USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=35 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 131 ASN : amide:sc= -7.66! C(o=-8.5!,f=-15!) USER MOD Set 1.2: A 133 MET CE :methyl -118:sc= -0.83 (180deg=-7.43!) USER MOD Set 2.1: A 93 ASN : amide:sc= 1.13 K(o=2.2,f=-1.7) USER MOD Set 2.2: A 94 SER OG : rot 94:sc= 1.25 USER MOD Set 2.3: A 117 HIS : no HD1:sc= -0.213 X(o=2.2,f=2.3) USER MOD Set 3.1: A 33 ASN : amide:sc= -1.69! X(o=-4.4!,f=-4.1) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 148:sc= 1.18 (180deg=0) USER MOD Set 3.3: A 84 ASN : amide:sc= -3.93! C(o=-4.4!,f=-8.3!) USER MOD Single : A 1 ASN : amide:sc= -2.35! C(o=-2.3!,f=-5!) USER MOD Single : A 1 ASN N :NH3+ -165:sc= 0.788 (180deg=0.488) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -4.65 K(o=-4.6,f=-8.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.624 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0.833 (180deg=0.689) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -83:sc= 0.472 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.13) USER MOD Single : A 22 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 34 ASN : amide:sc= -5.37! C(o=-5.4!,f=-7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 38 THR OG1 : rot 26:sc= 0.672 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.02) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.17 (180deg=0.0927) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -5.15! C(o=-5.1!,f=-4.7!) USER MOD Single : A 63 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-9.6!) USER MOD Single : A 64 THR OG1 : rot 155:sc= 0.464 USER MOD Single : A 70 LYS NZ :NH3+ 138:sc= 1.14 (180deg=0.0648) USER MOD Single : A 76 THR OG1 : rot -91:sc= 1.24 USER MOD Single : A 95 SER OG : rot -160:sc= -0.773 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 141:sc= -1.96! (180deg=-4.49!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -9:sc= 0.743 USER MOD Single : A 115 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-7.1!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 163:sc= -0.0915 (180deg=-0.479) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 125 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=-0.52) USER MOD Single : A 127 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0327) USER MOD Single : A 135 LYS NZ :NH3+ -115:sc= -0.141 (180deg=-0.915) USER MOD Single : A 139 THR OG1 : rot 117:sc= 0.0102 USER MOD Single : A 142 GLN : amide:sc= -0.067 X(o=-0.067,f=-0.051) USER MOD Single : A 143 SER OG : rot -76:sc= 0.0452 USER MOD Single : A 145 GLN : amide:sc= -1.73 K(o=-1.7,f=-6.1!) USER MOD Single : A 147 LYS NZ :NH3+ -119:sc= 0.941 (180deg=0.141) USER MOD Single : A 154 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.14) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.860 12.175 -8.653 1.00 1.65 N ATOM 2 CA ASN A 1 5.949 12.841 -7.335 1.00 1.32 C ATOM 3 C ASN A 1 6.818 12.022 -6.380 1.00 1.24 C ATOM 4 O ASN A 1 6.592 10.830 -6.187 1.00 1.61 O ATOM 5 CB ASN A 1 4.537 13.097 -6.768 1.00 1.23 C ATOM 6 CG ASN A 1 3.671 11.853 -6.661 1.00 1.26 C ATOM 7 OD1 ASN A 1 3.924 10.834 -7.301 1.00 1.66 O ATOM 8 ND2 ASN A 1 2.593 11.961 -5.905 1.00 1.42 N ATOM 0 H1 ASN A 1 5.491 12.846 -9.357 1.00 1.65 H new ATOM 0 H2 ASN A 1 6.805 11.853 -8.944 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.221 11.357 -8.586 1.00 1.65 H new ATOM 0 HA ASN A 1 6.431 13.811 -7.455 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.631 13.546 -5.779 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.030 13.825 -7.402 1.00 1.23 H new ATOM 0 HD21 ASN A 1 1.937 11.183 -5.838 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.417 12.823 -5.388 1.00 1.42 H new ATOM 17 N TYR A 2 7.831 12.684 -5.816 1.00 1.16 N ATOM 18 CA TYR A 2 8.850 12.051 -4.966 1.00 1.12 C ATOM 19 C TYR A 2 9.853 13.096 -4.503 1.00 1.22 C ATOM 20 O TYR A 2 10.371 13.016 -3.401 1.00 1.20 O ATOM 21 CB TYR A 2 9.574 10.899 -5.696 1.00 1.31 C ATOM 22 CG TYR A 2 10.225 11.263 -7.019 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.465 11.889 -7.061 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.609 10.957 -8.225 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.070 12.201 -8.263 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.206 11.268 -9.432 1.00 2.43 C ATOM 27 CZ TYR A 2 11.436 11.890 -9.446 1.00 2.97 C ATOM 28 OH TYR A 2 12.035 12.196 -10.647 1.00 3.73 O ATOM 0 H TYR A 2 7.971 13.687 -5.936 1.00 1.16 H new ATOM 0 HA TYR A 2 8.346 11.620 -4.101 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.341 10.499 -5.033 1.00 1.31 H new ATOM 0 HB3 TYR A 2 8.856 10.098 -5.874 1.00 1.31 H new ATOM 0 HD1 TYR A 2 11.965 12.136 -6.136 1.00 2.21 H new ATOM 0 HD2 TYR A 2 8.646 10.467 -8.220 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.035 12.686 -8.275 1.00 2.90 H new ATOM 0 HE2 TYR A 2 9.711 11.025 -10.360 1.00 2.43 H new ATOM 0 HH TYR A 2 11.456 11.909 -11.384 1.00 3.73 H new ATOM 38 N ASP A 3 10.109 14.091 -5.345 1.00 1.44 N ATOM 39 CA ASP A 3 11.067 15.138 -5.001 1.00 1.65 C ATOM 40 C ASP A 3 10.511 16.099 -3.942 1.00 1.53 C ATOM 41 O ASP A 3 11.149 16.309 -2.913 1.00 1.62 O ATOM 42 CB ASP A 3 11.514 15.913 -6.245 1.00 1.99 C ATOM 43 CG ASP A 3 12.492 17.023 -5.908 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.705 16.742 -5.802 1.00 2.78 O ATOM 45 OD2 ASP A 3 12.052 18.185 -5.747 1.00 2.63 O ATOM 0 H ASP A 3 9.673 14.196 -6.261 1.00 1.44 H new ATOM 0 HA ASP A 3 11.937 14.641 -4.573 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.977 15.225 -6.952 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.641 16.338 -6.739 1.00 1.99 H new ATOM 50 N PRO A 4 9.333 16.720 -4.170 1.00 1.46 N ATOM 51 CA PRO A 4 8.741 17.636 -3.207 1.00 1.45 C ATOM 52 C PRO A 4 7.747 16.954 -2.267 1.00 1.27 C ATOM 53 O PRO A 4 7.941 16.930 -1.053 1.00 1.34 O ATOM 54 CB PRO A 4 8.026 18.643 -4.104 1.00 1.61 C ATOM 55 CG PRO A 4 7.703 17.905 -5.371 1.00 1.63 C ATOM 56 CD PRO A 4 8.502 16.621 -5.377 1.00 1.52 C ATOM 0 HA PRO A 4 9.487 18.072 -2.542 1.00 1.45 H new ATOM 0 HB2 PRO A 4 7.120 19.017 -3.627 1.00 1.61 H new ATOM 0 HB3 PRO A 4 8.660 19.507 -4.305 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.636 17.691 -5.426 1.00 1.63 H new ATOM 0 HG3 PRO A 4 7.951 18.513 -6.241 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.853 15.746 -5.345 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.112 16.533 -6.276 1.00 1.52 H new ATOM 64 N PHE A 5 6.674 16.417 -2.837 1.00 1.17 N ATOM 65 CA PHE A 5 5.630 15.765 -2.065 1.00 1.11 C ATOM 66 C PHE A 5 5.069 14.577 -2.829 1.00 0.94 C ATOM 67 O PHE A 5 4.544 14.739 -3.932 1.00 1.01 O ATOM 68 CB PHE A 5 4.477 16.738 -1.767 1.00 1.40 C ATOM 69 CG PHE A 5 4.830 17.873 -0.847 1.00 1.63 C ATOM 70 CD1 PHE A 5 5.303 19.070 -1.357 1.00 1.75 C ATOM 71 CD2 PHE A 5 4.698 17.739 0.524 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.636 20.114 -0.517 1.00 2.39 C ATOM 73 CE2 PHE A 5 5.027 18.780 1.369 1.00 3.21 C ATOM 74 CZ PHE A 5 5.465 19.971 0.858 1.00 3.19 C ATOM 0 H PHE A 5 6.506 16.423 -3.843 1.00 1.17 H new ATOM 0 HA PHE A 5 6.076 15.431 -1.128 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.117 17.151 -2.709 1.00 1.40 H new ATOM 0 HB3 PHE A 5 3.651 16.177 -1.329 1.00 1.40 H new ATOM 0 HD1 PHE A 5 5.413 19.189 -2.425 1.00 1.75 H new ATOM 0 HD2 PHE A 5 4.334 16.810 0.937 1.00 2.34 H new ATOM 0 HE1 PHE A 5 6.026 21.035 -0.923 1.00 2.39 H new ATOM 0 HE2 PHE A 5 4.938 18.654 2.438 1.00 3.21 H new ATOM 0 HZ PHE A 5 5.678 20.798 1.519 1.00 3.19 H new ATOM 84 N VAL A 6 5.197 13.392 -2.263 1.00 0.85 N ATOM 85 CA VAL A 6 4.460 12.246 -2.764 1.00 0.79 C ATOM 86 C VAL A 6 3.083 12.236 -2.136 1.00 0.69 C ATOM 87 O VAL A 6 2.947 12.275 -0.914 1.00 0.77 O ATOM 88 CB VAL A 6 5.141 10.905 -2.445 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.274 9.746 -2.913 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.514 10.828 -3.068 1.00 1.41 C ATOM 0 H VAL A 6 5.799 13.198 -1.463 1.00 0.85 H new ATOM 0 HA VAL A 6 4.414 12.346 -3.848 1.00 0.79 H new ATOM 0 HB VAL A 6 5.262 10.836 -1.364 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.770 8.804 -2.680 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.310 9.784 -2.405 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.120 9.818 -3.990 1.00 1.44 H new ATOM 0 HG21 VAL A 6 6.971 9.869 -2.825 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.428 10.925 -4.150 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.136 11.634 -2.679 1.00 1.41 H new ATOM 100 N ARG A 7 2.071 12.201 -2.969 1.00 0.64 N ATOM 101 CA ARG A 7 0.712 12.153 -2.493 1.00 0.56 C ATOM 102 C ARG A 7 -0.052 11.073 -3.231 1.00 0.54 C ATOM 103 O ARG A 7 0.090 10.912 -4.443 1.00 0.64 O ATOM 104 CB ARG A 7 0.037 13.514 -2.666 1.00 0.57 C ATOM 105 CG ARG A 7 -1.360 13.578 -2.070 1.00 0.57 C ATOM 106 CD ARG A 7 -1.898 15.001 -2.039 1.00 0.71 C ATOM 107 NE ARG A 7 -2.105 15.558 -3.375 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.308 15.792 -3.897 1.00 2.25 C ATOM 109 NH1 ARG A 7 -4.404 15.452 -3.227 1.00 2.26 N ATOM 110 NH2 ARG A 7 -3.421 16.360 -5.090 1.00 3.37 N ATOM 0 H ARG A 7 2.165 12.205 -3.985 1.00 0.64 H new ATOM 0 HA ARG A 7 0.715 11.913 -1.430 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.657 14.280 -2.201 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -0.019 13.751 -3.729 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -2.032 12.948 -2.652 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.342 13.174 -1.058 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.842 15.016 -1.494 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.203 15.636 -1.490 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.284 15.779 -3.938 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -4.325 15.011 -2.311 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -5.324 15.632 -3.629 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.584 16.620 -5.612 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -4.345 16.537 -5.485 1.00 3.37 H new ATOM 124 N HIS A 8 -0.832 10.315 -2.487 1.00 0.47 N ATOM 125 CA HIS A 8 -1.666 9.277 -3.065 1.00 0.46 C ATOM 126 C HIS A 8 -3.102 9.723 -2.993 1.00 0.39 C ATOM 127 O HIS A 8 -3.561 10.155 -1.943 1.00 0.39 O ATOM 128 CB HIS A 8 -1.449 7.979 -2.277 1.00 0.56 C ATOM 129 CG HIS A 8 -2.507 6.915 -2.387 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.849 6.111 -1.317 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.281 6.508 -3.414 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.787 5.264 -1.675 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.070 5.482 -2.944 1.00 0.76 N ATOM 0 H HIS A 8 -0.907 10.399 -1.473 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.407 9.097 -4.109 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.501 7.546 -2.597 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -1.341 8.239 -1.224 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -3.282 6.911 -4.416 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.246 4.520 -1.041 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -4.763 4.972 -3.491 1.00 0.76 H new ATOM 142 N SER A 9 -3.810 9.595 -4.090 1.00 0.42 N ATOM 143 CA SER A 9 -5.186 10.024 -4.133 1.00 0.40 C ATOM 144 C SER A 9 -6.046 8.995 -4.835 1.00 0.41 C ATOM 145 O SER A 9 -5.830 8.672 -6.001 1.00 0.53 O ATOM 146 CB SER A 9 -5.295 11.379 -4.827 1.00 0.52 C ATOM 147 OG SER A 9 -4.369 12.308 -4.286 1.00 1.28 O ATOM 0 H SER A 9 -3.457 9.199 -4.961 1.00 0.42 H new ATOM 0 HA SER A 9 -5.548 10.127 -3.110 1.00 0.40 H new ATOM 0 HB2 SER A 9 -5.112 11.259 -5.895 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.308 11.766 -4.718 1.00 0.52 H new ATOM 0 HG SER A 9 -4.459 13.167 -4.749 1.00 1.28 H new ATOM 153 N VAL A 10 -7.003 8.472 -4.101 1.00 0.35 N ATOM 154 CA VAL A 10 -7.908 7.464 -4.625 1.00 0.36 C ATOM 155 C VAL A 10 -9.337 7.737 -4.195 1.00 0.32 C ATOM 156 O VAL A 10 -9.592 8.048 -3.029 1.00 0.32 O ATOM 157 CB VAL A 10 -7.487 6.053 -4.159 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.668 5.093 -4.133 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.390 5.518 -5.055 1.00 1.18 C ATOM 0 H VAL A 10 -7.178 8.729 -3.130 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.855 7.510 -5.713 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.110 6.135 -3.139 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.331 4.111 -3.800 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.427 5.468 -3.447 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.092 5.011 -5.134 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.099 4.523 -4.719 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.753 5.463 -6.081 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.527 6.183 -5.010 1.00 1.18 H new ATOM 169 N THR A 11 -10.256 7.640 -5.138 1.00 0.35 N ATOM 170 CA THR A 11 -11.659 7.743 -4.825 1.00 0.34 C ATOM 171 C THR A 11 -12.287 6.350 -4.797 1.00 0.33 C ATOM 172 O THR A 11 -12.351 5.653 -5.812 1.00 0.43 O ATOM 173 CB THR A 11 -12.383 8.640 -5.845 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.703 9.901 -5.938 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.828 8.876 -5.437 1.00 0.51 C ATOM 0 H THR A 11 -10.050 7.490 -6.126 1.00 0.35 H new ATOM 0 HA THR A 11 -11.764 8.200 -3.841 1.00 0.34 H new ATOM 0 HB THR A 11 -12.376 8.137 -6.812 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.162 10.473 -6.588 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.315 9.513 -6.175 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.351 7.921 -5.380 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.856 9.364 -4.463 1.00 0.51 H new ATOM 183 N VAL A 12 -12.736 5.958 -3.621 1.00 0.29 N ATOM 184 CA VAL A 12 -13.355 4.663 -3.405 1.00 0.35 C ATOM 185 C VAL A 12 -14.872 4.796 -3.495 1.00 0.32 C ATOM 186 O VAL A 12 -15.449 5.736 -2.947 1.00 0.36 O ATOM 187 CB VAL A 12 -12.953 4.106 -2.019 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.836 2.937 -1.615 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.488 3.692 -2.021 1.00 0.81 C ATOM 0 H VAL A 12 -12.681 6.534 -2.781 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.011 3.971 -4.174 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.094 4.899 -1.284 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.527 2.569 -0.637 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.875 3.265 -1.568 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.740 2.138 -2.350 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.219 3.302 -1.039 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.329 2.920 -2.774 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.866 4.557 -2.251 1.00 0.81 H new ATOM 199 N LYS A 13 -15.512 3.859 -4.181 1.00 0.34 N ATOM 200 CA LYS A 13 -16.951 3.922 -4.402 1.00 0.38 C ATOM 201 C LYS A 13 -17.699 2.887 -3.560 1.00 0.31 C ATOM 202 O LYS A 13 -18.709 2.338 -3.998 1.00 0.37 O ATOM 203 CB LYS A 13 -17.290 3.739 -5.894 1.00 0.58 C ATOM 204 CG LYS A 13 -16.401 2.751 -6.648 1.00 0.68 C ATOM 205 CD LYS A 13 -15.144 3.428 -7.182 1.00 0.97 C ATOM 206 CE LYS A 13 -14.372 2.534 -8.139 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.126 2.270 -9.395 1.00 0.98 N ATOM 0 H LYS A 13 -15.057 3.045 -4.595 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.280 4.913 -4.088 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.325 3.408 -5.977 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.226 4.709 -6.386 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.121 1.932 -5.985 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.960 2.314 -7.475 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -15.419 4.351 -7.692 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.500 3.705 -6.347 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.418 3.003 -8.382 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.146 1.588 -7.647 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.608 1.577 -9.972 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -16.067 1.893 -9.162 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.231 3.156 -9.930 1.00 0.98 H new ATOM 221 N ALA A 14 -17.221 2.639 -2.342 1.00 0.29 N ATOM 222 CA ALA A 14 -17.884 1.687 -1.451 1.00 0.30 C ATOM 223 C ALA A 14 -17.574 1.970 0.020 1.00 0.28 C ATOM 224 O ALA A 14 -17.538 1.049 0.838 1.00 0.31 O ATOM 225 CB ALA A 14 -17.491 0.263 -1.820 1.00 0.36 C ATOM 0 H ALA A 14 -16.387 3.078 -1.952 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.960 1.804 -1.581 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.990 -0.437 -1.150 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.790 0.058 -2.848 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.411 0.148 -1.726 1.00 0.36 H new ATOM 231 N ASP A 15 -17.374 3.246 0.342 1.00 0.28 N ATOM 232 CA ASP A 15 -17.137 3.699 1.724 1.00 0.31 C ATOM 233 C ASP A 15 -15.722 3.374 2.220 1.00 0.28 C ATOM 234 O ASP A 15 -14.996 2.559 1.636 1.00 0.29 O ATOM 235 CB ASP A 15 -18.196 3.133 2.695 1.00 0.39 C ATOM 236 CG ASP A 15 -17.996 3.589 4.134 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.578 2.763 4.975 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.219 4.782 4.425 1.00 0.76 O ATOM 0 H ASP A 15 -17.370 4.001 -0.344 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.230 4.785 1.707 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.187 3.437 2.359 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.168 2.044 2.659 1.00 0.39 H new ATOM 243 N ARG A 16 -15.349 4.039 3.309 1.00 0.28 N ATOM 244 CA ARG A 16 -14.016 3.954 3.883 1.00 0.27 C ATOM 245 C ARG A 16 -13.732 2.560 4.437 1.00 0.28 C ATOM 246 O ARG A 16 -12.573 2.145 4.519 1.00 0.28 O ATOM 247 CB ARG A 16 -13.879 5.007 4.987 1.00 0.29 C ATOM 248 CG ARG A 16 -12.448 5.321 5.370 1.00 0.28 C ATOM 249 CD ARG A 16 -12.328 6.707 5.989 1.00 0.40 C ATOM 250 NE ARG A 16 -13.125 6.862 7.203 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.784 7.673 8.202 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.708 8.440 8.095 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.529 7.731 9.297 1.00 1.88 N ATOM 0 H ARG A 16 -15.975 4.660 3.822 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.285 4.145 3.098 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.366 5.926 4.660 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.413 4.661 5.872 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.087 4.573 6.076 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.812 5.259 4.487 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.282 6.906 6.220 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.640 7.453 5.258 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.986 6.322 7.290 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.142 8.409 7.247 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.447 9.062 8.860 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.366 7.153 9.376 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.265 8.353 10.061 1.00 1.88 H new ATOM 267 N LYS A 17 -14.785 1.837 4.812 1.00 0.33 N ATOM 268 CA LYS A 17 -14.622 0.486 5.334 1.00 0.39 C ATOM 269 C LYS A 17 -14.015 -0.431 4.282 1.00 0.35 C ATOM 270 O LYS A 17 -13.032 -1.119 4.553 1.00 0.37 O ATOM 271 CB LYS A 17 -15.953 -0.078 5.831 1.00 0.53 C ATOM 272 CG LYS A 17 -16.456 0.597 7.096 1.00 1.34 C ATOM 273 CD LYS A 17 -17.725 -0.055 7.615 1.00 1.70 C ATOM 274 CE LYS A 17 -18.857 0.044 6.607 1.00 2.46 C ATOM 275 NZ LYS A 17 -20.112 -0.565 7.121 1.00 3.05 N ATOM 0 H LYS A 17 -15.751 2.162 4.764 1.00 0.33 H new ATOM 0 HA LYS A 17 -13.939 0.538 6.182 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.702 0.031 5.047 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -15.840 -1.146 6.017 