USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1230 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 106 GLN : amide:sc= -0.281 K(o=-0.18,f=-2.3) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -168:sc= 0.1 (180deg=-0.0125) USER MOD Set 2.1: A 95 SER OG : rot -20:sc= 0.68 USER MOD Set 2.2: A 115 HIS : no HE2:sc= -9.95! C(o=-9.3!,f=-19!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ 137:sc= 0.496 (180deg=0) USER MOD Set 3.2: A 76 THR OG1 : rot -84:sc= 1.66 USER MOD Set 4.1: A 63 HIS : no HD1:sc= -9.95! C(o=-9.8!,f=-8.5!) USER MOD Set 4.2: A 64 THR OG1 : rot 47:sc= 0.165 USER MOD Set 5.1: A 33 ASN : amide:sc= 0.247 K(o=0.081,f=-4.2!) USER MOD Set 5.2: A 84 ASN : amide:sc= -0.166 K(o=0.081,f=-2.6) USER MOD Single : A 1 ASN : amide:sc=-0.00294 X(o=-0.0029,f=-0.0029) USER MOD Single : A 1 ASN N :NH3+ -178:sc= 0 (180deg=-0.00362) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-11!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= -0.275 (180deg=-0.292) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 155:sc= 1.28 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.109) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.373 USER MOD Single : A 34 ASN : amide:sc= 1.37! C(o=1.4!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -1:sc= 0.99 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.88 (180deg=1.62) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.13) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0.963 (180deg=0.933) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.06! C(o=-4.1!,f=-0.81!) USER MOD Single : A 93 ASN : amide:sc= -0.204 K(o=-0.2,f=-4.1!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -8:sc= 0.468 USER MOD Single : A 116 THR OG1 : rot 30:sc= 0.614 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -74:sc= 0.539 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HE2:sc= -0.764 K(o=-0.76,f=-1.8!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.068 X(o=-0.068,f=-0.28) USER MOD Single : A 133 MET CE :methyl -135:sc= 0 (180deg=-2.68!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 97:sc= 0.0129 USER MOD Single : A 142 GLN : amide:sc= -4.84! K(o=-4.8!,f=-0.15) USER MOD Single : A 143 SER OG : rot 95:sc= -2.56! USER MOD Single : A 145 GLN : amide:sc= 0.109 K(o=0.11,f=-3.3!) USER MOD Single : A 147 LYS NZ :NH3+ 152:sc= 1.71 (180deg=0.688) USER MOD Single : A 154 LYS NZ :NH3+ -158:sc= 2.35 (180deg=0.622) USER MOD Single : A 155 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0137) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.522 10.707 -6.976 1.00 1.65 N ATOM 2 CA ASN A 1 6.353 11.528 -5.753 1.00 1.32 C ATOM 3 C ASN A 1 7.605 11.469 -4.899 1.00 1.24 C ATOM 4 O ASN A 1 8.080 10.380 -4.587 1.00 1.61 O ATOM 5 CB ASN A 1 5.167 11.045 -4.912 1.00 1.23 C ATOM 6 CG ASN A 1 3.836 11.169 -5.619 1.00 1.26 C ATOM 7 OD1 ASN A 1 3.248 12.249 -5.678 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.325 10.054 -6.108 1.00 1.42 N ATOM 0 H1 ASN A 1 5.670 10.785 -7.567 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.346 11.047 -7.511 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.669 9.713 -6.709 1.00 1.65 H new ATOM 0 HA ASN A 1 6.167 12.552 -6.077 1.00 1.32 H new ATOM 0 HB2 ASN A 1 5.328 10.003 -4.637 1.00 1.23 H new ATOM 0 HB3 ASN A 1 5.132 11.618 -3.985 1.00 1.23 H new ATOM 0 HD21 ASN A 1 2.409 10.066 -6.556 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.847 9.180 -6.038 1.00 1.42 H new ATOM 17 N TYR A 2 8.120 12.644 -4.526 1.00 1.16 N ATOM 18 CA TYR A 2 9.279 12.762 -3.636 1.00 1.12 C ATOM 19 C TYR A 2 9.769 14.199 -3.635 1.00 1.22 C ATOM 20 O TYR A 2 10.441 14.633 -2.705 1.00 1.20 O ATOM 21 CB TYR A 2 10.437 11.835 -4.049 1.00 1.31 C ATOM 22 CG TYR A 2 11.250 12.318 -5.234 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.444 13.006 -5.042 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.832 12.084 -6.538 1.00 1.84 C ATOM 25 CE1 TYR A 2 13.193 13.447 -6.112 1.00 2.90 C ATOM 26 CE2 TYR A 2 11.578 12.522 -7.615 1.00 2.43 C ATOM 27 CZ TYR A 2 12.756 13.203 -7.396 1.00 2.97 C ATOM 28 OH TYR A 2 13.500 13.644 -8.465 1.00 3.73 O ATOM 0 H TYR A 2 7.745 13.541 -4.833 1.00 1.16 H new ATOM 0 HA TYR A 2 8.955 12.461 -2.640 1.00 1.12 H new ATOM 0 HB2 TYR A 2 11.104 11.709 -3.196 1.00 1.31 H new ATOM 0 HB3 TYR A 2 10.030 10.851 -4.283 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.790 13.198 -4.037 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.909 11.551 -6.713 1.00 1.84 H new ATOM 0 HE1 TYR A 2 14.117 13.981 -5.945 1.00 2.90 H new ATOM 0 HE2 TYR A 2 11.240 12.332 -8.623 1.00 2.43 H new ATOM 0 HH TYR A 2 13.055 13.390 -9.300 1.00 3.73 H new ATOM 38 N ASP A 3 9.415 14.923 -4.699 1.00 1.44 N ATOM 39 CA ASP A 3 9.858 16.300 -4.905 1.00 1.65 C ATOM 40 C ASP A 3 9.620 17.137 -3.641 1.00 1.53 C ATOM 41 O ASP A 3 10.571 17.696 -3.086 1.00 1.62 O ATOM 42 CB ASP A 3 9.141 16.914 -6.120 1.00 1.99 C ATOM 43 CG ASP A 3 8.798 15.886 -7.186 1.00 2.44 C ATOM 44 OD1 ASP A 3 9.404 15.930 -8.285 1.00 2.78 O ATOM 45 OD2 ASP A 3 7.935 15.019 -6.937 1.00 2.63 O ATOM 0 H ASP A 3 8.812 14.569 -5.442 1.00 1.44 H new ATOM 0 HA ASP A 3 10.929 16.298 -5.108 1.00 1.65 H new ATOM 0 HB2 ASP A 3 8.226 17.403 -5.786 1.00 1.99 H new ATOM 0 HB3 ASP A 3 9.774 17.686 -6.557 1.00 1.99 H new ATOM 50 N PRO A 4 8.360 17.261 -3.163 1.00 1.46 N ATOM 51 CA PRO A 4 8.079 17.794 -1.845 1.00 1.45 C ATOM 52 C PRO A 4 7.870 16.676 -0.821 1.00 1.27 C ATOM 53 O PRO A 4 8.614 16.548 0.152 1.00 1.34 O ATOM 54 CB PRO A 4 6.781 18.583 -2.068 1.00 1.61 C ATOM 55 CG PRO A 4 6.169 18.033 -3.331 1.00 1.63 C ATOM 56 CD PRO A 4 7.104 16.974 -3.867 1.00 1.52 C ATOM 0 HA PRO A 4 8.894 18.398 -1.446 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.103 18.465 -1.223 1.00 1.61 H new ATOM 0 HB3 PRO A 4 6.985 19.649 -2.166 1.00 1.61 H new ATOM 0 HG2 PRO A 4 5.186 17.608 -3.127 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.028 18.826 -4.065 1.00 1.63 H new ATOM 0 HD2 PRO A 4 6.741 15.969 -3.653 1.00 1.52 H new ATOM 0 HD3 PRO A 4 7.221 17.047 -4.948 1.00 1.52 H new ATOM 64 N PHE A 5 6.849 15.871 -1.068 1.00 1.17 N ATOM 65 CA PHE A 5 6.525 14.721 -0.259 1.00 1.11 C ATOM 66 C PHE A 5 5.786 13.735 -1.145 1.00 0.94 C ATOM 67 O PHE A 5 5.450 14.062 -2.285 1.00 1.01 O ATOM 68 CB PHE A 5 5.673 15.114 0.958 1.00 1.40 C ATOM 69 CG PHE A 5 4.364 15.775 0.616 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.299 17.144 0.401 1.00 1.75 C ATOM 71 CD2 PHE A 5 3.197 15.032 0.520 1.00 2.34 C ATOM 72 CE1 PHE A 5 3.099 17.755 0.094 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.994 15.638 0.213 1.00 3.21 C ATOM 74 CZ PHE A 5 1.945 17.002 0.000 1.00 3.19 C ATOM 0 H PHE A 5 6.213 16.007 -1.854 1.00 1.17 H new ATOM 0 HA PHE A 5 7.437 14.271 0.134 1.00 1.11 H new ATOM 0 HB2 PHE A 5 5.471 14.220 1.548 1.00 1.40 H new ATOM 0 HB3 PHE A 5 6.252 15.788 1.589 1.00 1.40 H new ATOM 0 HD1 PHE A 5 5.197 17.739 0.475 1.00 1.75 H new ATOM 0 HD2 PHE A 5 3.229 13.966 0.687 1.00 2.34 H new ATOM 0 HE1 PHE A 5 3.063 18.821 -0.073 1.00 2.39 H new ATOM 0 HE2 PHE A 5 1.093 15.046 0.140 1.00 3.21 H new ATOM 0 HZ PHE A 5 1.006 17.479 -0.240 1.00 3.19 H new ATOM 84 N VAL A 6 5.546 12.542 -0.650 1.00 0.85 N ATOM 85 CA VAL A 6 4.806 11.555 -1.420 1.00 0.79 C ATOM 86 C VAL A 6 3.314 11.632 -1.123 1.00 0.69 C ATOM 87 O VAL A 6 2.907 11.801 0.024 1.00 0.77 O ATOM 88 CB VAL A 6 5.330 10.134 -1.150 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.372 9.078 -1.684 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.714 9.980 -1.754 1.00 1.41 C ATOM 0 H VAL A 6 5.847 12.229 0.273 1.00 0.85 H new ATOM 0 HA VAL A 6 4.958 11.783 -2.475 1.00 0.79 H new ATOM 0 HB VAL A 6 5.398 9.984 -0.072 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.772 8.086 -1.477 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.403 9.187 -1.198 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.254 9.204 -2.760 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.085 8.973 -1.562 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.662 10.149 -2.830 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.390 10.707 -1.304 1.00 1.41 H new ATOM 100 N ARG A 7 2.505 11.522 -2.165 1.00 0.64 N ATOM 101 CA ARG A 7 1.066 11.548 -2.007 1.00 0.56 C ATOM 102 C ARG A 7 0.410 10.446 -2.821 1.00 0.54 C ATOM 103 O ARG A 7 0.892 10.074 -3.888 1.00 0.64 O ATOM 104 CB ARG A 7 0.501 12.901 -2.431 1.00 0.57 C ATOM 105 CG ARG A 7 -1.003 13.030 -2.208 1.00 0.57 C ATOM 106 CD ARG A 7 -1.542 14.323 -2.801 1.00 0.71 C ATOM 107 NE ARG A 7 -1.348 14.386 -4.252 1.00 1.61 N ATOM 108 CZ ARG A 7 -0.972 15.487 -4.910 1.00 2.25 C ATOM 109 NH1 ARG A 7 -0.747 16.619 -4.249 1.00 2.26 N ATOM 110 NH2 ARG A 7 -0.820 15.454 -6.231 1.00 3.37 N ATOM 0 H ARG A 7 2.824 11.414 -3.128 1.00 0.64 H new ATOM 0 HA ARG A 7 0.847 11.384 -0.952 1.00 0.56 H new ATOM 0 HB2 ARG A 7 1.011 13.689 -1.877 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.719 13.062 -3.487 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.514 12.180 -2.660 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.218 13.000 -1.140 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.604 14.411 -2.573 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.044 15.172 -2.332 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.510 13.537 -4.794 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -0.861 16.649 -3.236 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -0.460 17.457 -4.755 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -0.990 14.588 -6.742 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -0.533 16.295 -6.732 1.00 3.37 H new ATOM 124 N HIS A 8 -0.681 9.920 -2.295 1.00 0.47 N ATOM 125 CA HIS A 8 -1.509 8.978 -3.045 1.00 0.46 C ATOM 126 C HIS A 8 -2.958 9.418 -3.000 1.00 0.39 C ATOM 127 O HIS A 8 -3.477 9.747 -1.943 1.00 0.39 O ATOM 128 CB HIS A 8 -1.315 7.540 -2.510 1.00 0.56 C ATOM 129 CG HIS A 8 -2.545 6.675 -2.382 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.814 5.927 -1.255 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.537 6.390 -3.256 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.913 5.223 -1.442 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.370 5.485 -2.648 1.00 0.76 N ATOM 0 H HIS A 8 -1.018 10.125 -1.354 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.198 8.972 -4.090 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.610 7.029 -3.166 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.846 7.606 -1.528 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -3.652 6.799 -4.249 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.361 4.548 -0.728 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.209 5.080 -3.064 1.00 0.76 H new ATOM 142 N SER A 9 -3.608 9.394 -4.148 1.00 0.42 N ATOM 143 CA SER A 9 -4.996 9.784 -4.231 1.00 0.40 C ATOM 144 C SER A 9 -5.806 8.717 -4.951 1.00 0.41 C ATOM 145 O SER A 9 -5.597 8.448 -6.130 1.00 0.53 O ATOM 146 CB SER A 9 -5.125 11.124 -4.958 1.00 0.52 C ATOM 147 OG SER A 9 -4.248 12.095 -4.409 1.00 1.28 O ATOM 0 H SER A 9 -3.194 9.108 -5.035 1.00 0.42 H new ATOM 0 HA SER A 9 -5.387 9.893 -3.219 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.904 10.988 -6.017 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.153 11.480 -4.890 1.00 0.52 H new ATOM 0 HG SER A 9 -4.351 12.940 -4.894 1.00 1.28 H new ATOM 153 N VAL A 10 -6.692 8.087 -4.211 1.00 0.35 N ATOM 154 CA VAL A 10 -7.594 7.085 -4.770 1.00 0.36 C ATOM 155 C VAL A 10 -9.047 7.416 -4.449 1.00 0.32 C ATOM 156 O VAL A 10 -9.355 7.865 -3.343 1.00 0.32 O ATOM 157 CB VAL A 10 -7.236 5.671 -4.245 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.467 4.800 -4.043 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.269 4.997 -5.195 1.00 1.18 C ATOM 0 H VAL A 10 -6.813 8.248 -3.211 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.473 7.095 -5.853 1.00 0.36 H new ATOM 0 HB VAL A 10 -6.766 5.795 -3.269 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.163 3.820 -3.675 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.131 5.271 -3.318 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -8.991 4.684 -4.992 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.022 4.004 -4.819 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.728 4.909 -6.180 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.359 5.592 -5.271 1.00 1.18 H new ATOM 169 N THR A 11 -9.924 7.219 -5.426 1.00 0.35 N ATOM 170 CA THR A 11 -11.348 7.392 -5.212 1.00 0.34 C ATOM 171 C THR A 11 -12.002 6.039 -4.941 1.00 0.33 C ATOM 172 O THR A 11 -11.996 5.147 -5.789 1.00 0.43 O ATOM 173 CB THR A 11 -12.028 8.040 -6.428 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.183 9.050 -6.993 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.351 8.662 -6.021 1.00 0.51 C ATOM 0 H THR A 11 -9.670 6.939 -6.373 1.00 0.35 H new ATOM 0 HA THR A 11 -11.473 8.051 -4.353 1.00 0.34 H new ATOM 0 HB THR A 11 -12.208 7.264 -7.173 1.00 0.46 H new ATOM 0 HG1 THR A 11 -11.628 9.453 -7.768 1.00 0.57 H new ATOM 0 HG21 THR A 11 -13.822 9.118 -6.892 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.006 7.891 -5.616 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.176 9.425 -5.262 1.00 0.51 H new ATOM 183 N VAL A 12 -12.561 5.891 -3.755 1.00 0.29 N ATOM 184 CA VAL A 12 -13.165 4.638 -3.342 1.00 0.35 C ATOM 185 C VAL A 12 -14.685 4.683 -3.478 1.00 0.32 C ATOM 186 O VAL A 12 -15.356 5.542 -2.906 1.00 0.36 O ATOM 187 CB VAL A 12 -12.748 4.303 -1.898 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.564 3.156 -1.327 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.257 3.977 -1.871 1.00 0.81 C ATOM 0 H VAL A 12 -12.609 6.631 -3.054 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.804 3.848 -4.001 1.00 0.35 H new ATOM 0 HB VAL A 12 -12.943 5.171 -1.269 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.239 2.951 -0.307 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.620 3.427 -1.324 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.419 2.266 -1.940 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -10.955 3.739 -0.851 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.060 3.121 -2.517 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.690 4.838 -2.226 1.00 0.81 H new ATOM 199 N LYS A 13 -15.205 3.740 -4.255 1.00 0.34 N ATOM 200 CA LYS A 13 -16.614 3.698 -4.619 1.00 0.38 C ATOM 201 C LYS A 13 -17.458 2.885 -3.631 1.00 0.31 C ATOM 202 O LYS A 13 -18.611 2.572 -3.924 1.00 0.37 O ATOM 203 CB LYS A 13 -16.767 3.064 -6.012 1.00 0.58 C ATOM 204 CG LYS A 13 -15.855 3.643 -7.087 1.00 0.68 C ATOM 205 CD LYS A 13 -14.455 3.052 -7.052 1.00 0.97 C ATOM 206 CE LYS A 13 -13.600 3.578 -8.197 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.112 3.143 -9.524 1.00 0.98 N ATOM 0 H LYS A 13 -14.656 2.978 -4.652 1.00 0.34 H new ATOM 0 HA LYS A 13 -16.972 4.727 -4.607 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -16.574 1.994 -5.931 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.802 3.178 -6.335 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.296 3.463 -8.067 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -15.792 4.724 -6.960 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -13.980 3.294 -6.101 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.516 1.965 -7.111 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.574 4.667 -8.158 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -12.575 3.230 -8.073 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -13.472 3.481 -10.271 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -14.161 2.105 -9.554 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.061 3.539 -9.677 1.00 0.98 H new ATOM 221 N ALA A 14 -16.919 2.555 -2.462 1.00 0.29 N ATOM 222 CA ALA A 14 -17.614 1.615 -1.581 1.00 0.30 C ATOM 223 C ALA A 14 -17.414 1.917 -0.097 1.00 0.28 C ATOM 224 O ALA A 14 -17.506 1.016 0.727 1.00 0.31 O ATOM 225 CB ALA A 14 -17.169 0.194 -1.888 1.00 0.36 C ATOM 0 H ALA A 14 -16.031 2.910 -2.107 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.680 1.727 -1.780 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.690 -0.501 -1.229 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.404 -0.045 -2.925 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.094 0.107 -1.730 1.00 0.36 H new ATOM 231 N ASP A 15 -17.179 3.184 0.232 1.00 0.28 N ATOM 232 CA ASP A 15 -17.051 3.641 1.630 1.00 0.31 C ATOM 233 C ASP A 15 -15.691 3.271 2.244 1.00 0.28 C ATOM 234 O ASP A 15 -14.951 2.432 1.720 1.00 0.29 O ATOM 235 CB ASP A 15 -18.210 3.101 2.489 1.00 0.39 C ATOM 236 CG ASP A 15 -18.192 3.598 3.921 1.00 0.61 C ATOM 237 OD1 ASP A 15 -18.523 2.809 4.828 1.00 0.91 O ATOM 238 OD2 ASP A 15 -17.840 4.773 4.145 1.00 0.76 O ATOM 0 H ASP A 15 -17.071 3.929 -0.456 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.106 4.730 1.618 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.156 3.385 2.027 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.171 2.012 2.492 1.00 0.39 H new ATOM 243 N ARG A 16 -15.387 3.915 3.368 1.00 0.28 N ATOM 244 CA ARG A 16 -14.071 3.858 3.998 1.00 0.27 C ATOM 245 C ARG A 16 -13.778 2.488 4.597 1.00 0.28 C ATOM 246 O ARG A 16 -12.642 2.014 4.549 1.00 0.28 O ATOM 247 CB ARG A 16 -13.984 4.930 5.085 1.00 0.29 C ATOM 248 CG ARG A 16 -12.573 5.251 5.517 1.00 0.28 C ATOM 249 CD ARG A 16 -12.500 6.611 6.186 1.00 0.40 C ATOM 250 NE ARG A 16 -13.285 6.687 7.413 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.947 7.446 8.447 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.905 8.263 8.358 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.672 7.414 9.556 1.00 1.88 N ATOM 0 H ARG A 16 -16.055 4.498 3.873 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.323 4.040 3.227 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.458 5.842 4.721 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.553 4.599 5.954 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.217 4.485 6.206 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.912 5.233 4.651 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.459 6.843 6.412 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.851 7.372 5.489 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.136 6.129 7.479 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.364 8.307 7.494 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.645 8.847 9.153 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.489 6.806 9.614 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.413 7.997 10.352 1.00 1.88 H new ATOM 267 N LYS A 17 -14.801 1.866 5.163 1.00 0.33 N ATOM 268 CA LYS A 17 -14.656 0.551 5.777 1.00 0.39 C ATOM 269 C LYS A 17 -14.146 -0.443 4.755 1.00 0.35 C ATOM 270 O LYS A 17 -13.187 -1.178 4.990 1.00 0.37 O ATOM 271 CB LYS A 17 -16.003 0.072 6.297 1.00 0.53 C ATOM 272 CG LYS A 17 -16.707 1.085 7.171 1.00 1.34 C ATOM 273 CD LYS A 17 -18.165 0.721 7.346 1.00 1.70 C ATOM 274 CE LYS A 17 -18.897 1.784 8.149 1.00 2.46 C ATOM 275 NZ LYS A 17 -20.346 1.483 8.279 1.00 3.05 N ATOM 0 H LYS A 17 -15.744 2.251 5.211 1.00 0.33 H new ATOM 0 HA LYS A 17 -13.947 0.627 6.602 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.644 -0.173 5.450 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -15.858 -0.847 6.864 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.220 1.133 8.145 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.626 2.076 6.725 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.636 0.609 6.369 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.246 -0.242 7.851 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.452 1.860 9.141 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.770 2.754 7.668 