 0.303 2.865 -5.503 1.00 0.26 C ATOM 98 CG LEU A 6 0.369 4.376 -5.759 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.795 5.128 -4.515 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.310 4.683 -6.914 1.00 0.30 C ATOM 0 H LEU A 6 -2.204 2.993 -6.148 1.00 0.23 H new ATOM 0 HA LEU A 6 0.293 2.055 -7.470 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.224 2.685 -4.566 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.315 2.480 -5.379 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.633 4.711 -6.027 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.832 6.196 -4.730 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.078 4.944 -3.715 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.782 4.786 -4.203 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.343 5.760 -7.080 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.310 4.322 -6.674 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.952 4.188 -7.817 1.00 0.30 H new ATOM 112 N TYR A 7 -0.550 -0.231 -7.193 1.00 0.27 N ATOM 113 CA TYR A 7 -0.977 -1.614 -7.057 1.00 0.27 C ATOM 114 C TYR A 7 -0.135 -2.398 -6.072 1.00 0.29 C ATOM 115 O TYR A 7 1.077 -2.210 -5.970 1.00 0.38 O ATOM 116 CB TYR A 7 -0.950 -2.314 -8.415 1.00 0.32 C ATOM 117 CG TYR A 7 -2.238 -2.171 -9.183 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.547 -0.979 -9.826 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.136 -3.223 -9.279 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.719 -0.837 -10.534 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.311 -3.090 -9.990 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.621 -1.921 -10.581 1.00 0.56 C ATOM 123 OH TYR A 7 -5.761 -1.762 -11.331 1.00 0.69 O ATOM 0 H TYR A 7 -0.111 -0.018 -8.089 1.00 0.27 H new ATOM 0 HA TYR A 7 -1.995 -1.585 -6.668 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.133 -1.907 -9.010 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.739 -3.373 -8.266 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -1.857 -0.150 -9.770 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -2.913 -4.160 -8.790 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -3.944 0.088 -11.044 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -4.986 -3.929 -10.073 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.300 -2.579 -11.284 1.00 0.69 H new ATOM 133 N VAL A 8 -0.810 -3.264 -5.341 1.00 0.24 N ATOM 134 CA VAL A 8 -0.161 -4.270 -4.533 1.00 0.26 C ATOM 135 C VAL A 8 -0.792 -5.610 -4.852 1.00 0.26 C ATOM 136 O VAL A 8 -1.971 -5.823 -4.597 1.00 0.26 O ATOM 137 CB VAL A 8 -0.281 -3.985 -3.024 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.760 -2.971 -2.593 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.685 -3.505 -2.675 1.00 1.27 C ATOM 0 H VAL A 8 -1.829 -3.287 -5.293 1.00 0.24 H new ATOM 0 HA VAL A 8 0.903 -4.267 -4.769 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.099 -4.913 -2.482 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.662 -2.781 -1.524 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.756 -3.361 -2.802 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.612 -2.041 -3.142 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.747 -3.310 -1.604 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.903 -2.589 -3.224 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.410 -4.272 -2.946 1.00 1.27 H new ATOM 149 N PRO A 9 -0.029 -6.528 -5.428 1.00 0.32 N ATOM 150 CA PRO A 9 -0.584 -7.775 -5.914 1.00 0.37 C ATOM 151 C PRO A 9 -1.021 -8.670 -4.766 1.00 0.34 C ATOM 152 O PRO A 9 -0.240 -9.449 -4.224 1.00 0.35 O ATOM 153 CB PRO A 9 0.560 -8.386 -6.718 1.00 0.44 C ATOM 154 CG PRO A 9 1.794 -7.829 -6.101 1.00 0.43 C ATOM 155 CD PRO A 9 1.426 -6.445 -5.620 1.00 0.39 C ATOM 0 HA PRO A 9 -1.484 -7.638 -6.514 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.546 -9.474 -6.663 1.00 0.44 H new ATOM 0 HB3 PRO A 9 0.489 -8.120 -7.773 1.00 0.44 H new ATOM 0 HG2 PRO A 9 2.133 -8.453 -5.274 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.608 -7.788 -6.824 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.940 -6.192 -4.693 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.692 -5.681 -6.351 1.00 0.39 H new ATOM 163 N VAL A 10 -2.271 -8.509 -4.366 1.00 0.34 N ATOM 164 CA VAL A 10 -2.851 -9.313 -3.306 1.00 0.36 C ATOM 165 C VAL A 10 -2.905 -10.776 -3.743 1.00 0.43 C ATOM 166 O VAL A 10 -2.992 -11.696 -2.930 1.00 0.47 O ATOM 167 CB VAL A 10 -4.262 -8.810 -2.942 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.261 -9.103 -4.053 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.718 -9.396 -1.619 1.00 0.52 C ATOM 0 H VAL A 10 -2.909 -7.820 -4.765 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.224 -9.225 -2.419 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.212 -7.727 -2.830 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.245 -8.735 -3.763 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -4.943 -8.605 -4.969 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.311 -10.179 -4.223 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.716 -9.027 -1.382 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.741 -10.483 -1.691 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -4.025 -9.099 -0.831 1.00 0.52 H new ATOM 179 N LYS A 11 -2.853 -10.957 -5.056 1.00 0.49 N ATOM 180 CA LYS A 11 -2.779 -12.279 -5.667 1.00 0.58 C ATOM 181 C LYS A 11 -1.428 -12.913 -5.346 1.00 0.53 C ATOM 182 O LYS A 11 -1.289 -14.136 -5.300 1.00 0.60 O ATOM 183 CB LYS A 11 -2.940 -12.168 -7.186 1.00 0.72 C ATOM 184 CG LYS A 11 -3.896 -11.069 -7.618 1.00 1.27 C ATOM 185 CD LYS A 11 -4.003 -10.975 -9.134 1.00 1.76 C ATOM 186 CE LYS A 11 -5.012 -11.965 -9.690 1.00 2.24 C ATOM 187 NZ LYS A 11 -6.393 -11.639 -9.247 1.00 2.93 N ATOM 0 H LYS A 11 -2.861 -10.191 -5.729 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.581 -12.899 -5.268 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -1.963 -11.985 -7.634 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.296 -13.122 -7.576 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -4.883 -11.259 -7.195 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -3.556 -10.114 -7.218 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -4.293 -9.963 -9.416 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -3.026 -11.162 -9.580 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -4.967 -11.960 -10.779 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -4.752 -12.973 -9.365 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -7.073 -12.223 -9.773 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -6.486 -11.832 -8.229 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -6.587 -10.634 -9.428 1.00 2.93 H new ATOM 201 N GLU A 12 -0.436 -12.052 -5.137 1.00 0.45 N ATOM 202 CA GLU A 12 0.908 -12.474 -4.765 1.00 0.44 C ATOM 203 C GLU A 12 0.979 -12.801 -3.285 1.00 0.39 C ATOM 204 O GLU A 12 1.657 -13.743 -2.872 1.00 0.43 O ATOM 205 CB GLU A 12 1.918 -11.374 -5.086 1.00 0.46 C ATOM 206 CG GLU A 12 2.231 -11.239 -6.567 1.00 0.60 C ATOM 207 CD GLU A 12 3.031 -12.406 -7.110 1.00 0.77 C ATOM 208 OE1 GLU A 12 3.344 -13.330 -6.330 1.00 0.97 O ATOM 209 OE2 GLU A 12 3.339 -12.416 -8.321 1.00 0.96 O ATOM 0 H GLU A 12 -0.543 -11.041 -5.221 1.00 0.45 H new ATOM 0 HA GLU A 12 1.149 -13.368 -5.339 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.534 -10.423 -4.718 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.843 -11.575 -4.546 1.00 0.46 H new ATOM 0 HG2 GLU A 12 1.298 -11.154 -7.124 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.786 -10.316 -6.733 1.00 0.60 H new ATOM 216 N TYR A 13 0.275 -12.017 -2.485 1.00 0.34 N ATOM 217 CA TYR A 13 0.341 -12.153 -1.041 1.00 0.35 C ATOM 218 C TYR A 13 -1.036 -12.431 -0.458 1.00 0.39 C ATOM 219 O TYR A 13 -1.732 -11.512 -0.021 1.00 0.40 O ATOM 220 CB TYR A 13 0.925 -10.884 -0.419 1.00 0.34 C ATOM 221 CG TYR A 13 2.181 -10.405 -1.105 1.00 0.35 C ATOM 222 CD1 TYR A 13 3.422 -10.890 -0.721 1.00 0.44 C ATOM 223 CD2 TYR A 13 2.130 -9.469 -2.127 1.00 0.34 C ATOM 224 CE1 TYR A 13 4.580 -10.459 -1.330 1.00 0.48 C ATOM 225 CE2 TYR A 13 3.285 -9.029 -2.748 1.00 0.40 C ATOM 226 CZ TYR A 13 4.481 -9.520 -2.392 1.00 0.46 C ATOM 227 OH TYR A 13 5.664 -9.095 -2.962 1.00 0.53 O ATOM 0 H TYR A 13 -0.349 -11.279 -2.812 1.00 0.34 H new ATOM 0 HA TYR A 13 0.990 -12.997 -0.808 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.176 -10.093 -0.454 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.142 -11.070 0.633 1.00 0.34 H new ATOM 0 HD1 TYR A 13 3.482 -11.621 0.072 1.00 0.44 H new ATOM 0 HD2 TYR A 13 1.174 -9.078 -2.443 1.00 0.34 H new ATOM 0 HE1 TYR A 13 5.543 -10.827 -1.007 1.00 0.48 H new ATOM 0 HE2 TYR A 13 3.223 -8.283 -3.527 1.00 0.40 H new ATOM 0 HH TYR A 13 5.471 -8.455 -3.678 1.00 0.53 H new ATOM 237 N PRO A 14 -1.466 -13.701 -0.469 1.00 0.47 N ATOM 238 CA PRO A 14 -2.757 -14.094 0.090 1.00 0.55 C ATOM 239 C PRO A 14 -2.774 -13.975 1.610 1.00 0.59 C ATOM 240 O PRO A 14 -3.819 -13.728 2.210 1.00 0.68 O ATOM 241 CB PRO A 14 -2.914 -15.561 -0.333 1.00 0.64 C ATOM 242 CG PRO A 14 -1.862 -15.795 -1.365 1.00 0.75 C ATOM 243 CD PRO A 14 -0.749 -14.849 -1.037 1.00 0.52 C ATOM 0 HA PRO A 14 -3.566 -13.455 -0.265 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.785 -16.230 0.518 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.909 -15.748 -0.738 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -1.516 -16.828 -1.343 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.249 -15.610 -2.367 1.00 0.75 H new ATOM 0 HD2 PRO A 14 -0.046 -15.281 -0.325 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.177 -14.573 -1.923 1.00 0.52 H new ATOM 251 N ASP A 15 -1.602 -14.108 2.223 1.00 0.57 N ATOM 252 CA ASP A 15 -1.499 -14.084 3.677 1.00 0.67 C ATOM 253 C ASP A 15 -1.228 -12.675 4.188 1.00 0.62 C ATOM 254 O ASP A 15 -1.392 -12.391 5.377 1.00 0.76 O ATOM 255 CB ASP A 15 -0.389 -15.030 4.144 1.00 0.78 C ATOM 256 CG ASP A 15 -0.243 -15.057 5.653 1.00 1.64 C ATOM 257 OD1 ASP A 15 -1.090 -15.679 6.326 1.00 2.15 O ATOM 258 OD2 ASP A 15 0.721 -14.453 6.170 1.00 2.43 O ATOM 0 H ASP A 15 -0.714 -14.233 1.737 1.00 0.57 H new ATOM 0 HA ASP A 15 -2.453 -14.417 4.086 1.00 0.67 H new ATOM 0 HB2 ASP A 15 -0.600 -16.037 3.785 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.557 -14.724 3.697 1.00 0.78 H new ATOM 263 N PHE A 16 -0.850 -11.780 3.291 1.00 0.48 N ATOM 264 CA PHE A 16 -0.626 -10.402 3.678 1.00 0.43 C ATOM 265 C PHE A 16 -1.757 -9.546 3.175 1.00 0.37 C ATOM 266 O PHE A 16 -1.882 -9.279 1.981 1.00 0.36 O ATOM 267 CB PHE A 16 0.702 -9.868 3.157 1.00 0.41 C ATOM 268 CG PHE A 16 1.156 -8.650 3.906 1.00 0.40 C ATOM 269 CD1 PHE A 16 1.709 -8.772 5.169 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.035 -7.389 3.353 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.136 -7.661 5.862 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.459 -6.280 4.041 1.00 0.36 C ATOM 273 CZ PHE A 16 2.014 -6.412 5.296 1.00 0.49 C ATOM 0 H PHE A 16 -0.694 -11.981 2.303 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.586 -10.365 4.767 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.461 -10.646 3.238 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.604 -9.626 2.099 1.00 0.41 H new ATOM 0 HD1 PHE A 16 1.807 -9.750 5.616 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.603 -7.275 2.370 1.00 0.34 H new ATOM 0 HE1 PHE A 16 2.565 -7.769 6.847 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.358 -5.300 3.598 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.352 -5.538 5.833 1.00 0.49 H new ATOM 283 N ASN A 17 -2.584 -9.129 4.098 1.00 0.37 N ATOM 284 CA ASN A 17 -3.688 -8.261 3.790 1.00 0.35 C ATOM 285 C ASN A 17 -3.209 -6.824 3.728 1.00 0.30 C ATOM 286 O ASN A 17 -2.970 -6.200 4.751 1.00 0.30 O ATOM 287 CB ASN A 17 -4.811 -8.435 4.824 1.00 0.45 C ATOM 288 CG ASN A 17 -4.316 -8.692 6.247 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.875 -9.525 6.957 1.00 1.29 O ATOM 290 ND2 ASN A 17 -3.315 -7.951 6.698 1.00 0.71 N ATOM 0 H ASN A 17 -2.510 -9.382 5.083 1.00 0.37 H new ATOM 0 HA ASN A 17 -4.095 -8.527 2.814 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.433 -7.540 4.823 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -5.447 -9.265 4.517 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.989 -8.064 7.658 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.870 -7.267 6.085 1.00 0.71 H new ATOM 297 N PHE A 18 -3.013 -6.311 2.525 1.00 0.28 N ATOM 298 CA PHE A 18 -2.602 -4.927 2.368 1.00 0.26 C ATOM 299 C PHE A 18 -3.630 -3.984 2.980 1.00 0.27 C ATOM 300 O PHE A 18 -3.275 -2.939 3.521 1.00 0.27 O ATOM 301 CB PHE A 18 -2.343 -4.597 0.896 1.00 0.24 C ATOM 302 CG PHE A 18 -1.171 -5.353 0.353 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.085 -5.025 0.791 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.312 -6.388 -0.564 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.192 -5.687 0.348 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.194 -7.066 -1.026 1.00 0.25 C ATOM 307 CZ PHE A 18 1.060 -6.709 -0.562 1.00 0.25 C ATOM 0 H PHE A 18 -3.130 -6.825 1.652 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.664 -4.786 2.905 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.231 -4.833 0.309 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.166 -3.527 0.789 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.201 -4.223 1.504 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.294 -6.665 -0.917 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.170 -5.409 0.711 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.301 -7.867 -1.743 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.936 -7.234 -0.915 1.00 0.25 H new ATOM 317 N VAL A 19 -4.896 -4.363 2.907 1.00 0.31 N ATOM 318 CA VAL A 19 -5.948 -3.644 3.612 1.00 0.32 C ATOM 319 C VAL A 19 -5.835 -3.871 5.113 1.00 0.29 C ATOM 320 O VAL A 19 -5.787 -2.917 5.891 1.00 0.27 O ATOM 321 CB VAL A 19 -7.343 -4.067 3.103 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.427 -3.772 4.126 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.649 -3.358 1.800 1.00 1.13 C ATOM 0 H VAL A 19 -5.221 -5.165 2.367 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.824 -2.580 3.412 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.329 -5.144 2.939 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.394 -4.084 3.731 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -8.217 -4.318 5.046 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.448 -2.703 4.336 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.634 -3.659 1.444 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.635 -2.280 1.960 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.898 -3.624 1.056 1.00 1.13 H new ATOM 333 N GLY A 20 -5.741 -5.133 5.505 1.00 0.33 N ATOM 334 CA GLY A 20 -5.614 -5.472 6.909 1.00 0.35 C ATOM 335 C GLY A 20 -4.361 -4.898 7.537 1.00 0.32 C ATOM 336 O GLY A 20 -4.242 -4.832 8.759 1.00 0.38 O ATOM 0 H GLY A 20 -5.750 -5.933 4.872 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -6.487 -5.104 7.448 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.606 -6.557 7.018 1.00 0.35 H new ATOM 340 N ARG A 21 -3.418 -4.495 6.702 1.00 0.29 N ATOM 341 CA ARG A 21 -2.195 -3.892 7.184 1.00 0.32 C ATOM 342 C ARG A 21 -2.247 -2.367 7.096 1.00 0.31 C ATOM 343 O ARG A 21 -1.905 -1.675 8.053 1.00 0.39 O ATOM 344 CB ARG A 21 -0.981 -4.390 6.393 1.00 0.33 C ATOM 345 CG ARG A 21 0.276 -3.653 6.809 1.00 0.56 C ATOM 346 CD ARG A 21 1.042 -3.108 5.623 1.00 0.52 C ATOM 347 NE ARG A 21 0.146 -2.582 4.606 1.00 1.51 N ATOM 348 CZ ARG A 21 0.283 -2.874 3.328 1.00 2.26 C ATOM 349 NH1 ARG A 21 1.315 -3.606 2.946 1.00 2.34 N ATOM 350 NH2 ARG A 21 -0.590 -2.432 2.432 1.00 3.20 N ATOM 0 H ARG A 21 -3.480 -4.576 5.687 1.00 0.29 H new ATOM 0 HA ARG A 21 -2.094 -4.187 8.229 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.850 -5.460 6.555 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.154 -4.248 5.326 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.010 -2.832 7.475 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.919 -4.327 7.375 1.00 0.56 H new ATOM 0 HD2 ARG A 21 1.718 -2.321 5.956 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.659 -3.897 5.193 1.00 0.52 H new ATOM 0 HE ARG A 21 -0.615 -1.966 4.891 1.00 1.51 H new ATOM 0 HH11 ARG A 21 1.990 -3.936 3.636 1.00 2.34 H new ATOM 0 HH12 ARG A 21 1.437 -3.841 1.961 1.00 2.34 H new ATOM 0 HH21 ARG A 21 -1.379 -1.858 2.729 1.00 3.20 H new ATOM 0 HH22 ARG A 21 -0.472 -2.666 1.446 1.00 3.20 H new ATOM 364 N ILE A 22 -2.685 -1.844 5.954 1.00 0.27 N ATOM 365 CA ILE A 22 -2.614 -0.403 5.720 1.00 0.31 C ATOM 366 C ILE A 22 -3.681 0.323 6.523 1.00 0.28 C ATOM 367 O ILE A 22 -3.382 1.262 7.251 1.00 0.32 O ATOM 368 CB ILE A 22 -2.725 -0.041 4.208 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.335 0.240 3.636 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.634 1.159 3.959 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.648 1.442 4.250 1.00 0.99 C ATOM 0 H ILE A 22 -3.086 -2.384 5.188 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.631 -0.073 6.057 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.172 -0.899 3.705 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -0.708 -0.639 3.784 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.420 0.393 2.560 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.676 1.368 2.890 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.637 0.938 4.325 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -3.240 2.029 4.484 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.332 1.575 3.791 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -1.252 2.333 4.079 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.529 1.285 5.322 1.00 0.99 H new ATOM 383 N LEU A 23 -4.923 -0.111 6.391 1.00 0.30 N ATOM 384 CA LEU A 23 -6.005 0.539 7.115 1.00 0.35 C ATOM 385 C LEU A 23 -6.512 -0.298 8.285 1.00 0.37 C ATOM 386 O LEU A 23 -7.274 0.207 9.108 1.00 0.47 O ATOM 387 CB LEU A 23 -7.158 1.044 6.205 1.00 0.59 C ATOM 388 CG LEU A 23 -7.889 0.052 5.281 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.957 -0.518 4.228 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.562 -1.058 6.073 1.00 1.15 C ATOM 0 H LEU A 23 -5.205 -0.895 5.802 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.560 1.439 7.540 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.908 1.500 6.852 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -6.754 1.837 5.577 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.670 0.610 4.765 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.506 -1.214 3.594 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.559 0.292 3.617 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.135 -1.043 4.715 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -9.068 -1.739 5.388 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.811 -1.607 6.641 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.291 -0.625 6.758 1.00 1.15 H new ATOM 402 N GLY A 24 -6.089 -1.566 8.352 1.00 0.35 N ATOM 403 CA GLY A 24 -6.550 -2.455 9.412 1.00 0.45 C ATOM 404 C GLY A 24 -6.444 -1.825 10.792 1.00 0.56 C ATOM 405 O GLY A 24 -7.437 -1.333 11.335 1.00 0.70 O ATOM 0 H GLY A 24 -5.437 -1.990 7.692 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.587 -2.733 9.222 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.964 -3.374 9.390 1.00 0.45 H new ATOM 409 N PRO A 25 -5.252 -1.843 11.396 1.00 0.59 N ATOM 410 CA PRO A 25 -4.989 -1.122 12.633 1.00 0.74 C ATOM 411 C PRO A 25 -4.466 0.290 12.370 1.00 0.75 C ATOM 412 O PRO A 25 -4.451 1.141 13.260 1.00 0.90 O ATOM 413 CB PRO A 25 -3.917 -1.985 13.289 1.00 0.85 C ATOM 414 CG PRO A 25 -3.141 -2.563 12.150 1.00 0.77 C ATOM 415 CD PRO A 25 -4.074 -2.619 10.961 1.00 0.57 C ATOM 0 HA PRO A 25 -5.881 -0.980 13.243 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -3.277 -1.392 13.943 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -4.361 -2.769 13.903 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -2.269 -1.949 11.927 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -2.774 -3.559 12.399 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.615 -2.185 10.073 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -4.342 -3.646 10.712 1.00 0.57 H new ATOM 423 N ARG A 26 -4.045 0.528 11.133 1.00 0.64 N ATOM 424 CA ARG A 26 -3.346 1.755 10.778 1.00 0.71 C ATOM 425 C ARG A 26 -4.187 2.635 9.854 1.00 0.59 C ATOM 426 O ARG A 26 -3.658 3.537 9.201 1.00 0.63 O ATOM 427 CB ARG A 26 -2.030 1.398 10.090 1.00 0.88 C ATOM 428 CG ARG A 26 -0.822 2.115 10.659 1.00 1.34 C ATOM 429 CD ARG A 26 0.460 1.633 10.002 1.00 1.33 C ATOM 430 NE ARG A 26 0.592 0.179 10.066 1.00 1.92 N ATOM 431 CZ ARG A 26 1.735 -0.460 10.313 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.847 0.216 10.567 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.766 -1.783 10.315 1.00 3.43 N ATOM 0 H ARG A 26 -4.177 -0.118 10.355 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.156 2.319 11.691 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.871 0.322 10.168 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -2.112 1.632 9.029 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -0.929 3.189 10.509 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -0.769 1.947 11.735 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.477 1.954 8.960 1.00 1.33 H new ATOM 0 HD3 ARG A 26 1.316 2.097 10.492 1.00 1.33 H new ATOM 0 HE ARG A 26 -0.245 -0.383 9.912 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.833 1.236 10.575 1.00 2.67 H new ATOM 0 HH12 ARG A 26 3.716 -0.284 10.755 1.00 2.67 H new ATOM 0 HH21 ARG A 26 0.915 -2.313 10.127 1.00 3.43 H new ATOM 0 HH22 ARG A 26 2.641 -2.272 10.504 1.00 3.43 H new ATOM 447 N GLY A 27 -5.498 2.388 9.824 1.00 0.54 N ATOM 448 CA GLY A 27 -6.392 3.132 8.945 1.00 0.56 C ATOM 449 C GLY A 27 -6.344 4.625 9.163 1.00 0.58 C ATOM 450 O GLY A 27 -6.747 5.401 8.292 1.00 0.56 O ATOM 0 H GLY A 27 -5.959 1.681 10.397 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.133 2.915 7.909 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.413 2.783 9.098 1.00 0.56 H new ATOM 454 N LEU A 28 -5.837 5.023 10.321 1.00 0.64 N ATOM 455 CA LEU A 28 -5.677 6.427 10.652 1.00 0.68 C ATOM 456 C LEU A 28 -4.903 7.146 9.555 1.00 0.58 C ATOM 457 O LEU A 28 -5.268 8.250 9.165 1.00 0.55 O ATOM 458 CB LEU A 28 -4.954 6.598 11.998 1.00 0.82 C ATOM 459 CG LEU A 28 -5.776 6.282 13.257 1.00 1.46 C ATOM 460 CD1 LEU A 28 -7.090 7.048 13.245 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.027 4.785 13.401 1.00 2.25 C ATOM 0 H LEU A 28 -5.527 4.383 11.053 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.671 6.867 10.735 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.072 5.958 11.996 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.602 7.627 12.069 1.00 0.82 H new ATOM 0 HG LEU A 28 -5.194 6.603 14.121 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -7.658 6.811 14.145 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -6.887 8.119 13.216 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -7.668 6.764 12.366 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -6.611 4.599 14.302 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -6.576 4.423 12.532 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -5.074 4.261 13.472 1.00 2.25 H new ATOM 473 N THR A 29 -3.872 6.492 9.020 1.00 0.56 N ATOM 474 CA THR A 29 -3.006 7.121 8.033 1.00 0.52 C ATOM 475 C THR A 29 -3.775 7.468 6.759 1.00 0.42 C ATOM 476 O THR A 29 -3.525 8.502 6.151 1.00 0.41 O ATOM 477 CB THR A 29 -1.762 6.253 7.703 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.771 7.052 7.042 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.111 5.059 6.821 1.00 0.48 C ATOM 0 H THR A 29 -3.620 5.532 9.254 1.00 0.56 H new ATOM 0 HA THR A 29 -2.646 8.048 8.480 1.00 0.52 H new ATOM 0 HB THR A 29 -1.374 5.872 8.648 1.00 0.58 H new ATOM 0 HG1 THR A 29 0.012 6.499 6.838 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.209 4.482 6.617 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.838 4.428 7.333 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.536 5.412 5.882 1.00 0.48 H new ATOM 487 N ALA A 30 -4.734 6.635 6.377 1.00 0.39 N ATOM 488 CA ALA A 30 -5.539 6.908 5.194 1.00 0.34 C ATOM 489 C ALA A 30 -6.403 8.136 5.436 1.00 0.32 C ATOM 490 O ALA A 30 -6.531 9.018 4.581 1.00 0.28 O ATOM 491 CB ALA A 30 -6.399 5.702 4.847 1.00 0.38 C ATOM 0 H ALA A 30 -4.972 5.771 6.865 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.879 7.104 4.349 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.994 5.922 3.961 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.758 4.843 4.649 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.062 5.475 5.682 1.00 0.38 H new ATOM 497 N LYS A 31 -6.964 8.196 6.633 1.00 0.38 N ATOM 498 CA LYS A 31 -7.831 9.291 7.023 1.00 0.41 C ATOM 499 C LYS A 31 -7.036 10.582 7.196 1.00 0.38 C ATOM 500 O LYS A 31 -7.521 11.665 6.886 1.00 0.39 O ATOM 501 CB LYS A 31 -8.549 8.932 8.318 1.00 0.49 C ATOM 502 CG LYS A 31 -9.613 9.936 8.736 1.00 1.16 C ATOM 503 CD LYS A 31 -10.520 9.373 9.824 1.00 1.63 C ATOM 504 CE LYS A 31 -11.608 8.460 9.256 1.00 2.36 C ATOM 505 NZ LYS A 31 -11.063 7.261 8.560 1.00 3.09 N ATOM 0 H LYS A 31 -6.831 7.490 7.357 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.566 9.455 6.235 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -9.013 7.953 8.204 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.813 8.845 9.117 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.134 10.846 9.096 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -10.213 10.213 7.869 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -9.919 8.815 10.543 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.986 10.195 10.368 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -12.261 8.136 10.066 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.223 9.029 8.559 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -11.810 6.543 8.468 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -10.725 7.532 7.614 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -10.272 6.869 9.111 1.00 3.09 H new ATOM 519 N GLN A 32 -5.811 10.460 7.689 1.00 0.38 N ATOM 520 CA GLN A 32 -4.956 11.625 7.881 1.00 0.40 C ATOM 521 C GLN A 32 -4.600 12.244 6.545 1.00 0.32 C ATOM 522 O GLN A 32 -4.468 13.452 6.431 1.00 0.33 O ATOM 523 CB GLN A 32 -3.678 11.261 8.640 1.00 0.47 C ATOM 524 CG GLN A 32 -3.928 10.693 10.025 1.00 0.55 C ATOM 525 CD GLN A 32 -4.803 11.587 10.877 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.313 12.445 11.606 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.108 11.386 10.786 1.00 0.64 N ATOM 0 H GLN A 32 -5.388 9.573 7.962 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.513 12.348 8.477 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.114 10.534 8.056 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.054 12.150 8.730 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.399 9.714 9.932 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -2.973 10.541 10.528 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.470 10.661 10.167 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -6.751 11.956 11.335 1.00 0.64 H new ATOM 536 N LEU A 33 -4.462 11.411 5.529 1.00 0.28 N ATOM 537 CA LEU A 33 -4.118 11.891 4.202 1.00 0.25 C ATOM 538 C LEU A 33 -5.255 12.695 3.599 1.00 0.21 C ATOM 539 O LEU A 33 -5.028 13.775 3.077 1.00 0.22 O ATOM 540 CB LEU A 33 -3.745 10.716 3.295 1.00 0.28 C ATOM 541 CG LEU A 33 -2.262 10.321 3.305 1.00 0.72 C ATOM 542 CD1 LEU A 33 -1.705 10.276 4.721 1.00 1.20 C ATOM 543 CD2 LEU A 33 -2.068 8.975 2.622 1.00 1.61 C ATOM 0 H LEU A 33 -4.583 10.400 5.597 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.255 12.551 4.291 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.336 9.849 3.590 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -4.031 10.963 2.273 1.00 0.28 H new ATOM 0 HG LEU A 33 -1.713 11.084 2.753 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -0.653 9.993 4.689 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -1.803 11.259 5.182 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.260 9.544 5.307 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.011 8.708 2.637 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -2.642 8.213 3.150 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.412 9.038 1.590 1.00 1.61 H new ATOM 555 N GLU A 34 -6.476 12.212 3.718 1.00 0.21 N ATOM 556 CA GLU A 34 -7.609 12.944 3.162 1.00 0.25 C ATOM 557 C GLU A 34 -7.893 14.192 3.981 1.00 0.29 C ATOM 558 O GLU A 34 -8.264 15.236 3.439 1.00 0.33 O ATOM 559 CB GLU A 34 -8.849 12.055 3.070 1.00 0.31 C ATOM 560 CG GLU A 34 -9.135 11.265 4.335 1.00 0.38 C ATOM 561 CD GLU A 34 -10.335 10.352 4.205 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.470 10.821 4.417 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.153 9.155 3.895 1.00 0.63 O ATOM 0 H GLU A 34 -6.712 11.335 4.183 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.348 13.252 2.150 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.714 12.677 2.839 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.725 11.360 2.240 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.259 10.669 4.590 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.301 11.958 5.160 1.00 0.38 H new ATOM 570 N ALA A 35 -7.702 14.083 5.286 1.00 0.30 N ATOM 571 CA ALA A 35 -7.868 15.215 6.181 1.00 0.36 C ATOM 572 C ALA A 35 -6.800 16.286 5.937 1.00 0.35 C ATOM 573 O ALA A 35 -7.099 17.478 5.909 1.00 0.42 O ATOM 574 CB ALA A 35 -7.836 14.754 7.631 1.00 0.40 C ATOM 0 H ALA A 35 -7.430 13.216 5.750 1.00 0.30 H new ATOM 0 HA ALA A 35 -8.840 15.662 5.974 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -7.962 15.614 8.289 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.644 14.043 7.805 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -6.880 14.274 7.839 1.00 0.40 H new ATOM 580 N GLU A 36 -5.557 15.849 5.747 1.00 0.30 N ATOM 581 CA GLU A 36 -4.429 16.768 5.601 1.00 0.34 C ATOM 582 C GLU A 36 -4.249 17.249 4.167 1.00 0.31 C ATOM 583 O GLU A 36 -4.185 18.450 3.913 1.00 0.41 O ATOM 584 CB GLU A 36 -3.137 16.087 6.054 1.00 0.38 C ATOM 585 CG GLU A 36 -2.952 16.038 7.558 1.00 0.74 C ATOM 586 CD GLU A 36 -2.507 17.365 8.124 1.00 1.25 C ATOM 587 OE1 GLU A 36 -1.355 17.767 7.876 1.00 1.69 O ATOM 588 OE2 GLU A 36 -3.317 18.018 8.817 1.00 1.73 O ATOM 0 H GLU A 36 -5.304 14.862 5.690 1.00 0.30 H new ATOM 0 HA GLU A 36 -4.648 17.635 6.225 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.121 15.069 5.664 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.290 16.611 5.612 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -3.890 15.741 8.028 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.215 15.274 7.807 1.00 0.74 H new ATOM 595 N THR A 37 -4.170 16.315 3.229 1.00 0.24 N ATOM 596 CA THR A 37 -3.755 16.651 1.876 1.00 0.26 C ATOM 597 C THR A 37 -4.918 17.178 1.044 1.00 0.28 C ATOM 598 O THR A 37 -4.723 17.920 0.078 1.00 0.35 O ATOM 599 CB THR A 37 -3.123 15.440 1.153 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.127 14.477 0.825 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.062 14.782 2.026 1.00 0.29 C ATOM 0 H THR A 37 -4.385 15.329 3.378 1.00 0.24 H new ATOM 0 HA THR A 37 -3.005 17.436 1.974 1.00 0.26 H new ATOM 0 HB THR A 37 -2.655 15.803 0.238 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.744 14.378 1.580 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.631 13.932 1.497 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.278 15.504 2.252 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.517 14.438 2.955 1.00 0.29 H new ATOM 609 N GLY A 38 -6.127 16.799 1.436 1.00 0.28 N ATOM 610 CA GLY A 38 -7.296 17.092 0.634 1.00 0.35 C ATOM 611 C GLY A 38 -7.540 15.997 -0.378 1.00 0.35 C ATOM 612 O GLY A 38 -8.504 16.037 -1.146 1.00 0.44 O ATOM 0 H GLY A 38 -6.318 16.291 2.300 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.168 17.198 1.279 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.161 18.044 0.121 1.00 0.35 H new ATOM 616 N CYS A 39 -6.652 15.017 -0.374 1.00 0.29 N ATOM 617 CA CYS A 39 -6.775 13.867 -1.237 1.00 0.26 C ATOM 618 C CYS A 39 -7.376 12.711 -0.487 1.00 0.35 C ATOM 619 O CYS A 39 -6.813 12.231 0.492 1.00 0.73 O ATOM 620 CB CYS A 39 -5.409 13.459 -1.783 1.00 0.37 C ATOM 621 SG CYS A 39 -5.439 11.982 -2.816 1.00 1.29 S ATOM 0 H CYS A 39 -5.829 15.001 0.228 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.427 14.136 -2.068 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.000 14.286 -2.363 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.731 13.290 -0.946 1.00 0.37 H new ATOM 0 HG CYS A 39 -6.034 11.018 -2.178 1.00 1.29 H new ATOM 627 N LYS A 40 -8.509 12.248 -0.963 1.00 0.28 N ATOM 628 CA LYS A 40 -9.130 11.102 -0.378 1.00 0.27 C ATOM 629 C LYS A 40 -8.481 9.882 -1.000 1.00 0.24 C ATOM 630 O LYS A 40 -8.882 9.428 -2.071 1.00 0.26 O ATOM 631 CB LYS A 40 -10.643 11.129 -0.649 1.00 0.35 C ATOM 632 CG LYS A 40 -11.491 10.323 0.334 1.00 1.07 C ATOM 633 CD LYS A 40 -11.124 8.845 0.349 1.00 1.36 C ATOM 634 CE LYS A 40 -12.111 8.026 1.170 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.335 8.607 2.516 1.00 2.51 N ATOM 0 H LYS A 40 -9.012 12.653 -1.753 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.998 11.086 0.704 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.981 12.165 -0.632 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.823 10.751 -1.655 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.368 10.734 1.336 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -12.544 10.430 0.072 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -11.099 8.466 -0.673 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -10.121 8.723 0.759 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.061 7.966 0.639 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -11.738 7.007 1.273 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.063 8.057 3.015 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.448 8.579 3.058 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -12.651 9.593 2.420 1.00 2.51 H new ATOM 649 N ILE A 41 -7.455 9.377 -0.347 1.00 0.22 N ATOM 650 CA ILE A 41 -6.817 8.167 -0.805 1.00 0.21 C ATOM 651 C ILE A 41 -7.668 6.968 -0.398 1.00 0.23 C ATOM 652 O ILE A 41 -7.912 6.720 0.784 1.00 0.29 O ATOM 653 CB ILE A 41 -5.378 8.036 -0.246 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.763 6.690 -0.624 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.364 8.214 1.271 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.319 6.554 -0.192 1.00 0.25 C ATOM 0 H ILE A 41 -7.050 9.784 0.496 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.735 8.203 -1.891 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.777 8.827 -0.694 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.348 5.890 -0.171 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.827 6.559 -1.704 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.343 8.118 1.639 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.750 9.201 1.525 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -5.990 7.450 1.733 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.941 5.576 -0.490 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.723 7.334 -0.666 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.252 6.654 0.891 1.00 0.25 H new ATOM 668 N MET A 42 -8.147 6.249 -1.392 1.00 0.20 N ATOM 669 CA MET A 42 -9.065 5.160 -1.167 1.00 0.21 C ATOM 670 C MET A 42 -8.425 3.860 -1.582 1.00 0.20 C ATOM 671 O MET A 42 -7.790 3.768 -2.635 1.00 0.21 O ATOM 672 CB MET A 42 -10.369 5.367 -1.945 1.00 0.26 C ATOM 673 CG MET A 42 -10.166 5.609 -3.432 1.00 0.29 C ATOM 674 SD MET A 42 -11.712 5.546 -4.358 1.00 0.45 S ATOM 675 CE MET A 42 -11.211 6.314 -5.895 1.00 1.43 C ATOM 0 H MET A 42 -7.911 6.404 -2.372 1.00 0.20 H new ATOM 0 HA MET A 42 -9.303 5.129 -0.104 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.003 4.490 -1.813 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.905 6.215 -1.518 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.698 6.583 -3.578 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.478 4.862 -3.828 1.00 0.29 H new ATOM 0 HE1 MET A 42 -12.008 6.208 -6.631 1.00 1.43 H new ATOM 0 HE2 MET A 42 -11.013 7.372 -5.725 1.00 1.43 H new ATOM 0 HE3 MET A 42 -10.307 5.830 -6.266 1.00 1.43 H new ATOM 685 N VAL A 43 -8.569 2.865 -0.744 1.00 0.22 N ATOM 686 CA VAL A 43 -8.084 1.553 -1.068 1.00 0.25 C ATOM 687 C VAL A 43 -9.083 0.882 -2.003 1.00 0.27 C ATOM 688 O VAL A 43 -10.297 1.001 -1.820 1.00 0.41 O ATOM 689 CB VAL A 43 -7.841 0.691 0.186 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.725 -0.296 -0.085 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.500 1.556 1.393 1.00 0.79 C ATOM 0 H VAL A 43 -9.019 2.941 0.168 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.117 1.652 -1.561 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.758 0.148 0.415 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.554 -0.905 0.803 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.004 -0.940 -0.919 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.813 0.246 -0.334 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.334 0.919 2.262 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.597 2.130 1.186 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.325 2.239 1.596 1.00 0.79 H new ATOM 701 N ARG A 44 -8.566 0.205 -3.006 1.00 0.29 N ATOM 702 CA ARG A 44 -9.368 -0.318 -4.098 1.00 0.31 C ATOM 703 C ARG A 44 -9.060 -1.786 -4.305 1.00 0.38 C ATOM 704 O ARG A 44 -8.024 -2.264 -3.868 1.00 0.71 O ATOM 705 CB ARG A 44 -9.102 0.440 -5.406 1.00 0.33 C ATOM 706 CG ARG A 44 -9.697 1.839 -5.476 1.00 0.37 C ATOM 707 CD ARG A 44 -9.836 2.288 -6.918 1.00 0.50 C ATOM 708 NE ARG A 44 -10.903 3.272 -7.091 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.706 3.316 -8.159 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.567 2.424 -9.135 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.649 4.244 -8.253 1.00 1.10 N ATOM 0 H ARG A 44 -7.571 -0.001 -3.090 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.417 -0.188 -3.831 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.024 0.513 -5.552 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.497 -0.148 -6.235 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.673 1.850 -4.990 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.062 2.538 -4.931 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -8.892 2.715 -7.256 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.038 1.422 -7.548 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.043 3.964 -6.355 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -10.847 1.705 -9.070 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.181 2.459 -9.949 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.765 4.930 -7.507 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.258 4.271 -9.071 1.00 1.10 H new ATOM 725 N GLY A 45 -9.933 -2.486 -5.003 1.00 0.26 N ATOM 726 CA GLY A 45 -9.777 -3.915 -5.144 1.00 0.29 C ATOM 727 C GLY A 45 -10.342 -4.651 -3.951 1.00 0.29 C ATOM 728 O GLY A 45 -10.938 -4.036 -3.065 1.00 0.33 O ATOM 0 H GLY A 45 -10.747 -2.092 -5.475 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -10.279 -4.250 -6.051 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.720 -4.158 -5.257 1.00 0.29 H new ATOM 732 N LYS A 46 -10.179 -5.959 -3.921 1.00 0.39 N ATOM 733 CA LYS A 46 -10.641 -6.740 -2.787 1.00 0.50 C ATOM 734 C LYS A 46 -9.812 -6.417 -1.564 1.00 0.50 C ATOM 735 O LYS A 46 -8.594 -6.268 -1.628 1.00 0.62 O ATOM 736 CB LYS A 46 -10.626 -8.238 -3.109 1.00 0.74 C ATOM 737 CG LYS A 46 -9.236 -8.815 -3.332 1.00 0.90 C ATOM 738 CD LYS A 46 -9.265 -9.920 -4.376 1.00 0.94 C ATOM 739 CE LYS A 46 -9.366 -9.339 -5.779 1.00 0.72 C ATOM 740 NZ LYS A 46 -9.780 -10.349 -6.787 1.00 1.45 N ATOM 0 H LYS A 46 -9.734 -6.501 -4.662 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.676 -6.473 -2.572 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.105 -8.778 -2.292 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.227 -8.412 -4.002 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.558 -8.025 -3.653 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -8.846 -9.208 -2.393 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.364 -10.527 -4.294 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.112 -10.580 -4.189 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -10.083 -8.518 -5.777 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.401 -8.920 -6.065 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -9.833 -9.902 -7.725 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -9.084 -11.121 -6.811 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -10.713 -10.732 -6.532 1.00 1.45 H new ATOM 754 N GLY A 47 -10.501 -6.307 -0.456 1.00 0.57 N ATOM 755 CA GLY A 47 -9.954 -5.659 0.701 1.00 0.68 C ATOM 756 C GLY A 47 -10.796 -4.451 1.000 1.00 0.51 C ATOM 757 O GLY A 47 -10.803 -3.927 2.106 1.00 0.60 O ATOM 0 H GLY A 47 -11.449 -6.662 -0.334 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.949 -6.340 1.552 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -8.919 -5.367 0.520 1.00 0.68 H new ATOM 761 N SER A 48 -11.534 -4.025 -0.021 1.00 0.54 N ATOM 762 CA SER A 48 -12.542 -2.992 0.132 1.00 0.72 C ATOM 763 C SER A 48 -13.819 -3.615 0.735 1.00 1.02 C ATOM 764 O SER A 48 -14.820 -2.942 0.976 1.00 1.43 O ATOM 765 CB SER A 48 -12.843 -2.359 -1.221 1.00 0.82 C ATOM 766 OG SER A 48 -11.668 -1.814 -1.792 1.00 1.31 O ATOM 0 H SER A 48 -11.448 -4.387 -0.971 1.00 0.54 H new ATOM 0 HA SER A 48 -12.175 -2.214 0.802 1.00 0.72 H new ATOM 0 HB2 SER A 48 -13.266 -3.107 -1.892 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.593 -1.576 -1.103 1.00 0.82 H new ATOM 0 HG SER A 48 -11.304 -2.440 -2.452 1.00 1.31 H new ATOM 772 N MET A 49 -13.716 -4.913 1.006 1.00 1.18 N ATOM 773 CA MET A 49 -14.789 -5.761 1.526 1.00 1.58 C ATOM 774 C MET A 49 -14.462 -6.097 2.968 1.00 1.30 C ATOM 775 O MET A 49 -14.855 -7.122 3.519 1.00 1.70 O ATOM 776 CB MET A 49 -14.887 -7.046 0.691 1.00 2.49 C ATOM 777 CG MET A 49 -16.084 -7.927 1.016 1.00 3.25 C ATOM 778 SD MET A 49 -16.053 -9.486 0.110 1.00 4.35 S ATOM 779 CE MET A 49 -17.610 -10.205 0.632 1.00 5.15 C ATOM 0 H MET A 49 -12.846 -5.426 0.864 1.00 1.18 H new ATOM 0 HA MET A 49 -15.746 -5.243 1.470 1.00 1.58 H new ATOM 0 HB2 MET A 49 -14.929 -6.775 -0.364 1.00 2.49 H new ATOM 0 HB3 MET A 49 -13.976 -7.627 0.835 1.00 2.49 H new ATOM 0 HG2 MET A 49 -16.101 -8.132 2.086 1.00 3.25 H new ATOM 0 HG3 MET A 49 -17.002 -7.390 0.779 1.00 3.25 H new ATOM 0 HE1 MET A 49 -17.740 -11.177 0.156 1.00 5.15 H new ATOM 0 HE2 MET A 49 -17.609 -10.328 1.715 1.00 5.15 H new ATOM 0 HE3 MET A 49 -18.430 -9.547 0.343 1.00 5.15 H new ATOM 789 N ARG A 50 -13.754 -5.176 3.569 1.00 0.89 N ATOM 790 CA ARG A 50 -13.146 -5.368 4.866 1.00 1.28 C ATOM 791 C ARG A 50 -14.144 -5.083 5.968 1.00 1.22 C ATOM 792 O ARG A 50 -13.919 -5.397 7.135 1.00 1.55 O ATOM 793 CB ARG A 50 -11.917 -4.465 4.989 1.00 1.65 C ATOM 794 CG ARG A 50 -12.202 -2.958 4.950 1.00 2.14 C ATOM 795 CD ARG A 50 -12.863 -2.486 3.647 1.00 2.26 C ATOM 796 NE ARG A 50 -12.617 -1.060 3.423 1.00 3.05 N ATOM 797 CZ ARG A 50 -13.525 -0.192 2.975 1.00 3.84 C ATOM 798 NH1 ARG A 50 -14.738 -0.607 2.626 1.00 4.04 N ATOM 799 NH2 ARG A 50 -13.211 1.095 2.867 1.00 4.74 N ATOM 0 H ARG A 50 -13.579 -4.255 3.167 1.00 0.89 H new ATOM 0 HA ARG A 50 -12.831 -6.406 4.967 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -11.408 -4.697 5.925 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -11.226 -4.708 4.182 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -12.848 -2.698 5.789 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -11.266 -2.417 5.088 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -12.474 -3.062 2.808 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -13.936 -2.671 3.691 1.00 2.26 H new ATOM 0 HE ARG A 50 -11.682 -0.704 3.624 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -14.980 -1.595 2.700 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -15.427 0.063 2.284 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -12.278 1.416 3.126 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -13.903 1.762 2.525 1.00 4.74 H new ATOM 813 N ASP A 51 -15.257 -4.494 5.580 1.00 0.99 N ATOM 814 CA ASP A 51 -16.311 -4.198 6.493 1.00 1.15 C ATOM 815 C ASP A 51 -17.489 -5.088 6.149 1.00 1.27 C ATOM 816 O ASP A 51 -18.209 -4.812 5.188 1.00 1.24 O ATOM 817 CB ASP A 51 -16.695 -2.737 6.339 1.00 1.25 C ATOM 818 CG ASP A 51 -15.682 -1.761 6.899 1.00 1.85 C ATOM 819 OD1 ASP A 51 -15.569 -1.676 8.144 1.00 1.97 O ATOM 820 OD2 ASP A 51 -14.960 -1.122 6.108 1.00 2.67 O ATOM 0 H ASP A 51 -15.444 -4.212 4.618 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.002 -4.376 7.523 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.841 -2.522 5.280 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.652 -2.572 6.833 1.00 1.25 H new ATOM 825 N LYS A 52 -17.661 -6.173 6.892 1.00 1.46 N ATOM 826 CA LYS A 52 -18.747 -7.111 6.624 1.00 1.63 C ATOM 827 C LYS A 52 -20.083 -6.388 6.688 1.00 1.60 C ATOM 828 O LYS A 52 -20.963 -6.585 5.848 1.00 1.65 O ATOM 829 CB LYS A 52 -18.719 -8.268 7.625 1.00 1.89 C ATOM 830 CG LYS A 52 -19.813 -9.297 7.399 1.00 2.13 C ATOM 831 CD LYS A 52 -19.689 -9.961 6.036 1.00 2.73 C ATOM 832 CE LYS A 52 -20.881 -10.859 5.750 1.00 3.39 C ATOM 833 NZ LYS A 52 -22.148 -10.086 5.650 1.00 4.02 N ATOM 0 H LYS A 52 -17.067 -6.426 7.681 1.00 1.46 H new ATOM 0 HA LYS A 52 -18.615 -7.523 5.623 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -17.749 -8.763 7.568 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -18.813 -7.866 8.634 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -19.765 -10.056 8.179 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -20.788 -8.816 7.482 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.612 -9.197 5.262 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -18.771 -10.548 5.997 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -20.712 -11.401 4.819 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -20.972 -11.604 6.540 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -22.922 -10.722 5.371 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -22.367 -9.658 6.572 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -22.042 -9.337 4.937 1.00 4.02 H new ATOM 847 N LYS A 53 -20.210 -5.523 7.674 1.00 1.58 N ATOM 848 CA LYS A 53 -21.388 -4.697 7.794 1.00 1.61 C ATOM 849 C LYS A 53 -21.551 -3.831 6.548 1.00 1.43 C ATOM 850 O LYS A 53 -22.642 -3.710 6.014 1.00 1.45 O ATOM 851 CB LYS A 53 -21.312 -3.833 9.059 1.00 1.70 C ATOM 852 CG LYS A 53 -20.073 -2.955 9.142 1.00 1.61 C ATOM 853 CD LYS A 53 -19.947 -2.304 10.507 1.00 1.81 C ATOM 854 CE LYS A 53 -18.745 -1.375 10.577 1.00 2.29 C ATOM 855 NZ LYS A 53 -18.571 -0.797 11.937 1.00 2.51 N ATOM 0 H LYS A 53 -19.511 -5.376 8.402 1.00 1.58 H new ATOM 0 HA LYS A 53 -22.263 -5.341 7.880 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -22.197 -3.198 9.105 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -21.341 -4.484 9.932 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -19.186 -3.555 8.940 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.119 -2.184 8.372 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -20.855 -1.742 10.728 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -19.856 -3.076 11.271 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -17.845 -1.923 10.297 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -18.866 -0.570 9.853 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -17.742 -0.170 11.944 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -19.419 -0.253 12.194 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -18.430 -1.564 12.625 1.00 2.51 H new ATOM 869 N LYS A 54 -20.447 -3.282 6.046 1.00 1.31 N ATOM 870 CA LYS A 54 -20.503 -2.331 4.947 1.00 1.17 C ATOM 871 C LYS A 54 -21.062 -2.979 3.682 1.00 1.19 C ATOM 872 O LYS A 54 -21.836 -2.370 2.947 1.00 1.21 O ATOM 873 CB LYS A 54 -19.124 -1.739 4.685 1.00 1.09 C ATOM 874 CG LYS A 54 -19.144 -0.407 3.967 1.00 1.22 C ATOM 875 CD LYS A 54 -17.780 0.244 4.049 1.00 1.37 C ATOM 876 CE LYS A 54 -17.537 0.860 5.422 1.00 1.53 C ATOM 877 NZ LYS A 54 -16.134 1.335 5.587 1.00 2.16 N ATOM 0 H LYS A 54 -19.506 -3.481 6.385 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.178 -1.525 5.233 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -18.607 -1.618 5.637 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -18.543 -2.448 4.095 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -19.426 -0.551 2.924 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -19.895 0.245 4.413 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.009 -0.497 3.840 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.697 1.015 3.283 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.221 1.696 5.569 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -17.762 0.124 6.193 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -16.091 2.029 6.361 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -15.518 0.527 5.811 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -15.812 1.781 4.704 1.00 2.16 H new ATOM 891 N GLU A 55 -20.682 -4.222 3.444 1.00 1.26 N ATOM 892 CA GLU A 55 -21.139 -4.948 2.267 1.00 1.33 C ATOM 893 C GLU A 55 -22.592 -5.380 2.433 1.00 1.46 C ATOM 894 O GLU A 55 -23.272 -5.716 1.468 1.00 1.53 O ATOM 895 CB GLU A 55 -20.215 -6.138 1.988 1.00 1.44 C ATOM 896 CG GLU A 55 -20.217 -7.198 3.071 1.00 1.58 C ATOM 897 CD GLU A 55 -21.077 -8.397 2.716 1.00 1.79 C ATOM 898 OE1 GLU A 55 -20.793 -9.053 1.689 1.00 2.05 O ATOM 899 OE2 GLU A 55 -22.031 -8.692 3.462 1.00 1.96 O ATOM 0 H GLU A 55 -20.057 -4.753 4.050 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.097 -4.287 1.402 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -20.510 -6.598 1.045 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -19.197 -5.770 1.858 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.194 -7.530 3.250 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -20.578 -6.760 4.002 1.00 1.58 H new ATOM 906 N GLU A 56 -23.046 -5.405 3.674 1.00 1.51 N ATOM 907 CA GLU A 56 -24.436 -5.718 3.974 1.00 1.64 C ATOM 908 C GLU A 56 -25.385 -4.577 3.585 1.00 1.57 C ATOM 909 O GLU A 56 -26.311 -4.788 2.806 1.00 1.62 O ATOM 910 CB GLU A 56 -24.602 -6.079 5.450 1.00 1.78 C ATOM 911 CG GLU A 56 -24.070 -7.462 5.782 1.00 1.87 C ATOM 912 CD GLU A 56 -24.063 -7.766 7.263 1.00 2.05 C ATOM 913 OE1 GLU A 56 -24.984 -7.317 7.976 1.00 2.40 O ATOM 914 OE2 GLU A 56 -23.145 -8.487 7.714 1.00 2.33 O ATOM 0 H GLU A 56 -22.471 -5.212 4.494 1.00 1.51 H new ATOM 0 HA GLU A 56 -24.708 -6.583 3.368 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -24.084 -5.339 6.060 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -25.658 -6.028 5.715 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -24.676 -8.209 5.269 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -23.055 -7.555 5.395 1.00 1.87 H new ATOM 921 N GLN A 57 -25.187 -3.373 4.125 1.00 1.48 N ATOM 922 CA GLN A 57 -26.105 -2.274 3.817 1.00 1.47 C ATOM 923 C GLN A 57 -25.490 -1.267 2.843 1.00 1.36 C ATOM 924 O GLN A 57 -26.168 -0.768 1.950 1.00 1.40 O ATOM 925 CB GLN A 57 -26.592 -1.554 5.089 1.00 1.55 C ATOM 926 CG GLN A 57 -25.526 -0.732 5.801 1.00 1.59 C ATOM 927 CD GLN A 57 -24.528 -1.581 6.550 1.00 1.75 C ATOM 928 OE1 GLN A 57 -24.874 -2.629 7.093 1.00 2.37 O ATOM 929 NE2 GLN A 57 -23.277 -1.147 6.578 1.00 1.85 N ATOM 0 H GLN A 57 -24.424 -3.137 4.759 1.00 1.48 H new ATOM 0 HA GLN A 57 -26.969 -2.729 3.333 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.421 -0.898 4.824 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -26.983 -2.297 5.784 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -24.998 -0.121 5.069 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -26.009 -0.048 6.499 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -23.030 -0.272 6.115 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -22.560 -1.688 7.062 1.00 1.85 H new ATOM 938 N ASN A 58 -24.201 -0.987 3.000 1.00 1.27 N ATOM 939 CA ASN A 58 -23.538 0.050 2.203 1.00 1.21 C ATOM 940 C ASN A 58 -23.073 -0.515 0.870 1.00 1.16 C ATOM 941 O ASN A 58 -22.424 0.173 0.083 1.00 1.13 O ATOM 942 CB ASN A 58 -22.341 0.629 2.960 1.00 1.21 C ATOM 943 CG ASN A 58 -22.721 1.271 4.278 1.00 1.55 C ATOM 944 OD1 ASN A 58 -21.971 1.195 5.252 1.00 2.20 O ATOM 945 ND2 ASN A 58 -23.868 1.928 4.319 1.00 1.95 N ATOM 0 H ASN A 58 -23.592 -1.459 3.668 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.260 0.845 2.019 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -21.618 -0.165 3.146 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.846 1.370 2.332 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -24.158 2.394 5.179 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -24.462 1.968 3.491 1.00 1.95 H new ATOM 952 N ARG A 59 -23.377 -1.788 0.662 1.00 1.20 N ATOM 953 CA ARG A 59 -23.070 -2.500 -0.573 1.00 1.22 C ATOM 954 C ARG A 59 -23.416 -1.689 -1.819 1.00 1.19 C ATOM 955 O ARG A 59 -24.385 -0.924 -1.841 1.00 1.24 O ATOM 956 CB ARG A 59 -23.830 -3.823 -0.626 1.00 1.36 C ATOM 957 CG ARG A 59 -25.337 -3.675 -0.481 1.00 1.47 C ATOM 958 CD ARG A 59 -26.023 -5.027 -0.512 1.00 1.69 C ATOM 959 NE ARG A 59 -27.455 -4.937 -0.222 1.00 2.08 N ATOM 960 CZ ARG A 59 -28.123 -5.866 0.463 1.00 2.67 C ATOM 961 NH1 ARG A 59 -27.483 -6.941 0.911 1.00 2.95 N ATOM 962 NH2 ARG A 59 -29.419 -5.729 0.698 1.00 3.45 N ATOM 0 H ARG A 59 -23.851 -2.365 1.356 1.00 1.20 H new ATOM 0 HA ARG A 59 -21.994 -2.676 -0.568 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -23.613 -4.318 -1.573 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -23.461 -4.475 0.166 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -25.567 -3.168 0.456 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.723 -3.049 -1.285 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -25.882 -5.480 -1.494 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -25.550 -5.688 0.214 1.00 1.69 H new ATOM 0 HE ARG A 59 -27.968 -4.123 -0.561 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -26.485 -7.053 0.730 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -27.989 -7.654 1.435 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -29.916 -4.907 0.354 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -29.921 -6.445 1.223 1.00 3.45 H new ATOM 976 N GLY A 60 -22.616 -1.869 -2.853 1.00 1.15 N ATOM 977 CA GLY A 60 -22.854 -1.188 -4.109 1.00 1.15 C ATOM 978 C GLY A 60 -22.027 0.070 -4.243 1.00 1.07 C ATOM 979 O GLY A 60 -21.705 0.498 -5.350 1.00 1.09 O ATOM 0 H GLY A 60 -21.799 -2.479 -2.847 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.624 -1.861 -4.935 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -23.911 -0.936 -4.189 1.00 1.15 H new ATOM 983 N LYS A 61 -21.672 0.667 -3.113 1.00 1.00 N ATOM 984 CA LYS A 61 -20.892 1.897 -3.126 1.00 0.95 C ATOM 985 C LYS A 61 -19.418 1.612 -3.464 1.00 0.80 C ATOM 986 O LYS A 61 -19.002 0.460 -3.468 1.00 0.77 O ATOM 987 CB LYS A 61 -21.017 2.641 -1.796 1.00 1.04 C ATOM 988 CG LYS A 61 -20.184 2.067 -0.667 1.00 1.55 C ATOM 989 CD LYS A 61 -20.053 3.080 0.452 1.00 2.06 C ATOM 990 CE LYS A 61 -21.409 3.435 1.049 1.00 2.55 C ATOM 991 NZ LYS A 61 -21.369 4.698 1.835 1.00 3.16 N ATOM 0 H LYS A 61 -21.909 0.323 -2.183 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.296 2.541 -3.907 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -20.729 3.681 -1.949 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -22.064 2.641 -1.493 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -20.648 1.155 -0.290 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -19.196 1.793 -1.037 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -19.405 2.680 1.232 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -19.574 3.983 0.072 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -22.142 3.532 0.248 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -21.745 2.621 1.691 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -22.314 4.897 2.221 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -20.690 4.599 2.617 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -21.075 5.482 1.218 1.00 3.16 H new ATOM 1005 N PRO A 62 -18.636 2.674 -3.772 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.230 2.646 -4.209 1.00 0.66 C ATOM 1007 C PRO A 62 -16.357 1.448 -3.859 1.00 0.58 C ATOM 1008 O PRO A 62 -15.590 0.986 -4.694 1.00 0.51 O ATOM 1009 CB PRO A 62 -16.756 3.805 -3.366 1.00 0.70 C ATOM 1010 CG PRO A 62 -17.778 4.846 -3.643 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.078 4.083 -3.790 1.00 0.85 C ATOM 0 HA PRO A 62 -17.162 2.646 -5.297 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.717 3.547 -2.308 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -15.756 4.132 -3.652 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -17.834 5.571 -2.831 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -17.541 5.402 -4.550 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -19.769 4.300 -2.975 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -19.591 4.334 -4.718 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.489 0.912 -2.681 1.00 0.64 N ATOM 1020 CA ASN A 63 -15.605 -0.162 -2.263 1.00 0.63 C ATOM 1021 C ASN A 63 -16.035 -1.438 -2.929 1.00 0.56 C ATOM 1022 O ASN A 63 -15.223 -2.286 -3.263 1.00 0.51 O ATOM 1023 CB ASN A 63 -15.640 -0.364 -0.761 1.00 0.79 C ATOM 1024 CG ASN A 63 -16.446 0.672 -0.034 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -16.354 1.870 -0.278 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -17.260 0.202 0.867 1.00 1.06 N ATOM 0 H ASN A 63 -17.188 1.189 -1.992 1.00 0.64 H new ATOM 0 HA ASN A 63 -14.589 0.107 -2.551 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.052 -1.350 -0.545 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -14.620 -0.353 -0.378 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -17.852 0.838 1.401 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -17.306 -0.802 1.039 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.327 -1.533 -3.122 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.957 -2.664 -3.758 1.00 0.62 C ATOM 1035 C TRP A 64 -17.991 -2.403 -5.249 1.00 0.60 C ATOM 1036 O TRP A 64 -18.161 -3.308 -6.060 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.357 -2.819 -3.180 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.366 -2.500 -1.719 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -19.963 -1.439 -1.114 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.679 -3.208 -0.695 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -19.706 -1.456 0.231 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -18.917 -2.536 0.512 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -17.896 -4.355 -0.680 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -18.383 -2.966 1.719 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.375 -4.780 0.516 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -17.618 -4.088 1.703 1.00 1.18 C ATOM 0 H TRP A 64 -17.986 -0.809 -2.835 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.410 -3.590 -3.580 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -20.047 -2.159 -3.705 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.709 -3.839 -3.337 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.554 -0.691 -1.621 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.047 -0.776 0.910 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.701 -4.901 -1.591 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -18.569 -2.428 2.637 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.763 -5.670 0.539 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.190 -4.451 2.626 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.828 -1.128 -5.582 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.567 -0.703 -6.940 1.00 0.55 C ATOM 1059 C GLU A 65 -16.245 -1.297 -7.423 1.00 0.48 C ATOM 1060 O GLU A 65 -16.189 -2.026 -8.412 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.490 0.822 -7.006 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.599 1.324 -8.130 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.328 2.807 -8.050 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -15.396 3.204 -7.321 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -17.059 3.576 -8.709 1.00 1.59 O ATOM 0 H GLU A 65 -17.874 -0.362 -4.910 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.378 -1.051 -7.579 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.494 1.225 -7.138 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.116 1.203 -6.056 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.652 0.785 -8.104 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.068 1.097 -9.087 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.184 -0.986 -6.692 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.843 -1.400 -7.070 1.00 0.38 C ATOM 1074 C HIS A 66 -13.439 -2.709 -6.400 1.00 0.36 C ATOM 1075 O HIS A 66 -12.315 -3.161 -6.563 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.812 -0.297 -6.792 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.809 0.251 -5.402 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -12.938 1.595 -5.125 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.621 -0.358 -4.217 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -12.819 1.784 -3.823 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.622 0.613 -3.244 1.00 0.47 N ATOM 0 H HIS A 66 -15.228 -0.445 -5.829 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.860 -1.577 -8.145 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.819 -0.690 -7.010 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.989 0.524 -7.486 1.00 0.38 H new ATOM 0 HD2 HIS A 66 -12.492 -1.419 -4.059 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -12.874 2.736 -3.317 1.00 0.52 H new ATOM 0 HE2 HIS A 66 -12.493 0.456 -2.244 1.00 0.47 H new ATOM 1090 N LEU A 67 -14.345 -3.301 -5.627 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.119 -4.636 -5.059 1.00 0.40 C ATOM 1092 C LEU A 67 -13.909 -5.647 -6.176 1.00 0.41 C ATOM 1093 O LEU A 67 -13.394 -6.746 -5.971 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.319 -5.067 -4.210 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.193 -6.435 -3.538 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.062 -6.424 -2.528 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.504 -6.825 -2.872 1.00 1.59 C ATOM 0 H LEU A 67 -15.241 -2.883 -5.377 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.231 -4.595 -4.429 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.484 -4.316 -3.437 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.206 -5.073 -4.843 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.965 -7.178 -4.303 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -13.984 -7.404 -2.058 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.125 -6.189 -3.033 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -14.262 -5.671 -1.766 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.396 -7.801 -2.399 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.763 -6.083 -2.117 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -17.294 -6.871 -3.622 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.303 -5.238 -7.365 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.228 -6.079 -8.542 1.00 0.47 C ATOM 1111 C ASN A 68 -12.857 -5.927 -9.201 1.00 0.44 C ATOM 1112 O ASN A 68 -12.616 -6.431 -10.298 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.368 -5.702 -9.497 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.712 -5.698 -8.777 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -17.409 -6.708 -8.730 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -17.082 -4.549 -8.210 1.00 0.58 N ATOM 0 H ASN A 68 -14.686 -4.309 -7.543 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.344 -7.128 -8.269 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.178 -4.717 -9.923 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.399 -6.408 -10.327 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -17.972 -4.488 -7.715 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.475 -3.732 -8.271 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.967 -5.216 -8.509 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.584 -5.039 -8.940 1.00 0.37 C ATOM 1125 C GLU