USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 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 58 TYR OH : rot -18:sc= 0.179 USER MOD Set 1.2: A 67 HIS : no HE2:sc= 0.164 K(o=0.34,f=-0.17) USER MOD Set 2.1: A 53 GLN : amide:sc= 0 K(o=0.082,f=-1.4!) USER MOD Set 2.2: A 73 THR OG1 : rot 33:sc= 0.0823 USER MOD Set 3.1: A 42 SER OG : rot 75:sc= 0.268 USER MOD Set 3.2: A 44 GLN : amide:sc= -0.417 X(o=-0.15,f=0.23) USER MOD Set 4.1: A 27 THR OG1 : rot 120:sc=-0.00164 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -108:sc= -1.15 (180deg=-3.49!) USER MOD Set 5.1: A 34 ASN : amide:sc= 0.141 K(o=-1.2,f=-2.2) USER MOD Set 5.2: A 35 HIS :FLIP no HE2:sc= -0.129 F(o=-2,f=-1.2) USER MOD Set 5.3: A 70 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.2) USER MOD Set 6.1: A 33 ASN : amide:sc= 0.136 X(o=0.28,f=-0.099) USER MOD Set 6.2: A 36 TYR OH : rot 171:sc= 0.142 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.42) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0842 K(o=-0.084,f=-0.72) USER MOD Single : A 17 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 SER OG : rot 40:sc= 0.101 USER MOD Single : A 37 SER OG : rot -130:sc= -0.205 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.184 K(o=-0.18,f=-7.1!) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 0.979 (180deg=-0.128!) 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 :FLIP no HD1:sc= -0.424 F(o=-1,f=-0.42) USER MOD Single : A 56 MET CE :methyl 165:sc= -3.82! (180deg=-4.63!) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= -1.18 (180deg=-3.62!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0238 F(o=-1.2!,f=-0.024) USER MOD Single : A 72 GLN : amide:sc= -0.0423 K(o=-0.042,f=-0.77) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.532 10.132 -5.746 1.00 72.44 N ATOM 2 CA PRO A 1 -0.383 10.021 -6.899 1.00 63.23 C ATOM 3 C PRO A 1 -1.636 9.255 -6.510 1.00 50.34 C ATOM 4 O PRO A 1 -1.678 8.614 -5.460 1.00 54.34 O ATOM 5 CB PRO A 1 0.338 9.309 -8.034 1.00 35.02 C ATOM 6 CG PRO A 1 1.714 9.096 -7.504 1.00 24.21 C ATOM 7 CD PRO A 1 1.604 9.155 -5.997 1.00 63.42 C ATOM 0 H2 PRO A 1 0.047 9.928 -4.872 1.00 72.44 H new ATOM 0 H3 PRO A 1 0.908 11.077 -5.666 1.00 72.44 H new ATOM 0 HA PRO A 1 -0.682 11.018 -7.223 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -0.145 8.364 -8.284 1.00 35.02 H new ATOM 0 HB3 PRO A 1 0.348 9.912 -8.942 1.00 35.02 H new ATOM 0 HG2 PRO A 1 2.110 8.133 -7.827 1.00 24.21 H new ATOM 0 HG3 PRO A 1 2.396 9.862 -7.874 1.00 24.21 H new ATOM 0 HD2 PRO A 1 1.358 8.179 -5.578 1.00 63.42 H new ATOM 0 HD3 PRO A 1 2.543 9.470 -5.542 1.00 63.42 H new ATOM 17 N GLY A 2 -2.654 9.324 -7.352 1.00 35.53 N ATOM 18 CA GLY A 2 -3.874 8.593 -7.089 1.00 24.52 C ATOM 19 C GLY A 2 -3.743 7.135 -7.467 1.00 1.40 C ATOM 20 O GLY A 2 -3.498 6.813 -8.632 1.00 22.44 O ATOM 0 H GLY A 2 -2.657 9.872 -8.212 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -4.126 8.674 -6.032 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -4.695 9.042 -7.648 1.00 24.52 H new ATOM 24 N SER A 3 -3.871 6.257 -6.484 1.00 10.13 N ATOM 25 CA SER A 3 -3.795 4.827 -6.725 1.00 12.40 C ATOM 26 C SER A 3 -5.052 4.349 -7.441 1.00 50.22 C ATOM 27 O SER A 3 -6.067 4.052 -6.810 1.00 24.11 O ATOM 28 CB SER A 3 -3.616 4.074 -5.406 1.00 44.31 C ATOM 29 OG SER A 3 -2.506 4.575 -4.678 1.00 54.01 O ATOM 0 H SER A 3 -4.028 6.512 -5.509 1.00 10.13 H new ATOM 0 HA SER A 3 -2.932 4.624 -7.359 1.00 12.40 H new ATOM 0 HB2 SER A 3 -4.521 4.167 -4.805 1.00 44.31 H new ATOM 0 HB3 SER A 3 -3.474 3.012 -5.606 1.00 44.31 H new ATOM 0 HG SER A 3 -2.414 4.078 -3.838 1.00 54.01 H new ATOM 35 N MET A 4 -4.987 4.312 -8.765 1.00 64.30 N ATOM 36 CA MET A 4 -6.119 3.898 -9.576 1.00 73.21 C ATOM 37 C MET A 4 -6.264 2.377 -9.586 1.00 42.35 C ATOM 38 O MET A 4 -5.846 1.698 -10.525 1.00 54.24 O ATOM 39 CB MET A 4 -6.002 4.451 -11.004 1.00 72.52 C ATOM 40 CG MET A 4 -4.662 4.176 -11.677 1.00 21.33 C ATOM 41 SD MET A 4 -4.570 4.844 -13.350 1.00 14.12 S ATOM 42 CE MET A 4 -2.911 4.350 -13.814 1.00 12.30 C ATOM 0 H MET A 4 -4.157 4.566 -9.301 1.00 64.30 H new ATOM 0 HA MET A 4 -7.021 4.314 -9.127 1.00 73.21 H new ATOM 0 HB2 MET A 4 -6.796 4.020 -11.614 1.00 72.52 H new ATOM 0 HB3 MET A 4 -6.168 5.528 -10.978 1.00 72.52 H new ATOM 0 HG2 MET A 4 -3.863 4.607 -11.074 1.00 21.33 H new ATOM 0 HG3 MET A 4 -4.491 3.100 -11.710 1.00 21.33 H new ATOM 0 HE1 MET A 4 -2.700 4.690 -14.828 1.00 12.30 H new ATOM 0 HE2 MET A 4 -2.193 4.795 -13.125 1.00 12.30 H new ATOM 0 HE3 MET A 4 -2.830 3.264 -13.772 1.00 12.30 H new ATOM 52 N THR A 5 -6.823 1.847 -8.512 1.00 5.32 N ATOM 53 CA THR A 5 -7.124 0.434 -8.426 1.00 22.53 C ATOM 54 C THR A 5 -8.519 0.156 -8.979 1.00 65.22 C ATOM 55 O THR A 5 -9.525 0.555 -8.391 1.00 62.04 O ATOM 56 CB THR A 5 -7.018 -0.056 -6.970 1.00 42.10 C ATOM 57 OG1 THR A 5 -7.514 0.954 -6.079 1.00 71.41 O ATOM 58 CG2 THR A 5 -5.579 -0.389 -6.614 1.00 53.01 C ATOM 0 H THR A 5 -7.078 2.382 -7.682 1.00 5.32 H new ATOM 0 HA THR A 5 -6.395 -0.111 -9.025 1.00 22.53 H new ATOM 0 HB THR A 5 -7.618 -0.960 -6.868 1.00 42.10 H new ATOM 0 HG1 THR A 5 -7.446 0.637 -5.154 1.00 71.41 H new ATOM 0 HG21 THR A 5 -5.530 -0.733 -5.581 1.00 53.01 H new ATOM 0 HG22 THR A 5 -5.213 -1.174 -7.275 1.00 53.01 H new ATOM 0 HG23 THR A 5 -4.960 0.501 -6.730 1.00 53.01 H new ATOM 66 N VAL A 6 -8.572 -0.502 -10.128 1.00 4.20 N ATOM 67 CA VAL A 6 -9.839 -0.770 -10.792 1.00 13.52 C ATOM 68 C VAL A 6 -10.433 -2.097 -10.338 1.00 40.55 C ATOM 69 O VAL A 6 -9.715 -2.997 -9.895 1.00 4.41 O ATOM 70 CB VAL A 6 -9.689 -0.779 -12.329 1.00 75.41 C ATOM 71 CG1 VAL A 6 -9.275 0.595 -12.836 1.00 44.14 C ATOM 72 CG2 VAL A 6 -8.685 -1.838 -12.774 1.00 12.15 C ATOM 0 H VAL A 6 -7.753 -0.860 -10.619 1.00 4.20 H new ATOM 0 HA VAL A 6 -10.513 0.039 -10.511 1.00 13.52 H new ATOM 0 HB VAL A 6 -10.658 -1.029 -12.760 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -9.175 0.567 -13.921 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -10.033 1.328 -12.560 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -8.320 0.875 -12.390 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -8.598 -1.823 -13.860 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -7.712 -1.627 -12.329 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -9.026 -2.821 -12.451 1.00 12.15 H new ATOM 82 N THR A 7 -11.745 -2.194 -10.418 1.00 31.41 N ATOM 83 CA THR A 7 -12.445 -3.420 -10.089 1.00 35.31 C ATOM 84 C THR A 7 -13.084 -4.004 -11.342 1.00 31.42 C ATOM 85 O THR A 7 -13.125 -3.347 -12.385 1.00 72.04 O ATOM 86 CB THR A 7 -13.534 -3.173 -9.028 1.00 54.51 C ATOM 87 OG1 THR A 7 -14.443 -2.152 -9.472 1.00 5.41 O ATOM 88 CG2 THR A 7 -12.914 -2.761 -7.700 1.00 10.33 C ATOM 0 H THR A 7 -12.353 -1.430 -10.711 1.00 31.41 H new ATOM 0 HA THR A 7 -11.718 -4.123 -9.682 1.00 35.31 H new ATOM 0 HB THR A 7 -14.081 -4.105 -8.886 1.00 54.51 H new ATOM 0 HG1 THR A 7 -15.131 -2.007 -8.789 1.00 5.41 H new ATOM 0 HG21 THR A 7 -13.703 -2.592 -6.967 1.00 10.33 H new ATOM 0 HG22 THR A 7 -12.253 -3.552 -7.346 1.00 10.33 H new ATOM 0 HG23 THR A 7 -12.342 -1.843 -7.835 1.00 10.33 H new ATOM 96 N GLN A 8 -13.578 -5.230 -11.249 1.00 3.23 N ATOM 97 CA GLN A 8 -14.354 -5.806 -12.334 1.00 50.02 C ATOM 98 C GLN A 8 -15.770 -5.252 -12.255 1.00 1.14 C ATOM 99 O GLN A 8 -16.706 -5.941 -11.844 1.00 72.35 O ATOM 100 CB GLN A 8 -14.356 -7.337 -12.259 1.00 43.14 C ATOM 101 CG GLN A 8 -12.960 -7.939 -12.207 1.00 33.25 C ATOM 102 CD GLN A 8 -12.972 -9.453 -12.271 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.880 -10.042 -13.345 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.096 -10.095 -11.121 1.00 54.35 N ATOM 0 H GLN A 8 -13.456 -5.840 -10.440 1.00 3.23 H new ATOM 0 HA GLN A 8 -13.906 -5.537 -13.290 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.912 -7.650 -11.375 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -14.884 -7.736 -13.125 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -12.370 -7.549 -13.036 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -12.466 -7.622 -11.288 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -13.170 -9.570 -10.249 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.118 -11.115 -11.106 1.00 54.35 H new ATOM 113 N SER A 9 -15.900 -3.983 -12.622 1.00 52.14 N ATOM 114 CA SER A 9 -17.112 -3.224 -12.377 1.00 2.52 C ATOM 115 C SER A 9 -18.306 -3.808 -13.118 1.00 0.31 C ATOM 116 O SER A 9 -19.396 -3.895 -12.556 1.00 54.11 O ATOM 117 CB SER A 9 -16.909 -1.759 -12.769 1.00 33.54 C ATOM 118 OG SER A 9 -17.953 -0.953 -12.256 1.00 75.12 O ATOM 0 H SER A 9 -15.168 -3.455 -13.097 1.00 52.14 H new ATOM 0 HA SER A 9 -17.327 -3.283 -11.310 1.00 2.52 H new ATOM 0 HB2 SER A 9 -15.950 -1.406 -12.389 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.874 -1.670 -13.855 1.00 33.54 H new ATOM 0 HG SER A 9 -17.804 -0.020 -12.516 1.00 75.12 H new ATOM 124 N GLN A 10 -18.102 -4.222 -14.365 1.00 65.43 N ATOM 125 CA GLN A 10 -19.197 -4.775 -15.155 1.00 50.30 C ATOM 126 C GLN A 10 -19.743 -6.027 -14.482 1.00 24.22 C ATOM 127 O GLN A 10 -20.952 -6.209 -14.374 1.00 13.03 O ATOM 128 CB GLN A 10 -18.743 -5.111 -16.580 1.00 3.51 C ATOM 129 CG GLN A 10 -18.070 -3.958 -17.307 1.00 31.21 C ATOM 130 CD GLN A 10 -18.919 -2.701 -17.360 1.00 30.13 C ATOM 131 OE1 GLN A 10 -20.151 -2.755 -17.363 1.00 43.14 O ATOM 132 NE2 GLN A 10 -18.254 -1.563 -17.410 1.00 21.05 N ATOM 0 H GLN A 10 -17.203 -4.186 -14.845 1.00 65.43 H new ATOM 0 HA GLN A 10 -19.981 -4.020 -15.216 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.053 -5.953 -16.540 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -19.608 -5.435 -17.158 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -17.125 -3.729 -16.814 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -17.831 -4.269 -18.324 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -17.234 -1.568 -17.405 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -18.760 -0.678 -17.453 1.00 