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.808 2.232 8.833 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -20.777 1.436 7.334 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.469 0.570 8.761 1.00 3.05 H new ATOM 289 N THR A 18 -14.805 -0.435 3.616 1.00 0.35 N ATOM 290 CA THR A 18 -14.491 -1.318 2.525 1.00 0.36 C ATOM 291 C THR A 18 -13.113 -0.999 1.944 1.00 0.33 C ATOM 292 O THR A 18 -12.357 -1.905 1.601 1.00 0.37 O ATOM 293 CB THR A 18 -15.576 -1.175 1.458 1.00 0.41 C ATOM 294 OG1 THR A 18 -16.841 -1.003 2.108 1.00 1.11 O ATOM 295 CG2 THR A 18 -15.646 -2.394 0.573 1.00 0.80 C ATOM 0 H THR A 18 -15.584 0.195 3.424 1.00 0.35 H new ATOM 0 HA THR A 18 -14.461 -2.347 2.884 1.00 0.36 H new ATOM 0 HB THR A 18 -15.334 -0.314 0.836 1.00 0.41 H new ATOM 0 HG1 THR A 18 -17.452 -0.522 1.512 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.428 -2.257 -0.174 1.00 0.80 H new ATOM 0 HG22 THR A 18 -14.688 -2.536 0.073 1.00 0.80 H new ATOM 0 HG23 THR A 18 -15.873 -3.271 1.179 1.00 0.80 H new ATOM 303 N ALA A 19 -12.787 0.291 1.860 1.00 0.29 N ATOM 304 CA ALA A 19 -11.468 0.717 1.402 1.00 0.29 C ATOM 305 C ALA A 19 -10.381 0.118 2.280 1.00 0.28 C ATOM 306 O ALA A 19 -9.411 -0.451 1.784 1.00 0.32 O ATOM 307 CB ALA A 19 -11.360 2.236 1.401 1.00 0.31 C ATOM 0 H ALA A 19 -13.417 1.056 2.103 1.00 0.29 H new ATOM 0 HA ALA A 19 -11.333 0.360 0.381 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.369 2.530 1.056 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -12.115 2.654 0.735 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.519 2.613 2.411 1.00 0.31 H new ATOM 313 N PHE A 20 -10.565 0.244 3.589 1.00 0.25 N ATOM 314 CA PHE A 20 -9.633 -0.318 4.557 1.00 0.26 C ATOM 315 C PHE A 20 -9.555 -1.833 4.414 1.00 0.31 C ATOM 316 O PHE A 20 -8.466 -2.412 4.418 1.00 0.33 O ATOM 317 CB PHE A 20 -10.066 0.056 5.977 1.00 0.28 C ATOM 318 CG PHE A 20 -9.272 -0.614 7.063 1.00 0.30 C ATOM 319 CD1 PHE A 20 -8.022 -0.134 7.420 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.772 -1.724 7.717 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.285 -0.752 8.412 1.00 0.37 C ATOM 322 CE2 PHE A 20 -9.041 -2.346 8.710 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.815 -1.848 9.080 1.00 0.38 C ATOM 0 H PHE A 20 -11.357 0.734 4.006 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.643 0.096 4.365 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.984 1.136 6.097 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -11.118 -0.199 6.102 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.619 0.733 6.917 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.745 -2.109 7.449 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.302 -0.385 8.667 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.434 -3.226 9.197 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.265 -2.308 9.888 1.00 0.38 H new ATOM 333 N LYS A 21 -10.716 -2.470 4.289 1.00 0.35 N ATOM 334 CA LYS A 21 -10.781 -3.916 4.140 1.00 0.42 C ATOM 335 C LYS A 21 -9.996 -4.369 2.918 1.00 0.44 C ATOM 336 O LYS A 21 -9.116 -5.215 3.028 1.00 0.49 O ATOM 337 CB LYS A 21 -12.235 -4.386 4.031 1.00 0.49 C ATOM 338 CG LYS A 21 -12.380 -5.840 3.590 1.00 0.64 C ATOM 339 CD LYS A 21 -11.755 -6.808 4.588 1.00 1.24 C ATOM 340 CE LYS A 21 -12.440 -6.755 5.948 1.00 1.79 C ATOM 341 NZ LYS A 21 -13.867 -7.167 5.877 1.00 2.39 N ATOM 0 H LYS A 21 -11.624 -2.005 4.288 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.334 -4.364 5.028 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.722 -4.259 4.998 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.762 -3.747 3.322 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.437 -6.078 3.469 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.910 -5.971 2.615 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -11.813 -7.822 4.193 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -10.697 -6.572 4.706 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.911 -7.405 6.645 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.376 -5.742 6.346 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -14.249 -7.262 6.840 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -14.411 -6.448 5.358 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -13.941 -8.079 5.383 1.00 2.39 H new ATOM 355 N THR A 22 -10.301 -3.784 1.768 1.00 0.43 N ATOM 356 CA THR A 22 -9.632 -4.149 0.533 1.00 0.48 C ATOM 357 C THR A 22 -8.137 -3.841 0.613 1.00 0.49 C ATOM 358 O THR A 22 -7.310 -4.705 0.331 1.00 0.68 O ATOM 359 CB THR A 22 -10.263 -3.419 -0.677 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.674 -3.682 -0.717 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.633 -3.862 -1.994 1.00 0.58 C ATOM 0 H THR A 22 -11.008 -3.055 1.667 1.00 0.43 H new ATOM 0 HA THR A 22 -9.759 -5.222 0.392 1.00 0.48 H new ATOM 0 HB THR A 22 -10.080 -2.352 -0.554 1.00 0.48 H new ATOM 0 HG1 THR A 22 -12.121 -3.178 -0.006 1.00 0.48 H new ATOM 0 HG21 THR A 22 -10.102 -3.327 -2.820 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.566 -3.642 -1.979 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.780 -4.934 -2.125 1.00 0.58 H new ATOM 369 N PHE A 23 -7.800 -2.627 1.051 1.00 0.37 N ATOM 370 CA PHE A 23 -6.414 -2.161 1.058 1.00 0.38 C ATOM 371 C PHE A 23 -5.529 -2.999 1.982 1.00 0.38 C ATOM 372 O PHE A 23 -4.414 -3.362 1.614 1.00 0.43 O ATOM 373 CB PHE A 23 -6.348 -0.679 1.461 1.00 0.37 C ATOM 374 CG PHE A 23 -4.965 -0.081 1.405 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.461 0.411 0.211 1.00 0.44 C ATOM 376 CD2 PHE A 23 -4.168 -0.010 2.543 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.194 0.960 0.148 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.901 0.538 2.483 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.410 1.018 1.321 1.00 0.48 C ATOM 0 H PHE A 23 -8.472 -1.947 1.407 1.00 0.37 H new ATOM 0 HA PHE A 23 -6.030 -2.276 0.044 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -7.005 -0.107 0.806 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.736 -0.572 2.474 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -5.066 0.365 -0.682 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.543 -0.387 3.483 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.809 1.340 -0.787 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.296 0.583 3.377 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.419 1.446 1.288 1.00 0.48 H new ATOM 389 N LEU A 24 -6.022 -3.314 3.173 1.00 0.35 N ATOM 390 CA LEU A 24 -5.190 -3.982 4.165 1.00 0.37 C ATOM 391 C LEU A 24 -5.479 -5.483 4.243 1.00 0.39 C ATOM 392 O LEU A 24 -4.581 -6.304 4.066 1.00 0.48 O ATOM 393 CB LEU A 24 -5.380 -3.334 5.540 1.00 0.40 C ATOM 394 CG LEU A 24 -4.292 -3.666 6.561 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.943 -3.176 6.065 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.610 -3.042 7.908 1.00 0.44 C ATOM 0 H LEU A 24 -6.978 -3.122 3.472 1.00 0.35 H new ATOM 0 HA LEU A 24 -4.153 -3.866 3.851 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.422 -2.252 5.414 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.344 -3.645 5.943 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.255 -4.748 6.683 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -2.175 -3.418 6.800 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.705 -3.662 5.119 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.979 -2.096 5.920 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.823 -3.291 8.619 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.673 -1.959 7.801 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.563 -3.427 8.272 1.00 0.44 H new ATOM 408 N GLU A 25 -6.733 -5.842 4.491 1.00 0.40 N ATOM 409 CA GLU A 25 -7.089 -7.241 4.726 1.00 0.46 C ATOM 410 C GLU A 25 -7.595 -7.909 3.450 1.00 0.54 C ATOM 411 O GLU A 25 -8.203 -8.982 3.484 1.00 1.01 O ATOM 412 CB GLU A 25 -8.126 -7.336 5.844 1.00 0.51 C ATOM 413 CG GLU A 25 -7.577 -6.901 7.194 1.00 0.66 C ATOM 414 CD GLU A 25 -8.578 -7.046 8.316 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.079 -8.169 8.526 1.00 1.24 O ATOM 416 OE2 GLU A 25 -8.876 -6.038 8.990 1.00 1.18 O ATOM 0 H GLU A 25 -7.517 -5.191 4.535 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.191 -7.776 5.036 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.986 -6.716 5.590 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.483 -8.363 5.916 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.691 -7.492 7.427 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.258 -5.860 7.132 1.00 0.66 H new ATOM 423 N GLY A 26 -7.334 -7.264 2.331 1.00 0.37 N ATOM 424 CA GLY A 26 -7.631 -7.844 1.040 1.00 0.45 C ATOM 425 C GLY A 26 -6.401 -7.824 0.167 1.00 0.48 C ATOM 426 O GLY A 26 -6.482 -7.876 -1.052 1.00 0.83 O ATOM 0 H GLY A 26 -6.915 -6.335 2.291 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.981 -8.869 1.165 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.436 -7.288 0.560 1.00 0.45 H new ATOM 430 N PHE A 27 -5.258 -7.786 0.827 1.00 0.42 N ATOM 431 CA PHE A 27 -3.972 -7.579 0.178 1.00 0.44 C ATOM 432 C PHE A 27 -3.719 -8.560 -0.984 1.00 0.47 C ATOM 433 O PHE A 27 -3.293 -8.139 -2.056 1.00 0.53 O ATOM 434 CB PHE A 27 -2.860 -7.678 1.228 1.00 0.48 C ATOM 435 CG PHE A 27 -1.568 -7.042 0.812 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.528 -5.707 0.444 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.393 -7.773 0.797 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.339 -5.114 0.066 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.797 -7.186 0.423 1.00 0.74 C ATOM 440 CZ PHE A 27 0.825 -5.855 0.054 1.00 0.71 C ATOM 0 H PHE A 27 -5.193 -7.899 1.839 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.979 -6.584 -0.267 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -3.203 -7.209 2.150 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.679 -8.729 1.453 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.437 -5.123 0.453 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.408 -8.815 1.081 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.320 -4.073 -0.220 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.708 -7.767 0.418 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.756 -5.395 -0.243 1.00 0.71 H new ATOM 450 N PRO A 28 -3.956 -9.877 -0.812 1.00 0.49 N ATOM 451 CA PRO A 28 -3.713 -10.849 -1.877 1.00 0.57 C ATOM 452 C PRO A 28 -4.933 -11.167 -2.758 1.00 0.59 C ATOM 453 O PRO A 28 -4.945 -12.198 -3.435 1.00 0.76 O ATOM 454 CB PRO A 28 -3.319 -12.074 -1.066 1.00 0.73 C ATOM 455 CG PRO A 28 -4.221 -12.017 0.118 1.00 0.74 C ATOM 456 CD PRO A 28 -4.397 -10.551 0.431 1.00 0.52 C ATOM 0 HA PRO A 28 -2.980 -10.486 -2.598 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -3.461 -12.993 -1.634 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -2.270 -12.040 -0.772 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -5.180 -12.489 -0.098 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.788 -12.548 0.965 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -5.433 -10.313 0.671 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.794 -10.248 1.287 1.00 0.52 H new ATOM 464 N GLU A 29 -5.952 -10.305 -2.770 1.00 0.54 N ATOM 465 CA GLU A 29 -7.156 -10.598 -3.561 1.00 0.67 C ATOM 466 C GLU A 29 -7.299 -9.671 -4.769 1.00 0.69 C ATOM 467 O GLU A 29 -8.187 -9.867 -5.600 1.00 0.85 O ATOM 468 CB GLU A 29 -8.423 -10.505 -2.703 1.00 0.85 C ATOM 469 CG GLU A 29 -8.807 -9.084 -2.325 1.00 0.90 C ATOM 470 CD GLU A 29 -10.146 -9.001 -1.628 1.00 1.18 C ATOM 471 OE1 GLU A 29 -10.260 -9.518 -0.496 1.00 1.21 O ATOM 472 OE2 GLU A 29 -11.088 -8.417 -2.202 1.00 1.49 O ATOM 0 H GLU A 29 -5.973 -9.423 -2.258 1.00 0.54 H new ATOM 0 HA GLU A 29 -7.037 -11.619 -3.924 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.251 -10.963 -3.244 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -8.277 -11.086 -1.792 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -8.038 -8.666 -1.675 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.833 -8.469 -3.224 1.00 0.90 H new ATOM 479 N TRP A 30 -6.445 -8.660 -4.865 1.00 0.64 N ATOM 480 CA TRP A 30 -6.555 -7.682 -5.948 1.00 0.81 C ATOM 481 C TRP A 30 -6.084 -8.272 -7.276 1.00 0.66 C ATOM 482 O TRP A 30 -5.496 -9.351 -7.317 1.00 0.74 O ATOM 483 CB TRP A 30 -5.737 -6.423 -5.644 1.00 1.07 C ATOM 484 CG TRP A 30 -6.029 -5.787 -4.322 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.951 -6.181 -3.397 1.00 0.50 C ATOM 486 CD2 TRP A 30 -5.384 -4.631 -3.777 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.889 -5.364 -2.300 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.943 -4.402 -2.513 1.00 2.05 C ATOM 489 CE3 TRP A 30 -4.380 -3.773 -4.228 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -5.535 -3.357 -1.697 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -3.978 -2.732 -3.413 1.00 4.62 C ATOM 492 CH2 TRP A 30 -4.554 -2.533 -2.161 1.00 4.29 C ATOM 0 H TRP A 30 -5.676 -8.494 -4.216 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.609 -7.415 -6.027 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.678 -6.677 -5.683 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.918 -5.691 -6.431 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.629 -7.014 -3.513 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.458 -5.459 -1.459 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.925 -3.920 -5.197 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.980 -3.202 -0.725 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -3.203 -2.061 -3.753 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -4.217 -1.711 -1.547 1.00 4.29 H new ATOM 503 N TRP A 31 -6.338 -7.536 -8.350 1.00 0.55 N ATOM 504 CA TRP A 31 -5.942 -7.939 -9.698 1.00 0.57 C ATOM 505 C TRP A 31 -4.533 -7.434 -10.110 1.00 0.60 C ATOM 506 O TRP A 31 -3.894 -8.074 -10.945 1.00 0.74 O ATOM 507 CB TRP A 31 -6.955 -7.426 -10.726 1.00 0.74 C ATOM 508 CG TRP A 31 -8.388 -7.587 -10.315 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.285 -6.583 -10.080 1.00 0.69 C ATOM 510 CD2 TRP A 31 -9.087 -8.815 -10.085 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.502 -7.115 -9.728 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.404 -8.484 -9.721 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.726 -10.162 -10.156 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.362 -9.453 -9.427 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.675 -11.122 -9.863 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.980 -10.764 -9.504 1.00 2.78 C ATOM 0 H TRP A 31 -6.825 -6.641 -8.314 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.913 -9.028 -9.681 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.760 -6.370 -10.915 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.798 -7.953 -11.667 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.069 -5.528 -10.159 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.342 -6.580 -9.508 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.723 -10.448 -10.435 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.369 -9.179 -9.149 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.406 -12.167 -9.912 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.700 -11.539 -9.283 1.00 2.78 H new ATOM 527 N PRO A 32 -4.038 -6.266 -9.593 1.00 0.71 N ATOM 528 CA PRO A 32 -2.735 -5.705 -10.012 1.00 0.84 C ATOM 529 C PRO A 32 -1.520 -6.563 -9.612 1.00 0.85 C ATOM 530 O PRO A 32 -1.528 -7.786 -9.756 1.00 1.36 O ATOM 531 CB PRO A 32 -2.688 -4.341 -9.306 1.00 1.01 C ATOM 532 CG PRO A 32 -3.623 -4.463 -8.156 1.00 0.92 C ATOM 533 CD PRO A 32 -4.706 -5.380 -8.617 1.00 0.87 C ATOM 0 HA PRO A 32 -2.668 -5.652 -11.099 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.678 -4.107 -8.969 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -2.994 -3.539 -9.978 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -3.116 -4.865 -7.279 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.026 -3.491 -7.873 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -5.128 -5.947 -7.787 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.527 -4.829 -9.076 1.00 0.87 H new ATOM 541 N ASN A 33 -0.466 -5.906 -9.116 1.00 0.53 N ATOM 542 CA ASN A 33 0.810 -6.577 -8.834 1.00 0.57 C ATOM 543 C ASN A 33 0.621 -7.731 -7.859 1.00 0.67 C ATOM 544 O ASN A 33 1.255 -8.784 -7.959 1.00 0.72 O ATOM 545 CB ASN A 33 1.819 -5.597 -8.221 1.00 0.60 C ATOM 546 CG ASN A 33 3.097 -6.307 -7.799 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.631 -7.149 -8.523 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.569 -6.013 -6.597 1.00 0.76 N ATOM 0 H ASN A 33 -0.470 -4.909 -8.901 1.00 0.53 H new ATOM 0 HA ASN A 33 1.186 -6.955 -9.785 1.00 0.57 H new ATOM 0 HB2 ASN A 33 2.056 -4.817 -8.944 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.372 -5.105 -7.357 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.399 -6.489 -6.245 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.102 -5.310 -6.024 1.00 0.76 H new ATOM 555 N ASN A 34 -0.281 -7.522 -6.931 1.00 0.85 N ATOM 556 CA ASN A 34 -0.445 -8.405 -5.795 1.00 1.03 C ATOM 557 C ASN A 34 -1.431 -9.536 -6.067 1.00 1.40 C ATOM 558 O ASN A 34 -1.968 -10.135 -5.138 1.00 1.74 O ATOM 559 CB ASN A 34 -0.861 -7.594 -4.562 1.00 1.07 C ATOM 560 CG ASN A 34 -1.929 -6.549 -4.847 1.00 1.16 C ATOM 561 OD1 ASN A 34 -2.032 -6.001 -5.944 1.00 1.79 O ATOM 562 ND2 ASN A 34 -2.721 -6.251 -3.852 1.00 1.47 N ATOM 0 H ASN A 34 -0.926 -6.732 -6.940 1.00 0.85 H new ATOM 0 HA ASN A 34 0.518 -8.880 -5.605 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -1.229 -8.277 -3.797 1.00 1.07 H new ATOM 0 HB3 ASN A 34 0.018 -7.099 -4.151 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -3.449 -5.547 -3.973 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -2.611 -6.722 -2.954 1.00 1.47 H new ATOM 569 N PHE A 35 -1.619 -9.856 -7.337 1.00 1.51 N ATOM 570 CA PHE A 35 -2.460 -10.982 -7.736 1.00 1.98 C ATOM 571 C PHE A 35 -1.649 -12.284 -7.755 1.00 2.03 C ATOM 572 O PHE A 35 -2.203 -13.381 -7.685 1.00 2.51 O ATOM 573 CB PHE A 35 -3.052 -10.708 -9.123 1.00 2.40 C ATOM 574 CG PHE A 35 -4.002 -11.765 -9.619 1.00 2.92 C ATOM 575 CD1 PHE A 35 -3.612 -12.661 -10.601 1.00 3.19 C ATOM 576 CD2 PHE A 35 -5.285 -11.858 -9.107 1.00 3.49 C ATOM 577 CE1 PHE A 35 -4.485 -13.628 -11.062 1.00 3.91 C ATOM 578 CE2 PHE A 35 -6.161 -12.823 -9.563 1.00 4.27 C ATOM 579 CZ PHE A 35 -5.760 -13.710 -10.542 1.00 4.45 C ATOM 0 H PHE A 35 -1.199 -9.350 -8.117 1.00 1.51 H new ATOM 0 HA PHE A 35 -3.267 -11.095 -7.012 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -3.574 -9.752 -9.098 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.236 -10.607 -9.838 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.614 -12.603 -11.011 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -5.605 -11.167 -8.341 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -4.169 -14.319 -11.829 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -7.159 -12.884 -9.154 1.00 4.27 H new ATOM 0 HZ PHE A 35 -6.443 -14.466 -10.900 1.00 4.45 H new ATOM 589 N ARG A 36 -0.329 -12.149 -7.810 1.00 1.65 N ATOM 590 CA ARG A 36 0.559 -13.294 -8.008 1.00 1.75 C ATOM 591 C ARG A 36 0.953 -13.964 -6.688 1.00 1.59 C ATOM 592 O ARG A 36 0.525 -13.548 -5.606 1.00 1.48 O ATOM 593 CB ARG A 36 1.817 -12.847 -8.747 1.00 1.73 C ATOM 594 CG ARG A 36 1.545 -12.276 -10.127 1.00 1.84 C ATOM 595 CD ARG A 36 2.821 -11.777 -10.781 1.00 2.25 C ATOM 596 NE ARG A 36 3.393 -10.632 -10.075 1.00 2.72 N ATOM 597 CZ ARG A 36 4.611 -10.624 -9.530 1.00 3.34 C ATOM 598 NH1 ARG A 36 5.372 -11.714 -9.570 1.00 3.59 N ATOM 599 NH2 ARG A 36 5.069 -9.528 -8.942 1.00 4.14 N ATOM 0 H ARG A 36 0.154 -11.255 -7.720 1.00 1.65 H new ATOM 0 HA ARG A 36 