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -15.684 0.552 7.864 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.645 1.652 6.895 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -17.530 -1.103 7.842 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.025 0.423 8.548 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.035 1.091 6.363 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.564 -0.453 5.682 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.860 -0.477 6.404 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -19.950 -1.571 7.330 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.406 -0.074 7.989 1.00 3.05 H new ATOM 289 N THR A 18 -14.572 -0.414 3.075 1.00 0.35 N ATOM 290 CA THR A 18 -14.057 -1.251 1.999 1.00 0.36 C ATOM 291 C THR A 18 -12.682 -0.771 1.568 1.00 0.33 C ATOM 292 O THR A 18 -11.823 -1.574 1.214 1.00 0.37 O ATOM 293 CB THR A 18 -14.980 -1.265 0.769 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.156 0.065 0.284 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.332 -1.874 1.102 1.00 0.80 C ATOM 0 H THR A 18 -15.372 0.165 2.820 1.00 0.35 H new ATOM 0 HA THR A 18 -14.001 -2.265 2.396 1.00 0.36 H new ATOM 0 HB THR A 18 -14.512 -1.878 -0.001 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.860 0.511 0.800 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.962 -1.870 0.213 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.195 -2.900 1.444 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.810 -1.290 1.888 1.00 0.80 H new ATOM 303 N ALA A 19 -12.479 0.545 1.604 1.00 0.29 N ATOM 304 CA ALA A 19 -11.186 1.122 1.264 1.00 0.29 C ATOM 305 C ALA A 19 -10.087 0.527 2.136 1.00 0.28 C ATOM 306 O ALA A 19 -9.055 0.083 1.635 1.00 0.32 O ATOM 307 CB ALA A 19 -11.222 2.635 1.418 1.00 0.31 C ATOM 0 H ALA A 19 -13.192 1.227 1.864 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.967 0.883 0.223 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.248 3.050 1.160 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.981 3.050 0.755 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.463 2.890 2.450 1.00 0.31 H new ATOM 313 N PHE A 20 -10.324 0.502 3.441 1.00 0.25 N ATOM 314 CA PHE A 20 -9.363 -0.053 4.385 1.00 0.26 C ATOM 315 C PHE A 20 -9.314 -1.576 4.292 1.00 0.31 C ATOM 316 O PHE A 20 -8.235 -2.163 4.175 1.00 0.33 O ATOM 317 CB PHE A 20 -9.726 0.370 5.808 1.00 0.28 C ATOM 318 CG PHE A 20 -8.883 -0.273 6.870 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.606 0.191 7.135 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.372 -1.336 7.611 1.00 0.34 C ATOM 321 CE1 PHE A 20 -6.832 -0.394 8.119 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.604 -1.927 8.594 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.332 -1.454 8.849 1.00 0.38 C ATOM 0 H PHE A 20 -11.176 0.861 3.871 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.376 0.335 4.131 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.631 1.453 5.889 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.772 0.127 5.993 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.210 1.019 6.566 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.367 -1.707 7.417 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -5.837 -0.023 8.317 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -8.997 -2.757 9.162 1.00 0.38 H new ATOM 0 HZ PHE A 20 -6.729 -1.913 9.619 1.00 0.38 H new ATOM 333 N LYS A 21 -10.487 -2.203 4.351 1.00 0.35 N ATOM 334 CA LYS A 21 -10.597 -3.660 4.304 1.00 0.42 C ATOM 335 C LYS A 21 -9.854 -4.229 3.102 1.00 0.44 C ATOM 336 O LYS A 21 -9.057 -5.158 3.230 1.00 0.49 O ATOM 337 CB LYS A 21 -12.069 -4.077 4.234 1.00 0.49 C ATOM 338 CG LYS A 21 -12.270 -5.569 4.011 1.00 0.64 C ATOM 339 CD LYS A 21 -11.875 -6.372 5.236 1.00 1.24 C ATOM 340 CE LYS A 21 -11.909 -7.866 4.963 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.647 -8.651 6.195 1.00 2.39 N ATOM 0 H LYS A 21 -11.382 -1.720 4.432 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.146 -4.057 5.213 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.565 -3.787 5.160 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.555 -3.529 3.427 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.314 -5.764 3.768 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.678 -5.893 3.155 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.873 -6.083 5.553 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.550 -6.137 6.059 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -12.882 -8.140 4.556 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -11.165 -8.116 4.206 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -11.509 -9.651 5.946 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -10.791 -8.289 6.662 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -12.457 -8.563 6.841 1.00 2.39 H new ATOM 355 N THR A 22 -10.117 -3.662 1.937 1.00 0.43 N ATOM 356 CA THR A 22 -9.507 -4.136 0.714 1.00 0.48 C ATOM 357 C THR A 22 -8.004 -3.862 0.716 1.00 0.49 C ATOM 358 O THR A 22 -7.212 -4.781 0.527 1.00 0.68 O ATOM 359 CB THR A 22 -10.172 -3.480 -0.512 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.595 -3.632 -0.421 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.686 -4.103 -1.809 1.00 0.58 C ATOM 0 H THR A 22 -10.750 -2.872 1.816 1.00 0.43 H new ATOM 0 HA THR A 22 -9.658 -5.214 0.655 1.00 0.48 H new ATOM 0 HB THR A 22 -9.902 -2.424 -0.517 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.971 -2.887 0.093 1.00 0.48 H new ATOM 0 HG21 THR A 22 -10.176 -3.616 -2.652 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.607 -3.975 -1.892 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.926 -5.166 -1.814 1.00 0.58 H new ATOM 369 N PHE A 23 -7.626 -2.613 1.000 1.00 0.37 N ATOM 370 CA PHE A 23 -6.229 -2.170 0.909 1.00 0.38 C ATOM 371 C PHE A 23 -5.303 -2.979 1.815 1.00 0.38 C ATOM 372 O PHE A 23 -4.189 -3.320 1.426 1.00 0.43 O ATOM 373 CB PHE A 23 -6.125 -0.677 1.263 1.00 0.37 C ATOM 374 CG PHE A 23 -4.742 -0.094 1.115 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.296 0.356 -0.118 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.885 0.000 2.206 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.029 0.889 -0.263 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.617 0.532 2.064 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.190 0.985 0.855 1.00 0.48 C ATOM 0 H PHE A 23 -8.274 -1.883 1.298 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.907 -2.332 -0.120 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.811 -0.117 0.628 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.457 -0.537 2.292 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.947 0.289 -0.977 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.214 -0.346 3.175 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.689 1.229 -1.230 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.961 0.588 2.920 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.206 1.418 0.757 1.00 0.48 H new ATOM 389 N LEU A 24 -5.758 -3.286 3.016 1.00 0.35 N ATOM 390 CA LEU A 24 -4.883 -3.909 3.993 1.00 0.37 C ATOM 391 C LEU A 24 -5.169 -5.401 4.160 1.00 0.39 C ATOM 392 O LEU A 24 -4.260 -6.226 4.087 1.00 0.48 O ATOM 393 CB LEU A 24 -5.009 -3.189 5.334 1.00 0.40 C ATOM 394 CG LEU A 24 -3.920 -3.526 6.350 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.547 -3.241 5.764 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.125 -2.728 7.625 1.00 0.44 C ATOM 0 H LEU A 24 -6.712 -3.118 3.335 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.861 -3.820 3.625 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -4.998 -2.114 5.155 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.979 -3.430 5.769 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.983 -4.587 6.590 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.780 -3.486 6.499 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.400 -3.847 4.870 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.475 -2.185 5.502 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.342 -2.978 8.341 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.083 -1.663 7.398 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.098 -2.970 8.053 1.00 0.44 H new ATOM 408 N GLU A 25 -6.428 -5.750 4.369 1.00 0.40 N ATOM 409 CA GLU A 25 -6.789 -7.125 4.696 1.00 0.46 C ATOM 410 C GLU A 25 -6.987 -7.967 3.442 1.00 0.54 C ATOM 411 O GLU A 25 -7.157 -9.185 3.521 1.00 1.01 O ATOM 412 CB GLU A 25 -8.058 -7.141 5.540 1.00 0.51 C ATOM 413 CG GLU A 25 -7.910 -6.408 6.856 1.00 0.66 C ATOM 414 CD GLU A 25 -9.181 -6.422 7.672 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.845 -7.476 7.729 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.513 -5.384 8.274 1.00 1.18 O ATOM 0 H GLU A 25 -7.216 -5.105 4.319 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.967 -7.561 5.263 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.871 -6.690 4.970 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.342 -8.175 5.738 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.106 -6.864 7.434 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.618 -5.376 6.662 1.00 0.66 H new ATOM 423 N GLY A 26 -6.950 -7.325 2.290 1.00 0.37 N ATOM 424 CA GLY A 26 -7.201 -8.031 1.049 1.00 0.45 C ATOM 425 C GLY A 26 -6.007 -8.024 0.129 1.00 0.48 C ATOM 426 O GLY A 26 -6.155 -8.096 -1.086 1.00 0.83 O ATOM 0 H GLY A 26 -6.751 -6.330 2.188 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.479 -9.061 1.271 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.050 -7.574 0.540 1.00 0.45 H new ATOM 430 N PHE A 27 -4.824 -7.983 0.716 1.00 0.42 N ATOM 431 CA PHE A 27 -3.585 -7.815 -0.033 1.00 0.44 C ATOM 432 C PHE A 27 -3.493 -8.789 -1.222 1.00 0.47 C ATOM 433 O PHE A 27 -3.300 -8.359 -2.358 1.00 0.53 O ATOM 434 CB PHE A 27 -2.389 -7.997 0.907 1.00 0.48 C ATOM 435 CG PHE A 27 -1.208 -7.121 0.595 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.186 -6.332 -0.546 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.119 -7.083 1.453 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.102 -5.523 -0.824 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.969 -6.274 1.177 1.00 0.74 C ATOM 440 CZ PHE A 27 0.976 -5.494 0.038 1.00 0.71 C ATOM 0 H PHE A 27 -4.692 -8.065 1.724 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.574 -6.807 -0.446 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.713 -7.797 1.928 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.071 -9.039 0.871 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.026 -6.351 -1.224 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.120 -7.691 2.346 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.097 -4.913 -1.715 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.812 -6.253 1.852 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.824 -4.862 -0.179 1.00 0.71 H new ATOM 450 N PRO A 28 -3.650 -10.110 -0.999 1.00 0.49 N ATOM 451 CA PRO A 28 -3.509 -11.097 -2.069 1.00 0.57 C ATOM 452 C PRO A 28 -4.810 -11.425 -2.812 1.00 0.59 C ATOM 453 O PRO A 28 -4.910 -12.484 -3.433 1.00 0.76 O ATOM 454 CB PRO A 28 -3.037 -12.311 -1.284 1.00 0.73 C ATOM 455 CG PRO A 28 -3.813 -12.239 -0.018 1.00 0.74 C ATOM 456 CD PRO A 28 -3.930 -10.771 0.301 1.00 0.52 C ATOM 0 HA PRO A 28 -2.849 -10.746 -2.863 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -3.236 -13.238 -1.823 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.964 -12.274 -1.098 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.796 -12.695 -0.134 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.306 -12.775 0.784 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.923 -10.519 0.674 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.216 -10.469 1.067 1.00 0.52 H new ATOM 464 N GLU A 29 -5.807 -10.543 -2.773 1.00 0.54 N ATOM 465 CA GLU A 29 -7.082 -10.865 -3.417 1.00 0.67 C ATOM 466 C GLU A 29 -7.388 -9.971 -4.619 1.00 0.69 C ATOM 467 O GLU A 29 -8.264 -10.298 -5.420 1.00 0.85 O ATOM 468 CB GLU A 29 -8.244 -10.807 -2.419 1.00 0.85 C ATOM 469 CG GLU A 29 -8.675 -9.400 -2.043 1.00 0.90 C ATOM 470 CD GLU A 29 -9.895 -9.393 -1.140 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.725 -9.424 0.096 1.00 1.21 O ATOM 472 OE2 GLU A 29 -11.029 -9.349 -1.662 1.00 1.49 O ATOM 0 H GLU A 29 -5.764 -9.630 -2.320 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.976 -11.885 -3.786 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.098 -11.335 -2.843 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.957 -11.341 -1.513 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.851 -8.892 -1.541 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.893 -8.835 -2.949 1.00 0.90 H new ATOM 479 N TRP A 30 -6.691 -8.845 -4.757 1.00 0.64 N ATOM 480 CA TRP A 30 -6.945 -7.964 -5.897 1.00 0.81 C ATOM 481 C TRP A 30 -6.241 -8.515 -7.139 1.00 0.66 C ATOM 482 O TRP A 30 -5.611 -9.569 -7.082 1.00 0.74 O ATOM 483 CB TRP A 30 -6.465 -6.523 -5.658 1.00 1.07 C ATOM 484 CG TRP A 30 -6.453 -6.057 -4.238 1.00 1.18 C ATOM 485 CD1 TRP A 30 -7.371 -6.313 -3.263 1.00 0.50 C ATOM 486 CD2 TRP A 30 -5.465 -5.206 -3.649 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.990 -5.699 -2.095 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.826 -5.011 -2.312 1.00 2.05 C ATOM 489 CE3 TRP A 30 -4.300 -4.599 -4.125 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -5.066 -4.237 -1.442 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -3.548 -3.828 -3.261 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.934 -3.654 -1.931 1.00 4.29 C ATOM 0 H TRP A 30 -5.966 -8.526 -4.114 1.00 0.64 H new ATOM 0 HA TRP A 30 -8.026 -7.935 -6.038 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.456 -6.428 -6.058 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -7.101 -5.850 -6.234 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -8.263 -6.909 -3.390 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.493 -5.748 -1.209 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.993 -4.731 -5.152 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.362 -4.102 -0.412 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -2.647 -3.352 -3.620 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -3.325 -3.047 -1.277 1.00 4.29 H new ATOM 503 N TRP A 31 -6.319 -7.786 -8.251 1.00 0.55 N ATOM 504 CA TRP A 31 -5.697 -8.243 -9.490 1.00 0.57 C ATOM 505 C TRP A 31 -4.530 -7.354 -10.019 1.00 0.60 C ATOM 506 O TRP A 31 -4.165 -7.497 -11.185 1.00 0.74 O ATOM 507 CB TRP A 31 -6.773 -8.400 -10.577 1.00 0.74 C ATOM 508 CG TRP A 31 -7.487 -7.128 -10.960 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.335 -6.382 -10.186 1.00 0.69 C ATOM 510 CD2 TRP A 31 -7.432 -6.471 -12.233 1.00 1.24 C ATOM 511 NE1 TRP A 31 -8.800 -5.303 -10.899 1.00 1.10 N ATOM 512 CE2 TRP A 31 -8.261 -5.336 -12.156 1.00 1.54 C ATOM 513 CE3 TRP A 31 -6.757 -6.731 -13.428 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -8.434 -4.465 -13.228 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -6.930 -5.867 -14.491 1.00 2.53 C ATOM 516 CH2 TRP A 31 -7.761 -4.745 -14.387 1.00 2.78 C ATOM 0 H TRP A 31 -6.800 -6.889 -8.319 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.234 -9.200 -9.248 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.308 -8.820 -11.469 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -7.512 -9.123 -10.233 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.600 -6.609 -9.164 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -9.443 -4.593 -10.548 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -6.112 -7.592 -13.519 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -9.076 -3.600 -13.148 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -6.415 -6.060 -15.420 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -7.873 -4.088 -15.237 1.00 2.78 H new ATOM 527 N PRO A 32 -3.897 -6.439 -9.222 1.00 0.71 N ATOM 528 CA PRO A 32 -2.743 -5.680 -9.711 1.00 0.84 C ATOM 529 C PRO A 32 -1.415 -6.431 -9.549 1.00 0.85 C ATOM 530 O PRO A 32 -1.310 -7.616 -9.862 1.00 1.36 O ATOM 531 CB PRO A 32 -2.754 -4.423 -8.842 1.00 1.01 C ATOM 532 CG PRO A 32 -3.426 -4.812 -7.568 1.00 0.92 C ATOM 533 CD PRO A 32 -4.256 -6.036 -7.850 1.00 0.87 C ATOM 0 HA PRO A 32 -2.818 -5.484 -10.781 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.740 -4.068 -8.656 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.291 -3.612 -9.335 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.688 -5.019 -6.793 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.053 -3.999 -7.202 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.040 -6.831 -7.137 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.321 -5.817 -7.770 1.00 0.87 H new ATOM 541 N ASN A 33 -0.404 -5.723 -9.051 1.00 0.53 N ATOM 542 CA ASN A 33 0.952 -6.264 -8.928 1.00 0.57 C ATOM 543 C ASN A 33 1.003 -7.384 -7.895 1.00 0.67 C ATOM 544 O ASN A 33 1.844 -8.282 -7.967 1.00 0.72 O ATOM 545 CB ASN A 33 1.921 -5.143 -8.540 1.00 0.60 C ATOM 546 CG ASN A 33 3.317 -5.646 -8.204 1.00 0.82 C ATOM 547 OD1 ASN A 33 4.133 -5.901 -9.088 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.610 -5.766 -6.918 1.00 0.76 N ATOM 0 H ASN A 33 -0.498 -4.762 -8.722 1.00 0.53 H new ATOM 0 HA ASN A 33 1.247 -6.681 -9.891 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.987 -4.429 -9.361 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.519 -4.605 -7.681 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.538 -6.079 -6.633 1.00 0.76 H new ATOM 0 HD22 ASN A 33 2.907 -5.545 -6.212 1.00 0.76 H new ATOM 555 N ASN A 34 0.075 -7.334 -6.957 1.00 0.85 N ATOM 556 CA ASN A 34 0.006 -8.310 -5.874 1.00 1.03 C ATOM 557 C ASN A 34 -0.785 -9.543 -6.299 1.00 1.40 C ATOM 558 O ASN A 34 -1.249 -10.322 -5.469 1.00 1.74 O ATOM 559 CB ASN A 34 -0.624 -7.666 -4.641 1.00 1.07 C ATOM 560 CG ASN A 34 -1.750 -6.737 -5.014 1.00 1.16 C ATOM 561 OD1 ASN A 34 -1.534 -5.552 -5.255 1.00 1.79 O ATOM 562 ND2 ASN A 34 -2.952 -7.269 -5.095 1.00 1.47 N ATOM 0 H ASN A 34 -0.652 -6.620 -6.920 1.00 0.85 H new ATOM 0 HA ASN A 34 1.018 -8.633 -5.630 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -0.999 -8.443 -3.975 1.00 1.07 H new ATOM 0 HB3 ASN A 34 0.137 -7.113 -4.090 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -3.748 -6.692 -5.367 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -3.087 -8.258 -4.886 1.00 1.47 H new ATOM 569 N PHE A 35 -0.929 -9.713 -7.605 1.00 1.51 N ATOM 570 CA PHE A 35 -1.551 -10.905 -8.162 1.00 1.98 C ATOM 571 C PHE A 35 -0.515 -12.028 -8.245 1.00 2.03 C ATOM 572 O PHE A 35 -0.825 -13.164 -8.605 1.00 2.51 O ATOM 573 CB PHE A 35 -2.127 -10.586 -9.547 1.00 2.40 C ATOM 574 CG PHE A 35 -3.045 -11.641 -10.098 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.648 -12.434 -11.162 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.304 -11.837 -9.553 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.488 -13.403 -11.671 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.149 -12.806 -10.059 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.740 -13.589 -11.121 1.00 4.45 C ATOM 0 H PHE A 35 -0.621 -9.036 -8.303 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.367 -11.233 -7.518 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.670 -9.642 -9.492 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.302 -10.439 -10.245 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.670 -12.292 -11.598 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.628 -11.226 -8.724 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.166 -14.016 -12.500 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.127 -12.951 -9.625 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.399 -14.346 -11.520 1.00 4.45 H new ATOM 589 N ARG A 36 0.720 -11.695 -7.894 1.00 1.65 N ATOM 590 CA ARG A 36 1.813 -12.654 -7.923 1.00 1.75 C ATOM 591 C ARG A 36 2.193 -13.064 -6.501 1.00 1.59 C ATOM 592 O ARG A 36 1.833 -12.388 -5.539 1.00 1.48 O ATOM 593 CB ARG A 36 3.031 -12.056 -8.630 1.00 1.73 C ATOM 594 CG ARG A 36 2.723 -11.423 -9.981 1.00 1.84 C ATOM 595 CD ARG A 36 2.194 -12.433 -10.988 1.00 2.25 C ATOM 596 NE ARG A 36 2.008 -11.828 -12.305 1.00 2.72 N ATOM 597 CZ ARG A 36 1.158 -12.278 -13.226 1.00 3.34 C ATOM 598 NH1 ARG A 36 0.397 -13.339 -12.980 1.00 3.59 N ATOM 599 NH2 ARG A 36 1.070 -11.656 -14.392 1.00 4.14 N ATOM 0 H ARG A 36 0.990 -10.761 -7.584 1.00 1.65 H new ATOM 0 HA ARG A 36 1.483 -13.535 -8.473 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.479 -11.302 -7.982 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.776 -12.839 -8.770 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.989 -10.628 -9.848 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.627 -10.959 -10.376 1.00 1.84 H new ATOM 0 HD2 ARG A 36 2.889 -13.269 -11.065 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.246 -12.838 -10.635 1.00 2.25 H new ATOM 0 HE ARG A 36 2.567 -11.006 -12.534 1.00 2.72 H new ATOM 0 HH11 ARG A 36 0.461 -13.815 -12.080 1.00 3.59 H new ATOM 0 HH12 ARG A 36 -0.252 -13.677 -13.691 1.00 3.59 H new ATOM 0 HH21 ARG A 36 1.651 -10.839 -14.579 1.00 4.14 H new ATOM 0 HH22 ARG A 36 0.421 -11.994 -15.103 1.00 4.14 H new ATOM 613 N THR A 37 2.936 -14.152 -6.378 1.00 1.75 N ATOM 614 CA THR A 37 3.334 -14.664 -5.075 1.00 1.72 C ATOM 615 C THR A 37 4.748 -14.223 -4.716 1.00 1.37 C ATOM 616 O THR A 37 5.594 -14.051 -5.594 1.00 1.37 O ATOM 617 CB THR A 37 3.237 -16.201 -5.023 1.00 2.19 C ATOM 618 OG1 THR A 37 3.564 -16.762 -6.303 1.00 2.53 O ATOM 619 CG2 THR A 37 1.843 -16.645 -4.608 1.00 2.68 C ATOM 0 H THR A 37 3.277 -14.700 -7.168 1.00 1.75 H new ATOM 0 HA THR A 37 2.642 -14.247 -4.343 1.00 1.72 H new ATOM 0 HB THR A 37 3.950 -16.559 -4.280 1.00 2.19 H new ATOM 0 HG1 THR A 37 3.501 -17.739 -6.258 1.00 2.53 H new ATOM 0 HG21 THR A 37 1.801 -17.734 -4.579 1.00 2.68 H new ATOM 0 HG22 THR A 37 1.613 -16.247 -3.620 1.00 2.68 H new ATOM 0 HG23 THR A 37 1.113 -16.273 -5.327 1.00 2.68 H new ATOM 627 N THR A 38 4.976 -14.018 -3.420 1.00 1.24 N ATOM 628 CA THR A 38 6.254 -13.539 -2.882 1.00 1.07 C ATOM 629 C THR A 38 6.699 -12.238 -3.543 1.00 1.09 C ATOM 630 O THR A 38 7.886 -11.909 -3.596 1.00 1.38 O ATOM 631 CB THR A 38 7.369 -14.601 -2.925 1.00 1.16 C ATOM 632 OG1 THR A 38 7.451 -15.233 -4.210 1.00 1.42 O ATOM 633 CG2 THR A 38 7.129 -15.643 -1.850 1.00 1.37 C ATOM 0 H THR A 38 4.270 -14.181 -2.702 1.00 1.24 H new ATOM 0 HA THR A 38 6.070 -13.331 -1.828 1.00 1.07 H new ATOM 0 HB THR A 38 8.318 -14.097 -2.742 1.00 1.16 H new ATOM 0 HG1 THR A 38 7.099 -14.627 -4.895 1.00 1.42 H new ATOM 0 HG21 THR A 38 7.921 -16.391 -1.885 1.00 1.37 H new ATOM 0 HG22 THR A 38 7.127 -15.163 -0.872 1.00 1.37 H new ATOM 0 HG23 THR A 38 6.166 -16.125 -2.019 1.00 1.37 H new ATOM 641 N LYS A 39 5.716 -11.510 -4.049 1.00 0.96 N ATOM 642 CA LYS A 39 5.901 -10.128 -4.440 1.00 1.09 C ATOM 643 C LYS A 39 5.125 -9.233 -3.489 1.00 1.22 C ATOM 644 O LYS A 39 5.671 -8.267 -2.968 1.00 1.97 O ATOM 645 CB LYS A 39 5.456 -9.871 -5.883 1.00 1.15 C ATOM 646 CG LYS A 39 6.488 -10.279 -6.920 1.00 1.49 C ATOM 647 CD LYS A 39 6.570 -9.261 -8.050 1.00 1.66 C ATOM 648 CE LYS A 39 5.342 -9.294 -8.947 1.00 2.28 C ATOM 649 NZ LYS A 39 5.402 -8.262 -10.022 1.00 2.90 N ATOM 0 H LYS A 39 4.771 -11.863 -4.199 1.00 0.96 H new ATOM 0 HA LYS A 39 6.966 -9.902 -4.387 1.00 1.09 H new ATOM 0 HB2 LYS A 39 4.530 -10.414 -6.071 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.233 -8.811 -6.002 1.00 1.15 H new ATOM 0 HG2 LYS A 39 7.464 -10.378 -6.445 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.231 -11.257 -7.327 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.683 -8.262 -7.629 1.00 1.66 H new ATOM 0 HD3 LYS A 39 7.460 -9.457 -8.648 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.250 -10.282 -9.399 1.00 2.28 H new ATOM 0 HE3 LYS A 39 4.449 -9.136 -8.343 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 4.915 -8.616 -10.870 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 4.937 -7.391 -9.694 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 6.395 -8.058 -10.253 1.00 2.90 H new ATOM 663 N VAL A 40 3.842 -9.572 -3.299 1.00 1.04 N ATOM 664 CA VAL A 40 2.941 -8.891 -2.350 1.00 1.22 C ATOM 665 C VAL A 40 1.570 -9.570 -2.341 1.00 1.42 C ATOM 666 O VAL A 40 0.563 -8.938 -2.032 1.00 1.83 O ATOM 667 CB VAL A 40 2.711 -7.393 -2.681 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.681 -6.498 -1.920 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.798 -7.153 -4.180 1.00 1.40 C ATOM 0 H VAL A 40 3.393 -10.335 -3.805 1.00 1.04 H new ATOM 0 HA VAL A 40 3.435 -8.960 -1.381 1.00 1.22 H new ATOM 0 HB VAL A 40 1.705 -7.130 -2.355 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.491 -5.456 -2.176 1.00 1.78 H new ATOM 0 HG12 VAL A 40 3.542 -6.640 -0.848 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.704 -6.758 -2.191 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.634 -6.096 -4.389 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.785 -7.445 -4.538 1.00 1.40 H new ATOM 0 HG23 VAL A 40 2.038 -7.746 -4.688 1.00 1.40 H new ATOM 679 N GLY A 41 1.531 -10.865 -2.643 1.00 1.42 N ATOM 680 CA GLY A 41 0.252 -11.517 -2.867 1.00 1.82 C ATOM 681 C GLY A 41 0.268 -13.018 -2.636 1.00 1.67 C ATOM 682 O GLY A 41 -0.484 -13.753 -3.277 1.00 2.17 O ATOM 0 H GLY A 41 2.349 -11.467 -2.736 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.492 -11.068 -2.209 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.068 -11.322 -3.891 1.00 1.82 H new ATOM 686 N ALA A 42 1.120 -13.484 -1.739 1.00 1.12 N ATOM 687 CA ALA A 42 1.094 -14.883 -1.325 1.00 1.00 C ATOM 688 C ALA A 42 -0.040 -15.101 -0.326 1.00 1.01 C ATOM 689 O ALA A 42 -0.649 -14.127 0.123 1.00 1.09 O ATOM 690 CB ALA A 42 2.433 -15.279 -0.717 1.00 0.80 C ATOM 0 H ALA A 42 1.837 -12.920 -1.283 1.00 1.12 H new ATOM 0 HA ALA A 42 0.919 -15.513 -2.197 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.399 -16.325 -0.413 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.223 -15.141 -1.455 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.637 -14.654 0.153 1.00 0.80 H new ATOM 696 N PRO A 43 -0.357 -16.366 0.030 1.00 1.05 N ATOM 697 CA PRO A 43 -1.390 -16.669 1.032 1.00 1.15 C ATOM 698 C PRO A 43 -1.041 -16.131 2.425 1.00 1.08 C ATOM 699 O PRO A 43 -0.670 -16.889 3.326 1.00 1.40 O ATOM 700 CB PRO A 43 -1.452 -18.202 1.047 1.00 1.29 C ATOM 701 CG PRO A 43 -0.151 -18.645 0.471 1.00 1.48 C ATOM 702 CD PRO A 43 0.230 -17.597 -0.533 1.00 1.11 C ATOM 0 HA PRO A 43 -2.339 -16.197 0.779 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.585 -18.582 2.060 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.291 -18.569 0.456 1.00 1.29 H new ATOM 0 HG2 PRO A 43 0.609 -18.738 1.247 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -0.245 -19.623 -0.001 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.312 -17.516 -0.640 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -0.172 -17.820 -1.521 1.00 1.11 H new ATOM 710 N LEU A 44 -1.126 -14.815 2.566 1.00 0.87 N ATOM 711 CA LEU A 44 -0.945 -14.134 3.837 1.00 0.85 C ATOM 712 C LEU A 44 -1.369 -12.674 3.703 1.00 0.81 C ATOM 713 O LEU A 44 -2.537 -12.343 3.905 1.00 1.24 O ATOM 714 CB LEU A 44 0.505 -14.229 4.325 1.00 0.95 C ATOM 715 CG LEU A 44 0.829 -13.391 5.565 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.130 -13.709 6.703 1.00 1.75 C ATOM 717 CD2 LEU A 44 2.263 -13.637 5.999 1.00 1.66 C ATOM 0 H LEU A 44 -1.325 -14.184 1.790 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.572 -14.626 4.580 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.731 -15.273 4.542 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.166 -13.921 3.515 1.00 0.95 H new ATOM 0 HG LEU A 44 0.711 -12.338 5.308 1.00 1.26 H new ATOM 0 HD11 LEU A 44 0.122 -13.101 7.572 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.151 -13.490 6.390 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.049 -14.764 6.963 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.484 -13.037 6.882 1.00 1.66 H new ATOM 0 HD22 LEU A 44 2.395 -14.693 6.236 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.940 -13.358 5.192 1.00 1.66 H new ATOM 729 N GLY A 45 -0.427 -11.808 3.347 1.00 0.61 N ATOM 730 CA GLY A 45 -0.760 -10.424 3.115 1.00 0.75 C ATOM 731 C GLY A 45 -0.217 -9.511 4.191 1.00 0.61 C ATOM 732 O GLY A 45 0.900 -9.016 4.084 1.00 0.61 O ATOM 0 H GLY A 45 0.557 -12.043 3.216 1.00 0.61 H new ATOM 0 HA2 GLY A 45 -0.364 -10.116 2.147 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -1.844 -10.318 3.065 1.00 0.75 H new ATOM 736 N VAL A 46 -0.993 -9.307 5.243 1.00 0.54 N ATOM 737 CA VAL A 46 -0.650 -8.332 6.268 1.00 0.45 C ATOM 738 C VAL A 46 -0.972 -8.862 7.659 1.00 0.47 C ATOM 739 O VAL A 46 -2.003 -9.505 7.865 1.00 0.60 O ATOM 740 CB VAL A 46 -1.417 -7.001 6.064 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.040 -5.988 7.132 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.164 -6.426 4.681 1.00 0.49 C ATOM 0 H VAL A 46 -1.867 -9.805 5.411 1.00 0.54 H new ATOM 0 HA VAL A 46 0.421 -8.151 6.180 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.481 -7.219 6.153 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.592 -5.063 6.967 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.287 -6.387 8.116 1.00 0.52 H new ATOM 0 HG13 VAL A 46 0.030 -5.787 7.081 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.716 -5.493 4.569 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.098 -6.235 4.556 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.496 -7.137 3.925 1.00 0.49 H new ATOM 752 N ASP A 47 -0.087 -8.588 8.605 1.00 0.41 N ATOM 753 CA ASP A 47 -0.334 -8.911 9.998 1.00 0.49 C ATOM 754 C ASP A 47 -0.826 -7.660 10.710 1.00 0.52 C ATOM 755 O ASP A 47 -0.059 -6.718 10.928 1.00 0.57 O ATOM 756 CB ASP A 47 0.935 -9.428 10.669 1.00 0.58 C ATOM 757 CG ASP A 47 0.655 -10.002 12.043 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.568 -11.237 12.166 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.532 -9.217 13.012 1.00 0.95 O ATOM 0 H ASP A 47 0.813 -8.140 8.430 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.088 -9.696 10.056 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.391 -10.194 10.042 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.657 -8.616 10.755 1.00 0.58 H new ATOM 764 N LYS A 48 -2.105 -7.650 11.054 1.00 0.63 N ATOM 765 CA LYS A 48 -2.760 -6.447 11.567 1.00 0.79 C ATOM 766 C LYS A 48 -2.452 -6.183 13.037 1.00 0.85 C ATOM 767 O LYS A 48 -2.647 -5.067 13.520 1.00 1.06 O ATOM 768 CB LYS A 48 -4.270 -6.551 11.394 1.00 1.01 C ATOM 769 CG LYS A 48 -4.722 -6.640 9.947 1.00 1.38 C ATOM 770 CD LYS A 48 -6.214 -6.384 9.835 1.00 1.34 C ATOM 771 CE LYS A 48 -6.560 -4.986 10.315 1.00 2.06 C ATOM 772 NZ LYS A 48 -8.028 -4.754 10.367 1.00 2.81 N ATOM 0 H LYS A 48 -2.716 -8.464 10.988 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.364 -5.614 10.987 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.627 -7.430 11.930 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.739 -5.683 11.858 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.177 -5.913 9.345 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.486 -7.626 9.547 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.532 -6.507 8.800 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.759 -7.121 10.425 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -6.134 -4.829 11.306 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -6.102 -4.253 9.651 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -8.217 -3.818 10.780 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -8.420 -4.794 9.405 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -8.475 -5.488 10.953 1.00 2.81 H new ATOM 786 N LYS A 49 -1.994 -7.198 13.749 1.00 0.80 N ATOM 787 CA LYS A 49 -1.754 -7.059 15.178 1.00 0.97 C ATOM 788 C LYS A 49 -0.334 -6.571 15.448 1.00 1.14 C ATOM 789 O LYS A 49 -0.128 -5.663 16.254 1.00 1.32 O ATOM 790 CB LYS A 49 -2.040 -8.376 15.908 1.00 1.08 C ATOM 791 CG LYS A 49 -1.282 -9.572 15.361 1.00 1.35 C ATOM 792 CD LYS A 49 -1.695 -10.855 16.058 1.00 1.66 C ATOM 793 CE LYS A 49 -0.932 -12.055 15.524 1.00 2.40 C ATOM 794 NZ LYS A 49 -1.117 -12.233 14.061 1.00 3.17 N ATOM 0 H LYS A 49 -1.782 -8.120 13.367 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.440 -6.307 15.567 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.791 -8.255 16.962 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -3.109 -8.583 15.854 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.466 -9.662 14.290 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -0.211 -9.415 15.489 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.520 -10.760 17.130 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -2.765 -11.014 15.923 1.00 1.66 H new ATOM 0 HE2 LYS A 49 0.129 -11.935 15.742 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -1.264 -12.954 16.042 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -1.114 -13.247 13.832 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -2.025 -11.816 13.773 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -0.342 -11.761 13.553 1.00 3.17 H new ATOM 808 N GLY A 50 0.638 -7.163 14.762 1.00 1.22 N ATOM 809 CA GLY A 50 2.010 -6.722 14.891 1.00 1.53 C ATOM 810 C GLY A 50 2.266 -5.480 14.070 1.00 1.14 C ATOM 811 O GLY A 50 3.000 -4.583 14.487 1.00 1.29 O ATOM 0 H GLY A 50 0.497 -7.942 14.118 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.233 -6.520 15.939 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.682 -7.518 14.570 1.00 1.53 H new ATOM 815 N GLY A 51 1.665 -5.434 12.892 1.00 0.77 N ATOM 816 CA GLY A 51 1.766 -4.265 12.054 1.00 0.65 C ATOM 817 C GLY A 51 2.843 -4.405 11.008 1.00 0.56 C ATOM 818 O GLY A 51 3.779 -3.611 10.963 1.00 0.60 O ATOM 0 H GLY A 51 1.106 -6.192 12.502 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.808 -4.087 11.565 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.975 -3.393 12.674 1.00 0.65 H new ATOM 822 N ARG A 52 2.730 -5.428 10.173 1.00 0.51 N ATOM 823 CA ARG A 52 3.680 -5.612 9.093 1.00 0.53 C ATOM 824 C ARG A 52 3.087 -6.494 8.012 1.00 0.50 C ATOM 825 O ARG A 52 2.372 -7.451 8.306 1.00 0.60 O ATOM 826 CB ARG A 52 5.005 -6.203 9.602 1.00 0.68 C ATOM 827 CG ARG A 52 4.921 -7.626 10.140 1.00 1.04 C ATOM 828 CD ARG A 52 4.356 -7.664 11.551 1.00 1.42 C ATOM 829 NE ARG A 52 5.037 -6.710 12.430 1.00 2.14 N ATOM 830 CZ ARG A 52 5.629 -7.039 13.574 1.00 2.80 C ATOM 831 NH1 ARG A 52 5.659 -8.305 13.971 1.00 2.98 N ATOM 832 NH2 ARG A 52 6.197 -6.096 14.316 1.00 3.72 N ATOM 0 H ARG A 52 1.997 -6.135 10.224 1.00 0.51 H new ATOM 0 HA ARG A 52 3.896 -4.631 8.669 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.729 -6.183 8.788 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.393 -5.557 10.390 1.00 0.68 H new ATOM 0 HG2 ARG A 52 4.294 -8.227 9.481 1.00 1.04 H new ATOM 0 HG3 ARG A 52 5.914 -8.076 10.134 1.00 1.04 H new ATOM 0 HD2 ARG A 52 3.290 -7.437 11.523 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.457 -8.670 11.957 1.00 1.42 H new ATOM 0 HE ARG A 52 5.058 -5.731 12.146 1.00 2.14 H new ATOM 0 HH11 ARG A 52 5.227 -9.030 13.398 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.114 -8.553 14.849 1.00 2.98 H new ATOM 0 HH21 ARG A 52 6.178 -5.124 14.008 1.00 3.72 H new ATOM 0 HH22 ARG A 52 6.652 -6.344 15.194 1.00 3.72 H new ATOM 846 N TRP A 53 3.363 -6.159 6.765 1.00 0.52 N ATOM 847 CA TRP A 53 2.883 -6.972 5.655 1.00 0.53 C ATOM 848 C TRP A 53 3.987 -7.860 5.128 1.00 0.57 C ATOM 849 O TRP A 53 5.126 -7.415 4.973 1.00 0.73 O ATOM 850 CB TRP A 53 2.291 -6.144 4.513 1.00 0.65 C ATOM 851 CG TRP A 53 2.900 -4.801 4.348 1.00 0.55 C ATOM 852 CD1 TRP A 53 2.741 -3.761 5.191 1.00 0.53 C ATOM 853 CD2 TRP A 53 3.733 -4.344 3.280 1.00 0.73 C ATOM 854 NE1 TRP A 53 3.428 -2.669 4.736 1.00 0.68 N ATOM 855 CE2 TRP A 53 4.048 -3.001 3.551 1.00 0.82 C ATOM 856 CE3 TRP A 53 4.244 -4.938 2.122 1.00 0.95 C ATOM 857 CZ2 TRP A 53 4.853 -2.241 2.705 1.00 1.11 C ATOM 858 CZ3 TRP A 53 5.045 -4.183 1.284 1.00 1.20 C ATOM 859 CH2 TRP A 53 5.342 -2.847 1.580 1.00 1.28 C ATOM 0 H TRP A 53 3.909 -5.341 6.494 1.00 0.52 H new ATOM 0 HA TRP A 53 2.076 -7.586 6.055 1.00 0.53 H new ATOM 0 HB2 TRP A 53 2.406 -6.698 3.582 1.00 0.65 H new ATOM 0 HB3 TRP A 53 1.221 -6.026 4.683 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.154 -3.786 6.097 1.00 0.53 H new ATOM 0 HE1 TRP A 53 3.474 -1.760 5.197 1.00 0.68 H new ATOM 0 HE3 TRP A 53 4.018 -5.967 1.886 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 5.083 -1.210 2.929 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 5.448 -4.631 0.388 1.00 1.20 H new ATOM 0 HH2 TRP A 53 5.970 -2.283 0.906 1.00 1.28 H new ATOM 870 N TYR A 54 3.650 -9.118 4.883 1.00 0.49 N ATOM 871 CA TYR A 54 4.602 -10.076 4.359 1.00 0.58 C ATOM 872 C TYR A 54 3.877 -11.293 3.785 1.00 0.49 C ATOM 873 O TYR A 54 2.641 -11.359 3.801 1.00 0.52 O ATOM 874 CB TYR A 54 5.622 -10.475 5.433 1.00 0.75 C ATOM 875 CG TYR A 54 5.061 -11.191 6.644 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.547 -12.439 6.984 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.076 -10.624 7.452 1.00 0.61 C ATOM 878 CE1 TYR A 54 5.083 -13.113 8.090 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.600 -11.295 8.564 1.00 0.95 C ATOM 880 CZ TYR A 54 4.110 -12.540 8.880 1.00 1.20 C ATOM 881 OH TYR A 54 3.648 -13.210 9.991 1.00 1.66 O ATOM 0 H TYR A 54 2.716 -9.497 5.041 1.00 0.49 H new ATOM 0 HA TYR A 54 5.155 -9.608 3.545 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.374 -11.116 4.972 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.135 -9.575 5.772 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.308 -12.895 6.368 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.680 -9.650 7.207 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.479 -14.087 8.338 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.835 -10.849 9.181 1.00 0.95 H new ATOM 0 HH TYR A 54 2.965 -12.669 10.439 1.00 1.66 H new ATOM 891 N GLU A 55 4.637 -12.255 3.283 1.00 0.52 N ATOM 892 CA GLU A 55 4.060 -13.367 2.539 1.00 0.56 C ATOM 893 C GLU A 55 4.613 -14.692 3.021 1.00 0.62 C ATOM 894 O GLU A 55 5.422 -14.725 3.929 1.00 0.81 O ATOM 895 CB GLU A 55 4.348 -13.209 1.056 1.00 0.73 C ATOM 896 CG GLU A 55 3.753 -11.962 0.450 1.00 0.81 C ATOM 897 CD GLU A 55 4.206 -11.780 -0.968 1.00 1.51 C ATOM 898 OE1 GLU A 55 3.538 -12.314 -1.880 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.237 -11.130 -1.176 1.00 2.12 O ATOM 0 H GLU A 55 5.652 -12.289 3.376 1.00 0.52 H new ATOM 0 HA GLU A 55 2.983 -13.358 2.706 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.427 -13.196 0.904 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.962 -14.079 0.526 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.665 -12.022 0.482 1.00 0.81 H new ATOM 0 HG3 GLU A 55 4.042 -11.093 1.041 1.00 0.81 H new ATOM 906 N ILE A 56 4.129 -15.785 2.454 1.00 0.63 N ATOM 907 CA ILE A 56 4.727 -17.085 2.703 1.00 0.68 C ATOM 908 C ILE A 56 5.586 -17.483 1.512 1.00 0.70 C ATOM 909 O ILE A 56 5.074 -17.861 0.459 1.00 0.80 O ATOM 910 CB ILE A 56 3.667 -18.170 2.984 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.836 -17.781 4.209 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.331 -19.527 3.194 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.673 -17.503 5.441 1.00 0.90 C ATOM 0 H ILE A 56 3.328 -15.798 1.822 1.00 0.63 H new ATOM 0 HA ILE A 56 5.346 -17.004 3.597 1.00 0.68 H new ATOM 0 HB ILE A 56 3.005 -18.247 2.121 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.246 -16.895 3.972 1.00 0.90 H new