A 69 -9.653 -5.814 -8.010 1.00 0.32 C ATOM 1126 O GLU A 69 -10.101 -6.434 -7.042 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.191 -3.556 -8.888 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.109 -2.624 -9.666 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.707 -1.165 -9.527 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.360 -0.742 -8.406 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -10.758 -0.428 -10.536 1.00 1.85 O ATOM 0 H GLU A 69 -12.187 -4.746 -7.631 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.495 -5.407 -9.962 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.171 -3.236 -7.846 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.177 -3.450 -9.274 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.096 -2.903 -10.720 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.133 -2.751 -9.315 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.358 -5.759 -8.289 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.357 -6.314 -7.384 1.00 0.30 C ATOM 1140 C ASP A 70 -6.819 -5.229 -6.475 1.00 0.22 C ATOM 1141 O ASP A 70 -6.672 -4.080 -6.893 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.214 -6.997 -8.134 1.00 0.41 C ATOM 1143 CG ASP A 70 -6.472 -8.479 -8.327 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.444 -9.227 -7.329 1.00 1.10 O ATOM 1145 OD2 ASP A 70 -6.707 -8.908 -9.478 1.00 1.21 O ATOM 0 H ASP A 70 -7.974 -5.336 -9.134 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.848 -7.079 -6.783 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.082 -6.522 -9.106 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.284 -6.859 -7.583 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.550 -5.601 -5.231 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.219 -4.648 -4.177 1.00 0.17 C ATOM 1152 C LEU A 71 -5.070 -3.720 -4.563 1.00 0.17 C ATOM 1153 O LEU A 71 -3.961 -4.149 -4.868 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.884 -5.393 -2.881 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.631 -4.509 -1.658 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.738 -3.485 -1.500 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.529 -5.360 -0.406 1.00 0.79 C ATOM 0 H LEU A 71 -6.555 -6.573 -4.922 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.097 -4.021 -4.024 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.704 -6.074 -2.652 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.999 -6.006 -3.053 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.689 -3.982 -1.806 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.539 -2.866 -0.625 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.780 -2.854 -2.388 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.692 -3.997 -1.373 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.349 -4.718 0.456 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.460 -5.909 -0.262 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.705 -6.065 -0.512 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.376 -2.441 -4.586 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.380 -1.412 -4.788 1.00 0.17 C ATOM 1171 C HIS A 72 -4.777 -0.171 -4.009 1.00 0.17 C ATOM 1172 O HIS A 72 -5.927 -0.043 -3.594 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.206 -1.095 -6.276 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.456 -0.660 -6.993 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.331 -1.554 -7.568 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.950 0.573 -7.274 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.299 -0.898 -8.176 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.095 0.394 -8.017 1.00 0.29 N ATOM 0 H HIS A 72 -6.324 -2.085 -4.465 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.419 -1.772 -4.422 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.457 -0.310 -6.378 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.810 -1.980 -6.775 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.243 -2.569 -7.529 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.524 1.518 -6.971 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.122 -1.345 -8.714 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.850 0.747 -3.822 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.165 1.987 -3.132 1.00 0.19 C ATOM 1189 C VAL A 73 -4.278 3.103 -4.152 1.00 0.20 C ATOM 1190 O VAL A 73 -3.560 3.110 -5.150 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.121 2.353 -2.051 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.120 1.320 -0.934 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.731 2.488 -2.649 1.00 0.29 C ATOM 0 H VAL A 73 -2.882 0.662 -4.133 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.113 1.848 -2.612 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.402 3.319 -1.632 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.379 1.596 -0.184 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.107 1.282 -0.472 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.874 0.341 -1.344 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -1.020 2.746 -1.864 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.439 1.543 -3.107 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.735 3.272 -3.406 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.200 4.014 -3.941 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.436 5.062 -4.909 1.00 0.18 C ATOM 1205 C LEU A 74 -5.561 6.403 -4.233 1.00 0.18 C ATOM 1206 O LEU A 74 -6.443 6.611 -3.407 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.703 4.746 -5.712 1.00 0.22 C ATOM 1208 CG LEU A 74 -6.942 5.590 -6.970 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.969 4.924 -7.857 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.424 6.984 -6.619 1.00 0.80 C ATOM 0 H LEU A 74 -5.796 4.052 -3.114 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.584 5.109 -5.587 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.668 3.697 -6.006 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.563 4.864 -5.053 1.00 0.22 H new ATOM 0 HG LEU A 74 -5.991 5.671 -7.496 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.130 5.532 -8.747 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.610 3.938 -8.152 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.908 4.821 -7.313 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.583 7.555 -7.534 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.361 6.917 -6.066 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.675 7.484 -6.005 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.681 7.312 -4.594 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.819 8.682 -4.156 1.00 0.18 C ATOM 1224 C ILE A 75 -5.732 9.425 -5.116 1.00 0.18 C ATOM 1225 O ILE A 75 -5.367 9.715 -6.256 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.458 9.407 -4.055 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.448 8.781 -5.014 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.938 9.397 -2.625 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.202 9.607 -5.209 1.00 0.30 C ATOM 0 H ILE A 75 -3.870 7.129 -5.184 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.251 8.670 -3.155 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.602 10.448 -4.345 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.166 7.797 -4.638 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -2.926 8.628 -5.981 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.979 9.914 -2.583 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.652 9.903 -1.975 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.810 8.367 -2.292 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.533 9.098 -5.903 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.472 10.582 -5.615 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.699 9.739 -4.251 1.00 0.30 H new ATOM 1241 N THR A 76 -6.932 9.690 -4.643 1.00 0.17 N ATOM 1242 CA THR A 76 -7.926 10.430 -5.394 1.00 0.20 C ATOM 1243 C THR A 76 -8.029 11.842 -4.858 1.00 0.19 C ATOM 1244 O THR A 76 -8.319 12.038 -3.680 1.00 0.22 O ATOM 1245 CB THR A 76 -9.302 9.768 -5.249 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.178 8.527 -4.545 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.920 9.528 -6.604 1.00 0.31 C ATOM 0 H THR A 76 -7.248 9.396 -3.719 1.00 0.17 H new ATOM 0 HA THR A 76 -7.624 10.440 -6.441 1.00 0.20 H new ATOM 0 HB THR A 76 -9.950 10.438 -4.684 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.313 8.680 -3.586 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.896 9.058 -6.481 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.038 10.479 -7.123 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.273 8.874 -7.188 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.811 12.826 -5.695 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.892 14.195 -5.227 1.00 0.25 C ATOM 1257 C VAL A 77 -9.006 14.951 -5.926 1.00 0.33 C ATOM 1258 O VAL A 77 -9.253 14.774 -7.117 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.556 14.959 -5.397 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -6.533 15.800 -6.667 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.288 15.824 -4.183 1.00 0.86 C ATOM 0 H VAL A 77 -7.581 12.714 -6.682 1.00 0.23 H new ATOM 0 HA VAL A 77 -8.112 14.139 -4.161 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.764 14.216 -5.489 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -5.577 16.317 -6.743 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -6.666 15.153 -7.534 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -7.340 16.532 -6.633 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.346 16.355 -4.316 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -7.097 16.544 -4.064 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.228 15.195 -3.294 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.697 15.748 -5.141 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.690 16.681 -5.636 1.00 0.50 C ATOM 1273 C GLU A 78 -10.196 18.094 -5.371 1.00 0.63 C ATOM 1274 O GLU A 78 -10.365 18.613 -4.265 1.00 0.77 O ATOM 1275 CB GLU A 78 -12.029 16.453 -4.933 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.708 15.150 -5.316 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.424 15.248 -6.643 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -12.740 15.317 -7.684 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -14.666 15.234 -6.657 1.00 1.63 O ATOM 0 H GLU A 78 -9.585 15.768 -4.127 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.837 16.531 -6.706 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.869 16.466 -3.855 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.697 17.282 -5.166 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -11.964 14.355 -5.364 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -13.421 14.872 -4.540 1.00 0.62 H new ATOM 1286 N ASP A 79 -9.544 18.692 -6.362 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.905 19.996 -6.177 1.00 0.84 C ATOM 1288 C ASP A 79 -8.342 20.511 -7.506 1.00 0.75 C ATOM 1289 O ASP A 79 -8.529 19.877 -8.550 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.778 19.855 -5.136 1.00 1.20 C ATOM 1291 CG ASP A 79 -7.137 21.174 -4.755 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.838 22.044 -4.206 1.00 2.05 O ATOM 1293 OD2 ASP A 79 -5.930 21.348 -5.019 1.00 1.81 O ATOM 0 H ASP A 79 -9.442 18.300 -7.298 1.00 0.66 H new ATOM 0 HA ASP A 79 -9.643 20.716 -5.823 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.180 19.383 -4.239 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -7.011 19.188 -5.531 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.663 21.660 -7.466 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.939 22.181 -8.622 1.00 1.17 C ATOM 1300 C ALA A 80 -5.698 21.330 -8.883 1.00 1.09 C ATOM 1301 O ALA A 80 -4.996 21.520 -9.881 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.555 23.637 -8.394 1.00 1.85 C ATOM 0 H ALA A 80 -7.601 22.250 -6.636 1.00 0.91 H new ATOM 0 HA ALA A 80 -7.586 22.133 -9.498 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -6.016 24.012 -9.264 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.456 24.231 -8.242 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -5.918 23.712 -7.513 1.00 1.85 H new ATOM 1308 N GLN A 81 -5.422 20.438 -7.930 1.00 1.04 N ATOM 1309 CA GLN A 81 -4.470 19.339 -8.087 1.00 1.65 C ATOM 1310 C GLN A 81 -3.049 19.702 -7.668 1.00 0.98 C ATOM 1311 O GLN A 81 -2.478 19.013 -6.842 1.00 0.75 O ATOM 1312 CB GLN A 81 -4.469 18.776 -9.514 1.00 2.75 C ATOM 1313 CG GLN A 81 -3.537 17.593 -9.680 1.00 3.72 C ATOM 1314 CD GLN A 81 -3.534 17.025 -11.079 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -4.523 17.109 -11.805 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -2.418 16.429 -11.462 1.00 5.39 N ATOM 0 H GLN A 81 -5.863 20.460 -7.010 1.00 1.04 H new ATOM 0 HA GLN A 81 -4.820 18.564 -7.405 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -5.482 18.474 -9.781 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -4.177 19.563 -10.209 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -2.524 17.898 -9.417 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -3.826 16.810 -8.979 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -1.621 16.382 -10.827 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -2.354 16.016 -12.392 1.00 5.39 H new ATOM 1325 N ASN A 82 -2.498 20.782 -8.214 1.00 0.84 N ATOM 1326 CA ASN A 82 -1.060 21.076 -8.084 1.00 0.71 C ATOM 1327 C ASN A 82 -0.550 20.960 -6.641 1.00 0.59 C ATOM 1328 O ASN A 82 0.299 20.112 -6.335 1.00 0.56 O ATOM 1329 CB ASN A 82 -0.760 22.477 -8.618 1.00 1.13 C ATOM 1330 CG ASN A 82 0.727 22.773 -8.694 1.00 1.74 C ATOM 1331 OD1 ASN A 82 1.525 21.756 -8.989 1.00 2.48 O flip ATOM 1332 ND2 ASN A 82 1.152 23.914 -8.509 1.00 2.28 N flip ATOM 0 H ASN A 82 -3.020 21.473 -8.753 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.535 20.324 -8.673 1.00 0.71 H new ATOM 0 HB2 ASN A 82 -1.198 22.584 -9.610 1.00 1.13 H new ATOM 0 HB3 ASN A 82 -1.240 23.216 -7.976 1.00 1.13 H new ATOM 0 HD21 ASN A 82 0.504 24.669 -8.284 1.00 2.28 H new ATOM 0 HD22 ASN A 82 2.152 24.104 -8.581 1.00 2.28 H new ATOM 1339 N ARG A 83 -1.080 21.789 -5.755 1.00 0.65 N ATOM 1340 CA ARG A 83 -0.624 21.809 -4.371 1.00 0.63 C ATOM 1341 C ARG A 83 -0.997 20.509 -3.665 1.00 0.46 C ATOM 1342 O ARG A 83 -0.215 19.961 -2.882 1.00 0.43 O ATOM 1343 CB ARG A 83 -1.227 23.008 -3.628 1.00 0.81 C ATOM 1344 CG ARG A 83 -0.765 23.133 -2.182 1.00 1.66 C ATOM 1345 CD ARG A 83 0.734 23.366 -2.096 1.00 2.10 C ATOM 1346 NE ARG A 83 1.195 23.484 -0.711 1.00 2.64 N ATOM 1347 CZ ARG A 83 2.474 23.612 -0.354 1.00 3.34 C ATOM 1348 NH1 ARG A 83 3.427 23.663 -1.279 1.00 3.68 N ATOM 1349 NH2 ARG A 83 2.795 23.706 0.934 1.00 4.17 N ATOM 0 H ARG A 83 -1.823 22.455 -5.967 1.00 0.65 H new ATOM 0 HA ARG A 83 0.462 21.905 -4.368 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.968 23.922 -4.162 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -2.314 22.925 -3.646 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -1.291 23.958 -1.701 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -1.026 22.226 -1.636 1.00 1.66 H new ATOM 0 HD2 ARG A 83 1.257 22.543 -2.583 1.00 2.10 H new ATOM 0 HD3 ARG A 83 0.991 24.274 -2.642 1.00 2.10 H new ATOM 0 HE ARG A 83 0.493 23.467 0.029 1.00 2.64 H new ATOM 0 HH11 ARG A 83 3.182 23.604 -2.267 1.00 3.68 H new ATOM 0 HH12 ARG A 83 4.403 23.761 -1.000 1.00 3.68 H new ATOM 0 HH21 ARG A 83 2.064 23.680 1.645 1.00 4.17 H new ATOM 0 HH22 ARG A 83 3.772 23.804 1.210 1.00 4.17 H new ATOM 1363 N ALA A 84 -2.183 20.009 -3.974 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.711 18.830 -3.314 1.00 0.38 C ATOM 1365 C ALA A 84 -1.941 17.572 -3.700 1.00 0.29 C ATOM 1366 O ALA A 84 -1.657 16.735 -2.849 1.00 0.35 O ATOM 1367 CB ALA A 84 -4.187 18.665 -3.631 1.00 0.49 C ATOM 0 H ALA A 84 -2.800 20.406 -4.683 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.590 18.972 -2.240 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.570 17.776 -3.129 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.734 19.542 -3.284 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -4.318 