0.013 -14.029 -8.599 1.00 1.75 H new ATOM 0 HB2 ARG A 36 2.332 -12.096 -8.148 1.00 1.73 H new ATOM 0 HB3 ARG A 36 2.493 -13.697 -8.842 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.087 -13.040 -10.755 1.00 1.84 H new ATOM 0 HG3 ARG A 36 0.830 -11.457 -10.049 1.00 1.84 H new ATOM 0 HD2 ARG A 36 3.552 -12.585 -10.811 1.00 2.25 H new ATOM 0 HD3 ARG A 36 2.612 -11.498 -11.814 1.00 2.25 H new ATOM 0 HE ARG A 36 2.827 -9.788 -9.994 1.00 2.72 H new ATOM 0 HH11 ARG A 36 5.025 -12.562 -10.019 1.00 3.59 H new ATOM 0 HH12 ARG A 36 6.302 -11.702 -9.152 1.00 3.59 H new ATOM 0 HH21 ARG A 36 4.490 -8.689 -8.906 1.00 4.14 H new ATOM 0 HH22 ARG A 36 6.000 -9.524 -8.526 1.00 4.14 H new ATOM 613 N THR A 37 1.775 -15.005 -6.794 1.00 1.75 N ATOM 614 CA THR A 37 2.276 -15.737 -5.638 1.00 1.72 C ATOM 615 C THR A 37 3.710 -15.300 -5.322 1.00 1.37 C ATOM 616 O THR A 37 4.513 -15.109 -6.236 1.00 1.37 O ATOM 617 CB THR A 37 2.242 -17.258 -5.904 1.00 2.19 C ATOM 618 OG1 THR A 37 0.932 -17.645 -6.344 1.00 2.53 O ATOM 619 CG2 THR A 37 2.609 -18.050 -4.656 1.00 2.68 C ATOM 0 H THR A 37 2.112 -15.364 -7.687 1.00 1.75 H new ATOM 0 HA THR A 37 1.635 -15.515 -4.785 1.00 1.72 H new ATOM 0 HB THR A 37 2.977 -17.479 -6.678 1.00 2.19 H new ATOM 0 HG1 THR A 37 0.916 -18.610 -6.513 1.00 2.53 H new ATOM 0 HG21 THR A 37 2.575 -19.116 -4.879 1.00 2.68 H new ATOM 0 HG22 THR A 37 3.615 -17.778 -4.335 1.00 2.68 H new ATOM 0 HG23 THR A 37 1.900 -17.823 -3.860 1.00 2.68 H new ATOM 627 N THR A 38 4.002 -15.117 -4.026 1.00 1.24 N ATOM 628 CA THR A 38 5.301 -14.615 -3.549 1.00 1.07 C ATOM 629 C THR A 38 5.709 -13.343 -4.291 1.00 1.09 C ATOM 630 O THR A 38 6.890 -13.033 -4.435 1.00 1.38 O ATOM 631 CB THR A 38 6.426 -15.673 -3.641 1.00 1.16 C ATOM 632 OG1 THR A 38 6.731 -15.995 -5.007 1.00 1.42 O ATOM 633 CG2 THR A 38 6.038 -16.940 -2.893 1.00 1.37 C ATOM 0 H THR A 38 3.341 -15.314 -3.275 1.00 1.24 H new ATOM 0 HA THR A 38 5.165 -14.381 -2.493 1.00 1.07 H new ATOM 0 HB THR A 38 7.315 -15.242 -3.179 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.147 -15.481 -5.603 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.844 -17.670 -2.971 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.863 -16.704 -1.843 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.129 -17.355 -3.328 1.00 1.37 H new ATOM 641 N LYS A 39 4.696 -12.605 -4.725 1.00 0.96 N ATOM 642 CA LYS A 39 4.876 -11.380 -5.498 1.00 1.09 C ATOM 643 C LYS A 39 5.513 -10.286 -4.655 1.00 1.22 C ATOM 644 O LYS A 39 6.671 -9.930 -4.864 1.00 1.97 O ATOM 645 CB LYS A 39 3.527 -10.925 -6.070 1.00 1.15 C ATOM 646 CG LYS A 39 2.344 -11.310 -5.198 1.00 1.49 C ATOM 647 CD LYS A 39 1.806 -10.144 -4.401 1.00 1.66 C ATOM 648 CE LYS A 39 0.968 -10.625 -3.226 1.00 2.28 C ATOM 649 NZ LYS A 39 -0.168 -11.495 -3.645 1.00 2.90 N ATOM 0 H LYS A 39 3.719 -12.840 -4.550 1.00 0.96 H new ATOM 0 HA LYS A 39 5.555 -11.585 -6.325 1.00 1.09 H new ATOM 0 HB2 LYS A 39 3.540 -9.842 -6.195 1.00 1.15 H new ATOM 0 HB3 LYS A 39 3.395 -11.359 -7.061 1.00 1.15 H new ATOM 0 HG2 LYS A 39 1.550 -11.713 -5.827 1.00 1.49 H new ATOM 0 HG3 LYS A 39 2.644 -12.105 -4.515 1.00 1.49 H new ATOM 0 HD2 LYS A 39 2.634 -9.536 -4.037 1.00 1.66 H new ATOM 0 HD3 LYS A 39 1.202 -9.506 -5.046 1.00 1.66 H new ATOM 0 HE2 LYS A 39 1.604 -11.175 -2.533 1.00 2.28 H new ATOM 0 HE3 LYS A 39 0.579 -9.762 -2.686 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 -0.633 -11.889 -2.802 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 -0.854 -10.933 -4.188 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 0.189 -12.271 -4.238 1.00 2.90 H new ATOM 663 N VAL A 40 4.758 -9.750 -3.711 1.00 1.04 N ATOM 664 CA VAL A 40 5.313 -8.827 -2.745 1.00 1.22 C ATOM 665 C VAL A 40 5.640 -9.590 -1.485 1.00 1.42 C ATOM 666 O VAL A 40 6.379 -9.131 -0.612 1.00 1.83 O ATOM 667 CB VAL A 40 4.367 -7.639 -2.452 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.031 -6.902 -3.730 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.095 -8.098 -1.778 1.00 1.40 C ATOM 0 H VAL A 40 3.762 -9.939 -3.596 1.00 1.04 H new ATOM 0 HA VAL A 40 6.220 -8.389 -3.161 1.00 1.22 H new ATOM 0 HB VAL A 40 4.889 -6.964 -1.773 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.365 -6.069 -3.505 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.947 -6.522 -4.182 1.00 1.78 H new ATOM 0 HG13 VAL A 40 3.539 -7.583 -4.424 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.454 -7.238 -1.587 1.00 1.40 H new ATOM 0 HG22 VAL A 40 2.574 -8.802 -2.426 1.00 1.40 H new ATOM 0 HG23 VAL A 40 3.339 -8.586 -0.834 1.00 1.40 H new ATOM 679 N GLY A 41 5.115 -10.793 -1.451 1.00 1.42 N ATOM 680 CA GLY A 41 5.399 -11.718 -0.401 1.00 1.82 C ATOM 681 C GLY A 41 4.892 -13.089 -0.756 1.00 1.67 C ATOM 682 O GLY A 41 5.656 -14.052 -0.710 1.00 2.17 O ATOM 0 H GLY A 41 4.475 -11.151 -2.160 1.00 1.42 H new ATOM 0 HA2 GLY A 41 6.474 -11.756 -0.223 1.00 1.82 H new ATOM 0 HA3 GLY A 41 4.934 -11.380 0.525 1.00 1.82 H new ATOM 686 N ALA A 42 3.605 -13.135 -1.165 1.00 1.12 N ATOM 687 CA ALA A 42 2.851 -14.399 -1.402 1.00 1.00 C ATOM 688 C ALA A 42 1.334 -14.223 -1.181 1.00 1.01 C ATOM 689 O ALA A 42 0.853 -13.104 -1.036 1.00 1.09 O ATOM 690 CB ALA A 42 3.353 -15.505 -0.488 1.00 0.80 C ATOM 0 H ALA A 42 3.052 -12.296 -1.342 1.00 1.12 H new ATOM 0 HA ALA A 42 3.021 -14.669 -2.444 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.789 -16.418 -0.678 1.00 0.80 H new ATOM 0 HB2 ALA A 42 4.410 -15.685 -0.681 1.00 0.80 H new ATOM 0 HB3 ALA A 42 3.220 -15.206 0.552 1.00 0.80 H new ATOM 696 N PRO A 43 0.539 -15.322 -1.224 1.00 1.05 N ATOM 697 CA PRO A 43 -0.863 -15.304 -0.772 1.00 1.15 C ATOM 698 C PRO A 43 -1.009 -15.227 0.754 1.00 1.08 C ATOM 699 O PRO A 43 -1.314 -16.223 1.410 1.00 1.40 O ATOM 700 CB PRO A 43 -1.431 -16.640 -1.269 1.00 1.29 C ATOM 701 CG PRO A 43 -0.452 -17.138 -2.271 1.00 1.48 C ATOM 702 CD PRO A 43 0.879 -16.636 -1.805 1.00 1.11 C ATOM 0 HA PRO A 43 -1.377 -14.423 -1.156 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.547 -17.347 -0.448 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.416 -16.506 -1.716 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.465 -18.227 -2.326 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -0.686 -16.766 -3.268 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.328 -17.302 -1.068 1.00 1.11 H new ATOM 0 HD3 PRO A 43 1.589 -16.545 -2.627 1.00 1.11 H new ATOM 710 N LEU A 44 -0.755 -14.054 1.315 1.00 0.87 N ATOM 711 CA LEU A 44 -1.052 -13.788 2.724 1.00 0.85 C ATOM 712 C LEU A 44 -1.480 -12.332 2.904 1.00 0.81 C ATOM 713 O LEU A 44 -2.673 -12.030 2.865 1.00 1.24 O ATOM 714 CB LEU A 44 0.139 -14.118 3.627 1.00 0.95 C ATOM 715 CG LEU A 44 -0.021 -13.689 5.091 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.253 -14.328 5.712 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.209 -14.053 5.898 1.00 1.66 C ATOM 0 H LEU A 44 -0.342 -13.265 0.818 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.874 -14.439 3.022 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.313 -15.194 3.596 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.029 -13.639 3.219 1.00 0.95 H new ATOM 0 HG LEU A 44 -0.143 -12.606 5.107 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -1.345 -14.008 6.750 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -2.140 -14.021 5.158 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.159 -15.413 5.673 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.072 -13.739 6.933 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.361 -15.132 5.864 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.081 -13.551 5.479 1.00 1.66 H new ATOM 729 N GLY A 45 -0.523 -11.430 3.100 1.00 0.61 N ATOM 730 CA GLY A 45 -0.840 -10.025 3.062 1.00 0.75 C ATOM 731 C GLY A 45 -0.229 -9.230 4.193 1.00 0.61 C ATOM 732 O GLY A 45 0.905 -8.768 4.106 1.00 0.61 O ATOM 0 H GLY A 45 0.456 -11.650 3.282 1.00 0.61 H new ATOM 0 HA2 GLY A 45 -0.498 -9.611 2.113 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -1.923 -9.906 3.090 1.00 0.75 H new ATOM 736 N VAL A 46 -0.983 -9.083 5.260 1.00 0.54 N ATOM 737 CA VAL A 46 -0.641 -8.144 6.313 1.00 0.45 C ATOM 738 C VAL A 46 -0.759 -8.778 7.701 1.00 0.47 C ATOM 739 O VAL A 46 -1.580 -9.668 7.931 1.00 0.60 O ATOM 740 CB VAL A 46 -1.553 -6.893 6.224 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.275 -5.910 7.351 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.384 -6.210 4.874 1.00 0.49 C ATOM 0 H VAL A 46 -1.844 -9.605 5.425 1.00 0.54 H new ATOM 0 HA VAL A 46 0.399 -7.850 6.170 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.584 -7.230 6.327 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.934 -5.048 7.253 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.454 -6.396 8.310 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.237 -5.581 7.299 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -2.030 -5.334 4.826 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.346 -5.902 4.749 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.655 -6.904 4.079 1.00 0.49 H new ATOM 752 N ASP A 47 0.092 -8.319 8.605 1.00 0.41 N ATOM 753 CA ASP A 47 0.036 -8.694 10.005 1.00 0.49 C ATOM 754 C ASP A 47 -0.801 -7.677 10.760 1.00 0.52 C ATOM 755 O ASP A 47 -0.399 -6.520 10.906 1.00 0.57 O ATOM 756 CB ASP A 47 1.442 -8.756 10.601 1.00 0.58 C ATOM 757 CG ASP A 47 1.423 -8.849 12.111 1.00 0.79 C ATOM 758 OD1 ASP A 47 1.259 -9.971 12.635 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.586 -7.810 12.773 1.00 0.95 O ATOM 0 H ASP A 47 0.847 -7.670 8.383 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.417 -9.682 10.092 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.969 -9.618 10.193 1.00 0.58 H new ATOM 0 HB3 ASP A 47 2.001 -7.869 10.301 1.00 0.58 H new ATOM 764 N LYS A 48 -1.971 -8.111 11.203 1.00 0.63 N ATOM 765 CA LYS A 48 -2.934 -7.231 11.850 1.00 0.79 C ATOM 766 C LYS A 48 -2.585 -6.999 13.322 1.00 0.85 C ATOM 767 O LYS A 48 -2.964 -5.978 13.903 1.00 1.06 O ATOM 768 CB LYS A 48 -4.335 -7.836 11.749 1.00 1.01 C ATOM 769 CG LYS A 48 -5.439 -6.815 11.941 1.00 1.38 C ATOM 770 CD LYS A 48 -5.396 -5.770 10.841 1.00 1.34 C ATOM 771 CE LYS A 48 -6.369 -4.638 11.098 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.777 -5.116 11.204 1.00 2.81 N ATOM 0 H LYS A 48 -2.280 -9.080 11.125 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.904 -6.269 11.338 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.451 -8.308 10.774 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.440 -8.621 12.498 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -6.408 -7.314 11.938 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -5.331 -6.333 12.913 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -4.386 -5.369 10.761 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.629 -6.239 9.885 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -6.091 -4.125 12.019 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -6.295 -3.908 10.292 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -8.419 -4.299 11.244 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -8.009 -5.699 10.374 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -7.886 -5.685 12.068 1.00 2.81 H new ATOM 786 N LYS A 49 -1.870 -7.947 13.923 1.00 0.80 N ATOM 787 CA LYS A 49 -1.629 -7.919 15.365 1.00 0.97 C ATOM 788 C LYS A 49 -0.604 -6.846 15.749 1.00 1.14 C ATOM 789 O LYS A 49 -0.754 -6.175 16.772 1.00 1.32 O ATOM 790 CB LYS A 49 -1.183 -9.302 15.873 1.00 1.08 C ATOM 791 CG LYS A 49 0.252 -9.673 15.528 1.00 1.35 C ATOM 792 CD LYS A 49 0.598 -11.075 16.002 1.00 1.66 C ATOM 793 CE LYS A 49 -0.035 -12.142 15.120 1.00 2.40 C ATOM 794 NZ LYS A 49 0.601 -12.199 13.776 1.00 3.17 N ATOM 0 H LYS A 49 -1.449 -8.740 13.438 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.572 -7.661 15.847 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.301 -9.332 16.956 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.849 -10.059 15.459 1.00 1.08 H new ATOM 0 HG2 LYS A 49 0.396 -9.607 14.450 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.934 -8.955 15.985 1.00 1.35 H new ATOM 0 HD2 LYS A 49 1.681 -11.201 16.005 1.00 1.66 H new ATOM 0 HD3 LYS A 49 0.259 -11.205 17.030 1.00 1.66 H new ATOM 0 HE2 LYS A 49 0.054 -13.114 15.605 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -1.100 -11.937 15.009 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 0.109 -12.902 13.189 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 0.539 -11.265 13.323 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 1.600 -12.470 13.876 1.00 3.17 H new ATOM 808 N GLY A 50 0.427 -6.682 14.934 1.00 1.22 N ATOM 809 CA GLY A 50 1.443 -5.691 15.219 1.00 1.53 C ATOM 810 C GLY A 50 1.503 -4.615 14.159 1.00 1.14 C ATOM 811 O GLY A 50 1.648 -3.430 14.468 1.00 1.29 O ATOM 0 H GLY A 50 0.578 -7.218 14.080 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.241 -5.234 16.188 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.414 -6.180 15.294 1.00 1.53 H new ATOM 815 N GLY A 51 1.394 -5.024 12.907 1.00 0.77 N ATOM 816 CA GLY A 51 1.429 -4.076 11.816 1.00 0.65 C ATOM 817 C GLY A 51 2.592 -4.323 10.880 1.00 0.56 C ATOM 818 O GLY A 51 3.559 -3.559 10.862 1.00 0.60 O ATOM 0 H GLY A 51 1.282 -5.998 12.626 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.496 -4.135 11.256 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.497 -3.065 12.218 1.00 0.65 H new ATOM 822 N ARG A 52 2.508 -5.398 10.117 1.00 0.51 N ATOM 823 CA ARG A 52 3.538 -5.731 9.134 1.00 0.53 C ATOM 824 C ARG A 52 2.893 -6.110 7.814 1.00 0.50 C ATOM 825 O ARG A 52 1.733 -6.488 7.785 1.00 0.60 O ATOM 826 CB ARG A 52 4.411 -6.908 9.595 1.00 0.68 C ATOM 827 CG ARG A 52 5.482 -6.564 10.621 1.00 1.04 C ATOM 828 CD ARG A 52 4.897 -6.318 11.999 1.00 1.42 C ATOM 829 NE ARG A 52 5.937 -6.102 13.001 1.00 2.14 N ATOM 830 CZ ARG A 52 5.972 -5.062 13.831 1.00 2.80 C ATOM 831 NH1 ARG A 52 5.051 -4.107 13.742 1.00 2.98 N ATOM 832 NH2 ARG A 52 6.937 -4.970 14.741 1.00 3.72 N ATOM 0 H ARG A 52 1.735 -6.062 10.156 1.00 0.51 H new ATOM 0 HA ARG A 52 4.167 -4.848 9.019 1.00 0.53 H new ATOM 0 HB2 ARG A 52 3.762 -7.676 10.016 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.896 -7.343 8.721 1.00 0.68 H new ATOM 0 HG2 ARG A 52 6.206 -7.377 10.675 1.00 1.04 H new ATOM 0 HG3 ARG A 52 6.024 -5.676 10.294 1.00 1.04 H new ATOM 0 HD2 ARG A 52 4.240 -5.449 11.965 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.283 -7.170 12.290 1.00 1.42 H new ATOM 0 HE ARG A 52 6.685 -6.792 13.069 1.00 2.14 H new ATOM 0 HH11 ARG A 52 4.317 -4.171 13.037 1.00 2.98 H new ATOM 0 HH12 ARG A 52 5.079 -3.311 14.379 1.00 2.98 H new ATOM 0 HH21 ARG A 52 7.650 -5.696 14.803 1.00 3.72 H new ATOM 0 HH22 ARG A 52 6.964 -4.173 15.377 1.00 3.72 H new ATOM 846 N TRP A 53 3.627 -5.993 6.724 1.00 0.52 N ATOM 847 CA TRP A 53 3.183 -6.570 5.460 1.00 0.53 C ATOM 848 C TRP A 53 4.120 -7.704 5.090 1.00 0.57 C ATOM 849 O TRP A 53 5.314 -7.481 4.891 1.00 0.73 O ATOM 850 CB TRP A 53 3.160 -5.547 4.317 1.00 0.65 C ATOM 851 CG TRP A 53 2.224 -4.388 4.511 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.578 -4.022 5.653 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.833 -3.438 3.513 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.813 -2.904 5.429 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.949 -2.527 4.121 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.142 -3.271 2.161 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.376 -1.465 3.426 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.572 -2.216 1.470 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.697 -1.327 2.104 1.00 1.28 C ATOM 0 H TRP A 53 4.524 -5.510 6.683 1.00 0.52 H new ATOM 0 HA TRP A 53 2.162 -6.924 5.598 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.169 -5.159 4.179 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.888 -6.062 3.396 1.00 0.65 H new ATOM 0 HD1 TRP A 53 1.656 -4.537 6.599 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.237 -2.431 6.125 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.815 -3.954 1.663 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.297 -0.775 3.913 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.806 -2.077 0.425 1.00 1.20 H new ATOM 0 HH2 TRP A 53 0.266 -0.515 1.537 1.00 1.28 H new ATOM 870 N TYR A 54 3.592 -8.916 5.021 1.00 0.49 N ATOM 871 CA TYR A 54 4.403 -10.078 4.700 1.00 0.58 C ATOM 872 C TYR A 54 3.513 -11.230 4.261 1.00 0.49 C ATOM 873 O TYR A 54 2.325 -11.289 4.610 1.00 0.52 O ATOM 874 CB TYR A 54 5.273 -10.499 5.898 1.00 0.75 C ATOM 875 CG TYR A 54 4.527 -11.227 6.998 1.00 0.58 C ATOM 876 CD1 TYR A 54 4.735 -12.586 7.218 1.00 0.73 C ATOM 877 CD2 TYR A 54 3.621 -10.562 7.814 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.056 -13.259 8.217 1.00 1.06 C ATOM 879 CE2 TYR A 54 2.942 -11.229 8.814 1.00 0.95 C ATOM 880 CZ TYR A 54 3.162 -12.574 9.013 1.00 1.20 C ATOM 881 OH TYR A 54 2.481 -13.236 10.008 1.00 1.66 O ATOM 0 H TYR A 54 2.606 -9.120 5.183 1.00 0.49 H new ATOM 0 HA TYR A 54 5.070 -9.811 3.880 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.078 -11.140 5.538 1.00 0.75 H new ATOM 0 HB3 TYR A 54 5.739 -9.609 6.321 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.438 -13.123 6.598 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.445 -9.507 7.664 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.225 -14.314 8.373 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.240 -10.697 9.439 1.00 0.95 H new ATOM 0 HH TYR A 54 1.892 -12.607 10.476 1.00 1.66 H new ATOM 891 N GLU A 55 4.076 -12.135 3.477 1.00 0.52 N ATOM 892 CA GLU A 55 3.331 -13.273 3.006 1.00 0.56 C ATOM 893 C GLU A 55 4.192 -14.533 3.048 1.00 0.62 C ATOM 894 O GLU A 55 5.394 -14.463 3.314 1.00 0.81 O ATOM 895 CB GLU A 55 2.823 -12.991 1.600 1.00 0.73 C ATOM 896 CG GLU A 55 1.950 -11.751 1.498 1.00 0.81 C ATOM 897 CD GLU A 55 2.520 -10.709 0.564 1.00 1.51 C ATOM 898 OE1 GLU A 55 2.322 -10.843 -0.667 1.00 1.94 O ATOM 899 OE2 GLU A 55 3.177 -9.776 1.048 1.00 2.12 O ATOM 0 H GLU A 55 5.044 -12.097 3.158 1.00 0.52 H new ATOM 0 HA GLU A 55 2.475 -13.446 3.658 1.00 0.56 H new ATOM 0 HB2 GLU A 55 3.677 -12.878 0.932 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.255 -13.853 1.250 1.00 0.73 H new ATOM 0 HG2 GLU A 55 0.957 -12.039 1.152 1.00 0.81 H new ATOM 0 HG3 GLU A 55 1.828 -11.316 2.490 1.00 0.81 H new ATOM 906 N ILE A 56 3.576 -15.679 2.780 1.00 0.63 N ATOM 907 CA ILE A 56 4.250 -16.964 2.945 1.00 0.68 C ATOM 908 C ILE A 56 5.190 -17.255 1.775 1.00 0.70 C ATOM 909 O ILE A 56 4.756 -17.732 0.730 1.00 0.80 O ATOM 910 CB ILE A 56 3.221 -18.117 3.018 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.027 -17.741 3.905 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.880 -19.392 3.524 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.392 -17.430 5.337 1.00 0.90 C ATOM 0 H ILE A 56 2.614 -15.746 2.448 1.00 0.63 H new ATOM 0 HA ILE A 56 4.821 -16.902 3.872 1.00 0.68 H new ATOM 0 HB ILE A 56 2.847 -18.295 2.010 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.527 -16.874 3.473 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.309 -18.561 3.895 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.140 -20.191 3.568 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.684 -19.679 2.847 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.288 -19.220 4.520 1.00 0.92 H new ATOM 0 HD11 ILE A 56 1.491 -17.174 5.895 1.00 0.90 H new ATOM 0 HD12 ILE A 56 2.864 -18.302 5.790 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.085 -16.589 5.361 1.00 0.90 H new ATOM 925 N ASP A 57 6.478 -17.005 1.958 1.00 0.65 N ATOM 926 CA ASP A 57 7.455 -17.345 0.934 1.00 0.72 C ATOM 927 C ASP A 57 8.082 -18.702 