USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 612 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 67 HIS : no HE2:sc= -1.25 K(o=-3.2,f=-9.1) USER MOD Set 1.2: A 70 GLN :FLIP amide:sc= -1.98 F(o=-4.5!,f=-3.2) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.647 K(o=1.8,f=-1.7) USER MOD Set 2.2: A 73 THR OG1 : rot 122:sc= 1.2 USER MOD Single : A 3 SER OG : rot 180:sc= 0.347 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.07 F(o=-4.1!,f=-1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.65) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0414 F(o=-2!,f=-0.041) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -77:sc= 0.13 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 36 TYR OH : rot 7:sc= 0.355 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -1.09 (180deg=-2.13!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.489 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 44 GLN :FLIP amide:sc= 0.473 F(o=-0.76,f=0.47) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -111:sc=-0.00464 (180deg=-0.524) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.0415 X(o=-0.042,f=-0.055) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.0968 (180deg=-0.591) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.0879 (180deg=-0.472) USER MOD Single : A 65 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.05) USER MOD Single : A 72 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.2) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.939 14.959 -7.908 1.00 72.44 N ATOM 2 CA PRO A 1 -11.314 14.388 -6.700 1.00 63.23 C ATOM 3 C PRO A 1 -10.129 13.519 -7.089 1.00 50.34 C ATOM 4 O PRO A 1 -9.772 13.450 -8.266 1.00 54.34 O ATOM 5 CB PRO A 1 -12.358 13.568 -5.956 1.00 35.02 C ATOM 6 CG PRO A 1 -13.606 13.758 -6.752 1.00 24.21 C ATOM 7 CD PRO A 1 -13.382 14.966 -7.636 1.00 63.42 C ATOM 0 H2 PRO A 1 -11.723 14.399 -8.733 1.00 72.44 H new ATOM 0 H3 PRO A 1 -11.595 15.902 -8.089 1.00 72.44 H new ATOM 0 HA PRO A 1 -10.950 15.186 -6.053 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -12.075 12.517 -5.903 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -12.482 13.917 -4.931 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -13.820 12.874 -7.353 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -14.463 13.913 -6.096 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -13.960 14.896 -8.557 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -13.688 15.886 -7.137 1.00 63.42 H new ATOM 17 N GLY A 2 -9.515 12.870 -6.107 1.00 35.53 N ATOM 18 CA GLY A 2 -8.406 11.980 -6.386 1.00 24.52 C ATOM 19 C GLY A 2 -8.857 10.713 -7.085 1.00 1.40 C ATOM 20 O GLY A 2 -9.311 9.775 -6.430 1.00 22.44 O ATOM 0 H GLY A 2 -9.766 12.945 -5.121 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -7.674 12.496 -7.008 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -7.905 11.721 -5.453 1.00 24.52 H new ATOM 24 N SER A 3 -8.730 10.714 -8.414 1.00 10.13 N ATOM 25 CA SER A 3 -9.142 9.607 -9.284 1.00 12.40 C ATOM 26 C SER A 3 -10.564 9.116 -8.989 1.00 50.22 C ATOM 27 O SER A 3 -11.526 9.617 -9.575 1.00 24.11 O ATOM 28 CB SER A 3 -8.130 8.444 -9.249 1.00 44.31 C ATOM 29 OG SER A 3 -7.906 7.954 -7.933 1.00 54.01 O ATOM 0 H SER A 3 -8.330 11.500 -8.927 1.00 10.13 H new ATOM 0 HA SER A 3 -9.154 10.008 -10.297 1.00 12.40 H new ATOM 0 HB2 SER A 3 -8.494 7.632 -9.878 1.00 44.31 H new ATOM 0 HB3 SER A 3 -7.184 8.778 -9.675 1.00 44.31 H new ATOM 0 HG SER A 3 -7.260 7.218 -7.964 1.00 54.01 H new ATOM 35 N MET A 4 -10.682 8.133 -8.091 1.00 64.30 N ATOM 36 CA MET A 4 -11.965 7.519 -7.718 1.00 73.21 C ATOM 37 C MET A 4 -12.537 6.657 -8.846 1.00 42.35 C ATOM 38 O MET A 4 -13.463 5.871 -8.630 1.00 54.24 O ATOM 39 CB MET A 4 -12.988 8.568 -7.267 1.00 72.52 C ATOM 40 CG MET A 4 -12.651 9.201 -5.928 1.00 21.33 C ATOM 41 SD MET A 4 -13.923 10.343 -5.355 1.00 14.12 S ATOM 42 CE MET A 4 -13.267 10.787 -3.747 1.00 12.30 C ATOM 0 H MET A 4 -9.883 7.736 -7.597 1.00 64.30 H new ATOM 0 HA MET A 4 -11.760 6.864 -6.871 1.00 73.21 H new ATOM 0 HB2 MET A 4 -13.054 9.350 -8.024 1.00 72.52 H new ATOM 0 HB3 MET A 4 -13.971 8.102 -7.203 1.00 72.52 H new ATOM 0 HG2 MET A 4 -12.513 8.416 -5.185 1.00 21.33 H new ATOM 0 HG3 MET A 4 -11.703 9.732 -6.011 1.00 21.33 H new ATOM 0 HE1 MET A 4 -13.942 11.492 -3.261 1.00 12.30 H new ATOM 0 HE2 MET A 4 -13.173 9.892 -3.133 1.00 12.30 H new ATOM 0 HE3 MET A 4 -12.287 11.248 -3.869 1.00 12.30 H new ATOM 52 N THR A 5 -11.990 6.807 -10.043 1.00 5.32 N ATOM 53 CA THR A 5 -12.341 5.956 -11.164 1.00 22.53 C ATOM 54 C THR A 5 -11.837 4.539 -10.906 1.00 65.22 C ATOM 55 O THR A 5 -10.629 4.291 -10.903 1.00 62.04 O ATOM 56 CB THR A 5 -11.729 6.498 -12.469 1.00 42.10 C ATOM 57 OG1 THR A 5 -11.957 7.913 -12.551 1.00 71.41 O ATOM 58 CG2 THR A 5 -12.335 5.810 -13.685 1.00 53.01 C ATOM 0 H THR A 5 -11.294 7.520 -10.262 1.00 5.32 H new ATOM 0 HA THR A 5 -13.426 5.945 -11.270 1.00 22.53 H new ATOM 0 HB THR A 5 -10.658 6.294 -12.460 1.00 42.10 H new ATOM 0 HG1 THR A 5 -11.567 8.260 -13.380 1.00 71.41 H new ATOM 0 HG21 THR A 5 -11.885 6.212 -14.593 1.00 53.01 H new ATOM 0 HG22 THR A 5 -12.144 4.738 -13.629 1.00 53.01 H new ATOM 0 HG23 THR A 5 -13.410 5.987 -13.705 1.00 53.01 H new ATOM 66 N VAL A 6 -12.758 3.619 -10.674 1.00 4.20 N ATOM 67 CA VAL A 6 -12.393 2.274 -10.264 1.00 13.52 C ATOM 68 C VAL A 6 -12.759 1.245 -11.332 1.00 40.55 C ATOM 69 O VAL A 6 -13.799 1.344 -11.984 1.00 4.41 O ATOM 70 CB VAL A 6 -13.060 1.909 -8.913 1.00 75.41 C ATOM 71 CG1 VAL A 6 -14.577 1.937 -9.022 1.00 44.14 C ATOM 72 CG2 VAL A 6 -12.578 0.554 -8.410 1.00 12.15 C ATOM 0 H VAL A 6 -13.762 3.778 -10.762 1.00 4.20 H new ATOM 0 HA VAL A 6 -11.311 2.254 -10.135 1.00 13.52 H new ATOM 0 HB VAL A 6 -12.762 2.664 -8.185 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -15.016 1.677 -8.059 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -14.903 2.936 -9.311 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -14.901 1.218 -9.774 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -13.063 0.325 -7.461 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -12.828 -0.215 -9.140 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -11.498 0.582 -8.268 1.00 12.15 H new ATOM 82 N THR A 7 -11.876 0.276 -11.520 1.00 31.41 N ATOM 83 CA THR A 7 -12.106 -0.810 -12.454 1.00 35.31 C ATOM 84 C THR A 7 -13.029 -1.853 -11.813 1.00 31.42 C ATOM 85 O THR A 7 -13.173 -1.872 -10.589 1.00 72.04 O ATOM 86 CB THR A 7 -10.762 -1.469 -12.842 1.00 54.51 C ATOM 87 OG1 THR A 7 -9.754 -0.458 -13.005 1.00 5.41 O ATOM 88 CG2 THR A 7 -10.888 -2.264 -14.134 1.00 10.33 C ATOM 0 H THR A 7 -10.983 0.222 -11.030 1.00 31.41 H new ATOM 0 HA THR A 7 -12.578 -0.413 -13.353 1.00 35.31 H new ATOM 0 HB THR A 7 -10.480 -2.153 -12.041 1.00 54.51 H new ATOM 0 HG1 THR A 7 -8.904 -0.880 -13.249 1.00 5.41 H new ATOM 0 HG21 THR A 7 -9.926 -2.715 -14.379 1.00 10.33 H new ATOM 0 HG22 THR A 7 -11.634 -3.048 -14.007 1.00 10.33 H new ATOM 0 HG23 THR A 7 -11.194 -1.599 -14.942 1.00 10.33 H new ATOM 96 N GLN A 8 -13.675 -2.681 -12.641 1.00 3.23 N ATOM 97 CA GLN A 8 -14.538 -3.772 -12.162 1.00 50.02 C ATOM 98 C GLN A 8 -15.885 -3.235 -11.658 1.00 1.14 C ATOM 99 O GLN A 8 -16.752 -3.996 -11.228 1.00 72.35 O ATOM 100 CB GLN A 8 -13.812 -4.578 -11.069 1.00 43.14 C ATOM 101 CG GLN A 8 -14.581 -5.773 -10.537 1.00 33.25 C ATOM 102 CD GLN A 8 -13.896 -6.400 -9.341 1.00 53.30 C ATOM 103 OE1 GLN A 8 -14.219 -5.916 -8.148 1.00 54.41 O flip ATOM 104 NE2 GLN A 8 -13.075 -7.306 -9.485 1.00 54.35 N flip ATOM 0 H GLN A 8 -13.617 -2.617 -13.657 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.750 -4.438 -12.998 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -12.859 -4.926 -11.468 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -13.585 -3.911 -10.237 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -15.587 -5.461 -10.257 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.686 -6.517 -11.326 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -12.854 -7.650 -10.419 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -12.616 -7.712 -8.670 1.00 54.35 H new ATOM 113 N SER A 9 -16.075 -1.926 -11.758 1.00 52.14 N ATOM 114 CA SER A 9 -17.297 -1.293 -11.281 1.00 2.52 C ATOM 115 C SER A 9 -18.503 -1.773 -12.094 1.00 0.31 C ATOM 116 O SER A 9 -19.574 -2.029 -11.541 1.00 54.11 O ATOM 117 CB SER A 9 -17.165 0.230 -11.359 1.00 33.54 C ATOM 118 OG SER A 9 -18.206 0.878 -10.646 1.00 75.12 O ATOM 0 H SER A 9 -15.398 -1.281 -12.166 1.00 52.14 H new ATOM 0 HA SER A 9 -17.455 -1.576 -10.240 1.00 2.52 H new ATOM 0 HB2 SER A 9 -16.200 0.534 -10.953 1.00 33.54 H new ATOM 0 HB3 SER A 9 -17.186 0.545 -12.402 1.00 33.54 H new ATOM 0 HG SER A 9 -18.093 1.849 -10.713 1.00 75.12 H new ATOM 124 N GLN A 10 -18.316 -1.912 -13.402 1.00 65.43 N ATOM 125 CA GLN A 10 -19.375 -2.401 -14.281 1.00 50.30 C ATOM 126 C GLN A 10 -19.701 -3.857 -13.958 1.00 24.22 C ATOM 127 O GLN A 10 -20.863 -4.260 -13.972 1.00 13.03 O ATOM 128 CB GLN A 10 -18.963 -2.259 -15.752 1.00 3.51 C ATOM 129 CG GLN A 10 -20.024 -2.723 -16.745 1.00 31.21 C ATOM 130 CD GLN A 10 -21.329 -1.954 -16.630 1.00 30.13 C ATOM 131 OE1 GLN A 10 -21.347 -0.787 -16.235 1.00 43.14 O ATOM 132 NE2 GLN A 10 -22.429 -2.591 -16.997 1.00 21.05 N ATOM 0 H GLN A 10 -17.441 -1.693 -13.878 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.268 -1.798 -14.115 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.726 -1.214 -15.952 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -18.050 -2.831 -15.919 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.635 -2.617 -17.758 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -20.220 -3.784 -16.588 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -22.375 -3.557 -17.319 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -23.331 -2.116 -16.958 1.00 21.05 H new ATOM 141 N LEU A 11 -18.665 -4.637 -13.656 1.00 1.21 N ATOM 142 CA LEU A 11 -18.837 -6.030 -13.259 1.00 12.41 C ATOM 143 C LEU A 11 -19.666 -6.104 -11.977 1.00 54.11 C ATOM 144 O LEU A 11 -20.641 -6.855 -11.901 1.00 71.13 O ATOM 145 CB LEU A 11 -17.457 -6.693 -13.074 1.00 53.43 C ATOM 146 CG LEU A 11 -17.441 -8.213 -12.837 1.00 4.24 C ATOM 147 CD1 LEU A 11 -17.795 -8.555 -11.396 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.387 -8.920 -13.799 1.00 61.15 C ATOM 0 H LEU A 11 -17.694 -4.325 -13.679 1.00 1.21 H new ATOM 0 HA LEU A 11 -19.372 -6.572 -14.039 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -16.858 -6.481 -13.959 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -16.960 -6.213 -12.231 1.00 53.43 H new ATOM 0 HG LEU A 11 -16.427 -8.564 -13.026 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -17.774 -9.637 -11.263 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -17.072 -8.093 -10.724 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -18.793 -8.180 -11.168 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.359 -9.994 -13.613 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -19.402 -8.552 -13.648 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -18.078 -8.721 -14.825 1.00 61.15 H new ATOM 160 N GLU A 12 -19.280 -5.312 -10.981 1.00 14.13 N ATOM 161 CA GLU A 12 -20.009 -5.248 -9.722 1.00 13.33 C ATOM 162 C GLU A 12 -21.453 -4.821 -9.959 1.00 23.45 C ATOM 163 O GLU A 12 -22.384 -5.420 -9.419 1.00 35.24 O ATOM 164 CB GLU A 12 -19.326 -4.283 -8.758 1.00 72.23 C ATOM 165 CG GLU A 12 -17.976 -4.776 -8.267 1.00 2.41 C ATOM 166 CD GLU A 12 -17.276 -3.782 -7.360 1.00 74.31 C ATOM 167 OE1 GLU A 12 -17.901 -2.765 -6.982 1.00 33.12 O ATOM 168 OE2 GLU A 12 -16.096 -4.014 -7.021 1.00 23.41 O ATOM 0 H GLU A 12 -18.462 -4.704 -11.024 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.010 -6.243 -9.277 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.195 -3.320 -9.251 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.977 -4.116 -7.900 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -18.111 -5.716 -7.731 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.339 -4.988 -9.125 1.00 2.41 H new ATOM 175 N LEU A 13 -21.629 -3.794 -10.781 1.00 24.43 N ATOM 176 CA LEU A 13 -22.959 -3.331 -11.155 1.00 1.43 C ATOM 177 C LEU A 13 -23.758 -4.472 -11.774 1.00 31.21 C ATOM 178 O LEU A 13 -24.890 -4.725 -11.381 1.00 4.34 O ATOM 179 CB LEU A 13 -22.846 -2.141 -12.126 1.00 73.45 C ATOM 180 CG LEU A 13 -24.158 -1.613 -12.727 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.047 -0.119 -12.995 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.488 -2.337 -14.027 1.00 50.21 C ATOM 0 H LEU A 13 -20.865 -3.265 -11.202 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.487 -2.995 -10.263 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.357 -1.320 -11.602 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.189 -2.432 -12.946 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.957 -1.797 -12.009 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.982 0.245 -13.421 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.846 0.404 -12.060 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.233 0.065 -13.696 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.421 -1.947 -14.434 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.684 -2.179 -14.746 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.596 -3.404 -13.832 1.00 50.21 H new ATOM 194 N LEU A 14 -23.143 -5.175 -12.711 1.00 72.01 N ATOM 195 CA LEU A 14 -23.808 -6.255 -13.430 1.00 3.52 C ATOM 196 C LEU A 14 -24.287 -7.338 -12.466 1.00 71.02 C ATOM 197 O LEU A 14 -25.456 -7.725 -12.485 1.00 70.32 O ATOM 198 CB LEU A 14 -22.861 -6.859 -14.469 1.00 33.20 C ATOM 199 CG LEU A 14 -23.461 -7.971 -15.330 1.00 40.12 C ATOM 200 CD1 LEU A 14 -24.605 -7.438 -16.183 1.00 54.01 C ATOM 201 CD2 LEU A 14 -22.390 -8.603 -16.205 1.00 11.21 C ATOM 0 H LEU A 14 -22.176 -5.017 -12.995 1.00 72.01 H new ATOM 0 HA LEU A 14 -24.678 -5.840 -13.939 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -22.512 -6.062 -15.125 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -21.986 -7.253 -13.953 1.00 33.20 H new ATOM 0 HG LEU A 14 -23.862 -8.738 -14.667 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.016 -8.247 -16.787 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -25.385 -7.036 -15.536 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -24.234 -6.649 -16.837 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -22.834 -9.392 -16.811 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -21.959 -7.844 -16.857 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -21.608 -9.026 -15.574 1.00 11.21 H new ATOM 213 N ILE A 15 -23.384 -7.800 -11.610 1.00 13.25 N ATOM 214 CA ILE A 15 -23.697 -8.865 -10.666 1.00 24.23 C ATOM 215 C ILE A 15 -24.774 -8.424 -9.677 1.00 61.32 C ATOM 216 O ILE A 15 -25.712 -9.169 -9.397 1.00 75.31 O ATOM 217 CB ILE A 15 -22.439 -9.319 -9.891 1.00 33.14 C ATOM 218 CG1 ILE A 15 -21.383 -9.860 -10.859 1.00 70.34 C ATOM 219 CG2 ILE A 15 -22.792 -10.372 -8.845 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.865 -11.027 -11.698 1.00 63.52 C ATOM 0 H ILE A 15 -22.427 -7.453 -11.550 1.00 13.25 H new ATOM 0 HA ILE A 15 -24.072 -9.707 -11.247 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.028 -8.452 -9.373 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -21.064 -9.055 -11.521 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -20.507 -10.171 -10.290 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -21.889 -10.674 -8.314 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -23.508 -9.955 -8.136 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -23.232 -11.240 -9.336 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.063 -11.356 -12.359 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -22.157 -11.849 -11.044 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -22.723 -10.716 -12.295 1.00 63.52 H new ATOM 232 N ARG A 16 -24.654 -7.201 -9.177 1.00 32.24 N ATOM 233 CA ARG A 16 -25.592 -6.690 -8.182 1.00 15.30 C ATOM 234 C ARG A 16 -26.949 -6.389 -8.821 1.00 74.23 C ATOM 235 O ARG A 16 -27.984 -6.456 -8.162 1.00 15.23 O ATOM 236 CB ARG A 16 -25.030 -5.429 -7.521 1.00 23.14 C ATOM 237 CG ARG A 16 -25.295 -5.340 -6.022 1.00 71.35 C ATOM 238 CD ARG A 16 -26.777 -5.370 -5.701 1.00 63.11 C ATOM 239 NE ARG A 16 -27.040 -5.032 -4.309 1.00 73.55 N ATOM 240 CZ ARG A 16 -28.204 -4.566 -3.864 1.00 72.42 C ATOM 241 NH1 ARG A 16 -29.237 -4.451 -4.690 1.00 4.32 N ATOM 242 NH2 ARG A 16 -28.334 -4.224 -2.590 1.00 75.13 N ATOM 0 H ARG A 16 -23.919 -6.545 -9.442 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.732 -7.456 -7.419 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.954 -5.391 -7.692 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.461 -4.554 -8.008 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.798 -6.168 -5.517 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -24.859 -4.421 -5.631 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -27.303 -4.670 -6.350 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -27.174 -6.362 -5.915 1.00 63.11 H new ATOM 0 HE ARG A 16 -26.286 -5.160 -3.634 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -29.140 -4.720 -5.669 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -30.128 -4.093 -4.346 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -27.543 -4.318 -1.953 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -29.225 -3.866 -2.246 1.00 75.13 H new ATOM 256 N ASN A 17 -26.944 -6.042 -10.099 1.00 21.01 N ATOM 257 CA ASN A 17 -28.192 -5.765 -10.804 1.00 71.44 C ATOM 258 C ASN A 17 -28.876 -7.069 -11.194 1.00 24.13 C ATOM 259 O ASN A 17 -30.099 -7.126 -11.307 1.00 64.41 O ATOM 260 CB ASN A 17 -27.959 -4.891 -12.045 1.00 22.11 C ATOM 261 CG ASN A 17 -27.695 -3.424 -11.711 1.00 54.33 C ATOM 262 OD1 ASN A 17 -27.009 -3.167 -10.608 1.00 70.12 O flip ATOM 263 ND2 ASN A 17 -28.091 -2.530 -12.456 1.00 64.22 N flip ATOM 0 H ASN A 17 -26.102 -5.945 -10.666 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.841 -5.210 -10.127 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.112 -5.287 -12.606 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -28.831 -4.957 -12.696 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -28.617 -2.764 -13.298 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -27.893 -1.555 -12.232 1.00 64.22 H new ATOM 270 N ALA A 18 -28.081 -8.112 -11.398 1.00 24.13 N ATOM 271 CA ALA A 18 -28.618 -9.436 -11.674 1.00 52.44 C ATOM 272 C ALA A 18 -29.124 -10.093 -10.391 1.00 63.32 C ATOM 273 O ALA A 18 -30.222 -10.649 -10.359 1.00 53.11 O ATOM 274 CB ALA A 18 -27.567 -10.312 -12.340 1.00 44.34 C ATOM 0 H ALA A 18 -27.062 -8.065 -11.377 1.00 24.13 H new ATOM 0 HA ALA A 18 -29.460 -9.325 -12.358 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -27.988 -11.298 -12.538 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -27.254 -9.855 -13.279 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -26.705 -10.411 -11.680 1.00 44.34 H new ATOM 280 N PHE A 19 -28.317 -10.027 -9.338 1.00 32.44 N ATOM 281 CA PHE A 19 -28.685 -10.603 -8.049 1.00 64.45 C ATOM 282 C PHE A 19 -28.845 -9.502 -7.005 1.00 11.13 C ATOM 283 O PHE A 19 -27.861 -9.020 -6.443 1.00 74.13 O ATOM 284 CB PHE A 19 -27.623 -11.598 -7.578 1.00 5.30 C ATOM 285 CG PHE A 19 -27.255 -12.647 -8.587 1.00 32.32 C ATOM 286 CD1 PHE A 19 -28.042 -13.774 -8.756 1.00 44.11 C ATOM 287 CD2 PHE A 19 -26.113 -12.510 -9.361 1.00 21.44 C ATOM 288 CE1 PHE A 19 -27.698 -14.743 -9.679 1.00 53.12 C ATOM 289 CE2 PHE A 19 -25.764 -13.477 -10.282 1.00 21.41 C ATOM 290 CZ PHE A 19 -26.557 -14.595 -10.441 1.00 4.25 C ATOM 0 H PHE A 19 -27.401 -9.579 -9.352 1.00 32.44 H new ATOM 0 HA PHE A 19 -29.633 -11.128 -8.171 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -26.724 -11.046 -7.303 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -27.982 -12.092 -6.675 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -28.934 -13.897 -8.160 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -25.489 -11.636 -9.242 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -28.322 -15.616 -9.804 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -24.871 -13.359 -10.878 1.00 21.41 H new ATOM 0 HZ PHE A 19 -26.285 -15.353 -11.161 1.00 4.25 H new ATOM 300 N PRO A 20 -30.090 -9.076 -6.743 1.00 74.32 N ATOM 301 CA PRO A 20 -30.370 -7.994 -5.795 1.00 62.04 C ATOM 302 C PRO A 20 -30.258 -8.424 -4.332 1.00 53.13 C ATOM 303 O PRO A 20 -30.291 -7.584 -3.430 1.00 3.14 O ATOM 304 CB PRO A 20 -31.811 -7.604 -6.133 1.00 73.25 C ATOM 305 CG PRO A 20 -32.426 -8.850 -6.673 1.00 43.34 C ATOM 306 CD PRO A 20 -31.320 -9.597 -7.373 1.00 54.10 C ATOM 0 HA PRO A 20 -29.650 -7.181 -5.890 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -32.343 -7.251 -5.249 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -31.841 -6.798 -6.866 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.855 -9.451 -5.871 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -33.236 -8.616 -7.364 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.415 -10.674 -7.235 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.329 -9.411 -8.447 1.00 54.10 H new ATOM 314 N GLU A 21 -30.150 -9.726 -4.087 1.00 43.25 N ATOM 315 CA GLU A 21 -29.948 -10.224 -2.730 1.00 14.45 C ATOM 316 C GLU A 21 -28.562 -10.845 -2.591 1.00 61.52 C ATOM 317 O GLU A 21 -28.350 -11.758 -1.788 1.00 44.12 O ATOM 318 CB GLU A 21 -31.025 -11.246 -2.336 1.00 73.54 C ATOM 319 CG GLU A 21 -31.063 -12.500 -3.201 1.00 25.00 C ATOM 320 CD GLU A 21 -32.071 -12.408 -4.323 1.00 21.25 C ATOM 321 OE1 GLU A 21 -33.256 -12.740 -4.089 1.00 31.02 O ATOM 322 OE2 GLU A 21 -31.694 -12.005 -5.435 1.00 2.14 O ATOM 0 H GLU A 21 -30.198 -10.450 -4.803 1.00 43.25 H new ATOM 0 HA GLU A 21 -30.029 -9.374 -2.053 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.864 -11.542 -1.299 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -32.000 -10.761 -2.381 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -30.073 -12.675 -3.622 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -31.300 -13.360 -2.575 1.00 25.00 H new ATOM 329 N ALA A 22 -27.613 -10.328 -3.355 1.00 13.31 N ATOM 330 CA ALA A 22 -26.271 -10.881 -3.369 1.00 45.34 C ATOM 331 C ALA A 22 -25.250 -9.921 -2.788 1.00 74.40 C ATOM 332 O ALA A 22 -25.306 -8.715 -3.028 1.00 53.45 O ATOM 333 CB ALA A 22 -25.868 -11.238 -4.784 1.00 43.43 C ATOM 0 H ALA A 22 -27.748 -9.527 -3.972 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.288 -11.775 -2.746 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.860 -11.652 -4.782 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.562 -11.977 -5.185 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.892 -10.343 -5.406 1.00 43.43 H new ATOM 339 N GLU A 23 -24.328 -10.464 -2.013 1.00 31.23 N ATOM 340 CA GLU A 23 -23.142 -9.734 -1.610 1.00 5.24 C ATOM 341 C GLU A 23 -21.982 -10.182 -2.486 1.00 11.04 C ATOM 342 O GLU A 23 -21.646 -11.369 -2.530 1.00 5.32 O ATOM 343 CB GLU A 23 -22.833 -9.960 -0.126 1.00 2.23 C ATOM 344 CG GLU A 23 -21.544 -9.295 0.348 1.00 32.11 C ATOM 345 CD GLU A 23 -21.454 -7.826 -0.026 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.376 -7.057 0.312 1.00 74.04 O ATOM 347 OE2 GLU A 23 -20.459 -7.434 -0.674 1.00 2.10 O ATOM 0 H GLU A 23 -24.380 -11.415 -1.649 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.307 -8.664 -1.739 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.665 -9.583 0.469 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -22.767 -11.032 0.062 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -21.470 -9.392 1.431 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.692 -9.824 -0.079 1.00 32.11 H new ATOM 354 N ILE A 24 -21.403 -9.240 -3.210 1.00 13.41 N ATOM 355 CA ILE A 24 -20.356 -9.546 -4.167 1.00 74.24 C ATOM 356 C ILE A 24 -18.986 -9.513 -3.502 1.00 61.32 C ATOM 357 O ILE A 24 -18.492 -8.450 -3.123 1.00 75.31 O ATOM 358 CB ILE A 24 -20.374 -8.534 -5.330 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.804 -8.352 -5.851 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.458 -8.999 -6.450 1.00 42.15 C ATOM 361 CD1 ILE A 24 -21.974 -7.176 -6.790 1.00 33.11 C ATOM 0 H ILE A 24 -21.643 -8.250 -3.152 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.543 -10.548 -4.552 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.011 -7.574 -4.963 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.110 -9.262 -6.367 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.475 -8.225 -5.002 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.481 -8.274 -7.264 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.439 -9.089 -6.073 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.796 -9.968 -6.817 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.013 -7.116 -7.114 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -21.701 -6.256 -6.274 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.330 -7.309 -7.660 1.00 33.11 H new ATOM 373 N THR A 25 -18.374 -10.673 -3.364 1.00 14.02 N ATOM 374 CA THR A 25 -17.034 -10.768 -2.820 1.00 54.43 C ATOM 375 C THR A 25 -16.059 -11.158 -3.922 1.00 60.33 C ATOM 376 O THR A 25 -16.044 -12.299 -4.374 1.00 24.53 O ATOM 377 CB THR A 25 -16.963 -11.805 -1.679 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.961 -11.517 -0.686 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.587 -11.806 -1.029 1.00 30.53 C ATOM 0 H THR A 25 -18.787 -11.569 -3.623 1.00 14.02 H new ATOM 0 HA THR A 25 -16.765 -9.793 -2.413 1.00 54.43 H new ATOM 0 HB THR A 25 -17.148 -12.790 -2.107 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.909 -12.181 0.033 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.563 -12.545 -0.228 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.832 -12.055 -1.775 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.378 -10.819 -0.617 1.00 30.53 H new ATOM 387 N VAL A 26 -15.268 -10.209 -4.379 1.00 74.44 N ATOM 388 CA VAL A 26 -14.314 -10.482 -5.436 1.00 13.43 C ATOM 389 C VAL A 26 -13.007 -11.004 -4.856 1.00 70.34 C ATOM 390 O VAL A 26 -12.442 -10.422 -3.931 1.00 52.34 O ATOM 391 CB VAL A 26 -14.056 -9.239 -6.315 1.00 24.42 C ATOM 392 CG1 VAL A 26 -15.303 -8.901 -7.115 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.629 -8.046 -5.472 1.00 35.24 C ATOM 0 H VAL A 26 -15.266 -9.248 -4.038 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.749 -11.251 -6.075 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.242 -9.471 -7.002 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -15.112 -8.023 -7.732 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -15.565 -9.744 -7.754 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -16.127 -8.693 -6.433 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.455 -7.187 -6.120 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.415 -7.807 -4.755 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.711 -8.289 -4.937 1.00 35.24 H new ATOM 403 N THR A 27 -12.554 -12.129 -5.379 1.00 53.51 N ATOM 404 CA THR A 27 -11.320 -12.735 -4.922 1.00 3.34 C ATOM 405 C THR A 27 -10.251 -12.644 -6.007 1.00 43.20 C ATOM 406 O THR A 27 -10.423 -13.141 -7.130 1.00 52.12 O ATOM 407 CB THR A 27 -11.542 -14.202 -4.475 1.00 60.22 C ATOM 408 OG1 THR A 27 -10.290 -14.864 -4.245 1.00 55.14 O ATOM 409 CG2 THR A 27 -12.350 -14.982 -5.498 1.00 63.14 C ATOM 0 H THR A 27 -13.026 -12.642 -6.124 1.00 53.51 H new ATOM 0 HA THR A 27 -10.972 -12.181 -4.050 1.00 3.34 H new ATOM 0 HB THR A 27 -12.105 -14.169 -3.542 1.00 60.22 H new ATOM 0 HG1 THR A 27 -10.455 -15.788 -3.962 1.00 55.14 H new ATOM 0 HG21 THR A 27 -12.486 -16.006 -5.150 1.00 63.14 H new ATOM 0 HG22 THR A 27 -13.324 -14.511 -5.628 1.00 63.14 H new ATOM 0 HG23 THR A 27 -11.821 -14.989 -6.451 1.00 63.14 H new ATOM 417 N SER A 28 -9.169 -11.965 -5.671 1.00 23.54 N ATOM 418 CA SER A 28 -8.069 -11.762 -6.592 1.00 22.03 C ATOM 419 C SER A 28 -7.004 -12.833 -6.392 1.00 14.30 C ATOM 420 O SER A 28 -6.541 -13.063 -5.271 1.00 32.51 O ATOM 421 CB SER A 28 -7.472 -10.373 -6.369 1.00 23.21 C ATOM 422 OG SER A 28 -8.495 -9.392 -6.315 1.00 51.11 O ATOM 0 H SER A 28 -9.030 -11.540 -4.754 1.00 23.54 H new ATOM 0 HA SER A 28 -8.439 -11.836 -7.615 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.901 -10.362 -5.441 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.776 -10.137 -7.174 1.00 23.21 H new ATOM 0 HG SER A 28 -8.815 -9.203 -7.222 1.00 51.11 H new ATOM 428 N LEU A 29 -6.632 -13.496 -7.475 1.00 60.25 N ATOM 429 CA LEU A 29 -5.603 -14.520 -7.423 1.00 24.55 C ATOM 430 C LEU A 29 -4.232 -13.890 -7.626 1.00 12.10 C ATOM 431 O LEU A 29 -4.113 -12.845 -8.269 1.00 65.12 O ATOM 432 CB LEU A 29 -5.847 -15.605 -8.482 1.00 52.33 C ATOM 433 CG LEU A 29 -7.018 -16.562 -8.207 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.359 -15.855 -8.338 1.00 71.35 C ATOM 435 CD2 LEU A 29 -6.954 -17.753 -9.148 1.00 60.32 C ATOM 0 H LEU A 29 -7.029 -13.342 -8.402 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.641 -14.991 -6.441 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.020 -15.117 -9.441 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -4.937 -16.196 -8.585 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.928 -16.914 -7.179 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.164 -16.562 -8.137 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.409 -15.034 -7.622 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.466 -15.462 -9.349 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -7.789 -18.424 -8.943 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -7.012 -17.405 -10.179 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -6.015 -18.286 -8.997 1.00 60.32 H new ATOM 447 N VAL A 30 -3.206 -14.528 -7.071 1.00 4.40 N ATOM 448 CA VAL A 30 -1.841 -14.024 -7.163 1.00 1.44 C ATOM 449 C VAL A 30 -1.425 -13.816 -8.620 1.00 64.14 C ATOM 450 O VAL A 30 -1.653 -14.675 -9.479 1.00 15.34 O ATOM 451 CB VAL A 30 -0.843 -14.976 -6.458 1.00 71.32 C ATOM 452 CG1 VAL A 30 -0.926 -16.384 -7.029 1.00 52.04 C ATOM 453 CG2 VAL A 30 0.579 -14.441 -6.553 1.00 30.41 C ATOM 0 H VAL A 30 -3.296 -15.400 -6.550 1.00 4.40 H new ATOM 0 HA VAL A 30 -1.818 -13.060 -6.655 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.120 -15.024 -5.405 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -0.214 -17.028 -6.514 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -1.934 -16.774 -6.890 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -0.690 -16.360 -8.093 1.00 52.04 H new ATOM 0 HG21 VAL A 30 1.260 -15.127 -6.050 1.00 30.41 H new ATOM 0 HG22 VAL A 30 0.864 -14.349 -7.601 1.00 30.41 H new ATOM 0 HG23 VAL A 30 0.632 -13.463 -6.076 1.00 30.41 H new ATOM 463 N GLY A 31 -0.838 -12.661 -8.892 1.00 42.32 N ATOM 464 CA GLY A 31 -0.410 -12.345 -10.235 1.00 63.24 C ATOM 465 C GLY A 31 -1.076 -11.095 -10.770 1.00 24.53 C ATOM 466 O GLY A 31 -0.397 -10.198 -11.271 1.00 24.33 O ATOM 0 H GLY A 31 -0.650 -11.934 -8.201 1.00 42.32 H new ATOM 0 HA2 GLY A 31 0.672 -12.212 -10.248 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -0.635 -13.184 -10.893 1.00 63.24 H new ATOM 470 N ASP A 32 -2.405 -11.047 -10.665 1.00 54.21 N ATOM 471 CA ASP A 32 -3.216 -9.915 -11.150 1.00 24.22 C ATOM 472 C ASP A 32 -3.251 -9.832 -12.676 1.00 21.34 C ATOM 473 O ASP A 32 -4.123 -9.176 -13.242 1.00 50.54 O ATOM 474 CB ASP A 32 -2.734 -8.580 -10.572 1.00 33.31 C ATOM 475 CG ASP A 32 -3.346 -8.271 -9.224 1.00 63.05 C ATOM 476 OD1 ASP A 32 -2.763 -8.661 -8.191 1.00 1.50 O ATOM 477 OD2 ASP A 32 -4.411 -7.618 -9.189 1.00 71.24 O ATOM 0 H ASP A 32 -2.957 -11.792 -10.240 1.00 54.21 H new ATOM 0 HA ASP A 32 -4.230 -10.105 -10.798 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -1.648 -8.601 -10.477 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -2.977 -7.778 -11.269 1.00 33.31 H new ATOM 482 N ASN A 33 -2.305 -10.490 -13.338 1.00 11.01 N ATOM 483 CA ASN A 33 -2.266 -10.512 -14.796 1.00 33.31 C ATOM 484 C ASN A 33 -3.446 -11.302 -15.337 1.00 73.15 C ATOM 485 O ASN A 33 -3.963 -11.015 -16.416 1.00 35.41 O ATOM 486 CB ASN A 33 -0.952 -11.122 -15.290 1.00 23.21 C ATOM 487 CG ASN A 33 -0.822 -11.083 -16.802 1.00 63.34 C ATOM 488 OD1 ASN A 33 -1.195 -12.029 -17.499 1.00 61.15 O ATOM 489 ND2 ASN A 33 -0.301 -9.982 -17.317 1.00 30.04 N ATOM 0 H ASN A 33 -1.555 -11.015 -12.888 1.00 11.01 H new ATOM 0 HA ASN A 33 -2.329 -9.487 -15.160 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -0.116 -10.584 -14.843 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -0.885 -12.155 -14.950 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -0.195 -9.892 -18.328 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -0.005 -9.223 -16.704 1.00 30.04 H new ATOM 496 N ASN A 34 -3.871 -12.292 -14.566 1.00 61.41 N ATOM 497 CA ASN A 34 -5.036 -13.088 -14.913 1.00 4.13 C ATOM 498 C ASN A 34 -6.303 -12.361 -14.489 1.00 1.44 C ATOM 499 O ASN A 34 -6.242 -11.244 -13.971 1.00 40.12 O ATOM 500 CB ASN A 34 -4.973 -14.465 -14.240 1.00 53.13 C ATOM 501 CG ASN A 34 -3.805 -15.307 -14.722 1.00 60.20 C ATOM 502 OD1 ASN A 34 -3.373 -15.196 -15.871 1.00 22.32 O ATOM 503 ND2 ASN A 34 -3.291 -16.159 -13.848 1.00 24.41 N ATOM 0 H ASN A 34 -3.422 -12.563 -13.691 1.00 61.41 H new ATOM 0 HA ASN A 34 -5.047 -13.233 -15.993 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.898 -14.333 -13.161 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -5.903 -15.000 -14.432 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -2.508 -16.755 -14.116 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -3.678 -16.220 -12.906 1.00 24.41 H new ATOM 510 N HIS A 35 -7.449 -12.983 -14.703 1.00 11.54 N ATOM 511 CA HIS A 35 -8.715 -12.379 -14.311 1.00 21.41 C ATOM 512 C HIS A 35 -9.037 -12.709 -12.857 1.00 54.15 C ATOM 513 O HIS A 35 -8.347 -13.512 -12.228 1.00 54.44 O ATOM 514 CB HIS A 35 -9.852 -12.836 -15.231 1.00 25.33 C ATOM 515 CG HIS A 35 -9.851 -12.156 -16.565 1.00 13.33 C ATOM 516 ND1 HIS A 35 -10.805 -11.233 -16.931 1.00 35.21 N ATOM 517 CD2 HIS A 35 -9.014 -12.266 -17.620 1.00 50.13 C ATOM 518 CE1 HIS A 35 -10.553 -10.804 -18.152 1.00 24.43 C ATOM 519 NE2 HIS A 35 -9.470 -11.413 -18.595 1.00 23.03 N ATOM 0 H HIS A 35 -7.532 -13.900 -15.143 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.617 -11.298 -14.408 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -9.777 -13.913 -15.381 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -10.806 -12.649 -14.737 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -8.147 -12.906 -17.685 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -11.135 -10.076 -18.698 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -9.042 -11.273 -19.510 1.00 23.03 H new ATOM 528 N TYR A 36 -10.083 -12.089 -12.333 1.00 43.33 N ATOM 529 CA TYR A 36 -10.457 -12.264 -10.938 1.00 71.31 C ATOM 530 C TYR A 36 -11.665 -13.183 -10.832 1.00 40.50 C ATOM 531 O TYR A 36 -12.356 -13.415 -11.819 1.00 24.43 O ATOM 532 CB TYR A 36 -10.776 -10.908 -10.303 1.00 22.12 C ATOM 533 CG TYR A 36 -9.695 -9.867 -10.506 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.574 -9.835 -9.692 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.799 -8.919 -11.518 1.00 43.30 C ATOM 536 CE1 TYR A 36 -7.587 -8.886 -9.875 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.817 -7.968 -11.709 1.00 62.54 C ATOM 538 CZ TYR A 36 -7.714 -7.955 -10.886 1.00 1.54 C ATOM 539 OH TYR A 36 -6.732 -7.009 -11.072 1.00 12.31 O ATOM 0 H TYR A 36 -10.690 -11.458 -12.855 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.620 -12.715 -10.405 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.711 -10.533 -10.720 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.937 -11.047 -9.234 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -8.470 -10.564 -8.902 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -10.663 -8.927 -12.166 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -6.721 -8.873 -9.230 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -8.914 -7.239 -12.500 1.00 62.54 H new ATOM 0 HH TYR A 36 -5.974 -7.204 -10.482 1.00 12.31 H new ATOM 549 N SER A 37 -11.920 -13.707 -9.645 1.00 2.23 N ATOM 550 CA SER A 37 -13.054 -14.586 -9.441 1.00 21.11 C ATOM 551 C SER A 37 -14.124 -13.883 -8.614 1.00 62.15 C ATOM 552 O SER A 37 -13.815 -13.085 -7.726 1.00 50.13 O ATOM 553 CB SER A 37 -12.606 -15.878 -8.758 1.00 62.23 C ATOM 554 OG SER A 37 -11.589 -16.517 -9.511 1.00 63.00 O ATOM 0 H SER A 37 -11.357 -13.538 -8.811 1.00 2.23 H new ATOM 0 HA SER A 37 -13.481 -14.840 -10.411 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.239 -15.657 -7.756 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.457 -16.549 -8.645 1.00 62.23 H new ATOM 0 HG SER A 37 -11.314 -17.341 -9.057 1.00 63.00 H new ATOM 560 N ILE A 38 -15.377 -14.174 -8.915 1.00 34.53 N ATOM 561 CA ILE A 38 -16.487 -13.537 -8.232 1.00 12.35 C ATOM 562 C ILE A 38 -17.174 -14.507 -7.282 1.00 21.51 C ATOM 563 O ILE A 38 -17.754 -15.512 -7.700 1.00 24.12 O ATOM 564 CB ILE A 38 -17.516 -12.955 -9.226 1.00 73.40 C ATOM 565 CG1 ILE A 38 -17.930 -14.003 -10.268 1.00 24.33 C ATOM 566 CG2 ILE A 38 -16.940 -11.722 -9.904 1.00 23.22 C ATOM 567 CD1 ILE A 38 -18.998 -13.523 -11.225 1.00 24.22 C ATOM 0 H ILE A 38 -15.651 -14.849 -9.629 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.071 -12.712 -7.654 1.00 12.35 H new ATOM 0 HB ILE A 38 -18.409 -12.668 -8.671 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -17.051 -14.301 -10.839 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -18.291 -14.892 -9.752 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -17.671 -11.317 -10.604 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.703 -10.970 -9.151 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -16.033 -11.994 -10.444 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -19.238 -14.318 -11.931 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -19.893 -13.252 -10.665 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -18.634 -12.652 -11.770 1.00 24.22 H new ATOM 579 N LYS A 39 -17.079 -14.215 -5.998 1.00 62.41 N ATOM 580 CA LYS A 39 -17.761 -15.004 -4.994 1.00 70.34 C ATOM 581 C LYS A 39 -19.064 -14.310 -4.633 1.00 25.51 C ATOM 582 O LYS A 39 -19.068 -13.262 -3.986 1.00 73.43 O ATOM 583 CB LYS A 39 -16.869 -15.171 -3.761 1.00 35.52 C ATOM 584 CG LYS A 39 -17.297 -16.292 -2.830 1.00 1.32 C ATOM 585 CD LYS A 39 -16.323 -16.442 -1.672 1.00 0.22 C ATOM 586 CE LYS A 39 -16.564 -17.725 -0.896 1.00 64.33 C ATOM 587 NZ LYS A 39 -17.939 -17.794 -0.339 1.00 52.43 N ATOM 0 H LYS A 39 -16.535 -13.436 -5.627 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.980 -15.998 -5.383 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.846 -15.357 -4.089 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.860 -14.234 -3.204 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.296 -16.088 -2.445 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.354 -17.228 -3.385 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -15.302 -16.434 -2.053 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -16.421 -15.588 -1.002 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -16.396 -18.580 -1.550 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.841 -17.798 -0.084 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -18.240 -18.788 -0.280 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -17.950 -17.372 0.612 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -18.591 -17.271 -0.958 1.00 52.43 H new ATOM 601 N VAL A 40 -20.164 -14.891 -5.062 1.00 63.22 N ATOM 602 CA VAL A 40 -21.464 -14.268 -4.897 1.00 35.24 C ATOM 603 C VAL A 40 -22.252 -14.955 -3.792 1.00 33.00 C ATOM 604 O VAL A 40 -22.573 -16.142 -3.881 1.00 4.22 O ATOM 605 CB VAL A 40 -22.273 -14.300 -6.212 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.614 -13.599 -6.046 