21.05 H new ATOM 141 N LEU A 11 -18.835 -6.871 -14.000 1.00 1.21 N ATOM 142 CA LEU A 11 -19.205 -8.109 -13.327 1.00 12.41 C ATOM 143 C LEU A 11 -19.905 -7.809 -12.004 1.00 54.11 C ATOM 144 O LEU A 11 -20.945 -8.391 -11.692 1.00 71.13 O ATOM 145 CB LEU A 11 -17.967 -8.986 -13.067 1.00 53.43 C ATOM 146 CG LEU A 11 -17.297 -9.603 -14.304 1.00 4.24 C ATOM 147 CD1 LEU A 11 -16.608 -8.543 -15.150 1.00 55.21 C ATOM 148 CD2 LEU A 11 -16.302 -10.672 -13.881 1.00 61.15 C ATOM 0 H LEU A 11 -17.829 -6.716 -14.065 1.00 1.21 H new ATOM 0 HA LEU A 11 -19.888 -8.652 -13.980 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.226 -8.384 -12.541 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.256 -9.795 -12.395 1.00 53.43 H new ATOM 0 HG LEU A 11 -18.075 -10.061 -14.915 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -16.144 -9.014 -16.017 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -17.343 -7.810 -15.485 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -15.843 -8.044 -14.556 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -15.833 -11.103 -14.766 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -15.537 -10.226 -13.245 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -16.822 -11.455 -13.328 1.00 61.15 H new ATOM 160 N GLU A 12 -19.327 -6.890 -11.239 1.00 14.13 N ATOM 161 CA GLU A 12 -19.878 -6.490 -9.954 1.00 13.33 C ATOM 162 C GLU A 12 -21.278 -5.917 -10.120 1.00 23.45 C ATOM 163 O GLU A 12 -22.230 -6.377 -9.488 1.00 35.24 O ATOM 164 CB GLU A 12 -18.966 -5.450 -9.312 1.00 72.23 C ATOM 165 CG GLU A 12 -19.370 -5.068 -7.898 1.00 2.41 C ATOM 166 CD GLU A 12 -18.482 -3.991 -7.312 1.00 74.31 C ATOM 167 OE1 GLU A 12 -18.711 -2.798 -7.607 1.00 23.41 O ATOM 168 OE2 GLU A 12 -17.557 -4.330 -6.547 1.00 33.12 O ATOM 0 H GLU A 12 -18.467 -6.404 -11.493 1.00 14.13 H new ATOM 0 HA GLU A 12 -19.942 -7.369 -9.313 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -17.946 -5.835 -9.297 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -18.959 -4.554 -9.932 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -20.403 -4.721 -7.900 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -19.332 -5.952 -7.261 1.00 2.41 H new ATOM 175 N LEU A 13 -21.388 -4.919 -10.985 1.00 24.43 N ATOM 176 CA LEU A 13 -22.657 -4.269 -11.268 1.00 1.43 C ATOM 177 C LEU A 13 -23.670 -5.273 -11.804 1.00 31.21 C ATOM 178 O LEU A 13 -24.849 -5.229 -11.445 1.00 4.34 O ATOM 179 CB LEU A 13 -22.431 -3.118 -12.261 1.00 73.45 C ATOM 180 CG LEU A 13 -23.682 -2.555 -12.937 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.587 -1.042 -13.057 1.00 44.11 C ATOM 182 CD2 LEU A 13 -23.854 -3.174 -14.317 1.00 50.21 C ATOM 0 H LEU A 13 -20.600 -4.538 -11.509 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.065 -3.858 -10.345 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -21.930 -2.305 -11.735 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -21.748 -3.464 -13.037 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.548 -2.803 -12.324 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.485 -0.658 -13.540 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.494 -0.603 -12.064 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -22.714 -0.778 -13.653 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -24.748 -2.766 -14.790 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -22.982 -2.944 -14.930 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -23.955 -4.255 -14.221 1.00 50.21 H new ATOM 194 N LEU A 14 -23.202 -6.196 -12.633 1.00 72.01 N ATOM 195 CA LEU A 14 -24.086 -7.180 -13.244 1.00 3.52 C ATOM 196 C LEU A 14 -24.712 -8.075 -12.181 1.00 71.02 C ATOM 197 O LEU A 14 -25.930 -8.240 -12.137 1.00 70.32 O ATOM 198 CB LEU A 14 -23.328 -8.031 -14.265 1.00 33.20 C ATOM 199 CG LEU A 14 -24.192 -9.010 -15.063 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.254 -8.262 -15.857 1.00 54.01 C ATOM 201 CD2 LEU A 14 -23.323 -9.844 -15.992 1.00 11.21 C ATOM 0 H LEU A 14 -22.221 -6.284 -12.897 1.00 72.01 H new ATOM 0 HA LEU A 14 -24.881 -6.642 -13.761 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -22.820 -7.366 -14.964 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -22.555 -8.595 -13.743 1.00 33.20 H new ATOM 0 HG LEU A 14 -24.694 -9.678 -14.363 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.858 -8.975 -16.418 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -25.893 -7.703 -15.173 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -24.772 -7.572 -16.549 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -23.951 -10.536 -16.553 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -22.797 -9.187 -16.685 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -22.598 -10.407 -15.404 1.00 11.21 H new ATOM 213 N ILE A 15 -23.875 -8.629 -11.314 1.00 13.25 N ATOM 214 CA ILE A 15 -24.343 -9.532 -10.270 1.00 24.23 C ATOM 215 C ILE A 15 -25.168 -8.786 -9.222 1.00 61.32 C ATOM 216 O ILE A 15 -26.194 -9.286 -8.761 1.00 75.31 O ATOM 217 CB ILE A 15 -23.163 -10.258 -9.585 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.404 -11.122 -10.601 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.647 -11.108 -8.412 1.00 52.02 C ATOM 220 CD1 ILE A 15 -23.253 -12.203 -11.239 1.00 63.52 C ATOM 0 H ILE A 15 -22.868 -8.469 -11.313 1.00 13.25 H new ATOM 0 HA ILE A 15 -24.978 -10.276 -10.751 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.482 -9.503 -9.193 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.003 -10.478 -11.384 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -21.553 -11.587 -10.104 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.796 -11.607 -7.949 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.137 -10.469 -7.677 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.354 -11.855 -8.772 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -22.648 -12.772 -11.945 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -23.633 -12.871 -10.466 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -24.090 -11.745 -11.766 1.00 63.52 H new ATOM 232 N ARG A 16 -24.732 -7.583 -8.868 1.00 32.24 N ATOM 233 CA ARG A 16 -25.400 -6.803 -7.831 1.00 15.30 C ATOM 234 C ARG A 16 -26.782 -6.337 -8.291 1.00 74.23 C ATOM 235 O ARG A 16 -27.712 -6.252 -7.489 1.00 15.23 O ATOM 236 CB ARG A 16 -24.540 -5.600 -7.426 1.00 23.14 C ATOM 237 CG ARG A 16 -25.056 -4.854 -6.203 1.00 71.35 C ATOM 238 CD ARG A 16 -25.090 -5.748 -4.969 1.00 63.11 C ATOM 239 NE ARG A 16 -25.484 -5.004 -3.773 1.00 73.55 N ATOM 240 CZ ARG A 16 -25.438 -5.488 -2.530 1.00 72.42 C ATOM 241 NH1 ARG A 16 -25.053 -6.735 -2.302 1.00 4.32 N ATOM 242 NH2 ARG A 16 -25.783 -4.715 -1.511 1.00 75.13 N ATOM 0 H ARG A 16 -23.920 -7.126 -9.283 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.534 -7.448 -6.963 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.524 -5.943 -7.228 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.485 -4.907 -8.265 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.420 -3.990 -6.009 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.058 -4.474 -6.405 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.788 -6.569 -5.133 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.107 -6.192 -4.814 1.00 63.11 H new ATOM 0 HE ARG A 16 -25.817 -4.048 -3.898 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.787 -7.337 -3.081 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -25.022 -7.093 -1.347 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -26.082 -3.754 -1.678 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -25.749 -5.081 -0.559 1.00 75.13 H new ATOM 256 N ASN A 17 -26.919 -6.039 -9.578 1.00 21.01 N ATOM 257 CA ASN A 17 -28.210 -5.625 -10.118 1.00 71.44 C ATOM 258 C ASN A 17 -29.113 -6.829 -10.345 1.00 24.13 C ATOM 259 O ASN A 17 -30.313 -6.770 -10.077 1.00 64.41 O ATOM 260 CB ASN A 17 -28.055 -4.839 -11.424 1.00 22.11 C ATOM 261 CG ASN A 17 -27.480 -3.452 -11.211 1.00 54.33 C ATOM 262 OD1 ASN A 17 -27.613 -2.864 -10.136 1.00 70.12 O ATOM 263 ND2 ASN A 17 -26.861 -2.904 -12.244 1.00 64.22 N ATOM 0 H ASN A 17 -26.162 -6.075 -10.261 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.669 -4.968 -9.379 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.408 -5.395 -12.103 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.028 -4.754 -11.909 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -26.474 -1.963 -12.166 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.771 -3.422 -13.118 1.00 64.22 H new ATOM 270 N ALA A 18 -28.532 -7.921 -10.838 1.00 24.13 N ATOM 271 CA ALA A 18 -29.290 -9.143 -11.079 1.00 52.44 C ATOM 272 C ALA A 18 -29.777 -9.743 -9.766 1.00 63.32 C ATOM 273 O ALA A 18 -30.935 -10.143 -9.647 1.00 53.11 O ATOM 274 CB ALA A 18 -28.447 -10.153 -11.842 1.00 44.34 C ATOM 0 H ALA A 18 -27.542 -7.983 -11.077 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.160 -8.890 -11.685 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.030 -11.058 -12.012 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.148 -9.728 -12.800 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.558 -10.398 -11.261 1.00 44.34 H new ATOM 280 N PHE A 19 -28.891 -9.802 -8.781 1.00 32.44 N ATOM 281 CA PHE A 19 -29.245 -10.319 -7.471 1.00 64.45 C ATOM 282 C PHE A 19 -28.918 -9.295 -6.390 1.00 11.13 C ATOM 283 O PHE A 19 -27.802 -9.260 -5.873 1.00 74.13 O ATOM 284 CB PHE A 19 -28.509 -11.633 -7.177 1.00 5.30 C ATOM 285 CG PHE A 19 -28.820 -12.744 -8.138 1.00 32.32 C ATOM 286 CD1 PHE A 19 -29.993 -13.472 -8.020 1.00 44.11 C ATOM 287 CD2 PHE A 19 -27.935 -13.066 -9.154 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.279 -14.498 -8.900 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.214 -14.090 -10.038 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.388 -14.808 -9.910 1.00 4.25 C ATOM 0 H PHE A 19 -27.921 -9.497 -8.867 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.317 -10.515 -7.469 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.435 -11.446 -7.192 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.762 -11.960 -6.168 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.692 -13.235 -7.231 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.015 -12.509 -9.256 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.198 -15.057 -8.799 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.517 -14.329 -10.827 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.609 -15.610 -10.598 1.00 4.25 H new ATOM 300 N PRO A 20 -29.890 -8.441 -6.032 1.00 74.32 N ATOM 301 CA PRO A 20 -29.714 -7.442 -4.972 1.00 62.04 C ATOM 302 C PRO A 20 -29.622 -8.094 -3.595 1.00 53.13 C ATOM 303 O PRO A 20 -29.295 -7.447 -2.598 1.00 3.14 O ATOM 304 CB PRO A 20 -30.973 -6.581 -5.082 1.00 73.25 C ATOM 305 CG PRO A 20 -31.991 -7.472 -5.708 1.00 43.34 C ATOM 306 CD PRO A 20 -31.232 -8.373 -6.639 1.00 54.10 C ATOM 0 HA PRO A 20 -28.791 -6.873 -5.085 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.301 -6.233 -4.102 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.794 -5.695 -5.692 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.522 -8.050 -4.952 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -32.738 -6.892 -6.249 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.692 -9.359 -6.708 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.195 -7.967 -7.650 1.00 54.10 H new ATOM 314 N GLU A 21 -29.913 -9.388 -3.564 1.00 43.25 N ATOM 315 CA GLU A 21 -29.847 -10.180 -2.346 1.00 14.45 C ATOM 316 C GLU A 21 -28.481 -10.843 -2.223 1.00 61.52 C ATOM 317 O GLU A 21 -28.244 -11.638 -1.310 1.00 44.12 O ATOM 318 CB GLU A 21 -30.922 -11.267 -2.375 1.00 73.54 C ATOM 319 CG GLU A 21 -32.323 -10.750 -2.646 1.00 25.00 C ATOM 320 CD GLU A 21 -33.308 -11.872 -2.891 1.00 21.25 C ATOM 321 OE1 GLU A 21 -33.836 -12.432 -1.909 1.00 31.02 O ATOM 322 OE2 GLU A 21 -33.563 -12.202 -4.069 1.00 2.14 O ATOM 0 H GLU A 21 -30.202 -9.918 -4.386 1.00 43.25 H new ATOM 0 HA GLU A 21 -30.010 -9.520 -1.494 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.662 -11.998 -3.140 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.919 -11.791 -1.419 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.659 -10.153 -1.798 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.304 -10.090 -3.513 1.00 25.00 H new ATOM 329 N ALA A 22 -27.593 -10.538 -3.155 1.00 13.31 N ATOM 330 CA ALA A 22 -26.298 -11.186 -3.203 1.00 45.34 C ATOM 331 C ALA A 22 -25.168 -10.199 -2.963 1.00 74.40 C ATOM 332 O ALA A 22 -25.102 -9.145 -3.598 1.00 53.45 O ATOM 333 CB ALA A 22 -26.113 -11.882 -4.541 1.00 43.43 C ATOM 0 H ALA A 22 -27.748 -9.845 -3.888 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.265 -11.926 -2.404 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.137 -12.366 -4.567 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.893 -12.632 -4.672 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.176 -11.148 -5.345 1.00 43.43 H new ATOM 339 N GLU A 23 -24.286 -10.552 -2.045 1.00 31.23 N ATOM 340 CA GLU A 23 -23.103 -9.759 -1.772 1.00 5.24 C ATOM 341 C GLU A 23 -22.019 -10.093 -2.782 1.00 11.04 C ATOM 342 O GLU A 23 -21.697 -11.265 -2.989 1.00 5.32 O ATOM 343 CB GLU A 23 -22.589 -10.037 -0.359 1.00 2.23 C ATOM 344 CG GLU A 23 -23.520 -9.557 0.739 1.00 32.11 C ATOM 345 CD GLU A 23 -23.646 -8.051 0.755 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.738 -7.386 1.298 1.00 2.10 O ATOM 347 OE2 GLU A 23 -24.647 -7.527 0.224 1.00 74.04 O ATOM 0 H GLU A 23 -24.369 -11.391 -1.471 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.363 -8.704 -1.851 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -22.431 -11.109 -0.245 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.618 -9.557 -0.235 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -24.505 -10.002 0.599 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -23.149 -9.900 1.705 1.00 32.11 H new ATOM 354 N ILE A 24 -21.456 -9.072 -3.401 1.00 13.41 N ATOM 355 CA ILE A 24 -20.373 -9.273 -4.345 1.00 74.24 C ATOM 356 C ILE A 24 -19.054 -9.288 -3.595 1.00 61.32 C ATOM 357 O ILE A 24 -18.614 -8.263 -3.075 1.00 75.31 O ATOM 358 CB ILE A 24 -20.312 -8.151 -5.407 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.717 -7.699 -5.812 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.536 -8.620 -6.630 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.589 -8.809 -6.350 1.00 33.11 C ATOM 0 H ILE A 24 -21.730 -8.098 -3.268 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.553 -10.220 -4.853 1.00 74.24 H new ATOM 0 HB ILE A 24 -19.795 -7.298 -4.967 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.207 -7.253 -4.947 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -21.632 -6.919 -6.568 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.502 -7.819 -7.368 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.521 -8.886 -6.337 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.029 -9.491 -7.062 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.567 -8.408 -6.614 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.123 -9.241 -7.236 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.707 -9.580 -5.589 1.00 33.11 H new ATOM 373 N THR A 25 -18.437 -10.452 -3.534 1.00 14.02 N ATOM 374 CA THR A 25 -17.177 -10.609 -2.838 1.00 54.43 C ATOM 375 C THR A 25 -16.057 -10.836 -3.842 1.00 60.33 C ATOM 376 O THR A 25 -15.991 -11.878 -4.496 1.00 24.53 O ATOM 377 CB THR A 25 -17.246 -11.788 -1.850 1.00 3.22 C ATOM 378 OG1 THR A 25 -18.443 -11.693 -1.068 1.00 13.51 O ATOM 379 CG2 THR A 25 -16.038 -11.809 -0.924 1.00 30.53 C ATOM 0 H THR A 25 -18.792 -11.308 -3.961 1.00 14.02 H new ATOM 0 HA THR A 25 -16.975 -9.698 -2.274 1.00 54.43 H new ATOM 0 HB THR A 25 -17.249 -12.712 -2.429 1.00 3.22 H new ATOM 0 HG1 THR A 25 -18.410 -12.347 -0.339 1.00 13.51 H new ATOM 0 HG21 THR A 25 -16.119 -12.654 -0.240 1.00 30.53 H new ATOM 0 HG22 THR A 25 -15.128 -11.907 -1.516 1.00 30.53 H new ATOM 0 HG23 THR A 25 -16.001 -10.881 -0.353 1.00 30.53 H new ATOM 387 N VAL A 26 -15.188 -9.851 -3.978 1.00 74.44 N ATOM 388 CA VAL A 26 -14.122 -9.915 -4.958 1.00 13.43 C ATOM 389 C VAL A 26 -12.877 -10.568 -4.372 1.00 70.34 C ATOM 390 O VAL A 26 -12.272 -10.067 -3.423 1.00 52.34 O ATOM 391 CB VAL A 26 -13.778 -8.518 -5.530 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.898 -8.025 -6.435 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.524 -7.511 -4.414 1.00 35.24 C ATOM 0 H VAL A 26 -15.201 -8.997 -3.421 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.484 -10.531 -5.781 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.864 -8.613 -6.116 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.641 -7.042 -6.829 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -15.032 -8.723 -7.261 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -15.824 -7.956 -5.864 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.285 -6.540 -4.848 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.416 -7.422 -3.794 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.689 -7.850 -3.801 1.00 35.24 H new ATOM 403 N THR A 27 -12.524 -11.715 -4.913 1.00 53.51 N ATOM 404 CA THR A 27 -11.324 -12.409 -4.501 1.00 3.34 C ATOM 405 C THR A 27 -10.172 -12.028 -5.419 1.00 43.20 C ATOM 406 O THR A 27 -10.113 -12.455 -6.578 1.00 52.12 O ATOM 407 CB THR A 27 -11.537 -13.931 -4.521 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.732 -14.253 -3.798 1.00 55.14 O ATOM 409 CG2 THR A 27 -10.356 -14.655 -3.894 1.00 63.14 C ATOM 0 H THR A 27 -13.055 -12.188 -5.644 1.00 53.51 H new ATOM 0 HA THR A 27 -11.085 -12.114 -3.479 1.00 3.34 H new ATOM 0 HB THR A 27 -11.628 -14.254 -5.558 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.364 -14.705 -4.395 1.00 55.14 H new ATOM 0 HG21 THR A 27 -10.532 -15.730 -3.921 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.449 -14.422 -4.451 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.239 -14.332 -2.859 1.00 63.14 H new ATOM 417 N SER A 28 -9.276 -11.203 -4.908 1.00 23.54 N ATOM 418 CA SER A 28 -8.168 -10.708 -5.697 1.00 22.03 C ATOM 419 C SER A 28 -6.934 -11.580 -5.512 1.00 14.30 C ATOM 420 O SER A 28 -6.390 -11.687 -4.414 1.00 32.51 O ATOM 421 CB SER A 28 -7.866 -9.246 -5.337 1.00 23.21 C ATOM 422 OG SER A 28 -7.716 -9.063 -3.935 1.00 51.11 O ATOM 0 H SER A 28 -9.296 -10.862 -3.947 1.00 23.54 H new ATOM 0 HA SER A 28 -8.450 -10.751 -6.749 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.955 -8.929 -5.844 1.00 23.21 H new ATOM 0 HB3 SER A 28 -8.672 -8.609 -5.702 1.00 23.21 H new ATOM 0 HG SER A 28 -7.224 -9.822 -3.557 1.00 51.11 H new ATOM 428 N LEU A 29 -6.519 -12.229 -6.589 1.00 60.25 N ATOM 429 CA LEU A 29 -5.303 -13.018 -6.576 1.00 24.55 C ATOM 430 C LEU A 29 -4.118 -12.118 -6.889 1.00 12.10 C ATOM 431 O LEU A 29 -3.862 -11.783 -8.046 1.00 65.12 O ATOM 432 CB LEU A 29 -5.372 -14.176 -7.582 1.00 52.33 C ATOM 433 CG LEU A 29 -6.414 -15.265 -7.280 1.00 2.03 C ATOM 434 CD1 LEU A 29 -7.822 -14.794 -7.624 1.00 71.35 C ATOM 435 CD2 LEU A 29 -6.082 -16.539 -8.039 1.00 60.32 C ATOM 0 H LEU A 29 -7.009 -12.223 -7.483 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.184 -13.454 -5.584 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.582 -13.763 -8.569 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -4.389 -14.645 -7.635 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.382 -15.473 -6.210 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -8.536 -15.586 -7.399 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.064 -13.910 -7.035 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -7.875 -14.549 -8.685 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -6.829 -17.301 -7.815 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -6.082 -16.335 -9.110 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -5.097 -16.896 -7.737 1.00 60.32 H new ATOM 447 N VAL A 30 -3.422 -11.696 -5.846 1.00 4.40 N ATOM 448 CA VAL A 30 -2.293 -10.795 -5.999 1.00 1.44 C ATOM 449 C VAL A 30 -1.088 -11.545 -6.542 