1.253 1.00 0.76 C ATOM 928 O ASP A 57 7.867 -19.243 2.342 1.00 0.96 O ATOM 929 CB ASP A 57 8.529 -16.262 0.828 1.00 0.84 C ATOM 930 CG ASP A 57 9.229 -16.257 -0.525 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.821 -15.479 -1.408 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.177 -17.047 -0.716 1.00 1.97 O ATOM 0 H ASP A 57 6.868 -16.573 2.796 1.00 0.65 H new ATOM 0 HA ASP A 57 6.950 -17.407 -0.030 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.074 -15.287 1.000 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.269 -16.412 1.614 1.00 0.84 H new ATOM 937 N GLU A 58 8.886 -19.213 0.331 1.00 0.87 N ATOM 938 CA GLU A 58 9.345 -20.602 0.360 1.00 1.01 C ATOM 939 C GLU A 58 10.109 -20.975 1.637 1.00 1.04 C ATOM 940 O GLU A 58 9.921 -22.067 2.167 1.00 1.17 O ATOM 941 CB GLU A 58 10.210 -20.888 -0.868 1.00 1.35 C ATOM 942 CG GLU A 58 11.364 -19.916 -1.045 1.00 1.54 C ATOM 943 CD GLU A 58 12.215 -20.240 -2.249 1.00 2.04 C ATOM 944 OE1 GLU A 58 11.874 -19.796 -3.362 1.00 2.43 O ATOM 945 OE2 GLU A 58 13.233 -20.940 -2.084 1.00 2.21 O ATOM 0 H GLU A 58 9.241 -18.678 -0.461 1.00 0.87 H new ATOM 0 HA GLU A 58 8.449 -21.222 0.349 1.00 1.01 H new ATOM 0 HB2 GLU A 58 10.608 -21.900 -0.793 1.00 1.35 H new ATOM 0 HB3 GLU A 58 9.582 -20.858 -1.758 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.970 -18.904 -1.144 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.986 -19.930 -0.150 1.00 1.54 H new ATOM 952 N GLN A 59 10.963 -20.087 2.139 1.00 1.10 N ATOM 953 CA GLN A 59 11.776 -20.419 3.312 1.00 1.36 C ATOM 954 C GLN A 59 11.004 -20.245 4.622 1.00 1.39 C ATOM 955 O GLN A 59 11.575 -20.368 5.703 1.00 1.70 O ATOM 956 CB GLN A 59 13.099 -19.631 3.353 1.00 1.60 C ATOM 957 CG GLN A 59 12.970 -18.113 3.318 1.00 1.69 C ATOM 958 CD GLN A 59 12.689 -17.582 1.927 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.607 -17.345 1.144 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.423 -17.357 1.626 1.00 1.40 N ATOM 0 H GLN A 59 11.111 -19.150 1.764 1.00 1.10 H new ATOM 0 HA GLN A 59 12.025 -21.475 3.210 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.638 -19.910 4.259 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.712 -19.944 2.508 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.168 -17.805 3.989 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.890 -17.665 3.694 1.00 1.69 H new ATOM 0 HE21 GLN A 59 10.692 -17.568 2.305 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.176 -16.972 0.714 1.00 1.40 H new ATOM 969 N GLY A 60 9.708 -19.979 4.528 1.00 1.19 N ATOM 970 CA GLY A 60 8.875 -20.000 5.714 1.00 1.39 C ATOM 971 C GLY A 60 8.556 -18.629 6.281 1.00 1.45 C ATOM 972 O GLY A 60 9.238 -18.155 7.189 1.00 2.29 O ATOM 0 H GLY A 60 9.222 -19.751 3.661 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.940 -20.508 5.478 1.00 1.39 H new ATOM 0 HA3 GLY A 60 9.373 -20.591 6.483 1.00 1.39 H new ATOM 976 N GLU A 61 7.524 -17.999 5.722 1.00 1.11 N ATOM 977 CA GLU A 61 6.900 -16.801 6.304 1.00 1.15 C ATOM 978 C GLU A 61 7.879 -15.654 6.549 1.00 1.26 C ATOM 979 O GLU A 61 7.680 -14.852 7.458 1.00 1.72 O ATOM 980 CB GLU A 61 6.209 -17.158 7.626 1.00 1.33 C ATOM 981 CG GLU A 61 5.171 -18.258 7.501 1.00 1.38 C ATOM 982 CD GLU A 61 4.508 -18.584 8.824 1.00 1.69 C ATOM 983 OE1 GLU A 61 5.124 -19.297 9.644 1.00 1.77 O ATOM 984 OE2 GLU A 61 3.369 -18.125 9.054 1.00 2.31 O ATOM 0 H GLU A 61 7.092 -18.302 4.849 1.00 1.11 H new ATOM 0 HA GLU A 61 6.177 -16.452 5.567 1.00 1.15 H new ATOM 0 HB2 GLU A 61 6.965 -17.466 8.348 1.00 1.33 H new ATOM 0 HB3 GLU A 61 5.731 -16.265 8.027 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.410 -17.955 6.782 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.644 -19.156 7.104 1.00 1.38 H new ATOM 991 N GLU A 62 8.908 -15.548 5.732 1.00 1.06 N ATOM 992 CA GLU A 62 9.871 -14.473 5.895 1.00 1.20 C ATOM 993 C GLU A 62 10.080 -13.706 4.601 1.00 1.00 C ATOM 994 O GLU A 62 10.888 -14.082 3.753 1.00 1.08 O ATOM 995 CB GLU A 62 11.190 -15.012 6.432 1.00 1.54 C ATOM 996 CG GLU A 62 11.172 -15.225 7.935 1.00 1.98 C ATOM 997 CD GLU A 62 12.548 -15.464 8.518 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.306 -14.485 8.680 1.00 2.61 O ATOM 999 OE2 GLU A 62 12.868 -16.626 8.842 1.00 2.56 O ATOM 0 H GLU A 62 9.099 -16.183 4.957 1.00 1.06 H new ATOM 0 HA GLU A 62 9.465 -13.771 6.624 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.419 -15.957 5.939 1.00 1.54 H new ATOM 0 HB3 GLU A 62 11.991 -14.318 6.178 1.00 1.54 H new ATOM 0 HG2 GLU A 62 10.728 -14.353 8.414 1.00 1.98 H new ATOM 0 HG3 GLU A 62 10.533 -16.077 8.167 1.00 1.98 H new ATOM 1006 N HIS A 63 9.300 -12.651 4.447 1.00 0.90 N ATOM 1007 CA HIS A 63 9.414 -11.754 3.312 1.00 0.85 C ATOM 1008 C HIS A 63 9.715 -10.342 3.776 1.00 0.92 C ATOM 1009 O HIS A 63 9.630 -10.047 4.968 1.00 1.22 O ATOM 1010 CB HIS A 63 8.127 -11.750 2.499 1.00 0.96 C ATOM 1011 CG HIS A 63 8.379 -11.926 1.044 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.414 -10.895 0.131 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.630 -13.046 0.353 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.680 -11.387 -1.067 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.814 -12.695 -0.957 1.00 3.37 N ATOM 0 H HIS A 63 8.568 -12.392 5.108 1.00 0.90 H new ATOM 0 HA HIS A 63 10.233 -12.110 2.687 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.474 -12.549 2.852 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.599 -10.811 2.663 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.678 -14.046 0.757 1.00 2.22 H new ATOM 0 HE1 HIS A 63 8.772 -10.816 -1.979 1.00 3.72 H new ATOM 0 HE2 HIS A 63 9.020 -13.338 -1.721 1.00 3.37 H new ATOM 1024 N THR A 64 10.115 -9.496 2.834 1.00 0.97 N ATOM 1025 CA THR A 64 10.262 -8.069 3.077 1.00 1.01 C ATOM 1026 C THR A 64 9.031 -7.515 3.797 1.00 1.50 C ATOM 1027 O THR A 64 7.971 -7.358 3.196 1.00 2.27 O ATOM 1028 CB THR A 64 10.449 -7.328 1.742 1.00 1.03 C ATOM 1029 OG1 THR A 64 9.514 -7.839 0.779 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.866 -7.496 1.217 1.00 1.44 C ATOM 0 H THR A 64 10.346 -9.781 1.882 1.00 0.97 H new ATOM 0 HA THR A 64 11.138 -7.916 3.707 1.00 1.01 H new ATOM 0 HB THR A 64 10.270 -6.266 1.908 1.00 1.03 H new ATOM 0 HG1 THR A 64 8.623 -7.891 1.184 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.970 -6.962 0.272 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.573 -7.092 1.942 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.073 -8.555 1.060 1.00 1.44 H new ATOM 1038 N PHE A 65 9.175 -7.241 5.086 1.00 1.66 N ATOM 1039 CA PHE A 65 8.042 -6.844 5.906 1.00 2.32 C ATOM 1040 C PHE A 65 7.853 -5.331 5.915 1.00 1.96 C ATOM 1041 O PHE A 65 8.736 -4.582 6.331 1.00 2.43 O ATOM 1042 CB PHE A 65 8.194 -7.388 7.339 1.00 3.26 C ATOM 1043 CG PHE A 65 9.484 -7.011 8.025 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.653 -7.712 7.771 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.522 -5.961 8.933 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.834 -7.373 8.405 1.00 6.10 C ATOM 1047 CE2 PHE A 65 10.699 -5.619 9.569 1.00 5.77 C ATOM 1048 CZ PHE A 65 11.856 -6.325 9.305 1.00 6.48 C ATOM 0 H PHE A 65 10.064 -7.287 5.585 1.00 1.66 H new ATOM 0 HA PHE A 65 7.146 -7.279 5.464 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.360 -7.026 7.940 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.118 -8.475 7.310 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.641 -8.533 7.069 1.00 4.99 H new ATOM 0 HD2 PHE A 65 8.620 -5.405 9.144 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.738 -7.926 8.197 1.00 6.10 H new ATOM 0 HE2 PHE A 65 10.715 -4.800 10.273 1.00 5.77 H new ATOM 0 HZ PHE A 65 12.777 -6.058 9.802 1.00 6.48 H new ATOM 1058 N GLY A 66 6.702 -4.892 5.417 1.00 1.23 N ATOM 1059 CA GLY A 66 6.344 -3.488 5.492 1.00 0.93 C ATOM 1060 C GLY A 66 6.107 -3.069 6.926 1.00 0.80 C ATOM 1061 O GLY A 66 5.468 -3.799 7.686 1.00 0.96 O ATOM 0 H GLY A 66 6.009 -5.486 4.961 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.139 -2.882 5.058 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.446 -3.305 4.902 1.00 0.93 H new ATOM 1065 N LEU A 67 6.603 -1.903 7.305 1.00 0.64 N ATOM 1066 CA LEU A 67 6.586 -1.509 8.708 1.00 0.65 C ATOM 1067 C LEU A 67 5.444 -0.548 9.003 1.00 0.51 C ATOM 1068 O LEU A 67 5.575 0.660 8.826 1.00 0.54 O ATOM 1069 CB LEU A 67 7.930 -0.889 9.127 1.00 0.76 C ATOM 1070 CG LEU A 67 8.515 0.152 8.165 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.382 1.147 8.917 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.339 -0.523 7.083 1.00 1.14 C ATOM 0 H LEU A 67 7.018 -1.219 6.672 1.00 0.64 H new ATOM 0 HA LEU A 67 6.427 -2.413 9.295 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.804 -0.422 10.104 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.657 -1.692 9.248 1.00 0.76 H new ATOM 0 HG LEU A 67 7.685 0.683 7.700 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.788 1.878 8.217 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.780 1.659 9.668 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.201 0.619 9.406 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.745 0.233 6.411 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.157 -1.078 7.542 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.707 -1.209 6.519 1.00 1.14 H new ATOM 1084 N ILE A 68 4.317 -1.082 9.448 1.00 0.43 N ATOM 1085 CA ILE A 68 3.177 -0.245 9.774 1.00 0.38 C ATOM 1086 C ILE A 68 3.404 0.455 11.108 1.00 0.45 C ATOM 1087 O ILE A 68 3.642 -0.186 12.135 1.00 0.61 O ATOM 1088 CB ILE A 68 1.855 -1.036 9.837 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.618 -1.824 8.548 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.696 -0.080 10.086 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.357 -2.664 8.583 1.00 0.44 C ATOM 0 H ILE A 68 4.169 -2.081 9.590 1.00 0.43 H new ATOM 0 HA ILE A 68 3.088 0.487 8.971 1.00 0.38 H new ATOM 0 HB ILE A 68 1.922 -1.749 10.658 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.560 -1.129 7.711 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.474 -2.473 8.365 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.237 -0.642 10.130 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.851 0.441 11.031 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.643 0.647 9.276 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.249 -3.197 7.638 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.421 -3.383 9.400 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.507 -2.017 8.736 1.00 0.44 H new ATOM 1103 N ARG A 69 3.334 1.772 11.075 1.00 0.43 N ATOM 1104 CA ARG A 69 3.529 2.598 12.252 1.00 0.55 C ATOM 1105 C ARG A 69 2.195 2.770 12.974 1.00 0.51 C ATOM 1106 O ARG A 69 2.146 2.825 14.200 1.00 0.67 O ATOM 1107 CB ARG A 69 4.087 3.972 11.851 1.00 0.70 C ATOM 1108 CG ARG A 69 4.995 3.938 10.626 1.00 1.19 C ATOM 1109 CD ARG A 69 6.276 3.158 10.880 1.00 0.74 C ATOM 1110 NE ARG A 69 7.324 3.984 11.475 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.497 3.512 11.892 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.724 2.206 11.908 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.428 4.350 12.321 1.00 1.83 N ATOM 0 H ARG A 69 3.139 2.302 10.226 1.00 0.43 H new ATOM 0 HA ARG A 69 4.244 2.113 12.916 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.255 4.648 11.655 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.643 4.387 12.692 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.458 3.489 9.791 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.245 4.958 10.333 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.061 2.318 11.540 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.636 2.741 9.940 1.00 0.74 H new ATOM 0 HE ARG A 69 7.146 4.983 11.577 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.999 1.558 11.600 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.624 1.849 12.228 1.00 2.00 H new ATOM 0 HH21 ARG A 69 9.245 5.353 12.331 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.328 3.992 12.641 1.00 1.83 H new ATOM 1127 N LYS A 70 1.112 2.836 12.196 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.227 2.992 12.754 1.00 0.41 C ATOM 1129 C LYS A 70 -1.273 2.279 11.906 1.00 0.35 C ATOM 1130 O LYS A 70 -1.431 2.573 10.719 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.617 4.472 12.871 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.093 4.665 13.205 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.486 6.126 13.364 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.426 6.873 12.042 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.195 8.148 12.088 1.00 1.53 N ATOM 0 H LYS A 70 1.140 2.784 11.178 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.201 2.544 13.747 1.00 0.41 H new ATOM 0 HB2 LYS A 70 -0.009 4.944 13.643 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.391 4.979 11.933 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.699 4.216 12.418 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.323 4.131 14.127 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -3.495 6.189 13.772 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.821 6.605 14.083 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -1.386 7.085 11.792 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -2.822 6.239 11.249 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -2.647 8.901 11.625 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -4.101 8.025 11.593 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.374 8.410 13.078 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.977 1.340 12.521 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.177 0.765 11.929 1.00 0.36 C ATOM 1151 C VAL A 71 -4.390 1.383 12.612 1.00 0.37 C ATOM 1152 O VAL A 71 -4.828 0.913 13.664 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.245 -0.775 12.090 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.434 -1.338 11.331 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.956 -1.437 11.631 1.00 0.77 C ATOM 0 H VAL A 71 -1.736 0.958 13.436 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.159 0.980 10.861 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.373 -0.994 13.150 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.466 -2.420 11.455 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.354 -0.901 11.720 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.337 -1.097 10.272 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.037 -2.517 11.757 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.783 -1.206 10.580 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.123 -1.063 12.226 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.912 2.456 12.042 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.978 3.203 12.695 1.00 0.36 C ATOM 1167 C ASP A 72 -7.315 2.924 12.039 1.00 0.35 C ATOM 1168 O ASP A 72 -7.917 3.827 11.453 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.688 4.705 12.662 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.147 5.411 13.923 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -6.870 6.426 13.813 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.816 4.946 15.032 1.00 1.42 O ATOM 0 H ASP A 72 -4.620 2.828 11.138 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.023 2.876 13.734 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.618 4.863 12.530 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.184 5.149 11.799 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.742 1.652 12.119 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.054 1.189 11.635 1.00 0.39 C ATOM 1179 C GLU A 73 -9.367 1.715 10.217 1.00 0.38 C ATOM 1180 O GLU A 73 -8.465 2.180 9.518 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.154 1.569 12.650 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.404 3.059 12.818 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.559 3.348 13.748 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.375 3.247 14.981 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.657 3.690 13.256 1.00 0.92 O ATOM 0 H GLU A 73 -7.178 0.907 12.527 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.025 0.102 11.553 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.086 1.094 12.344 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.888 1.151 13.621 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.502 3.535 13.204 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.606 3.503 11.843 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.616 1.563 9.716 1.00 0.33 N ATOM 1193 CA PRO A 74 -11.041 2.268 8.505 1.00 0.32 C ATOM 1194 C PRO A 74 -10.990 3.785 8.684 1.00 0.31 C ATOM 1195 O PRO A 74 -12.014 4.434 8.897 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.483 1.798 8.285 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.583 0.511 9.028 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.665 0.647 10.207 1.00 0.38 C ATOM 0 HA PRO A 74 -10.389 2.052 7.659 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.199 2.529 8.662 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.696 1.660 7.225 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.607 0.324 9.350 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.288 -0.328 8.398 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.182 1.056 11.075 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.251 -0.315 10.507 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.779 4.325 8.632 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.538 5.755 8.759 1.00 0.31 C ATOM 1208 C ASP A 75 -8.156 6.093 8.222 1.00 0.30 C ATOM 1209 O ASP A 75 -8.033 6.763 7.195 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.652 6.211 10.220 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.332 7.688 10.407 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.138 8.034 10.525 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.269 8.514 10.429 1.00 0.50 O ATOM 0 H ASP A 75 -8.929 3.777 8.499 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.297 6.280 8.179 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.663 6.015 10.579 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.975 5.617 10.834 1.00 0.34 H new ATOM 1218 N THR A 76 -7.113 5.612 8.898 1.00 0.28 N ATOM 1219 CA THR A 76 -5.746 5.908 8.479 1.00 0.29 C ATOM 1220 C THR A 76 -4.793 4.736 8.705 1.00 0.29 C ATOM 1221 O THR A 76 -4.901 4.004 9.688 1.00 0.35 O ATOM 1222 CB THR A 76 -5.190 7.160 9.193 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.621 7.196 10.560 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.624 8.431 8.479 1.00 0.35 C ATOM 0 H THR A 76 -7.187 5.023 9.728 1.00 0.28 H new ATOM 0 HA THR A 76 -5.803 6.099 7.407 1.00 0.29 H new ATOM 0 HB THR A 76 -4.102 7.102 9.168 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.516 7.592 10.611 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.220 9.298 9.001 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.251 8.418 7.455 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.712 8.489 8.469 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.860 4.561 7.775 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.822 3.543 7.901 1.00 0.31 C ATOM 1234 C LEU A 77 -1.472 4.166 7.586 1.00 0.33 C ATOM 1235 O LEU A 77 -1.238 4.620 6.470 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.046 2.359 6.943 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.453 1.761 6.910 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.355 2.577 6.001 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.396 0.316 6.446 1.00 0.69 C ATOM 0 H LEU A 77 -3.801 5.115 6.920 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.857 3.165 8.923 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.790 