18.558 -4.708 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.593 17.453 -4.980 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.907 16.268 -5.483 1.00 0.26 C ATOM 1375 C GLU A 85 0.494 16.178 -4.905 1.00 0.28 C ATOM 1376 O GLU A 85 0.996 15.086 -4.669 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.867 16.254 -7.017 1.00 0.34 C ATOM 1378 CG GLU A 85 0.076 17.269 -7.636 1.00 0.49 C ATOM 1379 CD GLU A 85 -0.021 17.311 -9.145 1.00 0.79 C ATOM 1380 OE1 GLU A 85 -0.241 16.251 -9.768 1.00 1.31 O ATOM 1381 OE2 GLU A 85 0.108 18.411 -9.721 1.00 1.24 O ATOM 0 H GLU A 85 -1.776 18.165 -5.687 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.470 15.392 -5.160 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.576 15.258 -7.350 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.873 16.435 -7.395 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.146 18.258 -7.234 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.100 17.030 -7.348 1.00 0.49 H new ATOM 1388 N LEU A 86 1.119 17.326 -4.666 1.00 0.30 N ATOM 1389 CA LEU A 86 2.408 17.350 -3.987 1.00 0.36 C ATOM 1390 C LEU A 86 2.247 16.756 -2.583 1.00 0.28 C ATOM 1391 O LEU A 86 3.033 15.909 -2.144 1.00 0.28 O ATOM 1392 CB LEU A 86 2.933 18.798 -3.922 1.00 0.47 C ATOM 1393 CG LEU A 86 4.413 18.988 -3.533 1.00 0.73 C ATOM 1394 CD1 LEU A 86 4.629 18.781 -2.040 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.307 18.047 -4.330 1.00 1.47 C ATOM 0 H LEU A 86 0.758 18.243 -4.929 1.00 0.30 H new ATOM 0 HA LEU A 86 3.134 16.751 -4.537 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.777 19.259 -4.897 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.321 19.349 -3.207 1.00 0.47 H new ATOM 0 HG LEU A 86 4.684 20.016 -3.773 1.00 0.73 H new ATOM 0 HD11 LEU A 86 5.683 18.923 -1.802 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.031 19.502 -1.482 1.00 1.45 H new ATOM 0 HD13 LEU A 86 4.328 17.770 -1.765 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.346 18.199 -4.039 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.021 17.015 -4.128 1.00 1.47 H new ATOM 0 HD23 LEU A 86 5.195 18.253 -5.394 1.00 1.47 H new ATOM 1407 N LYS A 87 1.197 17.188 -1.902 1.00 0.24 N ATOM 1408 CA LYS A 87 0.936 16.759 -0.537 1.00 0.22 C ATOM 1409 C LYS A 87 0.499 15.285 -0.481 1.00 0.18 C ATOM 1410 O LYS A 87 0.926 14.539 0.403 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.125 17.675 0.080 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.099 17.732 1.600 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.045 18.806 2.114 1.00 0.75 C ATOM 1414 CE LYS A 87 -1.087 18.849 3.633 1.00 1.40 C ATOM 1415 NZ LYS A 87 0.230 19.189 4.233 1.00 1.74 N ATOM 0 H LYS A 87 0.507 17.840 -2.276 1.00 0.24 H new ATOM 0 HA LYS A 87 1.858 16.834 0.040 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.011 18.683 -0.312 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.110 17.338 -0.242 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.384 16.763 2.010 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.915 17.938 1.944 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.732 19.778 1.732 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -2.048 18.620 1.729 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.827 19.583 3.951 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.415 17.881 4.011 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 0.120 19.321 5.259 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 0.903 18.417 4.054 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 0.589 20.067 3.807 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.349 14.865 -1.416 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.812 13.477 -1.444 1.00 0.21 C ATOM 1431 C LEU A 88 0.299 12.522 -1.852 1.00 0.21 C ATOM 1432 O LEU A 88 0.366 11.409 -1.343 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.050 13.302 -2.349 1.00 0.30 C ATOM 1434 CG LEU A 88 -1.944 13.850 -3.781 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -1.210 12.887 -4.692 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.321 14.143 -4.350 1.00 1.33 C ATOM 0 H LEU A 88 -0.727 15.456 -2.157 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.110 13.225 -0.426 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.280 12.238 -2.408 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.898 13.785 -1.862 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.374 14.777 -3.730 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -1.154 13.307 -5.696 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -0.202 12.722 -4.311 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -1.745 11.938 -4.725 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.221 14.530 -5.364 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -3.910 13.226 -4.368 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.822 14.884 -3.727 1.00 1.33 H new ATOM 1448 N LYS A 89 1.185 12.951 -2.748 1.00 0.26 N ATOM 1449 CA LYS A 89 2.235 12.061 -3.229 1.00 0.31 C ATOM 1450 C LYS A 89 3.222 11.741 -2.115 1.00 0.29 C ATOM 1451 O LYS A 89 3.637 10.603 -1.972 1.00 0.30 O ATOM 1452 CB LYS A 89 2.950 12.617 -4.481 1.00 0.41 C ATOM 1453 CG LYS A 89 3.704 13.929 -4.285 1.00 0.47 C ATOM 1454 CD LYS A 89 5.122 13.718 -3.776 1.00 0.90 C ATOM 1455 CE LYS A 89 6.000 13.047 -4.819 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.370 12.790 -4.302 1.00 2.07 N ATOM 0 H LYS A 89 1.197 13.889 -3.148 1.00 0.26 H new ATOM 0 HA LYS A 89 1.757 11.131 -3.537 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.653 11.865 -4.839 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.208 12.759 -5.267 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.738 14.469 -5.231 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.158 14.556 -3.580 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.556 14.679 -3.499 1.00 0.90 H new ATOM 0 HD3 LYS A 89 5.098 13.107 -2.874 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.545 12.106 -5.127 1.00 1.05 H new ATOM 0 HE3 LYS A 89 6.058 13.678 -5.706 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.945 12.347 -5.047 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.807 13.689 -4.016 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.318 12.154 -3.481 1.00 2.07 H new ATOM 1470 N ARG A 90 3.568 12.731 -1.300 1.00 0.27 N ATOM 1471 CA ARG A 90 4.504 12.497 -0.203 1.00 0.30 C ATOM 1472 C ARG A 90 3.872 11.594 0.850 1.00 0.25 C ATOM 1473 O ARG A 90 4.532 10.726 1.427 1.00 0.28 O ATOM 1474 CB ARG A 90 4.976 13.808 0.438 1.00 0.36 C ATOM 1475 CG ARG A 90 3.848 14.728 0.882 1.00 0.35 C ATOM 1476 CD ARG A 90 4.298 15.699 1.961 1.00 0.75 C ATOM 1477 NE ARG A 90 4.467 15.035 3.255 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.398 15.359 4.150 1.00 1.98 C ATOM 1479 NH1 ARG A 90 6.284 16.307 3.878 1.00 2.10 N ATOM 1480 NH2 ARG A 90 5.439 14.727 5.314 1.00 2.93 N ATOM 0 H ARG A 90 3.223 13.688 -1.374 1.00 0.27 H new ATOM 0 HA ARG A 90 5.380 12.002 -0.622 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.599 13.573 1.301 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.606 14.341 -0.274 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.476 15.287 0.023 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.018 14.129 1.256 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.239 16.161 1.664 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.566 16.501 2.057 1.00 0.75 H new ATOM 0 HE ARG A 90 3.829 14.273 3.486 1.00 1.44 H new ATOM 0 HH11 ARG A 90 6.254 16.791 2.981 1.00 2.10 H new ATOM 0 HH12 ARG A 90 6.996 16.552 4.566 1.00 2.10 H new ATOM 0 HH21 ARG A 90 4.759 13.996 5.521 1.00 2.93 H new ATOM 0 HH22 ARG A 90 6.151 14.972 6.003 1.00 2.93 H new ATOM 1494 N ALA A 91 2.583 11.801 1.079 1.00 0.22 N ATOM 1495 CA ALA A 91 1.835 10.998 2.029 1.00 0.23 C ATOM 1496 C ALA A 91 1.667 9.571 1.523 1.00 0.21 C ATOM 1497 O ALA A 91 1.884 8.606 2.256 1.00 0.24 O ATOM 1498 CB ALA A 91 0.481 11.627 2.275 1.00 0.26 C ATOM 0 H ALA A 91 2.033 12.524 0.615 1.00 0.22 H new ATOM 0 HA ALA A 91 2.392 10.961 2.965 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.077 11.021 2.989 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.614 12.631 2.677 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.070 11.682 1.336 1.00 0.26 H new ATOM 1504 N VAL A 92 1.278 9.445 0.264 1.00 0.18 N ATOM 1505 CA VAL A 92 1.062 8.145 -0.339 1.00 0.19 C ATOM 1506 C VAL A 92 2.382 7.403 -0.518 1.00 0.22 C ATOM 1507 O VAL A 92 2.416 6.177 -0.521 1.00 0.24 O ATOM 1508 CB VAL A 92 0.330 8.262 -1.690 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.281 8.668 -2.806 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.382 6.960 -2.015 1.00 0.26 C ATOM 0 H VAL A 92 1.105 10.233 -0.360 1.00 0.18 H new ATOM 0 HA VAL A 92 0.428 7.574 0.340 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.418 9.051 -1.606 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.731 8.741 -3.744 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.727 9.634 -2.571 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.068 7.920 -2.904 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.895 7.055 -2.972 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.347 6.151 -2.073 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.109 6.738 -1.234 1.00 0.26 H new ATOM 1520 N GLU A 93 3.467 8.150 -0.686 1.00 0.25 N ATOM 1521 CA GLU A 93 4.787 7.554 -0.748 1.00 0.31 C ATOM 1522 C GLU A 93 5.160 6.918 0.585 1.00 0.31 C ATOM 1523 O GLU A 93 5.886 5.924 0.627 1.00 0.33 O ATOM 1524 CB GLU A 93 5.823 8.584 -1.173 1.00 0.39 C ATOM 1525 CG GLU A 93 5.861 8.793 -2.680 1.00 0.71 C ATOM 1526 CD GLU A 93 6.946 9.744 -3.135 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.098 10.826 -2.531 1.00 1.61 O ATOM 1528 OE2 GLU A 93 7.642 9.421 -4.121 1.00 1.63 O ATOM 0 H GLU A 93 3.454 9.165 -0.781 1.00 0.25 H new ATOM 0 HA GLU A 93 4.769 6.765 -1.500 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.606 9.534 -0.684 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.807 8.266 -0.830 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.007 7.829 -3.168 1.00 0.71 H new ATOM 0 HG3 GLU A 93 4.894 9.174 -3.010 1.00 0.71 H new ATOM 1535 N GLU A 94 4.671 7.493 1.671 1.00 0.31 N ATOM 1536 CA GLU A 94 4.766 6.845 2.974 1.00 0.34 C ATOM 1537 C GLU A 94 3.987 5.535 2.960 1.00 0.29 C ATOM 1538 O GLU A 94 4.406 4.542 3.557 1.00 0.29 O ATOM 1539 CB GLU A 94 4.247 7.759 4.085 1.00 0.42 C ATOM 1540 CG GLU A 94 5.097 8.997 4.310 1.00 0.90 C ATOM 1541 CD GLU A 94 6.509 8.662 4.746 1.00 1.40 C ATOM 1542 OE1 GLU A 94 6.720 8.422 5.954 1.00 1.62 O ATOM 1543 OE2 GLU A 94 7.412 8.636 3.886 1.00 2.09 O ATOM 0 H GLU A 94 4.207 8.401 1.680 1.00 0.31 H new ATOM 0 HA GLU A 94 5.816 6.636 3.176 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.230 8.068 3.843 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.195 7.192 5.014 1.00 0.42 H new ATOM 0 HG2 GLU A 94 5.133 9.581 3.390 1.00 0.90 H new ATOM 0 HG3 GLU A 94 4.626 9.624 5.067 1.00 0.90 H new ATOM 1550 N VAL A 95 2.854 5.528 2.265 1.00 0.28 N ATOM 1551 CA VAL A 95 2.104 4.295 2.067 1.00 0.26 C ATOM 1552 C VAL A 95 2.910 3.325 1.210 1.00 0.25 C ATOM 1553 O VAL A 95 2.878 2.132 1.444 1.00 0.26 O ATOM 1554 CB VAL A 95 0.725 4.527 1.415 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.018 3.202 1.251 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.098 5.504 2.242 1.00 0.62 C ATOM 0 H VAL A 95 2.439 6.354 1.834 1.00 0.28 H new ATOM 0 HA VAL A 95 1.929 3.874 3.057 1.00 0.26 H new ATOM 0 HB VAL A 95 0.879 4.959 0.426 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -0.989 3.384 0.790 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.565 2.534 0.618 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.161 2.742 2.229 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.067 5.656 1.767 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.244 5.100 3.244 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.427 6.457 2.308 1.00 0.62 H new ATOM 1566 N LYS A 96 3.637 3.843 0.219 1.00 0.26 N ATOM 1567 CA LYS A 96 4.548 3.020 -0.592 1.00 0.30 C ATOM 1568 C LYS A 96 5.564 2.304 0.295 1.00 0.33 C ATOM 1569 O LYS A 96 6.083 1.246 -0.054 1.00 0.39 O ATOM 1570 CB LYS A 96 5.293 3.877 -1.620 1.00 0.36 C ATOM 1571 CG LYS A 96 4.387 4.579 -2.610 1.00 0.88 C ATOM 1572 CD LYS A 96 3.591 3.586 -3.439 1.00 1.20 C ATOM 1573 CE LYS A 96 4.475 2.787 -4.387 1.00 1.69 C ATOM 1574 NZ LYS A 96 5.247 3.667 -5.307 1.00 2.00 N ATOM 0 H LYS A 96 3.616 4.828 -0.045 1.00 0.26 H new ATOM 0 HA LYS A 96 3.942 2.281 -1.116 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.886 4.624 -1.093 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.991 3.244 -2.168 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.703 5.238 -2.075 1.00 0.88 H new ATOM 0 HG3 LYS A 96 4.985 5.208 -3.269 1.00 0.88 H new ATOM 0 HD2 LYS A 96 3.063 2.902 -2.775 1.00 1.20 H new ATOM 0 HD3 LYS A 96 2.834 4.120 -4.014 1.00 1.20 H new ATOM 0 HE2 LYS A 96 5.165 2.174 -3.808 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.857 2.106 -4.971 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 5.603 3.106 -6.107 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 4.629 4.424 -5.663 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 6.049 4.087 -4.795 1.00 2.00 H new ATOM 1588 N LYS A 97 5.886 2.922 1.411 1.00 0.33 N ATOM 1589 CA LYS A 97 6.745 2.310 2.405 1.00 0.39 C ATOM 1590 C LYS A 97 5.958 1.273 3.206 1.00 0.35 C ATOM 1591 O LYS A 97 6.508 0.279 3.681 1.00 0.45 O ATOM 1592 CB LYS A 97 7.283 3.398 3.331 1.00 0.49 C ATOM 1593 CG LYS A 97 8.113 2.887 4.495 1.00 1.09 C ATOM 1594 CD LYS A 97 7.830 3.701 5.744 1.00 1.89 C ATOM 1595 CE LYS A 97 7.997 5.191 5.484 1.00 2.76 C ATOM 1596 NZ LYS A 97 7.551 6.016 6.634 1.00 3.43 N ATOM 0 H LYS A 97 5.562 3.858 1.655 1.00 0.33 H new ATOM 0 HA LYS A 97 7.578 1.806 1.914 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.890 4.088 2.745 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.442 3.969 3.725 1.00 0.49 H new ATOM 0 HG2 LYS A 97 7.886 1.837 4.678 1.00 1.09 H new ATOM 0 HG3 LYS A 97 9.173 2.945 4.248 1.00 1.09 H new ATOM 0 HD2 LYS A 97 6.815 3.501 6.088 1.00 1.89 H new ATOM 0 HD3 LYS A 97 8.504 3.391 6.543 1.00 1.89 H new ATOM 0 HE2 LYS A 97 9.044 5.405 5.270 1.00 2.76 H new ATOM 0 HE3 LYS A 97 7.427 5.469 4.597 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 6.975 6.810 6.289 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 6.984 5.432 7.281 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 8.382 6.385 7.139 1.00 3.43 H new ATOM 1610 N LEU A 98 4.658 1.510 3.336 1.00 0.30 N ATOM 1611 CA LEU A 98 3.802 0.667 4.159 1.00 0.33 C ATOM 1612 C LEU A 98 3.223 -0.529 3.400 1.00 0.27 C ATOM 1613 O LEU A 98 3.150 -1.620 3.955 1.00 0.35 O ATOM 1614 CB LEU A 98 2.660 1.489 4.753 1.00 0.45 C ATOM 1615 CG LEU A 98 2.729 1.703 6.268 1.00 0.83 C ATOM 1616 CD1 LEU A 98 2.693 0.370 6.997 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.979 2.481 6.643 1.00 1.29 C ATOM 0 H LEU A 98 4.173 2.283 2.880 1.00 0.30 H new ATOM 0 HA LEU A 98 4.437 0.271 4.952 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.643 2.464 4.265 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.717 0.997 4.514 1.00 0.45 H new ATOM 0 HG LEU A 98 1.859 2.285 6.571 1.00 0.83 H new ATOM 0 HD11 LEU A 98 2.743 0.542 8.072 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.767 -0.152 6.756 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.543 -0.237 6.687 1.00 1.70 H new ATOM 0 HD21 LEU A 98 4.009 2.622 7.723 1.00 1.29 H new ATOM 0 HD22 LEU A 98 4.862 1.926 6.325 1.00 1.29 H new ATOM 0 HD23 LEU A 98 3.964 3.453 6.150 1.00 1.29 H new ATOM 1629 N LEU A 99 2.809 -0.334 2.140 1.00 0.21 N ATOM 1630 CA LEU A 99 2.222 -1.420 1.346 1.00 0.22 C ATOM 1631 C LEU A 99 3.226 -2.531 1.002 1.00 0.25 C ATOM 1632 O LEU A 99 2.962 -3.361 0.139 1.00 0.43 O ATOM 1633 CB LEU A 99 1.467 -0.945 0.077 1.00 0.36 C ATOM 1634 CG LEU A 99 2.213 -0.204 -1.037 1.00 0.38 C ATOM 1635 CD1 LEU A 99 1.723 1.223 -1.128 1.00 1.29 C ATOM 1636 CD2 LEU A 99 3.722 -0.274 -0.897 1.00 1.30 C ATOM 0 H LEU A 99 2.870 0.560 1.652 1.00 