USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 724 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 34 GLN : amide:sc= -0.0697 X(o=-0.39,f=-0.39) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= -0.321 F(o=-1.8,f=-0.39) USER MOD Set 2.1: A 26 SER OG : rot -119:sc= -0.143 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.588 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.695 (180deg=0.499) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 0.27 (180deg=0.21) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.459 F(o=-1.4,f=-0.46) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0539 F(o=-1.2,f=-0.054) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc=-0.00578 F(o=-1.7!,f=-0.0058) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= 0.617 (180deg=-0.355) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.565 F(o=-1.1,f=-0.57) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0102 (180deg=-0.129) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= 0.319 (180deg=-0.258) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0513 F(o=-2.2,f=-0.051) USER MOD Single : A 55 TYR OH : rot 176:sc= 0.321 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 62 GLN : amide:sc= 0.135 X(o=0.14,f=-0.063) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -11:sc= 0.756 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -127:sc= 0.117 (180deg=-0.5) USER MOD Single : A 72 THR OG1 : rot 112:sc= 0.0307 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0048) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.545 -8.872 0.800 1.00 51.23 N ATOM 2 CA MET A 1 -18.379 -8.891 2.024 1.00 72.24 C ATOM 3 C MET A 1 -18.730 -7.449 2.446 1.00 0.45 C ATOM 4 O MET A 1 -17.818 -6.642 2.624 1.00 21.10 O ATOM 5 CB MET A 1 -17.622 -9.626 3.164 1.00 72.02 C ATOM 6 CG MET A 1 -18.409 -9.758 4.475 1.00 0.32 C ATOM 7 SD MET A 1 -17.501 -10.661 5.748 1.00 73.21 S ATOM 8 CE MET A 1 -18.769 -10.814 7.010 1.00 70.04 C ATOM 0 H1 MET A 1 -17.565 -9.810 0.352 1.00 51.23 H new ATOM 0 H2 MET A 1 -17.918 -8.163 0.137 1.00 51.23 H new ATOM 0 H3 MET A 1 -16.565 -8.629 1.051 1.00 51.23 H new ATOM 0 HA MET A 1 -19.307 -9.426 1.820 1.00 72.24 H new ATOM 0 HB2 MET A 1 -17.350 -10.623 2.817 1.00 72.02 H new ATOM 0 HB3 MET A 1 -16.692 -9.094 3.366 1.00 72.02 H new ATOM 0 HG2 MET A 1 -18.655 -8.764 4.847 1.00 0.32 H new ATOM 0 HG3 MET A 1 -19.352 -10.267 4.278 1.00 0.32 H new ATOM 0 HE1 MET A 1 -18.365 -11.351 7.868 1.00 70.04 H new ATOM 0 HE2 MET A 1 -19.093 -9.821 7.323 1.00 70.04 H new ATOM 0 HE3 MET A 1 -19.620 -11.362 6.606 1.00 70.04 H new ATOM 20 N PRO A 2 -20.050 -7.084 2.591 1.00 30.01 N ATOM 21 CA PRO A 2 -20.460 -5.752 3.096 1.00 25.31 C ATOM 22 C PRO A 2 -20.012 -5.516 4.566 1.00 41.04 C ATOM 23 O PRO A 2 -20.697 -5.904 5.520 1.00 33.32 O ATOM 24 CB PRO A 2 -22.012 -5.760 2.939 1.00 70.44 C ATOM 25 CG PRO A 2 -22.388 -7.211 2.905 1.00 74.13 C ATOM 26 CD PRO A 2 -21.234 -7.914 2.223 1.00 44.01 C ATOM 0 HA PRO A 2 -19.992 -4.934 2.548 1.00 25.31 H new ATOM 0 HB2 PRO A 2 -22.496 -5.246 3.769 1.00 70.44 H new ATOM 0 HB3 PRO A 2 -22.320 -5.251 2.026 1.00 70.44 H new ATOM 0 HG2 PRO A 2 -22.544 -7.599 3.911 1.00 74.13 H new ATOM 0 HG3 PRO A 2 -23.318 -7.362 2.357 1.00 74.13 H new ATOM 0 HD2 PRO A 2 -21.128 -8.941 2.572 1.00 44.01 H new ATOM 0 HD3 PRO A 2 -21.373 -7.957 1.143 1.00 44.01 H new ATOM 34 N SER A 3 -18.814 -4.921 4.712 1.00 54.22 N ATOM 35 CA SER A 3 -18.191 -4.623 6.011 1.00 42.33 C ATOM 36 C SER A 3 -17.252 -3.416 5.860 1.00 44.43 C ATOM 37 O SER A 3 -16.826 -3.085 4.743 1.00 1.50 O ATOM 38 CB SER A 3 -17.388 -5.850 6.520 1.00 73.30 C ATOM 39 OG SER A 3 -16.800 -5.608 7.797 1.00 32.33 O ATOM 0 H SER A 3 -18.244 -4.630 3.917 1.00 54.22 H new ATOM 0 HA SER A 3 -18.972 -4.393 6.735 1.00 42.33 H new ATOM 0 HB2 SER A 3 -18.048 -6.715 6.582 1.00 73.30 H new ATOM 0 HB3 SER A 3 -16.606 -6.096 5.801 1.00 73.30 H new ATOM 0 HG SER A 3 -16.305 -6.403 8.085 1.00 32.33 H new ATOM 45 N GLU A 4 -16.929 -2.772 6.992 1.00 61.32 N ATOM 46 CA GLU A 4 -15.934 -1.693 7.038 1.00 24.44 C ATOM 47 C GLU A 4 -14.519 -2.295 7.055 1.00 72.31 C ATOM 48 O GLU A 4 -13.575 -1.671 6.567 1.00 25.55 O ATOM 49 CB GLU A 4 -16.205 -0.752 8.252 1.00 72.31 C ATOM 50 CG GLU A 4 -15.950 -1.344 9.672 1.00 54.40 C ATOM 51 CD GLU A 4 -14.536 -1.048 10.227 1.00 74.24 C ATOM 52 OE1 GLU A 4 -13.649 -1.926 10.177 1.00 25.13 O ATOM 53 OE2 GLU A 4 -14.304 0.085 10.695 1.00 43.30 O ATOM 0 H GLU A 4 -17.349 -2.984 7.897 1.00 61.32 H new ATOM 0 HA GLU A 4 -16.015 -1.076 6.143 1.00 24.44 H new ATOM 0 HB2 GLU A 4 -15.584 0.137 8.138 1.00 72.31 H new ATOM 0 HB3 GLU A 4 -17.243 -0.424 8.202 1.00 72.31 H new ATOM 0 HG2 GLU A 4 -16.692 -0.942 10.362 1.00 54.40 H new ATOM 0 HG3 GLU A 4 -16.098 -2.423 9.638 1.00 54.40 H new ATOM 60 N GLU A 5 -14.399 -3.538 7.609 1.00 1.32 N ATOM 61 CA GLU A 5 -13.150 -4.333 7.595 1.00 1.42 C ATOM 62 C GLU A 5 -12.709 -4.601 6.154 1.00 51.12 C ATOM 63 O GLU A 5 -11.509 -4.628 5.860 1.00 30.42 O ATOM 64 CB GLU A 5 -13.325 -5.700 8.324 1.00 10.33 C ATOM 65 CG GLU A 5 -13.718 -5.614 9.809 1.00 64.42 C ATOM 66 CD GLU A 5 -13.776 -7.002 10.475 1.00 35.41 C ATOM 67 OE1 GLU A 5 -12.769 -7.439 11.083 1.00 71.30 O ATOM 68 OE2 GLU A 5 -14.818 -7.679 10.369 1.00 3.11 O ATOM 0 H GLU A 5 -15.173 -4.010 8.077 1.00 1.32 H new ATOM 0 HA GLU A 5 -12.394 -3.750 8.121 1.00 1.42 H new ATOM 0 HB2 GLU A 5 -14.085 -6.278 7.798 1.00 10.33 H new ATOM 0 HB3 GLU A 5 -12.391 -6.256 8.245 1.00 10.33 H new ATOM 0 HG2 GLU A 5 -12.999 -4.988 10.338 1.00 64.42 H new ATOM 0 HG3 GLU A 5 -14.690 -5.129 9.899 1.00 64.42 H new ATOM 75 N GLU A 6 -13.720 -4.777 5.272 1.00 62.32 N ATOM 76 CA GLU A 6 -13.520 -5.088 3.858 1.00 53.52 C ATOM 77 C GLU A 6 -12.674 -4.019 3.163 1.00 22.21 C ATOM 78 O GLU A 6 -11.791 -4.355 2.379 1.00 3.12 O ATOM 79 CB GLU A 6 -14.882 -5.238 3.138 1.00 12.00 C ATOM 80 CG GLU A 6 -14.787 -5.757 1.684 1.00 30.31 C ATOM 81 CD GLU A 6 -14.143 -7.152 1.598 1.00 1.22 C ATOM 82 OE1 GLU A 6 -14.853 -8.154 1.833 1.00 63.21 O ATOM 83 OE2 GLU A 6 -12.924 -7.263 1.335 1.00 44.13 O ATOM 0 H GLU A 6 -14.703 -4.704 5.535 1.00 62.32 H new ATOM 0 HA GLU A 6 -12.981 -6.034 3.802 1.00 53.52 H new ATOM 0 HB2 GLU A 6 -15.509 -5.919 3.713 1.00 12.00 H new ATOM 0 HB3 GLU A 6 -15.384 -4.270 3.133 1.00 12.00 H new ATOM 0 HG2 GLU A 6 -15.786 -5.794 1.249 1.00 30.31 H new ATOM 0 HG3 GLU A 6 -14.205 -5.054 1.088 1.00 30.31 H new ATOM 90 N GLU A 7 -12.953 -2.739 3.492 1.00 64.14 N ATOM 91 CA GLU A 7 -12.214 -1.587 2.949 1.00 11.42 C ATOM 92 C GLU A 7 -10.706 -1.775 3.143 1.00 15.23 C ATOM 93 O GLU A 7 -9.952 -1.789 2.182 1.00 64.20 O ATOM 94 CB GLU A 7 -12.695 -0.277 3.629 1.00 42.25 C ATOM 95 CG GLU A 7 -14.184 0.052 3.399 1.00 42.13 C ATOM 96 CD GLU A 7 -14.528 0.320 1.916 1.00 11.20 C ATOM 97 OE1 GLU A 7 -14.676 -0.651 1.131 1.00 3.42 O ATOM 98 OE2 GLU A 7 -14.666 1.504 1.526 1.00 4.45 O ATOM 0 H GLU A 7 -13.696 -2.480 4.141 1.00 64.14 H new ATOM 0 HA GLU A 7 -12.412 -1.517 1.879 1.00 11.42 H new ATOM 0 HB2 GLU A 7 -12.513 -0.351 4.701 1.00 42.25 H new ATOM 0 HB3 GLU A 7 -12.091 0.552 3.260 1.00 42.25 H new ATOM 0 HG2 GLU A 7 -14.792 -0.776 3.762 1.00 42.13 H new ATOM 0 HG3 GLU A 7 -14.451 0.927 3.991 1.00 42.13 H new ATOM 105 N LYS A 8 -10.324 -2.059 4.394 1.00 24.14 N ATOM 106 CA LYS A 8 -8.919 -2.219 4.799 1.00 74.32 C ATOM 107 C LYS A 8 -8.302 -3.437 4.078 1.00 24.12 C ATOM 108 O LYS A 8 -7.190 -3.351 3.552 1.00 11.51 O ATOM 109 CB LYS A 8 -8.795 -2.377 6.350 1.00 3.32 C ATOM 110 CG LYS A 8 -9.169 -1.125 7.207 1.00 50.52 C ATOM 111 CD LYS A 8 -10.663 -0.720 7.110 1.00 55.15 C ATOM 112 CE LYS A 8 -11.092 0.356 8.127 1.00 50.51 C ATOM 113 NZ LYS A 8 -11.149 -0.168 9.518 1.00 74.12 N ATOM 0 H LYS A 8 -10.985 -2.185 5.161 1.00 24.14 H new ATOM 0 HA LYS A 8 -8.372 -1.321 4.512 1.00 74.32 H new ATOM 0 HB2 LYS A 8 -9.430 -3.206 6.661 1.00 3.32 H new ATOM 0 HB3 LYS A 8 -7.768 -2.657 6.584 1.00 3.32 H new ATOM 0 HG2 LYS A 8 -8.924 -1.325 8.250 1.00 50.52 H new ATOM 0 HG3 LYS A 8 -8.553 -0.283 6.890 1.00 50.52 H new ATOM 0 HD2 LYS A 8 -10.864 -0.354 6.103 1.00 55.15 H new ATOM 0 HD3 LYS A 8 -11.279 -1.608 7.255 1.00 