2.684 5.934 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.346 1.568 7.210 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.868 1.787 7.918 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.353 2.138 5.989 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.414 3.601 6.371 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.947 2.579 4.990 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.403 -0.100 6.426 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.966 0.272 5.446 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.778 -0.263 7.133 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.594 4.202 8.565 1.00 0.32 N ATOM 1252 CA VAL A 78 0.742 4.733 8.355 1.00 0.36 C ATOM 1253 C VAL A 78 1.735 3.588 8.276 1.00 0.34 C ATOM 1254 O VAL A 78 1.970 2.912 9.265 1.00 0.36 O ATOM 1255 CB VAL A 78 1.163 5.686 9.487 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.501 6.332 9.175 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.103 6.748 9.721 1.00 0.67 C ATOM 0 H VAL A 78 -0.777 3.872 9.513 1.00 0.32 H new ATOM 0 HA VAL A 78 0.733 5.297 7.422 1.00 0.36 H new ATOM 0 HB VAL A 78 1.268 5.100 10.400 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.780 7.002 9.988 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.261 5.559 9.065 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.424 6.900 8.248 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.423 7.410 10.526 1.00 0.67 H new ATOM 0 HG22 VAL A 78 -0.039 7.328 8.809 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.837 6.270 9.997 1.00 0.67 H new ATOM 1267 N ILE A 79 2.282 3.345 7.101 1.00 0.35 N ATOM 1268 CA ILE A 79 3.214 2.240 6.915 1.00 0.39 C ATOM 1269 C ILE A 79 4.505 2.705 6.233 1.00 0.40 C ATOM 1270 O ILE A 79 4.479 3.561 5.346 1.00 0.43 O ATOM 1271 CB ILE A 79 2.525 1.058 6.163 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.539 0.041 5.596 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.587 1.574 5.079 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.978 0.303 4.166 1.00 0.67 C ATOM 0 H ILE A 79 2.101 3.894 6.260 1.00 0.35 H new ATOM 0 HA ILE A 79 3.507 1.866 7.896 1.00 0.39 H new ATOM 0 HB ILE A 79 1.930 0.519 6.900 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.421 0.035 6.236 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.100 -0.955 5.649 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.120 0.731 4.570 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.816 2.197 5.532 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.153 2.164 4.358 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.689 -0.463 3.858 1.00 0.67 H new ATOM 0 HD12 ILE A 79 3.109 0.278 3.508 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.451 1.283 4.104 1.00 0.67 H new ATOM 1286 N GLY A 80 5.631 2.160 6.693 1.00 0.42 N ATOM 1287 CA GLY A 80 6.932 2.519 6.158 1.00 0.46 C ATOM 1288 C GLY A 80 7.404 1.562 5.077 1.00 0.46 C ATOM 1289 O GLY A 80 6.948 0.412 5.015 1.00 0.50 O ATOM 0 H GLY A 80 5.662 1.465 7.439 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.887 3.529 5.750 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.662 2.535 6.968 1.00 0.46 H new ATOM 1293 N TRP A 81 8.368 2.026 4.281 1.00 0.50 N ATOM 1294 CA TRP A 81 8.737 1.388 3.017 1.00 0.51 C ATOM 1295 C TRP A 81 9.326 -0.004 3.183 1.00 0.53 C ATOM 1296 O TRP A 81 9.880 -0.348 4.220 1.00 0.81 O ATOM 1297 CB TRP A 81 9.743 2.259 2.271 1.00 0.74 C ATOM 1298 CG TRP A 81 9.837 1.944 0.810 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.886 1.372 0.146 1.00 0.74 C ATOM 1300 CD2 TRP A 81 8.826 2.183 -0.163 1.00 1.40 C ATOM 1301 NE1 TRP A 81 10.586 1.239 -1.191 1.00 0.88 N ATOM 1302 CE2 TRP A 81 9.324 1.740 -1.404 1.00 1.44 C ATOM 1303 CE3 TRP A 81 7.546 2.737 -0.102 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 8.579 1.835 -2.573 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 6.809 2.831 -1.263 1.00 2.78 C ATOM 1306 CH2 TRP A 81 7.328 2.384 -2.483 1.00 2.79 C ATOM 0 H TRP A 81 8.917 2.858 4.496 1.00 0.50 H new ATOM 0 HA TRP A 81 7.811 1.281 2.453 1.00 0.51 H new ATOM 0 HB2 TRP A 81 9.465 3.306 2.392 1.00 0.74 H new ATOM 0 HB3 TRP A 81 10.726 2.136 2.725 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.816 1.068 0.604 1.00 0.74 H new ATOM 0 HE1 TRP A 81 11.196 0.837 -1.902 1.00 0.88 H new ATOM 0 HE3 TRP A 81 7.141 3.085 0.837 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 8.972 1.489 -3.517 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 5.817 3.256 -1.230 1.00 2.78 H new ATOM 0 HH2 TRP A 81 6.727 2.474 -3.376 1.00 2.79 H new ATOM 1317 N ARG A 82 9.240 -0.767 2.105 1.00 0.54 N ATOM 1318 CA ARG A 82 9.778 -2.106 2.045 1.00 0.74 C ATOM 1319 C ARG A 82 9.627 -2.635 0.627 1.00 0.81 C ATOM 1320 O ARG A 82 9.415 -3.830 0.402 1.00 1.47 O ATOM 1321 CB ARG A 82 9.094 -3.039 3.041 1.00 1.06 C ATOM 1322 CG ARG A 82 9.997 -4.185 3.447 1.00 1.64 C ATOM 1323 CD ARG A 82 11.265 -3.665 4.106 1.00 2.68 C ATOM 1324 NE ARG A 82 12.317 -4.676 4.153 1.00 3.63 N ATOM 1325 CZ ARG A 82 13.094 -4.895 5.208 1.00 4.53 C ATOM 1326 NH1 ARG A 82 12.950 -4.170 6.310 1.00 4.80 N ATOM 1327 NH2 ARG A 82 14.036 -5.823 5.149 1.00 5.46 N ATOM 0 H ARG A 82 8.789 -0.466 1.241 1.00 0.54 H new ATOM 0 HA ARG A 82 10.833 -2.069 2.318 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.802 -2.475 3.927 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.180 -3.435 2.600 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.468 -4.845 4.135 1.00 1.64 H new ATOM 0 HG3 ARG A 82 10.255 -4.779 2.570 1.00 1.64 H new ATOM 0 HD2 ARG A 82 11.625 -2.794 3.559 1.00 2.68 H new ATOM 0 HD3 ARG A 82 11.036 -3.334 5.119 1.00 2.68 H new ATOM 0 HE ARG A 82 12.465 -5.251 3.323 1.00 3.63 H new ATOM 0 HH11 ARG A 82 12.239 -3.439 6.351 1.00 4.80 H new ATOM 0 HH12 ARG A 82 13.550 -4.343 7.117 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.163 -6.367 4.296 1.00 5.46 H new ATOM 0 HH22 ARG A 82 14.635 -5.994 5.957 1.00 5.46 H new ATOM 1341 N LEU A 83 9.739 -1.708 -0.325 1.00 0.79 N ATOM 1342 CA LEU A 83 9.731 -2.021 -1.748 1.00 0.86 C ATOM 1343 C LEU A 83 8.349 -2.490 -2.222 1.00 0.81 C ATOM 1344 O LEU A 83 7.339 -1.867 -1.903 1.00 1.21 O ATOM 1345 CB LEU A 83 10.802 -3.070 -2.044 1.00 1.23 C ATOM 1346 CG LEU A 83 11.275 -3.128 -3.490 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.937 -1.820 -3.892 1.00 1.55 C ATOM 1348 CD2 LEU A 83 12.224 -4.290 -3.659 1.00 1.28 C ATOM 0 H LEU A 83 9.838 -0.713 -0.125 1.00 0.79 H new ATOM 0 HA LEU A 83 9.958 -1.111 -2.303 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.663 -2.876 -1.405 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.414 -4.050 -1.767 1.00 1.23 H new ATOM 0 HG LEU A 83 10.416 -3.275 -4.144 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.268 -1.883 -4.929 1.00 1.55 H new ATOM 0 HD12 LEU A 83 11.222 -1.004 -3.788 1.00 1.55 H new ATOM 0 HD13 LEU A 83 12.796 -1.634 -3.248 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.564 -4.334 -4.694 1.00 1.28 H new ATOM 0 HD22 LEU A 83 13.082 -4.158 -3.000 1.00 1.28 H new ATOM 0 HD23 LEU A 83 11.712 -5.218 -3.406 1.00 1.28 H new ATOM 1360 N ASN A 84 8.315 -3.574 -2.996 1.00 0.76 N ATOM 1361 CA ASN A 84 7.080 -4.061 -3.600 1.00 1.00 C ATOM 1362 C ASN A 84 7.286 -5.465 -4.162 1.00 1.25 C ATOM 1363 O ASN A 84 7.085 -6.453 -3.471 1.00 1.93 O ATOM 1364 CB ASN A 84 6.613 -3.126 -4.725 1.00 1.26 C ATOM 1365 CG ASN A 84 5.252 -3.504 -5.287 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.354 -3.912 -4.554 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.093 -3.394 -6.599 1.00 0.94 N ATOM 0 H ASN A 84 9.137 -4.134 -3.220 1.00 0.76 H new ATOM 0 HA ASN A 84 6.315 -4.087 -2.824 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.573 -2.104 -4.347 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.348 -3.139 -5.529 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.204 -3.652 -7.028 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.859 -3.052 -7.179 1.00 0.94 H new ATOM 1374 N GLY A 85 7.759 -5.538 -5.406 1.00 1.69 N ATOM 1375 CA GLY A 85 7.841 -6.809 -6.107 1.00 2.21 C ATOM 1376 C GLY A 85 9.021 -7.669 -5.693 1.00 1.96 C ATOM 1377 O GLY A 85 9.325 -8.653 -6.365 1.00 2.40 O ATOM 0 H GLY A 85 8.088 -4.735 -5.942 1.00 1.69 H new ATOM 0 HA2 GLY A 85 6.920 -7.367 -5.935 1.00 2.21 H new ATOM 0 HA3 GLY A 85 7.902 -6.618 -7.178 1.00 2.21 H new ATOM 1381 N PHE A 86 9.694 -7.281 -4.606 1.00 1.79 N ATOM 1382 CA PHE A 86 10.803 -8.050 -4.019 1.00 2.29 C ATOM 1383 C PHE A 86 12.067 -8.025 -4.886 1.00 2.14 C ATOM 1384 O PHE A 86 13.169 -7.838 -4.372 1.00 2.77 O ATOM 1385 CB PHE A 86 10.372 -9.498 -3.741 1.00 3.16 C ATOM 1386 CG PHE A 86 11.427 -10.328 -3.062 1.00 3.79 C ATOM 1387 CD1 PHE A 86 11.802 -10.059 -1.756 1.00 4.45 C ATOM 1388 CD2 PHE A 86 12.044 -11.375 -3.732 1.00 4.03 C ATOM 1389 CE1 PHE A 86 12.774 -10.815 -1.130 1.00 5.26 C ATOM 1390 CE2 PHE A 86 13.016 -12.135 -3.109 1.00 4.80 C ATOM 1391 CZ PHE A 86 13.371 -11.868 -1.808 1.00 5.38 C ATOM 0 H PHE A 86 9.486 -6.419 -4.103 1.00 1.79 H new ATOM 0 HA PHE A 86 11.055 -7.564 -3.076 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.476 -9.487 -3.120 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.100 -9.973 -4.684 1.00 3.16 H new ATOM 0 HD1 PHE A 86 11.329 -9.249 -1.221 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.762 -11.598 -4.750 1.00 4.03 H new ATOM 0 HE1 PHE A 86 13.068 -10.587 -0.116 1.00 5.26 H new ATOM 0 HE2 PHE A 86 13.497 -12.940 -3.645 1.00 4.80 H new ATOM 0 HZ PHE A 86 14.114 -12.477 -1.314 1.00 5.38 H new ATOM 1401 N GLY A 87 11.907 -8.187 -6.194 1.00 1.90 N ATOM 1402 CA GLY A 87 13.049 -8.237 -7.093 1.00 2.08 C ATOM 1403 C GLY A 87 13.600 -6.864 -7.432 1.00 1.87 C ATOM 1404 O GLY A 87 14.004 -6.609 -8.564 1.00 2.30 O ATOM 0 H GLY A 87 11.001 -8.285 -6.652 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.837 -8.836 -6.637 1.00 2.08 H new ATOM 0 HA3 GLY A 87 12.757 -8.742 -8.014 1.00 2.08 H new ATOM 1408 N ARG A 88 13.613 -5.987 -6.441 1.00 1.33 N ATOM 1409 CA ARG A 88 14.134 -4.634 -6.570 1.00 1.18 C ATOM 1410 C ARG A 88 15.000 -4.331 -5.354 1.00 1.09 C ATOM 1411 O ARG A 88 15.219 -5.210 -4.521 1.00 1.21 O ATOM 1412 CB ARG A 88 12.984 -3.623 -6.690 1.00 0.98 C ATOM 1413 CG ARG A 88 12.247 -3.665 -8.021 1.00 1.64 C ATOM 1414 CD ARG A 88 13.121 -3.192 -9.173 1.00 2.32 C ATOM 1415 NE ARG A 88 14.162 -4.156 -9.527 1.00 3.00 N ATOM 1416 CZ ARG A 88 15.299 -3.840 -10.146 1.00 3.96 C ATOM 1417 NH1 ARG A 88 15.543 -2.583 -10.500 1.00 4.44 N ATOM 1418 NH2 ARG A 88 16.184 -4.786 -10.426 1.00 4.77 N ATOM 0 H ARG A 88 13.256 -6.198 -5.509 1.00 1.33 H new ATOM 0 HA ARG A 88 14.736 -4.553 -7.475 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.270 -3.806 -5.887 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.382 -2.619 -6.540 1.00 0.98 H new ATOM 0 HG2 ARG A 88 11.910 -4.683 -8.216 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.356 -3.040 -7.962 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.495 -3.004 -10.045 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.586 -2.244 -8.904 1.00 2.32 H new ATOM 0 HE ARG A 88 14.008 -5.135 -9.284 1.00 3.00 H new ATOM 0 HH11 ARG A 88 14.858 -1.854 -10.298 1.00 4.44 H new ATOM 0 HH12 ARG A 88 16.415 -2.347 -10.974 1.00 4.44 H new ATOM 0 HH21 ARG A 88 15.994 -5.754 -10.168 1.00 4.77 H new ATOM 0 HH22 ARG A 88 17.055 -4.546 -10.900 1.00 4.77 H new ATOM 1432 N ILE A 89 15.485 -3.110 -5.241 1.00 1.08 N ATOM 1433 CA ILE A 89 16.365 -2.756 -4.138 1.00 1.08 C ATOM 1434 C ILE A 89 15.678 -1.760 -3.184 1.00 1.04 C ATOM 1435 O ILE A 89 15.074 -0.779 -3.621 1.00 1.15 O ATOM 1436 CB ILE A 89 17.715 -2.204 -4.685 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.748 -1.983 -3.565 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.492 -0.925 -5.483 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.574 -0.693 -2.797 1.00 1.70 C ATOM 0 H ILE A 89 15.288 -2.350 -5.892 1.00 1.08 H new ATOM 0 HA ILE A 89 16.583 -3.653 -3.558 1.00 1.08 H new ATOM 0 HB ILE A 89 18.127 -2.960 -5.353 1.00 1.29 H new ATOM 0 HG12 ILE A 89 18.691 -2.818 -2.866 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.747 -2.000 -4.001 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.448 -0.557 -5.855 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.830 -1.132 -6.324 1.00 1.11 H new ATOM 0 HG23 ILE A 89 17.038 -0.170 -4.841 1.00 1.11 H new ATOM 0 HD11 ILE A 89 19.344 -0.620 -2.029 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.662 0.152 -3.480 1.00 1.70 H new ATOM 0 HD13 ILE A 89 17.590 -0.679 -2.328 1.00 1.70 H new ATOM 1451 N ASP A 90 15.762 -2.044 -1.882 1.00 1.05 N ATOM 1452 CA ASP A 90 15.173 -1.203 -0.846 1.00 1.15 C ATOM 1453 C ASP A 90 15.884 -1.418 0.490 1.00 1.01 C ATOM 1454 O ASP A 90 15.780 -2.484 1.101 1.00 1.14 O ATOM 1455 CB ASP A 90 13.677 -1.502 -0.679 1.00 1.54 C ATOM 1456 CG ASP A 90 13.169 -1.159 0.710 1.00 2.36 C ATOM 1457 OD1 ASP A 90 12.621 -2.058 1.378 1.00 2.64 O ATOM 1458 OD2 ASP A 90 13.338 -0.002 1.142 1.00 3.18 O ATOM 0 H ASP A 90 16.243 -2.867 -1.519 1.00 1.05 H new ATOM 0 HA ASP A 90 15.293 -0.165 -1.156 1.00 1.15 H new ATOM 0 HB2 ASP A 90 13.111 -0.936 -1.420 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.496 -2.558 -0.878 1.00 1.54 H new ATOM 1463 N PRO A 91 16.673 -0.432 0.919 1.00 1.32 N ATOM 1464 CA PRO A 91 17.184 -0.329 2.273 1.00 1.52 C ATOM 1465 C PRO A 91 16.517 0.826 3.008 1.00 1.24 C ATOM 1466 O PRO A 91 17.015 1.308 4.031 1.00 1.58 O ATOM 1467 CB PRO A 91 18.622 0.042 1.983 1.00 2.16 C ATOM 1468 CG PRO A 91 18.482 1.044 0.873 1.00 2.36 C ATOM 1469 CD PRO A 91 17.237 0.649 0.095 1.00 1.92 C ATOM 0 HA PRO A 91 17.031 -1.218 2.885 1.00 1.52 H new ATOM 0 HB2 PRO A 91 19.115 0.470 2.856 1.00 2.16 H new ATOM 0 HB3 PRO A 91 19.210 -0.823 1.677 1.00 2.16 H new ATOM 0 HG2 PRO A 91 18.387 2.054 1.271 1.00 2.36 H new ATOM 0 HG3 PRO A 91 19.361 1.036 0.229 1.00 2.36 H new ATOM 0 HD2 PRO A 91 16.543 1.483 -0.010 1.00 1.92 H new ATOM 0 HD3 PRO A 91 17.479 0.307 -0.911 1.00 1.92 H new ATOM 1477 N ASP A 92 15.389 1.262 2.473 1.00 1.06 N ATOM 1478 CA ASP A 92 14.867 2.581 2.761 1.00 1.34 C ATOM 1479 C ASP A 92 14.154 2.611 4.099 1.00 1.18 C ATOM 1480 O ASP A 92 14.692 3.110 5.091 1.00 1.61 O ATOM 1481 CB ASP A 92 13.924 2.991 1.639 1.00 1.93 C ATOM 1482 CG ASP A 92 13.641 4.477 1.653 1.00 2.60 C ATOM 1483 OD1 ASP A 92 12.765 4.903 2.437 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.313 5.221 0.902 1.00 2.99 O ATOM 0 H ASP A 92 14.815 0.714 1.832 1.00 1.06 H new ATOM 0 HA ASP A 92 15.695 3.287 2.822 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.360 2.714 0.679 1.00 1.93 H new ATOM 0 HB3 ASP A 92 12.987 2.442 1.734 1.00 1.93 H new ATOM 1489 N ASN A 93 12.938 2.083 4.103 1.00 1.06 N ATOM 1490 CA ASN A 93 12.148 1.873 5.325 1.00 1.26 C ATOM 1491 C ASN A 93 11.534 3.171 5.851 1.00 1.04 C ATOM 1492 O ASN A 93 10.380 3.184 6.283 1.00 1.49 O ATOM 1493 CB ASN A 93 12.989 1.214 6.430 1.00 1.65 C ATOM 1494 CG ASN A 93 13.386 -0.215 6.107 1.00 2.22 C ATOM 1495 OD1 ASN A 93 12.695 -1.165 6.481 1.00 3.06 O ATOM 1496 ND2 ASN A 93 14.507 -0.379 5.417 1.00 2.21 N ATOM 0 H ASN A 93 12.460 1.783 3.253 1.00 1.06 H new ATOM 0 HA ASN A 93 11.334 1.202 5.049 1.00 1.26 H new ATOM 0 HB2 ASN A 93 13.889 1.806 6.594 1.00 1.65 H new ATOM 0 HB3 ASN A 93 12.425 1.226 7.363 1.00 1.65 H new ATOM 0 HD21 ASN A 93 14.826 -1.318 5.177 1.00 2.21 H new ATOM 0 HD22 ASN A 93 15.050 0.434 5.126 1.00 2.21 H new ATOM 1503 N SER A 94 12.290 4.261 5.808 1.00 0.68 N ATOM 1504 CA SER A 94 11.826 5.531 6.348 1.00 0.77 C ATOM 1505 C SER A 94 10.843 6.219 5.403 1.00 0.72 C ATOM 1506 O SER A 94 10.273 7.255 5.747 1.00 1.22 O ATOM 1507 CB SER A 94 13.005 6.455 6.636 1.00 1.19 C ATOM 1508 OG SER A 94 13.845 5.922 7.647 1.00 1.85 O ATOM 0 H SER A 94 13.226 4.290 5.405 1.00 0.68 H new ATOM 0 HA SER A 94 11.304 5.317 7.281 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.582 6.606 5.724 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.636 7.433 6.946 1.00 1.19 H new ATOM 0 HG SER A 94 14.592 6.535 7.808 1.00 1.85 H new ATOM 1514 N SER A 95 10.677 5.672 4.205 1.00 0.60 N ATOM 1515 CA SER A 95 9.615 6.099 3.311 1.00 0.67 C ATOM 1516 C SER A 95 8.260 5.721 3.920 1.00 0.70 C ATOM 1517 O SER A 95 7.615 4.752 3.526 1.00 1.27 O ATOM 1518 CB SER A 95 9.795 5.482 1.918 1.00 0.93 C ATOM 1519 OG SER A 95 8.867 6.012 0.983 1.00 1.44 O ATOM 0 H SER A 95 11.268 4.929 3.832 1.00 0.60 H new ATOM 0 HA SER A 95 9.656 7.182 3.191 1.00 0.67 H new ATOM 0 HB2 SER A 95 10.810 5.667 1.567 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.671 4.401 1.980 1.00 0.93 H new ATOM 0 HG SER A 95 8.111 6.410 1.462 1.00 1.44 H new ATOM 1525 N GLU A 96 7.871 6.497 4.912 1.00 0.48 N ATOM 1526 CA GLU A 96 6.665 6.272 5.684 1.00 0.45 C ATOM 1527 C GLU A 96 5.523 7.141 5.165 1.00 0.45 C ATOM 1528 O GLU A 96 5.651 8.369 5.078 1.00 0.60 O ATOM 1529 CB GLU A 96 6.979 6.595 7.147 1.00 0.56 C ATOM 1530 CG GLU A 96 5.765 6.707 8.053 1.00 1.11 C ATOM 1531 CD GLU A 96 5.786 7.967 8.898 1.00 1.30 C ATOM 1532 OE1 GLU A 96 4.839 8.774 8.787 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.749 8.160 9.668 1.00 1.33 O ATOM 0 H GLU A 96 8.396 7.319 5.210 1.00 0.48 H new ATOM 0 HA GLU A 96 6.345 5.234 5.592 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.638 5.821 7.541 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.531 7.534 7.186 1.00 0.56 H new ATOM 0 HG2 GLU A 96 4.860 6.696 7.446 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.721 5.836 8.706 1.00 1.11 H new ATOM 1540 N PHE A 97 4.417 6.510 4.801 1.00 0.39 N ATOM 1541 CA PHE A 97 3.266 7.235 4.284 1.00 0.40 C ATOM 1542 C PHE A 97 2.028 7.003 5.129 1.00 0.41 C ATOM 1543 O PHE A 97 1.773 5.897 5.605 1.00 0.53 O ATOM 1544 CB PHE A 97 2.980 6.878 2.819 1.00 0.51 C ATOM 1545 CG PHE A 97 3.105 5.420 2.482 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.339 4.851 2.202 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.979 4.610 2.469 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.441 3.504 1.911 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.075 3.269 2.177 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.363 2.734 1.822 1.00 0.63 C ATOM 0 H PHE A 97 4.292 5.499 4.854 1.00 0.39 H new ATOM 0 HA PHE A 97 3.520 8.294 4.335 1.00 0.40 H new ATOM 0 HB2 PHE A 97 1.971 7.207 2.572 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.663 7.442 2.184 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.227 5.466 2.212 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.013 5.038 2.691 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.417 3.069 1.753 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.203 2.632 2.213 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.452 1.712 1.485 1.00 0.63 H new ATOM 1560 N THR A 98 1.282 8.074 5.310 1.00 0.35 N ATOM 1561 CA THR A 98 0.036 8.044 6.035 1.00 0.36 C ATOM 1562 C THR A 98 -1.127 7.966 5.055 1.00 0.33 C ATOM 1563 O THR A 98 -1.387 8.913 4.314 1.00 0.36 O ATOM 1564 CB THR A 98 -0.109 9.307 6.907 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.053 9.455 7.736 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.358 9.239 7.777 1.00 0.40 C ATOM 0 H THR A 98 1.530 8.997 4.953 1.00 0.35 H new ATOM 0 HA THR A 98 0.029 7.166 6.681 1.00 0.36 H new ATOM 0 HB THR A 98 -0.204 10.169 6.247 1.00 0.38 H new ATOM 0 HG1 THR A 98 0.960 10.259 8.289 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.431 10.144 8.380 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.240 9.154 7.142 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.298 8.370 8.433 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.797 