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.479 -13.673 -7.347 1.00 42.04 C ATOM 0 H VAL A 40 -20.186 -15.797 -5.530 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.295 -13.227 -4.621 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.466 -15.343 -6.462 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.163 -13.636 -6.987 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.192 -14.099 -5.269 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.449 -12.559 -5.763 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.067 -13.706 -8.264 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.249 -12.637 -7.101 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.551 -14.227 -7.491 1.00 42.04 H new ATOM 617 N ILE A 41 -22.544 -14.210 -2.739 1.00 54.23 N ATOM 618 CA ILE A 41 -23.321 -14.738 -1.633 1.00 33.03 C ATOM 619 C ILE A 41 -24.793 -14.396 -1.813 1.00 40.43 C ATOM 620 O ILE A 41 -25.190 -13.237 -1.705 1.00 0.12 O ATOM 621 CB ILE A 41 -22.818 -14.205 -0.272 1.00 63.32 C ATOM 622 CG1 ILE A 41 -21.374 -14.657 -0.035 1.00 72.31 C ATOM 623 CG2 ILE A 41 -23.718 -14.679 0.865 1.00 50.41 C ATOM 624 CD1 ILE A 41 -21.196 -16.164 -0.062 1.00 73.31 C ATOM 0 H ILE A 41 -22.254 -13.238 -2.628 1.00 54.23 H new ATOM 0 HA ILE A 41 -23.198 -15.821 -1.633 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.850 -13.116 -0.294 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.733 -14.210 -0.795 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -21.037 -14.277 0.929 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -23.343 -14.291 1.812 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -24.733 -14.317 0.701 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -23.722 -15.769 0.896 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -20.149 -16.410 0.113 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -21.810 -16.617 0.716 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -21.501 -16.549 -1.035 1.00 73.31 H new ATOM 636 N SER A 42 -25.590 -15.404 -2.128 1.00 20.34 N ATOM 637 CA SER A 42 -27.020 -15.224 -2.296 1.00 24.41 C ATOM 638 C SER A 42 -27.768 -16.375 -1.640 1.00 53.10 C ATOM 639 O SER A 42 -27.298 -17.515 -1.647 1.00 71.22 O ATOM 640 CB SER A 42 -27.372 -15.153 -3.783 1.00 15.34 C ATOM 641 OG SER A 42 -26.565 -14.205 -4.450 1.00 44.11 O ATOM 0 H SER A 42 -25.267 -16.361 -2.273 1.00 20.34 H new ATOM 0 HA SER A 42 -27.316 -14.289 -1.820 1.00 24.41 H new ATOM 0 HB2 SER A 42 -27.239 -16.134 -4.239 1.00 15.34 H new ATOM 0 HB3 SER A 42 -28.423 -14.887 -3.899 1.00 15.34 H new ATOM 0 HG SER A 42 -26.808 -14.179 -5.399 1.00 44.11 H new ATOM 647 N SER A 43 -28.936 -16.073 -1.085 1.00 30.43 N ATOM 648 CA SER A 43 -29.756 -17.068 -0.404 1.00 73.12 C ATOM 649 C SER A 43 -30.143 -18.211 -1.347 1.00 23.01 C ATOM 650 O SER A 43 -30.376 -19.335 -0.911 1.00 1.22 O ATOM 651 CB SER A 43 -31.010 -16.391 0.145 1.00 14.53 C ATOM 652 OG SER A 43 -30.689 -15.145 0.745 1.00 21.44 O ATOM 0 H SER A 43 -29.340 -15.136 -1.094 1.00 30.43 H new ATOM 0 HA SER A 43 -29.177 -17.497 0.414 1.00 73.12 H new ATOM 0 HB2 SER A 43 -31.728 -16.237 -0.661 1.00 14.53 H new ATOM 0 HB3 SER A 43 -31.488 -17.040 0.878 1.00 14.53 H new ATOM 0 HG SER A 43 -31.506 -14.727 1.089 1.00 21.44 H new ATOM 658 N GLN A 44 -30.172 -17.921 -2.646 1.00 22.21 N ATOM 659 CA GLN A 44 -30.579 -18.904 -3.643 1.00 35.52 C ATOM 660 C GLN A 44 -29.473 -19.930 -3.906 1.00 53.44 C ATOM 661 O GLN A 44 -29.715 -20.959 -4.530 1.00 5.22 O ATOM 662 CB GLN A 44 -30.961 -18.208 -4.955 1.00 53.01 C ATOM 663 CG GLN A 44 -29.794 -17.518 -5.646 1.00 53.14 C ATOM 664 CD GLN A 44 -30.176 -16.890 -6.972 1.00 12.44 C ATOM 665 OE1 GLN A 44 -31.398 -16.391 -7.072 1.00 4.51 O flip ATOM 666 NE2 GLN A 44 -29.369 -16.835 -7.895 1.00 42.54 N flip ATOM 0 H GLN A 44 -29.918 -17.011 -3.031 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.446 -19.432 -3.247 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -31.390 -18.944 -5.635 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.738 -17.471 -4.752 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -29.394 -16.747 -4.987 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -28.997 -18.243 -5.810 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -28.436 -17.231 -7.781 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -29.631 -16.394 -8.776 1.00 42.54 H new ATOM 675 N PHE A 45 -28.263 -19.648 -3.436 1.00 2.34 N ATOM 676 CA PHE A 45 -27.132 -20.537 -3.676 1.00 54.05 C ATOM 677 C PHE A 45 -26.788 -21.352 -2.432 1.00 52.21 C ATOM 678 O PHE A 45 -25.935 -22.241 -2.478 1.00 54.32 O ATOM 679 CB PHE A 45 -25.899 -19.741 -4.111 1.00 21.10 C ATOM 680 CG PHE A 45 -26.027 -19.063 -5.446 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.238 -19.804 -6.596 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.910 -17.686 -5.550 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.326 -19.185 -7.829 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.003 -17.060 -6.780 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.210 -17.811 -7.921 1.00 32.51 C ATOM 0 H PHE A 45 -28.041 -18.816 -2.890 1.00 2.34 H new ATOM 0 HA PHE A 45 -27.425 -21.220 -4.473 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.686 -18.986 -3.354 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.042 -20.413 -4.141 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.335 -20.878 -6.529 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.744 -17.095 -4.661 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.485 -19.775 -8.720 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.914 -15.986 -6.848 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.281 -17.325 -8.883 1.00 32.51 H new ATOM 695 N GLN A 46 -27.447 -21.044 -1.321 1.00 72.45 N ATOM 696 CA GLN A 46 -27.148 -21.701 -0.054 1.00 75.13 C ATOM 697 C GLN A 46 -27.631 -23.148 -0.060 1.00 33.34 C ATOM 698 O GLN A 46 -28.824 -23.418 -0.173 1.00 13.13 O ATOM 699 CB GLN A 46 -27.786 -20.939 1.111 1.00 64.41 C ATOM 700 CG GLN A 46 -27.560 -21.599 2.465 1.00 21.44 C ATOM 701 CD GLN A 46 -28.102 -20.776 3.617 1.00 44.02 C ATOM 702 OE1 GLN A 46 -27.389 -19.961 4.201 1.00 34.13 O ATOM 703 NE2 GLN A 46 -29.368 -20.977 3.946 1.00 64.01 N ATOM 0 H GLN A 46 -28.189 -20.346 -1.271 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.066 -21.701 0.075 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -27.382 -19.927 1.137 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.858 -20.850 0.933 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -28.035 -22.580 2.470 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -26.492 -21.762 2.611 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -29.925 -21.663 3.436 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -29.787 -20.446 4.710 1.00 64.01 H new ATOM 712 N GLY A 47 -26.683 -24.071 0.049 1.00 61.23 N ATOM 713 CA GLY A 47 -27.017 -25.481 0.106 1.00 30.52 C ATOM 714 C GLY A 47 -27.242 -26.088 -1.267 1.00 5.25 C ATOM 715 O GLY A 47 -27.846 -27.153 -1.387 1.00 33.03 O ATOM 0 H GLY A 47 -25.685 -23.867 0.099 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -26.214 -26.020 0.609 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -27.916 -25.613 0.708 1.00 30.52 H new ATOM 719 N LYS A 48 -26.760 -25.415 -2.302 1.00 74.22 N ATOM 720 CA LYS A 48 -26.909 -25.908 -3.668 1.00 25.13 C ATOM 721 C LYS A 48 -25.674 -26.673 -4.120 1.00 55.24 C ATOM 722 O LYS A 48 -24.541 -26.281 -3.829 1.00 42.13 O ATOM 723 CB LYS A 48 -27.194 -24.755 -4.636 1.00 2.30 C ATOM 724 CG LYS A 48 -28.675 -24.505 -4.882 1.00 31.41 C ATOM 725 CD LYS A 48 -29.420 -24.162 -3.603 1.00 43.32 C ATOM 726 CE LYS A 48 -30.918 -24.066 -3.839 1.00 50.32 C ATOM 727 NZ LYS A 48 -31.478 -25.325 -4.403 1.00 10.22 N ATOM 0 H LYS A 48 -26.263 -24.528 -2.225 1.00 74.22 H new ATOM 0 HA LYS A 48 -27.757 -26.593 -3.676 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -26.743 -23.844 -4.243 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -26.708 -24.966 -5.589 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -28.790 -23.690 -5.597 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -29.121 -25.391 -5.334 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -29.218 -24.922 -2.848 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -29.051 -23.215 -3.209 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -31.419 -23.836 -2.898 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -31.125 -23.241 -4.520 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -31.775 -25.163 -5.386 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -30.752 -26.069 -4.379 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -32.299 -25.624 -3.838 1.00 10.22 H new ATOM 741 N SER A 49 -25.908 -27.769 -4.829 1.00 13.41 N ATOM 742 CA SER A 49 -24.833 -28.575 -5.390 1.00 51.51 C ATOM 743 C SER A 49 -24.376 -27.981 -6.725 1.00 12.24 C ATOM 744 O SER A 49 -25.009 -27.057 -7.239 1.00 74.40 O ATOM 745 CB SER A 49 -25.308 -30.015 -5.580 1.00 73.24 C ATOM 746 OG SER A 49 -25.770 -30.577 -4.360 1.00 23.44 O ATOM 0 H SER A 49 -26.843 -28.123 -5.031 1.00 13.41 H new ATOM 0 HA SER A 49 -23.988 -28.574 -4.702 1.00 51.51 H new ATOM 0 HB2 SER A 49 -26.108 -30.040 -6.319 1.00 73.24 H new ATOM 0 HB3 SER A 49 -24.491 -30.620 -5.974 1.00 73.24 H new ATOM 0 HG SER A 49 -26.068 -31.497 -4.516 1.00 23.44 H new ATOM 752 N LYS A 50 -23.296 -28.514 -7.299 1.00 4.42 N ATOM 753 CA LYS A 50 -22.747 -27.953 -8.532 1.00 71.43 C ATOM 754 C LYS A 50 -23.707 -28.083 -9.695 1.00 23.45 C ATOM 755 O LYS A 50 -23.717 -27.235 -10.581 1.00 32.41 O ATOM 756 CB LYS A 50 -21.410 -28.584 -8.918 1.00 4.10 C ATOM 757 CG LYS A 50 -21.366 -30.102 -8.852 1.00 64.11 C ATOM 758 CD LYS A 50 -19.995 -30.616 -9.258 1.00 23.40 C ATOM 759 CE LYS A 50 -19.927 -32.133 -9.249 1.00 14.31 C ATOM 760 NZ LYS A 50 -18.548 -32.614 -9.510 1.00 52.11 N ATOM 0 H LYS A 50 -22.791 -29.322 -6.935 1.00 4.42 H new ATOM 0 HA LYS