55.15 H new ATOM 0 HE2 LYS A 8 -10.393 1.191 8.085 1.00 50.51 H new ATOM 0 HE3 LYS A 8 -12.071 0.746 7.848 1.00 50.51 H new ATOM 0 HZ1 LYS A 8 -11.258 0.624 10.183 1.00 74.12 H new ATOM 0 HZ2 LYS A 8 -11.959 -0.813 9.613 1.00 74.12 H new ATOM 0 HZ3 LYS A 8 -10.270 -0.681 9.732 1.00 74.12 H new ATOM 127 N ARG A 9 -9.076 -4.550 4.020 1.00 71.35 N ATOM 128 CA ARG A 9 -8.650 -5.815 3.366 1.00 3.32 C ATOM 129 C ARG A 9 -8.338 -5.607 1.872 1.00 10.43 C ATOM 130 O ARG A 9 -7.434 -6.247 1.331 1.00 51.20 O ATOM 131 CB ARG A 9 -9.731 -6.930 3.513 1.00 63.51 C ATOM 132 CG ARG A 9 -9.945 -7.428 4.950 1.00 21.32 C ATOM 133 CD ARG A 9 -10.868 -8.655 5.027 1.00 21.24 C ATOM 134 NE ARG A 9 -12.252 -8.371 4.575 1.00 31.12 N ATOM 135 CZ ARG A 9 -13.364 -8.641 5.290 1.00 54.40 C ATOM 136 NH1 ARG A 9 -13.279 -9.203 6.502 1.00 43.03 N ATOM 137 NH2 ARG A 9 -14.568 -8.364 4.793 1.00 23.44 N ATOM 0 H ARG A 9 -10.011 -4.597 4.424 1.00 71.35 H new ATOM 0 HA ARG A 9 -7.741 -6.133 3.876 1.00 3.32 H new ATOM 0 HB2 ARG A 9 -10.678 -6.552 3.129 1.00 63.51 H new ATOM 0 HB3 ARG A 9 -9.448 -7.777 2.887 1.00 63.51 H new ATOM 0 HG2 ARG A 9 -8.980 -7.678 5.390 1.00 21.32 H new ATOM 0 HG3 ARG A 9 -10.369 -6.622 5.549 1.00 21.32 H new ATOM 0 HD2 ARG A 9 -10.450 -9.456 4.417 1.00 21.24 H new ATOM 0 HD3 ARG A 9 -10.895 -9.018 6.054 1.00 21.24 H new ATOM 0 HE ARG A 9 -12.372 -7.941 3.658 1.00 31.12 H new ATOM 0 HH11 ARG A 9 -12.366 -9.432 6.895 1.00 43.03 H new ATOM 0 HH12 ARG A 9 -14.127 -9.402 7.032 1.00 43.03 H new ATOM 0 HH21 ARG A 9 -14.653 -7.945 3.867 1.00 23.44 H new ATOM 0 HH22 ARG A 9 -15.405 -8.571 5.338 1.00 23.44 H new ATOM 151 N GLN A 10 -9.104 -4.712 1.229 1.00 50.22 N ATOM 152 CA GLN A 10 -8.934 -4.373 -0.194 1.00 25.31 C ATOM 153 C GLN A 10 -7.698 -3.475 -0.391 1.00 13.20 C ATOM 154 O GLN A 10 -6.789 -3.838 -1.134 1.00 24.23 O ATOM 155 CB GLN A 10 -10.210 -3.668 -0.734 1.00 35.53 C ATOM 156 CG GLN A 10 -11.476 -4.547 -0.740 1.00 63.40 C ATOM 157 CD GLN A 10 -12.724 -3.752 -1.110 1.00 22.23 C ATOM 158 OE1 GLN A 10 -13.344 -3.113 -0.124 1.00 72.21 O flip ATOM 159 NE2 GLN A 10 -13.099 -3.664 -2.278 1.00 25.43 N flip ATOM 0 H GLN A 10 -9.861 -4.201 1.682 1.00 50.22 H new ATOM 0 HA GLN A 10 -8.781 -5.295 -0.755 1.00 25.31 H new ATOM 0 HB2 GLN A 10 -10.402 -2.781 -0.130 1.00 35.53 H new ATOM 0 HB3 GLN A 10 -10.017 -3.325 -1.751 1.00 35.53 H new ATOM 0 HG2 GLN A 10 -11.345 -5.366 -1.448 1.00 63.40 H new ATOM 0 HG3 GLN A 10 -11.611 -4.995 0.245 1.00 63.40 H new ATOM 0 HE21 GLN A 10 -12.601 -4.167 -3.013 1.00 25.43 H new ATOM 0 HE22 GLN A 10 -13.907 -3.088 -2.512 1.00 25.43 H new ATOM 168 N VAL A 11 -7.660 -2.337 0.339 1.00 23.24 N ATOM 169 CA VAL A 11 -6.657 -1.264 0.139 1.00 73.21 C ATOM 170 C VAL A 11 -5.220 -1.763 0.418 1.00 52.22 C ATOM 171 O VAL A 11 -4.306 -1.506 -0.372 1.00 1.35 O ATOM 172 CB VAL A 11 -6.963 -0.011 1.053 1.00 73.20 C ATOM 173 CG1 VAL A 11 -5.990 1.147 0.778 1.00 74.23 C ATOM 174 CG2 VAL A 11 -8.407 0.483 0.879 1.00 4.04 C ATOM 0 H VAL A 11 -8.325 -2.136 1.085 1.00 23.24 H new ATOM 0 HA VAL A 11 -6.726 -0.967 -0.907 1.00 73.21 H new ATOM 0 HB VAL A 11 -6.829 -0.345 2.082 1.00 73.20 H new ATOM 0 HG11 VAL A 11 -6.234 1.989 1.426 1.00 74.23 H new ATOM 0 HG12 VAL A 11 -4.969 0.820 0.977 1.00 74.23 H new ATOM 0 HG13 VAL A 11 -6.076 1.455 -0.264 1.00 74.23 H new ATOM 0 HG21 VAL A 11 -8.577 1.345 1.524 1.00 4.04 H new ATOM 0 HG22 VAL A 11 -8.571 0.769 -0.160 1.00 4.04 H new ATOM 0 HG23 VAL A 11 -9.099 -0.314 1.149 1.00 4.04 H new ATOM 184 N LYS A 12 -5.046 -2.490 1.548 1.00 21.31 N ATOM 185 CA LYS A 12 -3.736 -3.047 1.959 1.00 23.22 C ATOM 186 C LYS A 12 -3.267 -4.129 0.973 1.00 4.42 C ATOM 187 O LYS A 12 -2.067 -4.278 0.738 1.00 24.41 O ATOM 188 CB LYS A 12 -3.808 -3.648 3.391 1.00 4.31 C ATOM 189 CG LYS A 12 -4.182 -2.640 4.496 1.00 2.45 C ATOM 190 CD LYS A 12 -4.256 -3.291 5.901 1.00 4.55 C ATOM 191 CE LYS A 12 -5.317 -4.402 5.998 1.00 11.43 C ATOM 192 NZ LYS A 12 -5.460 -4.921 7.385 1.00 24.51 N ATOM 0 H LYS A 12 -5.804 -2.705 2.195 1.00 21.31 H new ATOM 0 HA LYS A 12 -3.018 -2.227 1.956 1.00 23.22 H new ATOM 0 HB2 LYS A 12 -4.538 -4.457 3.394 1.00 4.31 H new ATOM 0 HB3 LYS A 12 -2.842 -4.090 3.634 1.00 4.31 H new ATOM 0 HG2 LYS A 12 -3.447 -1.835 4.511 1.00 2.45 H new ATOM 0 HG3 LYS A 12 -5.145 -2.188 4.259 1.00 2.45 H new ATOM 0 HD2 LYS A 12 -3.280 -3.706 6.154 1.00 4.55 H new ATOM 0 HD3 LYS A 12 -4.477 -2.521 6.640 1.00 4.55 H new ATOM 0 HE2 LYS A 12 -6.277 -4.016 5.655 1.00 11.43 H new ATOM 0 HE3 LYS A 12 -5.046 -5.221 5.331 1.00 11.43 H new ATOM 0 HZ1 LYS A 12 -6.185 -5.667 7.404 1.00 24.51 H new ATOM 0 HZ2 LYS A 12 -4.551 -5.313 7.704 1.00 24.51 H new ATOM 0 HZ3 LYS A 12 -5.744 -4.146 8.018 1.00 24.51 H new ATOM 206 N GLN A 13 -4.239 -4.878 0.406 1.00 31.43 N ATOM 207 CA GLN A 13 -3.961 -5.956 -0.560 1.00 34.42 C ATOM 208 C GLN A 13 -3.487 -5.363 -1.895 1.00 24.54 C ATOM 209 O GLN A 13 -2.511 -5.834 -2.461 1.00 44.30 O ATOM 210 CB GLN A 13 -5.213 -6.843 -0.776 1.00 10.32 C ATOM 211 CG GLN A 13 -4.968 -8.121 -1.601 1.00 42.11 C ATOM 212 CD GLN A 13 -6.238 -8.941 -1.885 1.00 64.13 C ATOM 213 OE1 GLN A 13 -7.368 -8.275 -2.117 1.00 32.30 O flip ATOM 214 NE2 GLN A 13 -6.196 -10.172 -1.943 1.00 31.43 N flip ATOM 0 H GLN A 13 -5.231 -4.751 0.606 1.00 31.43 H new ATOM 0 HA GLN A 13 -3.168 -6.584 -0.153 1.00 34.42 H new ATOM 0 HB2 GLN A 13 -5.611 -7.128 0.198 1.00 10.32 H new ATOM 0 HB3 GLN A 13 -5.980 -6.249 -1.273 1.00 10.32 H new ATOM 0 HG2 GLN A 13 -4.508 -7.845 -2.550 1.00 42.11 H new ATOM 0 HG3 GLN A 13 -4.253 -8.751 -1.071 1.00 42.11 H new ATOM 0 HE21 GLN A 13 -5.320 -10.662 -1.762 1.00 31.43 H new ATOM 0 HE22 GLN A 13 -7.038 -10.701 -2.172 1.00 31.43 H new ATOM 223 N VAL A 14 -4.175 -4.299 -2.363 1.00 45.40 N ATOM 224 CA VAL A 14 -3.775 -3.557 -3.580 1.00 22.20 C ATOM 225 C VAL A 14 -2.341 -3.025 -3.396 1.00 11.51 C ATOM 226 O VAL A 14 -1.456 -3.289 -4.212 1.00 74.41 O ATOM 227 CB VAL A 14 -4.746 -2.335 -3.881 1.00 74.33 C ATOM 228 CG1 VAL A 14 -4.285 -1.538 -5.122 1.00 63.22 C ATOM 229 CG2 VAL A 14 -6.215 -2.785 -4.056 1.00 32.14 C ATOM 0 H VAL A 14 -5.014 -3.933 -1.914 1.00 45.40 H new ATOM 0 HA VAL A 14 -3.831 -4.245 -4.424 1.00 22.20 H new ATOM 0 HB VAL A 14 -4.697 -1.683 -3.009 1.00 74.33 H new ATOM 0 HG11 VAL A 14 -4.972 -0.710 -5.298 1.00 63.22 H new ATOM 0 HG12 VAL A 14 -3.282 -1.147 -4.951 1.00 63.22 H new ATOM 0 HG13 VAL A 14 -4.276 -2.194 -5.993 1.00 63.22 H new ATOM 0 HG21 VAL A 14 -6.840 -1.916 -4.260 1.00 32.14 H new ATOM 0 HG22 VAL A 14 -6.284 -3.485 -4.889 1.00 32.14 H new ATOM 0 HG23 VAL A 14 -6.558 -3.272 -3.143 1.00 32.14 H new ATOM 239 N ALA A 15 -2.140 -2.360 -2.247 1.00 50.25 N ATOM 240 CA ALA A 15 -0.898 -1.674 -1.888 1.00 72.41 C ATOM 241 C ALA A 15 0.315 -2.628 -1.875 1.00 42.13 C ATOM 242 O ALA A 15 1.368 -2.312 -2.457 1.00 4.50 O ATOM 243 CB ALA A 15 -1.087 -0.997 -0.523 1.00 14.21 C ATOM 0 H ALA A 15 -2.858 -2.285 -1.527 1.00 50.25 H new ATOM 0 HA ALA A 15 -0.682 -0.922 -2.647 1.00 72.41 H new ATOM 0 HB1 ALA A 15 -0.169 -0.481 -0.242 1.00 14.21 H new ATOM 0 HB2 ALA A 15 -1.903 -0.277 -0.584 1.00 14.21 H new ATOM 0 HB3 ALA A 15 -1.324 -1.751 0.228 1.00 14.21 H new ATOM 249 N LYS A 16 0.134 -3.814 -1.249 1.00 43.42 N ATOM 250 CA LYS A 16 1.194 -4.831 -1.152 1.00 55.34 C ATOM 251 C LYS A 16 1.475 -5.447 -2.531 1.00 62.41 C ATOM 252 O LYS A 16 2.626 -5.692 -2.863 1.00 52.34 O ATOM 253 CB LYS A 16 0.846 -5.940 -0.110 1.00 43.13 C ATOM 254 CG LYS A 16 -0.324 -6.867 -0.488 1.00 11.31 C ATOM 255 CD LYS A 16 -0.626 -7.961 0.566 1.00 74.05 C ATOM 256 CE LYS A 16 0.507 -8.989 0.732 1.00 53.33 C ATOM 257 NZ LYS A 16 0.140 -10.046 1.723 1.00 40.21 N ATOM 0 H LYS A 16 -0.742 -4.086 -0.803 1.00 43.42 H new ATOM 0 HA LYS A 16 2.097 -4.331 -0.800 1.00 55.34 H new ATOM 0 HB2 LYS A 16 1.733 -6.552 0.052 1.00 43.13 H new ATOM 0 HB3 LYS A 16 0.613 -5.460 0.840 1.00 43.13 H new ATOM 0 HG2 LYS A 16 -1.219 -6.263 -0.637 1.00 11.31 H new ATOM 0 HG3 LYS A 16 -0.101 -7.347 -1.441 1.00 11.31 H new ATOM 0 HD2 LYS A 16 -0.816 -7.484 1.528 1.00 74.05 H new ATOM 0 HD3 LYS A 16 -1.540 -8.483 0.283 1.00 74.05 H new ATOM 0 HE2 LYS A 16 0.726 -9.451 -0.231 1.00 