6.830 5.025 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.955 6.662 4.170 1.00 0.35 C ATOM 1576 C VAL A 99 -4.175 7.260 4.851 1.00 0.31 C ATOM 1577 O VAL A 99 -4.670 6.710 5.833 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.210 5.164 3.871 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.456 4.975 3.027 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.009 4.536 3.183 1.00 0.87 C ATOM 0 H VAL A 99 -1.559 6.010 5.583 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.767 7.174 3.226 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.366 4.662 4.826 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.607 3.913 2.834 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.320 5.374 3.559 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.338 5.502 2.080 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.213 3.484 2.984 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.817 5.053 2.243 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.135 4.620 3.829 1.00 0.87 H new ATOM 1590 N THR A 100 -4.646 8.388 4.340 1.00 0.31 N ATOM 1591 CA THR A 100 -5.789 9.057 4.930 1.00 0.30 C ATOM 1592 C THR A 100 -7.048 8.810 4.120 1.00 0.26 C ATOM 1593 O THR A 100 -7.214 9.345 3.027 1.00 0.28 O ATOM 1594 CB THR A 100 -5.558 10.573 5.057 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.313 10.823 5.725 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.690 11.226 5.837 1.00 0.36 C ATOM 0 H THR A 100 -4.255 8.855 3.522 1.00 0.31 H new ATOM 0 HA THR A 100 -5.915 8.637 5.928 1.00 0.30 H new ATOM 0 HB THR A 100 -5.529 11.000 4.055 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.171 11.790 5.801 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.507 12.298 5.915 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.634 11.056 5.319 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.741 10.793 6.836 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.925 7.982 4.654 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.204 7.735 4.024 1.00 0.24 C ATOM 1606 C PHE A 101 -10.221 8.770 4.488 1.00 0.25 C ATOM 1607 O PHE A 101 -10.582 8.814 5.667 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.707 6.327 4.348 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.997 5.227 3.607 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -9.110 5.123 2.230 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.231 4.292 4.284 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.471 4.109 1.540 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.589 3.276 3.598 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.708 3.187 2.225 1.00 0.29 C ATOM 0 H PHE A 101 -7.774 7.470 5.523 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.076 7.815 2.944 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.601 6.154 5.419 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.772 6.273 4.120 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.705 5.843 1.688 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.134 4.357 5.358 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.569 4.039 0.467 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.995 2.553 4.136 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.204 2.396 1.689 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.656 9.615 3.569 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.684 10.599 3.859 1.00 0.31 C ATOM 1626 C VAL A 102 -13.039 10.067 3.417 1.00 0.30 C ATOM 1627 O VAL A 102 -13.301 9.921 2.223 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.398 11.941 3.151 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.467 12.971 3.485 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.019 12.460 3.527 1.00 0.54 C ATOM 0 H VAL A 102 -10.310 9.639 2.610 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.687 10.778 4.934 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.420 11.768 2.075 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.242 13.907 2.974 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.440 12.604 3.159 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.485 13.141 4.562 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.835 13.406 3.018 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.969 12.612 4.605 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.263 11.734 3.227 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.887 9.756 4.383 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.180 9.159 4.095 1.00 0.35 C ATOM 1642 C ALA A 103 -16.157 10.198 3.567 1.00 0.39 C ATOM 1643 O ALA A 103 -16.409 11.216 4.212 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.746 8.490 5.337 1.00 0.44 C ATOM 0 H ALA A 103 -13.703 9.907 5.375 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.036 8.403 3.323 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.715 8.048 5.103 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.063 7.710 5.673 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.867 9.232 6.127 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.706 9.929 2.398 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.690 10.802 1.788 1.00 0.57 C ATOM 1652 C ASP A 104 -19.057 10.157 1.891 1.00 0.64 C ATOM 1653 O ASP A 104 -19.391 9.248 1.121 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.360 11.074 0.317 1.00 0.58 C ATOM 1655 CG ASP A 104 -16.082 11.862 0.129 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.109 13.096 0.339 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -15.054 11.262 -0.253 1.00 2.03 O ATOM 0 H ASP A 104 -16.483 9.101 1.846 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.681 11.755 2.317 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -17.275 10.124 -0.211 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -18.186 11.619 -0.139 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.834 10.606 2.859 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.136 10.031 3.081 1.00 0.83 C ATOM 1664 C GLY A 105 -21.048 8.664 3.720 1.00 1.06 C ATOM 1665 O GLY A 105 -20.612 8.532 4.862 1.00 1.97 O ATOM 0 H GLY A 105 -19.584 11.362 3.497 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.721 10.693 3.719 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.665 9.954 2.131 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.450 7.648 2.975 1.00 1.24 N ATOM 1670 CA GLN A 106 -21.422 6.282 3.474 1.00 2.07 C ATOM 1671 C GLN A 106 -21.131 5.293 2.350 1.00 1.73 C ATOM 1672 O GLN A 106 -21.179 4.079 2.556 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.758 5.930 4.128 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.942 6.054 3.182 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.177 5.327 3.675 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.985 4.855 2.876 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -25.336 5.229 4.984 1.00 4.93 N ATOM 0 H GLN A 106 -21.800 7.743 2.022 1.00 1.24 H new ATOM 0 HA GLN A 106 -20.625 6.213 4.214 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.711 4.909 4.508 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -22.918 6.583 4.986 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -24.180 7.109 3.044 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.662 5.660 2.205 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -24.643 5.634 5.614 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -26.151 4.748 5.364 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.855 5.807 1.156 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.563 4.951 0.010 1.00 0.48 C ATOM 1688 C LYS A 107 -19.316 5.412 -0.738 1.00 0.38 C ATOM 1689 O LYS A 107 -18.796 4.687 -1.579 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.742 4.920 -0.968 1.00 0.72 C ATOM 1691 CG LYS A 107 -23.025 4.324 -0.406 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.895 2.829 -0.157 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.243 2.200 0.165 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.836 2.743 1.417 1.00 3.53 N ATOM 0 H LYS A 107 -20.827 6.807 0.956 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.388 3.951 0.406 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.946 5.938 -1.300 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.449 4.350 -1.849 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.280 4.826 0.527 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.845 4.506 -1.101 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.468 2.348 -1.037 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -22.204 2.655 0.668 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.929 2.373 -0.664 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.124 1.121 0.260 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -25.642 2.152 1.704 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -24.119 2.741 2.170 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -25.162 3.717 1.253 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.828 6.604 -0.439 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.680 7.137 -1.156 1.00 0.29 C ATOM 1710 C LYS A 108 -16.554 7.435 -0.177 1.00 0.27 C ATOM 1711 O LYS A 108 -16.804 7.671 1.001 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.081 8.411 -1.912 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.994 8.977 -2.815 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.338 10.388 -3.269 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.221 11.009 -4.091 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.141 10.437 -5.463 1.00 2.44 N ATOM 0 H LYS A 108 -19.203 7.216 0.286 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.332 6.398 -1.877 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.963 8.198 -2.516 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.368 9.173 -1.188 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.043 8.985 -2.283 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.868 8.333 -3.685 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.254 10.366 -3.860 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.536 11.011 -2.397 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -16.378 12.086 -4.158 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.270 10.857 -3.581 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -15.365 10.892 -5.984 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -15.965 9.414 -5.403 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -17.038 10.605 -5.962 1.00 2.44 H new ATOM 1730 N THR A 109 -15.321 7.383 -0.654 1.00 0.26 N ATOM 1731 CA THR A 109 -14.165 7.710 0.169 1.00 0.25 C ATOM 1732 C THR A 109 -12.971 8.099 -0.693 1.00 0.26 C ATOM 1733 O THR A 109 -12.508 7.317 -1.519 1.00 0.35 O ATOM 1734 CB THR A 109 -13.774 6.526 1.080 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.823 6.269 2.012 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.481 6.803 1.835 1.00 0.42 C ATOM 0 H THR A 109 -15.093 7.116 -1.612 1.00 0.26 H new ATOM 0 HA THR A 109 -14.446 8.559 0.793 1.00 0.25 H new ATOM 0 HB THR A 109 -13.616 5.654 0.445 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.498 6.976 1.947 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.238 5.948 2.466 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.673 6.971 1.123 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.606 7.689 2.457 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.499 9.315 -0.521 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.280 9.753 -1.169 1.00 0.27 C ATOM 1746 C ARG A 110 -10.102 9.551 -0.226 1.00 0.26 C ATOM 1747 O ARG A 110 -10.111 10.046 0.896 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.395 11.227 -1.567 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.060 11.886 -1.880 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.424 11.306 -3.126 1.00 0.62 C ATOM 1751 NE ARG A 110 -10.074 11.783 -4.342 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.641 11.517 -5.570 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -8.592 10.725 -5.748 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -10.264 12.037 -6.618 1.00 2.59 N ATOM 0 H ARG A 110 -12.943 10.022 0.065 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.120 9.163 -2.071 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.043 11.308 -2.440 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.879 11.775 -0.759 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.206 12.958 -2.012 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.385 11.758 -1.034 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.367 11.572 -3.151 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.478 10.218 -3.088 1.00 0.62 H new ATOM 0 HE ARG A 110 -10.912 12.356 -4.244 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.117 10.319 -4.942 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -8.261 10.522 -6.691 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -11.075 12.641 -6.482 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -9.933 11.834 -7.561 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.098 8.807 -0.662 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.906 8.648 0.147 1.00 0.27 C ATOM 1770 C VAL A 111 -6.818 9.597 -0.322 1.00 0.29 C ATOM 1771 O VAL A 111 -6.582 9.744 -1.527 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.357 7.206 0.126 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.891 6.826 -1.259 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.217 7.051 1.113 1.00 0.33 C ATOM 0 H VAL A 111 -9.085 8.313 -1.554 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.197 8.880 1.171 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.168 6.538 0.417 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.509 5.805 -1.247 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.727 6.892 -1.955 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.100 7.506 -1.576 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.845 6.027 1.082 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.412 7.737 0.850 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.573 7.277 2.118 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.177 10.239 0.630 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.037 11.073 0.347 1.00 0.37 C ATOM 1786 C ASP A 112 -3.880 10.661 1.246 1.00 0.37 C ATOM 1787 O ASP A 112 -3.964 10.707 2.470 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.373 12.563 0.501 1.00 0.50 C ATOM 1789 CG ASP A 112 -5.624 12.998 1.931 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -4.737 13.630 2.536 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -6.701 12.664 2.474 1.00 1.38 O ATOM 0 H ASP A 112 -6.432 10.196 1.617 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.744 10.931 -0.693 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -4.553 13.153 0.092 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -6.257 12.788 -0.096 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.830 10.178 0.623 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.646 9.761 1.342 1.00 0.41 C ATOM 1798 C VAL A 113 -0.689 10.916 1.492 1.00 0.43 C ATOM 1799 O VAL A 113 -0.267 11.503 0.498 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.942 8.578 0.634 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.571 8.592 0.841 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.518 7.275 1.134 1.00 0.77 C ATOM 0 H VAL A 113 -2.771 10.063 -0.389 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.960 9.425 2.331 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.121 8.682 -0.436 1.00 0.50 H new ATOM 0 HG11 VAL A 113 1.017 7.742 0.324 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.984 9.518 0.440 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.793 8.526 1.906 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.022 6.443 0.635 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.363 7.198 2.210 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.586 7.243 0.918 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.376 11.241 2.734 1.00 0.47 N ATOM 1813 CA GLU A 114 0.676 12.182 3.031 1.00 0.55 C ATOM 1814 C GLU A 114 1.882 11.420 3.527 1.00 0.60 C ATOM 1815 O GLU A 114 1.764 10.488 4.318 1.00 0.62 O ATOM 1816 CB GLU A 114 0.237 13.216 4.058 1.00 0.67 C ATOM 1817 CG GLU A 114 -0.840 14.150 3.543 1.00 1.31 C ATOM 1818 CD GLU A 114 -1.115 15.294 4.494 1.00 1.75 C ATOM 1819 OE1 GLU A 114 -2.032 15.172 5.332 1.00 2.31 O ATOM 1820 OE2 GLU A 114 -0.409 16.323 4.409 1.00 2.05 O ATOM 0 H GLU A 114 -0.844 10.860 3.556 1.00 0.47 H new ATOM 0 HA GLU A 114 0.926 12.727 2.121 1.00 0.55 H new ATOM 0 HB2 GLU A 114 -0.131 12.703 4.946 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.102 13.804 4.365 1.00 0.67 H new ATOM 0 HG2 GLU A 114 -0.537 14.550 2.575 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -1.759 13.586 3.382 1.00 1.31 H new ATOM 1827 N HIS A 115 3.032 11.799 3.041 1.00 0.70 N ATOM 1828 CA HIS A 115 4.240 11.045 3.279 1.00 0.80 C ATOM 1829 C HIS A 115 5.338 11.945 3.809 1.00 0.89 C ATOM 1830 O HIS A 115 5.338 13.151 3.558 1.00 1.17 O ATOM 1831 CB HIS A 115 4.670 10.425 1.959 1.00 0.92 C ATOM 1832 CG HIS A 115 5.798 9.456 2.017 1.00 0.87 C ATOM 1833 ND1 HIS A 115 7.101 9.844 2.162 1.00 1.59 N ATOM 1834 CD2 HIS A 115 5.819 8.114 1.883 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.873 8.787 2.117 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.124 7.722 1.947 1.00 1.47 N ATOM 0 H HIS A 115 3.162 12.635 2.471 1.00 0.70 H new ATOM 0 HA HIS A 115 4.054 10.272 4.025 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.808 9.920 1.523 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.946 11.230 1.278 1.00 0.92 H new ATOM 0 HD1 HIS A 115 7.421 10.805 2.286 1.00 1.59 H new ATOM 0 HD2 HIS A 115 4.962 7.470 1.750 1.00 1.36 H new ATOM 0 HE1 HIS A 115 8.949 8.791 2.205 1.00 1.64 H new ATOM 1845 N THR A 116 6.253 11.350 4.552 1.00 0.90 N ATOM 1846 CA THR A 116 7.483 12.011 4.950 1.00 1.08 C ATOM 1847 C THR A 116 8.352 12.316 3.709 1.00 0.83 C ATOM 1848 O THR A 116 7.851 12.418 2.587 1.00 1.67 O ATOM 1849 CB THR A 116 8.258 11.109 5.935 1.00 1.92 C ATOM 1850 OG1 THR A 116 9.463 11.749 6.387 1.00 2.67 O ATOM 1851 CG2 THR A 116 8.592 9.791 5.264 1.00 2.51 C ATOM 0 H THR A 116 6.165 10.394 4.897 1.00 0.90 H new ATOM 0 HA THR A 116 7.240 12.953 5.441 1.00 1.08 H new ATOM 0 HB THR A 116 7.626 10.927 6.804 1.00 1.92 H new ATOM 0 HG1 THR A 116 9.335 12.721 6.392 1.00 2.67 H new ATOM 0 HG21 THR A 116 9.139 9.156 5.961 1.00 2.51 H new ATOM 0 HG22 THR A 116 7.671 9.291 4.964 1.00 2.51 H new ATOM 0 HG23 THR A 116 9.207 9.977 4.383 1.00 2.51 H new ATOM 1859 N HIS A 117 9.654 12.404 3.903 1.00 0.72 N ATOM 1860 CA HIS A 117 10.556 12.887 2.866 1.00 1.13 C ATOM 1861 C HIS A 117 11.905 12.157 2.853 1.00 0.90 C ATOM 1862 O HIS A 117 12.934 12.776 2.596 1.00 0.97 O ATOM 1863 CB HIS A 117 10.778 14.394 3.054 1.00 1.98 C ATOM 1864 CG HIS A 117 11.016 14.801 4.482 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.095 15.510 5.219 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.069 14.590 5.306 1.00 2.33 C ATOM 1867 CE1 HIS A 117 10.569 15.717 6.431 1.00 2.60 C ATOM 1868 NE2 HIS A 117 11.764 15.168 6.514 1.00 2.63 N ATOM 0 H HIS A 117 10.117 12.146 4.775 1.00 0.72 H new ATOM 0 HA HIS A 117 10.085 12.684 1.904 1.00 1.13 H new ATOM 0 HB2 HIS A 117 11.632 14.704 2.451 1.00 1.98 H new ATOM 0 HB3 HIS A 117 9.908 14.930 2.674 1.00 1.98 H new ATOM 0 HD2 HIS A 117 12.980 14.065 5.059 1.00 2.33 H new ATOM 0 HE1 HIS A 117 10.063 16.248 7.224 1.00 2.60 H new ATOM 0 HE2 HIS A 117 12.364 15.172 7.339 1.00 2.63 H new ATOM 1877 N PHE A 118 11.911 10.850 3.107 1.00 0.76 N ATOM 1878 CA PHE A 118 13.149 10.079 2.986 1.00 0.76 C