0.21 H new ATOM 0 HA LEU A 99 1.471 -1.848 2.010 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.008 -1.825 -0.373 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.656 -0.296 0.408 1.00 0.36 H new ATOM 0 HG LEU A 99 1.987 -0.715 -1.973 1.00 0.38 H new ATOM 0 HD11 LEU A 99 2.259 1.742 -1.923 1.00 1.29 H new ATOM 0 HD12 LEU A 99 0.655 1.228 -1.347 1.00 1.29 H new ATOM 0 HD13 LEU A 99 1.901 1.730 -0.180 1.00 1.29 H new ATOM 0 HD21 LEU A 99 4.189 0.271 -1.718 1.00 1.30 H new ATOM 0 HD22 LEU A 99 4.021 0.173 0.051 1.00 1.30 H new ATOM 0 HD23 LEU A 99 4.042 -1.316 -0.924 1.00 1.30 H new ATOM 1648 N VAL A 100 4.347 -2.559 1.700 1.00 0.32 N ATOM 1649 CA VAL A 100 5.283 -3.663 1.595 1.00 0.36 C ATOM 1650 C VAL A 100 4.729 -4.869 2.359 1.00 0.37 C ATOM 1651 O VAL A 100 4.211 -4.719 3.465 1.00 0.45 O ATOM 1652 CB VAL A 100 6.666 -3.263 2.158 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.653 -4.421 2.095 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.212 -2.055 1.408 1.00 1.29 C ATOM 0 H VAL A 100 4.632 -1.825 2.349 1.00 0.32 H new ATOM 0 HA VAL A 100 5.409 -3.924 0.544 1.00 0.36 H new ATOM 0 HB VAL A 100 6.535 -2.999 3.207 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.614 -4.102 2.499 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.271 -5.257 2.682 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.781 -4.734 1.059 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.186 -1.784 1.815 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.315 -2.299 0.351 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.526 -1.216 1.521 1.00 1.29 H new ATOM 1664 N PRO A 101 4.799 -6.075 1.763 1.00 0.39 N ATOM 1665 CA PRO A 101 4.300 -7.320 2.388 1.00 0.49 C ATOM 1666 C PRO A 101 5.107 -7.757 3.602 1.00 0.65 C ATOM 1667 O PRO A 101 4.860 -8.820 4.173 1.00 0.88 O ATOM 1668 CB PRO A 101 4.442 -8.350 1.273 1.00 0.64 C ATOM 1669 CG PRO A 101 5.528 -7.812 0.410 1.00 0.60 C ATOM 1670 CD PRO A 101 5.340 -6.324 0.417 1.00 0.45 C ATOM 0 HA PRO A 101 3.285 -7.192 2.764 1.00 0.49 H new ATOM 0 HB2 PRO A 101 4.699 -9.332 1.670 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.512 -8.464 0.717 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.510 -8.086 0.797 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.461 -8.212 -0.602 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.279 -5.796 0.254 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.652 -5.999 -0.363 1.00 0.45 H new ATOM 1678 N ALA A 102 6.101 -6.954 3.941 1.00 0.68 N ATOM 1679 CA ALA A 102 6.874 -7.100 5.172 1.00 0.92 C ATOM 1680 C ALA A 102 7.858 -8.264 5.107 1.00 1.62 C ATOM 1681 O ALA A 102 8.607 -8.503 6.050 1.00 2.54 O ATOM 1682 CB ALA A 102 5.962 -7.232 6.388 1.00 1.15 C ATOM 0 H ALA A 102 6.402 -6.169 3.363 1.00 0.68 H new ATOM 0 HA ALA A 102 7.461 -6.188 5.279 1.00 0.92 H new ATOM 0 HB1 ALA A 102 6.568 -7.339 7.288 1.00 1.15 H new ATOM 0 HB2 ALA A 102 5.339 -6.342 6.474 1.00 1.15 H new ATOM 0 HB3 ALA A 102 5.326 -8.110 6.272 1.00 1.15 H new ATOM 1688 N ALA A 103 7.861 -8.981 3.993 1.00 1.90 N ATOM 1689 CA ALA A 103 8.817 -10.052 3.795 1.00 2.74 C ATOM 1690 C ALA A 103 10.175 -9.469 3.430 1.00 3.51 C ATOM 1691 O ALA A 103 10.516 -9.360 2.255 1.00 4.17 O ATOM 1692 CB ALA A 103 8.331 -11.019 2.725 1.00 3.15 C ATOM 0 H ALA A 103 7.214 -8.839 3.217 1.00 1.90 H new ATOM 0 HA ALA A 103 8.917 -10.613 4.724 1.00 2.74 H new ATOM 0 HB1 ALA A 103 9.064 -11.815 2.593 1.00 3.15 H new ATOM 0 HB2 ALA A 103 7.378 -11.451 3.031 1.00 3.15 H new ATOM 0 HB3 ALA A 103 8.202 -10.485 1.784 1.00 3.15 H new ATOM 1698 N GLU A 104 10.913 -9.056 4.456 1.00 3.92 N ATOM 1699 CA GLU A 104 12.208 -8.399 4.295 1.00 5.00 C ATOM 1700 C GLU A 104 12.085 -7.098 3.508 1.00 5.52 C ATOM 1701 O GLU A 104 12.150 -7.075 2.277 1.00 5.64 O ATOM 1702 CB GLU A 104 13.241 -9.322 3.643 1.00 5.60 C ATOM 1703 CG GLU A 104 14.603 -8.666 3.482 1.00 6.47 C ATOM 1704 CD GLU A 104 15.648 -9.609 2.939 1.00 7.07 C ATOM 1705 OE1 GLU A 104 15.669 -9.825 1.711 1.00 7.30 O ATOM 1706 OE2 GLU A 104 16.440 -10.147 3.737 1.00 7.55 O ATOM 0 H GLU A 104 10.628 -9.168 5.429 1.00 3.92 H new ATOM 0 HA GLU A 104 12.561 -8.158 5.298 1.00 5.00 H new ATOM 0 HB2 GLU A 104 13.347 -10.224 4.246 1.00 5.60 H new ATOM 0 HB3 GLU A 104 12.876 -9.634 2.665 1.00 5.60 H new ATOM 0 HG2 GLU A 104 14.512 -7.809 2.814 1.00 6.47 H new ATOM 0 HG3 GLU A 104 14.933 -8.283 4.448 1.00 6.47 H new ATOM 1713 N GLY A 105 11.877 -6.023 4.243 1.00 6.19 N ATOM 1714 CA GLY A 105 11.945 -4.693 3.675 1.00 7.00 C ATOM 1715 C GLY A 105 12.994 -3.889 4.398 1.00 7.89 C ATOM 1716 O GLY A 105 12.915 -2.664 4.466 1.00 8.70 O ATOM 0 H GLY A 105 11.659 -6.046 5.239 1.00 6.19 H new ATOM 0 HA2 GLY A 105 12.185 -4.752 2.613 1.00 7.00 H new ATOM 0 HA3 GLY A 105 10.975 -4.202 3.756 1.00 7.00 H new ATOM 1720 N GLU A 106 13.978 -4.633 4.921 1.00 7.96 N ATOM 1721 CA GLU A 106 15.030 -4.148 5.824 1.00 8.97 C ATOM 1722 C GLU A 106 14.452 -3.463 7.070 1.00 9.33 C ATOM 1723 O GLU A 106 13.264 -3.138 7.135 1.00 9.43 O ATOM 1724 CB GLU A 106 16.050 -3.248 5.114 1.00 9.46 C ATOM 1725 CG GLU A 106 15.582 -1.832 4.882 1.00 9.55 C ATOM 1726 CD GLU A 106 16.723 -0.895 4.558 1.00 10.47 C ATOM 1727 OE1 GLU A 106 17.682 -0.810 5.354 1.00 10.99 O ATOM 1728 OE2 GLU A 106 16.673 -0.241 3.497 1.00 10.82 O ATOM 0 H GLU A 106 14.066 -5.629 4.718 1.00 7.96 H new ATOM 0 HA GLU A 106 15.570 -5.034 6.159 1.00 8.97 H new ATOM 0 HB2 GLU A 106 16.966 -3.222 5.705 1.00 9.46 H new ATOM 0 HB3 GLU A 106 16.303 -3.695 4.153 1.00 9.46 H new ATOM 0 HG2 GLU A 106 14.862 -1.820 4.064 1.00 9.55 H new ATOM 0 HG3 GLU A 106 15.062 -1.474 5.770 1.00 9.55 H new ATOM 1735 N ASP A 107 15.314 -3.283 8.070 1.00 9.76 N ATOM 1736 CA ASP A 107 14.917 -2.799 9.398 1.00 10.43 C ATOM 1737 C ASP A 107 13.784 -3.659 9.968 1.00 10.48 C ATOM 1738 O ASP A 107 13.039 -3.247 10.858 1.00 11.15 O ATOM 1739 CB ASP A 107 14.513 -1.323 9.365 1.00 10.67 C ATOM 1740 CG ASP A 107 14.791 -0.618 10.685 1.00 11.41 C ATOM 1741 OD1 ASP A 107 14.276 -1.059 11.734 1.00 11.57 O ATOM 1742 OD2 ASP A 107 15.538 0.385 10.675 1.00 11.98 O ATOM 0 H ASP A 107 16.313 -3.469 7.984 1.00 9.76 H new ATOM 0 HA ASP A 107 15.784 -2.886 10.053 1.00 10.43 H new ATOM 0 HB2 ASP A 107 15.055 -0.818 8.565 1.00 10.67 H new ATOM 0 HB3 ASP A 107 13.451 -1.244 9.130 1.00 10.67 H new ATOM 1747 N SER A 108 13.679 -4.883 9.462 1.00 9.96 N ATOM 1748 CA SER A 108 12.752 -5.857 10.003 1.00 10.24 C ATOM 1749 C SER A 108 13.204 -6.253 11.401 1.00 10.41 C ATOM 1750 O SER A 108 12.458 -6.846 12.178 1.00 11.07 O ATOM 1751 CB SER A 108 12.693 -7.083 9.088 1.00 9.88 C ATOM 1752 OG SER A 108 12.329 -6.705 7.770 1.00 10.00 O ATOM 0 H SER A 108 14.230 -5.221 8.673 1.00 9.96 H new ATOM 0 HA SER A 108 11.753 -5.424 10.061 1.00 10.24 H new ATOM 0 HB2 SER A 108 13.663 -7.581 9.075 1.00 9.88 H new ATOM 0 HB3 SER A 108 11.972 -7.801 9.479 1.00 9.88 H new ATOM 0 HG SER A 108 11.459 -6.254 7.787 1.00 10.00 H new ATOM 1758 N LEU A 109 14.437 -5.889 11.704 1.00 10.02 N ATOM 1759 CA LEU A 109 15.054 -6.207 12.968 1.00 10.41 C ATOM 1760 C LEU A 109 14.527 -5.295 14.074 1.00 11.26 C ATOM 1761 O LEU A 109 14.075 -5.768 15.114 1.00 11.94 O ATOM 1762 CB LEU A 109 16.580 -6.063 12.858 1.00 10.12 C ATOM 1763 CG LEU A 109 17.278 -6.933 11.794 1.00 9.48 C ATOM 1764 CD1 LEU A 109 16.792 -8.372 11.867 1.00 9.47 C ATOM 1765 CD2 LEU A 109 17.088 -6.374 10.385 1.00 9.65 C ATOM 0 H LEU A 109 15.038 -5.361 11.072 1.00 10.02 H new ATOM 0 HA LEU A 109 14.805 -7.238 13.221 1.00 10.41 H new ATOM 0 HB2 LEU A 109 16.810 -5.018 12.649 1.00 10.12 H new ATOM 0 HB3 LEU A 109 17.016 -6.297 13.829 1.00 10.12 H new ATOM 0 HG LEU A 109 18.346 -6.914 12.013 1.00 9.48 H new ATOM 0 HD11 LEU A 109 17.299 -8.966 11.107 1.00 9.47 H new ATOM 0 HD12 LEU A 109 17.012 -8.781 12.853 1.00 9.47 H new ATOM 0 HD13 LEU A 109 15.716 -8.402 11.694 1.00 9.47 H new ATOM 0 HD21 LEU A 109 17.596 -7.018 9.667 1.00 9.65 H new ATOM 0 HD22 LEU A 109 16.025 -6.335 10.149 1.00 9.65 H new ATOM 0 HD23 LEU A 109 17.508 -5.369 10.332 1.00 9.65 H new ATOM 1777 N LYS A 110 14.585 -3.988 13.848 1.00 11.40 N ATOM 1778 CA LYS A 110 14.254 -3.031 14.900 1.00 12.34 C ATOM 1779 C LYS A 110 12.761 -2.704 14.949 1.00 12.93 C ATOM 1780 O LYS A 110 12.067 -3.073 15.898 1.00 13.70 O ATOM 1781 CB LYS A 110 15.059 -1.739 14.722 1.00 12.53 C ATOM 1782 CG LYS A 110 16.560 -1.956 14.608 1.00 12.99 C ATOM 1783 CD LYS A 110 17.094 -2.783 15.764 1.00 13.18 C ATOM 1784 CE LYS A 110 18.604 -2.935 15.693 1.00 13.26 C ATOM 1785 NZ LYS A 110 19.107 -3.893 16.710 1.00 13.83 N ATOM 0 H LYS A 110 14.854 -3.569 12.958 1.00 11.40 H new ATOM 0 HA LYS A 110 14.518 -3.503 15.846 1.00 12.34 H new ATOM 0 HB2 LYS A 110 14.708 -1.225 13.828 1.00 12.53 H new ATOM 0 HB3 LYS A 110 14.861 -1.080 15.567 1.00 12.53 H new ATOM 0 HG2 LYS A 110 16.785 -2.457 13.667 1.00 12.99 H new ATOM 0 HG3 LYS A 110 17.067 -0.991 14.585 1.00 12.99 H new ATOM 0 HD2 LYS A 110 16.819 -2.311 16.707 1.00 13.18 H new ATOM 0 HD3 LYS A 110 16.628 -3.768 15.753 1.00 13.18 H new ATOM 0 HE2 LYS A 110 18.889 -3.277 14.698 1.00 13.26 H new ATOM 0 HE3 LYS A 110 19.075 -1.964 15.843 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 20.141 -3.971 16.632 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 18.856 -3.554 17.661 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 18.676 -4.826 16.551 1.00 13.83 H new ATOM 1799 N LYS A 111 12.257 -2.044 13.911 1.00 12.70 N ATOM 1800 CA LYS A 111 10.908 -1.480 13.967 1.00 13.45 C ATOM 1801 C LYS A 111 9.834 -2.542 13.750 1.00 13.69 C ATOM 1802 O LYS A 111 8.729 -2.434 14.284 1.00 14.58 O ATOM 1803 CB LYS A 111 10.759 -0.330 12.960 1.00 13.35 C ATOM 1804 CG LYS A 111 10.741 -0.759 11.500 1.00 13.65 C ATOM 1805 CD LYS A 111 11.589 0.165 10.635 1.00 14.12 C ATOM 1806 CE LYS A 111 11.158 1.620 10.731 1.00 14.42 C ATOM 1807 NZ LYS A 111 12.169 2.528 10.126 1.00 14.52 N ATOM 0 H LYS A 111 12.751 -1.887 13.033 1.00 12.70 H new ATOM 0 HA LYS A 111 10.763 -1.081 14.971 1.00 13.45 H new ATOM 0 HB2 LYS A 111 9.836 0.208 13.178 1.00 13.35 H new ATOM 0 HB3 LYS A 111 11.579 0.372 13.108 1.00 13.35 H new ATOM 0 HG2 LYS A 111 11.112 -1.780 11.415 1.00 13.65 H new ATOM 0 HG3 LYS A 111 9.715 -0.762 11.133 1.00 13.65 H new ATOM 0 HD2 LYS A 111 12.633 0.079 10.935 1.00 14.12 H new ATOM 0 HD3 LYS A 111 11.528 -0.160 9.596 1.00 14.12 H new ATOM 0 HE2 LYS A 111 10.201 1.751 10.226 1.00 14.42 H new ATOM 0 HE3 LYS A 111 11.006 1.888 11.777 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 11.844 3.513 10.208 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 13.075 2.420 10.624 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 12.295 2.288 9.122 1.00 14.52 H new ATOM 1821 N MET A 112 10.155 -3.577 12.990 1.00 13.03 N ATOM 1822 CA MET A 112 9.197 -4.647 12.747 1.00 13.43 C ATOM 1823 C MET A 112 9.070 -5.561 13.958 1.00 13.93 C ATOM 1824 O MET A 112 8.001 -6.107 14.217 1.00 14.71 O ATOM 1825 CB MET A 112 9.566 -5.446 11.498 1.00 12.78 C ATOM 1826 CG MET A 112 9.056 -4.813 10.212 1.00 12.65 C ATOM 1827 SD MET A 112 9.570 -5.707 8.734 1.00 12.08 S ATOM 1828 CE MET A 112 8.837 -7.313 9.046 1.00 12.60 C ATOM 0 H MET A 112 11.060 -3.700 12.535 1.00 13.03 H new ATOM 0 HA MET A 112 8.225 -4.184 12.575 1.00 13.43 H new ATOM 0 HB2 MET A 112 10.650 -5.543 11.443 1.00 12.78 H new ATOM 0 HB3 MET A 112 9.160 -6.454 11.586 1.00 12.78 H new ATOM 0 HG2 MET A 112 7.967 -4.768 10.243 1.00 12.65 H new ATOM 0 HG3 MET A 112 9.416 -3.786 10.152 1.00 12.65 H new ATOM 0 HE1 MET A 112 8.974 -7.951 8.173 1.00 12.60 H new ATOM 0 HE2 MET A 112 9.319 -7.771 9.910 1.00 12.60 H new ATOM 0 HE3 MET A 112 7.772 -7.194 9.245 1.00 12.60 H new ATOM 1838 N LYS A 113 10.150 -5.716 14.707 1.00 13.65 N ATOM 1839 CA LYS A 113 10.111 -6.517 15.920 1.00 14.28 C ATOM 1840 C LYS A 113 9.347 -5.793 17.030 1.00 15.23 C ATOM 1841 O LYS A 113 8.667 -6.419 17.839 1.00 16.03 O ATOM 1842 CB LYS A 113 11.532 -6.864 16.386 1.00 13.94 C ATOM 1843 CG LYS A 113 11.591 -7.507 17.764 1.00 14.60 C ATOM 1844 CD LYS A 113 10.722 -8.755 17.847 1.00 15.23 C ATOM 1845 CE LYS A 113 10.034 -8.852 19.201 1.00 16.15 C ATOM 1846 NZ LYS A 113 11.003 -9.063 20.309 1.00 16.72 N ATOM 0 H LYS A 113 11.058 -5.301 14.499 1.00 13.65 H new ATOM 0 HA LYS A 113 9.585 -7.444 15.693 1.00 14.28 H new ATOM 0 HB2 LYS A 113 11.986 -7.540 15.661 1.00 13.94 H new ATOM 0 HB3 LYS A 113 12.133 -5.955 16.394 1.00 13.94 H new ATOM 0 HG2 LYS A 113 12.623 -7.767 17.999 1.00 14.60 H new ATOM 0 HG3 LYS A 113 11.265 -6.787 18.515 1.00 14.60 H new ATOM 0 HD2 LYS A 113 9.973 -8.734 17.055 1.00 15.23 H new ATOM 0 HD3 LYS A 113 11.335 -9.641 17.682 1.00 15.23 H new ATOM 0 HE2 LYS A 113 9.467 -7.939 19.385 1.00 16.15 H new ATOM 0 HE3 LYS A 113 9.318 -9.674 19.185 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 10.490 -9.123 21.212 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 11.527 -9.947 20.149 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 11.671 -8.266 20.342 1.00 16.72 H new ATOM 1860 N LEU A 114 9.453 -4.476 17.072 1.00 15.27 N ATOM 1861 CA LEU A 114 8.817 -3.718 18.126 1.00 16.25 C ATOM 1862 C LEU A 114 7.384 -3.318 17.767 1.00 16.89 C ATOM 1863 O LEU A 114 6.437 -3.655 18.479 1.00 17.72 O ATOM 1864 CB LEU A 114 9.642 -2.472 18.429 1.00 16.24 C ATOM 1865 CG LEU A 114 9.179 -1.681 19.645 1.00 16.63 C ATOM 1866 CD1 LEU A 114 9.283 -2.539 20.894 1.00 17.08 C ATOM 1867 CD2 LEU A 114 9.999 -0.412 19.791 1.00 16.95 C ATOM 0 H LEU A 114 9.970 -3.917 16.393 1.00 15.27 H new ATOM 0 HA LEU A 114 8.765 -4.357 19.008 1.00 16.25 H new ATOM 0 HB2 LEU A 114 10.680 -2.768 18.579 1.00 16.24 H new ATOM 0 HB3 LEU A 114 9.620 -1.818 17.557 1.00 16.24 H new ATOM 0 HG LEU A 114 8.136 -1.397 19.508 1.00 16.63 H new ATOM 0 HD11 LEU A 114 8.950 -1.965 21.759 1.00 17.08 H new ATOM 0 HD12 LEU A 114 8.655 -3.423 20.782 1.00 17.08 H new ATOM 0 HD13 LEU A 114 10.319 -2.846 21.039 1.00 17.08 H new ATOM 0 HD21 LEU A 114 9.657 0.144 20.664 1.00 16.95 H new ATOM 0 HD22 LEU A 114 11.051 -0.671 19.914 1.00 16.95 H new ATOM 0 HD23 LEU A 114 9.879 0.203 18.899 1.00 16.95 H new ATOM 1879 N MET A 115 7.227 -2.599 16.662 1.00 16.60 N ATOM 1880 CA MET A 115 5.930 -2.040 16.299 1.00 17.37 C ATOM 1881 C MET A 115 5.120 -3.015 15.453 1.00 17.30 C ATOM 1882 O MET A 115 3.973 -3.324 15.782 1.00 18.16 O ATOM 1883 CB MET A 115 6.111 -0.715 15.551 1.00 17.40 C ATOM 1884 CG MET A 115 4.797 -0.042 15.178 1.00 18.36 C ATOM 1885 SD MET A 115 5.031 1.563 14.380 1.00 18.37 S ATOM 1886 CE MET A 115 5.939 1.080 12.911 1.00 17.17 C ATOM 0 H MET A 115 7.978 -2.390 16.004 1.00 16.60 H new ATOM 0 HA MET A 115 5.378 -1.856 17.221 1.00 17.37 H new ATOM 0 HB2 MET A 115 6.695 -0.034 16.170 1.00 17.40 H new ATOM 0 HB3 MET A 115 6.688 -0.895 14.644 1.00 17.40 H new ATOM 0 HG2 MET A 115 4.236 -0.696 14.510 1.00 18.36 H new ATOM 0 HG3 MET A 115 4.194 0.089 16.076 1.00 18.36 H new ATOM 0 HE1 MET A 115 6.972 1.418 12.994 1.00 17.17 H new ATOM 0 HE2 MET A 115 5.919 -0.005 12.811 1.00 17.17 H new ATOM 0 HE3 MET A 115 5.479 1.533 12.033 1.00 17.17 H new ATOM 1896 N GLU A 116 5.726 -3.520 14.381 1.00 16.38 N ATOM 1897 CA GLU A 116 5.029 -4.408 13.452 1.00 16.41 C ATOM 1898 C GLU A 116 4.663 -5.744 14.094 1.00 16.77 C ATOM 1899 O GLU A 116 3.887 -6.521 13.536 1.00 17.19 O ATOM 1900 CB GLU A 116 5.869 -4.640 12.202 1.00 15.41 C ATOM 1901 CG GLU A 116 6.150 -3.365 11.431 1.00 15.12 C ATOM 1902 CD GLU A 116 4.881 -2.636 11.039 1.00 15.91 C ATOM 1903 OE1 GLU A 116 3.907 -3.305 10.641 1.00 16.27 O ATOM 1904 OE2 GLU A 116 4.861 -1.387 11.107 1.00 16.29 O ATOM 0 H GLU A 116 6.697 -3.330 14.134 1.00 16.38 H new ATOM 0 HA GLU A 116 4.099 -3.912 13.174 1.00 16.41 H new ATOM 0 HB2 GLU A 116 6.815 -5.101 12.487 1.00 15.41 H new ATOM 0 HB3 GLU A 116 5.354 -5.346 11.551 1.00 15.41 H new ATOM 0 HG2 GLU A 116 6.772 -2.706 12.037 1.00 15.12 H new ATOM 0 HG3 GLU A 116 6.720 -3.604 10.534 1.00 15.12 H new ATOM 1911 N LEU A 117 5.229 -6.008 15.264 1.00 16.72 N ATOM 1912 CA LEU A 117 4.931 -7.227 16.008 1.00 17.21 C ATOM 1913 C LEU A 117 3.472 -7.212 16.470 1.00 18.39 C ATOM 1914 O LEU A 117 2.898 -8.258 16.772 1.00 18.98 O ATOM 1915 