53.33 H new ATOM 0 HE3 LYS A 16 1.416 -8.483 1.057 1.00 53.33 H new ATOM 0 HZ1 LYS A 16 0.923 -10.724 1.813 1.00 40.21 H new ATOM 0 HZ2 LYS A 16 -0.045 -9.606 2.647 1.00 40.21 H new ATOM 0 HZ3 LYS A 16 -0.714 -10.544 1.399 1.00 40.21 H new ATOM 271 N GLU A 17 0.402 -5.635 -3.344 1.00 50.11 N ATOM 272 CA GLU A 17 0.504 -6.205 -4.706 1.00 11.43 C ATOM 273 C GLU A 17 1.312 -5.288 -5.627 1.00 31.24 C ATOM 274 O GLU A 17 2.029 -5.774 -6.492 1.00 53.14 O ATOM 275 CB GLU A 17 -0.895 -6.481 -5.330 1.00 72.51 C ATOM 276 CG GLU A 17 -1.637 -7.684 -4.722 1.00 2.25 C ATOM 277 CD GLU A 17 -2.977 -7.971 -5.416 1.00 53.41 C ATOM 278 OE1 GLU A 17 -4.037 -7.547 -4.903 1.00 60.40 O ATOM 279 OE2 GLU A 17 -2.974 -8.610 -6.496 1.00 4.35 O ATOM 0 H GLU A 17 -0.551 -5.396 -3.072 1.00 50.11 H new ATOM 0 HA GLU A 17 1.023 -7.158 -4.609 1.00 11.43 H new ATOM 0 HB2 GLU A 17 -1.513 -5.591 -5.213 1.00 72.51 H new ATOM 0 HB3 GLU A 17 -0.775 -6.647 -6.401 1.00 72.51 H new ATOM 0 HG2 GLU A 17 -1.002 -8.568 -4.788 1.00 2.25 H new ATOM 0 HG3 GLU A 17 -1.814 -7.498 -3.663 1.00 2.25 H new ATOM 286 N LYS A 18 1.200 -3.963 -5.421 1.00 24.32 N ATOM 287 CA LYS A 18 1.953 -2.968 -6.207 1.00 62.04 C ATOM 288 C LYS A 18 3.443 -3.024 -5.857 1.00 32.14 C ATOM 289 O LYS A 18 4.306 -2.820 -6.714 1.00 4.43 O ATOM 290 CB LYS A 18 1.404 -1.543 -5.976 1.00 34.54 C ATOM 291 CG LYS A 18 -0.094 -1.373 -6.284 1.00 64.54 C ATOM 292 CD LYS A 18 -0.536 -1.914 -7.669 1.00 23.41 C ATOM 293 CE LYS A 18 0.122 -1.182 -8.851 1.00 31.13 C ATOM 294 NZ LYS A 18 -0.392 -1.690 -10.153 1.00 12.42 N ATOM 0 H LYS A 18 0.591 -3.555 -4.712 1.00 24.32 H new ATOM 0 HA LYS A 18 1.829 -3.213 -7.262 1.00 62.04 H new ATOM 0 HB2 LYS A 18 1.581 -1.264 -4.937 1.00 34.54 H new ATOM 0 HB3 LYS A 18 1.969 -0.846 -6.594 1.00 34.54 H new ATOM 0 HG2 LYS A 18 -0.670 -1.880 -5.510 1.00 64.54 H new ATOM 0 HG3 LYS A 18 -0.345 -0.314 -6.226 1.00 64.54 H new ATOM 0 HD2 LYS A 18 -0.295 -2.975 -7.730 1.00 23.41 H new ATOM 0 HD3 LYS A 18 -1.619 -1.827 -7.756 1.00 23.41 H new ATOM 0 HE2 LYS A 18 -0.072 -0.112 -8.773 1.00 31.13 H new ATOM 0 HE3 LYS A 18 1.203 -1.314 -8.807 1.00 31.13 H new ATOM 0 HZ1 LYS A 18 0.069 -1.178 -10.932 1.00 12.42 H new ATOM 0 HZ2 LYS A 18 -0.185 -2.706 -10.236 1.00 12.42 H new ATOM 0 HZ3 LYS A 18 -1.420 -1.541 -10.202 1.00 12.42 H new ATOM 308 N LEU A 19 3.719 -3.292 -4.574 1.00 21.44 N ATOM 309 CA LEU A 19 5.078 -3.528 -4.071 1.00 52.45 C ATOM 310 C LEU A 19 5.614 -4.905 -4.526 1.00 53.03 C ATOM 311 O LEU A 19 6.821 -5.108 -4.574 1.00 30.25 O ATOM 312 CB LEU A 19 5.083 -3.398 -2.524 1.00 50.22 C ATOM 313 CG LEU A 19 4.657 -2.002 -1.965 1.00 64.34 C ATOM 314 CD1 LEU A 19 4.899 -1.912 -0.445 1.00 23.24 C ATOM 315 CD2 LEU A 19 5.362 -0.856 -2.721 1.00 74.31 C ATOM 0 H LEU A 19 3.001 -3.351 -3.852 1.00 21.44 H new ATOM 0 HA LEU A 19 5.748 -2.776 -4.489 1.00 52.45 H new ATOM 0 HB2 LEU A 19 4.416 -4.154 -2.111 1.00 50.22 H new ATOM 0 HB3 LEU A 19 6.085 -3.625 -2.161 1.00 50.22 H new ATOM 0 HG LEU A 19 3.586 -1.890 -2.132 1.00 64.34 H new ATOM 0 HD11 LEU A 19 4.593 -0.930 -0.085 1.00 23.24 H new ATOM 0 HD12 LEU A 19 4.317 -2.681 0.062 1.00 23.24 H new ATOM 0 HD13 LEU A 19 5.958 -2.061 -0.236 1.00 23.24 H new ATOM 0 HD21 LEU A 19 5.044 0.102 -2.308 1.00 74.31 H new ATOM 0 HD22 LEU A 19 6.442 -0.958 -2.612 1.00 74.31 H new ATOM 0 HD23 LEU A 19 5.098 -0.901 -3.778 1.00 74.31 H new ATOM 327 N LEU A 20 4.691 -5.832 -4.837 1.00 63.24 N ATOM 328 CA LEU A 20 5.013 -7.169 -5.387 1.00 30.12 C ATOM 329 C LEU A 20 5.172 -7.125 -6.923 1.00 25.32 C ATOM 330 O LEU A 20 5.725 -8.056 -7.512 1.00 4.10 O ATOM 331 CB LEU A 20 3.926 -8.202 -4.957 1.00 62.31 C ATOM 332 CG LEU A 20 3.845 -8.508 -3.425 1.00 3.45 C ATOM 333 CD1 LEU A 20 2.647 -9.424 -3.090 1.00 50.12 C ATOM 334 CD2 LEU A 20 5.172 -9.096 -2.895 1.00 75.44 C ATOM 0 H LEU A 20 3.690 -5.677 -4.714 1.00 63.24 H new ATOM 0 HA LEU A 20 5.972 -7.487 -4.977 1.00 30.12 H new ATOM 0 HB2 LEU A 20 2.954 -7.836 -5.287 1.00 62.31 H new ATOM 0 HB3 LEU A 20 4.111 -9.137 -5.486 1.00 62.31 H new ATOM 0 HG LEU A 20 3.680 -7.560 -2.914 1.00 3.45 H new ATOM 0 HD11 LEU A 20 2.623 -9.614 -2.017 1.00 50.12 H new ATOM 0 HD12 LEU A 20 1.720 -8.936 -3.392 1.00 50.12 H new ATOM 0 HD13 LEU A 20 2.751 -10.369 -3.624 1.00 50.12 H new ATOM 0 HD21 LEU A 20 5.080 -9.297 -1.828 1.00 75.44 H new ATOM 0 HD22 LEU A 20 5.394 -10.024 -3.421 1.00 75.44 H new ATOM 0 HD23 LEU A 20 5.979 -8.382 -3.062 1.00 75.44 H new ATOM 346 N GLU A 21 4.661 -6.057 -7.571 1.00 63.42 N ATOM 347 CA GLU A 21 4.957 -5.788 -8.999 1.00 72.25 C ATOM 348 C GLU A 21 6.420 -5.317 -9.114 1.00 2.15 C ATOM 349 O GLU A 21 7.169 -5.751 -9.997 1.00 32.32 O ATOM 350 CB GLU A 21 4.008 -4.704 -9.604 1.00 25.23 C ATOM 351 CG GLU A 21 2.493 -4.981 -9.475 1.00 13.32 C ATOM 352 CD GLU A 21 2.067 -6.380 -9.967 1.00 34.30 C ATOM 353 OE1 GLU A 21 1.897 -7.299 -9.133 1.00 33.24 O ATOM 354 OE2 GLU A 21 1.902 -6.568 -11.190 1.00 24.53 O ATOM 0 H GLU A 21 4.046 -5.370 -7.134 1.00 63.42 H new ATOM 0 HA GLU A 21 4.797 -6.707 -9.562 1.00 72.25 H new ATOM 0 HB2 GLU A 21 4.225 -3.750 -9.123 1.00 25.23 H new ATOM 0 HB3 GLU A 21 4.247 -4.589 -10.661 1.00 25.23 H new ATOM 0 HG2 GLU A 21 2.201 -4.870 -8.431 1.00 13.32 H new ATOM 0 HG3 GLU A 21 1.947 -4.226 -10.041 1.00 13.32 H new ATOM 361 N GLN A 22 6.795 -4.419 -8.190 1.00 12.44 N ATOM 362 CA GLN A 22 8.126 -3.792 -8.139 1.00 41.01 C ATOM 363 C GLN A 22 9.173 -4.746 -7.523 1.00 52.03 C ATOM 364 O GLN A 22 10.347 -4.716 -7.903 1.00 1.31 O ATOM 365 CB GLN A 22 8.043 -2.478 -7.308 1.00 61.44 C ATOM 366 CG GLN A 22 7.027 -1.449 -7.848 1.00 64.02 C ATOM 367 CD GLN A 22 6.916 -0.191 -6.976 1.00 62.05 C ATOM 368 OE1 GLN A 22 6.041 -0.221 -5.982 1.00 23.44 O flip ATOM 369 NE2 GLN A 22 7.624 0.795 -7.188 1.00 23.51 N flip ATOM 0 H GLN A 22 6.173 -4.103 -7.446 1.00 12.44 H new ATOM 0 HA GLN A 22 8.443 -3.566 -9.157 1.00 41.01 H new ATOM 0 HB2 GLN A 22 7.779 -2.728 -6.280 1.00 61.44 H new ATOM 0 HB3 GLN A 22 9.030 -2.016 -7.280 1.00 61.44 H new ATOM 0 HG2 GLN A 22 7.316 -1.158 -8.858 1.00 64.02 H new ATOM 0 HG3 GLN A 22 6.047 -1.920 -7.921 1.00 64.02 H new ATOM 0 HE21 GLN A 22 8.289 0.789 -7.961 1.00 23.51 H new ATOM 0 HE22 GLN A 22 7.545 1.618 -6.590 1.00 23.51 H new ATOM 378 N SER A 23 8.724 -5.586 -6.571 1.00 52.11 N ATOM 379 CA SER A 23 9.598 -6.470 -5.776 1.00 61.31 C ATOM 380 C SER A 23 8.796 -7.707 -5.261 1.00 45.25 C ATOM 381 O SER A 23 8.317 -7.705 -4.116 1.00 61.45 O ATOM 382 CB SER A 23 10.200 -5.673 -4.586 1.00 32.53 C ATOM 383 OG SER A 23 10.962 -4.555 -5.014 1.00 30.22 O ATOM 0 H SER A 23 7.737 -5.671 -6.330 1.00 52.11 H new ATOM 0 HA SER A 23 10.411 -6.832 -6.406 1.00 61.31 H new ATOM 0 HB2 SER A 23 9.394 -5.333 -3.936 1.00 32.53 H new ATOM 0 HB3 SER A 23 10.831 -6.334 -3.992 1.00 32.53 H new ATOM 0 HG SER A 23 11.319 -4.084 -4.232 1.00 30.22 H new ATOM 389 N PRO A 24 8.590 -8.765 -6.115 1.00 72.21 N ATOM 390 CA PRO A 24 7.827 -9.989 -5.717 1.00 43.11 C ATOM 391 C PRO A 24 8.594 -10.892 -4.728 1.00 44.43 C ATOM 392 O PRO A 24 7.979 -11.623 -3.940 1.00 64.51 O ATOM 393 CB PRO A 24 7.575 -10.700 -7.070 1.00 51.31 C ATOM 394 CG PRO A 24 8.707 -10.261 -7.954 1.00 22.32 C ATOM 395 CD PRO A 24 9.026 -8.835 -7.542 1.00 24.21 C ATOM 0 HA PRO A 24 6.912 -9.744 -5.177 1.00 43.11 H new ATOM 0 HB2 PRO A 24 7.564 -11.783 -6.951 1.00 51.31 H new ATOM 0 HB3 PRO A 24 6.611 -10.416 -7.492 1.00 51.31 H new ATOM 0 HG2 PRO A 24 9.575 -10.908 -7.827 1.00 22.32 H new ATOM 0 HG3 PRO A 24 8.424 -10.310 -9.005 1.00 22.32 H new ATOM 0 HD2 PRO A 24 10.089 -8.618 -7.646 1.00 24.21 H new ATOM 0 HD3 PRO A 24 8.492 -8.112 -8.159 1.00 24.21 H new ATOM 403 N ASN A 25 9.937 -10.831 -4.780 1.00 73.53 N ATOM 404 CA ASN A 25 10.824 -11.669 -3.938 1.00 55.35 C ATOM 405 C ASN A 25 11.032 -11.046 -2.542 1.00 15.34 C ATOM 406 O ASN A 25 11.599 -11.693 -1.652 1.00 31.45 O ATOM 407 CB ASN A 25 12.202 -11.900 -4.644 1.00 71.31 C ATOM 408 CG ASN A 25 12.159 -12.803 -5.892 1.00 52.35 C ATOM 409 OD1 ASN A 25 11.088 -12.746 -6.677 1.00 64.52 O flip ATOM 410 ND2 ASN A 25 13.108 -13.544 -6.163 1.00 63.14 N flip ATOM 0 H ASN A 25 10.442 -10.202 -5.404 1.00 73.53 H new ATOM 0 