A 50 -22.586 -26.896 -8.320 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -21.160 -28.273 -9.932 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -20.636 -28.185 -8.262 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -21.600 -30.434 -7.841 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -22.127 -30.522 -9.510 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -19.751 -30.249 -10.255 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -19.243 -30.216 -8.578 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.269 -32.508 -8.284 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -20.603 -32.534 -10.004 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -18.535 -33.654 -9.497 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -18.233 -32.275 -10.441 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -17.909 -32.251 -8.775 1.00 52.11 H new ATOM 774 N LEU A 51 -24.504 -29.135 -9.705 1.00 35.35 N ATOM 775 CA LEU A 51 -25.475 -29.317 -10.768 1.00 23.42 C ATOM 776 C LEU A 51 -26.471 -28.153 -10.747 1.00 5.20 C ATOM 777 O LEU A 51 -26.758 -27.529 -11.778 1.00 63.51 O ATOM 778 CB LEU A 51 -26.181 -30.676 -10.605 1.00 12.31 C ATOM 779 CG LEU A 51 -27.176 -31.090 -11.705 1.00 32.31 C ATOM 780 CD1 LEU A 51 -28.518 -30.397 -11.531 1.00 43.12 C ATOM 781 CD2 LEU A 51 -26.608 -30.805 -13.089 1.00 32.51 C ATOM 0 H LEU A 51 -24.499 -29.870 -8.997 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.975 -29.320 -11.737 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -25.415 -31.448 -10.535 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.713 -30.668 -9.654 1.00 12.31 H new ATOM 0 HG LEU A 51 -27.337 -32.164 -11.611 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -29.196 -30.712 -12.324 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -28.943 -30.664 -10.563 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -28.379 -29.317 -11.580 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -27.330 -31.106 -13.848 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -26.404 -29.739 -13.186 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -25.683 -31.366 -13.225 1.00 32.51 H new ATOM 793 N GLU A 52 -26.964 -27.853 -9.552 1.00 71.20 N ATOM 794 CA GLU A 52 -27.872 -26.737 -9.347 1.00 3.31 C ATOM 795 C GLU A 52 -27.178 -25.427 -9.704 1.00 30.12 C ATOM 796 O GLU A 52 -27.765 -24.558 -10.346 1.00 1.51 O ATOM 797 CB GLU A 52 -28.342 -26.707 -7.895 1.00 30.33 C ATOM 798 CG GLU A 52 -28.970 -28.011 -7.437 1.00 23.32 C ATOM 799 CD GLU A 52 -29.398 -27.970 -5.987 1.00 25.24 C ATOM 800 OE1 GLU A 52 -28.551 -28.225 -5.106 1.00 61.13 O ATOM 801 OE2 GLU A 52 -30.579 -27.678 -5.719 1.00 33.02 O ATOM 0 H GLU A 52 -26.746 -28.375 -8.703 1.00 71.20 H new ATOM 0 HA GLU A 52 -28.740 -26.862 -9.995 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -27.494 -26.475 -7.251 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -29.065 -25.901 -7.772 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -29.835 -28.233 -8.062 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -28.257 -28.823 -7.579 1.00 23.32 H new ATOM 808 N GLN A 53 -25.916 -25.305 -9.292 1.00 12.11 N ATOM 809 CA GLN A 53 -25.102 -24.150 -9.645 1.00 42.34 C ATOM 810 C GLN A 53 -25.002 -24.012 -11.160 1.00 43.01 C ATOM 811 O GLN A 53 -25.172 -22.924 -11.698 1.00 50.30 O ATOM 812 CB GLN A 53 -23.700 -24.263 -9.043 1.00 43.04 C ATOM 813 CG GLN A 53 -23.668 -24.146 -7.528 1.00 62.32 C ATOM 814 CD GLN A 53 -24.226 -22.830 -7.033 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.160 -21.814 -7.720 1.00 70.33 O ATOM 816 NE2 GLN A 53 -24.769 -22.839 -5.827 1.00 33.33 N ATOM 0 H GLN A 53 -25.438 -25.995 -8.713 1.00 12.11 H new ATOM 0 HA GLN A 53 -25.585 -23.263 -9.236 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -23.267 -25.221 -9.333 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -23.068 -23.485 -9.471 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -24.240 -24.965 -7.092 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -22.640 -24.254 -7.181 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -24.803 -23.705 -5.290 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.153 -21.980 -5.434 1.00 33.33 H new ATOM 825 N HIS A 54 -24.739 -25.127 -11.841 1.00 11.40 N ATOM 826 CA HIS A 54 -24.659 -25.132 -13.301 1.00 50.22 C ATOM 827 C HIS A 54 -25.928 -24.558 -13.902 1.00 75.33 C ATOM 828 O HIS A 54 -25.869 -23.636 -14.715 1.00 22.05 O ATOM 829 CB HIS A 54 -24.425 -26.546 -13.841 1.00 60.03 C ATOM 830 CG HIS A 54 -23.049 -27.077 -13.589 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.789 -28.399 -13.311 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.846 -26.454 -13.584 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.493 -28.565 -13.141 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.894 -27.402 -13.305 1.00 73.11 N ATOM 0 H HIS A 54 -24.578 -26.036 -11.407 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.811 -24.510 -13.588 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -25.152 -27.221 -13.389 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -24.613 -26.549 -14.915 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.669 -25.404 -13.766 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -21.003 -29.498 -12.906 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.890 -27.235 -13.236 1.00 73.11 H new ATOM 843 N ARG A 55 -27.073 -25.090 -13.487 1.00 60.31 N ATOM 844 CA ARG A 55 -28.361 -24.590 -13.964 1.00 40.14 C ATOM 845 C ARG A 55 -28.485 -23.089 -13.726 1.00 43.34 C ATOM 846 O ARG A 55 -28.724 -22.315 -14.657 1.00 3.25 O ATOM 847 CB ARG A 55 -29.516 -25.306 -13.265 1.00 52.11 C ATOM 848 CG ARG A 55 -29.704 -26.748 -13.693 1.00 35.13 C ATOM 849 CD ARG A 55 -30.863 -27.396 -12.955 1.00 61.41 C ATOM 850 NE ARG A 55 -31.115 -28.761 -13.414 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.791 -29.673 -12.717 1.00 14.23 C ATOM 852 NH1 ARG A 55 -32.282 -29.372 -11.522 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.973 -30.889 -13.218 1.00 52.14 N ATOM 0 H ARG A 55 -27.137 -25.863 -12.825 1.00 60.31 H new ATOM 0 HA ARG A 55 -28.411 -24.788 -15.035 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.348 -25.277 -12.188 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -30.438 -24.758 -13.458 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -29.885 -26.790 -14.767 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.789 -27.309 -13.502 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.650 -27.407 -11.886 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -31.762 -26.796 -13.095 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.750 -29.033 -14.327 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -32.143 -28.439 -11.134 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -32.799 -30.073 -10.992 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.595 -31.124 -14.136 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -32.490 -31.588 -12.685 1.00 52.14 H new ATOM 867 N MET A 56 -28.287 -22.687 -12.477 1.00 5.13 N ATOM 868 CA MET A 56 -28.485 -21.300 -12.078 1.00 13.24 C ATOM 869 C MET A 56 -27.548 -20.367 -12.831 1.00 73.24 C ATOM 870 O MET A 56 -27.997 -19.410 -13.458 1.00 12.14 O ATOM 871 CB MET A 56 -28.284 -21.134 -10.570 1.00 12.34 C ATOM 872 CG MET A 56 -29.290 -21.901 -9.728 1.00 75.15 C ATOM 873 SD MET A 56 -30.992 -21.398 -10.045 1.00 61.02 S ATOM 874 CE MET A 56 -30.920 -19.667 -9.586 1.00 11.14 C ATOM 0 H MET A 56 -27.989 -23.304 -11.721 1.00 5.13 H new ATOM 0 HA MET A 56 -29.511 -21.032 -12.330 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.279 -21.464 -10.309 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.347 -20.075 -10.319 1.00 12.34 H new ATOM 0 HG2 MET A 56 -29.187 -22.967 -9.929 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.062 -21.752 -8.672 1.00 75.15 H new ATOM 0 HE1 MET A 56 -31.928 -19.298 -9.400 1.00 11.14 H new ATOM 0 HE2 MET A 56 -30.320 -19.555 -8.683 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.468 -19.094 -10.396 1.00 11.14 H new ATOM 884 N ILE A 57 -26.254 -20.659 -12.782 1.00 55.45 N ATOM 885 CA ILE A 57 -25.247 -19.797 -13.393 1.00 13.21 C ATOM 886 C ILE A 57 -25.458 -19.683 -14.900 1.00 34.43 C ATOM 887 O ILE A 57 -25.484 -18.581 -15.444 1.00 62.10 O ATOM 888 CB ILE A 57 -23.814 -20.301 -13.111 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.559 -20.359 -11.600 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.783 -19.410 -13.793 1.00 32.31 C ATOM 891 CD1 ILE A 57 -23.890 -19.072 -10.872 1.00 2.10 C ATOM 0 H ILE A 57 -25.875 -21.488 -12.324 1.00 55.45 H new ATOM 0 HA ILE A 57 -25.363 -18.812 -12.941 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.717 -21.307 -13.520 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.150 -21.169 -11.173 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -22.511 -20.603 -11.427 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.781 -19.784 -13.581 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.952 -19.417 -14.870 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.877 -18.391 -13.417 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -23.683 -19.192 -9.809 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -23.280 -18.261 -11.271 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -24.945 -18.836 -11.012 1.00 2.10 H new ATOM 903 N TYR A 58 -25.633 -20.816 -15.571 1.00 15.22 N ATOM 904 CA TYR A 58 -25.775 -20.805 -17.023 1.00 4.35 C ATOM 905 C TYR A 58 -27.085 -20.153 -17.455 1.00 73.40 C ATOM 906 O TYR A 58 -27.147 -19.528 -18.512 1.00 43.54 O ATOM 907 CB TYR A 58 -25.663 -22.218 -17.602 1.00 3.41 C ATOM 908 CG TYR A 58 -24.257 -22.780 -17.555 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.195 -22.083 -18.116 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.992 -24.008 -16.960 1.00 0.24 C ATOM 911 CE1 TYR A 58 -21.910 -22.593 -18.088 1.00 75.23 C ATOM 912 