ATOM 0 HG13 ILE A 56 2.132 -18.583 4.431 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.567 -20.279 3.391 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.889 -19.802 2.299 1.00 0.92 H new ATOM 0 HG23 ILE A 56 5.013 -19.471 4.043 1.00 0.92 H new ATOM 0 HD11 ILE A 56 3.020 -17.233 6.271 1.00 0.90 H new ATOM 0 HD12 ILE A 56 4.243 -18.395 5.702 1.00 0.90 H new ATOM 0 HD13 ILE A 56 4.359 -16.681 5.237 1.00 0.90 H new ATOM 925 N ASP A 57 6.894 -17.343 1.675 1.00 0.65 N ATOM 926 CA ASP A 57 7.836 -17.611 0.602 1.00 0.72 C ATOM 927 C ASP A 57 7.946 -19.083 0.270 1.00 0.76 C ATOM 928 O ASP A 57 8.070 -19.925 1.156 1.00 0.96 O ATOM 929 CB ASP A 57 9.212 -17.072 0.957 1.00 0.84 C ATOM 930 CG ASP A 57 9.233 -15.568 1.001 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.742 -14.961 0.040 1.00 1.71 O ATOM 932 OD2 ASP A 57 8.725 -15.000 1.983 1.00 1.97 O ATOM 0 H ASP A 57 7.328 -17.043 2.548 1.00 0.65 H new ATOM 0 HA ASP A 57 7.449 -17.102 -0.281 1.00 0.72 H new ATOM 0 HB2 ASP A 57 9.518 -17.468 1.926 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.939 -17.424 0.225 1.00 0.84 H new ATOM 937 N GLU A 58 7.943 -19.364 -1.027 1.00 0.87 N ATOM 938 CA GLU A 58 8.088 -20.718 -1.541 1.00 1.01 C ATOM 939 C GLU A 58 9.431 -21.324 -1.129 1.00 1.04 C ATOM 940 O GLU A 58 9.562 -22.542 -1.014 1.00 1.17 O ATOM 941 CB GLU A 58 7.952 -20.713 -3.067 1.00 1.35 C ATOM 942 CG GLU A 58 8.861 -19.706 -3.759 1.00 1.54 C ATOM 943 CD GLU A 58 8.698 -19.700 -5.266 1.00 2.04 C ATOM 944 OE1 GLU A 58 7.880 -18.909 -5.779 1.00 2.43 O ATOM 945 OE2 GLU A 58 9.372 -20.500 -5.948 1.00 2.21 O ATOM 0 H GLU A 58 7.839 -18.656 -1.754 1.00 0.87 H new ATOM 0 HA GLU A 58 7.297 -21.334 -1.113 1.00 1.01 H new ATOM 0 HB2 GLU A 58 8.174 -21.710 -3.446 1.00 1.35 H new ATOM 0 HB3 GLU A 58 6.917 -20.496 -3.330 1.00 1.35 H new ATOM 0 HG2 GLU A 58 8.651 -18.709 -3.372 1.00 1.54 H new ATOM 0 HG3 GLU A 58 9.898 -19.931 -3.512 1.00 1.54 H new ATOM 952 N GLN A 59 10.425 -20.471 -0.898 1.00 1.10 N ATOM 953 CA GLN A 59 11.742 -20.942 -0.486 1.00 1.36 C ATOM 954 C GLN A 59 11.797 -21.201 1.017 1.00 1.39 C ATOM 955 O GLN A 59 12.782 -21.734 1.528 1.00 1.70 O ATOM 956 CB GLN A 59 12.863 -19.973 -0.890 1.00 1.60 C ATOM 957 CG GLN A 59 12.515 -18.501 -0.745 1.00 1.69 C ATOM 958 CD GLN A 59 11.741 -17.986 -1.937 1.00 1.62 C ATOM 959 OE1 GLN A 59 11.915 -18.465 -3.058 1.00 2.39 O ATOM 960 NE2 GLN A 59 10.882 -17.016 -1.713 1.00 1.40 N ATOM 0 H GLN A 59 10.344 -19.458 -0.988 1.00 1.10 H new ATOM 0 HA GLN A 59 11.907 -21.882 -1.013 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.744 -20.185 -0.284 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.136 -20.167 -1.927 1.00 1.60 H new ATOM 0 HG2 GLN A 59 11.927 -18.354 0.161 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.430 -17.921 -0.628 1.00 1.69 H new ATOM 0 HE21 GLN A 59 10.766 -16.645 -0.770 1.00 1.40 H new ATOM 0 HE22 GLN A 59 10.332 -16.634 -2.482 1.00 1.40 H new ATOM 969 N GLY A 60 10.737 -20.831 1.723 1.00 1.19 N ATOM 970 CA GLY A 60 10.706 -21.020 3.158 1.00 1.39 C ATOM 971 C GLY A 60 10.737 -19.711 3.918 1.00 1.45 C ATOM 972 O GLY A 60 11.755 -19.360 4.510 1.00 2.29 O ATOM 0 H GLY A 60 9.899 -20.404 1.327 1.00 1.19 H new ATOM 0 HA2 GLY A 60 9.806 -21.572 3.429 1.00 1.39 H new ATOM 0 HA3 GLY A 60 11.557 -21.631 3.459 1.00 1.39 H new ATOM 976 N GLU A 61 9.615 -18.992 3.869 1.00 1.11 N ATOM 977 CA GLU A 61 9.420 -17.722 4.582 1.00 1.15 C ATOM 978 C GLU A 61 10.661 -16.824 4.627 1.00 1.26 C ATOM 979 O GLU A 61 11.337 -16.739 5.650 1.00 1.72 O ATOM 980 CB GLU A 61 8.907 -17.962 6.004 1.00 1.33 C ATOM 981 CG GLU A 61 7.444 -18.364 6.063 1.00 1.38 C ATOM 982 CD GLU A 61 6.754 -17.816 7.294 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.288 -18.610 8.139 1.00 1.77 O ATOM 984 OE2 GLU A 61 6.688 -16.577 7.425 1.00 2.31 O ATOM 0 H GLU A 61 8.801 -19.277 3.325 1.00 1.11 H new ATOM 0 HA GLU A 61 8.671 -17.186 3.999 1.00 1.15 H new ATOM 0 HB2 GLU A 61 9.508 -18.742 6.471 1.00 1.33 H new ATOM 0 HB3 GLU A 61 9.050 -17.055 6.591 1.00 1.33 H new ATOM 0 HG2 GLU A 61 6.933 -18.004 5.170 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.366 -19.451 6.058 1.00 1.38 H new ATOM 991 N GLU A 62 10.948 -16.152 3.523 1.00 1.06 N ATOM 992 CA GLU A 62 11.982 -15.117 3.503 1.00 1.20 C ATOM 993 C GLU A 62 11.427 -13.841 2.886 1.00 1.00 C ATOM 994 O GLU A 62 11.763 -13.470 1.761 1.00 1.08 O ATOM 995 CB GLU A 62 13.226 -15.580 2.741 1.00 1.54 C ATOM 996 CG GLU A 62 14.281 -16.214 3.629 1.00 1.98 C ATOM 997 CD GLU A 62 14.795 -15.261 4.690 1.00 2.16 C ATOM 998 OE1 GLU A 62 14.474 -15.457 5.882 1.00 2.61 O ATOM 999 OE2 GLU A 62 15.523 -14.308 4.339 1.00 2.56 O ATOM 0 H GLU A 62 10.483 -16.301 2.628 1.00 1.06 H new ATOM 0 HA GLU A 62 12.281 -14.918 4.532 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.928 -16.297 1.976 1.00 1.54 H new ATOM 0 HB3 GLU A 62 13.664 -14.726 2.224 1.00 1.54 H new ATOM 0 HG2 GLU A 62 13.863 -17.098 4.111 1.00 1.98 H new ATOM 0 HG3 GLU A 62 15.115 -16.551 3.013 1.00 1.98 H new ATOM 1006 N HIS A 63 10.583 -13.178 3.653 1.00 0.90 N ATOM 1007 CA HIS A 63 9.874 -11.990 3.217 1.00 0.85 C ATOM 1008 C HIS A 63 10.374 -10.751 3.932 1.00 0.92 C ATOM 1009 O HIS A 63 10.937 -10.841 5.023 1.00 1.22 O ATOM 1010 CB HIS A 63 8.401 -12.194 3.557 1.00 0.96 C ATOM 1011 CG HIS A 63 8.243 -13.067 4.764 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.554 -12.658 6.044 1.00 2.82 N ATOM 1013 CD2 HIS A 63 7.906 -14.366 4.858 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.416 -13.678 6.871 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.018 -14.728 6.178 1.00 3.37 N ATOM 0 H HIS A 63 10.367 -13.454 4.611 1.00 0.90 H new ATOM 0 HA HIS A 63 10.032 -11.845 2.148 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.929 -11.228 3.738 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.888 -12.645 2.708 1.00 0.96 H new ATOM 0 HD2 HIS A 63 7.603 -15.007 4.044 1.00 2.22 H new ATOM 0 HE1 HIS A 63 8.598 -13.657 7.935 1.00 3.72 H new ATOM 0 HE2 HIS A 63 7.826 -15.654 6.559 1.00 3.37 H new ATOM 1024 N THR A 64 10.150 -9.601 3.324 1.00 0.97 N ATOM 1025 CA THR A 64 10.372 -8.337 3.991 1.00 1.01 C ATOM 1026 C THR A 64 9.138 -7.999 4.824 1.00 1.50 C ATOM 1027 O THR A 64 8.039 -8.452 4.504 1.00 2.27 O ATOM 1028 CB THR A 64 10.644 -7.212 2.971 1.00 1.03 C ATOM 1029 OG1 THR A 64 9.601 -7.175 1.992 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.981 -7.413 2.272 1.00 1.44 C ATOM 0 H THR A 64 9.813 -9.519 2.365 1.00 0.97 H new ATOM 0 HA THR A 64 11.248 -8.423 4.634 1.00 1.01 H new ATOM 0 HB THR A 64 10.674 -6.268 3.516 1.00 1.03 H new ATOM 0 HG1 THR A 64 9.541 -6.274 1.612 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.144 -6.604 1.559 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.782 -7.412 3.011 1.00 1.44 H new ATOM 0 HG23 THR A 64 11.976 -8.366 1.744 1.00 1.44 H new ATOM 1038 N PHE A 65 9.307 -7.251 5.904 1.00 1.66 N ATOM 1039 CA PHE A 65 8.160 -6.865 6.716 1.00 2.32 C ATOM 1040 C PHE A 65 7.864 -5.379 6.550 1.00 1.96 C ATOM 1041 O PHE A 65 8.658 -4.524 6.950 1.00 2.43 O ATOM 1042 CB PHE A 65 8.364 -7.243 8.199 1.00 3.26 C ATOM 1043 CG PHE A 65 9.473 -6.509 8.913 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.798 -6.873 8.719 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.193 -5.453 9.763 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.818 -6.199 9.362 1.00 6.10 C ATOM 1047 CE2 PHE A 65 10.209 -4.777 10.410 1.00 5.77 C ATOM 1048 CZ PHE A 65 11.511 -5.164 10.244 1.00 6.48 C ATOM 0 H PHE A 65 10.207 -6.904 6.235 1.00 1.66 H new ATOM 0 HA PHE A 65 7.292 -7.422 6.363 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.431 -7.063 8.733 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.564 -8.313 8.258 1.00 3.26 H new ATOM 0 HD1 PHE A 65 11.035 -7.693 8.057 1.00 4.99 H new ATOM 0 HD2 PHE A 65 8.168 -5.154 9.922 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.847 -6.472 9.182 1.00 6.10 H new ATOM 0 HE2 PHE A 65 9.975 -3.939 11.050 1.00 5.77 H new ATOM 0 HZ PHE A 65 12.298 -4.669 10.794 1.00 6.48 H new ATOM 1058 N GLY A 66 6.735 -5.074 5.920 1.00 1.23 N ATOM 1059 CA GLY A 66 6.348 -3.696 5.728 1.00 0.93 C ATOM 1060 C GLY A 66 6.110 -3.014 7.045 1.00 0.80 C ATOM 1061 O GLY A 66 5.373 -3.524 7.885 1.00 0.96 O ATOM 0 H GLY A 66 6.083 -5.760 5.540 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.127 -3.169 5.178 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.443 -3.650 5.122 1.00 0.93 H new ATOM 1065 N LEU A 67 6.719 -1.862 7.227 1.00 0.64 N ATOM 1066 CA LEU A 67 6.731 -1.227 8.527 1.00 0.65 C ATOM 1067 C LEU A 67 5.415 -0.529 8.800 1.00 0.51 C ATOM 1068 O LEU A 67 5.279 0.654 8.530 1.00 0.54 O ATOM 1069 CB LEU A 67 7.840 -0.169 8.633 1.00 0.76 C ATOM 1070 CG LEU A 67 9.290 -0.627 8.468 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.590 -1.015 7.027 1.00 1.17 C ATOM 1072 CD2 LEU A 67 10.220 0.490 8.918 1.00 1.14 C ATOM 0 H LEU A 67 7.210 -1.348 6.495 1.00 0.64 H new ATOM 0 HA LEU A 67 6.905 -2.021 9.253 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.644 0.596 7.881 1.00 0.76 H new ATOM 0 HB3 LEU A 67 7.751 0.311 9.607 1.00 0.76 H new ATOM 0 HG LEU A 67 9.449 -1.512 9.085 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.629 -1.335 6.945 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.934 -1.831 6.726 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.423 -0.156 6.377 1.00 1.17 H new ATOM 0 HD21 LEU A 67 11.256 0.170 8.803 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.045 1.377 8.309 1.00 1.14 H new ATOM 0 HD23 LEU A 67 10.027 0.725 9.965 1.00 1.14 H new ATOM 1084 N ILE A 68 4.448 -1.224 9.343 1.00 0.43 N ATOM 1085 CA ILE A 68 3.209 -0.560 9.674 1.00 0.38 C ATOM 1086 C ILE A 68 3.270 -0.070 11.106 1.00 0.45 C ATOM 1087 O ILE A 68 3.362 -0.857 12.048 1.00 0.61 O ATOM 1088 CB ILE A 68 1.973 -1.451 9.470 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.985 -2.087 8.075 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.712 -0.624 9.675 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.706 -2.829 7.744 1.00 0.44 C ATOM 0 H ILE A 68 4.488 -2.220 9.561 1.00 0.43 H new ATOM 0 HA ILE A 68 3.098 0.281 8.989 1.00 0.38 H new ATOM 0 HB ILE A 68 1.992 -2.258 10.202 1.00 0.38 H new ATOM 0 HG12 ILE A 68 2.149 -1.309 7.330 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.826 -2.777 8.005 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.165 -1.255 9.530 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.704 -0.218 10.686 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.692 0.194 8.955 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.781 -3.255 6.743 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.552 -3.629 8.468 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.136 -2.138 7.782 1.00 0.44 H new ATOM 1103 N ARG A 69 3.233 1.241 11.256 1.00 0.43 N ATOM 1104 CA ARG A 69 3.385 1.874 12.552 1.00 0.55 C ATOM 1105 C ARG A 69 2.042 2.375 13.064 1.00 0.51 C ATOM 1106 O ARG A 69 1.908 2.746 14.232 1.00 0.67 O ATOM 1107 CB ARG A 69 4.390 3.020 12.442 1.00 0.70 C ATOM 1108 CG ARG A 69 5.805 2.552 12.137 1.00 1.19 C ATOM 1109 CD ARG A 69 6.634 3.660 11.511 1.00 0.74 C ATOM 1110 NE ARG A 69 8.053 3.311 11.407 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.962 4.080 10.804 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.605 5.245 10.278 1.00 2.00 N ATOM 1113 NH2 ARG A 69 10.231 3.691 10.747 1.00 1.83 N ATOM 0 H ARG A 69 3.097 1.895 10.485 1.00 0.43 H new ATOM 0 HA ARG A 69 3.760 1.143 13.268 1.00 0.55 H new ATOM 0 HB2 ARG A 69 4.065 3.705 11.659 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.394 3.582 13.376 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.283 2.213 13.056 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.769 1.697 11.462 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.245 3.883 10.518 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.529 4.567 12.106 1.00 0.74 H new ATOM 0 HE ARG A 69 8.364 2.431 11.819 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.635 5.554 10.334 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.301 5.831 9.818 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.512 2.804 11.164 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.925 4.280 10.286 1.00 1.83 H new ATOM 1127 N LYS A 70 1.054 2.396 12.179 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.298 2.771 12.556 1.00 0.41 C ATOM 1129 C LYS A 70 -1.330 2.098 11.660 1.00 0.35 C ATOM 1130 O LYS A 70 -1.465 2.437 10.483 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.476 4.294 12.500 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.928 4.741 12.603 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.057 6.254 12.532 1.00 0.99 C ATOM 1134 CE LYS A 70 -1.690 6.919 13.848 1.00 1.08 C ATOM 1135 NZ LYS A 70 -2.752 6.740 14.871 1.00 1.53 N ATOM 0 H LYS A 70 1.166 2.157 11.194 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.457 2.432 13.580 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.094 4.748 13.311 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.055 4.667 11.566 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.506 4.288 11.797 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.353 4.383 13.541 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.412 6.636 11.741 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.080 6.518 12.265 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -0.754 6.500 14.218 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -1.520 7.983 13.683 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -2.316 6.522 15.790 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.308 7.615 14.951 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.377 5.958 14.590 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.028 1.121 12.215 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.218 0.576 11.589 1.00 0.36 C ATOM 1151 C VAL A 71 -4.440 1.132 12.305 1.00 0.37 C ATOM 1152 O VAL A 71 -4.954 0.533 13.251 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.255 -0.977 11.601 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -2.386 -1.546 10.494 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.819 -1.541 12.949 1.00 0.77 C ATOM 0 H VAL A 71 -1.787 0.687 13.106 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.210 0.874 10.541 1.00 0.36 H new ATOM 0 HB VAL A 71 -4.289 -1.276 11.429 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -2.428 -2.635 10.522 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -2.750 -1.194 9.529 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -1.356 -1.218 10.635 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.858 -2.630 12.918 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.800 -1.221 13.165 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -3.487 -1.176 13.729 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.881 2.307 11.884 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.933 3.006 12.602 1.00 0.36 C ATOM 1167 C ASP A 72 -7.267 2.856 11.897 1.00 0.35 C ATOM 1168 O ASP A 72 -7.738 3.803 11.262 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.597 4.491 12.762 1.00 0.41 C ATOM 1170 CG ASP A 72 -5.768 4.956 14.193 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -6.884 5.384 14.555 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -4.786 4.886 14.967 1.00 1.42 O ATOM 0 H ASP A 72 -4.531 2.792 11.058 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.007 2.555 13.591 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.570 4.668 12.443 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.240 5.081 12.109 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.834 1.640 11.991 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.169 1.300 11.464 1.00 0.39 C ATOM 1179 C GLU A 73 -9.376 1.809 10.021 1.00 0.38 C ATOM 1180 O GLU A 73 -8.417 2.206 9.356 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.259 1.833 12.419 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.356 3.347 12.495 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.428 3.814 13.448 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.269 3.618 14.672 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.432 4.392 12.983 1.00 0.92 O ATOM 0 H GLU A 73 -7.370 0.852 12.443 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.247 0.214 11.415 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.224 1.437 12.103 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.067 1.445 13.419 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.394 3.753 12.809 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.561 3.744 11.501 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.605 1.719 9.465 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.941 2.432 8.230 1.00 0.32 C ATOM 1194 C PRO A 74 -10.877 3.946 8.425 1.00 0.31 C ATOM 1195 O PRO A 74 -11.903 4.608 8.569 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.375 1.986 7.917 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.560 0.724 8.687 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.723 0.875 9.924 1.00 0.38 C ATOM 0 HA PRO A 74 -10.243 2.207 7.424 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.099 2.743 8.219 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.513 1.821 6.848 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.609 0.571 8.941 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.243 -0.140 8.103 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.280 1.347 10.733 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.375 -0.089 10.296 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.658 4.469 8.465 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.420 5.895 8.663 1.00 0.31 C ATOM 1208 C ASP A 75 -8.028 6.281 8.176 1.00 0.30 C ATOM 1209 O ASP A 75 -7.893 7.019 7.201 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.580 6.279 10.141 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.159 7.711 10.433 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.069 7.919 11.011 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -9.910 8.640 10.064 1.00 0.50 O ATOM 0 H ASP A 75 -8.806 3.918 8.361 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.162 6.440 8.080 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.621 6.145 10.434 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.987 5.600 10.753 1.00 0.34 H new ATOM 1218 N THR A 76 -6.993 5.767 8.835 1.00 0.28 N ATOM 1219 CA THR A 76 -5.622 6.131 8.490 1.00 0.29 C ATOM 1220 C THR A 76 -4.650 4.966 8.659 1.00 0.29 C ATOM 1221 O THR A 76 -4.778 4.158 9.579 1.00 0.35 O ATOM 1222 CB THR A 76 -5.131 7.318 9.341 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.595 7.196 10.694 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.595 8.638 8.744 1.00 0.35 C ATOM 0 H THR A 76 -7.076 5.103 9.605 1.00 0.28 H new ATOM 0 HA THR A 76 -5.641 6.414 7.438 1.00 0.29 H new ATOM 0 HB THR A 76 -4.041 7.304 9.344 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.455 7.657 10.788 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.237 9.462 9.361 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.197 8.741 7.735 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.684 8.658 8.708 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.678 4.883 7.755 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.615 3.892 7.859 1.00 0.31 C ATOM 1234 C LEU A 77 -1.262 4.571 7.685 1.00 0.33 C ATOM 1235 O LEU A 77 -1.000 5.198 6.658 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.752 2.767 6.814 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.091 2.026 6.771 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.103 2.788 5.936 