HA ASN A 25 10.335 -12.634 -3.804 1.00 55.35 H new ATOM 0 HB2 ASN A 25 12.612 -10.931 -4.930 1.00 71.31 H new ATOM 0 HB3 ASN A 25 12.892 -12.337 -3.923 1.00 71.31 H new ATOM 0 HD21 ASN A 25 13.922 -13.575 -5.549 1.00 63.14 H new ATOM 0 HD22 ASN A 25 13.078 -14.125 -7.001 1.00 63.14 H new ATOM 417 N SER A 26 10.579 -9.797 -2.359 1.00 22.44 N ATOM 418 CA SER A 26 10.742 -9.056 -1.099 1.00 53.20 C ATOM 419 C SER A 26 9.562 -9.311 -0.148 1.00 62.45 C ATOM 420 O SER A 26 8.420 -9.486 -0.591 1.00 64.33 O ATOM 421 CB SER A 26 10.883 -7.556 -1.409 1.00 13.44 C ATOM 422 OG SER A 26 11.966 -7.325 -2.295 1.00 43.40 O ATOM 0 H SER A 26 10.088 -9.271 -3.082 1.00 22.44 H new ATOM 0 HA SER A 26 11.643 -9.406 -0.596 1.00 53.20 H new ATOM 0 HB2 SER A 26 9.959 -7.183 -1.851 1.00 13.44 H new ATOM 0 HB3 SER A 26 11.040 -7.002 -0.484 1.00 13.44 H new ATOM 0 HG SER A 26 12.628 -6.748 -1.859 1.00 43.40 H new ATOM 428 N LYS A 27 9.856 -9.330 1.166 1.00 71.43 N ATOM 429 CA LYS A 27 8.862 -9.583 2.218 1.00 54.51 C ATOM 430 C LYS A 27 8.223 -8.250 2.659 1.00 62.41 C ATOM 431 O LYS A 27 8.867 -7.428 3.316 1.00 14.03 O ATOM 432 CB LYS A 27 9.537 -10.308 3.418 1.00 32.42 C ATOM 433 CG LYS A 27 8.606 -10.737 4.591 1.00 21.41 C ATOM 434 CD LYS A 27 7.637 -11.923 4.285 1.00 54.41 C ATOM 435 CE LYS A 27 6.317 -11.514 3.595 1.00 54.34 C ATOM 436 NZ LYS A 27 5.513 -10.568 4.417 1.00 34.04 N ATOM 0 H LYS A 27 10.797 -9.169 1.526 1.00 71.43 H new ATOM 0 HA LYS A 27 8.074 -10.229 1.832 1.00 54.51 H new ATOM 0 HB2 LYS A 27 10.039 -11.198 3.039 1.00 32.42 H new ATOM 0 HB3 LYS A 27 10.310 -9.653 3.820 1.00 32.42 H new ATOM 0 HG2 LYS A 27 9.228 -11.010 5.443 1.00 21.41 H new ATOM 0 HG3 LYS A 27 8.012 -9.875 4.893 1.00 21.41 H new ATOM 0 HD2 LYS A 27 8.155 -12.643 3.652 1.00 54.41 H new ATOM 0 HD3 LYS A 27 7.401 -12.432 5.219 1.00 54.41 H new ATOM 0 HE2 LYS A 27 6.541 -11.054 2.633 1.00 54.34 H new ATOM 0 HE3 LYS A 27 5.725 -12.407 3.391 1.00 54.34 H new ATOM 0 HZ1 LYS A 27 4.563 -10.962 4.570 1.00 34.04 H new ATOM 0 HZ2 LYS A 27 5.980 -10.423 5.335 1.00 34.04 H new ATOM 0 HZ3 LYS A 27 5.434 -9.657 3.921 1.00 34.04 H new ATOM 450 N VAL A 28 6.949 -8.063 2.295 1.00 53.34 N ATOM 451 CA VAL A 28 6.200 -6.824 2.533 1.00 11.34 C ATOM 452 C VAL A 28 5.346 -6.983 3.807 1.00 0.34 C ATOM 453 O VAL A 28 4.541 -7.920 3.913 1.00 1.42 O ATOM 454 CB VAL A 28 5.280 -6.487 1.290 1.00 40.01 C ATOM 455 CG1 VAL A 28 4.474 -5.188 1.512 1.00 50.43 C ATOM 456 CG2 VAL A 28 6.114 -6.403 -0.014 1.00 63.42 C ATOM 0 H VAL A 28 6.401 -8.780 1.819 1.00 53.34 H new ATOM 0 HA VAL A 28 6.901 -6.000 2.669 1.00 11.34 H new ATOM 0 HB VAL A 28 4.565 -7.303 1.185 1.00 40.01 H new ATOM 0 HG11 VAL A 28 3.855 -4.990 0.637 1.00 50.43 H new ATOM 0 HG12 VAL A 28 3.837 -5.300 2.390 1.00 50.43 H new ATOM 0 HG13 VAL A 28 5.161 -4.356 1.666 1.00 50.43 H new ATOM 0 HG21 VAL A 28 5.457 -6.170 -0.852 1.00 63.42 H new ATOM 0 HG22 VAL A 28 6.866 -5.621 0.085 1.00 63.42 H new ATOM 0 HG23 VAL A 28 6.606 -7.359 -0.193 1.00 63.42 H new ATOM 466 N GLN A 29 5.575 -6.089 4.778 1.00 3.34 N ATOM 467 CA GLN A 29 4.841 -6.037 6.054 1.00 62.50 C ATOM 468 C GLN A 29 3.800 -4.916 5.976 1.00 4.53 C ATOM 469 O GLN A 29 4.034 -3.916 5.301 1.00 61.24 O ATOM 470 CB GLN A 29 5.826 -5.721 7.224 1.00 4.11 C ATOM 471 CG GLN A 29 7.058 -6.647 7.326 1.00 11.15 C ATOM 472 CD GLN A 29 6.726 -8.131 7.517 1.00 73.22 C ATOM 473 OE1 GLN A 29 7.607 -8.999 7.061 1.00 31.50 O flip ATOM 474 NE2 GLN A 29 5.700 -8.500 8.091 1.00 4.14 N flip ATOM 0 H GLN A 29 6.290 -5.366 4.699 1.00 3.34 H new ATOM 0 HA GLN A 29 4.360 -6.999 6.234 1.00 62.50 H new ATOM 0 HB2 GLN A 29 6.174 -4.694 7.115 1.00 4.11 H new ATOM 0 HB3 GLN A 29 5.275 -5.773 8.163 1.00 4.11 H new ATOM 0 HG2 GLN A 29 7.656 -6.535 6.422 1.00 11.15 H new ATOM 0 HG3 GLN A 29 7.677 -6.316 8.160 1.00 11.15 H new ATOM 0 HE21 GLN A 29 5.032 -7.810 8.436 1.00 4.14 H new ATOM 0 HE22 GLN A 29 5.518 -9.495 8.222 1.00 4.14 H new ATOM 483 N VAL A 30 2.662 -5.077 6.663 1.00 52.42 N ATOM 484 CA VAL A 30 1.729 -3.958 6.901 1.00 0.22 C ATOM 485 C VAL A 30 2.303 -3.106 8.053 1.00 64.35 C ATOM 486 O VAL A 30 2.325 -3.552 9.209 1.00 4.11 O ATOM 487 CB VAL A 30 0.270 -4.458 7.250 1.00 62.12 C ATOM 488 CG1 VAL A 30 -0.703 -3.269 7.476 1.00 13.31 C ATOM 489 CG2 VAL A 30 -0.262 -5.423 6.161 1.00 11.44 C ATOM 0 H VAL A 30 2.362 -5.966 7.064 1.00 52.42 H new ATOM 0 HA VAL A 30 1.637 -3.367 5.990 1.00 0.22 H new ATOM 0 HB VAL A 30 0.327 -5.011 8.188 1.00 62.12 H new ATOM 0 HG11 VAL A 30 -1.696 -3.651 7.714 1.00 13.31 H new ATOM 0 HG12 VAL A 30 -0.343 -2.656 8.302 1.00 13.31 H new ATOM 0 HG13 VAL A 30 -0.754 -2.664 6.571 1.00 13.31 H new ATOM 0 HG21 VAL A 30 -1.267 -5.752 6.426 1.00 11.44 H new ATOM 0 HG22 VAL A 30 -0.290 -4.908 5.201 1.00 11.44 H new ATOM 0 HG23 VAL A 30 0.396 -6.289 6.089 1.00 11.44 H new ATOM 499 N ARG A 31 2.830 -1.911 7.721 1.00 33.44 N ATOM 500 CA ARG A 31 3.466 -1.017 8.713 1.00 1.51 C ATOM 501 C ARG A 31 2.386 -0.201 9.459 1.00 32.10 C ATOM 502 O ARG A 31 2.212 -0.353 10.674 1.00 55.30 O ATOM 503 CB ARG A 31 4.495 -0.088 7.996 1.00 73.02 C ATOM 504 CG ARG A 31 5.238 0.901 8.923 1.00 3.30 C ATOM 505 CD ARG A 31 6.149 0.201 9.955 1.00 71.13 C ATOM 506 NE ARG A 31 6.613 1.138 10.985 1.00 42.14 N ATOM 507 CZ ARG A 31 7.780 1.068 11.637 1.00 2.12 C ATOM 508 NH1 ARG A 31 8.665 0.098 11.379 1.00 2.53 N ATOM 509 NH2 ARG A 31 8.054 1.972 12.561 1.00 44.03 N ATOM 0 H ARG A 31 2.828 -1.540 6.771 1.00 33.44 H new ATOM 0 HA ARG A 31 4.003 -1.610 9.453 1.00 1.51 H new ATOM 0 HB2 ARG A 31 5.232 -0.711 7.488 1.00 73.02 H new ATOM 0 HB3 ARG A 31 3.974 0.481 7.226 1.00 73.02 H new ATOM 0 HG2 ARG A 31 5.840 1.576 8.315 1.00 3.30 H new ATOM 0 HG3 ARG A 31 4.507 1.514 9.450 1.00 3.30 H new ATOM 0 HD2 ARG A 31 5.605 -0.618 10.425 1.00 71.13 H new ATOM 0 HD3 ARG A 31 7.008 -0.237 9.446 1.00 71.13 H new ATOM 0 HE ARG A 31 5.992 1.910 11.225 1.00 42.14 H new ATOM 0 HH11 ARG A 31 8.457 -0.608 10.673 1.00 2.53 H new ATOM 0 HH12 ARG A 31 9.548 0.065 11.888 1.00 2.53 H new ATOM 0 HH21 ARG A 31 7.381 2.709 12.769 1.00 44.03 H new ATOM 0 HH22 ARG A 31 8.939 1.932 13.067 1.00 44.03 H new ATOM 523 N ARG A 32 1.639 0.616 8.694 1.00 42.21 N ATOM 524 CA ARG A 32 0.533 1.478 9.188 1.00 11.51 C ATOM 525 C ARG A 32 -0.547 1.603 8.092 1.00 2.04 C ATOM 526 O ARG A 32 -0.339 1.175 6.955 1.00 23.31 O ATOM 527 CB ARG A 32 1.050 2.909 9.569 1.00 4.03 C ATOM 528 CG ARG A 32 1.954 3.022 10.822 1.00 43.53 C ATOM 529 CD ARG A 32 1.218 2.801 12.159 1.00 1.14 C ATOM 530 NE ARG A 32 0.837 1.395 12.386 1.00 41.15 N ATOM 531 CZ ARG A 32 -0.374 0.960 12.789 1.00 23.42 C ATOM 532 NH1 ARG A 32 -1.371 1.813 13.020 1.00 22.41 N ATOM 533 NH2 ARG A 32 -0.583 -0.337 12.953 1.00 62.31 N ATOM 0 H ARG A 32 1.786 0.702 7.688 1.00 42.21 H new ATOM 0 HA ARG A 32 0.115 1.016 10.082 1.00 11.51 H new ATOM 0 HB2 ARG A 32 1.601 3.308 8.717 1.00 4.03 H new ATOM 0 HB3 ARG A 32 0.183 3.553 9.718 1.00 4.03 H new ATOM 0 HG2 ARG A 32 2.761 2.293 10.740 1.00 43.53 H new ATOM 0 HG3 ARG A 32 2.416 4.009 10.834 1.00 43.53 H new ATOM 0 HD2 ARG A 32 1.856 3.134 12.977 1.00 1.14 H new ATOM 0 HD3 ARG A 32 0.322 3.422 12.180 1.00 1.14 H new ATOM 0 HE ARG A 32 1.554 0.688 12.224 1.00 41.15 H new ATOM 0 HH11 ARG A 32 -1.225 2.814 12.892 1.00 22.41 H new ATOM 0 HH12 ARG A 32 -2.280 1.465 13.324 1.00 22.41 H new ATOM 0 HH21 ARG A 32 0.170 -1.001 12.775 1.00 62.31 H new ATOM 0 HH22 ARG A 32 -1.497 -0.672 13.258 1.00 62.31 H new ATOM 547 N VAL A 33 -1.712 2.180 8.452 1.00 70.22 N ATOM 548 CA VAL A 33 -2.802 2.512 7.495 1.00 3.00 C ATOM 549 C VAL A 33 -3.316 3.932 7.825 1.00 22.23 C ATOM 550 O VAL A 33 -3.860 4.152 8.912 1.00 13.51 O ATOM 551 CB VAL A 33 -4.012 1.483 7.553 1.00 31.05 C ATOM 552 CG1 VAL A 33 -5.118 1.833 6.523 1.00 34.11 C ATOM 553 CG2 VAL A 33 -3.530 0.025 7.367 1.00 45.33 C ATOM 0 H VAL A 33 -1.930 2.432 9.416 1.00 70.22 H new ATOM 0 HA VAL A 33 -2.394 2.458 6.486 1.00 3.00 H new ATOM 0 HB VAL A 33 -4.448 1.567 8.548 1.00 31.05 H new ATOM 0 HG11 VAL A 33 -5.926 1.105 6.596 1.00 34.11 H new ATOM 0 HG12 VAL A 33 -5.507 2.830 6.732 1.00 34.11 H new ATOM 0 HG13 VAL A 33 -4.699 1.810 5.517 1.00 34.11 H new