CE2 TYR A 58 -22.711 -24.523 -16.925 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.673 -23.810 -17.490 1.00 54.23 C ATOM 914 OH TYR A 58 -20.392 -24.321 -17.457 1.00 40.03 O ATOM 0 H TYR A 58 -25.680 -21.740 -15.142 1.00 15.22 H new ATOM 0 HA TYR A 58 -24.956 -20.206 -17.421 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -26.330 -22.882 -17.051 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -26.007 -22.207 -18.636 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -23.376 -21.126 -18.582 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -24.802 -24.569 -16.517 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -21.096 -22.039 -18.533 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -22.523 -25.478 -16.458 1.00 44.13 H new ATOM 0 HH TYR A 58 -20.397 -25.187 -16.998 1.00 40.03 H new ATOM 924 N LYS A 59 -28.130 -20.289 -16.648 1.00 73.42 N ATOM 925 CA LYS A 59 -29.409 -19.677 -16.988 1.00 51.11 C ATOM 926 C LYS A 59 -29.457 -18.192 -16.637 1.00 44.10 C ATOM 927 O LYS A 59 -30.124 -17.418 -17.324 1.00 22.41 O ATOM 928 CB LYS A 59 -30.571 -20.419 -16.326 1.00 13.12 C ATOM 929 CG LYS A 59 -31.026 -21.627 -17.126 1.00 73.15 C ATOM 930 CD LYS A 59 -31.612 -21.203 -18.467 1.00 61.04 C ATOM 931 CE LYS A 59 -31.693 -22.366 -19.445 1.00 2.45 C ATOM 932 NZ LYS A 59 -30.343 -22.878 -19.802 1.00 73.34 N ATOM 0 H LYS A 59 -28.120 -20.807 -15.770 1.00 73.42 H new ATOM 0 HA LYS A 59 -29.513 -19.759 -18.070 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -30.270 -20.741 -15.329 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -31.410 -19.734 -16.201 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.183 -22.298 -17.289 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -31.772 -22.184 -16.559 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -32.608 -20.788 -18.313 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.000 -20.410 -18.896 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -32.283 -23.170 -19.006 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.212 -22.046 -20.349 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -30.393 -23.385 -20.709 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -29.681 -22.081 -19.887 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -30.010 -23.527 -19.060 1.00 73.34 H new ATOM 946 N VAL A 60 -28.761 -17.784 -15.582 1.00 40.42 N ATOM 947 CA VAL A 60 -28.765 -16.379 -15.186 1.00 13.04 C ATOM 948 C VAL A 60 -27.784 -15.570 -16.037 1.00 62.12 C ATOM 949 O VAL A 60 -28.007 -14.387 -16.304 1.00 21.20 O ATOM 950 CB VAL A 60 -28.445 -16.190 -13.681 1.00 40.25 C ATOM 951 CG1 VAL A 60 -26.981 -16.478 -13.376 1.00 54.03 C ATOM 952 CG2 VAL A 60 -28.830 -14.789 -13.229 1.00 74.32 C ATOM 0 H VAL A 60 -28.195 -18.394 -14.993 1.00 40.42 H new ATOM 0 HA VAL A 60 -29.776 -16.008 -15.356 1.00 13.04 H new ATOM 0 HB VAL A 60 -29.039 -16.912 -13.120 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -26.796 -16.335 -12.311 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -26.748 -17.507 -13.649 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -26.350 -15.799 -13.949 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -28.599 -14.672 -12.170 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -28.269 -14.054 -13.806 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -29.898 -14.636 -13.387 1.00 74.32 H new ATOM 962 N LEU A 61 -26.705 -16.210 -16.474 1.00 32.20 N ATOM 963 CA LEU A 61 -25.743 -15.563 -17.354 1.00 23.13 C ATOM 964 C LEU A 61 -26.178 -15.711 -18.805 1.00 43.05 C ATOM 965 O LEU A 61 -25.643 -15.040 -19.690 1.00 70.44 O ATOM 966 CB LEU A 61 -24.346 -16.157 -17.153 1.00 21.35 C ATOM 967 CG LEU A 61 -23.717 -15.885 -15.785 1.00 63.31 C ATOM 968 CD1 LEU A 61 -22.317 -16.473 -15.721 1.00 14.42 C ATOM 969 CD2 LEU A 61 -23.678 -14.390 -15.500 1.00 52.20 C ATOM 0 H LEU A 61 -26.476 -17.174 -16.233 1.00 32.20 H new ATOM 0 HA LEU A 61 -25.704 -14.502 -17.106 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -24.401 -17.235 -17.302 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -23.685 -15.762 -17.925 1.00 21.35 H new ATOM 0 HG LEU A 61 -24.331 -16.364 -15.022 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -21.882 -16.272 -14.742 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -22.367 -17.550 -15.881 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -21.696 -16.020 -16.494 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -23.227 -14.218 -14.523 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -23.086 -13.889 -16.266 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -24.693 -13.992 -15.507 1.00 52.20 H new ATOM 981 N ASP A 62 -27.151 -16.603 -19.023 1.00 51.31 N ATOM 982 CA ASP A 62 -27.756 -16.849 -20.342 1.00 11.45 C ATOM 983 C ASP A 62 -26.821 -17.614 -21.264 1.00 35.13 C ATOM 984 O ASP A 62 -27.157 -18.689 -21.767 1.00 45.22 O ATOM 985 CB ASP A 62 -28.211 -15.541 -21.015 1.00 14.42 C ATOM 986 CG ASP A 62 -29.392 -14.887 -20.320 1.00 30.25 C ATOM 987 OD1 ASP A 62 -30.548 -15.285 -20.593 1.00 64.21 O ATOM 988 OD2 ASP A 62 -29.178 -13.956 -19.514 1.00 3.33 O ATOM 0 H ASP A 62 -27.546 -17.182 -18.282 1.00 51.31 H new ATOM 0 HA ASP A 62 -28.636 -17.467 -20.164 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -27.376 -14.841 -21.034 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -28.477 -15.747 -22.052 1.00 14.42 H new ATOM 993 N GLY A 63 -25.655 -17.060 -21.457 1.00 4.15 N ATOM 994 CA GLY A 63 -24.691 -17.620 -22.364 1.00 43.43 C ATOM 995 C GLY A 63 -23.748 -18.575 -21.676 1.00 33.13 C ATOM 996 O GLY A 63 -22.934 -18.175 -20.845 1.00 43.24 O ATOM 0 H GLY A 63 -25.347 -16.207 -20.990 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -25.211 -18.142 -23.168 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -24.118 -16.815 -22.825 1.00 43.43 H new ATOM 1000 N LEU A 64 -23.862 -19.840 -22.029 1.00 51.34 N ATOM 1001 CA LEU A 64 -22.987 -20.879 -21.497 1.00 3.45 C ATOM 1002 C LEU A 64 -21.617 -20.839 -22.186 1.00 42.35 C ATOM 1003 O LEU A 64 -20.750 -21.670 -21.918 1.00 0.34 O ATOM 1004 CB LEU A 64 -23.621 -22.274 -21.654 1.00 54.54 C ATOM 1005 CG LEU A 64 -23.835 -22.771 -23.093 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -24.081 -24.272 -23.094 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -25.010 -22.061 -23.753 1.00 63.23 C ATOM 0 H LEU A 64 -24.560 -20.181 -22.690 1.00 51.34 H new ATOM 0 HA LEU A 64 -22.850 -20.685 -20.433 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -22.991 -22.996 -21.134 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -24.586 -22.269 -21.147 1.00 54.54 H new ATOM 0 HG LEU A 64 -22.933 -22.547 -23.663 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -24.232 -24.615 -24.117 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -23.220 -24.782 -22.663 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -24.969 -24.496 -22.502 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -25.136 -22.434 -24.769 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -25.918 -22.252 -23.181 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -24.818 -20.988 -23.781 1.00 63.23 H new ATOM 1019 N ASN A 65 -21.438 -19.865 -23.072 1.00 64.21 N ATOM 1020 CA ASN A 65 -20.179 -19.669 -23.785 1.00 60.20 C ATOM 1021 C ASN A 65 -19.117 -19.060 -22.867 1.00 64.31 C ATOM 1022 O ASN A 65 -17.919 -19.121 -23.155 1.00 34.35 O ATOM 1023 CB ASN A 65 -20.414 -18.763 -24.998 1.00 11.43 C ATOM 1024 CG ASN A 65 -19.153 -18.481 -25.791 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.475 -17.477 -25.572 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -18.827 -19.368 -26.712 1.00 54.41 N ATOM 0 H ASN A 65 -22.161 -19.189 -23.317 1.00 64.21 H new ATOM 0 HA ASN A 65 -19.814 -20.639 -24.122 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -21.150 -19.229 -25.653 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -20.841 -17.819 -24.660 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -17.986 -19.235 -27.273 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -19.416 -20.187 -26.862 1.00 54.41 H new ATOM 1033 N ILE A 66 -19.569 -18.473 -21.763 1.00 12.30 N ATOM 1034 CA ILE A 66 -18.671 -17.837 -20.805 1.00 41.44 C ATOM 1035 C ILE A 66 -17.704 -18.858 -20.198 1.00 2.50 C ATOM 1036 O ILE A 66 -18.048 -20.029 -20.026 1.00 31.11 O ATOM 1037 CB ILE A 66 -19.467 -17.125 -19.678 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -18.519 -16.361 -18.742 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -20.305 -18.129 -18.895 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -19.227 -15.577 -17.654 1.00 65.41 C ATOM 0 H ILE A 66 -20.556 -18.425 -21.509 1.00 12.30 H new ATOM 0 HA ILE A 66 -18.093 -17.088 -21.346 1.00 41.44 H new ATOM 0 HB ILE A 66 -20.142 -16.404 -20.140 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -17.834 -17.070 -18.277 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -17.914 -15.675 -19.335 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -20.855 -17.610 -18.110 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -21.009 -18.619 -19.568 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -19.651 -18.877 -18.446 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -18.489 -15.066 -17.035 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -19.891 -14.842 -18.109 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -19.810 -16.259 -17.035 1.00 65.41 H new ATOM 1052 N HIS A 67 -16.486 -18.405 -19.892 1.00 15.31 N ATOM 1053 CA HIS A 67 -15.459 -19.261 -19.294 1.00 41.12 C ATOM 1054 C HIS A 67 -15.975 -19.969 -18.036 1.00 13.15 C ATOM 1055 O HIS A 67 -15.608 -21.113 -17.775 1.00 11.25 O ATOM 1056 CB HIS A 67 -14.180 -18.457 -18.992 1.00 61.24 C ATOM 1057 CG HIS A 67 -14.392 -17.205 -18.187 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -14.722 -15.995 -18.755 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -14.293 -16.977 -16.859 