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.900 0.625 6.214 1.00 0.69 C ATOM 0 H LEU A 77 -3.606 5.493 6.940 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.695 3.439 8.847 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.568 3.194 5.828 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.964 2.036 6.996 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.473 1.952 7.789 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.046 2.242 5.920 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.262 3.775 6.369 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.728 2.895 4.918 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.860 0.109 6.189 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.495 0.687 5.204 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.208 0.072 6.849 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.419 4.467 8.699 1.00 0.32 N ATOM 1252 CA VAL A 78 0.939 4.992 8.630 1.00 0.36 C ATOM 1253 C VAL A 78 1.921 3.840 8.476 1.00 0.34 C ATOM 1254 O VAL A 78 2.187 3.100 9.430 1.00 0.36 O ATOM 1255 CB VAL A 78 1.309 5.820 9.879 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.720 6.368 9.764 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.318 6.951 10.090 1.00 0.67 C ATOM 0 H VAL A 78 -0.651 4.021 9.586 1.00 0.32 H new ATOM 0 HA VAL A 78 0.992 5.656 7.767 1.00 0.36 H new ATOM 0 HB VAL A 78 1.266 5.159 10.745 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.959 6.948 10.655 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.425 5.542 9.669 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.791 7.008 8.885 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.599 7.521 10.976 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.324 7.607 9.220 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.682 6.538 10.226 1.00 0.67 H new ATOM 1267 N ILE A 79 2.420 3.664 7.268 1.00 0.35 N ATOM 1268 CA ILE A 79 3.277 2.537 6.961 1.00 0.39 C ATOM 1269 C ILE A 79 4.568 2.980 6.266 1.00 0.40 C ATOM 1270 O ILE A 79 4.549 3.821 5.368 1.00 0.43 O ATOM 1271 CB ILE A 79 2.498 1.490 6.119 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.413 0.378 5.586 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.739 2.167 4.986 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.981 0.636 4.205 1.00 0.67 C ATOM 0 H ILE A 79 2.246 4.289 6.481 1.00 0.35 H new ATOM 0 HA ILE A 79 3.576 2.067 7.898 1.00 0.39 H new ATOM 0 HB ILE A 79 1.775 1.014 6.782 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.239 0.239 6.284 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.853 -0.557 5.565 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.200 1.415 4.409 1.00 0.52 H new ATOM 0 HG22 ILE A 79 1.030 2.883 5.400 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.443 2.687 4.337 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.614 -0.201 3.910 1.00 0.67 H new ATOM 0 HD12 ILE A 79 3.165 0.743 3.490 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.573 1.551 4.220 1.00 0.67 H new ATOM 1286 N GLY A 80 5.685 2.420 6.718 1.00 0.42 N ATOM 1287 CA GLY A 80 6.967 2.649 6.089 1.00 0.46 C ATOM 1288 C GLY A 80 7.279 1.565 5.079 1.00 0.46 C ATOM 1289 O GLY A 80 6.906 0.405 5.267 1.00 0.50 O ATOM 0 H GLY A 80 5.721 1.799 7.526 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.965 3.621 5.595 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.748 2.679 6.849 1.00 0.46 H new ATOM 1293 N TRP A 81 7.986 1.929 4.028 1.00 0.50 N ATOM 1294 CA TRP A 81 8.136 1.057 2.875 1.00 0.51 C ATOM 1295 C TRP A 81 9.175 -0.029 3.114 1.00 0.53 C ATOM 1296 O TRP A 81 10.262 0.230 3.631 1.00 0.81 O ATOM 1297 CB TRP A 81 8.515 1.893 1.663 1.00 0.74 C ATOM 1298 CG TRP A 81 8.389 1.189 0.356 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.394 0.857 -0.504 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.177 0.747 -0.244 1.00 1.40 C ATOM 1301 NE1 TRP A 81 8.881 0.233 -1.609 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.513 0.153 -1.471 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.836 0.798 0.141 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 6.550 -0.382 -2.317 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 4.884 0.262 -0.697 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.243 -0.322 -1.914 1.00 2.79 C ATOM 0 H TRP A 81 8.468 2.824 3.946 1.00 0.50 H new ATOM 0 HA TRP A 81 7.184 0.556 2.699 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.887 2.784 1.642 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.544 2.232 1.780 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.442 1.057 -0.337 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.421 -0.114 -2.401 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.550 1.250 1.079 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 6.823 -0.830 -3.261 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 3.844 0.294 -0.409 1.00 2.78 H new ATOM 0 HH2 TRP A 81 4.474 -0.735 -2.550 1.00 2.79 H new ATOM 1317 N ARG A 82 8.828 -1.243 2.721 1.00 0.54 N ATOM 1318 CA ARG A 82 9.737 -2.373 2.831 1.00 0.74 C ATOM 1319 C ARG A 82 9.789 -3.120 1.503 1.00 0.81 C ATOM 1320 O ARG A 82 10.064 -4.320 1.462 1.00 1.47 O ATOM 1321 CB ARG A 82 9.302 -3.313 3.953 1.00 1.06 C ATOM 1322 CG ARG A 82 10.427 -4.189 4.483 1.00 1.64 C ATOM 1323 CD ARG A 82 11.496 -3.358 5.168 1.00 2.68 C ATOM 1324 NE ARG A 82 12.568 -4.180 5.718 1.00 3.63 N ATOM 1325 CZ ARG A 82 13.184 -3.922 6.868 1.00 4.53 C ATOM 1326 NH1 ARG A 82 12.793 -2.907 7.625 1.00 4.80 N ATOM 1327 NH2 ARG A 82 14.185 -4.692 7.270 1.00 5.46 N ATOM 0 H ARG A 82 7.918 -1.473 2.321 1.00 0.54 H new ATOM 0 HA ARG A 82 10.732 -2.000 3.072 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.895 -2.722 4.774 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.496 -3.951 3.590 1.00 1.06 H new ATOM 0 HG2 ARG A 82 10.023 -4.917 5.186 1.00 1.64 H new ATOM 0 HG3 ARG A 82 10.871 -4.751 3.661 1.00 1.64 H new ATOM 0 HD2 ARG A 82 11.915 -2.649 4.454 1.00 2.68 H new ATOM 0 HD3 ARG A 82 11.042 -2.774 5.968 1.00 2.68 H new ATOM 0 HE ARG A 82 12.863 -5.001 5.189 1.00 3.63 H new ATOM 0 HH11 ARG A 82 12.015 -2.318 7.327 1.00 4.80 H new ATOM 0 HH12 ARG A 82 13.270 -2.715 8.506 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.483 -5.482 6.697 1.00 5.46 H new ATOM 0 HH22 ARG A 82 14.658 -4.495 8.152 1.00 5.46 H new ATOM 1341 N LEU A 83 9.500 -2.379 0.431 1.00 0.79 N ATOM 1342 CA LEU A 83 9.660 -2.851 -0.945 1.00 0.86 C ATOM 1343 C LEU A 83 8.480 -3.719 -1.402 1.00 0.81 C ATOM 1344 O LEU A 83 8.014 -4.600 -0.685 1.00 1.21 O ATOM 1345 CB LEU A 83 11.000 -3.587 -1.101 1.00 1.23 C ATOM 1346 CG LEU A 83 11.599 -3.583 -2.504 1.00 1.13 C ATOM 1347 CD1 LEU A 83 10.879 -4.567 -3.402 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.544 -2.183 -3.090 1.00 1.28 C ATOM 0 H LEU A 83 9.145 -1.425 0.495 1.00 0.79 H new ATOM 0 HA LEU A 83 9.668 -1.979 -1.598 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.721 -3.139 -0.417 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.863 -4.622 -0.787 1.00 1.23 H new ATOM 0 HG LEU A 83 12.642 -3.894 -2.436 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.325 -4.545 -4.397 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.967 -5.571 -2.987 1.00 1.55 H new ATOM 0 HD13 LEU A 83 9.826 -4.294 -3.470 1.00 1.55 H new ATOM 0 HD21 LEU A 83 11.974 -2.191 -4.092 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.507 -1.851 -3.143 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.111 -1.501 -2.457 1.00 1.28 H new ATOM 1360 N ASN A 84 8.011 -3.438 -2.617 1.00 0.76 N ATOM 1361 CA ASN A 84 6.901 -4.162 -3.239 1.00 1.00 C ATOM 1362 C ASN A 84 7.425 -5.035 -4.371 1.00 1.25 C ATOM 1363 O ASN A 84 7.857 -4.536 -5.410 1.00 1.93 O ATOM 1364 CB ASN A 84 5.860 -3.159 -3.762 1.00 1.26 C ATOM 1365 CG ASN A 84 4.846 -3.745 -4.728 1.00 1.08 C ATOM 1366 OD1 ASN A 84 3.847 -4.325 -4.322 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.070 -3.542 -6.021 1.00 0.94 N ATOM 0 H ASN A 84 8.393 -2.696 -3.203 1.00 0.76 H new ATOM 0 HA ASN A 84 6.424 -4.806 -2.500 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.328 -2.732 -2.912 1.00 1.26 H new ATOM 0 HB3 ASN A 84 6.381 -2.339 -4.256 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.398 -3.873 -6.713 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.914 -3.055 -6.322 1.00 0.94 H new ATOM 1374 N GLY A 85 7.405 -6.337 -4.168 1.00 1.69 N ATOM 1375 CA GLY A 85 7.980 -7.243 -5.140 1.00 2.21 C ATOM 1376 C GLY A 85 9.125 -8.027 -4.549 1.00 1.96 C ATOM 1377 O GLY A 85 9.469 -9.099 -5.041 1.00 2.40 O ATOM 0 H GLY A 85 7.001 -6.788 -3.347 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.213 -7.930 -5.498 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.331 -6.678 -6.004 1.00 2.21 H new ATOM 1381 N PHE A 86 9.736 -7.452 -3.510 1.00 1.79 N ATOM 1382 CA PHE A 86 10.749 -8.128 -2.686 1.00 2.29 C ATOM 1383 C PHE A 86 12.102 -8.248 -3.393 1.00 2.14 C ATOM 1384 O PHE A 86 13.141 -8.314 -2.739 1.00 2.77 O ATOM 1385 CB PHE A 86 10.262 -9.513 -2.227 1.00 3.16 C ATOM 1386 CG PHE A 86 9.170 -9.474 -1.183 1.00 3.79 C ATOM 1387 CD1 PHE A 86 8.340 -8.367 -1.077 1.00 4.45 C ATOM 1388 CD2 PHE A 86 8.968 -10.537 -0.314 1.00 4.03 C ATOM 1389 CE1 PHE A 86 7.336 -8.323 -0.127 1.00 5.26 C ATOM 1390 CE2 PHE A 86 7.965 -10.497 0.637 1.00 4.80 C ATOM 1391 CZ PHE A 86 7.166 -9.416 0.748 1.00 5.38 C ATOM 0 H PHE A 86 9.542 -6.496 -3.212 1.00 1.79 H new ATOM 0 HA PHE A 86 10.897 -7.499 -1.808 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.899 -10.064 -3.095 1.00 3.16 H new ATOM 0 HB3 PHE A 86 11.110 -10.070 -1.828 1.00 3.16 H new ATOM 0 HD1 PHE A 86 8.480 -7.530 -1.745 1.00 4.45 H new ATOM 0 HD2 PHE A 86 9.603 -11.408 -0.381 1.00 4.03 H new ATOM 0 HE1 PHE A 86 6.689 -7.461 -0.056 1.00 5.26 H new ATOM 0 HE2 PHE A 86 7.820 -11.339 1.297 1.00 4.80 H new ATOM 0 HZ PHE A 86 6.397 -9.387 1.506 1.00 5.38 H new ATOM 1401 N GLY A 87 12.097 -8.252 -4.720 1.00 1.90 N ATOM 1402 CA GLY A 87 13.332 -8.414 -5.469 1.00 2.08 C ATOM 1403 C GLY A 87 14.038 -7.098 -5.754 1.00 1.87 C ATOM 1404 O GLY A 87 14.862 -7.013 -6.664 1.00 2.30 O ATOM 0 H GLY A 87 11.260 -8.146 -5.293 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.004 -9.066 -4.911 1.00 2.08 H new ATOM 0 HA3 GLY A 87 13.114 -8.913 -6.413 1.00 2.08 H new ATOM 1408 N ARG A 88 13.695 -6.071 -4.993 1.00 1.33 N ATOM 1409 CA ARG A 88 14.314 -4.761 -5.118 1.00 1.18 C ATOM 1410 C ARG A 88 14.876 -4.326 -3.761 1.00 1.09 C ATOM 1411 O ARG A 88 14.652 -5.006 -2.760 1.00 1.21 O ATOM 1412 CB ARG A 88 13.266 -3.763 -5.603 1.00 0.98 C ATOM 1413 CG ARG A 88 12.700 -4.075 -6.979 1.00 1.64 C ATOM 1414 CD ARG A 88 13.756 -3.946 -8.067 1.00 2.32 C ATOM 1415 NE ARG A 88 13.211 -4.262 -9.388 1.00 3.00 N ATOM 1416 CZ ARG A 88 13.930 -4.329 -10.511 1.00 3.96 C ATOM 1417 NH1 ARG A 88 15.242 -4.115 -10.493 1.00 4.44 N ATOM 1418 NH2 ARG A 88 13.328 -4.624 -11.656 1.00 4.77 N ATOM 0 H ARG A 88 12.978 -6.122 -4.270 1.00 1.33 H new ATOM 0 HA ARG A 88 15.133 -4.802 -5.836 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.448 -3.734 -4.884 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.709 -2.767 -5.622 1.00 0.98 H new ATOM 0 HG2 ARG A 88 12.294 -5.087 -6.984 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.873 -3.399 -7.194 1.00 1.64 H new ATOM 0 HD2 ARG A 88 14.154 -2.931 -8.070 1.00 2.32 H new ATOM 0 HD3 ARG A 88 14.589 -4.614 -7.847 1.00 2.32 H new ATOM 0 HE ARG A 88 12.210 -4.444 -9.456 1.00 3.00 H new ATOM 0 HH11 ARG A 88 15.711 -3.897 -9.614 1.00 4.44 H new ATOM 0 HH12 ARG A 88 15.780 -4.169 -11.358 1.00 4.44 H new ATOM 0 HH21 ARG A 88 12.323 -4.798 -11.674 1.00 4.77 H new ATOM 0 HH22 ARG A 88 13.870 -4.677 -12.518 1.00 4.77 H new ATOM 1432 N ILE A 89 15.594 -3.203 -3.719 1.00 1.08 N ATOM 1433 CA ILE A 89 16.143 -2.707 -2.457 1.00 1.08 C ATOM 1434 C ILE A 89 15.043 -2.093 -1.593 1.00 1.04 C ATOM 1435 O ILE A 89 14.242 -1.290 -2.070 1.00 1.15 O ATOM 1436 CB ILE A 89 17.293 -1.685 -2.699 1.00 1.29 C ATOM 1437 CG1 ILE A 89 17.754 -1.019 -1.386 1.00 1.86 C ATOM 1438 CG2 ILE A 89 16.880 -0.631 -3.718 1.00 1.11 C ATOM 1439 CD1 ILE A 89 16.967 0.224 -0.999 1.00 1.70 C ATOM 0 H ILE A 89 15.807 -2.626 -4.533 1.00 1.08 H new ATOM 0 HA ILE A 89 16.565 -3.558 -1.922 1.00 1.08 H new ATOM 0 HB ILE A 89 18.140 -2.242 -3.101 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.679 -1.747 -0.578 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.807 -0.753 -1.479 1.00 1.86 H new ATOM 0 HG21 ILE A 89 17.701 0.070 -3.869 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.638 -1.115 -4.664 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.006 -0.093 -3.351 1.00 1.11 H new ATOM 0 HD11 ILE A 89 17.358 0.626 -0.065 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.062 0.974 -1.785 1.00 1.70 H new ATOM 0 HD13 ILE A 89 15.916 -0.036 -0.870 1.00 1.70 H new ATOM 1451 N ASP A 90 15.013 -2.477 -0.322 1.00 1.05 N ATOM 1452 CA ASP A 90 14.014 -1.977 0.612 1.00 1.15 C ATOM 1453 C ASP A 90 14.574 -0.805 1.418 1.00 1.01 C ATOM 1454 O ASP A 90 15.726 -0.831 1.851 1.00 1.14 O ATOM 1455 CB ASP A 90 13.551 -3.098 1.551 1.00 1.54 C ATOM 1456 CG ASP A 90 14.677 -3.661 2.402 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.646 -3.472 3.638 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.607 -4.276 1.839 1.00 3.18 O ATOM 0 H ASP A 90 15.674 -3.138 0.086 1.00 1.05 H new ATOM 0 HA ASP A 90 13.154 -1.625 0.042 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.765 -2.717 2.203 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.113 -3.902 0.960 1.00 1.54 H new ATOM 1463 N PRO A 91 13.764 0.249 1.604 1.00 1.32 N ATOM 1464 CA PRO A 91 14.159 1.447 2.363 1.00 1.52 C ATOM 1465 C PRO A 91 14.563 1.125 3.797 1.00 1.24 C ATOM 1466 O PRO A 91 15.458 1.769 4.352 1.00 1.58 O ATOM 1467 CB PRO A 91 12.898 2.310 2.349 1.00 2.16 C ATOM 1468 CG PRO A 91 12.142 1.843 1.159 1.00 2.36 C ATOM 1469 CD PRO A 91 12.404 0.370 1.066 1.00 1.92 C ATOM 0 HA PRO A 91 15.031 1.932 1.925 1.00 1.52 H new ATOM 0 HB2 PRO A 91 12.319 2.181 3.263 1.00 2.16 H new ATOM 0 HB3 PRO A 91 13.143 3.369 2.273 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.076 2.045 1.268 1.00 2.36 H new ATOM 0 HG3 PRO A 91 12.474 2.358 0.257 1.00 2.36 H new ATOM 0 HD2 PRO A 91 11.685 -0.207 1.649 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.342 0.012 0.038 1.00 1.92 H new ATOM 1477 N ASP A 92 13.849 0.171 4.400 1.00 1.06 N ATOM 1478 CA ASP A 92 14.225 -0.423 5.685 1.00 1.34 C ATOM 1479 C ASP A 92 13.871 0.476 6.867 1.00 1.18 C ATOM 1480 O ASP A 92 13.397 -0.002 7.898 1.00 1.61 O ATOM 1481 CB ASP A 92 15.721 -0.775 5.689 1.00 1.93 C ATOM 1482 CG ASP A 92 16.305 -0.933 7.080 1.00 2.60 C ATOM 1483 OD1 ASP A 92 16.311 -2.066 7.607 1.00 2.98 O ATOM 1484 OD2 ASP A 92 16.783 0.074 7.645 1.00 2.99 O ATOM 0 H ASP A 92 12.989 -0.213 4.008 1.00 1.06 H new ATOM 0 HA ASP A 92 13.645 -1.338 5.805 1.00 1.34 H new ATOM 0 HB2 ASP A 92 15.869 -1.702 5.135 1.00 1.93 H new ATOM 0 HB3 ASP A 92 16.270 0.004 5.160 1.00 1.93 H new ATOM 1489 N ASN A 93 14.060 1.772 6.709 1.00 1.06 N ATOM 1490 CA ASN A 93 13.969 2.679 7.838 1.00 1.26 C ATOM 1491 C ASN A 93 12.883 3.730 7.641 1.00 1.04 C ATOM 1492 O ASN A 93 12.268 4.188 8.606 1.00 1.49 O ATOM 1493 CB ASN A 93 15.333 3.338 8.051 1.00 1.65 C ATOM 1494 CG ASN A 93 15.579 4.533 7.143 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.310 5.676 7.509 1.00 3.06 O ATOM 1496 ND2 ASN A 93 16.077 4.276 5.945 1.00 2.21 N ATOM 0 H ASN A 93 14.276 2.218 5.818 1.00 1.06 H new ATOM 0 HA ASN A 93 13.690 2.108 8.724 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.414 3.658 9.090 1.00 1.65 H new ATOM 0 HB3 ASN A 93 16.115 2.598 7.884 1.00 1.65 H new ATOM 0 HD21 ASN A 93 16.250 5.039 5.290 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.288 3.315 5.676 1.00 2.21 H new ATOM 1503 N SER A 94 12.632 4.098 6.395 1.00 0.68 N ATOM 1504 CA SER A 94 11.693 5.164 6.108 1.00 0.77 C ATOM 1505 C SER A 94 10.812 4.836 4.905 1.00 0.72 C ATOM 1506 O SER A 94 10.383 3.693 4.732 1.00 1.22 O ATOM 1507 CB SER A 94 12.444 6.474 5.871 1.00 1.19 C ATOM 1508 OG SER A 94 13.009 6.974 7.070 1.00 1.85 O ATOM 0 H SER A 94 13.063 3.676 5.573 1.00 0.68 H new ATOM 0 HA SER A 94 11.040 5.272 6.974 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.232 6.314 5.135 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.762 7.215 5.452 1.00 1.19 H new ATOM 0 HG SER A 94 13.938 6.671 7.145 1.00 1.85 H new ATOM 1514 N SER A 95 10.553 5.860 4.085 1.00 0.60 N ATOM 1515 CA SER A 95 9.571 5.790 3.008 1.00 0.67 C ATOM 1516 C SER A 95 8.181 5.630 3.601 1.00 0.70 C ATOM 1517 O SER A 95 7.263 5.143 2.947 1.00 1.27 O ATOM 1518 CB SER A 95 9.876 4.653 2.036 1.00 0.93 C ATOM 1519 OG SER A 95 11.126 4.832 1.404 1.00 1.44 O ATOM 0 H SER A 95 11.023 6.763 4.153 1.00 0.60 H new ATOM 0 HA SER A 95 9.620 6.718 2.439 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.871 3.704 2.572 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.091 4.597 1.282 1.00 0.93 H new ATOM 0 HG SER A 95 11.158 4.295 0.585 1.00 1.44 H new ATOM 1525 N GLU A 96 8.052 6.073 4.842 1.00 0.48 N ATOM 1526 CA GLU A 96 6.801 6.041 5.571 1.00 0.45 C ATOM 1527 C GLU A 96 5.798 6.996 4.946 1.00 0.45 C ATOM 1528 O GLU A 96 6.148 8.118 4.570 1.00 0.60 O ATOM 1529 CB GLU A 96 7.065 6.431 7.024 1.00 0.56 C ATOM 1530 CG GLU A 96 5.817 6.583 7.871 1.00 1.11 C ATOM 1531 CD GLU A 96 6.128 7.174 9.224 1.00 1.30 C ATOM 1532 OE1 GLU A 96 6.272 8.407 9.319 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.200 6.408 10.209 1.00 1.33 O ATOM 0 H GLU A 96 8.826 6.470 5.375 1.00 0.48 H new ATOM 0 HA GLU A 96 6.383 5.035 5.530 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.707 5.677 7.478 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.616 7.371 7.040 1.00 0.56 H new ATOM 0 HG2 GLU A 96 5.101 7.220 7.352 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.344 5.610 7.999 1.00 1.11 H new ATOM 1540 N PHE A 97 4.567 6.541 4.815 1.00 0.39 N ATOM 1541 CA PHE A 97 3.507 7.374 4.291 1.00 0.40 C ATOM 1542 C PHE A 97 2.230 7.190 5.091 1.00 0.41 C ATOM 1543 O PHE A 97 1.873 6.076 5.479 1.00 0.53 O ATOM 1544 CB PHE A 97 3.267 7.095 2.803 1.00 0.51 C ATOM 1545 CG PHE A 97 3.176 5.640 2.431 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.329 4.913 2.192 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.949 5.005 2.300 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.271 3.585 1.834 1.00 0.53 C ATOM 1549 CE2 PHE A 97 1.883 3.672 1.942 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.046 2.961 1.708 1.00 0.63 C ATOM 0 H PHE A 97 4.278 5.596 5.066 1.00 0.39 H new ATOM 0 HA PHE A 97 3.820 8.414 4.387 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.343 7.589 2.501 1.00 0.51 H new ATOM 0 HB3 PHE A 97 4.074 7.550 2.229 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.290 5.396 2.288 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.038 5.557 2.479 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.181 3.033 1.652 1.00 0.53 H new ATOM 0 HE2 PHE A 97 0.924 3.186 1.845 1.00 0.64 H new ATOM 0 HZ PHE A 97 2.996 1.919 1.427 1.00 0.63 H new ATOM 1560 N THR A 98 1.567 8.299 5.355 1.00 0.35 N ATOM 1561 CA THR A 98 0.314 8.292 6.074 1.00 0.36 C ATOM 1562 C THR A 98 -0.840 8.416 5.092 1.00 0.33 C ATOM 1563 O THR A 98 -1.017 9.467 4.473 1.00 0.36 O ATOM 1564 CB THR A 98 0.257 9.465 7.074 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.412 9.437 7.923 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.004 9.406 7.927 1.00 0.40 C ATOM 0 H THR A 98 1.884 9.228 5.076 1.00 0.35 H new ATOM 0 HA THR A 98 0.235 7.354 6.623 1.00 0.36 H new ATOM 0 HB THR A 98 0.240 10.393 6.503 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.372 10.185 8.555 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.013 