ATOM 0 HG21 VAL A 33 -4.385 -0.649 7.413 1.00 45.33 H new ATOM 0 HG22 VAL A 33 -3.040 -0.075 6.399 1.00 45.33 H new ATOM 0 HG23 VAL A 33 -2.825 -0.229 8.159 1.00 45.33 H new ATOM 563 N GLN A 34 -3.125 4.883 6.901 1.00 70.31 N ATOM 564 CA GLN A 34 -3.545 6.291 7.078 1.00 34.44 C ATOM 565 C GLN A 34 -4.762 6.576 6.172 1.00 52.32 C ATOM 566 O GLN A 34 -4.637 6.598 4.952 1.00 11.30 O ATOM 567 CB GLN A 34 -2.359 7.247 6.736 1.00 40.40 C ATOM 568 CG GLN A 34 -2.642 8.745 6.971 1.00 31.41 C ATOM 569 CD GLN A 34 -3.045 9.079 8.413 1.00 31.52 C ATOM 570 OE1 GLN A 34 -4.224 9.071 8.762 1.00 34.23 O ATOM 571 NE2 GLN A 34 -2.080 9.401 9.255 1.00 54.11 N ATOM 0 H GLN A 34 -2.674 4.703 6.004 1.00 70.31 H new ATOM 0 HA GLN A 34 -3.831 6.464 8.115 1.00 34.44 H new ATOM 0 HB2 GLN A 34 -1.495 6.958 7.334 1.00 40.40 H new ATOM 0 HB3 GLN A 34 -2.086 7.104 5.691 1.00 40.40 H new ATOM 0 HG2 GLN A 34 -1.753 9.319 6.710 1.00 31.41 H new ATOM 0 HG3 GLN A 34 -3.437 9.065 6.298 1.00 31.41 H new ATOM 0 HE21 GLN A 34 -1.109 9.400 8.942 1.00 54.11 H new ATOM 0 HE22 GLN A 34 -2.306 9.650 10.218 1.00 54.11 H new ATOM 580 N LYS A 35 -5.938 6.780 6.781 1.00 34.45 N ATOM 581 CA LYS A 35 -7.204 6.997 6.047 1.00 11.41 C ATOM 582 C LYS A 35 -7.408 8.521 5.853 1.00 71.14 C ATOM 583 O LYS A 35 -7.660 9.243 6.821 1.00 51.42 O ATOM 584 CB LYS A 35 -8.363 6.328 6.860 1.00 61.44 C ATOM 585 CG LYS A 35 -9.644 5.958 6.072 1.00 2.30 C ATOM 586 CD LYS A 35 -10.491 7.164 5.622 1.00 35.41 C ATOM 587 CE LYS A 35 -11.774 6.747 4.883 1.00 51.41 C ATOM 588 NZ LYS A 35 -12.666 5.909 5.726 1.00 14.33 N ATOM 0 H LYS A 35 -6.044 6.800 7.795 1.00 34.45 H new ATOM 0 HA LYS A 35 -7.186 6.542 5.057 1.00 11.41 H new ATOM 0 HB2 LYS A 35 -7.974 5.421 7.322 1.00 61.44 H new ATOM 0 HB3 LYS A 35 -8.644 7.002 7.669 1.00 61.44 H new ATOM 0 HG2 LYS A 35 -9.359 5.382 5.192 1.00 2.30 H new ATOM 0 HG3 LYS A 35 -10.261 5.308 6.692 1.00 2.30 H new ATOM 0 HD2 LYS A 35 -10.757 7.761 6.494 1.00 35.41 H new ATOM 0 HD3 LYS A 35 -9.892 7.800 4.970 1.00 35.41 H new ATOM 0 HE2 LYS A 35 -12.313 7.639 4.564 1.00 51.41 H new ATOM 0 HE3 LYS A 35 -11.508 6.196 3.981 1.00 51.41 H new ATOM 0 HZ1 LYS A 35 -13.585 5.795 5.252 1.00 14.33 H new ATOM 0 HZ2 LYS A 35 -12.232 4.975 5.869 1.00 14.33 H new ATOM 0 HZ3 LYS A 35 -12.807 6.370 6.647 1.00 14.33 H new ATOM 602 N GLN A 36 -7.257 9.008 4.604 1.00 15.04 N ATOM 603 CA GLN A 36 -7.394 10.444 4.264 1.00 44.34 C ATOM 604 C GLN A 36 -8.506 10.634 3.209 1.00 55.55 C ATOM 605 O GLN A 36 -8.243 10.678 1.997 1.00 4.13 O ATOM 606 CB GLN A 36 -6.020 11.015 3.785 1.00 72.53 C ATOM 607 CG GLN A 36 -4.932 11.039 4.885 1.00 3.32 C ATOM 608 CD GLN A 36 -5.251 11.990 6.050 1.00 23.25 C ATOM 609 OE1 GLN A 36 -4.872 11.612 7.257 1.00 64.22 O flip ATOM 610 NE2 GLN A 36 -5.869 13.044 5.872 1.00 54.50 N flip ATOM 0 H GLN A 36 -7.037 8.419 3.801 1.00 15.04 H new ATOM 0 HA GLN A 36 -7.688 11.005 5.151 1.00 44.34 H new ATOM 0 HB2 GLN A 36 -5.662 10.417 2.947 1.00 72.53 H new ATOM 0 HB3 GLN A 36 -6.169 12.029 3.413 1.00 72.53 H new ATOM 0 HG2 GLN A 36 -4.802 10.030 5.277 1.00 3.32 H new ATOM 0 HG3 GLN A 36 -3.982 11.333 4.438 1.00 3.32 H new ATOM 0 HE21 GLN A 36 -6.152 13.317 4.931 1.00 54.50 H new ATOM 0 HE22 GLN A 36 -6.096 13.642 6.666 1.00 54.50 H new ATOM 619 N GLY A 37 -9.760 10.695 3.701 1.00 21.10 N ATOM 620 CA GLY A 37 -10.944 10.912 2.862 1.00 43.43 C ATOM 621 C GLY A 37 -11.251 9.728 1.952 1.00 0.12 C ATOM 622 O GLY A 37 -11.668 8.672 2.421 1.00 72.23 O ATOM 0 H GLY A 37 -9.975 10.594 4.693 1.00 21.10 H new ATOM 0 HA2 GLY A 37 -11.805 11.106 3.501 1.00 43.43 H new ATOM 0 HA3 GLY A 37 -10.793 11.803 2.252 1.00 43.43 H new ATOM 626 N ASN A 38 -11.023 9.909 0.645 1.00 43.31 N ATOM 627 CA ASN A 38 -11.227 8.853 -0.369 1.00 0.50 C ATOM 628 C ASN A 38 -9.913 8.093 -0.616 1.00 70.50 C ATOM 629 O ASN A 38 -9.930 6.916 -0.994 1.00 12.03 O ATOM 630 CB ASN A 38 -11.766 9.467 -1.689 1.00 33.02 C ATOM 631 CG ASN A 38 -13.028 10.314 -1.465 1.00 40.21 C ATOM 632 OD1 ASN A 38 -12.949 11.534 -1.279 1.00 53.00 O ATOM 633 ND2 ASN A 38 -14.192 9.680 -1.442 1.00 33.12 N ATOM 0 H ASN A 38 -10.691 10.791 0.255 1.00 43.31 H new ATOM 0 HA ASN A 38 -11.968 8.146 0.004 1.00 0.50 H new ATOM 0 HB2 ASN A 38 -10.991 10.086 -2.142 1.00 33.02 H new ATOM 0 HB3 ASN A 38 -11.989 8.667 -2.395 1.00 33.02 H new ATOM 0 HD21 ASN A 38 -15.052 10.199 -1.268 1.00 33.12 H new ATOM 0 HD22 ASN A 38 -14.227 8.673 -1.599 1.00 33.12 H new ATOM 640 N THR A 39 -8.779 8.785 -0.394 1.00 4.34 N ATOM 641 CA THR A 39 -7.434 8.222 -0.576 1.00 65.52 C ATOM 642 C THR A 39 -6.906 7.640 0.756 1.00 35.12 C ATOM 643 O THR A 39 -6.423 8.376 1.630 1.00 32.24 O ATOM 644 CB THR A 39 -6.435 9.306 -1.119 1.00 44.55 C ATOM 645 OG1 THR A 39 -6.965 9.923 -2.311 1.00 33.51 O ATOM 646 CG2 THR A 39 -5.043 8.713 -1.430 1.00 41.21 C ATOM 0 H THR A 39 -8.774 9.756 -0.082 1.00 4.34 H new ATOM 0 HA THR A 39 -7.505 7.421 -1.311 1.00 65.52 H new ATOM 0 HB THR A 39 -6.317 10.052 -0.333 1.00 44.55 H new ATOM 0 HG1 THR A 39 -6.334 10.597 -2.638 1.00 33.51 H new ATOM 0 HG21 THR A 39 -4.387 9.500 -1.802 1.00 41.21 H new ATOM 0 HG22 THR A 39 -4.618 8.286 -0.521 1.00 41.21 H new ATOM 0 HG23 THR A 39 -5.140 7.934 -2.186 1.00 41.21 H new ATOM 654 N ILE A 40 -7.047 6.318 0.918 1.00 12.03 N ATOM 655 CA ILE A 40 -6.470 5.590 2.053 1.00 12.03 C ATOM 656 C ILE A 40 -5.013 5.204 1.701 1.00 10.22 C ATOM 657 O ILE A 40 -4.766 4.343 0.849 1.00 22.44 O ATOM 658 CB ILE A 40 -7.316 4.309 2.419 1.00 25.14 C ATOM 659 CG1 ILE A 40 -8.825 4.683 2.603 1.00 73.54 C ATOM 660 CG2 ILE A 40 -6.747 3.612 3.683 1.00 21.11 C ATOM 661 CD1 ILE A 40 -9.748 3.530 2.976 1.00 10.40 C ATOM 0 H ILE A 40 -7.563 5.725 0.267 1.00 12.03 H new ATOM 0 HA ILE A 40 -6.484 6.235 2.932 1.00 12.03 H new ATOM 0 HB ILE A 40 -7.244 3.600 1.594 1.00 25.14 H new ATOM 0 HG12 ILE A 40 -8.899 5.449 3.375 1.00 73.54 H new ATOM 0 HG13 ILE A 40 -9.186 5.129 1.676 1.00 73.54 H new ATOM 0 HG21 ILE A 40 -7.347 2.732 3.915 1.00 21.11 H new ATOM 0 HG22 ILE A 40 -5.716 3.310 3.499 1.00 21.11 H new ATOM 0 HG23 ILE A 40 -6.777 4.304 4.525 1.00 21.11 H new ATOM 0 HD11 ILE A 40 -10.768 3.899 3.079 1.00 10.40 H new ATOM 0 HD12 ILE A 40 -9.714 2.770 2.196 1.00 10.40 H new ATOM 0 HD13 ILE A 40 -9.423 3.095 3.921 1.00 10.40 H new ATOM 673 N ARG A 41 -4.070 5.894 2.341 1.00 43.23 N ATOM 674 CA ARG A 41 -2.631 5.697 2.155 1.00 2.15 C ATOM 675 C ARG A 41 -2.124 4.628 3.127 1.00 5.32 C ATOM 676 O ARG A 41 -1.860 4.927 4.294 1.00 51.01 O ATOM 677 CB ARG A 41 -1.891 7.036 2.420 1.00 54.23 C ATOM 678 CG ARG A 41 -2.340 8.204 1.533 1.00 31.13 C ATOM 679 CD ARG A 41 -1.555 9.494 1.821 1.00 43.10 C ATOM 680 NE ARG A 41 -1.811 10.518 0.793 1.00 61.24 N ATOM 681 CZ ARG A 41 -2.336 11.733 0.996 1.00 22.43 C ATOM 682 NH1 ARG A 41 -2.700 12.136 2.212 1.00 24.34 N ATOM 683 NH2 ARG A 41 -2.470 12.554 -0.035 1.00 70.24 N ATOM 0 H ARG A 41 -4.289 6.623 3.020 1.00 43.23 H new ATOM 0 HA ARG A 41 -2.439 5.370 1.133 1.00 2.15 H new ATOM 0 HB2 ARG A 41 -2.035 7.314 3.464 1.00 54.23 H new ATOM 0 HB3 ARG A 41 -0.822 6.879 2.277 1.00 54.23 H new ATOM 0 HG2 ARG A 41 -2.213 7.931 0.485 1.00 31.13 H new ATOM 0 HG3 ARG A 41 -3.403 8.387 1.688 1.00 31.13 H new ATOM 0 HD2 ARG A 41 -1.835 9.881 2.801 1.00 43.10 H new ATOM 0 HD3 ARG A 41 -0.488 9.272 1.859 1.00 43.10 H new ATOM 0 HE ARG A 41 -1.564 10.278 -0.167 1.00 61.24 H new ATOM 0 HH11 ARG A 41 -2.581 11.515 3.012 1.00 24.34 H new ATOM 0 HH12 ARG A 41 -3.098 13.066 2.343 1.00 24.34 H new ATOM 0 HH21 ARG A 41 -2.175 12.257 -0.965 1.00 70.24 H new ATOM 0 HH22 ARG A 41 -2.868 13.483 0.101 1.00 70.24 H new ATOM 697 N VAL A 42 -2.013 3.382 2.659 1.00 72.03 N ATOM 698 CA VAL A 42 -1.443 2.301 3.474 1.00 35.55 C ATOM 699 C VAL A 42 0.080 2.397 3.413 1.00 5.34 C ATOM 700 O VAL A 42 0.663 2.443 2.328 1.00 43.43 O ATOM 701 CB VAL A 42 -1.911 0.871 3.018 1.00 15.43 C ATOM 702 CG1 VAL A 42 -1.303 -0.248 3.905 1.00 22.33 C ATOM 703 CG2 VAL A 42 -3.440 0.787 3.023 1.00 40.14 C ATOM 0 H VAL A 42 -2.308 3.096 1.725 1.00 72.03 H new ATOM 0 HA VAL A 42 -1.802 2.429 4.495 1.00 35.55 H new ATOM 0 HB VAL A 42 -1.548 0.714 2.002 1.00 15.43 H new ATOM 0 HG11 VAL