ATOM 1879 C PHE A 118 13.519 9.925 1.508 1.00 0.65 C ATOM 1880 O PHE A 118 14.693 9.975 1.133 1.00 0.74 O ATOM 1881 CB PHE A 118 13.017 8.705 3.668 1.00 0.97 C ATOM 1882 CG PHE A 118 14.340 8.128 4.090 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.287 8.923 4.716 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.628 6.788 3.881 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.498 8.393 5.123 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.837 6.254 4.285 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.773 7.057 4.906 1.00 3.54 C ATOM 0 H PHE A 118 11.093 10.311 3.392 1.00 0.76 H new ATOM 0 HA PHE A 118 13.948 10.619 3.495 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.373 8.800 4.542 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.526 8.012 2.985 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.077 9.968 4.888 1.00 2.35 H new ATOM 0 HD2 PHE A 118 13.899 6.154 3.397 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.228 9.023 5.610 1.00 3.18 H new ATOM 0 HE2 PHE A 118 16.050 5.209 4.115 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.718 6.641 5.221 1.00 3.54 H new ATOM 1897 N ASP A 119 12.494 9.780 0.678 1.00 0.66 N ATOM 1898 CA ASP A 119 12.643 9.678 -0.771 1.00 0.75 C ATOM 1899 C ASP A 119 13.056 11.016 -1.358 1.00 0.74 C ATOM 1900 O ASP A 119 13.708 11.074 -2.400 1.00 0.83 O ATOM 1901 CB ASP A 119 11.322 9.266 -1.423 1.00 0.94 C ATOM 1902 CG ASP A 119 10.465 8.397 -0.532 1.00 1.34 C ATOM 1903 OD1 ASP A 119 10.194 7.240 -0.926 1.00 1.75 O ATOM 1904 OD2 ASP A 119 10.083 8.843 0.566 1.00 1.81 O ATOM 0 H ASP A 119 11.525 9.729 0.993 1.00 0.66 H new ATOM 0 HA ASP A 119 13.407 8.927 -0.969 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.763 10.162 -1.693 1.00 0.94 H new ATOM 0 HB3 ASP A 119 11.532 8.730 -2.349 1.00 0.94 H new ATOM 1909 N ARG A 120 12.644 12.089 -0.682 1.00 0.76 N ATOM 1910 CA ARG A 120 12.880 13.463 -1.137 1.00 0.89 C ATOM 1911 C ARG A 120 14.364 13.729 -1.391 1.00 0.83 C ATOM 1912 O ARG A 120 14.725 14.651 -2.127 1.00 1.00 O ATOM 1913 CB ARG A 120 12.338 14.459 -0.112 1.00 1.07 C ATOM 1914 CG ARG A 120 12.572 15.910 -0.492 1.00 1.50 C ATOM 1915 CD ARG A 120 11.998 16.862 0.539 1.00 1.71 C ATOM 1916 NE ARG A 120 12.397 18.241 0.272 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.843 19.306 0.844 1.00 2.66 C ATOM 1918 NH1 ARG A 120 10.827 19.165 1.686 1.00 2.90 N ATOM 1919 NH2 ARG A 120 12.311 20.517 0.567 1.00 3.38 N ATOM 0 H ARG A 120 12.135 12.031 0.200 1.00 0.76 H new ATOM 0 HA ARG A 120 12.352 13.592 -2.082 1.00 0.89 H new ATOM 0 HB2 ARG A 120 11.268 14.293 0.013 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.806 14.265 0.853 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.642 16.090 -0.597 1.00 1.50 H new ATOM 0 HG3 ARG A 120 12.118 16.109 -1.463 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.910 16.790 0.537 1.00 1.71 H new ATOM 0 HD3 ARG A 120 12.335 16.570 1.534 1.00 1.71 H new ATOM 0 HE ARG A 120 13.150 18.398 -0.397 1.00 2.15 H new ATOM 0 HH11 ARG A 120 10.466 18.235 1.898 1.00 2.90 H new ATOM 0 HH12 ARG A 120 10.407 19.987 2.121 1.00 2.90 H new ATOM 0 HH21 ARG A 120 13.091 20.626 -0.081 1.00 3.38 H new ATOM 0 HH22 ARG A 120 11.891 21.338 1.002 1.00 3.38 H new ATOM 1933 N MET A 121 15.221 12.907 -0.794 1.00 0.73 N ATOM 1934 CA MET A 121 16.662 13.018 -1.002 1.00 0.91 C ATOM 1935 C MET A 121 17.021 12.690 -2.450 1.00 1.12 C ATOM 1936 O MET A 121 18.188 12.769 -2.846 1.00 1.41 O ATOM 1937 CB MET A 121 17.417 12.103 -0.039 1.00 1.05 C ATOM 1938 CG MET A 121 17.274 12.520 1.413 1.00 1.28 C ATOM 1939 SD MET A 121 17.787 14.228 1.685 1.00 2.15 S ATOM 1940 CE MET A 121 17.339 14.441 3.404 1.00 2.43 C ATOM 0 H MET A 121 14.943 12.156 -0.162 1.00 0.73 H new ATOM 0 HA MET A 121 16.960 14.047 -0.799 1.00 0.91 H new ATOM 0 HB2 MET A 121 17.052 11.082 -0.155 1.00 1.05 H new ATOM 0 HB3 MET A 121 18.474 12.096 -0.307 1.00 1.05 H new ATOM 0 HG2 MET A 121 16.236 12.400 1.723 1.00 1.28 H new ATOM 0 HG3 MET A 121 17.872 11.859 2.040 1.00 1.28 H new ATOM 0 HE1 MET A 121 17.594 15.451 3.724 1.00 2.43 H new ATOM 0 HE2 MET A 121 16.267 14.282 3.523 1.00 2.43 H new ATOM 0 HE3 MET A 121 17.882 13.719 4.014 1.00 2.43 H new ATOM 1950 N GLY A 122 16.005 12.282 -3.211 1.00 1.18 N ATOM 1951 CA GLY A 122 16.121 12.147 -4.646 1.00 1.61 C ATOM 1952 C GLY A 122 17.298 11.311 -5.063 1.00 1.21 C ATOM 1953 O GLY A 122 17.609 10.311 -4.416 1.00 1.30 O ATOM 0 H GLY A 122 15.085 12.039 -2.843 1.00 1.18 H new ATOM 0 HA2 GLY A 122 15.208 11.700 -5.039 1.00 1.61 H new ATOM 0 HA3 GLY A 122 16.209 13.137 -5.093 1.00 1.61 H new ATOM 1957 N THR A 123 17.937 11.739 -6.146 1.00 1.27 N ATOM 1958 CA THR A 123 19.154 11.120 -6.659 1.00 1.42 C ATOM 1959 C THR A 123 19.087 9.590 -6.622 1.00 1.27 C ATOM 1960 O THR A 123 18.274 8.970 -7.316 1.00 1.24 O ATOM 1961 CB THR A 123 20.405 11.617 -5.892 1.00 1.94 C ATOM 1962 OG1 THR A 123 20.256 11.399 -4.481 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.649 13.096 -6.143 1.00 2.58 C ATOM 0 H THR A 123 17.621 12.535 -6.699 1.00 1.27 H new ATOM 0 HA THR A 123 19.239 11.424 -7.702 1.00 1.42 H new ATOM 0 HB THR A 123 21.259 11.048 -6.259 1.00 1.94 H new ATOM 0 HG1 THR A 123 19.620 12.049 -4.115 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.533 13.418 -5.592 1.00 2.58 H new ATOM 0 HG22 THR A 123 20.805 13.263 -7.209 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.785 13.669 -5.808 1.00 2.58 H new ATOM 1971 N LYS A 124 19.904 8.997 -5.766 1.00 1.28 N ATOM 1972 CA LYS A 124 20.022 7.556 -5.684 1.00 1.24 C ATOM 1973 C LYS A 124 18.844 6.958 -4.924 1.00 1.05 C ATOM 1974 O LYS A 124 18.319 5.918 -5.316 1.00 1.04 O ATOM 1975 CB LYS A 124 21.350 7.189 -5.019 1.00 1.43 C ATOM 1976 CG LYS A 124 21.623 5.693 -4.936 1.00 2.04 C ATOM 1977 CD LYS A 124 23.063 5.419 -4.527 1.00 2.45 C ATOM 1978 CE LYS A 124 23.393 6.035 -3.175 1.00 3.14 C ATOM 1979 NZ LYS A 124 24.855 6.027 -2.905 1.00 3.80 N ATOM 0 H LYS A 124 20.501 9.502 -5.112 1.00 1.28 H new ATOM 0 HA LYS A 124 20.006 7.139 -6.691 1.00 1.24 H new ATOM 0 HB2 LYS A 124 22.161 7.663 -5.571 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.364 7.604 -4.011 1.00 1.43 H new ATOM 0 HG2 LYS A 124 20.944 5.236 -4.216 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.422 5.230 -5.902 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.231 4.343 -4.487 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.738 5.819 -5.283 1.00 2.45 H new ATOM 0 HE2 LYS A 124 23.023 7.060 -3.143 1.00 3.14 H new ATOM 0 HE3 LYS A 124 22.876 5.485 -2.389 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 25.039 6.455 -1.975 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 25.204 5.047 -2.910 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 25.347 6.573 -3.641 1.00 3.80 H new ATOM 1993 N HIS A 125 18.415 7.626 -3.855 1.00 0.96 N ATOM 1994 CA HIS A 125 17.304 7.134 -3.043 1.00 0.85 C ATOM 1995 C HIS A 125 16.034 7.020 -3.867 1.00 0.76 C ATOM 1996 O HIS A 125 15.418 5.960 -3.934 1.00 0.76 O ATOM 1997 CB HIS A 125 17.042 8.056 -1.849 1.00 0.85 C ATOM 1998 CG HIS A 125 17.416 7.458 -0.531 1.00 1.23 C ATOM 1999 ND1 HIS A 125 16.555 6.685 0.227 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.573 7.520 0.168 1.00 1.80 C ATOM 2001 CE1 HIS A 125 17.170 6.302 1.326 1.00 2.14 C ATOM 2002 NE2 HIS A 125 18.390 6.794 1.317 1.00 2.12 N ATOM 0 H HIS A 125 18.818 8.506 -3.532 1.00 0.96 H new ATOM 0 HA HIS A 125 17.587 6.146 -2.679 1.00 0.85 H new ATOM 0 HB2 HIS A 125 17.599 8.982 -1.988 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.985 8.320 -1.831 1.00 0.85 H new ATOM 0 HD1 HIS A 125 15.595 6.449 -0.026 1.00 1.80 H new ATOM 0 HD2 HIS A 125 19.472 8.043 -0.124 1.00 1.80 H new ATOM 0 HE1 HIS A 125 16.744 5.687 2.105 1.00 2.14 H new ATOM 2011 N ALA A 126 15.670 8.109 -4.525 1.00 0.77 N ATOM 2012 CA ALA A 126 14.431 8.152 -5.281 1.00 0.80 C ATOM 2013 C ALA A 126 14.509 7.265 -6.514 1.00 0.86 C ATOM 2014 O ALA A 126 13.511 6.678 -6.923 1.00 0.92 O ATOM 2015 CB ALA A 126 14.085 9.579 -5.671 1.00 0.92 C ATOM 0 H ALA A 126 16.214 8.972 -4.550 1.00 0.77 H new ATOM 0 HA ALA A 126 13.637 7.769 -4.640 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.153 9.586 -6.236 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.968 10.184 -4.772 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.885 9.993 -6.285 1.00 0.92 H new ATOM 2021 N LYS A 127 15.695 7.163 -7.108 1.00 0.92 N ATOM 2022 CA LYS A 127 15.867 6.333 -8.290 1.00 1.05 C ATOM 2023 C LYS A 127 15.761 4.850 -7.940 1.00 0.97 C ATOM 2024 O LYS A 127 15.008 4.109 -8.570 1.00 1.04 O ATOM 2025 CB LYS A 127 17.215 6.602 -8.957 1.00 1.26 C ATOM 2026 CG LYS A 127 17.321 6.006 -10.349 1.00 1.55 C ATOM 2027 CD LYS A 127 18.757 5.986 -10.842 1.00 1.93 C ATOM 2028 CE LYS A 127 19.591 4.961 -10.089 1.00 2.38 C ATOM 2029 NZ LYS A 127 20.989 4.904 -10.588 1.00 2.83 N ATOM 0 H LYS A 127 16.540 7.640 -6.793 1.00 0.92 H new ATOM 0 HA LYS A 127 15.068 6.591 -8.986 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.376 7.678 -9.016 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.010 6.195 -8.333 1.00 1.26 H new ATOM 0 HG2 LYS A 127 16.924 4.991 -10.342 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.707 6.583 -11.040 1.00 1.55 H new ATOM 0 HD2 LYS A 127 18.774 5.758 -11.908 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.198 6.975 -10.721 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.595 5.207 -9.027 1.00 2.38 H new ATOM 0 HE3 LYS A 127 19.131 3.978 -10.187 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 21.522 4.193 -10.047 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 20.988 4.644 -11.595 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 21.437 5.835 -10.471 1.00 2.83 H new ATOM 2043 N ARG A 128 16.499 4.427 -6.917 1.00 0.94 N ATOM 2044 CA ARG A 128 16.582 3.012 -6.568 1.00 1.00 C ATOM 2045 C ARG A 128 15.236 2.492 -6.062 1.00 0.97 C ATOM 2046 O ARG A 128 14.875 1.338 -6.304 1.00 1.09 O ATOM 2047 CB ARG A 128 17.693 2.776 -5.532 1.00 1.14 C ATOM 2048 CG ARG A 128 17.337 3.170 -4.104 1.00 1.11 C ATOM 2049 CD ARG A 128 18.585 3.385 -3.254 1.00 1.34 C ATOM 2050 NE ARG A 128 19.603 2.362 -3.489 1.00 1.59 N ATOM 2051 CZ ARG A 128 20.694 2.202 -2.742 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.883 2.944 -1.658 1.00 2.14 N ATOM 2053 NH2 ARG A 128 21.587 1.280 -3.075 1.00 2.59 N ATOM 0 H ARG A 128 17.047 5.043 -6.316 1.00 0.94 H new ATOM 0 HA ARG A 128 16.834 2.452 -7.469 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.963 1.720 -5.545 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.578 3.335 -5.837 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.742 4.083 -4.115 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.719 2.393 -3.655 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.004 4.367 -3.471 1.00 1.34 H new ATOM 0 HD3 ARG A 128 18.308 3.383 -2.200 1.00 1.34 H new ATOM 0 HE ARG A 128 19.469 1.729 -4.277 1.00 1.59 H new ATOM 0 HH11 ARG A 128 20.190 3.643 -1.391 1.00 2.14 H new ATOM 0 HH12 ARG A 128 21.721 2.815 -1.091 1.00 2.14 H new ATOM 0 HH21 ARG A 128 21.436 0.698 -3.899 1.00 2.59 H new ATOM 0 HH22 ARG A 128 22.425 1.153 -2.507 1.00 2.59 H new ATOM 2067 N VAL A 129 14.488 3.357 -5.391 1.00 0.91 N ATOM 2068 CA VAL A 129 13.164 3.007 -4.894 1.00 1.04 C ATOM 2069 C VAL A 129 12.130 3.057 -6.018 1.00 1.04 C ATOM 2070 O VAL A 129 11.158 2.294 -6.017 1.00 1.19 O ATOM 2071 CB VAL A 129 12.746 3.952 -3.742 1.00 1.16 C ATOM 2072 CG1 VAL A 129 11.281 3.781 -3.384 1.00 1.43 C ATOM 2073 CG2 VAL A 129 13.619 3.713 -2.521 1.00 1.48 C ATOM 0 H VAL A 129 14.777 4.311 -5.177 1.00 0.91 H new ATOM 0 HA VAL A 129 13.208 1.988 -4.511 1.00 1.04 H new ATOM 0 HB VAL A 129 12.887 4.977 -4.085 1.00 1.16 H new ATOM 0 HG11 VAL A 129 11.023 4.460 -2.572 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.665 4.006 -4.255 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.101 2.753 -3.068 1.00 1.43 H new ATOM 0 HG21 VAL A 129 13.314 4.385 -1.718 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.509 2.680 -2.191 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.662 3.903 -2.776 1.00 1.48 H new ATOM 2083 N ARG A 130 12.369 3.933 -6.990 1.00 0.99 N ATOM 2084 CA ARG A 130 11.463 4.112 -8.124 1.00 1.14 C ATOM 2085 C ARG A 130 11.233 2.797 -8.864 1.00 1.05 C ATOM 2086 O ARG A 130 10.139 2.540 -9.366 1.00 1.24 O ATOM 2087 CB ARG A 130 12.027 5.157 -9.091 1.00 1.30 C ATOM 2088 CG ARG A 130 11.074 5.537 -10.213 1.00 1.75 C ATOM 2089 CD ARG A 130 11.705 6.532 -11.173 1.00 1.86 C ATOM 2090 NE ARG A 130 12.162 7.745 -10.491 1.00 2.36 N ATOM 2091 CZ ARG A 130 12.247 8.941 -11.078 1.00 2.92 C ATOM 2092 NH1 ARG A 130 11.873 9.092 -12.344 1.00 3.04 N ATOM 2093 NH2 ARG A 130 12.702 9.988 -10.398 1.00 3.83 N ATOM 0 H ARG A 130 13.191 4.536 -7.016 1.00 0.99 H new ATOM 0 HA ARG A 130 10.505 4.457 -7.734 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.287 6.054 -8.529 1.00 1.30 H new ATOM 0 HB3 ARG A 130 12.950 4.774 -9.526 1.00 1.30 H new ATOM 0 HG2 ARG A 130 10.779 4.641 -10.759 1.00 1.75 H new ATOM 0 HG3 ARG A 130 10.166 5.966 -9.790 1.00 1.75 H new ATOM 0 HD2 ARG A 130 12.548 6.062 -11.679 1.00 1.86 H new ATOM 0 HD3 ARG A 130 10.981 6.801 -11.943 1.00 1.86 H new ATOM 0 HE ARG A 130 12.431 7.672 -9.510 1.00 2.36 H new ATOM 0 HH11 ARG A 130 11.520 8.293 -12.870 1.00 3.04 H new ATOM 0 HH12 ARG A 130 11.939 10.007 -12.790 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.987 9.879 -9.425 1.00 3.83 H new ATOM 0 HH22 ARG A 130 12.766 10.901 -10.849 1.00 3.83 H new ATOM 2107 N ASN A 131 12.266 1.964 -8.921 1.00 0.85 N ATOM 2108 CA ASN A 131 12.171 0.674 -9.601 1.00 0.88 C ATOM 2109 C ASN A 131 11.155 -0.224 -8.915 1.00 1.08 C ATOM 2110 O ASN A 131 10.596 -1.130 -9.527 1.00 1.24 O ATOM 2111 CB ASN A 131 13.517 -0.055 -9.607 1.00 0.88 C ATOM 2112 CG ASN A 131 14.679 0.813 -10.024 1.00 1.70 C ATOM 2113 OD1 ASN A 131 14.911 1.035 -11.210 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.453 1.256 -9.049 1.00 2.04 N ATOM 0 H ASN A 131 13.178 2.157 -8.506 1.00 0.85 H new ATOM 0 HA ASN A 131 11.862 0.881 -10.625 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.710 -0.450 -8.609 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.454 -0.909 -10.281 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.283 1.807 -9.267 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.220 1.047 -8.078 1.00 2.04 H new ATOM 2121 N GLY A 132 10.932 0.027 -7.635 1.00 1.23 N ATOM 2122 CA GLY A 132 10.100 -0.843 -6.846 1.00 1.61 C ATOM 2123 C GLY A 132 8.622 -0.581 -7.027 1.00 1.21 C ATOM 2124 O GLY A 132 8.041 -0.910 -8.062 1.00 1.24 O ATOM 0 H GLY A 132 11.317 0.825 -7.129 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.314 -1.878 -7.112 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.357 -0.724 -5.793 1.00 1.61 H new ATOM 2128 N MET A 133 8.011 0.014 -6.021 1.00 1.24 N ATOM 2129 CA MET A 133 6.566 0.152 -5.989 1.00 1.38 C ATOM 2130 C MET A 133 6.094 1.308 -6.860 1.00 1.35 C ATOM 2131 O MET A 133 4.930 1.371 -7.215 1.00 1.56 O ATOM 2132 CB MET A 133 6.095 0.341 -4.549 1.00 2.06 C ATOM 2133 CG MET A 133 4.614 0.078 -4.333 1.00 2.92 C ATOM 2134 SD MET A 133 4.128 0.308 -2.613 1.00 3.99 S ATOM 2135 CE MET A 133 2.456 -0.329 -2.641 1.00 4.83 C ATOM 0 H MET A 133 8.492 0.410 -5.214 1.00 1.24 H new ATOM 0 HA MET A 133 6.129 -0.761 -6.393 1.00 1.38 H new ATOM 0 HB2 MET A 133 6.668 -0.324 -3.902 1.00 2.06 H new ATOM 0 HB3 MET A 133 6.320 1.361 -4.237 1.00 2.06 H new ATOM 0 HG2 MET A 133 4.031 0.747 -4.966 1.00 2.92 H new ATOM 0 HG3 MET A 133 4.378 -0.940 -4.643 1.00 2.92 H new ATOM 0 HE1 MET A 133 1.799 0.350 -2.097 1.00 4.83 H new ATOM 0 HE2 MET A 133 2.116 -0.414 -3.673 1.00 4.83 H new ATOM 0 HE3 MET A 133 2.433 -1.311 -2.169 1.00 4.83 H new ATOM 2145 N ASP A 134 7.001 2.201 -7.234 1.00 1.38 N ATOM 2146 CA ASP A 134 6.621 3.391 -8.002 1.00 1.84 C ATOM 2147 C ASP A 134 6.019 3.021 -9.358 1.00 1.95 C ATOM 2148 O ASP A 134 5.220 3.770 -9.914 1.00 2.41 O ATOM 2149 CB ASP A 134 7.822 4.321 -8.197 1.00 2.05 C ATOM 2150 CG ASP A 134 7.480 5.530 -9.050 1.00 2.29 C ATOM 2151 OD1 ASP A 134 6.881 6.492 -8.516 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.816 5.525 -10.254 1.00 2.28 O ATOM 0 H ASP A 134 7.996 2.130 -7.023 1.00 1.38 H new ATOM 0 HA ASP A 134 5.858 3.915 -7.426 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.182 4.655 -7.224 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.636 3.767 -8.665 1.00 2.05 H new ATOM 2157 N LYS A 135 6.384 1.857 -9.878 1.00 1.70 N ATOM 2158 CA LYS A 135 5.868 1.410 -11.168 1.00 2.03 C ATOM 2159 C LYS A 135 4.592 0.582 -10.989 1.00 1.70 C ATOM 2160 O LYS A 135 3.714 0.574 -11.851 1.00 2.17 O ATOM 2161 CB LYS A 135 6.921 0.575 -11.898 1.00 2.40 C ATOM 2162 CG LYS A 135 6.530 0.217 -13.323 1.00 3.08 C ATOM 2163 CD LYS A 135 7.436 -0.857 -13.895 1.00 3.44 C ATOM 2164 CE LYS A 135 7.296 -2.160 -13.128 1.00 3.61 C ATOM 2165 NZ LYS A 135 8.196 -3.214 -13.663 1.00 4.15 N ATOM 0 H LYS A 135 7.031 1.208 -9.431 1.00 1.70 H new ATOM 0 HA LYS A 135 5.631 2.294 -11.761 1.00 2.03 H new ATOM 0 HB2 LYS A 135 7.862 1.125 -11.915 1.00 2.40 H new ATOM 0 HB3 LYS A 135 7.099 -0.343 -11.337 1.00 2.40 H new ATOM 0 HG2 LYS A 135 5.497 -0.129 -13.342 1.00 3.08 H new ATOM 0 HG3 LYS A 135 6.579 1.108 -13.950 1.00 3.08 H new ATOM 0 HD2 LYS A 135 7.191 -1.022 -14.944 1.00 3.44 H new ATOM 0 HD3 LYS A 135 8.472 -0.520 -13.858 1.00 3.44 H new ATOM 0 HE2 LYS A 135 7.522 -1.989 -12.076 1.00 3.61 H new ATOM 0 HE3 LYS A 135 6.263 -2.503 -13.180 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 8.072 -4.088 -13.114 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 7.964 -3.396 -14.660 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 9.184 -2.897 -13.590 1.00 4.15 H new ATOM 2179 N GLY A 136 4.491 -0.098 -9.856 1.00 1.04 N ATOM 2180 CA GLY A 136 3.398 -1.013 -9.624 1.00 0.79 C ATOM 2181 C GLY A 136 2.263 -0.371 -8.865 1.00 0.65 C ATOM 2182 O GLY A 136 1.115 -0.712 -9.080 1.00 0.57 O ATOM 0 H GLY A 136 5.157 -0.029 -9.086 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.029 -1.384 -10.580 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.762 -1.876 -9.067 1.00 0.79 H new ATOM 2186 N TRP A 137 2.590 0.567 -7.988 1.00 0.68 N ATOM 2187 CA TRP A 137 1.597 1.245 -7.155 1.00 0.67 C ATOM 2188 C TRP A 137 0.525 1.944 -8.001 1.00 0.57 C ATOM 2189 O TRP A 137 -0.656 1.809 -7.710 1.00 0.56 O ATOM 2190 CB TRP A 137 2.280 2.251 -6.220 1.00 0.81 C ATOM 2191 CG TRP A 137 1.493 2.572 -4.988 1.00 0.66 C ATOM 2192 CD1 TRP A 137 0.462 1.850 -4.463 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.695 3.685 -4.107 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.007 2.446 -3.313 1.00 1.62 N ATOM 2195 CE2 TRP A 137 0.748 3.574 -3.073 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.584 4.762 -4.093 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.665 4.497 -2.036 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.501 5.680 -3.062 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.548 5.542 -2.047 1.00 2.32 C ATOM 0 H TRP A 137 3.547 0.882 -7.831 1.00 0.68 H new ATOM 0 HA TRP A 137 1.098 0.484 -6.555 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.251 1.855 -5.925 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.466 3.174 -6.770 1.00 0.81 H new ATOM 0 HD1 TRP A 137 0.062 0.942 -4.890 1.00 1.62 H new ATOM 0 HE1 TRP A 137 -0.758 2.105 -2.731 1.00 1.62 H new ATOM 0 HE3 TRP A 137 3.323 4.876 -4.873 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.069 4.393 -1.251 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 3.183 6.517 -3.040 