10.246 8.621 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.882 9.458 7.283 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.020 8.472 8.488 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.605 7.349 4.913 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.763 7.436 4.046 1.00 0.35 C ATOM 1576 C VAL A 99 -3.958 7.915 4.857 1.00 0.31 C ATOM 1577 O VAL A 99 -4.306 7.335 5.890 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.084 6.112 3.276 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -1.937 5.121 3.351 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -4.380 5.467 3.719 1.00 0.87 C ATOM 0 H VAL A 99 -1.449 6.438 5.345 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.529 8.159 3.265 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.215 6.403 2.234 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -2.201 4.216 2.804 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -1.044 5.564 2.910 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -1.741 4.870 4.393 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -4.546 4.554 3.148 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -4.322 5.226 4.780 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -5.207 6.157 3.548 1.00 0.87 H new ATOM 1590 N THR A 100 -4.522 9.025 4.428 1.00 0.31 N ATOM 1591 CA THR A 100 -5.690 9.585 5.069 1.00 0.30 C ATOM 1592 C THR A 100 -6.936 9.282 4.254 1.00 0.26 C ATOM 1593 O THR A 100 -7.134 9.849 3.182 1.00 0.28 O ATOM 1594 CB THR A 100 -5.554 11.114 5.227 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.310 11.438 5.864 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.711 11.677 6.037 1.00 0.36 C ATOM 0 H THR A 100 -4.184 9.561 3.629 1.00 0.31 H new ATOM 0 HA THR A 100 -5.776 9.131 6.056 1.00 0.30 H new ATOM 0 HB THR A 100 -5.574 11.562 4.234 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.234 12.411 5.957 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.595 12.756 6.136 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.651 11.458 5.530 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.718 11.221 7.027 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.756 8.371 4.742 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.019 8.083 4.092 1.00 0.24 C ATOM 1606 C PHE A 101 -10.061 9.107 4.521 1.00 0.25 C ATOM 1607 O PHE A 101 -10.486 9.130 5.679 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.503 6.671 4.425 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.810 5.568 3.675 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.939 5.457 2.302 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.015 4.653 4.343 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.289 4.453 1.610 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.365 3.645 3.657 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.557 3.514 2.284 1.00 0.29 C ATOM 0 H PHE A 101 -7.572 7.821 5.581 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.872 8.142 3.014 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.372 6.501 5.494 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.572 6.612 4.221 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.555 6.163 1.765 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.901 4.728 5.414 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.359 4.409 0.533 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.712 2.963 4.182 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.130 2.675 1.754 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.445 9.973 3.602 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.477 10.960 3.869 1.00 0.31 C ATOM 1626 C VAL A 102 -12.821 10.433 3.393 1.00 0.30 C ATOM 1627 O VAL A 102 -13.034 10.251 2.193 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.176 12.307 3.173 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.246 13.337 3.501 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.801 12.821 3.566 1.00 0.54 C ATOM 0 H VAL A 102 -10.056 10.014 2.660 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.501 11.136 4.944 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.184 12.139 2.096 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.012 14.276 3.000 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.216 12.975 3.160 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.277 13.499 4.579 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.610 13.770 3.065 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.762 12.967 4.646 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.043 12.096 3.270 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.714 10.165 4.332 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.019 9.618 4.001 1.00 0.35 C ATOM 1642 C ALA A 103 -15.864 10.654 3.271 1.00 0.39 C ATOM 1643 O ALA A 103 -16.078 11.761 3.767 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.727 9.134 5.259 1.00 0.44 C ATOM 0 H ALA A 103 -13.559 10.317 5.329 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.878 8.765 3.337 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.703 8.727 4.994 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.129 8.359 5.738 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.857 9.969 5.947 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.335 10.286 2.096 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.153 11.161 1.285 1.00 0.57 C ATOM 1652 C ASP A 104 -18.589 10.677 1.356 1.00 0.64 C ATOM 1653 O ASP A 104 -18.948 9.659 0.753 1.00 0.73 O ATOM 1654 CB ASP A 104 -16.652 11.162 -0.164 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.315 12.215 -1.034 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.607 13.051 -1.625 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -18.562 12.229 -1.103 1.00 2.03 O ATOM 0 H ASP A 104 -16.161 9.372 1.678 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.093 12.183 1.659 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -15.574 11.326 -0.167 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -16.826 10.179 -0.601 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.396 11.376 2.133 1.00 0.71 N ATOM 1663 CA GLY A 105 -20.757 10.950 2.348 1.00 0.83 C ATOM 1664 C GLY A 105 -20.823 9.724 3.235 1.00 1.06 C ATOM 1665 O GLY A 105 -20.507 9.791 4.424 1.00 1.97 O ATOM 0 H GLY A 105 -19.132 12.233 2.619 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.325 11.761 2.804 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.227 10.732 1.389 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.213 8.600 2.653 1.00 1.24 N ATOM 1670 CA GLN A 106 -21.317 7.355 3.401 1.00 2.07 C ATOM 1671 C GLN A 106 -21.002 6.150 2.517 1.00 1.73 C ATOM 1672 O GLN A 106 -20.994 5.012 2.987 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.720 7.213 3.986 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.809 7.147 2.928 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.195 6.995 3.516 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.415 7.574 4.686 1.00 4.84 O flip ATOM 1677 NE2 GLN A 106 -26.069 6.370 2.912 1.00 4.93 N flip ATOM 0 H GLN A 106 -21.462 8.524 1.667 1.00 1.24 H new ATOM 0 HA GLN A 106 -20.586 7.386 4.209 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.762 6.311 4.597 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -22.917 8.056 4.648 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.775 8.052 2.322 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.609 6.309 2.261 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.858 5.939 2.012 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -27.003 6.284 3.312 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.771 6.391 1.231 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.438 5.308 0.312 1.00 0.48 C ATOM 1688 C LYS A 107 -19.295 5.700 -0.616 1.00 0.38 C ATOM 1689 O LYS A 107 -18.970 4.974 -1.552 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.664 4.881 -0.504 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.192 5.944 -1.449 1.00 1.55 C ATOM 1692 CD LYS A 107 -23.353 5.429 -2.293 1.00 2.23 C ATOM 1693 CE LYS A 107 -22.908 4.407 -3.338 1.00 2.95 C ATOM 1694 NZ LYS A 107 -22.616 3.065 -2.755 1.00 3.53 N ATOM 0 H LYS A 107 -20.807 7.317 0.804 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.111 4.460 0.913 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.408 3.993 -1.082 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -22.461 4.596 0.183 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.518 6.811 -0.874 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -21.388 6.279 -2.104 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -24.099 4.975 -1.641 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -23.835 6.269 -2.793 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -23.686 4.307 -4.094 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -22.017 4.778 -3.845 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -22.958 2.324 -3.400 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -21.590 2.961 -2.621 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -23.096 2.973 -1.837 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.679 6.842 -0.356 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.512 7.254 -1.115 1.00 0.29 C ATOM 1710 C LYS A 108 -16.382 7.575 -0.150 1.00 0.27 C ATOM 1711 O LYS A 108 -16.624 7.825 1.030 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.835 8.474 -1.983 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.825 8.726 -3.092 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.175 9.965 -3.902 1.00 1.09 C ATOM 1715 CE LYS A 108 -18.559 9.856 -4.522 1.00 1.62 C ATOM 1716 NZ LYS A 108 -18.910 11.057 -5.322 1.00 2.44 N ATOM 0 H LYS A 108 -18.967 7.497 0.371 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.208 6.443 -1.777 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.822 8.341 -2.427 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -17.888 9.357 -1.346 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.831 8.843 -2.659 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.785 7.859 -3.752 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.132 10.845 -3.260 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -16.434 10.108 -4.688 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -18.602 8.972 -5.158 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -19.299 9.717 -3.734 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -19.861 10.939 -5.726 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -18.895 11.898 -4.710 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -18.220 11.176 -6.091 1.00 2.44 H new ATOM 1730 N THR A 109 -15.153 7.534 -0.630 1.00 0.26 N ATOM 1731 CA THR A 109 -14.005 7.878 0.195 1.00 0.25 C ATOM 1732 C THR A 109 -12.827 8.325 -0.663 1.00 0.26 C ATOM 1733 O THR A 109 -12.473 7.673 -1.638 1.00 0.35 O ATOM 1734 CB THR A 109 -13.583 6.695 1.095 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.609 6.430 2.053 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.278 6.981 1.824 1.00 0.42 C ATOM 0 H THR A 109 -14.922 7.266 -1.587 1.00 0.26 H new ATOM 0 HA THR A 109 -14.306 8.707 0.835 1.00 0.25 H new ATOM 0 HB THR A 109 -13.432 5.827 0.454 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.279 7.144 2.020 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.014 6.126 2.447 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.486 7.158 1.096 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.398 7.864 2.452 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.248 9.455 -0.301 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.081 9.976 -0.987 1.00 0.27 C ATOM 1746 C ARG A 110 -9.857 9.851 -0.088 1.00 0.26 C ATOM 1747 O ARG A 110 -9.781 10.493 0.955 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.317 11.440 -1.364 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.123 12.124 -2.007 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.780 11.519 -3.358 1.00 0.62 C ATOM 1751 NE ARG A 110 -8.765 12.308 -4.049 1.00 1.27 N ATOM 1752 CZ ARG A 110 -8.696 12.441 -5.372 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.523 11.764 -6.162 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -7.792 13.249 -5.910 1.00 2.59 N ATOM 0 H ARG A 110 -12.572 10.035 0.473 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.908 9.401 -1.897 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.163 11.494 -2.049 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.597 11.993 -0.467 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.336 13.186 -2.129 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.260 12.046 -1.345 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -9.421 10.499 -3.222 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -10.679 11.461 -3.972 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.065 12.787 -3.483 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -10.217 11.137 -5.756 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -9.463 11.872 -7.175 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.150 13.768 -5.310 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -7.738 13.351 -6.923 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.918 9.004 -0.474 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.703 8.830 0.307 1.00 0.27 C ATOM 1770 C VAL A 111 -6.620 9.786 -0.167 1.00 0.29 C ATOM 1771 O VAL A 111 -6.482 10.038 -1.369 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.161 7.384 0.251 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.640 7.043 -1.131 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.070 7.181 1.288 1.00 0.33 C ATOM 0 H VAL A 111 -8.971 8.430 -1.316 1.00 0.27 H new ATOM 0 HA VAL A 111 -7.969 9.049 1.341 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.989 6.712 0.475 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.266 6.019 -1.136 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.447 7.139 -1.858 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -5.832 7.726 -1.394 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.701 6.157 1.233 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.250 7.873 1.094 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.474 7.368 2.283 1.00 0.33 H new ATOM 1784 N ASP A 112 -5.869 10.307 0.786 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.778 11.219 0.510 1.00 0.37 C ATOM 1786 C ASP A 112 -3.550 10.825 1.334 1.00 0.37 C ATOM 1787 O ASP A 112 -3.531 10.982 2.556 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.214 12.647 0.842 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.361 13.693 0.164 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.321 14.077 0.729 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.746 14.154 -0.937 1.00 1.38 O ATOM 0 H ASP A 112 -6.001 10.107 1.778 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.515 11.167 -0.546 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.253 12.783 0.543 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.171 12.793 1.921 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.559 10.239 0.672 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.298 9.875 1.320 1.00 0.41 C ATOM 1798 C VAL A 113 -0.312 11.026 1.327 1.00 0.43 C ATOM 1799 O VAL A 113 -0.073 11.650 0.294 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.627 8.678 0.613 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.856 8.580 0.927 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.308 7.392 0.988 1.00 0.77 C ATOM 0 H VAL A 113 -2.602 10.003 -0.319 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.554 9.609 2.345 1.00 0.41 H new ATOM 0 HB VAL A 113 -0.731 8.848 -0.459 1.00 0.50 H new ATOM 0 HG11 VAL A 113 1.282 7.722 0.406 1.00 0.91 H new ATOM 0 HG12 VAL A 113 1.358 9.490 0.599 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.993 8.457 2.001 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -0.820 6.560 0.479 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.243 7.247 2.066 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.356 7.435 0.691 1.00 0.77 H new ATOM 1812 N GLU A 114 0.264 11.280 2.492 1.00 0.47 N ATOM 1813 CA GLU A 114 1.406 12.170 2.602 1.00 0.55 C ATOM 1814 C GLU A 114 2.686 11.347 2.690 1.00 0.60 C ATOM 1815 O GLU A 114 2.818 10.472 3.550 1.00 0.62 O ATOM 1816 CB GLU A 114 1.280 13.087 3.813 1.00 0.67 C ATOM 1817 CG GLU A 114 0.209 14.148 3.650 1.00 1.31 C ATOM 1818 CD GLU A 114 0.229 15.168 4.769 1.00 1.75 C ATOM 1819 OE1 GLU A 114 -0.616 15.069 5.684 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.094 16.072 4.745 1.00 2.05 O ATOM 0 H GLU A 114 -0.044 10.879 3.378 1.00 0.47 H new ATOM 0 HA GLU A 114 1.440 12.801 1.714 1.00 0.55 H new ATOM 0 HB2 GLU A 114 1.056 12.486 4.694 1.00 0.67 H new ATOM 0 HB3 GLU A 114 2.239 13.573 3.994 1.00 0.67 H new ATOM 0 HG2 GLU A 114 0.348 14.657 2.696 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -0.770 13.670 3.616 1.00 1.31 H new ATOM 1827 N HIS A 115 3.609 11.612 1.783 1.00 0.70 N ATOM 1828 CA HIS A 115 4.835 10.838 1.678 1.00 0.80 C ATOM 1829 C HIS A 115 5.996 11.766 1.334 1.00 0.89 C ATOM 1830 O HIS A 115 6.121 12.203 0.194 1.00 1.17 O ATOM 1831 CB HIS A 115 4.643 9.782 0.589 1.00 0.92 C ATOM 1832 CG HIS A 115 5.680 8.704 0.541 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.219 8.239 -0.636 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.201 7.933 1.517 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.019 7.224 -0.381 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.027 7.012 0.922 1.00 1.47 N ATOM 0 H HIS A 115 3.532 12.366 1.101 1.00 0.70 H new ATOM 0 HA HIS A 115 5.062 10.346 2.624 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.667 9.316 0.728 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.622 10.284 -0.378 1.00 0.92 H new ATOM 0 HD2 HIS A 115 6.004 8.024 2.575 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.575 6.660 -1.115 1.00 1.64 H new ATOM 0 HE2 HIS A 115 7.557 6.287 1.405 1.00 1.47 H new ATOM 1845 N THR A 116 6.819 12.095 2.325 1.00 0.90 N ATOM 1846 CA THR A 116 7.886 13.077 2.133 1.00 1.08 C ATOM 1847 C THR A 116 9.097 12.802 3.026 1.00 0.83 C ATOM 1848 O THR A 116 9.704 13.733 3.557 1.00 1.67 O ATOM 1849 CB THR A 116 7.375 14.500 2.440 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.587 14.488 3.637 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.551 15.058 1.293 1.00 2.51 C ATOM 0 H THR A 116 6.770 11.700 3.264 1.00 0.90 H new ATOM 0 HA THR A 116 8.193 12.996 1.090 1.00 1.08 H new ATOM 0 HB THR A 116 8.244 15.143 2.576 1.00 1.92 H new ATOM 0 HG1 THR A 116 6.267 15.395 3.827 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.208 16.061 1.546 1.00 2.51 H new ATOM 0 HG22 THR A 116 7.163 15.100 0.392 1.00 2.51 H new ATOM 0 HG23 THR A 116 5.689 14.414 1.117 1.00 2.51 H new ATOM 1859 N HIS A 117 9.472 11.541 3.179 1.00 0.72 N ATOM 1860 CA HIS A 117 10.573 11.211 4.079 1.00 1.13 C ATOM 1861 C HIS A 117 11.778 10.670 3.311 1.00 0.90 C ATOM 1862 O HIS A 117 12.835 11.289 3.293 1.00 0.97 O ATOM 1863 CB HIS A 117 10.124 10.199 5.140 1.00 1.98 C ATOM 1864 CG HIS A 117 11.007 10.160 6.360 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.508 10.032 7.640 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.357 10.214 6.492 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.509 10.012 8.502 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.639 10.120 7.832 1.00 2.63 N ATOM 0 H HIS A 117 9.044 10.745 2.706 1.00 0.72 H new ATOM 0 HA HIS A 117 10.875 12.132 4.578 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.106 10.438 5.448 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.096 9.206 4.692 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.075 10.313 