A 42 -1.652 -1.220 3.555 1.00 22.33 H new ATOM 0 HG12 VAL A 42 -0.215 -0.210 3.844 1.00 22.33 H new ATOM 0 HG13 VAL A 42 -1.614 -0.102 4.939 1.00 22.33 H new ATOM 0 HG21 VAL A 42 -3.751 -0.208 2.705 1.00 40.14 H new ATOM 0 HG22 VAL A 42 -3.812 0.979 4.030 1.00 40.14 H new ATOM 0 HG23 VAL A 42 -3.847 1.530 2.338 1.00 40.14 H new ATOM 713 N GLU A 43 0.691 2.485 4.586 1.00 52.33 N ATOM 714 CA GLU A 43 2.142 2.470 4.754 1.00 32.52 C ATOM 715 C GLU A 43 2.581 1.010 4.957 1.00 25.42 C ATOM 716 O GLU A 43 2.047 0.315 5.820 1.00 72.15 O ATOM 717 CB GLU A 43 2.508 3.362 5.971 1.00 24.24 C ATOM 718 CG GLU A 43 2.015 4.819 5.826 1.00 25.04 C ATOM 719 CD GLU A 43 2.231 5.668 7.085 1.00 41.11 C ATOM 720 OE1 GLU A 43 1.249 5.937 7.818 1.00 30.43 O ATOM 721 OE2 GLU A 43 3.386 6.069 7.356 1.00 14.04 O ATOM 0 H GLU A 43 0.184 2.571 5.467 1.00 52.33 H new ATOM 0 HA GLU A 43 2.657 2.868 3.880 1.00 32.52 H new ATOM 0 HB2 GLU A 43 2.079 2.928 6.874 1.00 24.24 H new ATOM 0 HB3 GLU A 43 3.590 3.362 6.101 1.00 24.24 H new ATOM 0 HG2 GLU A 43 2.533 5.287 4.989 1.00 25.04 H new ATOM 0 HG3 GLU A 43 0.953 4.812 5.580 1.00 25.04 H new ATOM 728 N LEU A 44 3.498 0.523 4.122 1.00 12.31 N ATOM 729 CA LEU A 44 3.996 -0.863 4.196 1.00 73.03 C ATOM 730 C LEU A 44 5.516 -0.846 4.227 1.00 12.11 C ATOM 731 O LEU A 44 6.141 0.057 3.668 1.00 71.01 O ATOM 732 CB LEU A 44 3.504 -1.738 2.996 1.00 12.22 C ATOM 733 CG LEU A 44 1.985 -1.625 2.628 1.00 74.22 C ATOM 734 CD1 LEU A 44 1.744 -0.484 1.624 1.00 1.42 C ATOM 735 CD2 LEU A 44 1.410 -2.953 2.107 1.00 15.34 C ATOM 0 H LEU A 44 3.921 1.072 3.373 1.00 12.31 H new ATOM 0 HA LEU A 44 3.599 -1.311 5.107 1.00 73.03 H new ATOM 0 HB2 LEU A 44 4.089 -1.471 2.116 1.00 12.22 H new ATOM 0 HB3 LEU A 44 3.724 -2.781 3.221 1.00 12.22 H new ATOM 0 HG LEU A 44 1.451 -1.389 3.548 1.00 74.22 H new ATOM 0 HD11 LEU A 44 0.682 -0.427 1.386 1.00 1.42 H new ATOM 0 HD12 LEU A 44 2.068 0.460 2.061 1.00 1.42 H new ATOM 0 HD13 LEU A 44 2.311 -0.675 0.713 1.00 1.42 H new ATOM 0 HD21 LEU A 44 0.355 -2.823 1.866 1.00 15.34 H new ATOM 0 HD22 LEU A 44 1.952 -3.258 1.212 1.00 15.34 H new ATOM 0 HD23 LEU A 44 1.515 -3.721 2.874 1.00 15.34 H new ATOM 747 N GLU A 45 6.104 -1.841 4.880 1.00 13.45 N ATOM 748 CA GLU A 45 7.551 -1.959 5.005 1.00 34.42 C ATOM 749 C GLU A 45 8.049 -3.129 4.140 1.00 43.44 C ATOM 750 O GLU A 45 7.880 -4.301 4.486 1.00 20.03 O ATOM 751 CB GLU A 45 7.905 -2.132 6.493 1.00 60.44 C ATOM 752 CG GLU A 45 9.412 -2.129 6.799 1.00 55.24 C ATOM 753 CD GLU A 45 9.686 -2.068 8.300 1.00 44.22 C ATOM 754 OE1 GLU A 45 9.954 -3.123 8.912 1.00 35.45 O ATOM 755 OE2 GLU A 45 9.611 -0.961 8.881 1.00 0.20 O ATOM 0 H GLU A 45 5.588 -2.592 5.339 1.00 13.45 H new ATOM 0 HA GLU A 45 8.050 -1.060 4.643 1.00 34.42 H new ATOM 0 HB2 GLU A 45 7.431 -1.331 7.061 1.00 60.44 H new ATOM 0 HB3 GLU A 45 7.478 -3.070 6.848 1.00 60.44 H new ATOM 0 HG2 GLU A 45 9.869 -3.026 6.382 1.00 55.24 H new ATOM 0 HG3 GLU A 45 9.881 -1.276 6.309 1.00 55.24 H new ATOM 762 N LEU A 46 8.683 -2.781 3.019 1.00 3.21 N ATOM 763 CA LEU A 46 9.181 -3.730 2.025 1.00 43.02 C ATOM 764 C LEU A 46 10.644 -4.044 2.377 1.00 75.24 C ATOM 765 O LEU A 46 11.533 -3.184 2.274 1.00 52.42 O ATOM 766 CB LEU A 46 9.012 -3.101 0.601 1.00 52.44 C ATOM 767 CG LEU A 46 9.415 -3.955 -0.663 1.00 75.31 C ATOM 768 CD1 LEU A 46 8.680 -3.449 -1.922 1.00 73.13 C ATOM 769 CD2 LEU A 46 10.937 -3.943 -0.933 1.00 4.14 C ATOM 0 H LEU A 46 8.868 -1.809 2.772 1.00 3.21 H new ATOM 0 HA LEU A 46 8.624 -4.667 2.025 1.00 43.02 H new ATOM 0 HB2 LEU A 46 7.965 -2.819 0.488 1.00 52.44 H new ATOM 0 HB3 LEU A 46 9.595 -2.180 0.576 1.00 52.44 H new ATOM 0 HG LEU A 46 9.119 -4.980 -0.442 1.00 75.31 H new ATOM 0 HD11 LEU A 46 8.973 -4.052 -2.781 1.00 73.13 H new ATOM 0 HD12 LEU A 46 7.603 -3.530 -1.772 1.00 73.13 H new ATOM 0 HD13 LEU A 46 8.944 -2.407 -2.103 1.00 73.13 H new ATOM 0 HD21 LEU A 46 11.155 -4.547 -1.814 1.00 4.14 H new ATOM 0 HD22 LEU A 46 11.268 -2.919 -1.104 1.00 4.14 H new ATOM 0 HD23 LEU A 46 11.463 -4.355 -0.072 1.00 4.14 H new ATOM 781 N ARG A 47 10.856 -5.273 2.852 1.00 14.42 N ATOM 782 CA ARG A 47 12.149 -5.760 3.338 1.00 11.42 C ATOM 783 C ARG A 47 12.804 -6.646 2.263 1.00 55.53 C ATOM 784 O ARG A 47 12.206 -7.624 1.799 1.00 20.04 O ATOM 785 CB ARG A 47 11.943 -6.579 4.640 1.00 21.54 C ATOM 786 CG ARG A 47 11.289 -5.803 5.805 1.00 61.52 C ATOM 787 CD ARG A 47 11.075 -6.695 7.045 1.00 34.31 C ATOM 788 NE ARG A 47 10.495 -5.963 8.174 1.00 65.21 N ATOM 789 CZ ARG A 47 10.302 -6.465 9.405 1.00 40.54 C ATOM 790 NH1 ARG A 47 10.647 -7.719 9.706 1.00 55.13 N ATOM 791 NH2 ARG A 47 9.787 -5.687 10.343 1.00 71.34 N ATOM 0 H ARG A 47 10.117 -5.973 2.911 1.00 14.42 H new ATOM 0 HA ARG A 47 12.799 -4.911 3.549 1.00 11.42 H new ATOM 0 HB2 ARG A 47 11.326 -7.448 4.411 1.00 21.54 H new ATOM 0 HB3 ARG A 47 12.911 -6.954 4.972 1.00 21.54 H new ATOM 0 HG2 ARG A 47 11.918 -4.954 6.073 1.00 61.52 H new ATOM 0 HG3 ARG A 47 10.330 -5.399 5.479 1.00 61.52 H new ATOM 0 HD2 ARG A 47 10.421 -7.526 6.781 1.00 34.31 H new ATOM 0 HD3 ARG A 47 12.030 -7.125 7.348 1.00 34.31 H new ATOM 0 HE ARG A 47 10.216 -4.995 8.012 1.00 65.21 H new ATOM 0 HH11 ARG A 47 11.067 -8.317 8.994 1.00 55.13 H new ATOM 0 HH12 ARG A 47 10.491 -8.079 10.648 1.00 55.13 H new ATOM 0 HH21 ARG A 47 9.543 -4.721 10.127 1.00 71.34 H new ATOM 0 HH22 ARG A 47 9.634 -6.054 11.283 1.00 71.34 H new ATOM 805 N THR A 48 14.028 -6.278 1.881 1.00 42.14 N ATOM 806 CA THR A 48 14.861 -7.027 0.922 1.00 51.43 C ATOM 807 C THR A 48 16.227 -7.306 1.594 1.00 41.44 C ATOM 808 O THR A 48 16.494 -6.770 2.677 1.00 12.32 O ATOM 809 CB THR A 48 15.037 -6.203 -0.408 1.00 2.25 C ATOM 810 OG1 THR A 48 13.781 -5.602 -0.771 1.00 54.41 O ATOM 811 CG2 THR A 48 15.521 -7.065 -1.594 1.00 20.21 C ATOM 0 H THR A 48 14.482 -5.435 2.233 1.00 42.14 H new ATOM 0 HA THR A 48 14.385 -7.971 0.656 1.00 51.43 H new ATOM 0 HB THR A 48 15.799 -5.449 -0.209 1.00 2.25 H new ATOM 0 HG1 THR A 48 13.891 -5.088 -1.598 1.00 54.41 H new ATOM 0 HG21 THR A 48 15.623 -6.439 -2.481 1.00 20.21 H new ATOM 0 HG22 THR A 48 16.486 -7.509 -1.351 1.00 20.21 H new ATOM 0 HG23 THR A 48 14.796 -7.856 -1.789 1.00 20.21 H new ATOM 819 N ASN A 49 17.068 -8.171 0.992 1.00 43.11 N ATOM 820 CA ASN A 49 18.420 -8.464 1.521 1.00 52.12 C ATOM 821 C ASN A 49 19.298 -7.195 1.511 1.00 33.42 C ATOM 822 O ASN A 49 19.774 -6.762 0.456 1.00 44.23 O ATOM 823 CB ASN A 49 19.094 -9.615 0.722 1.00 4.23 C ATOM 824 CG ASN A 49 18.376 -10.960 0.852 1.00 11.31 C ATOM 825 OD1 ASN A 49 17.740 -11.254 1.867 1.00 31.12 O ATOM 826 ND2 ASN A 49 18.492 -11.802 -0.169 1.00 21.21 N ATOM 0 H ASN A 49 16.837 -8.680 0.139 1.00 43.11 H new ATOM 0 HA ASN A 49 18.314 -8.794 2.555 1.00 52.12 H new ATOM 0 HB2 ASN A 49 19.137 -9.337 -0.331 1.00 4.23 H new ATOM 0 HB3 ASN A 49 20.123 -9.728 1.064 1.00 4.23 H new ATOM 0 HD21 ASN A 49 18.049 -12.720 -0.126 1.00 21.21 H new ATOM 0 HD22 ASN A 49 19.025 -11.531 -0.996 1.00 21.21 H new ATOM 833 N GLY A 50 19.439 -6.575 2.696 1.00 40.00 N ATOM 834 CA GLY A 50 20.245 -5.358 2.874 1.00 64.52 C ATOM 835 C GLY A 50 19.425 -4.073 2.807 1.00 55.42 C ATOM 836 O GLY A 50 19.949 -2.992 3.094 1.00 33.11 O ATOM 0 H GLY A 50 18.998 -6.904 3.555 1.00 40.00 H new ATOM 0 HA2 GLY A 50 20.754 -5.406 3.837 1.00 64.52 H new ATOM 0 HA3 GLY A 50 21.018 -5.327 2.106 1.00 64.52 H new ATOM 840 N LYS A 51 18.136 -4.175 2.420 1.00 23.53 N ATOM 841 CA LYS A 51 17.217 -3.017 2.362 1.00 35.44 C ATOM 842 C LYS A 51 16.080 -3.170 3.387 1.00 11.23 C ATOM 843 O LYS A 51 15.557 -4.269 3.596 1.00 52.25 O ATOM 844 CB LYS A 51 16.599 -2.832 0.941 1.00 52.21 C ATOM 845 CG LYS A 51 17.611 -2.505 -0.183 1.00 23.31 C ATOM 846 CD LYS A 51 16.933 -1.939 -1.459 1.00 30.40 C ATOM 847 CE LYS A 51 15.888 -2.895 -2.070 1.00 54.20 C ATOM 848 NZ LYS A 51 15.076 -2.227 -3.132 1.00 42.45 N ATOM 0 H LYS A 51 17.705 -5.056 2.141 1.00 23.53 H new ATOM 0 HA LYS A 51 17.811 -2.134 2.599 1.00 35.44 H new ATOM 0 HB2 LYS A 51 16.066 -3.744 0.673 1.00 52.21 H new ATOM 0 HB3 LYS A 51 15.860 -2.032 0.986 1.00 52.21 H new ATOM 0 HG2 LYS A 51 18.337 -1.782 0.188 1.00 23.31 H new ATOM 0 HG3 LYS A 51 18.164 -3.408 -0.441 