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.509 6.276 -1.256 1.00 2.32 H new ATOM 2210 N PRO A 138 0.900 2.712 -9.053 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.082 3.300 -9.971 1.00 0.61 C ATOM 2212 C PRO A 138 -0.926 2.227 -10.657 1.00 0.58 C ATOM 2213 O PRO A 138 -2.105 2.440 -10.939 1.00 0.64 O ATOM 2214 CB PRO A 138 0.767 4.054 -11.000 1.00 0.68 C ATOM 2215 CG PRO A 138 2.141 3.503 -10.855 1.00 0.66 C ATOM 2216 CD PRO A 138 2.271 3.105 -9.415 1.00 0.63 C ATOM 0 HA PRO A 138 -0.790 3.944 -9.449 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.387 3.902 -12.010 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.752 5.127 -10.812 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.290 2.647 -11.513 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.891 4.247 -11.125 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.974 2.282 -9.286 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.630 3.930 -8.799 1.00 0.63 H new ATOM 2224 N THR A 139 -0.320 1.066 -10.902 1.00 0.57 N ATOM 2225 CA THR A 139 -1.030 -0.060 -11.482 1.00 0.62 C ATOM 2226 C THR A 139 -1.988 -0.637 -10.435 1.00 0.54 C ATOM 2227 O THR A 139 -3.166 -0.923 -10.701 1.00 0.55 O ATOM 2228 CB THR A 139 -0.011 -1.126 -11.958 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.815 -0.569 -12.990 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.695 -2.376 -12.475 1.00 0.87 C ATOM 0 H THR A 139 0.664 0.886 -10.705 1.00 0.57 H new ATOM 0 HA THR A 139 -1.611 0.262 -12.346 1.00 0.62 H new ATOM 0 HB THR A 139 0.596 -1.413 -11.100 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.654 -0.247 -12.599 1.00 0.81 H new ATOM 0 HG21 THR A 139 0.058 -3.096 -12.798 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.300 -2.815 -11.681 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.335 -2.118 -13.318 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.463 -0.741 -9.227 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.191 -1.229 -8.077 1.00 0.47 C ATOM 2240 C ILE A 140 -3.385 -0.340 -7.752 1.00 0.42 C ATOM 2241 O ILE A 140 -4.507 -0.820 -7.691 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.251 -1.328 -6.853 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.235 -2.459 -7.054 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.041 -1.532 -5.573 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.754 -2.604 -5.918 1.00 0.72 C ATOM 0 H ILE A 140 -0.499 -0.482 -9.017 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.571 -2.222 -8.320 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.709 -0.387 -6.761 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.772 -3.399 -7.177 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.313 -2.282 -7.979 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.355 -1.598 -4.729 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.718 -0.691 -5.425 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.618 -2.454 -5.645 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.439 -3.424 -6.134 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.319 -1.679 -5.808 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.217 -2.814 -4.993 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.142 0.956 -7.576 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.184 1.888 -7.153 1.00 0.36 C ATOM 2259 C LEU A 141 -5.359 1.917 -8.123 1.00 0.38 C ATOM 2260 O LEU A 141 -6.504 2.073 -7.706 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.617 3.301 -6.991 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.598 3.471 -5.864 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.176 4.931 -5.754 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.169 2.967 -4.539 1.00 0.56 C ATOM 0 H LEU A 141 -2.229 1.386 -7.720 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.551 1.532 -6.190 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.148 3.596 -7.930 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.444 3.989 -6.817 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.717 2.874 -6.097 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.450 5.040 -4.948 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -1.726 5.251 -6.694 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.050 5.547 -5.541 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.428 3.097 -3.750 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.066 3.534 -4.291 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.421 1.910 -4.630 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.083 1.772 -9.410 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.144 1.780 -10.409 1.00 0.48 C ATOM 2278 C GLN A 142 -7.022 0.542 -10.262 1.00 0.47 C ATOM 2279 O GLN A 142 -8.243 0.649 -10.118 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.561 1.861 -11.825 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.779 3.208 -12.516 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.901 4.339 -11.986 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -4.547 5.256 -12.729 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.546 4.295 -10.712 1.00 0.77 N ATOM 0 H GLN A 142 -4.143 1.648 -9.786 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.760 2.664 -10.245 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.491 1.659 -11.778 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.007 1.076 -12.435 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.592 3.089 -13.583 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.825 3.494 -12.405 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -4.856 3.522 -10.123 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -3.963 5.034 -10.319 1.00 0.77 H new ATOM 2293 N SER A 143 -6.395 -0.627 -10.255 1.00 0.49 N ATOM 2294 CA SER A 143 -7.132 -1.874 -10.104 1.00 0.53 C ATOM 2295 C SER A 143 -7.707 -1.986 -8.687 1.00 0.45 C ATOM 2296 O SER A 143 -8.702 -2.672 -8.462 1.00 0.46 O ATOM 2297 CB SER A 143 -6.218 -3.054 -10.425 1.00 0.64 C ATOM 2298 OG SER A 143 -6.951 -4.259 -10.539 1.00 1.15 O ATOM 0 H SER A 143 -5.386 -0.738 -10.351 1.00 0.49 H new ATOM 0 HA SER A 143 -7.968 -1.886 -10.803 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.686 -2.861 -11.356 1.00 0.64 H new ATOM 0 HB3 SER A 143 -5.466 -3.157 -9.643 1.00 0.64 H new ATOM 0 HG SER A 143 -7.169 -4.422 -11.481 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.086 -1.282 -7.745 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.553 -1.234 -6.368 1.00 0.36 C ATOM 2306 C PHE A 144 -8.910 -0.543 -6.312 1.00 0.32 C ATOM 2307 O PHE A 144 -9.863 -1.060 -5.730 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.523 -0.486 -5.509 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.991 -0.087 -4.137 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.426 -1.052 -3.243 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.010 1.240 -3.745 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.872 -0.701 -1.985 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.454 1.598 -2.487 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.824 0.675 -1.599 1.00 0.78 C ATOM 0 H PHE A 144 -6.246 -0.730 -7.917 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.666 -2.245 -5.978 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.639 -1.115 -5.404 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.214 0.412 -6.044 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -7.416 -2.092 -3.534 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -6.674 2.004 -4.430 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -8.250 -1.451 -1.306 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.502 2.643 -2.218 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.086 0.965 -0.592 1.00 0.78 H new ATOM 2324 N GLN A 145 -8.981 0.623 -6.946 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.210 1.396 -7.023 1.00 0.31 C ATOM 2326 C GLN A 145 -11.325 0.595 -7.678 1.00 0.35 C ATOM 2327 O GLN A 145 -12.470 0.623 -7.226 1.00 0.42 O ATOM 2328 CB GLN A 145 -9.971 2.684 -7.807 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.077 3.663 -7.076 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.648 4.832 -7.940 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.308 5.870 -7.979 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.533 4.674 -8.632 1.00 0.66 N ATOM 0 H GLN A 145 -8.188 1.056 -7.419 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.517 1.641 -6.006 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.522 2.439 -8.770 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -10.929 3.160 -8.014 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -9.602 4.040 -6.198 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.191 3.139 -6.717 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.015 3.797 -8.572 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.190 5.429 -9.226 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.993 -0.122 -8.737 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.999 -0.884 -9.459 1.00 0.43 C ATOM 2343 C ASP A 146 -12.399 -2.143 -8.710 1.00 0.40 C ATOM 2344 O ASP A 146 -13.571 -2.504 -8.714 1.00 0.44 O ATOM 2345 CB ASP A 146 -11.548 -1.222 -10.873 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.834 -0.097 -11.843 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.918 0.518 -11.746 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -10.976 0.175 -12.716 1.00 1.46 O ATOM 0 H ASP A 146 -10.048 -0.193 -9.113 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.879 -0.244 -9.533 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.479 -1.436 -10.871 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -12.054 -2.127 -11.208 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.445 -2.806 -8.060 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.769 -3.950 -7.214 1.00 0.51 C ATOM 2355 C LYS A 147 -12.760 -3.520 -6.139 1.00 0.48 C ATOM 2356 O LYS A 147 -13.732 -4.216 -5.863 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.505 -4.536 -6.569 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.753 -5.798 -5.745 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.403 -6.893 -6.580 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.457 -8.228 -5.846 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.272 -8.170 -4.603 1.00 1.74 N ATOM 0 H LYS A 147 -10.453 -2.574 -8.102 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.217 -4.727 -7.833 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.782 -4.763 -7.353 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.053 -3.779 -5.928 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.808 -6.161 -5.340 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.393 -5.559 -4.896 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.414 -6.589 -6.850 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.848 -7.015 -7.510 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.870 -8.986 -6.511 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.443 -8.541 -5.596 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -12.671 -9.110 -4.405 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -11.671 -7.874 -3.807 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.045 -7.485 -4.726 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.514 -2.350 -5.560 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.415 -1.771 -4.575 1.00 0.40 C ATOM 2377 C ILE A 148 -14.785 -1.488 -5.183 1.00 0.42 C ATOM 2378 O ILE A 148 -15.818 -1.787 -4.584 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.835 -0.464 -4.003 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.662 -0.772 -3.072 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.908 0.330 -3.275 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.088 0.454 -2.402 1.00 0.37 C ATOM 0 H ILE A 148 -11.691 -1.781 -5.759 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.527 -2.498 -3.771 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.471 0.146 -4.830 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.991 -1.475 -2.306 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.876 -1.267 -3.642 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.475 1.249 -2.879 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.712 0.577 -3.969 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.307 -0.266 -2.454 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.260 0.162 -1.756 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.729 1.149 -3.161 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.861 0.937 -1.804 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.784 -0.910 -6.374 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.023 -0.602 -7.077 1.00 0.49 C ATOM 2396 C ASP A 149 -16.788 -1.884 -7.380 1.00 0.55 C ATOM 2397 O ASP A 149 -18.017 -1.894 -7.402 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.726 0.167 -8.366 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.974 0.562 -9.132 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.684 1.473 -8.679 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.262 -0.057 -10.170 1.00 0.77 O ATOM 0 H ASP A 149 -13.937 -0.643 -6.877 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.643 0.027 -6.438 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -15.159 1.065 -8.122 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.093 -0.445 -9.008 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.047 -2.972 -7.582 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.650 -4.279 -7.794 1.00 0.68 C ATOM 2408 C GLU A 150 -17.273 -4.777 -6.495 1.00 0.75 C ATOM 2409 O GLU A 150 -18.363 -5.350 -6.498 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.613 -5.294 -8.296 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.098 -5.007 -9.696 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.030 -5.986 -10.147 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.846 -5.795 -9.786 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.366 -6.960 -10.846 1.00 1.50 O ATOM 0 H GLU A 150 -15.027 -2.970 -7.603 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.423 -4.177 -8.556 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.770 -5.309 -7.605 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.056 -6.290 -8.280 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.932 -5.039 -10.397 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.693 -3.996 -9.728 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.578 -4.526 -5.390 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.044 -4.930 -4.067 1.00 0.84 C ATOM 2423 C GLU A 151 -18.353 -4.231 -3.745 1.00 0.88 C ATOM 2424 O GLU A 151 -19.284 -4.841 -3.216 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.016 -4.575 -2.988 1.00 0.86 C ATOM 2426 CG GLU A 151 -14.648 -5.203 -3.188 1.00 0.95 C ATOM 2427 CD GLU A 151 -14.688 -6.713 -3.203 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -14.779 -7.300 -4.300 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -14.598 -7.321 -2.117 1.00 1.63 O ATOM 0 H GLU A 151 -15.681 -4.040 -5.385 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.187 -6.011 -4.078 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -15.903 -3.491 -2.955 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.405 -4.884 -2.018 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.225 -4.847 -4.127 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -13.982 -4.871 -2.392 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.404 -2.943 -4.059 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.618 -2.186 -3.881 1.00 0.96 C ATOM 2438 C GLY A 152 -20.686 -2.629 -4.853 1.00 1.04 C ATOM 2439 O GLY A 152 -21.637 -3.315 -4.466 1.00 1.32 O ATOM 0 H GLY A 152 -17.619 -2.411 -4.435 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -19.979 -2.308 -2.860 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.412 -1.125 -4.022 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.513 -2.261 -6.121 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.455 -2.629 -7.166 1.00 1.47 C ATOM 2445 C ALA A 153 -20.973 -2.166 -8.540 1.00 1.29 C ATOM 2446 O ALA A 153 -21.367 -1.103 -9.022 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.832 -2.057 -6.875 1.00 1.92 C ATOM 0 H ALA A 153 -19.723 -1.705 -6.447 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.521 -3.717 -7.179 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.521 -2.345 -7.669 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.194 -2.445 -5.923 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.771 -0.970 -6.824 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.082 -2.940 -9.142 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.683 -2.699 -10.526 1.00 1.02 C ATOM 2455 C LYS A 154 -20.469 -3.628 -11.438 1.00 1.38 C ATOM 2456 O LYS A 154 -20.689 -3.340 -12.614 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.177 -2.926 -10.720 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.697 -2.602 -12.130 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.230 -2.949 -12.335 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.302 -1.996 -11.590 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.416 -0.595 -12.085 1.00 1.32 N ATOM 0 H LYS A 154 -19.623 -3.736 -8.700 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.898 -1.660 -10.775 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.629 -2.311 -10.006 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.941 -3.966 -10.493 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.302 -3.150 -12.852 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.848 -1.541 -12.328 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.049 -3.969 -11.995 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -15.997 -2.921 -13.400 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.535 -2.023 -10.526 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.272 -2.335 -11.700 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.552 -0.070 -11.843 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.540 -0.601 -13.118 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -16.236 -0.135 -11.640 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.922 -4.729 -10.860 1.00 1.82 N ATOM 2476 CA LYS A 155 -21.639 -5.758 -11.592 1.00 2.44 C ATOM 2477 C LYS A 155 -22.939 -6.080 -10.866 1.00 3.14 C ATOM 2478 O LYS A 155 -23.790 -6.785 -11.441 1.00 3.71 O ATOM 2479 CB LYS A 155 -20.778 -7.027 -11.748 1.00 2.82 C ATOM 2480 CG LYS A 155 -20.454 -7.754 -10.441 1.00 2.95 C ATOM 2481 CD LYS A 155 -19.458 -6.987 -9.581 1.00 3.46 C ATOM 2482 CE LYS A 155 -19.181 -7.698 -8.263 1.00 3.45 C ATOM 2483 NZ LYS A 155 -18.425 -8.965 -8.449 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.103 -5.603 -9.722 1.00 3.60 O ATOM 0 H LYS A 155 -20.802 -4.934 -9.868 1.00 1.82 H new ATOM 0 HA LYS A 155 -21.865 -5.387 -12.592 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -21.295 -7.719 -12.413 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -19.842 -6.755 -12.236 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -21.374 -7.908 -9.877 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -20.050 -8.741 -10.668 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -18.524 -6.863 -10.130 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -19.845 -5.988 -9.380 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -18.617 -7.035 -7.607 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -20.126 -7.912 -7.763 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -18.217 -9.385 -7.520 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -18.995 -9.630 -9.010 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -17.533 -8.767 -8.947 1.00 4.22 H new