1.00 64.14 C ATOM 450 O VAL A 30 -0.648 -12.537 -5.961 1.00 15.34 O ATOM 451 CB VAL A 30 -1.918 -10.114 -4.668 1.00 71.32 C ATOM 452 CG1 VAL A 30 -0.767 -9.139 -4.871 1.00 52.04 C ATOM 453 CG2 VAL A 30 -3.125 -9.403 -4.073 1.00 30.41 C ATOM 0 H VAL A 30 -3.620 -11.964 -4.882 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.592 -10.020 -6.705 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.594 -10.884 -3.968 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -0.517 -8.668 -3.920 1.00 52.04 H new ATOM 0 HG12 VAL A 30 0.102 -9.676 -5.250 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.061 -8.373 -5.589 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -2.841 -8.928 -3.134 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -3.481 -8.644 -4.770 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -3.919 -10.127 -3.888 1.00 30.41 H new ATOM 463 N GLY A 31 -0.578 -11.076 -7.666 1.00 42.32 N ATOM 464 CA GLY A 31 0.572 -11.698 -8.286 1.00 63.24 C ATOM 465 C GLY A 31 0.628 -11.389 -9.761 1.00 24.53 C ATOM 466 O GLY A 31 1.533 -10.700 -10.232 1.00 24.33 O ATOM 0 H GLY A 31 -0.944 -10.266 -8.167 1.00 42.32 H new ATOM 0 HA2 GLY A 31 1.484 -11.347 -7.803 1.00 63.24 H new ATOM 0 HA3 GLY A 31 0.529 -12.777 -8.139 1.00 63.24 H new ATOM 470 N ASP A 32 -0.356 -11.888 -10.490 1.00 54.21 N ATOM 471 CA ASP A 32 -0.485 -11.589 -11.905 1.00 24.22 C ATOM 472 C ASP A 32 -1.905 -11.174 -12.228 1.00 21.34 C ATOM 473 O ASP A 32 -2.865 -11.806 -11.780 1.00 50.54 O ATOM 474 CB ASP A 32 -0.082 -12.782 -12.773 1.00 33.31 C ATOM 475 CG ASP A 32 1.418 -12.879 -12.967 1.00 63.05 C ATOM 476 OD1 ASP A 32 1.997 -11.951 -13.576 1.00 1.50 O ATOM 477 OD2 ASP A 32 2.020 -13.884 -12.529 1.00 71.24 O ATOM 0 H ASP A 32 -1.080 -12.505 -10.122 1.00 54.21 H new ATOM 0 HA ASP A 32 0.193 -10.765 -12.129 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -0.446 -13.701 -12.313 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -0.566 -12.699 -13.746 1.00 33.31 H new ATOM 482 N ASN A 33 -2.029 -10.111 -13.009 1.00 11.01 N ATOM 483 CA ASN A 33 -3.330 -9.570 -13.384 1.00 33.31 C ATOM 484 C ASN A 33 -3.974 -10.428 -14.465 1.00 73.15 C ATOM 485 O ASN A 33 -4.083 -10.020 -15.621 1.00 35.41 O ATOM 486 CB ASN A 33 -3.195 -8.123 -13.877 1.00 23.21 C ATOM 487 CG ASN A 33 -2.619 -7.188 -12.827 1.00 63.34 C ATOM 488 OD1 ASN A 33 -3.352 -6.590 -12.039 1.00 61.15 O ATOM 489 ND2 ASN A 33 -1.301 -7.048 -12.811 1.00 30.04 N ATOM 0 H ASN A 33 -1.237 -9.601 -13.399 1.00 11.01 H new ATOM 0 HA ASN A 33 -3.967 -9.580 -12.500 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.557 -8.104 -14.761 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -4.175 -7.757 -14.183 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -0.862 -6.428 -12.130 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -0.726 -7.560 -13.480 1.00 30.04 H new ATOM 496 N ASN A 34 -4.372 -11.632 -14.088 1.00 61.41 N ATOM 497 CA ASN A 34 -5.010 -12.552 -15.016 1.00 4.13 C ATOM 498 C ASN A 34 -6.526 -12.436 -14.910 1.00 1.44 C ATOM 499 O ASN A 34 -7.173 -11.806 -15.749 1.00 40.12 O ATOM 500 CB ASN A 34 -4.561 -13.989 -14.727 1.00 53.13 C ATOM 501 CG ASN A 34 -5.166 -14.998 -15.687 1.00 60.20 C ATOM 502 OD1 ASN A 34 -6.256 -15.516 -15.452 1.00 22.32 O ATOM 503 ND2 ASN A 34 -4.449 -15.308 -16.756 1.00 24.41 N ATOM 0 H ASN A 34 -4.264 -11.996 -13.141 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.712 -12.293 -16.032 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -3.474 -14.044 -14.786 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -4.838 -14.253 -13.707 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -4.797 -15.999 -17.420 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -3.549 -14.855 -16.915 1.00 24.41 H new ATOM 510 N HIS A 35 -7.083 -13.032 -13.864 1.00 11.54 N ATOM 511 CA HIS A 35 -8.516 -12.977 -13.601 1.00 21.41 C ATOM 512 C HIS A 35 -8.757 -12.974 -12.101 1.00 54.15 C ATOM 513 O HIS A 35 -8.016 -13.604 -11.349 1.00 54.44 O ATOM 514 CB HIS A 35 -9.252 -14.167 -14.235 1.00 25.33 C ATOM 515 CG HIS A 35 -9.521 -14.021 -15.702 1.00 13.33 C ATOM 516 ND1 HIS A 35 -8.749 -14.298 -16.778 1.00 35.21 N flip ATOM 517 CD2 HIS A 35 -10.713 -13.548 -16.202 1.00 50.13 C flip ATOM 518 CE1 HIS A 35 -9.479 -13.990 -17.898 1.00 24.43 C flip ATOM 519 NE2 HIS A 35 -10.661 -13.538 -17.522 1.00 23.03 N flip ATOM 0 H HIS A 35 -6.555 -13.567 -13.174 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.906 -12.062 -14.046 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -8.663 -15.070 -14.075 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -10.200 -14.309 -13.717 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -7.799 -14.668 -16.760 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -11.559 -13.234 -15.608 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -9.142 -14.099 -18.918 1.00 24.43 H new ATOM 528 N TYR A 36 -9.783 -12.264 -11.665 1.00 43.33 N ATOM 529 CA TYR A 36 -10.109 -12.201 -10.253 1.00 71.31 C ATOM 530 C TYR A 36 -11.446 -12.876 -10.008 1.00 40.50 C ATOM 531 O TYR A 36 -12.341 -12.817 -10.851 1.00 24.43 O ATOM 532 CB TYR A 36 -10.117 -10.748 -9.773 1.00 22.12 C ATOM 533 CG TYR A 36 -8.772 -10.074 -9.951 1.00 15.02 C ATOM 534 CD1 TYR A 36 -7.697 -10.417 -9.142 1.00 41.21 C ATOM 535 CD2 TYR A 36 -8.572 -9.114 -10.935 1.00 43.30 C ATOM 536 CE1 TYR A 36 -6.459 -9.826 -9.309 1.00 62.32 C ATOM 537 CE2 TYR A 36 -7.335 -8.516 -11.107 1.00 62.54 C ATOM 538 CZ TYR A 36 -6.285 -8.876 -10.289 1.00 1.54 C ATOM 539 OH TYR A 36 -5.049 -8.294 -10.460 1.00 12.31 O ATOM 0 H TYR A 36 -10.403 -11.724 -12.268 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.348 -12.731 -9.680 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -10.875 -10.191 -10.323 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.399 -10.717 -8.721 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -7.831 -11.159 -8.369 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -9.394 -8.830 -11.576 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -5.633 -10.108 -8.674 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -7.193 -7.772 -11.877 1.00 62.54 H new ATOM 0 HH TYR A 36 -5.054 -7.749 -11.274 1.00 12.31 H new ATOM 549 N SER A 37 -11.575 -13.516 -8.861 1.00 2.23 N ATOM 550 CA SER A 37 -12.716 -14.373 -8.587 1.00 21.11 C ATOM 551 C SER A 37 -13.887 -13.573 -8.024 1.00 62.15 C ATOM 552 O SER A 37 -13.719 -12.773 -7.100 1.00 50.13 O ATOM 553 CB SER A 37 -12.298 -15.468 -7.603 1.00 62.23 C ATOM 554 OG SER A 37 -13.280 -16.483 -7.498 1.00 63.00 O ATOM 0 H SER A 37 -10.900 -13.459 -8.099 1.00 2.23 H new ATOM 0 HA SER A 37 -13.046 -14.826 -9.522 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.354 -15.907 -7.927 1.00 62.23 H new ATOM 0 HB3 SER A 37 -12.124 -15.027 -6.621 1.00 62.23 H new ATOM 0 HG SER A 37 -13.477 -16.651 -6.553 1.00 63.00 H new ATOM 560 N ILE A 38 -15.068 -13.782 -8.590 1.00 34.53 N ATOM 561 CA ILE A 38 -16.278 -13.142 -8.099 1.00 12.35 C ATOM 562 C ILE A 38 -17.067 -14.125 -7.243 1.00 21.51 C ATOM 563 O ILE A 38 -17.724 -15.032 -7.759 1.00 24.12 O ATOM 564 CB ILE A 38 -17.171 -12.634 -9.257 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.420 -11.600 -10.103 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.471 -12.039 -8.720 1.00 23.22 C ATOM 567 CD1 ILE A 38 -16.022 -10.352 -9.339 1.00 24.22 C ATOM 0 H ILE A 38 -15.213 -14.393 -9.394 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.979 -12.280 -7.503 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.420 -13.485 -9.890 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -15.523 -12.064 -10.514 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.046 -11.313 -10.948 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.082 -11.689 -9.552 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.017 -12.801 -8.164 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.243 -11.202 -8.060 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.495 -9.670 -10.006 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -16.915 -9.863 -8.951 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -15.369 -10.625 -8.510 1.00 24.22 H new ATOM 579 N LYS A 39 -16.978 -13.959 -5.934 1.00 62.41 N ATOM 580 CA LYS A 39 -17.672 -14.834 -5.013 1.00 70.34 C ATOM 581 C LYS A 39 -19.008 -14.217 -4.624 1.00 25.51 C ATOM 582 O LYS A 39 -19.064 -13.165 -3.990 1.00 73.43 O ATOM 583 CB LYS A 39 -16.811 -15.112 -3.777 1.00 35.52 C ATOM 584 CG LYS A 39 -17.425 -16.119 -2.818 1.00 1.32 C ATOM 585 CD LYS A 39 -16.483 -16.481 -1.670 1.00 0.22 C ATOM 586 CE LYS A 39 -15.311 -17.349 -2.125 1.00 64.33 C ATOM 587 NZ LYS A 39 -14.222 -16.558 -2.761 1.00 52.43 N ATOM 0 H LYS A 39 -16.430 -13.224 -5.487 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.861 -15.789 -5.504 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.836 -15.478 -4.099 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.640 -14.175 -3.246 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.350 -15.711 -2.410 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.690 -17.023 -3.366 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -16.099 -15.567 -1.217 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -17.043 -17.008 -0.898 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -14.909 -17.888 -1.267 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.671 -18.097 -2.831 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -14.214 -16.739 -3.785 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -14.383 -15.545 -2.589 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -13.307 -16.837 -2.353 1.00 52.43 H new ATOM 601 N VAL A 40 -20.077 -14.875 -5.034 1.00 63.22 N ATOM 602 CA VAL A 40 -21.426 -14.403 -4.784 1.00 35.24 C ATOM 603 C VAL A 40 -21.958 -14.977 -3.476 1.00 33.00 C ATOM 604 O VAL A 40 -22.142 -16.189 -3.347 1.00 4.22 O ATOM 605 CB VAL A 40 -22.367 -14.799 -5.941 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.787 -14.326 -5.679 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.850 -14.250 -7.263 1.00 42.04 C ATOM 0 H VAL A 40 -20.034 -15.753 -5.551 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.393 -13.316 -4.711 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.385 -15.887 -6.004 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.427 -14.619 -6.511 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.157 -14.778 -4.759 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.796 -13.241 -5.579 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.527 -14.540 -8.067 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.795 -13.163 -7.209 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.857 -14.654 -7.461 1.00 42.04 H new ATOM 617 N ILE A 41 -22.187 -14.105 -2.506 1.00 54.23 N ATOM 618 CA ILE A 41 -22.714 -14.518 -1.216 1.00 33.03 C ATOM 619 C ILE A 41 -24.204 -14.211 -1.130 1.00 40.43 C ATOM 620 O ILE A 41 -24.606 -13.055 -0.992 1.00 0.12 O ATOM 621 CB ILE A 41 -21.978 -13.821 -0.048 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.477 -14.124 -0.096 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.567 -14.251 1.292 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.143 -15.596 0.025 1.00 73.31 C ATOM 0 H ILE A 41 -22.015 -13.103 -2.589 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.554 -15.593 -1.129 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.114 -12.745 -0.154 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.070 -13.745 -1.033 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.981 -13.582 0.709 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.035 -13.750 2.101 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.622 -13.981 1.329 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.465 -15.330 1.405 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.062 -15.728 -0.018 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.518 -15.977 0.975 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.608 -16.143 -0.795 1.00 73.31 H new ATOM 636 N SER A 42 -25.021 -15.245 -1.244 1.00 20.34 N ATOM 637 CA SER A 42 -26.460 -15.091 -1.131 1.00 24.41 C ATOM 638 C SER A 42 -27.079 -16.370 -0.583 1.00 53.10 C ATOM 639 O SER A 42 -26.798 -17.467 -1.072 1.00 71.22 O ATOM 640 CB SER A 42 -27.072 -14.742 -2.490 1.00 15.34 C ATOM 641 OG SER A 42 -28.417 -14.312 -2.347 1.00 44.11 O ATOM 0 H SER A 42 -24.711 -16.201 -1.415 1.00 20.34 H new ATOM 0 HA SER A 42 -26.671 -14.274 -0.441 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.484 -13.957 -2.967 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.032 -15.612 -3.145 1.00 15.34 H new ATOM 0 HG SER A 42 -28.432 -13.399 -1.992 1.00 44.11 H new ATOM 647 N SER A 43 -27.930 -16.219 0.422 1.00 30.43 N ATOM 648 CA SER A 43 -28.541 -17.354 1.102 1.00 73.12 C ATOM 649 C SER A 43 -29.519 -18.114 0.203 1.00 23.01 C ATOM 650 O SER A 43 -30.044 -19.153 0.594 1.00 1.22 O ATOM 651 CB SER A 43 -29.248 -16.867 2.366 1.00 14.53 C ATOM 652 OG SER A 43 -28.340 -16.175 3.210 1.00 21.44 O ATOM 0 H SER A 43 -28.216 -15.311 0.788 1.00 30.43 H new ATOM 0 HA SER A 43 -27.747 -18.053 1.366 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.075 -16.210 2.097 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.675 -17.716 2.900 1.00 14.53 H new ATOM 0 HG SER A 43 -28.809 -15.868 4.014 1.00 21.44 H new ATOM 658 N GLN A 44 -29.755 -17.610 -1.002 1.00 22.21 N ATOM 659 CA GLN A 44 -30.631 -18.298 -1.942 1.00 35.52 C ATOM 660 C GLN A 44 -29.852 -19.359 -2.719 1.00 53.44 C ATOM 661 O GLN A 44 -30.425 -20.130 -3.482 1.00 5.22 O ATOM 662 CB GLN A 44 -31.305 -17.304 -2.892 1.00 53.01 C ATOM 663 CG GLN A 44 -30.354 -16.578 -3.826 1.00 53.14 C ATOM 664 CD GLN A 44 -31.058 -15.500 -4.627 1.00 12.44 C ATOM 665 OE1 GLN A 44 -31.585 -15.756 -5.710 1.00 4.51 O ATOM 666 NE2 GLN A 44 -31.067 -14.284 -4.103 1.00 42.54 N ATOM 0 H GLN A 44 -29.357 -16.737 -1.349 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.416 -18.798 -1.375 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -32.044 -17.837 -3.490 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.846 -16.566 -2.300 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -29.547 -16.130 -3.246 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -29.896 -17.295 -4.507 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -30.619 -14.113 -3.203 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -31.522 -13.518 -4.600 1.00 42.54 H new ATOM 675 N PHE A 45 -28.535 -19.387 -2.516 1.00 2.34 N ATOM 676 CA PHE A 45 -27.702 -20.445 -3.073 1.00 54.05 C ATOM 677 C PHE A 45 -27.503 -21.549 -2.042 1.00 52.21 C ATOM 678 O PHE A 45 -27.017 -22.636 -2.358 1.00 54.32 O ATOM 679 CB PHE A 45 -26.336 -19.904 -3.508 1.00 21.10 C ATOM 680 CG PHE A 45 -26.364 -19.088 -4.772 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.525 -19.703 -6.005 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.208 -17.713 -4.731 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.528 -18.960 -7.172 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.214 -16.964 -5.894 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.373 -17.590 -7.116 1.00 32.51 C ATOM 0 H PHE A 45 -28.026 -18.690 -1.972 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.211 -20.846 -3.949 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.929 -19.292 -2.704 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.654 -20.743 -3.647 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.649 -20.775 -6.054 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.080 -17.219 -3.779 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.652 -19.452 -8.126 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.095 -15.892 -5.847 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.376 -17.008 -8.026 1.00 32.51 H new ATOM 695 N GLN A 46 -27.906 -21.266 -0.810 1.00 72.45 N ATOM 696 CA GLN A 46 -27.746 -22.208 0.287 1.00 75.13 C ATOM 697 C GLN A 46 -28.753 -23.346 0.158 1.00 33.34 C ATOM 698 O GLN A 46 -29.958 -23.109 0.083 1.00 13.13 O ATOM 699 CB GLN A 46 -27.936 -21.499 1.631 1.00 64.41 C ATOM 700 CG GLN A 46 -27.747 -22.411 2.836 1.00 21.44 C ATOM 701 CD GLN A 46 -26.290 -22.703 3.139 1.00 44.02 C ATOM 702 OE1 GLN A 46 -25.434 -22.692 2.256 1.00 34.13 O ATOM 703 NE2 GLN A 46 -26.001 -22.973 4.399 1.00 64.01 N ATOM 0 H GLN A 46 -28.349 -20.386 -0.546 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.737 -22.619 0.243 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -27.230 -20.672 1.698 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.936 -21.068 1.666 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -28.208 -21.949 3.709 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -28.270 -23.351 2.659 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -26.739 -22.972 5.103 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -25.040 -23.182 4.668 1.00 64.01 H new ATOM 712 N GLY A 47 -28.255 -24.573 0.123 1.00 61.23 N ATOM 713 CA GLY A 47 -29.130 -25.723 0.018 1.00 30.52 C ATOM 714 C GLY A 47 -29.236 -26.222 -1.407 1.00 5.25 C ATOM 715 O GLY A 47 -29.900 -27.221 -1.680 1.00 33.03 O ATOM 0 H GLY A 47 -27.260 -24.793 0.165 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -28.756 -26.523 0.656 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.122 -25.460 0.385 1.00 30.52 H new ATOM 719 N LYS A 48 -28.582 -25.518 -2.320 1.00 74.22 N ATOM 720 CA LYS A 48 -28.559 -25.917 -3.720 1.00 25.13 C ATOM 721 C LYS A 48 -27.513 -26.998 -3.939 1.00 55.24 C ATOM 722 O LYS A 48 -26.769 -27.351 -3.021 1.00 42.13 O ATOM 723 CB LYS A 48 -28.260 -24.716 -4.624 1.00 2.30 C ATOM 724 CG LYS A 48 -29.477 -23.908 -5.071 1.00 31.41 C ATOM 725 CD LYS A 48 -30.302 -23.364 -3.911 1.00 43.32 C ATOM 726 CE LYS A 48 -31.418 -24.319 -3.512 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.254 -24.714 -4.677 1.00 10.22 N ATOM 0 H LYS A 48 -28.059 -24.666 -2.116 1.00 74.22 H new ATOM 0 HA LYS A 48 -29.542 -26.310 -3.978 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -27.577 -24.049 -4.098 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -27.737 -25.073 -5.511 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -29.144 -23.076 -5.691 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.112 -24.537 -5.695 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -29.652 -23.187 -3.054 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -30.730 -22.401 -4.190 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -30.987 -25.210 -3.056 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.047 -23.847 -2.757 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -33.229 -24.892 -4.361 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.253 -23.948 -5.381 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -31.866 -25.579 -5.106 1.00 10.22 H new ATOM 741 N SER A 49 -27.462 -27.525 -5.150 1.00 13.41 N ATOM 742 CA SER A 49 -26.482 -28.537 -5.502 1.00 51.51 C ATOM 743 C SER A 49 -25.744 -28.129 -6.772 1.00 12.24 C ATOM 744 O SER A 49 -26.225 -27.269 -7.512 1.00 74.40 O ATOM 745 CB SER A 49 -27.170 -29.893 -5.672 1.00 73.24 C ATOM 746 OG SER A 49 -27.848 -30.254 -4.478 1.00 23.44 O ATOM 0 H SER A 49 -28.092 -27.267 -5.910 1.00 13.41 H new ATOM 0 HA SER A 49 -25.750 -28.627 -4.700 1.00 51.51 H new ATOM 0 HB2 SER A 49 -27.877 -29.849 -6.501 1.00 73.24 H new ATOM 0 HB3 SER A 49 -26.432 -30.654 -5.923 1.00 73.24 H new ATOM 0 HG SER A 49 -28.285 -31.122 -4.600 1.00 23.44 H new ATOM 752 N LYS A 50 -24.590 -28.753 -7.014 1.00 4.42 N ATOM 753 CA LYS A 50 -23.696 -28.381 -8.116 1.00 71.43 C ATOM 754 C LYS A 50 -24.436 -28.173 -9.428 1.00 23.45 C ATOM 755 O LYS A 50 -24.394 -27.085 -9.998 1.00 32.41 O ATOM 756 CB LYS A 50 -22.633 -29.456 -8.326 1.00 4.10 C ATOM 757 CG LYS A 50 -21.586 -29.515 -7.237 1.00 64.11 C ATOM 758 CD LYS A 50 -20.632 -30.666 -7.477 1.00 23.40 C ATOM 759 CE LYS A 50 -19.544 -30.722 -6.424 1.00 14.31 C ATOM 760 NZ LYS