1.00 23.31 H new ATOM 0 HD2 LYS A 51 16.451 -0.992 -1.216 1.00 30.40 H new ATOM 0 HD3 LYS A 51 17.699 -1.725 -2.204 1.00 30.40 H new ATOM 0 HE2 LYS A 51 16.393 -3.764 -2.492 1.00 54.20 H new ATOM 0 HE3 LYS A 51 15.227 -3.261 -1.284 1.00 54.20 H new ATOM 0 HZ1 LYS A 51 14.850 -2.914 -3.880 1.00 42.45 H new ATOM 0 HZ2 LYS A 51 14.194 -1.864 -2.718 1.00 42.45 H new ATOM 0 HZ3 LYS A 51 15.618 -1.438 -3.538 1.00 42.45 H new ATOM 862 N LYS A 52 15.700 -2.047 3.999 1.00 22.23 N ATOM 863 CA LYS A 52 14.489 -1.926 4.809 1.00 21.34 C ATOM 864 C LYS A 52 13.838 -0.597 4.414 1.00 24.02 C ATOM 865 O LYS A 52 14.261 0.476 4.861 1.00 63.13 O ATOM 866 CB LYS A 52 14.838 -1.968 6.324 1.00 4.03 C ATOM 867 CG LYS A 52 13.624 -1.858 7.272 1.00 70.45 C ATOM 868 CD LYS A 52 14.052 -1.820 8.760 1.00 24.11 C ATOM 869 CE LYS A 52 12.860 -1.635 9.703 1.00 13.43 C ATOM 870 NZ LYS A 52 13.264 -1.526 11.132 1.00 52.33 N ATOM 0 H LYS A 52 16.236 -1.181 3.944 1.00 22.23 H new ATOM 0 HA LYS A 52 13.803 -2.754 4.632 1.00 21.34 H new ATOM 0 HB2 LYS A 52 15.363 -2.899 6.536 1.00 4.03 H new ATOM 0 HB3 LYS A 52 15.529 -1.155 6.546 1.00 4.03 H new ATOM 0 HG2 LYS A 52 13.059 -0.957 7.034 1.00 70.45 H new ATOM 0 HG3 LYS A 52 12.958 -2.705 7.108 1.00 70.45 H new ATOM 0 HD2 LYS A 52 14.570 -2.746 9.010 1.00 24.11 H new ATOM 0 HD3 LYS A 52 14.762 -1.006 8.911 1.00 24.11 H new ATOM 0 HE2 LYS A 52 12.312 -0.738 9.416 1.00 13.43 H new ATOM 0 HE3 LYS A 52 12.177 -2.477 9.587 1.00 13.43 H new ATOM 0 HZ1 LYS A 52 12.418 -1.402 11.724 1.00 52.33 H new ATOM 0 HZ2 LYS A 52 13.763 -2.392 11.419 1.00 52.33 H new ATOM 0 HZ3 LYS A 52 13.894 -0.707 11.253 1.00 52.33 H new ATOM 884 N GLU A 53 12.846 -0.681 3.526 1.00 44.01 N ATOM 885 CA GLU A 53 12.213 0.491 2.895 1.00 12.32 C ATOM 886 C GLU A 53 10.753 0.594 3.348 1.00 10.12 C ATOM 887 O GLU A 53 10.088 -0.419 3.510 1.00 23.43 O ATOM 888 CB GLU A 53 12.270 0.343 1.353 1.00 54.24 C ATOM 889 CG GLU A 53 13.678 0.111 0.770 1.00 5.33 C ATOM 890 CD GLU A 53 13.650 -0.250 -0.725 1.00 1.11 C ATOM 891 OE1 GLU A 53 14.222 0.493 -1.556 1.00 51.22 O ATOM 892 OE2 GLU A 53 13.048 -1.293 -1.073 1.00 33.11 O ATOM 0 H GLU A 53 12.452 -1.570 3.218 1.00 44.01 H new ATOM 0 HA GLU A 53 12.747 1.394 3.192 1.00 12.32 H new ATOM 0 HB2 GLU A 53 11.630 -0.489 1.060 1.00 54.24 H new ATOM 0 HB3 GLU A 53 11.850 1.242 0.901 1.00 54.24 H new ATOM 0 HG2 GLU A 53 14.278 1.010 0.911 1.00 5.33 H new ATOM 0 HG3 GLU A 53 14.169 -0.690 1.324 1.00 5.33 H new ATOM 899 N ASN A 54 10.275 1.822 3.580 1.00 1.14 N ATOM 900 CA ASN A 54 8.866 2.092 3.916 1.00 23.25 C ATOM 901 C ASN A 54 8.209 2.856 2.742 1.00 24.33 C ATOM 902 O ASN A 54 8.656 3.951 2.384 1.00 33.31 O ATOM 903 CB ASN A 54 8.752 2.888 5.258 1.00 44.22 C ATOM 904 CG ASN A 54 9.064 2.059 6.533 1.00 1.23 C ATOM 905 OD1 ASN A 54 10.078 1.202 6.504 1.00 54.15 O flip ATOM 906 ND2 ASN A 54 8.408 2.218 7.565 1.00 20.02 N flip ATOM 0 H ASN A 54 10.854 2.661 3.541 1.00 1.14 H new ATOM 0 HA ASN A 54 8.338 1.150 4.064 1.00 23.25 H new ATOM 0 HB2 ASN A 54 9.432 3.739 5.219 1.00 44.22 H new ATOM 0 HB3 ASN A 54 7.743 3.291 5.341 1.00 44.22 H new ATOM 0 HD21 ASN A 54 7.631 2.878 7.579 1.00 20.02 H new ATOM 0 HD22 ASN A 54 8.643 1.689 8.405 1.00 20.02 H new ATOM 913 N TYR A 55 7.193 2.229 2.113 1.00 65.13 N ATOM 914 CA TYR A 55 6.414 2.803 1.002 1.00 34.20 C ATOM 915 C TYR A 55 4.999 3.171 1.483 1.00 24.21 C ATOM 916 O TYR A 55 4.254 2.301 1.935 1.00 73.51 O ATOM 917 CB TYR A 55 6.271 1.762 -0.141 1.00 40.13 C ATOM 918 CG TYR A 55 7.571 1.336 -0.839 1.00 65.41 C ATOM 919 CD1 TYR A 55 7.882 1.813 -2.114 1.00 32.34 C ATOM 920 CD2 TYR A 55 8.462 0.438 -0.253 1.00 75.02 C ATOM 921 CE1 TYR A 55 9.022 1.407 -2.774 1.00 3.13 C ATOM 922 CE2 TYR A 55 9.610 0.037 -0.911 1.00 75.03 C ATOM 923 CZ TYR A 55 9.884 0.521 -2.169 1.00 74.33 C ATOM 924 OH TYR A 55 11.034 0.127 -2.822 1.00 61.12 O ATOM 0 H TYR A 55 6.887 1.291 2.370 1.00 65.13 H new ATOM 0 HA TYR A 55 6.936 3.691 0.645 1.00 34.20 H new ATOM 0 HB2 TYR A 55 5.793 0.871 0.266 1.00 40.13 H new ATOM 0 HB3 TYR A 55 5.596 2.170 -0.894 1.00 40.13 H new ATOM 0 HD1 TYR A 55 7.215 2.515 -2.593 1.00 32.34 H new ATOM 0 HD2 TYR A 55 8.252 0.049 0.732 1.00 75.02 H new ATOM 0 HE1 TYR A 55 9.238 1.783 -3.763 1.00 3.13 H new ATOM 0 HE2 TYR A 55 10.291 -0.655 -0.438 1.00 75.03 H new ATOM 0 HH TYR A 55 11.564 -0.449 -2.232 1.00 61.12 H new ATOM 934 N THR A 56 4.638 4.445 1.369 1.00 73.15 N ATOM 935 CA THR A 56 3.259 4.906 1.545 1.00 20.12 C ATOM 936 C THR A 56 2.535 4.839 0.183 1.00 23.21 C ATOM 937 O THR A 56 2.725 5.708 -0.679 1.00 72.41 O ATOM 938 CB THR A 56 3.247 6.369 2.105 1.00 50.34 C ATOM 939 OG1 THR A 56 4.054 6.431 3.297 1.00 54.30 O ATOM 940 CG2 THR A 56 1.825 6.867 2.430 1.00 50.53 C ATOM 0 H THR A 56 5.295 5.194 1.151 1.00 73.15 H new ATOM 0 HA THR A 56 2.743 4.267 2.261 1.00 20.12 H new ATOM 0 HB THR A 56 3.652 7.017 1.328 1.00 50.34 H new ATOM 0 HG1 THR A 56 4.049 7.346 3.648 1.00 54.30 H new ATOM 0 HG21 THR A 56 1.875 7.886 2.814 1.00 50.53 H new ATOM 0 HG22 THR A 56 1.218 6.850 1.525 1.00 50.53 H new ATOM 0 HG23 THR A 56 1.375 6.218 3.181 1.00 50.53 H new ATOM 948 N VAL A 57 1.717 3.792 -0.007 1.00 21.42 N ATOM 949 CA VAL A 57 0.956 3.580 -1.246 1.00 40.23 C ATOM 950 C VAL A 57 -0.425 4.236 -1.090 1.00 53.32 C ATOM 951 O VAL A 57 -1.285 3.763 -0.327 1.00 33.32 O ATOM 952 CB VAL A 57 0.793 2.051 -1.602 1.00 13.11 C ATOM 953 CG1 VAL A 57 0.078 1.860 -2.965 1.00 51.44 C ATOM 954 CG2 VAL A 57 2.157 1.324 -1.586 1.00 54.02 C ATOM 0 H VAL A 57 1.565 3.068 0.696 1.00 21.42 H new ATOM 0 HA VAL A 57 1.509 4.034 -2.068 1.00 40.23 H new ATOM 0 HB VAL A 57 0.165 1.602 -0.833 1.00 13.11 H new ATOM 0 HG11 VAL A 57 -0.018 0.796 -3.180 1.00 51.44 H new ATOM 0 HG12 VAL A 57 -0.913 2.312 -2.923 1.00 51.44 H new ATOM 0 HG13 VAL A 57 0.662 2.338 -3.752 1.00 51.44 H new ATOM 0 HG21 VAL A 57 2.012 0.273 -1.835 1.00 54.02 H new ATOM 0 HG22 VAL A 57 2.822 1.782 -2.318 1.00 54.02 H new ATOM 0 HG23 VAL A 57 2.600 1.404 -0.593 1.00 54.02 H new ATOM 964 N GLU A 58 -0.578 5.362 -1.786 1.00 25.02 N ATOM 965 CA GLU A 58 -1.796 6.172 -1.812 1.00 70.23 C ATOM 966 C GLU A 58 -2.828 5.490 -2.734 1.00 60.13 C ATOM 967 O GLU A 58 -2.680 5.520 -3.956 1.00 5.25 O ATOM 968 CB GLU A 58 -1.435 7.598 -2.339 1.00 51.21 C ATOM 969 CG GLU A 58 -0.245 8.265 -1.605 1.00 30.01 C ATOM 970 CD GLU A 58 0.125 9.654 -2.150 1.00 42.34 C ATOM 971 OE1 GLU A 58 1.225 9.822 -2.726 1.00 55.23 O ATOM 972 OE2 GLU A 58 -0.694 10.595 -2.005 1.00 0.03 O ATOM 0 H GLU A 58 0.167 5.748 -2.366 1.00 25.02 H new ATOM 0 HA GLU A 58 -2.225 6.262 -0.814 1.00 70.23 H new ATOM 0 HB2 GLU A 58 -1.201 7.532 -3.401 1.00 51.21 H new ATOM 0 HB3 GLU A 58 -2.311 8.240 -2.245 1.00 51.21 H new ATOM 0 HG2 GLU A 58 -0.488 8.354 -0.546 1.00 30.01 H new ATOM 0 HG3 GLU A 58 0.626 7.613 -1.678 1.00 30.01 H new ATOM 979 N VAL A 59 -3.824 4.821 -2.133 1.00 64.32 N ATOM 980 CA VAL A 59 -4.887 4.091 -2.865 1.00 23.44 C ATOM 981 C VAL A 59 -6.230 4.827 -2.662 1.00 34.20 C ATOM 982 O VAL A 59 -6.594 5.129 -1.530 1.00 50.01 O ATOM 983 CB VAL A 59 -5.016 2.607 -2.344 1.00 65.31 C ATOM 984 CG1 VAL A 59 -6.003 1.786 -3.198 1.00 20.21 C ATOM 985 CG2 VAL A 59 -3.641 1.899 -2.240 1.00 51.21 C ATOM 0 H VAL A 59 -3.921 4.767 -1.119 1.00 64.32 H new ATOM 0 HA VAL A 59 -4.628 4.060 -3.923 1.00 23.44 H new ATOM 0 HB VAL A 59 -5.422 2.667 -1.334 1.00 65.31 H new ATOM 0 HG11 VAL A 59 -6.064 0.770 -2.808 1.00 20.21 H new ATOM 0 HG12 VAL A 59 -6.989 2.249 -3.161 1.00 20.21 H new ATOM 0 HG13 VAL A 59 -5.654 1.758 -4.230 1.00 20.21 H new ATOM 0 HG21 VAL A 59 -3.782 0.881 -1.877 1.00 51.21 H new ATOM 0 HG22 VAL A 59 -3.170 1.872 -3.223 1.00 51.21 H new ATOM 0 HG23 VAL A 59 -3.002 2.446 -1.547 1.00 51.21 H new ATOM 995 N GLU A 60 -6.963 5.100 -3.754 1.00 2.45 N ATOM 996 CA GLU A 60 -8.202 5.914 -3.719 1.00 74.03 C ATOM 997 C GLU A 60 -9.402 5.101 -4.227 1.00 53.33 C ATOM 998 O GLU A 60 -9.274 4.333 -5.185 1.00 12.51 O ATOM 999 CB GLU A 60 -7.999 7.174 -4.587 1.00 74.03 C ATOM 1000 CG GLU A 60 -9.209 8.134 -4.677 1.00 30.34 C ATOM 1001 CD GLU A 60 -8.912 9.374 -5.537 1.00 2.15 C ATOM 1002 OE1 GLU A 60 -8.506 10.419 -4.980 