5.692 1.00 2.33 H new ATOM 0 HE1 HIS A 117 11.417 9.922 9.574 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.572 10.132 8.243 1.00 2.63 H new ATOM 1877 N PHE A 118 11.614 9.513 2.685 1.00 0.76 N ATOM 1878 CA PHE A 118 12.723 8.847 2.006 1.00 0.76 C ATOM 1879 C PHE A 118 12.867 9.371 0.581 1.00 0.65 C ATOM 1880 O PHE A 118 13.951 9.749 0.157 1.00 0.74 O ATOM 1881 CB PHE A 118 12.483 7.339 1.996 1.00 0.97 C ATOM 1882 CG PHE A 118 13.681 6.493 1.659 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.317 5.764 2.650 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.160 6.412 0.362 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.408 4.971 2.356 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.253 5.621 0.062 1.00 3.21 C ATOM 1887 CZ PHE A 118 15.878 4.900 1.061 1.00 3.54 C ATOM 0 H PHE A 118 10.726 9.014 2.632 1.00 0.76 H new ATOM 0 HA PHE A 118 13.648 9.059 2.542 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.115 7.041 2.978 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.692 7.120 1.279 1.00 0.97 H new ATOM 0 HD1 PHE A 118 13.955 5.817 3.666 1.00 2.35 H new ATOM 0 HD2 PHE A 118 13.674 6.973 -0.423 1.00 2.32 H new ATOM 0 HE1 PHE A 118 15.893 4.407 3.139 1.00 3.18 H new ATOM 0 HE2 PHE A 118 15.618 5.567 -0.953 1.00 3.21 H new ATOM 0 HZ PHE A 118 16.733 4.282 0.829 1.00 3.54 H new ATOM 1897 N ASP A 119 11.751 9.395 -0.133 1.00 0.66 N ATOM 1898 CA ASP A 119 11.688 9.851 -1.512 1.00 0.75 C ATOM 1899 C ASP A 119 12.118 11.306 -1.626 1.00 0.74 C ATOM 1900 O ASP A 119 12.994 11.654 -2.421 1.00 0.83 O ATOM 1901 CB ASP A 119 10.241 9.689 -1.974 1.00 0.94 C ATOM 1902 CG ASP A 119 9.267 10.035 -0.855 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.113 9.211 0.083 1.00 1.75 O ATOM 1904 OD2 ASP A 119 8.688 11.131 -0.880 1.00 1.81 O ATOM 0 H ASP A 119 10.850 9.093 0.237 1.00 0.66 H new ATOM 0 HA ASP A 119 12.365 9.266 -2.135 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.056 10.333 -2.834 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.073 8.663 -2.302 1.00 0.94 H new ATOM 1909 N ARG A 120 11.499 12.132 -0.803 1.00 0.76 N ATOM 1910 CA ARG A 120 11.781 13.559 -0.740 1.00 0.89 C ATOM 1911 C ARG A 120 13.240 13.817 -0.347 1.00 0.83 C ATOM 1912 O ARG A 120 13.783 14.893 -0.597 1.00 1.00 O ATOM 1913 CB ARG A 120 10.810 14.199 0.262 1.00 1.07 C ATOM 1914 CG ARG A 120 10.592 15.694 0.082 1.00 1.50 C ATOM 1915 CD ARG A 120 11.673 16.518 0.752 1.00 1.71 C ATOM 1916 NE ARG A 120 11.710 16.296 2.194 1.00 2.15 N ATOM 1917 CZ ARG A 120 12.779 16.515 2.948 1.00 2.66 C ATOM 1918 NH1 ARG A 120 13.911 16.927 2.391 1.00 2.90 N ATOM 1919 NH2 ARG A 120 12.719 16.317 4.258 1.00 3.38 N ATOM 0 H ARG A 120 10.776 11.829 -0.150 1.00 0.76 H new ATOM 0 HA ARG A 120 11.638 14.007 -1.723 1.00 0.89 H new ATOM 0 HB2 ARG A 120 9.847 13.695 0.184 1.00 1.07 H new ATOM 0 HB3 ARG A 120 11.183 14.020 1.271 1.00 1.07 H new ATOM 0 HG2 ARG A 120 10.566 15.930 -0.982 1.00 1.50 H new ATOM 0 HG3 ARG A 120 9.621 15.969 0.493 1.00 1.50 H new ATOM 0 HD2 ARG A 120 12.642 16.266 0.321 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.500 17.575 0.552 1.00 1.71 H new ATOM 0 HE ARG A 120 10.864 15.952 2.649 1.00 2.15 H new ATOM 0 HH11 ARG A 120 13.959 17.075 1.383 1.00 2.90 H new ATOM 0 HH12 ARG A 120 14.733 17.095 2.971 1.00 2.90 H new ATOM 0 HH21 ARG A 120 11.851 15.996 4.686 1.00 3.38 H new ATOM 0 HH22 ARG A 120 13.541 16.486 4.837 1.00 3.38 H new ATOM 1933 N MET A 121 13.880 12.814 0.246 1.00 0.73 N ATOM 1934 CA MET A 121 15.226 12.972 0.789 1.00 0.91 C ATOM 1935 C MET A 121 16.300 12.863 -0.303 1.00 1.12 C ATOM 1936 O MET A 121 17.458 12.545 -0.022 1.00 1.41 O ATOM 1937 CB MET A 121 15.474 11.933 1.889 1.00 1.05 C ATOM 1938 CG MET A 121 16.708 12.207 2.736 1.00 1.28 C ATOM 1939 SD MET A 121 16.651 13.821 3.539 1.00 2.15 S ATOM 1940 CE MET A 121 15.194 13.640 4.569 1.00 2.43 C ATOM 0 H MET A 121 13.487 11.880 0.363 1.00 0.73 H new ATOM 0 HA MET A 121 15.297 13.972 1.216 1.00 0.91 H new ATOM 0 HB2 MET A 121 14.601 11.894 2.540 1.00 1.05 H new ATOM 0 HB3 MET A 121 15.573 10.950 1.429 1.00 1.05 H new ATOM 0 HG2 MET A 121 16.803 11.430 3.495 1.00 1.28 H new ATOM 0 HG3 MET A 121 17.596 12.149 2.107 1.00 1.28 H new ATOM 0 HE1 MET A 121 15.193 14.413 5.337 1.00 2.43 H new ATOM 0 HE2 MET A 121 14.299 13.738 3.954 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.203 12.658 5.042 1.00 2.43 H new ATOM 1950 N GLY A 122 15.926 13.118 -1.546 1.00 1.18 N ATOM 1951 CA GLY A 122 16.925 13.263 -2.580 1.00 1.61 C ATOM 1952 C GLY A 122 16.700 12.385 -3.792 1.00 1.21 C ATOM 1953 O GLY A 122 15.854 11.488 -3.786 1.00 1.30 O ATOM 0 H GLY A 122 14.960 13.226 -1.855 1.00 1.18 H new ATOM 0 HA2 GLY A 122 16.951 14.305 -2.900 1.00 1.61 H new ATOM 0 HA3 GLY A 122 17.904 13.035 -2.158 1.00 1.61 H new ATOM 1957 N THR A 123 17.488 12.648 -4.826 1.00 1.27 N ATOM 1958 CA THR A 123 17.378 11.946 -6.093 1.00 1.42 C ATOM 1959 C THR A 123 17.766 10.472 -5.958 1.00 1.27 C ATOM 1960 O THR A 123 17.066 9.600 -6.468 1.00 1.24 O ATOM 1961 CB THR A 123 18.238 12.629 -7.185 1.00 1.94 C ATOM 1962 OG1 THR A 123 18.265 11.840 -8.382 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.660 12.867 -6.697 1.00 2.58 C ATOM 0 H THR A 123 18.222 13.356 -4.807 1.00 1.27 H new ATOM 0 HA THR A 123 16.332 11.992 -6.395 1.00 1.42 H new ATOM 0 HB THR A 123 17.779 13.593 -7.405 1.00 1.94 H new ATOM 0 HG1 THR A 123 18.812 12.291 -9.059 1.00 2.44 H new ATOM 0 HG21 THR A 123 20.240 13.348 -7.485 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.640 13.511 -5.818 1.00 2.58 H new ATOM 0 HG23 THR A 123 20.120 11.913 -6.438 1.00 2.58 H new ATOM 1971 N LYS A 124 18.865 10.188 -5.255 1.00 1.28 N ATOM 1972 CA LYS A 124 19.337 8.812 -5.111 1.00 1.24 C ATOM 1973 C LYS A 124 18.345 7.983 -4.302 1.00 1.05 C ATOM 1974 O LYS A 124 18.101 6.817 -4.615 1.00 1.04 O ATOM 1975 CB LYS A 124 20.725 8.754 -4.454 1.00 1.43 C ATOM 1976 CG LYS A 124 21.224 7.329 -4.227 1.00 2.04 C ATOM 1977 CD LYS A 124 21.343 6.562 -5.538 1.00 2.45 C ATOM 1978 CE LYS A 124 21.345 5.053 -5.322 1.00 3.14 C ATOM 1979 NZ LYS A 124 22.483 4.598 -4.479 1.00 3.80 N ATOM 0 H LYS A 124 19.439 10.886 -4.781 1.00 1.28 H new ATOM 0 HA LYS A 124 19.419 8.392 -6.114 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.439 9.287 -5.082 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.689 9.276 -3.498 1.00 1.43 H new ATOM 0 HG2 LYS A 124 22.195 7.357 -3.732 1.00 2.04 H new ATOM 0 HG3 LYS A 124 20.540 6.805 -3.559 1.00 2.04 H new ATOM 0 HD2 LYS A 124 20.514 6.833 -6.192 1.00 2.45 H new ATOM 0 HD3 LYS A 124 22.261 6.856 -6.047 1.00 2.45 H new ATOM 0 HE2 LYS A 124 20.408 4.756 -4.852 1.00 3.14 H new ATOM 0 HE3 LYS A 124 21.390 4.551 -6.289 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 22.477 3.560 -4.419 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 23.378 4.915 -4.903 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 22.391 5.001 -3.525 1.00 3.80 H new ATOM 1993 N HIS A 125 17.772 8.587 -3.270 1.00 0.96 N ATOM 1994 CA HIS A 125 16.784 7.901 -2.447 1.00 0.85 C ATOM 1995 C HIS A 125 15.575 7.498 -3.288 1.00 0.76 C ATOM 1996 O HIS A 125 15.186 6.325 -3.327 1.00 0.76 O ATOM 1997 CB HIS A 125 16.339 8.789 -1.281 1.00 0.85 C ATOM 1998 CG HIS A 125 17.318 8.856 -0.147 1.00 1.23 C ATOM 1999 ND1 HIS A 125 16.952 8.716 1.175 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.655 9.060 -0.141 1.00 1.80 C ATOM 2001 CE1 HIS A 125 18.022 8.830 1.941 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.067 9.040 1.167 1.00 2.12 N ATOM 0 H HIS A 125 17.972 9.545 -2.983 1.00 0.96 H new ATOM 0 HA HIS A 125 17.247 7.001 -2.042 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.164 9.798 -1.654 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.386 8.420 -0.902 1.00 0.85 H new ATOM 0 HD2 HIS A 125 19.283 9.211 -1.007 1.00 1.80 H new ATOM 0 HE1 HIS A 125 18.037 8.763 3.019 1.00 2.14 H new ATOM 0 HE2 HIS A 125 20.027 9.167 1.488 1.00 2.12 H new ATOM 2011 N ALA A 126 15.013 8.467 -3.990 1.00 0.77 N ATOM 2012 CA ALA A 126 13.855 8.219 -4.830 1.00 0.80 C ATOM 2013 C ALA A 126 14.202 7.272 -5.975 1.00 0.86 C ATOM 2014 O ALA A 126 13.392 6.435 -6.363 1.00 0.92 O ATOM 2015 CB ALA A 126 13.302 9.532 -5.358 1.00 0.92 C ATOM 0 H ALA A 126 15.340 9.433 -3.995 1.00 0.77 H new ATOM 0 HA ALA A 126 13.086 7.737 -4.226 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.434 9.335 -5.987 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.008 10.165 -4.521 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.067 10.039 -5.945 1.00 0.92 H new ATOM 2021 N LYS A 127 15.417 7.400 -6.497 1.00 0.92 N ATOM 2022 CA LYS A 127 15.886 6.560 -7.596 1.00 1.05 C ATOM 2023 C LYS A 127 15.969 5.093 -7.180 1.00 0.97 C ATOM 2024 O LYS A 127 15.514 4.209 -7.905 1.00 1.04 O ATOM 2025 CB LYS A 127 17.265 7.034 -8.064 1.00 1.26 C ATOM 2026 CG LYS A 127 17.813 6.270 -9.262 1.00 1.55 C ATOM 2027 CD LYS A 127 19.279 6.601 -9.516 1.00 1.93 C ATOM 2028 CE LYS A 127 19.490 8.071 -9.851 1.00 2.38 C ATOM 2029 NZ LYS A 127 18.883 8.442 -11.157 1.00 2.83 N ATOM 0 H LYS A 127 16.101 8.084 -6.174 1.00 0.92 H new ATOM 0 HA LYS A 127 15.168 6.646 -8.411 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.206 8.092 -8.318 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.968 6.943 -7.236 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.706 5.199 -9.091 1.00 1.55 H new ATOM 0 HG3 LYS A 127 17.226 6.512 -10.148 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.865 6.344 -8.634 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.651 5.987 -10.336 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.057 8.687 -9.063 1.00 2.38 H new ATOM 0 HE3 LYS A 127 20.558 8.287 -9.874 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.137 9.423 -11.392 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 19.238 7.805 -11.898 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 17.848 8.358 -11.095 1.00 2.83 H new ATOM 2043 N ARG A 128 16.551 4.841 -6.011 1.00 0.94 N ATOM 2044 CA ARG A 128 16.780 3.474 -5.548 1.00 1.00 C ATOM 2045 C ARG A 128 15.465 2.745 -5.303 1.00 0.97 C ATOM 2046 O ARG A 128 15.345 1.574 -5.628 1.00 1.09 O ATOM 2047 CB ARG A 128 17.654 3.469 -4.287 1.00 1.14 C ATOM 2048 CG ARG A 128 16.955 3.987 -3.042 1.00 1.11 C ATOM 2049 CD ARG A 128 17.925 4.225 -1.898 1.00 1.34 C ATOM 2050 NE ARG A 128 18.731 3.042 -1.605 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.337 2.806 -0.443 1.00 1.95 C ATOM 2052 NH1 ARG A 128 19.248 3.676 0.556 1.00 2.14 N ATOM 2053 NH2 ARG A 128 20.043 1.697 -0.292 1.00 2.59 N ATOM 0 H ARG A 128 16.873 5.564 -5.367 1.00 0.94 H new ATOM 0 HA ARG A 128 17.312 2.938 -6.334 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.997 2.451 -4.100 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.541 4.076 -4.471 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.438 4.917 -3.278 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.195 3.271 -2.729 1.00 1.11 H new ATOM 0 HD2 ARG A 128 18.582 5.058 -2.148 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.369 4.514 -1.006 1.00 1.34 H new ATOM 0 HE ARG A 128 18.837 2.347 -2.344 1.00 1.59 H new ATOM 0 HH11 ARG A 128 18.711 4.535 0.438 1.00 2.14 H new ATOM 0 HH12 ARG A 128 19.716 3.485 1.442 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.119 1.032 -1.062 1.00 2.59 H new ATOM 0 HH22 ARG A 128 20.511 1.507 0.594 1.00 2.59 H new ATOM 2067 N VAL A 129 14.475 3.434 -4.745 1.00 0.91 N ATOM 2068 CA VAL A 129 13.170 2.813 -4.509 1.00 1.04 C ATOM 2069 C VAL A 129 12.320 2.814 -5.790 1.00 1.04 C ATOM 2070 O VAL A 129 11.370 2.046 -5.927 1.00 1.19 O ATOM 2071 CB VAL A 129 12.428 3.497 -3.329 1.00 1.16 C ATOM 2072 CG1 VAL A 129 12.400 5.005 -3.497 1.00 1.43 C ATOM 2073 CG2 VAL A 129 11.015 2.951 -3.165 1.00 1.48 C ATOM 0 H VAL A 129 14.545 4.408 -4.450 1.00 0.91 H new ATOM 0 HA VAL A 129 13.338 1.773 -4.227 1.00 1.04 H new ATOM 0 HB VAL A 129 12.985 3.265 -2.421 1.00 1.16 H new ATOM 0 HG11 VAL A 129 11.874 5.455 -2.655 1.00 1.43 H new ATOM 0 HG12 VAL A 129 13.421 5.386 -3.533 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.885 5.258 -4.424 1.00 1.43 H new ATOM 0 HG21 VAL A 129 10.526 3.453 -2.330 1.00 1.48 H new ATOM 0 HG22 VAL A 129 10.448 3.130 -4.078 1.00 1.48 H new ATOM 0 HG23 VAL A 129 11.059 1.880 -2.969 1.00 1.48 H new ATOM 2083 N ARG A 130 12.694 3.651 -6.747 1.00 0.99 N ATOM 2084 CA ARG A 130 11.986 3.742 -8.023 1.00 1.14 C ATOM 2085 C ARG A 130 12.180 2.474 -8.863 1.00 1.05 C ATOM 2086 O ARG A 130 11.520 2.299 -9.886 1.00 1.24 O ATOM 2087 CB ARG A 130 12.413 4.976 -8.820 1.00 1.30 C ATOM 2088 CG ARG A 130 11.461 5.299 -9.958 1.00 1.75 C ATOM 2089 CD ARG A 130 11.847 6.563 -10.700 1.00 1.86 C ATOM 2090 NE ARG A 130 10.888 6.863 -11.761 1.00 2.36 N ATOM 2091 CZ ARG A 130 11.151 7.632 -12.811 1.00 2.92 C ATOM 2092 NH1 ARG A 130 12.333 8.229 -12.925 1.00 3.04 N ATOM 2093 NH2 ARG A 130 10.228 7.808 -13.749 1.00 3.83 N ATOM 0 H ARG A 130 13.490 4.283 -6.666 1.00 0.99 H new ATOM 0 HA ARG A 130 10.926 3.840 -7.789 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.474 5.833 -8.149 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.413 4.815 -9.223 1.00 1.30 H new ATOM 0 HG2 ARG A 130 11.440 4.463 -10.658 1.00 1.75 H new ATOM 0 HG3 ARG A 130 10.451 5.408 -9.562 1.00 1.75 H new ATOM 0 HD2 ARG A 130 11.895 7.398 -10.002 1.00 1.86 H new ATOM 0 HD3 ARG A 130 12.843 6.448 -11.128 1.00 1.86 H new ATOM 0 HE ARG A 130 9.956 6.455 -11.690 1.00 2.36 H new ATOM 0 HH11 ARG A 130 13.043 8.097 -12.204 1.00 3.04 H new ATOM 0 HH12 ARG A 130 12.531 8.819 -13.733 1.00 3.04 H new ATOM 0 HH21 ARG A 130 9.319 7.353 -13.662 1.00 3.83 H new ATOM 0 HH22 ARG A 130 10.428 8.398 -14.557 1.00 3.83 H new ATOM 2107 N ASN A 131 13.092 1.606 -8.418 1.00 0.85 N ATOM 2108 CA ASN A 131 13.499 0.411 -9.174 1.00 0.88 C ATOM 2109 C ASN A 131 12.305 -0.375 -9.716 1.00 1.08 C ATOM 2110 O ASN A 131 12.345 -0.869 -10.842 1.00 1.24 O ATOM 2111 CB ASN A 131 14.349 -0.519 -8.284 1.00 0.88 C ATOM 2112 CG ASN A 131 13.791 -0.702 -6.877 1.00 1.70 C ATOM 2113 OD1 ASN A 131 12.589 -0.589 -6.637 1.00 2.48 O ATOM 2114 ND2 ASN A 131 14.665 -1.016 -5.939 1.00 2.04 N ATOM 0 H ASN A 131 13.571 1.709 -7.524 1.00 0.85 H new ATOM 0 HA ASN A 131 14.084 0.763 -10.024 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.427 -1.495 -8.764 1.00 0.88 H new ATOM 0 HB3 ASN A 131 15.360 -0.116 -8.215 1.00 0.88 H new ATOM 0 HD21 ASN A 131 14.351 -1.173 -4.981 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.654 -1.102 -6.172 1.00 2.04 H new ATOM 2121 N GLY A 132 11.256 -0.493 -8.924 1.00 1.23 N ATOM 2122 CA GLY A 132 10.061 -1.166 -9.396 1.00 1.61 C ATOM 2123 C GLY A 132 8.777 -0.569 -8.848 1.00 1.21 C ATOM 2124 O GLY A 132 7.688 -0.882 -9.327 1.00 1.24 O ATOM 0 H GLY A 132 11.206 -0.139 -7.969 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.036 -1.125 -10.485 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.112 -2.219 -9.117 1.00 1.61 H new ATOM 2128 N MET A 133 8.892 0.310 -7.856 1.00 1.24 N ATOM 2129 CA MET A 133 7.720 0.823 -7.159 1.00 1.38 C ATOM 2130 C MET A 133 7.054 1.914 -7.981 1.00 1.35 C ATOM 2131 O MET A 133 5.929 2.326 -7.694 1.00 1.56 O ATOM 2132 CB MET A 133 8.103 1.373 -5.782 1.00 2.06 C ATOM 2133 CG MET A 133 9.048 0.481 -4.987 1.00 2.92 C ATOM 2134 SD MET A 133 8.467 -1.216 -4.807 1.00 3.99 S ATOM 2135 CE MET A 133 9.552 -2.076 -5.945 1.00 4.83 C ATOM 0 H MET A 133 9.781 0.679 -7.519 1.00 1.24 H new ATOM 0 HA MET A 133 7.020 -0.001 -7.022 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.569 2.350 -5.911 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.194 1.528 -5.201 1.00 2.06 H new ATOM 0 HG2 MET A 133 10.022 0.472 -5.476 1.00 2.92 H new ATOM 0 HG3 MET A 133 9.193 0.913 -3.997 1.00 2.92 H new ATOM 0 HE1 MET A 133 8.959 -2.534 -6.737 1.00 4.83 H new ATOM 0 HE2 MET A 133 10.256 -1.368 -6.382 1.00 4.83 H new ATOM 0 HE3 MET A 133 10.102 -2.850 -5.409 1.00 4.83 H new ATOM 2145 N ASP A 134 7.758 2.362 -9.014 1.00 1.38 N ATOM 2146 CA ASP A 134 7.284 3.443 -9.871 1.00 1.84 C ATOM 2147 C ASP A 134 5.984 3.058 -10.565 1.00 1.95 C ATOM 2148 O ASP A 134 5.073 3.875 -10.684 1.00 2.41 O ATOM 2149 CB ASP A 134 8.349 3.796 -10.910 1.00 2.05 C ATOM 2150 CG ASP A 134 7.960 4.988 -11.766 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.273 6.132 -11.374 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.342 4.791 -12.828 1.00 2.28 O ATOM 0 H ASP A 134 8.669 1.989 -9.281 1.00 1.38 H new ATOM 0 HA ASP A 134 7.092 4.315 -9.245 1.00 1.84 H new ATOM 0 HB2 ASP A 134 9.289 4.010 -10.402 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.523 2.933 -11.553 1.00 2.05 H new ATOM 2157 N LYS A 135 5.896 1.804 -10.999 1.00 1.70 N ATOM 2158 CA LYS A 135 4.704 1.308 -11.681 1.00 2.03 C ATOM 2159 C LYS A 135 3.888 0.416 -10.752 1.00 1.70 C ATOM 2160 O LYS A 135 2.987 -0.298 -11.188 1.00 2.17 O ATOM 2161 CB LYS A 135 5.089 0.532 -12.945 1.00 2.40 C ATOM 2162 CG LYS A 135 5.871 1.359 -13.951 1.00 3.08 C ATOM 2163 CD LYS A 135 6.050 0.635 -15.281 1.00 3.44 C ATOM 2164 CE LYS A 135 4.723 0.435 -16.000 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.147 -0.915 -15.772 1.00 4.15 N ATOM 0 H LYS A 135 6.637 1.112 -10.890 1.00 1.70 H new ATOM 0 HA LYS A 135 4.096 2.166 -11.968 1.00 2.03 H new ATOM 0 HB2 LYS A 135 5.683 -0.337 -12.661 1.00 2.40 H new ATOM 0 HB3 LYS A 135 4.183 0.157 -13.421 1.00 2.40 H new ATOM 0 HG2 LYS A 135 5.355 2.304 -14.121 1.00 3.08 H new ATOM 0 HG3 LYS A 135 6.850 1.601 -13.537 1.00 3.08 H new ATOM 0 HD2 LYS A 135 6.726 1.206 -15.918 1.00 3.44 H new ATOM 0 HD3 LYS A 135 6.519 -0.334 -15.107 1.00 3.44 H new ATOM 0 HE2 LYS A 135 4.014 1.190 -15.662 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.867 0.589 -17.069 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 4.121 -1.438 -16.671 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 4.735 -1.432 -15.088 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 3.181 -0.822 -15.398 1.00 4.15 H new ATOM 2179 N GLY A 136 4.205 0.474 -9.468 1.00 1.04 N ATOM 2180 CA GLY A 136 3.501 -0.320 -8.485 1.00 0.79 C ATOM 2181 C GLY A 136 2.150 0.274 -8.144 1.00 0.65 C ATOM 2182 O GLY A 136 1.124 -0.171 -8.655 1.00 0.57 O ATOM 0 H GLY A 136 4.945 1.063 -9.087 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.367 -1.333 -8.864 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.104 -0.396 -7.580 1.00 0.79 H new ATOM 2186 N TRP A 137 2.162 1.311 -7.313 1.00 0.68 N ATOM 2187 CA TRP A 137 0.930 1.935 -6.828 1.00 0.67 C ATOM 2188 C TRP A 137 -0.004 2.403 -7.951 1.00 0.57 C ATOM 2189 O TRP A 137 -1.192 2.119 -7.891 1.00 0.56 O ATOM 2190 CB TRP A 137 1.238 3.094 -5.875 1.00 0.81 C ATOM 2191 CG TRP A 137 1.662 2.639 -4.511 1.00 0.66 C ATOM 2192 CD1 TRP A 137 2.774 3.031 -3.822 1.00 1.62 C ATOM 2193 CD2 TRP A 137 0.982 1.695 -3.674 1.00 0.93 C ATOM 2194 NE1 TRP A 137 2.820 2.396 -2.605 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.734 1.569 -2.491 1.00 0.98 C ATOM 2196 CE3 TRP A 137 -0.191 0.947 -3.806 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.352 0.725 -1.451 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 -0.570 0.109 -2.776 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.200 0.002 -1.612 1.00 2.32 C ATOM 0 H TRP A 137 3.016 1.741 -6.958 1.00 0.68 H new ATOM 0 HA TRP A 137 0.397 1.154 -6.286 1.00 0.67 H new ATOM 0 HB2 TRP A 137 2.026 3.711 -6.306 1.00 0.81 H new ATOM 0 HB3 TRP A 137 0.354 3.725 -5.782 1.00 0.81 H new ATOM 0 HD1 TRP A 137 3.509 3.736 -4.181 1.00 1.62 H new ATOM 0 HE1 TRP A 137 3.546 2.520 -1.900 1.00 1.62 H new ATOM 0 HE3 TRP A 137 -0.792 1.023 -4.700 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 1.943 0.644 -0.550 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 -1.475 -0.473 -2.870 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.121 -0.664 -0.825 1.00 2.32 H new ATOM 2210 N PRO A 138 0.485 3.125 -8.985 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.371 3.565 -10.098 1.00 0.61 C ATOM 2212 C PRO A 138 -1.184 2.412 -10.694 1.00 0.58 C ATOM 2213 O PRO A 138 -2.381 2.548 -10.948 1.00 0.64 O ATOM 2214 CB PRO A 138 0.619 4.123 -11.132 1.00 0.68 C ATOM 2215 CG PRO A 138 1.971 3.709 -10.657 1.00 0.66 C ATOM 2216 CD PRO A 138 1.868 3.584 -9.167 1.00 0.63 C ATOM 0 HA PRO A 138 -1.110 4.297 -9.773 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.414 3.725 -12.126 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.543 5.208 -11.201 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.269 2.762 -11.108 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.724 4.446 -10.935 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.589 2.870 -8.768 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.050 4.535 -8.666 1.00 0.63 H new ATOM 2224 N THR A 139 -0.529 1.275 -10.883 1.00 0.57 N ATOM 2225 CA THR A 139 -1.180 0.084 -11.399 1.00 0.62 C ATOM 2226 C THR A 139 -2.086 -0.542 -10.332 1.00 0.54 C ATOM 2227 O THR A 139 -3.246 -0.897 -10.595 1.00 0.55 O ATOM 2228 CB THR A 139 -0.110 -0.931 -11.861 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.483 -0.492 -13.090 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.678 -2.328 -12.039 1.00 0.87 C ATOM 0 H THR A 139 0.464 1.155 -10.683 1.00 0.57 H new ATOM 0 HA THR A 139 -1.802 0.361 -12.250 1.00 0.62 H new ATOM 0 HB THR A 139 0.647 -0.981 -11.078 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.436 -0.314 -12.948 1.00 0.81 H new ATOM 0 HG21 THR A 139 0.113 -3.004 -12.364 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.087 -2.678 -11.091 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.468 -2.307 -12.789 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.550 -0.648 -9.121 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.268 -1.243 -8.008 1.00 0.47 C ATOM 2240 C ILE A 140 -3.569 -0.510 -7.734 1.00 0.42 C ATOM 2241 O ILE A 140 -4.599 -1.142 -7.558 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.408 -1.267 -6.726 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.216 -2.216 -6.907 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.246 -1.673 -5.522 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.675 -2.331 -5.688 1.00 0.72 C ATOM 0 H ILE A 140 -0.611 -0.325 -8.888 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.496 -2.270 -8.294 1.00 0.47 H new ATOM 0 HB ILE A 140 -1.026 -0.262 -6.544 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.590 -3.207 -7.165 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.383 -1.872 -7.750 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.620 -1.683 -4.630 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -3.059 -0.959 -5.387 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.660 -2.668 -5.686 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.493 -3.020 -5.899 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.081 -1.350 -5.441 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.093 -2.705 -4.846 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.518 0.815 -7.726 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.694 1.622 -7.425 1.00 0.36 C ATOM 2259 C LEU A 141 -5.815 1.349 -8.421 1.00 0.38 C ATOM 2260 O LEU A 141 -6.976 1.265 -8.045 1.00 0.42 O ATOM 2261 CB LEU A 141 -4.343 3.115 -7.403 1.00 0.38 C ATOM 2262 CG LEU A 141 -3.326 3.528 -6.332 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -3.177 5.047 -6.280 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.733 2.974 -4.972 1.00 0.56 C ATOM 0 H LEU A 141 -2.675 1.354 -7.924 1.00 0.39 H new ATOM 0 HA LEU A 141 -5.046 1.340 -6.433 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.951 3.395 -8.381 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -5.259 3.686 -7.251 1.00 0.38 H new ATOM 0 HG LEU A 141 -2.356 3.107 -6.598 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -2.451 5.315 -5.513 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.834 5.412 -7.248 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -4.140 5.499 -6.042 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -3.001 3.276 -4.222 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.714 3.364 -4.699 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.775 1.886 -5.020 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.471 1.170 -9.686 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.487 0.904 -10.701 1.00 0.48 C ATOM 2278 C GLN A 142 -7.217 -0.393 -10.375 1.00 0.47 C ATOM 2279 O GLN A 142 -8.449 -0.430 -10.310 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.858 0.826 -12.093 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.076 2.071 -12.481 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.930 3.323 -12.494 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.524 3.669 -13.513 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.996 4.013 -11.366 1.00 0.77 N ATOM 0 H GLN A 142 -4.513 1.202 -10.035 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.203 1.726 -10.700 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -5.194 -0.037 -12.134 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.645 0.658 -12.829 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -4.250 2.208 -11.783 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.638 1.926 -13.468 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.488 3.692 -10.542 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -6.555 4.865 -11.321 1.00 0.77 H new ATOM 2293 N SER A 143 -6.443 -1.441 -10.136 1.00 0.49 N ATOM 2294 CA SER A 143 -6.996 -2.726 -9.730 1.00 0.53 C ATOM 2295 C SER A 143 -7.654 -2.624 -8.352 1.00 0.45 C ATOM 2296 O SER A 143 -8.590 -3.361 -8.043 1.00 0.46 O ATOM 2297 CB SER A 143 -5.878 -3.759 -9.714 1.00 0.64 C ATOM 2298 OG SER A 143 -5.270 -3.866 -10.990 1.00 1.15 O ATOM 0 H SER A 143 -5.426 -1.427 -10.216 1.00 0.49 H new ATOM 0 HA SER A 143 -7.765 -3.030 -10.440 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.130 -3.479 -8.972 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.277 -4.728 -9.414 1.00 0.64 H new ATOM 0 HG SER A 143 -5.853 -4.378 -11.588 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.155 -1.702 -7.536 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.665 -1.483 -6.190 1.00 0.36 C ATOM 2306 C PHE A 144 -9.080 -0.898 -6.224 1.00 0.32 C ATOM 2307 O PHE A 144 -10.005 -1.471 -5.647 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.713 -0.546 -5.437 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.157 -0.168 -4.056 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.268 -1.125 -3.064 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.447 1.152 -3.748 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.659 -0.773 -1.790 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.840 1.511 -2.474 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.945 0.545 -1.493 1.00 0.78 C ATOM 0 H PHE A 144 -6.384 -1.085 -7.791 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.719 -2.441 -5.672 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.735 -1.023 -5.370 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.584 0.364 -6.023 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -7.046 -2.158 -3.290 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.365 1.909 -4.514 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.742 -1.529 -1.023 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.064 2.543 -2.246 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.251 0.820 -0.494 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.245 0.228 -6.922 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.556 0.867 -7.059 1.00 0.31 C ATOM 2326 C GLN A 145 -11.554 -0.069 -7.724 1.00 0.35 C ATOM 2327 O GLN A 145 -12.740 -0.066 -7.393 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.472 2.156 -7.879 1.00 0.33 C ATOM 2329 CG GLN A 145 -10.033 3.362 -7.076 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.554 3.644 -7.190 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -7.757 3.152 -6.394 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.179 4.439 -8.179 1.00 0.66 N ATOM 0 H GLN A 145 -8.488 0.716 -7.401 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.893 1.107 -6.050 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.775 2.007 -8.704 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.448 2.360 -8.320 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.590 4.237 -7.411 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -10.287 3.205 -6.028 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -8.876 4.825 -8.816 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.193 4.666 -8.305 1.00 0.66 H new ATOM 2341 N ASP A 146 -11.063 -0.870 -8.658 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.923 -1.758 -9.432 1.00 0.43 C ATOM 2343 C ASP A 146 -12.374 -2.942 -8.586 1.00 0.40 C ATOM 2344 O ASP A 146 -13.535 -3.347 -8.638 1.00 0.44 O ATOM 2345 CB ASP A 146 -11.202 -2.247 -10.686 1.00 0.55 C ATOM 2346 CG ASP A 146 -12.159 -2.900 -11.656 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.951 -2.167 -12.290 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -12.127 -4.136 -11.795 1.00 1.46 O ATOM 0 H ASP A 146 -10.074 -0.925 -8.900 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.805 -1.195 -9.737 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.706 -1.407 -11.172 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.425 -2.958 -10.406 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.450 -3.477 -7.795 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.761 -4.548 -6.852 1.00 0.51 C ATOM 2355 C LYS A 147 -12.805 -4.068 -5.846 1.00 0.48 C ATOM 2356 O LYS A 147 -13.710 -4.809 -5.458 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.485 -4.987 -6.117 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.698 -6.090 -5.090 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.124 -7.395 -5.745 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.231 -8.518 -4.727 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.274 -8.247 -3.702 1.00 1.74 N ATOM 0 H LYS A 147 -10.473 -3.185 -7.788 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.163 -5.399 -7.401 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.756 -5.328 -6.852 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.052 -4.121 -5.617 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.777 -6.248 -4.530 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.457 -5.778 -4.373 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.085 -7.258 -6.240 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.404 -7.669 -6.516 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.462 -9.451 -5.241 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.268 -8.654 -4.236 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -11.834 -8.208 -2.761 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -12.734 -7.337 -3.907 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -12.985 -9.006 -3.721 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.671 -2.812 -5.439 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.598 -2.202 -4.501 1.00 0.40 C ATOM 2377 C ILE A 148 -14.928 -1.875 -5.177 1.00 0.42 C ATOM 2378 O ILE A 148 -15.972 -1.837 -4.531 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.998 -0.921 -3.887 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.757 -1.261 -3.067 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.023 -0.203 -3.022 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.141 -0.065 -2.375 1.00 0.37 C ATOM 0 H ILE A 148 -11.922 -2.193 -5.749 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.778 -2.924 -3.704 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.712 -0.253 -4.700 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.020 -2.008 -2.318 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.013 -1.715 -3.721 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.576 0.697 -2.600 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.885 0.071 -3.631 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.343 -0.862 -2.215 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.264 -0.383 -1.811 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.846 0.674 -3.120 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.869 0.376 -1.694 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.896 -1.652 -6.482 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.120 -1.371 -7.221 1.00 0.49 C ATOM 2396 C ASP A 149 -17.025 -2.590 -7.184 1.00 0.55 C ATOM 2397 O ASP A 149 -18.248 -2.471 -7.174 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.817 -0.984 -8.668 1.00 0.54 C ATOM 2399 CG ASP A 149 -17.022 -0.387 -9.367 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.337 0.794 -9.102 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.646 -1.079 -10.190 1.00 0.77 O ATOM 0 H ASP A 149 -14.047 -1.659 -7.047 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.623 -0.527 -6.749 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.997 -0.266 -8.686 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.482 -1.865 -9.215 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.404 -3.761 -7.130 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.126 -5.021 -7.007 1.00 0.68 C ATOM 2408 C GLU A 150 -17.819 -5.086 -5.655 1.00 0.75 C ATOM 2409 O GLU A 150 -18.907 -5.646 -5.517 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.164 -6.198 -7.158 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.386 -6.188 -8.464 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.403 -7.336 -8.562 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -13.197 -7.111 -8.350 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.839 -8.471 -8.836 1.00 1.50 O ATOM 0 H GLU A 150 -15.390 -3.864 -7.170 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.875 -5.078 -7.797 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.460 -6.189 -6.326 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.728 -7.128 -7.089 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -16.084 -6.239 -9.300 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.848 -5.244 -8.556 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.178 -4.482 -4.666 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.734 -4.386 -3.328 1.00 0.84 C ATOM 2423 C GLU A 151 -18.892 -3.394 -3.324 1.00 0.88 C ATOM 2424 O GLU A 151 -19.779 -3.449 -2.472 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.660 -3.927 -2.335 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.371 -4.732 -2.399 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.605 -6.215 -2.245 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.029 -6.996 -3.030 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -16.372 -6.609 -1.345 1.00 1.63 O ATOM 0 H GLU A 151 -16.261 -4.047 -4.769 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.095 -5.369 -3.026 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.431 -2.878 -2.523 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.064 -3.988 -1.325 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.876 -4.543 -3.351 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.695 -4.391 -1.615 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.876 -2.490 -4.294 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.883 -1.456 -4.367 1.00 0.96 C ATOM 2438 C GLY A 152 -20.988 -1.776 -5.353 1.00 1.04 C ATOM 2439 O GLY A 152 -21.992 -2.387 -4.986 1.00 1.32 O ATOM 0 H GLY A 152 -18.177 -2.457 -5.036 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.317 -1.309 -3.378 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.411 -0.516 -4.651 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.796 -1.388 -6.609 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.859 -1.469 -7.603 1.00 1.47 C ATOM 2445 C ALA A 153 -21.360 -2.008 -8.944 1.00 1.29 C ATOM 2446 O ALA A 153 -21.888 -1.654 -9.998 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.489 -0.097 -7.790 1.00 1.92 C ATOM 0 H ALA A 153 -19.915 -1.015 -6.962 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.605 -2.172 -7.233 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.284 -0.160 -8.534 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.905 0.245 -6.842 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.730 0.609 -8.128 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.350 -2.866 -8.905 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.857 -3.532 -10.114 1.00 1.02 C ATOM 2455 C LYS A 154 -20.897 -4.520 -10.638 1.00 1.38 C ATOM 2456 O LYS A 154 -20.875 -4.920 -11.803 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.550 -4.275 -9.810 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.949 -5.015 -10.999 1.00 1.02 C ATOM 2459 CD LYS A 154 -17.381 -4.061 -12.039 1.00 0.95 C ATOM 2460 CE LYS A 154 -16.110 -3.381 -11.548 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.514 -2.512 -12.594 1.00 1.32 N ATOM 0 H LYS A 154 -19.853 -3.121 -8.052 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.672 -2.774 -10.875 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.818 -3.558 -9.437 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.732 -4.990 -9.008 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -17.160 -5.681 -10.650 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -18.713 -5.640 -11.460 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -17.169 -4.609 -12.957 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -18.127 -3.305 -12.284 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.334 -2.785 -10.664 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.385 -4.138 -11.247 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.641 -2.079 -12.230 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.293 -3.083 -13.435 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -16.190 -1.765 -12.851 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.806 -4.898 -9.758 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.820 -5.891 -10.063 1.00 2.44 C ATOM 2477 C LYS A 155 -24.072 -5.241 -10.655 1.00 3.14 C ATOM 2478 O LYS A 155 -25.092 -5.139 -9.946 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.141 -6.669 -8.784 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.363 -5.772 -7.573 1.00 2.95 C ATOM 2481 CD LYS A 155 -23.215 -6.535 -6.268 1.00 3.46 C ATOM 2482 CE LYS A 155 -21.807 -7.089 -6.100 1.00 3.45 C ATOM 2483 NZ LYS A 155 -21.605 -7.694 -4.759 1.00 4.22 N ATOM 2484 OXT LYS A 155 -24.025 -4.827 -11.833 1.00 3.60 O ATOM 0 H LYS A 155 -21.862 -4.525 -8.810 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.442 -6.580 -10.818 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -24.033 -7.273 -8.949 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -22.324 -7.359 -8.572 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -22.649 -4.949 -7.595 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -24.359 -5.332 -7.625 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -23.450 -5.876 -5.432 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -23.934 -7.353 -6.241 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -21.618 -7.839 -6.868 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -21.082 -6.289 -6.250 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -20.634 -8.059 -4.686 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -21.760 -6.973 -4.026 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -22.279 -8.474 -4.625 1.00 4.22 H new TER 2498 LYS A 155