A 50 -18.778 -31.992 -6.500 1.00 52.11 N ATOM 0 H LYS A 50 -24.247 -29.532 -6.452 1.00 4.42 H new ATOM 0 HA LYS A 50 -23.236 -27.435 -7.829 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -23.123 -30.427 -8.396 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.138 -29.280 -9.281 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -21.032 -28.577 -7.206 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -22.069 -29.632 -6.267 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.187 -31.604 -7.477 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -20.179 -30.563 -8.463 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -18.866 -29.879 -6.555 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -19.989 -30.623 -5.434 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -18.041 -31.998 -5.766 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -19.422 -32.795 -6.351 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -18.334 -32.074 -7.437 1.00 52.11 H new ATOM 774 N LEU A 51 -25.106 -29.216 -9.901 1.00 35.35 N ATOM 775 CA LEU A 51 -25.769 -29.183 -11.202 1.00 23.42 C ATOM 776 C LEU A 51 -26.753 -28.024 -11.289 1.00 5.20 C ATOM 777 O LEU A 51 -26.791 -27.297 -12.285 1.00 63.51 O ATOM 778 CB LEU A 51 -26.496 -30.507 -11.476 1.00 12.31 C ATOM 779 CG LEU A 51 -25.628 -31.651 -12.025 1.00 32.31 C ATOM 780 CD1 LEU A 51 -24.482 -31.992 -11.084 1.00 43.12 C ATOM 781 CD2 LEU A 51 -26.482 -32.881 -12.281 1.00 32.51 C ATOM 0 H LEU A 51 -25.206 -30.100 -9.402 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.999 -29.040 -11.960 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -26.960 -30.842 -10.549 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -27.302 -30.316 -12.185 1.00 12.31 H new ATOM 0 HG LEU A 51 -25.193 -31.313 -12.966 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -23.893 -32.805 -11.508 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -23.848 -31.116 -10.950 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -24.883 -32.300 -10.119 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -25.856 -33.684 -12.670 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -26.947 -33.202 -11.349 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -27.257 -32.641 -13.009 1.00 32.51 H new ATOM 793 N GLU A 52 -27.518 -27.835 -10.224 1.00 71.20 N ATOM 794 CA GLU A 52 -28.510 -26.805 -10.159 1.00 3.31 C ATOM 795 C GLU A 52 -27.858 -25.425 -10.095 1.00 30.12 C ATOM 796 O GLU A 52 -28.263 -24.508 -10.808 1.00 1.51 O ATOM 797 CB GLU A 52 -29.373 -27.077 -8.932 1.00 30.33 C ATOM 798 CG GLU A 52 -30.360 -25.990 -8.647 1.00 23.32 C ATOM 799 CD GLU A 52 -31.345 -26.368 -7.560 1.00 25.24 C ATOM 800 OE1 GLU A 52 -30.970 -26.337 -6.371 1.00 33.02 O ATOM 801 OE2 GLU A 52 -32.499 -26.716 -7.889 1.00 61.13 O ATOM 0 H GLU A 52 -27.457 -28.404 -9.380 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.130 -26.811 -11.056 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.909 -28.016 -9.075 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -28.727 -27.207 -8.064 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -29.825 -25.088 -8.350 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -30.906 -25.751 -9.560 1.00 23.32 H new ATOM 808 N GLN A 53 -26.834 -25.292 -9.259 1.00 12.11 N ATOM 809 CA GLN A 53 -26.099 -24.041 -9.140 1.00 42.34 C ATOM 810 C GLN A 53 -25.471 -23.664 -10.473 1.00 43.01 C ATOM 811 O GLN A 53 -25.600 -22.529 -10.931 1.00 50.30 O ATOM 812 CB GLN A 53 -25.013 -24.151 -8.067 1.00 43.04 C ATOM 813 CG GLN A 53 -25.559 -24.262 -6.655 1.00 62.32 C ATOM 814 CD GLN A 53 -24.476 -24.534 -5.628 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.168 -25.683 -5.329 1.00 70.33 O ATOM 816 NE2 GLN A 53 -23.888 -23.480 -5.088 1.00 33.33 N ATOM 0 H GLN A 53 -26.494 -26.039 -8.653 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.803 -23.262 -8.847 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.394 -25.023 -8.277 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.364 -23.277 -8.128 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.076 -23.338 -6.396 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.299 -25.062 -6.618 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -24.173 -22.540 -5.363 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -23.149 -23.607 -4.396 1.00 33.33 H new ATOM 825 N HIS A 54 -24.814 -24.636 -11.105 1.00 11.40 N ATOM 826 CA HIS A 54 -24.136 -24.396 -12.372 1.00 50.22 C ATOM 827 C HIS A 54 -25.140 -23.947 -13.426 1.00 75.33 C ATOM 828 O HIS A 54 -24.912 -22.960 -14.122 1.00 22.05 O ATOM 829 CB HIS A 54 -23.390 -25.648 -12.860 1.00 60.03 C ATOM 830 CG HIS A 54 -22.325 -26.139 -11.923 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.532 -25.477 -11.042 1.00 44.12 N flip ATOM 832 CD2 HIS A 54 -21.987 -27.471 -11.806 1.00 72.31 C flip ATOM 833 CE1 HIS A 54 -20.748 -26.416 -10.416 1.00 21.24 C flip ATOM 834 NE2 HIS A 54 -21.046 -27.608 -10.893 1.00 73.11 N flip ATOM 0 H HIS A 54 -24.739 -25.593 -10.759 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.400 -23.608 -12.211 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -24.113 -26.448 -13.020 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -22.935 -25.431 -13.827 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -22.426 -28.278 -12.375 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.008 -26.211 -9.657 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -20.620 -28.489 -10.604 1.00 73.11 H new ATOM 843 N ARG A 55 -26.259 -24.662 -13.529 1.00 60.31 N ATOM 844 CA ARG A 55 -27.284 -24.328 -14.496 1.00 40.14 C ATOM 845 C ARG A 55 -27.837 -22.922 -14.272 1.00 43.34 C ATOM 846 O ARG A 55 -28.009 -22.163 -15.226 1.00 3.25 O ATOM 847 CB ARG A 55 -28.417 -25.344 -14.456 1.00 52.11 C ATOM 848 CG ARG A 55 -28.926 -25.650 -15.843 1.00 35.13 C ATOM 849 CD ARG A 55 -30.149 -26.549 -15.841 1.00 61.41 C ATOM 850 NE ARG A 55 -30.788 -26.574 -17.159 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.859 -27.306 -17.467 1.00 14.23 C ATOM 852 NH1 ARG A 55 -32.381 -28.145 -16.581 1.00 74.13 N ATOM 853 NH2 ARG A 55 -32.401 -27.207 -18.673 1.00 52.14 N ATOM 0 H ARG A 55 -26.472 -25.475 -12.951 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.817 -24.354 -15.481 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.069 -26.262 -13.983 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.232 -24.959 -13.843 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -29.169 -24.716 -16.349 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.132 -26.127 -16.418 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -29.860 -27.560 -15.554 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -30.861 -26.197 -15.095 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.385 -25.991 -17.892 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.963 -28.234 -15.655 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -33.200 -28.701 -16.826 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.999 -26.572 -19.362 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -33.220 -27.766 -18.911 1.00 52.14 H new ATOM 867 N MET A 56 -28.110 -22.570 -13.018 1.00 5.13 N ATOM 868 CA MET A 56 -28.605 -21.232 -12.704 1.00 13.24 C ATOM 869 C MET A 56 -27.608 -20.181 -13.167 1.00 73.24 C ATOM 870 O MET A 56 -27.990 -19.178 -13.766 1.00 12.14 O ATOM 871 CB MET A 56 -28.872 -21.073 -11.206 1.00 12.34 C ATOM 872 CG MET A 56 -30.022 -21.925 -10.688 1.00 75.15 C ATOM 873 SD MET A 56 -30.393 -21.617 -8.948 1.00 61.02 S ATOM 874 CE MET A 56 -28.826 -22.022 -8.180 1.00 11.14 C ATOM 0 H MET A 56 -27.999 -23.184 -12.211 1.00 5.13 H new ATOM 0 HA MET A 56 -29.548 -21.093 -13.233 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.966 -21.331 -10.657 1.00 12.34 H new ATOM 0 HB3 MET A 56 -29.086 -20.025 -10.995 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.912 -21.727 -11.285 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.776 -22.979 -10.821 1.00 75.15 H new ATOM 0 HE1 MET A 56 -28.809 -21.635 -7.161 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.700 -23.105 -8.159 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.014 -21.574 -8.752 1.00 11.14 H new ATOM 884 N ILE A 57 -26.327 -20.434 -12.906 1.00 55.45 N ATOM 885 CA ILE A 57 -25.257 -19.557 -13.369 1.00 13.21 C ATOM 886 C ILE A 57 -25.326 -19.375 -14.885 1.00 34.43 C ATOM 887 O ILE A 57 -25.330 -18.250 -15.383 1.00 62.10 O ATOM 888 CB ILE A 57 -23.872 -20.121 -12.988 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.719 -20.176 -11.465 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.761 -19.284 -13.611 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.472 -20.902 -11.005 1.00 2.10 C ATOM 0 H ILE A 57 -26.005 -21.243 -12.374 1.00 55.45 H new ATOM 0 HA ILE A 57 -25.392 -18.591 -12.882 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.793 -21.135 -13.379 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.702 -19.159 -11.073 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.593 -20.667 -11.038 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.793 -19.698 -13.330 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.861 -19.297 -14.696 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.834 -18.257 -13.252 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.431 -20.901 -9.916 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.496 -21.930 -11.366 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.591 -20.398 -11.402 1.00 2.10 H new ATOM 903 N TYR A 58 -25.411 -20.485 -15.610 1.00 15.22 N ATOM 904 CA TYR A 58 -25.438 -20.449 -17.069 1.00 4.35 C ATOM 905 C TYR A 58 -26.682 -19.742 -17.600 1.00 73.40 C ATOM 906 O TYR A 58 -26.644 -19.129 -18.664 1.00 43.54 O ATOM 907 CB TYR A 58 -25.355 -21.865 -17.653 1.00 3.41 C ATOM 908 CG TYR A 58 -24.025 -22.542 -17.411 1.00 74.31 C ATOM 909 CD1 TYR A 58 -22.835 -21.916 -17.755 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.960 -23.810 -16.845 1.00 0.24 C ATOM 911 CE1 TYR A 58 -21.617 -22.528 -17.536 1.00 75.23 C ATOM 912 CE2 TYR A 58 -22.745 -24.429 -16.623 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.578 -23.785 -16.972 1.00 54.23 C ATOM 914 OH TYR A 58 -20.368 -24.399 -16.751 1.00 40.03 O ATOM 0 H TYR A 58 -25.462 -21.422 -15.211 1.00 15.22 H new ATOM 0 HA TYR A 58 -24.565 -19.879 -17.388 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -26.148 -22.475 -17.220 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.539 -21.818 -18.726 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.862 -20.933 -18.202 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -24.873 -24.319 -16.575 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -20.700 -22.025 -17.805 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -22.710 -25.413 -16.178 1.00 44.13 H new ATOM 0 HH TYR A 58 -19.677 -23.964 -17.293 1.00 40.03 H new ATOM 924 N LYS A 59 -27.785 -19.839 -16.869 1.00 73.42 N ATOM 925 CA LYS A 59 -29.037 -19.228 -17.304 1.00 51.11 C ATOM 926 C LYS A 59 -29.090 -17.733 -16.984 1.00 44.10 C ATOM 927 O LYS A 59 -29.738 -16.969 -17.700 1.00 22.41 O ATOM 928 CB LYS A 59 -30.237 -19.946 -16.681 1.00 13.12 C ATOM 929 CG LYS A 59 -30.421 -21.366 -17.196 1.00 73.15 C ATOM 930 CD LYS A 59 -31.638 -22.061 -16.589 1.00 61.04 C ATOM 931 CE LYS A 59 -32.953 -21.548 -17.165 1.00 2.45 C ATOM 932 NZ LYS A 59 -33.333 -20.211 -16.632 1.00 73.34 N ATOM 0 H LYS A 59 -27.840 -20.331 -15.977 1.00 73.42 H new ATOM 0 HA LYS A 59 -29.084 -19.334 -18.388 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -30.114 -19.972 -15.598 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -31.141 -19.373 -16.885 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.524 -21.344 -18.281 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.527 -21.948 -16.973 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.563 -23.134 -16.763 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.636 -21.912 -15.509 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -32.872 -21.492 -18.251 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -33.746 -22.262 -16.941 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -34.333 -20.223 -16.346 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -32.740 -19.984 -15.808 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -33.192 -19.491 -17.369 1.00 73.34 H new ATOM 946 N VAL A 60 -28.425 -17.309 -15.912 1.00 40.42 N ATOM 947 CA VAL A 60 -28.417 -15.889 -15.555 1.00 13.04 C ATOM 948 C VAL A 60 -27.267 -15.152 -16.252 1.00 62.12 C ATOM 949 O VAL A 60 -27.403 -13.993 -16.645 1.00 21.20 O ATOM 950 CB VAL A 60 -28.343 -15.666 -14.021 1.00 40.25 C ATOM 951 CG1 VAL A 60 -27.023 -16.154 -13.444 1.00 54.03 C ATOM 952 CG2 VAL A 60 -28.571 -14.199 -13.678 1.00 74.32 C ATOM 0 H VAL A 60 -27.894 -17.913 -15.285 1.00 40.42 H new ATOM 0 HA VAL A 60 -29.364 -15.476 -15.902 1.00 13.04 H new ATOM 0 HB VAL A 60 -29.138 -16.257 -13.566 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -27.010 -15.980 -12.368 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -26.912 -17.220 -13.641 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -26.200 -15.611 -13.909 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -28.515 -14.065 -12.598 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -27.806 -13.590 -14.159 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -29.555 -13.891 -14.031 1.00 74.32 H new ATOM 962 N LEU A 61 -26.148 -15.841 -16.431 1.00 32.20 N ATOM 963 CA LEU A 61 -24.985 -15.262 -17.094 1.00 23.13 C ATOM 964 C LEU A 61 -24.963 -15.696 -18.557 1.00 43.05 C ATOM 965 O LEU A 61 -23.902 -15.858 -19.163 1.00 70.44 O ATOM 966 CB LEU A 61 -23.701 -15.714 -16.384 1.00 21.35 C ATOM 967 CG LEU A 61 -22.688 -14.604 -16.068 1.00 63.31 C ATOM 968 CD1 LEU A 61 -22.186 -13.939 -17.338 1.00 14.42 C ATOM 969 CD2 LEU A 61 -23.304 -13.574 -15.133 1.00 52.20 C ATOM 0 H LEU A 61 -26.020 -16.806 -16.125 1.00 32.20 H new ATOM 0 HA LEU A 61 -25.044 -14.175 -17.048 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -23.977 -16.205 -15.451 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -23.209 -16.463 -17.004 1.00 21.35 H new ATOM 0 HG LEU A 61 -21.833 -15.061 -15.570 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -21.471 -13.158 -17.081 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -21.700 -14.682 -17.970 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -23.026 -13.499 -17.875 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -22.573 -12.794 -14.919 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -24.180 -13.130 -15.607 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -23.601 -14.058 -14.203 1.00 52.20 H new ATOM 981 N ASP A 62 -26.150 -15.873 -19.120 1.00 51.31 N ATOM 982 CA ASP A 62 -26.286 -16.332 -20.495 1.00 11.45 C ATOM 983 C ASP A 62 -25.945 -15.211 -21.472 1.00 35.13 C ATOM 984 O ASP A 62 -26.814 -14.438 -21.885 1.00 45.22 O ATOM 985 CB ASP A 62 -27.704 -16.851 -20.748 1.00 14.42 C ATOM 986 CG ASP A 62 -27.854 -17.510 -22.105 1.00 30.25 C ATOM 987 OD1 ASP A 62 -26.835 -17.934 -22.682 1.00 64.21 O ATOM 988 OD2 ASP A 62 -29.000 -17.630 -22.593 1.00 3.33 O ATOM 0 H ASP A 62 -27.036 -15.705 -18.643 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.584 -17.151 -20.655 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -27.968 -17.567 -19.970 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -28.408 -16.023 -20.671 1.00 14.42 H new ATOM 993 N GLY A 63 -24.664 -15.099 -21.793 1.00 4.15 N ATOM 994 CA GLY A 63 -24.209 -14.112 -22.750 1.00 43.43 C ATOM 995 C GLY A 63 -23.046 -14.626 -23.571 1.00 33.13 C ATOM 996 O GLY A 63 -22.168 -13.854 -23.966 1.00 43.24 O ATOM 0 H GLY A 63 -23.924 -15.682 -21.402 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -25.031 -13.841 -23.413 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -23.911 -13.205 -22.224 1.00 43.43 H new ATOM 1000 N LEU A 64 -23.038 -15.939 -23.807 1.00 51.34 N ATOM 1001 CA LEU A 64 -21.988 -16.598 -24.589 1.00 3.45 C ATOM 1002 C LEU A 64 -20.603 -16.422 -23.961 1.00 42.35 C ATOM 1003 O LEU A 64 -19.593 -16.436 -24.662 1.00 0.34 O ATOM 1004 CB LEU A 64 -21.985 -16.079 -26.033 1.00 54.54 C ATOM 1005 CG LEU A 64 -23.209 -16.465 -26.866 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -23.124 -15.846 -28.251 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -23.330 -17.980 -26.964 1.00 63.23 C ATOM 0 H LEU A 64 -23.757 -16.575 -23.463 1.00 51.34 H new ATOM 0 HA LEU A 64 -22.213 -17.665 -24.592 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -21.908 -14.992 -26.011 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -21.092 -16.452 -26.534 1.00 54.54 H new ATOM 0 HG LEU A 64 -24.100 -16.080 -26.371 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -24.002 -16.130 -28.831 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -23.083 -14.760 -28.162 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -22.226 -16.203 -28.755 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -24.206 -18.237 -27.560 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -22.437 -18.386 -27.438 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -23.434 -18.402 -25.964 1.00 63.23 H new ATOM 1019 N ASN A 65 -20.561 -16.263 -22.644 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.295 -16.187 -21.922 1.00 60.20 C ATOM 1021 C ASN A 65 -19.021 -17.512 -21.222 1.00 64.31 C ATOM 1022 O ASN A 65 -19.337 -17.684 -20.043 1.00 34.35 O ATOM 1023 CB ASN A 65 -19.303 -15.044 -20.898 1.00 11.43 C ATOM 1024 CG ASN A 65 -19.318 -13.665 -21.537 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.633 -13.516 -22.661 1.00 65.22 O flip ATOM 1026 ND2 ASN A 65 -19.917 -12.730 -21.005 1.00 54.41 N flip ATOM 0 H ASN A 65 -21.389 -16.184 -22.053 1.00 64.21 H new ATOM 0 HA ASN A 65 -18.504 -15.985 -22.644 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -20.176 -15.148 -20.254 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -18.424 -15.131 -20.259 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -20.434 -12.882 -20.139 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -19.896 -11.803 -21.430 1.00 54.41 H new ATOM 1033 N ILE A 66 -18.447 -18.454 -21.955 1.00 12.30 N ATOM 1034 CA ILE A 66 -18.251 -19.804 -21.449 1.00 41.44 C ATOM 1035 C ILE A 66 -16.998 -19.891 -20.584 1.00 2.50 C ATOM 1036 O ILE A 66 -15.878 -19.920 -21.096 1.00 31.11 O ATOM 1037 CB ILE A 66 -18.160 -20.830 -22.596 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -19.383 -20.708 -23.509 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -18.051 -22.242 -22.037 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -19.363 -21.653 -24.693 1.00 65.41 C ATOM 0 H ILE A 66 -18.108 -18.307 -22.906 1.00 12.30 H new ATOM 0 HA ILE A 66 -19.121 -20.043 -20.837 1.00 41.44 H new ATOM 0 HB ILE A 66 -17.265 -20.623 -23.182 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -20.282 -20.896 -22.922 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -19.450 -19.684 -23.876 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -17.988 -22.955 -22.859 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -17.157 -22.321 -21.419 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -18.931 -22.463 -21.432 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -20.262 -21.506 -25.291 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -18.483 -21.452 -25.304 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -19.329 -22.682 -24.336 1.00 65.41 H new ATOM 1052 N HIS A 67 -17.207 -19.895 -19.265 1.00 15.31 N ATOM 1053 CA HIS A 67 -16.125 -20.030 -18.279 1.00 41.12 C ATOM 1054 C HIS A 67 -15.189 -18.821 -18.300 1.00 13.15 C ATOM 1055 O HIS A 67 -14.148 -18.819 -17.642 1.00 11.25 O ATOM 1056 CB HIS A 67 -15.320 -21.319 -18.501 1.00 61.24 C ATOM 1057 CG HIS A 67 -16.113 -22.580 -18.317 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -16.103 -23.610 -19.232 