CB LEU A 117 5.877 -7.348 17.210 1.00 17.03 C ATOM 1916 CG LEU A 117 6.447 -8.750 17.488 1.00 17.18 C ATOM 1917 CD1 LEU A 117 5.368 -9.692 17.997 1.00 18.26 C ATOM 1918 CD2 LEU A 117 7.092 -9.323 16.235 1.00 16.60 C ATOM 0 H LEU A 117 5.901 -5.391 15.721 1.00 16.72 H new ATOM 0 HA LEU A 117 5.080 -8.091 15.360 1.00 17.21 H new ATOM 0 HB2 LEU A 117 6.711 -6.663 17.060 1.00 17.03 H new ATOM 0 HB3 LEU A 117 5.345 -7.012 18.100 1.00 17.03 H new ATOM 0 HG LEU A 117 7.207 -8.651 18.263 1.00 17.18 H new ATOM 0 HD11 LEU A 117 5.801 -10.674 18.184 1.00 18.26 H new ATOM 0 HD12 LEU A 117 4.948 -9.298 18.923 1.00 18.26 H new ATOM 0 HD13 LEU A 117 4.580 -9.780 17.250 1.00 18.26 H new ATOM 0 HD21 LEU A 117 7.489 -10.315 16.451 1.00 16.60 H new ATOM 0 HD22 LEU A 117 6.347 -9.395 15.443 1.00 16.60 H new ATOM 0 HD23 LEU A 117 7.903 -8.670 15.912 1.00 16.60 H new ATOM 1930 N ALA A 118 2.892 -6.009 16.530 1.00 18.81 N ATOM 1931 CA ALA A 118 1.477 -5.827 16.863 1.00 19.94 C ATOM 1932 C ALA A 118 1.204 -6.222 18.304 1.00 20.25 C ATOM 1933 O ALA A 118 0.100 -6.642 18.652 1.00 20.88 O ATOM 1934 CB ALA A 118 0.588 -6.613 15.904 1.00 20.42 C ATOM 0 H ALA A 118 3.389 -5.137 16.350 1.00 18.81 H new ATOM 0 HA ALA A 118 1.238 -4.769 16.754 1.00 19.94 H new ATOM 0 HB1 ALA A 118 -0.458 -6.462 16.171 1.00 20.42 H new ATOM 0 HB2 ALA A 118 0.756 -6.265 14.885 1.00 20.42 H new ATOM 0 HB3 ALA A 118 0.830 -7.674 15.970 1.00 20.42 H new ATOM 1940 N ILE A 119 2.219 -6.071 19.140 1.00 19.90 N ATOM 1941 CA ILE A 119 2.098 -6.370 20.556 1.00 20.25 C ATOM 1942 C ILE A 119 1.108 -5.429 21.235 1.00 21.12 C ATOM 1943 O ILE A 119 0.778 -4.364 20.702 1.00 21.13 O ATOM 1944 CB ILE A 119 3.472 -6.318 21.277 1.00 20.40 C ATOM 1945 CG1 ILE A 119 4.275 -5.057 20.909 1.00 20.16 C ATOM 1946 CG2 ILE A 119 4.279 -7.569 20.968 1.00 20.03 C ATOM 1947 CD1 ILE A 119 3.834 -3.803 21.638 1.00 20.59 C ATOM 0 H ILE A 119 3.142 -5.741 18.858 1.00 19.90 H new ATOM 0 HA ILE A 119 1.718 -7.389 20.634 1.00 20.25 H new ATOM 0 HB ILE A 119 3.274 -6.274 22.348 1.00 20.40 H new ATOM 0 HG12 ILE A 119 5.329 -5.236 21.123 1.00 20.16 H new ATOM 0 HG13 ILE A 119 4.192 -4.888 19.835 1.00 20.16 H new ATOM 0 HG21 ILE A 119 5.240 -7.518 21.480 1.00 20.03 H new ATOM 0 HG22 ILE A 119 3.732 -8.448 21.309 1.00 20.03 H new ATOM 0 HG23 ILE A 119 4.445 -7.639 19.893 1.00 20.03 H new ATOM 0 HD11 ILE A 119 4.451 -2.962 21.321 1.00 20.59 H new ATOM 0 HD12 ILE A 119 2.790 -3.595 21.405 1.00 20.59 H new ATOM 0 HD13 ILE A 119 3.944 -3.949 22.713 1.00 20.59 H new ATOM 1959 N LEU A 120 0.631 -5.827 22.403 1.00 21.92 N ATOM 1960 CA LEU A 120 -0.326 -5.024 23.146 1.00 22.85 C ATOM 1961 C LEU A 120 0.368 -3.837 23.804 1.00 23.12 C ATOM 1962 O LEU A 120 0.933 -3.952 24.893 1.00 23.32 O ATOM 1963 CB LEU A 120 -1.065 -5.868 24.196 1.00 23.66 C ATOM 1964 CG LEU A 120 -2.221 -6.729 23.664 1.00 23.95 C ATOM 1965 CD1 LEU A 120 -3.277 -5.857 23.010 1.00 23.98 C ATOM 1966 CD2 LEU A 120 -1.720 -7.781 22.684 1.00 23.52 C ATOM 0 H LEU A 120 0.891 -6.702 22.857 1.00 21.92 H new ATOM 0 HA LEU A 120 -1.066 -4.646 22.440 1.00 22.85 H new ATOM 0 HB2 LEU A 120 -0.343 -6.523 24.683 1.00 23.66 H new ATOM 0 HB3 LEU A 120 -1.457 -5.200 24.963 1.00 23.66 H new ATOM 0 HG LEU A 120 -2.670 -7.246 24.512 1.00 23.95 H new ATOM 0 HD11 LEU A 120 -4.088 -6.484 22.639 1.00 23.98 H new ATOM 0 HD12 LEU A 120 -3.670 -5.151 23.741 1.00 23.98 H new ATOM 0 HD13 LEU A 120 -2.833 -5.309 22.179 1.00 23.98 H new ATOM 0 HD21 LEU A 120 -2.561 -8.374 22.325 1.00 23.52 H new ATOM 0 HD22 LEU A 120 -1.236 -7.290 21.840 1.00 23.52 H new ATOM 0 HD23 LEU A 120 -1.004 -8.433 23.184 1.00 23.52 H new ATOM 1978 N ASN A 121 0.346 -2.708 23.112 1.00 23.21 N ATOM 1979 CA ASN A 121 0.960 -1.486 23.608 1.00 23.56 C ATOM 1980 C ASN A 121 -0.064 -0.656 24.380 1.00 24.31 C ATOM 1981 O ASN A 121 -0.004 -0.573 25.605 1.00 24.76 O ATOM 1982 CB ASN A 121 1.582 -0.683 22.449 1.00 23.18 C ATOM 1983 CG ASN A 121 0.647 -0.515 21.260 1.00 23.09 C ATOM 1984 OD1 ASN A 121 -0.118 0.444 21.186 1.00 23.47 O ATOM 1985 ND2 ASN A 121 0.697 -1.450 20.324 1.00 22.69 N ATOM 0 H ASN A 121 -0.095 -2.613 22.197 1.00 23.21 H new ATOM 0 HA ASN A 121 1.765 -1.748 24.295 1.00 23.56 H new ATOM 0 HB2 ASN A 121 1.874 0.302 22.814 1.00 23.18 H new ATOM 0 HB3 ASN A 121 2.492 -1.183 22.118 1.00 23.18 H new ATOM 0 HD21 ASN A 121 0.088 -1.388 19.508 1.00 22.69 H new ATOM 0 HD22 ASN A 121 1.345 -2.232 20.419 1.00 22.69 H new ATOM 1992 N GLY A 122 -0.998 -0.054 23.661 1.00 24.55 N ATOM 1993 CA GLY A 122 -2.067 0.689 24.289 1.00 25.33 C ATOM 1994 C GLY A 122 -3.255 0.851 23.366 1.00 25.47 C ATOM 1995 O GLY A 122 -4.124 1.688 23.603 1.00 26.12 O ATOM 0 H GLY A 122 -1.033 -0.068 22.642 1.00 24.55 H new ATOM 0 HA2 GLY A 122 -2.380 0.177 25.199 1.00 25.33 H new ATOM 0 HA3 GLY A 122 -1.701 1.672 24.587 1.00 25.33 H new ATOM 1999 N THR A 123 -3.291 0.054 22.304 1.00 24.93 N ATOM 2000 CA THR A 123 -4.379 0.116 21.344 1.00 25.12 C ATOM 2001 C THR A 123 -5.583 -0.673 21.848 1.00 25.36 C ATOM 2002 O THR A 123 -6.698 -0.154 21.922 1.00 25.90 O ATOM 2003 CB THR A 123 -3.933 -0.446 19.980 1.00 24.51 C ATOM 2004 OG1 THR A 123 -2.668 0.117 19.616 1.00 24.32 O ATOM 2005 CG2 THR A 123 -4.959 -0.139 18.901 1.00 24.86 C ATOM 0 H THR A 123 -2.577 -0.642 22.089 1.00 24.93 H new ATOM 0 HA THR A 123 -4.661 1.162 21.224 1.00 25.12 H new ATOM 0 HB THR A 123 -3.842 -1.529 20.069 1.00 24.51 H new ATOM 0 HG1 THR A 123 -2.010 -0.078 20.315 1.00 24.32 H new ATOM 0 HG21 THR A 123 -4.619 -0.547 17.949 1.00 24.86 H new ATOM 0 HG22 THR A 123 -5.914 -0.590 19.169 1.00 24.86 H new ATOM 0 HG23 THR A 123 -5.080 0.940 18.811 1.00 24.86 H new ATOM 2013 N TYR A 124 -5.345 -1.928 22.203 1.00 25.05 N ATOM 2014 CA TYR A 124 -6.397 -2.795 22.710 1.00 25.37 C ATOM 2015 C TYR A 124 -6.213 -3.022 24.204 1.00 25.65 C ATOM 2016 O TYR A 124 -5.156 -3.477 24.645 1.00 25.59 O ATOM 2017 CB TYR A 124 -6.385 -4.143 21.987 1.00 25.19 C ATOM 2018 CG TYR A 124 -6.614 -4.067 20.490 1.00 25.19 C ATOM 2019 CD1 TYR A 124 -7.898 -4.100 19.958 1.00 25.09 C ATOM 2020 CD2 TYR A 124 -5.542 -3.982 19.610 1.00 25.38 C ATOM 2021 CE1 TYR A 124 -8.105 -4.053 18.591 1.00 25.20 C ATOM 2022 CE2 TYR A 124 -5.741 -3.929 18.244 1.00 25.49 C ATOM 2023 CZ TYR A 124 -7.024 -3.966 17.739 1.00 25.41 C ATOM 2024 OH TYR A 124 -7.224 -3.921 16.375 1.00 25.62 O ATOM 0 H TYR A 124 -4.427 -2.369 22.148 1.00 25.05 H new ATOM 0 HA TYR A 124 -7.355 -2.307 22.530 1.00 25.37 H new ATOM 0 HB2 TYR A 124 -5.426 -4.628 22.169 1.00 25.19 H new ATOM 0 HB3 TYR A 124 -7.153 -4.781 22.425 1.00 25.19 H new ATOM 0 HD1 TYR A 124 -8.747 -4.163 20.622 1.00 25.09 H new ATOM 0 HD2 TYR A 124 -4.536 -3.957 20.001 1.00 25.38 H new ATOM 0 HE1 TYR A 124 -9.108 -4.084 18.193 1.00 25.20 H new ATOM 0 HE2 TYR A 124 -4.896 -3.859 17.575 1.00 25.49 H new ATOM 0 HH TYR A 124 -6.359 -3.859 15.919 1.00 25.62 H new ATOM 2034 N ARG A 125 -7.238 -2.699 24.973 1.00 26.04 N ATOM 2035 CA ARG A 125 -7.217 -2.891 26.414 1.00 26.48 C ATOM 2036 C ARG A 125 -7.749 -4.276 26.762 1.00 26.87 C ATOM 2037 O ARG A 125 -7.372 -4.875 27.770 1.00 27.16 O ATOM 2038 CB ARG A 125 -8.073 -1.811 27.087 1.00 27.04 C ATOM 2039 CG ARG A 125 -8.104 -1.870 28.611 1.00 27.29 C ATOM 2040 CD ARG A 125 -6.739 -1.586 29.223 1.00 27.33 C ATOM 2041 NE ARG A 125 -5.861 -2.755 29.200 1.00 27.77 N ATOM 2042 CZ ARG A 125 -4.576 -2.717 28.854 1.00 27.96 C ATOM 2043 NH1 ARG A 125 -4.032 -1.591 28.414 1.00 27.74 N ATOM 2044 NH2 ARG A 125 -3.840 -3.818 28.932 1.00 28.45 N ATOM 0 H ARG A 125 -8.106 -2.297 24.618 1.00 26.04 H new ATOM 0 HA ARG A 125 -6.191 -2.810 26.774 1.00 26.48 H new ATOM 0 HB2 ARG A 125 -7.701 -0.832 26.784 1.00 27.04 H new ATOM 0 HB3 ARG A 125 -9.094 -1.893 26.714 1.00 27.04 H new ATOM 0 HG2 ARG A 125 -8.827 -1.146 28.987 1.00 27.29 H new ATOM 0 HG3 ARG A 125 -8.445 -2.855 28.928 1.00 27.29 H new ATOM 0 HD2 ARG A 125 -6.264 -0.768 28.681 1.00 27.33 H new ATOM 0 HD3 ARG A 125 -6.868 -1.253 30.253 1.00 27.33 H new ATOM 0 HE ARG A 125 -6.258 -3.656 29.466 1.00 27.77 H new ATOM 0 HH11 ARG A 125 -4.599 -0.746 28.339 1.00 27.74 H new ATOM 0 HH12 ARG A 125 -3.047 -1.569 28.151 1.00 27.74 H new ATOM 0 HH21 ARG A 125 -4.259 -4.690 29.256 1.00 28.45 H new ATOM 0 HH22 ARG A 125 -2.855 -3.793 28.668 1.00 28.45 H new ATOM 2058 N ASP A 126 -8.609 -4.785 25.896 1.00 26.97 N ATOM 2059 CA ASP A 126 -9.311 -6.033 26.132 1.00 27.44 C ATOM 2060 C ASP A 126 -8.621 -7.213 25.452 1.00 27.02 C ATOM 2061 O ASP A 126 -8.703 -8.346 25.930 1.00 27.36 O ATOM 2062 CB ASP A 126 -10.754 -5.901 25.640 1.00 27.72 C ATOM 2063 CG ASP A 126 -10.857 -5.541 24.163 1.00 27.85 C ATOM 2064 OD1 ASP A 126 -9.935 -4.879 23.646 1.00 28.27 O ATOM 2065 OD2 ASP A 126 -11.841 -5.947 23.505 1.00 27.59 O ATOM 0 H ASP A 126 -8.840 -4.342 25.007 1.00 26.97 H new ATOM 0 HA ASP A 126 -9.303 -6.233 27.203 1.00 27.44 H new ATOM 0 HB2 ASP A 126 -11.278 -6.841 25.815 1.00 27.72 H new ATOM 0 HB3 ASP A 126 -11.263 -5.138 26.229 1.00 27.72 H new ATOM 2070 N ALA A 127 -7.924 -6.949 24.349 1.00 26.35 N ATOM 2071 CA ALA A 127 -7.151 -7.985 23.665 1.00 25.95 C ATOM 2072 C ALA A 127 -5.948 -8.401 24.507 1.00 25.77 C ATOM 2073 O ALA A 127 -5.165 -9.269 24.125 1.00 25.47 O ATOM 2074 CB ALA A 127 -6.706 -7.506 22.294 1.00 25.25 C ATOM 0 H ALA A 127 -7.878 -6.029 23.910 1.00 26.35 H new ATOM 0 HA ALA A 127 -7.792 -8.856 23.530 1.00 25.95 H new ATOM 0 HB1 ALA A 127 -6.133 -8.292 21.802 1.00 25.25 H new ATOM 0 HB2 ALA A 127 -7.581 -7.264 21.691 1.00 25.25 H new ATOM 0 HB3 ALA A 127 -6.084 -6.617 22.403 1.00 25.25 H new ATOM 2080 N ASN A 128 -5.808 -7.750 25.654 1.00 26.04 N ATOM 2081 CA ASN A 128 -4.815 -8.127 26.646 1.00 26.08 C ATOM 2082 C ASN A 128 -5.185 -9.471 27.263 1.00 26.74 C ATOM 2083 O ASN A 128 -4.317 -10.270 27.619 1.00 26.73 O ATOM 2084 CB ASN A 128 -4.748 -7.055 27.736 1.00 26.34 C ATOM 2085 CG ASN A 128 -3.843 -7.447 28.894 1.00 26.63 C ATOM 2086 OD1 ASN A 128 -4.282 -8.090 29.849 1.00 26.61 O ATOM 2087 ND2 ASN A 128 -2.584 -7.038 28.832 1.00 27.01 N ATOM 0 H ASN A 128 -6.379 -6.948 25.921 1.00 26.04 H new ATOM 0 HA ASN A 128 -3.840 -8.214 26.166 1.00 26.08 H new ATOM 0 HB2 ASN A 128 -4.389 -6.122 27.300 1.00 26.34 H new ATOM 0 HB3 ASN A 128 -5.752 -6.865 28.114 1.00 26.34 H new ATOM 0 HD21 ASN A 128 -1.940 -7.254 29.593 1.00 27.01 H new ATOM 0 HD22 ASN A 128 -2.259 -6.508 28.023 1.00 27.01 H new ATOM 2094 N LEU A 129 -6.486 -9.710 27.380 1.00 27.38 N ATOM 2095 CA LEU A 129 -6.990 -10.930 27.990 1.00 28.13 C ATOM 2096 C LEU A 129 -7.348 -11.963 26.928 1.00 28.06 C ATOM 2097 O LEU A 129 -6.929 -13.118 27.004 1.00 28.19 O ATOM 2098 CB LEU A 129 -8.218 -10.619 28.852 1.00 28.95 C ATOM 2099 CG LEU A 129 -8.850 -11.818 29.563 1.00 29.65 C ATOM 2100 CD1 LEU A 129 -7.866 -12.455 30.528 1.00 30.01 C ATOM 2101 CD2 LEU A 129 -10.112 -11.393 30.292 1.00 30.08 C ATOM 0 H LEU A 129 -7.212 -9.070 27.058 1.00 27.38 H new ATOM 0 HA LEU A 129 -6.204 -11.345 28.621 1.00 28.13 H new ATOM 0 HB2 LEU A 129 -7.934 -9.882 29.604 1.00 28.95 H new ATOM 0 HB3 LEU A 129 -8.975 -10.154 28.220 1.00 28.95 H new ATOM 0 HG LEU A 129 -9.115 -12.561 28.811 1.00 29.65 H new ATOM 0 HD11 LEU A 129 -8.338 -13.305 31.021 1.00 30.01 H new ATOM 0 HD12 LEU A 129 -6.988 -12.796 29.980 1.00 30.01 H new ATOM 0 HD13 LEU A 129 -7.565 -11.722 31.277 1.00 30.01 H new ATOM 0 HD21 LEU A 129 -10.551 -12.256 30.793 1.00 30.08 H new ATOM 0 HD22 LEU A 129 -9.866 -10.631 31.031 1.00 30.08 H new ATOM 0 HD23 LEU A 129 -10.827 -10.987 29.576 1.00 30.08 H new ATOM 2113 N LYS A 130 -8.117 -11.544 25.933 1.00 27.93 N ATOM 2114 CA LYS A 130 -8.572 -12.452 24.894 1.00 27.96 C ATOM 2115 C LYS A 130 -7.581 -12.505 23.736 1.00 28.18 C ATOM 2116 O LYS A 130 -7.077 -11.478 23.282 1.00 28.19 O ATOM 2117 CB LYS A 130 -9.962 -12.042 24.395 1.00 27.75 C ATOM 2118 CG LYS A 130 -10.022 -10.639 23.814 1.00 27.52 C ATOM 2119 CD LYS A 130 -11.441 -10.257 23.434 1.00 27.65 C ATOM 2120 CE LYS A 130 -11.503 -8.850 22.866 1.00 28.04 C ATOM 2121 NZ LYS A 130 -12.902 -8.405 22.655 1.00 28.17 N ATOM 0 H LYS A 130 -8.438 -10.582 25.825 1.00 27.93 H new ATOM 0 HA LYS A 130 -8.637 -13.451 25.325 1.00 27.96 H new ATOM 0 HB2 LYS A 130 -10.288 -12.753 23.636 1.00 27.75 H new ATOM 0 HB3 LYS A 130 -10.669 -12.112 25.222 1.00 27.75 H new ATOM 0 HG2 LYS A 130 -9.634 -9.926 24.541 1.00 27.52 H new ATOM 0 HG3 LYS A 130 -9.380 -10.580 22.935 1.00 27.52 H new ATOM 0 HD2 LYS A 130 -11.826 -10.965 22.700 1.00 27.65 H new ATOM 0 HD3 LYS A 130 -12.085 -10.326 24.311 1.00 27.65 H new ATOM 0 HE2 LYS A 130 -11.000 -8.161 23.545 1.00 28.04 H new ATOM 0 HE3 LYS A 130 -10.963 -8.815 21.920 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 -12.986 -7.397 22.898 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 -13.164 -8.544 21.658 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 -13.538 -8.962 23.261 1.00 28.17 H new ATOM 2135 N SER A 131 -7.296 -13.708 23.274 1.00 28.45 N ATOM 2136 CA SER A 131 -6.393 -13.899 22.154 1.00 28.77 C ATOM 2137 C SER A 131 -7.163 -13.907 20.835 1.00 28.91 C ATOM 2138 O SER A 131 -7.990 -14.788 20.602 1.00 29.19 O ATOM 2139 CB SER A 131 -5.634 -15.215 22.318 1.00 29.25 C ATOM 2140 OG SER A 131 -4.909 -15.242 23.537 1.00 29.23 O ATOM 0 H SER A 131 -7.679 -14.572 23.659 1.00 28.45 H new ATOM 0 HA SER A 131 -5.684 -13.071 22.137 1.00 28.77 H new ATOM 0 HB2 SER A 131 -6.336 -16.048 22.291 1.00 29.25 H new ATOM 0 HB3 SER A 131 -4.948 -15.349 21.481 1.00 29.25 H new ATOM 0 HG SER A 131 -4.434 -16.096 23.617 1.00 29.23 H new ATOM 2146 N PRO A 132 -6.911 -12.917 19.964 1.00 28.80 N ATOM 2147 CA PRO A 132 -7.543 -12.850 18.642 1.00 29.01 C ATOM 2148 C PRO A 132 -7.114 -14.016 17.756 1.00 29.52 C ATOM 2149 O PRO A 132 -7.942 -14.787 17.271 1.00 29.70 O ATOM 2150 CB PRO A 132 -7.041 -11.516 18.061 1.00 28.82 C ATOM 2151 CG PRO A 132 -6.514 -10.750 19.229 1.00 28.49 C ATOM 2152 CD PRO A 132 -6.012 -11.777 20.203 1.00 28.57 C ATOM 0 HA PRO A 132 -8.630 -12.910 18.701 1.00 29.01 H new ATOM 0 HB2 PRO A 132 -6.263 -11.680 17.315 1.00 28.82 H new ATOM 0 HB3 PRO A 132 -7.847 -10.974 17.567 1.00 28.82 H new ATOM 0 HG2 PRO A 132 -5.713 -10.076 18.925 1.00 28.49 H new ATOM 0 HG3 PRO A 132 -7.295 -10.135 19.677 1.00 28.49 H new ATOM 0 HD2 PRO A 132 -4.970 -12.037 20.016 1.00 28.57 H new ATOM 0 HD3 PRO A 132 -6.072 -11.423 21.232 1.00 28.57 H new ATOM 2160 N ALA A 133 -5.809 -14.137 17.563 1.00 29.82 N ATOM 2161 CA ALA A 133 -5.232 -15.233 16.800 1.00 30.39 C ATOM 2162 C ALA A 133 -3.800 -15.478 17.259 1.00 30.54 C ATOM 2163 O ALA A 133 -3.018 -16.141 16.581 1.00 30.82 O ATOM 2164 CB ALA A 133 -5.271 -14.919 15.310 1.00 30.73 C ATOM 0 H ALA A 133 -5.121 -13.479 17.930 1.00 29.82 H new ATOM 0 HA ALA A 133 -5.817 -16.136 16.972 1.00 30.39 H new ATOM 0 HB1 ALA A 133 -4.836 -15.748 14.752 1.00 30.73 H new ATOM 0 HB2 ALA A 133 -6.304 -14.773 14.996 1.00 30.73 H new ATOM 0 HB3 ALA A 133 -4.701 -14.011 15.114 1.00 30.73 H new ATOM 2170 N LEU A 134 -3.477 -14.949 18.433 1.00 30.43 N ATOM 2171 CA LEU A 134 -2.120 -15.005 18.954 1.00 30.66 C ATOM 2172 C LEU A 134 -2.052 -15.936 20.158 1.00 30.82 C ATOM 2173 O LEU A 134 -2.219 -15.448 21.298 1.00 31.05 O ATOM 2174 CB LEU A 134 -1.659 -13.602 19.357 1.00 30.92 C ATOM 2175 CG LEU A 134 -1.816 -12.531 18.276 1.00 30.78 C ATOM 2176 CD1 LEU A 134 -1.469 -11.163 18.834 1.00 31.20 C ATOM 2177 CD2 LEU A 134 -0.944 -12.848 17.070 1.00 30.60 C ATOM 0 H LEU A 134 -4.142 -14.474 19.044 1.00 30.43 H new ATOM 0 HA LEU A 134 -1.462 -15.390 18.175 1.00 30.66 H new ATOM 0 HB2 LEU A 134 -2.220 -13.291 20.238 1.00 30.92 H new ATOM 0 HB3 LEU A 134 -0.610 -13.651 19.648 1.00 30.92 H new ATOM 0 HG LEU A 134 -2.857 -12.523 17.952 1.00 30.78 H new ATOM 0 HD11 LEU A 134 -1.585 -10.411 18.053 1.00 31.20 H new ATOM 0 HD12 LEU A 134 -2.135 -10.929 19.665 1.00 31.20 H new ATOM 0 HD13 LEU A 134 -0.437 -11.164 19.185 1.00 31.20 H new ATOM 0 HD21 LEU A 134 -1.072 -12.073 16.314 1.00 30.60 H new ATOM 0 HD22 LEU A 134 0.101 -12.886 17.377 1.00 30.60 H new ATOM 0 HD23 LEU A 134 -1.236 -13.812 16.654 1.00 30.60 H new ATOM 2189 N HIS A 135 -1.858 -17.152 19.963 1.00 30.79 N TER 2190 HIS A 135