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -14.812 -15.078 -17.813 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -14.557 -15.644 -16.647 1.00 5.34 N ATOM 0 H HIS A 67 -16.186 -17.443 -20.050 1.00 15.31 H new ATOM 0 HA HIS A 67 -15.210 -20.033 -20.022 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.482 -19.101 -18.457 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -13.706 -18.188 -19.936 1.00 61.24 H new ATOM 0 HD1 HIS A 67 -14.873 -15.833 -19.751 1.00 61.32 H new ATOM 0 HD2 HIS A 67 -14.051 -17.708 -16.102 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -15.054 -14.037 -17.968 1.00 43.30 H new ATOM 1070 N ALA A 68 -16.802 -19.263 -17.256 1.00 1.04 N ATOM 1071 CA ALA A 68 -17.569 -19.848 -16.140 1.00 21.21 C ATOM 1072 C ALA A 68 -16.719 -20.269 -14.933 1.00 64.03 C ATOM 1073 O ALA A 68 -17.193 -20.218 -13.806 1.00 11.40 O ATOM 1074 CB ALA A 68 -18.400 -21.030 -16.627 1.00 11.23 C ATOM 0 H ALA A 68 -16.962 -18.263 -17.379 1.00 1.04 H new ATOM 0 HA ALA A 68 -18.217 -19.047 -15.785 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -18.960 -21.450 -15.791 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -19.095 -20.694 -17.397 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -17.740 -21.792 -17.042 1.00 11.23 H new ATOM 1080 N ILE A 69 -15.473 -20.667 -15.157 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.626 -21.231 -14.093 1.00 0.05 C ATOM 1082 C ILE A 69 -14.145 -20.160 -13.090 1.00 34.51 C ATOM 1083 O ILE A 69 -13.151 -20.338 -12.386 1.00 0.24 O ATOM 1084 CB ILE A 69 -13.414 -21.984 -14.711 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -12.696 -22.844 -13.656 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -12.446 -21.004 -15.362 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -11.505 -23.612 -14.194 1.00 43.35 C ATOM 0 H ILE A 69 -15.017 -20.613 -16.068 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.240 -21.936 -13.533 1.00 0.05 H new ATOM 0 HB ILE A 69 -13.794 -22.653 -15.483 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -12.363 -22.200 -12.843 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -13.409 -23.550 -13.231 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -11.605 -21.552 -15.788 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -12.960 -20.456 -16.152 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -12.080 -20.302 -14.613 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -11.054 -24.193 -13.390 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -11.833 -24.284 -14.987 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -10.770 -22.912 -14.592 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.876 -19.062 -12.993 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.524 -17.998 -12.065 1.00 45.13 C ATOM 1101 C GLN A 70 -15.721 -17.607 -11.207 1.00 54.23 C ATOM 1102 O GLN A 70 -15.727 -16.551 -10.575 1.00 20.23 O ATOM 1103 CB GLN A 70 -13.984 -16.785 -12.822 1.00 3.32 C ATOM 1104 CG GLN A 70 -12.668 -17.061 -13.531 1.00 45.50 C ATOM 1105 CD GLN A 70 -12.090 -15.842 -14.218 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -10.772 -15.796 -14.308 1.00 41.12 O flip ATOM 1107 NE2 GLN A 70 -12.819 -14.957 -14.670 1.00 43.43 N flip ATOM 0 H GLN A 70 -15.716 -18.883 -13.544 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.741 -18.368 -11.403 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -14.724 -16.463 -13.555 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.847 -15.960 -12.123 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -11.946 -17.438 -12.807 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -12.820 -17.848 -14.270 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -13.832 -15.034 -14.578 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -12.409 -14.148 -15.136 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.725 -18.472 -11.178 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.898 -18.253 -10.343 1.00 32.34 C ATOM 1118 C ILE A 71 -17.755 -19.029 -9.035 1.00 21.45 C ATOM 1119 O ILE A 71 -17.489 -20.231 -9.043 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.210 -18.678 -11.065 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.442 -18.427 -10.184 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.163 -20.143 -11.485 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.977 -17.010 -10.247 1.00 61.50 C ATOM 0 H ILE A 71 -16.751 -19.333 -11.724 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.962 -17.185 -10.136 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.294 -18.062 -11.960 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.233 -19.115 -10.482 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.188 -18.661 -9.150 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.094 -20.408 -11.986 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.327 -20.300 -12.166 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.035 -20.770 -10.603 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.846 -16.920 -9.596 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.204 -16.314 -9.919 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.265 -16.775 -11.272 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.875 -18.335 -7.916 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.900 -18.994 -6.623 1.00 11.31 C ATOM 1137 C GLN A 72 -19.173 -18.623 -5.883 1.00 41.51 C ATOM 1138 O GLN A 72 -19.333 -17.496 -5.422 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.668 -18.633 -5.788 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.373 -19.229 -6.321 1.00 75.12 C ATOM 1141 CD GLN A 72 -14.231 -19.127 -5.326 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -13.466 -18.162 -5.329 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.123 -20.122 -4.459 1.00 23.21 N ATOM 0 H GLN A 72 -17.956 -17.319 -7.877 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.881 -20.071 -6.787 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.570 -17.548 -5.751 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.821 -18.975 -4.764 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.537 -20.276 -6.575 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.094 -18.718 -7.242 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.779 -20.902 -4.493 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -13.383 -20.109 -3.757 1.00 23.21 H new ATOM 1152 N THR A 73 -20.075 -19.577 -5.778 1.00 51.10 N ATOM 1153 CA THR A 73 -21.365 -19.349 -5.168 1.00 71.51 C ATOM 1154 C THR A 73 -21.720 -20.489 -4.226 1.00 31.34 C ATOM 1155 O THR A 73 -21.419 -21.649 -4.509 1.00 0.24 O ATOM 1156 CB THR A 73 -22.449 -19.209 -6.252 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.173 -20.112 -7.329 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.509 -17.793 -6.786 1.00 60.22 C ATOM 0 H THR A 73 -19.933 -20.530 -6.113 1.00 51.10 H new ATOM 0 HA THR A 73 -21.314 -18.424 -4.594 1.00 71.51 H new ATOM 0 HB THR A 73 -23.412 -19.449 -5.802 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.935 -20.716 -7.453 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.284 -17.725 -7.550 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.741 -17.107 -5.972 1.00 60.22 H new ATOM 0 HG23 THR A 73 -21.546 -17.527 -7.221 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.327 -20.160 -3.096 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.745 -21.188 -2.172 1.00 10.41 C ATOM 1168 C GLY A 74 -22.530 -20.804 -0.726 1.00 15.25 C ATOM 1169 O GLY A 74 -22.825 -19.680 -0.323 1.00 44.31 O ATOM 0 H GLY A 74 -22.536 -19.205 -2.805 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.801 -21.405 -2.332 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.196 -22.105 -2.384 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.984 -21.737 0.042 1.00 41.31 N ATOM 1174 CA CYS A 75 -21.867 -21.584 1.485 1.00 31.41 C ATOM 1175 C CYS A 75 -20.441 -21.213 1.897 1.00 22.14 C ATOM 1176 O CYS A 75 -19.471 -21.596 1.239 1.00 42.21 O ATOM 1177 CB CYS A 75 -22.302 -22.889 2.164 1.00 54.21 C ATOM 1178 SG CYS A 75 -22.087 -22.920 3.957 1.00 1.04 S ATOM 0 H CYS A 75 -21.612 -22.617 -0.316 1.00 41.31 H new ATOM 0 HA CYS A 75 -22.516 -20.769 1.804 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -23.353 -23.068 1.935 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -21.736 -23.714 1.730 1.00 54.21 H new ATOM 0 HG CYS A 75 -22.488 -24.066 4.422 1.00 1.04 H new ATOM 1184 N LYS A 76 -20.328 -20.446 2.977 1.00 72.44 N ATOM 1185 CA LYS A 76 -19.037 -20.079 3.545 1.00 24.13 C ATOM 1186 C LYS A 76 -19.221 -19.653 4.998 1.00 65.44 C ATOM 1187 O LYS A 76 -19.621 -18.494 5.229 1.00 51.21 O ATOM 1188 CB LYS A 76 -18.384 -18.947 2.745 1.00 54.32 C ATOM 1189 CG LYS A 76 -17.006 -18.543 3.257 1.00 62.33 C ATOM 1190 CD LYS A 76 -16.027 -19.701 3.181 1.00 31.01 C ATOM 1191 CE LYS A 76 -14.677 -19.342 3.782 1.00 51.33 C ATOM 1192 NZ LYS A 76 -13.723 -20.478 3.709 1.00 72.41 N ATOM 1193 OXT LYS A 76 -18.980 -20.481 5.899 1.00 0.00 O ATOM 0 H LYS A 76 -21.127 -20.063 3.481 1.00 72.44 H new ATOM 0 HA LYS A 76 -18.380 -20.947 3.499 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -18.298 -19.255 1.703 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -19.039 -18.076 2.767 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -16.629 -17.706 2.670 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -17.086 -18.199 4.288 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -16.441 -20.562 3.706 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -15.894 -19.997 2.140 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -14.261 -18.483 3.255 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -14.809 -19.044 4.822 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -12.814 -20.196 4.128 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -14.109 -21.289 4.233 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -13.577 -20.746 2.715 1.00 72.41 H new TER 1207 LYS A 76