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -16.928 -22.983 -17.314 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -16.877 -24.588 -18.801 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -17.389 -24.234 -17.639 1.00 5.34 N ATOM 0 H HIS A 67 -18.133 -19.805 -18.847 1.00 15.31 H new ATOM 0 HA HIS A 67 -16.598 -20.081 -17.298 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -14.907 -21.307 -19.510 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -14.476 -21.330 -17.811 1.00 61.24 H new ATOM 0 HD1 HIS A 67 -15.579 -23.616 -20.107 1.00 61.32 H new ATOM 0 HD2 HIS A 67 -17.171 -22.423 -16.423 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -17.060 -25.521 -19.314 1.00 43.30 H new ATOM 1070 N ALA A 68 -15.576 -17.785 -19.035 1.00 1.04 N ATOM 1071 CA ALA A 68 -14.770 -16.577 -19.139 1.00 21.21 C ATOM 1072 C ALA A 68 -14.849 -15.764 -17.854 1.00 64.03 C ATOM 1073 O ALA A 68 -13.910 -15.052 -17.494 1.00 11.40 O ATOM 1074 CB ALA A 68 -15.220 -15.745 -20.331 1.00 11.23 C ATOM 0 H ALA A 68 -16.445 -17.759 -19.568 1.00 1.04 H new ATOM 0 HA ALA A 68 -13.730 -16.867 -19.291 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -14.609 -14.845 -20.398 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -15.107 -16.328 -21.245 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -16.266 -15.466 -20.206 1.00 11.23 H new ATOM 1080 N ILE A 69 -15.972 -15.889 -17.163 1.00 52.42 N ATOM 1081 CA ILE A 69 -16.194 -15.173 -15.918 1.00 0.05 C ATOM 1082 C ILE A 69 -15.961 -16.099 -14.734 1.00 34.51 C ATOM 1083 O ILE A 69 -16.449 -17.231 -14.716 1.00 0.24 O ATOM 1084 CB ILE A 69 -17.631 -14.602 -15.850 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -17.904 -13.684 -17.047 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -17.858 -13.860 -14.540 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -16.950 -12.514 -17.158 1.00 43.35 C ATOM 0 H ILE A 69 -16.749 -16.485 -17.447 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.489 -14.343 -15.879 1.00 0.05 H new ATOM 0 HB ILE A 69 -18.331 -15.437 -15.891 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -17.848 -14.273 -17.963 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -18.923 -13.303 -16.974 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -18.875 -13.468 -14.515 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -17.713 -14.545 -13.704 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -17.149 -13.036 -14.461 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -17.210 -11.914 -18.030 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -17.021 -11.900 -16.260 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -15.930 -12.885 -17.264 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.186 -15.634 -13.766 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.927 -16.406 -12.560 1.00 45.13 C ATOM 1101 C GLN A 70 -16.096 -16.281 -11.590 1.00 54.23 C ATOM 1102 O GLN A 70 -16.120 -15.400 -10.732 1.00 20.23 O ATOM 1103 CB GLN A 70 -13.619 -15.964 -11.884 1.00 3.32 C ATOM 1104 CG GLN A 70 -12.360 -16.529 -12.538 1.00 45.50 C ATOM 1105 CD GLN A 70 -12.150 -16.065 -13.969 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -12.527 -14.952 -14.346 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -11.533 -16.915 -14.776 1.00 43.43 N ATOM 0 H GLN A 70 -14.725 -14.725 -13.792 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.818 -17.452 -12.847 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -13.565 -14.875 -11.897 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.641 -16.270 -10.838 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -11.493 -16.243 -11.942 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -12.412 -17.618 -12.523 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -11.237 -17.826 -14.427 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -11.354 -16.658 -15.747 1.00 43.43 H new ATOM 1116 N ILE A 71 -17.075 -17.158 -11.756 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.263 -17.159 -10.913 1.00 32.34 C ATOM 1118 C ILE A 71 -18.120 -18.196 -9.801 1.00 21.45 C ATOM 1119 O ILE A 71 -17.957 -19.388 -10.061 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.532 -17.447 -11.757 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.758 -17.696 -10.868 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.302 -18.626 -12.691 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.319 -16.452 -10.209 1.00 61.50 C ATOM 0 H ILE A 71 -17.070 -17.884 -12.473 1.00 33.52 H new ATOM 0 HA ILE A 71 -18.367 -16.172 -10.462 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.733 -16.560 -12.358 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.541 -18.157 -11.471 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.489 -18.413 -10.092 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.205 -18.810 -13.273 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.475 -18.401 -13.365 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.061 -19.513 -12.105 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -22.182 -16.721 -9.600 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.555 -16.000 -9.576 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.623 -15.740 -10.976 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.155 -17.730 -8.561 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.057 -18.611 -7.407 1.00 11.31 C ATOM 1137 C GLN A 72 -19.211 -18.350 -6.454 1.00 41.51 C ATOM 1138 O GLN A 72 -19.364 -17.246 -5.944 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.723 -18.397 -6.681 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.504 -18.746 -7.519 1.00 75.12 C ATOM 1141 CD GLN A 72 -15.422 -20.223 -7.845 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.877 -21.071 -7.076 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.832 -20.544 -8.983 1.00 23.21 N ATOM 0 H GLN A 72 -18.251 -16.742 -8.328 1.00 4.42 H new ATOM 0 HA GLN A 72 -18.105 -19.643 -7.753 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.652 -17.354 -6.371 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.713 -19.001 -5.774 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.530 -18.174 -8.447 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -14.603 -18.445 -6.985 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.468 -19.812 -9.593 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -14.741 -21.524 -9.251 1.00 23.21 H new ATOM 1152 N THR A 73 -20.029 -19.357 -6.222 1.00 51.10 N ATOM 1153 CA THR A 73 -21.155 -19.212 -5.322 1.00 71.51 C ATOM 1154 C THR A 73 -20.771 -19.624 -3.906 1.00 31.34 C ATOM 1155 O THR A 73 -20.291 -20.736 -3.685 1.00 0.24 O ATOM 1156 CB THR A 73 -22.351 -20.048 -5.804 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.919 -21.379 -6.114 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.988 -19.412 -7.030 1.00 60.22 C ATOM 0 H THR A 73 -19.936 -20.282 -6.643 1.00 51.10 H new ATOM 0 HA THR A 73 -21.443 -18.161 -5.315 1.00 71.51 H new ATOM 0 HB THR A 73 -23.094 -20.086 -5.007 1.00 1.24 H new ATOM 0 HG1 THR A 73 -21.189 -21.635 -5.512 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.833 -20.018 -7.357 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.335 -18.409 -6.781 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.253 -19.352 -7.832 1.00 60.22 H new ATOM 1166 N GLY A 74 -20.975 -18.719 -2.958 1.00 12.20 N ATOM 1167 CA GLY A 74 -20.618 -18.987 -1.581 1.00 10.41 C ATOM 1168 C GLY A 74 -21.726 -19.687 -0.821 1.00 15.25 C ATOM 1169 O GLY A 74 -22.897 -19.598 -1.196 1.00 44.31 O ATOM 0 H GLY A 74 -21.384 -17.799 -3.121 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -19.719 -19.603 -1.555 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -20.376 -18.048 -1.082 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.357 -20.380 0.244 1.00 41.31 N ATOM 1174 CA CYS A 75 -22.312 -21.115 1.059 1.00 31.41 C ATOM 1175 C CYS A 75 -22.066 -20.853 2.544 1.00 22.14 C ATOM 1176 O CYS A 75 -21.013 -20.331 2.925 1.00 42.21 O ATOM 1177 CB CYS A 75 -22.214 -22.613 0.758 1.00 54.21 C ATOM 1178 SG CYS A 75 -20.541 -23.291 0.908 1.00 1.04 S ATOM 0 H CYS A 75 -20.392 -20.449 0.567 1.00 41.31 H new ATOM 0 HA CYS A 75 -23.317 -20.771 0.814 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -22.875 -23.153 1.436 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -22.578 -22.794 -0.253 1.00 54.21 H new ATOM 0 HG CYS A 75 -20.562 -24.562 0.637 1.00 1.04 H new ATOM 1184 N LYS A 76 -23.039 -21.199 3.374 1.00 72.44 N ATOM 1185 CA LYS A 76 -22.917 -21.029 4.814 1.00 24.13 C ATOM 1186 C LYS A 76 -22.654 -22.370 5.489 1.00 65.44 C ATOM 1187 O LYS A 76 -23.627 -23.124 5.715 1.00 51.21 O ATOM 1188 CB LYS A 76 -24.189 -20.395 5.383 1.00 54.32 C ATOM 1189 CG LYS A 76 -24.372 -18.933 5.004 1.00 62.33 C ATOM 1190 CD LYS A 76 -23.452 -18.028 5.807 1.00 31.01 C ATOM 1191 CE LYS A 76 -23.772 -18.087 7.295 1.00 51.33 C ATOM 1192 NZ LYS A 76 -22.903 -17.183 8.093 1.00 72.41 N ATOM 1193 OXT LYS A 76 -21.482 -22.669 5.787 1.00 0.00 O ATOM 0 H LYS A 76 -23.926 -21.601 3.072 1.00 72.44 H new ATOM 0 HA LYS A 76 -22.074 -20.367 5.013 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -25.053 -20.961 5.034 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -24.170 -20.479 6.470 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -24.172 -18.804 3.940 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -25.408 -18.640 5.171 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -22.416 -18.324 5.644 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -23.549 -17.002 5.453 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -24.816 -17.816 7.451 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -23.652 -19.110 7.650 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -23.157 -17.256 9.099 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -21.908 -17.457 7.966 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -23.036 -16.202 7.773 1.00 72.41 H new TER 1207 LYS A 76