1.00 32.52 O ATOM 1003 OE2 GLU A 60 -9.059 9.302 -6.778 1.00 50.43 O ATOM 0 H GLU A 60 -6.719 4.766 -4.687 1.00 2.45 H new ATOM 0 HA GLU A 60 -8.410 6.208 -2.690 1.00 74.03 H new ATOM 0 HB2 GLU A 60 -7.148 7.729 -4.194 1.00 74.03 H new ATOM 0 HB3 GLU A 60 -7.735 6.858 -5.596 1.00 74.03 H new ATOM 0 HG2 GLU A 60 -10.062 7.600 -5.096 1.00 30.34 H new ATOM 0 HG3 GLU A 60 -9.493 8.451 -3.674 1.00 30.34 H new ATOM 1010 N ARG A 61 -10.563 5.290 -3.575 1.00 11.25 N ATOM 1011 CA ARG A 61 -11.830 4.650 -3.969 1.00 22.54 C ATOM 1012 C ARG A 61 -12.405 5.323 -5.234 1.00 44.33 C ATOM 1013 O ARG A 61 -12.711 6.516 -5.219 1.00 3.25 O ATOM 1014 CB ARG A 61 -12.855 4.744 -2.803 1.00 73.31 C ATOM 1015 CG ARG A 61 -14.217 4.063 -3.077 1.00 44.40 C ATOM 1016 CD ARG A 61 -14.127 2.515 -3.230 1.00 32.42 C ATOM 1017 NE ARG A 61 -14.680 1.795 -2.063 1.00 31.55 N ATOM 1018 CZ ARG A 61 -15.961 1.413 -1.924 1.00 2.34 C ATOM 1019 NH1 ARG A 61 -16.866 1.670 -2.861 1.00 65.43 N ATOM 1020 NH2 ARG A 61 -16.335 0.767 -0.835 1.00 71.35 N ATOM 0 H ARG A 61 -10.649 5.893 -2.757 1.00 11.25 H new ATOM 0 HA ARG A 61 -11.637 3.601 -4.192 1.00 22.54 H new ATOM 0 HB2 ARG A 61 -12.413 4.295 -1.913 1.00 73.31 H new ATOM 0 HB3 ARG A 61 -13.030 5.796 -2.576 1.00 73.31 H new ATOM 0 HG2 ARG A 61 -14.901 4.299 -2.262 1.00 44.40 H new ATOM 0 HG3 ARG A 61 -14.647 4.484 -3.986 1.00 44.40 H new ATOM 0 HD2 ARG A 61 -14.664 2.211 -4.128 1.00 32.42 H new ATOM 0 HD3 ARG A 61 -13.085 2.227 -3.369 1.00 32.42 H new ATOM 0 HE ARG A 61 -14.038 1.570 -1.303 1.00 31.55 H new ATOM 0 HH11 ARG A 61 -16.595 2.168 -3.709 1.00 65.43 H new ATOM 0 HH12 ARG A 61 -17.832 1.370 -2.733 1.00 65.43 H new ATOM 0 HH21 ARG A 61 -15.653 0.561 -0.105 1.00 71.35 H new ATOM 0 HH22 ARG A 61 -17.306 0.474 -0.724 1.00 71.35 H new ATOM 1034 N GLN A 62 -12.496 4.548 -6.324 1.00 64.03 N ATOM 1035 CA GLN A 62 -13.184 4.944 -7.570 1.00 13.54 C ATOM 1036 C GLN A 62 -14.369 3.979 -7.808 1.00 34.14 C ATOM 1037 O GLN A 62 -14.164 2.807 -8.159 1.00 11.20 O ATOM 1038 CB GLN A 62 -12.191 4.913 -8.769 1.00 43.11 C ATOM 1039 CG GLN A 62 -11.049 5.953 -8.700 1.00 54.34 C ATOM 1040 CD GLN A 62 -11.543 7.400 -8.660 1.00 42.43 C ATOM 1041 OE1 GLN A 62 -11.786 8.014 -9.700 1.00 42.31 O ATOM 1042 NE2 GLN A 62 -11.655 7.974 -7.474 1.00 15.53 N ATOM 0 H GLN A 62 -12.089 3.614 -6.370 1.00 64.03 H new ATOM 0 HA GLN A 62 -13.561 5.963 -7.480 1.00 13.54 H new ATOM 0 HB2 GLN A 62 -11.752 3.917 -8.832 1.00 43.11 H new ATOM 0 HB3 GLN A 62 -12.752 5.072 -9.690 1.00 43.11 H new ATOM 0 HG2 GLN A 62 -10.445 5.759 -7.814 1.00 54.34 H new ATOM 0 HG3 GLN A 62 -10.398 5.824 -9.564 1.00 54.34 H new ATOM 0 HE21 GLN A 62 -11.448 7.442 -6.629 1.00 15.53 H new ATOM 0 HE22 GLN A 62 -11.949 8.948 -7.405 1.00 15.53 H new ATOM 1051 N GLY A 63 -15.600 4.486 -7.596 1.00 52.30 N ATOM 1052 CA GLY A 63 -16.809 3.662 -7.618 1.00 34.44 C ATOM 1053 C GLY A 63 -16.782 2.616 -6.507 1.00 42.22 C ATOM 1054 O GLY A 63 -16.780 2.977 -5.335 1.00 15.13 O ATOM 0 H GLY A 63 -15.776 5.473 -7.407 1.00 52.30 H new ATOM 0 HA2 GLY A 63 -17.688 4.297 -7.503 1.00 34.44 H new ATOM 0 HA3 GLY A 63 -16.898 3.167 -8.585 1.00 34.44 H new ATOM 1058 N ASN A 64 -16.739 1.326 -6.873 1.00 31.05 N ATOM 1059 CA ASN A 64 -16.532 0.213 -5.920 1.00 12.34 C ATOM 1060 C ASN A 64 -15.024 -0.109 -5.805 1.00 54.42 C ATOM 1061 O ASN A 64 -14.536 -0.479 -4.733 1.00 30.02 O ATOM 1062 CB ASN A 64 -17.315 -1.048 -6.395 1.00 71.32 C ATOM 1063 CG ASN A 64 -17.299 -2.207 -5.380 1.00 42.01 C ATOM 1064 OD1 ASN A 64 -16.380 -3.026 -5.358 1.00 71.31 O ATOM 1065 ND2 ASN A 64 -18.319 -2.291 -4.537 1.00 22.14 N ATOM 0 H ASN A 64 -16.847 1.019 -7.840 1.00 31.05 H new ATOM 0 HA ASN A 64 -16.905 0.510 -4.940 1.00 12.34 H new ATOM 0 HB2 ASN A 64 -18.349 -0.768 -6.597 1.00 71.32 H new ATOM 0 HB3 ASN A 64 -16.889 -1.396 -7.336 1.00 71.32 H new ATOM 0 HD21 ASN A 64 -18.353 -3.046 -3.852 1.00 22.14 H new ATOM 0 HD22 ASN A 64 -19.069 -1.601 -4.574 1.00 22.14 H new ATOM 1072 N THR A 65 -14.294 0.087 -6.920 1.00 31.33 N ATOM 1073 CA THR A 65 -12.902 -0.382 -7.077 1.00 43.11 C ATOM 1074 C THR A 65 -11.881 0.596 -6.441 1.00 10.41 C ATOM 1075 O THR A 65 -12.250 1.684 -5.989 1.00 61.41 O ATOM 1076 CB THR A 65 -12.588 -0.605 -8.592 1.00 42.32 C ATOM 1077 OG1 THR A 65 -12.730 0.626 -9.328 1.00 4.41 O ATOM 1078 CG2 THR A 65 -13.510 -1.679 -9.210 1.00 53.10 C ATOM 0 H THR A 65 -14.653 0.576 -7.740 1.00 31.33 H new ATOM 0 HA THR A 65 -12.805 -1.328 -6.545 1.00 43.11 H new ATOM 0 HB THR A 65 -11.557 -0.952 -8.659 1.00 42.32 H new ATOM 0 HG1 THR A 65 -13.160 1.299 -8.760 1.00 4.41 H new ATOM 0 HG21 THR A 65 -13.263 -1.808 -10.264 1.00 53.10 H new ATOM 0 HG22 THR A 65 -13.369 -2.625 -8.686 1.00 53.10 H new ATOM 0 HG23 THR A 65 -14.549 -1.364 -9.117 1.00 53.10 H new ATOM 1086 N TRP A 66 -10.590 0.183 -6.404 1.00 41.50 N ATOM 1087 CA TRP A 66 -9.497 0.925 -5.727 1.00 54.00 C ATOM 1088 C TRP A 66 -8.303 1.120 -6.689 1.00 54.32 C ATOM 1089 O TRP A 66 -7.626 0.152 -7.052 1.00 72.31 O ATOM 1090 CB TRP A 66 -9.031 0.151 -4.459 1.00 22.00 C ATOM 1091 CG TRP A 66 -10.081 0.041 -3.371 1.00 62.21 C ATOM 1092 CD1 TRP A 66 -10.977 -0.979 -3.177 1.00 45.34 C ATOM 1093 CD2 TRP A 66 -10.345 1.002 -2.337 1.00 33.42 C ATOM 1094 NE1 TRP A 66 -11.758 -0.714 -2.078 1.00 12.23 N ATOM 1095 CE2 TRP A 66 -11.392 0.492 -1.550 1.00 63.21 C ATOM 1096 CE3 TRP A 66 -9.791 2.243 -1.998 1.00 75.12 C ATOM 1097 CZ2 TRP A 66 -11.894 1.174 -0.451 1.00 14.22 C ATOM 1098 CZ3 TRP A 66 -10.297 2.923 -0.905 1.00 4.00 C ATOM 1099 CH2 TRP A 66 -11.340 2.381 -0.142 1.00 41.30 C ATOM 0 H TRP A 66 -10.276 -0.681 -6.846 1.00 41.50 H new ATOM 0 HA TRP A 66 -9.874 1.904 -5.430 1.00 54.00 H new ATOM 0 HB2 TRP A 66 -8.724 -0.853 -4.753 1.00 22.00 H new ATOM 0 HB3 TRP A 66 -8.151 0.646 -4.049 1.00 22.00 H new ATOM 0 HD1 TRP A 66 -11.057 -1.860 -3.796 1.00 45.34 H new ATOM 0 HE1 TRP A 66 -12.493 -1.320 -1.715 1.00 12.23 H new ATOM 0 HE3 TRP A 66 -8.983 2.662 -2.580 1.00 75.12 H new ATOM 0 HZ2 TRP A 66 -12.698 0.762 0.141 1.00 14.22 H new ATOM 0 HZ3 TRP A 66 -9.883 3.884 -0.636 1.00 4.00 H new ATOM 0 HH2 TRP A 66 -11.713 2.931 0.709 1.00 41.30 H new ATOM 1110 N THR A 67 -8.065 2.374 -7.107 1.00 24.53 N ATOM 1111 CA THR A 67 -6.934 2.736 -7.994 1.00 12.44 C ATOM 1112 C THR A 67 -5.712 3.177 -7.165 1.00 14.23 C ATOM 1113 O THR A 67 -5.844 3.533 -5.992 1.00 14.04 O ATOM 1114 CB THR A 67 -7.341 3.886 -8.985 1.00 14.44 C ATOM 1115 OG1 THR A 67 -6.332 4.056 -9.992 1.00 21.53 O ATOM 1116 CG2 THR A 67 -7.569 5.235 -8.271 1.00 44.31 C ATOM 0 H THR A 67 -8.647 3.169 -6.843 1.00 24.53 H new ATOM 0 HA THR A 67 -6.672 1.850 -8.573 1.00 12.44 H new ATOM 0 HB THR A 67 -8.285 3.584 -9.439 1.00 14.44 H new ATOM 0 HG1 THR A 67 -6.598 4.774 -10.604 1.00 21.53 H new ATOM 0 HG21 THR A 67 -7.848 5.992 -9.004 1.00 44.31 H new ATOM 0 HG22 THR A 67 -8.369 5.128 -7.538 1.00 44.31 H new ATOM 0 HG23 THR A 67 -6.652 5.539 -7.766 1.00 44.31 H new ATOM 1124 N VAL A 68 -4.522 3.146 -7.786 1.00 54.23 N ATOM 1125 CA VAL A 68 -3.278 3.637 -7.170 1.00 2.45 C ATOM 1126 C VAL A 68 -2.960 5.037 -7.708 1.00 45.24 C ATOM 1127 O VAL A 68 -2.816 5.233 -8.920 1.00 0.22 O ATOM 1128 CB VAL A 68 -2.080 2.659 -7.435 1.00 50.35 C ATOM 1129 CG1 VAL A 68 -0.782 3.135 -6.729 1.00 33.42 C ATOM 1130 CG2 VAL A 68 -2.463 1.230 -7.001 1.00 24.31 C ATOM 0 H VAL A 68 -4.395 2.780 -8.729 1.00 54.23 H new ATOM 0 HA VAL A 68 -3.423 3.687 -6.091 1.00 2.45 H new ATOM 0 HB VAL A 68 -1.872 2.655 -8.505 1.00 50.35 H new ATOM 0 HG11 VAL A 68 0.024 2.431 -6.937 1.00 33.42 H new ATOM 0 HG12 VAL A 68 -0.507 4.122 -7.100 1.00 33.42 H new ATOM 0 HG13 VAL A 68 -0.951 3.186 -5.653 1.00 33.42 H new ATOM 0 HG21 VAL A 68 -1.627 0.557 -7.188 1.00 24.31 H new ATOM 0 HG22 VAL A 68 -2.703 1.225 -5.938 1.00 24.31 H new ATOM 0 HG23 VAL A 68 -3.331 0.897 -7.570 1.00 24.31 H new ATOM 1140 N LYS A 69 -2.880 6.000 -6.789 1.00 41.43 N ATOM 1141 CA LYS A 69 -2.582 7.400 -7.096 1.00 72.30 C ATOM 1142 C LYS A 69 -1.066 7.617 -7.214 1.00 21.42 C ATOM 1143 O LYS A 69 -0.584 8.141 -8.229 1.00 3.01 O ATOM 1144 CB LYS A 69 -3.202 8.296 -5.999 1.00 0.30 C ATOM 1145 CG LYS A 69 -4.730 8.119 -5.841 1.00 75.01 C ATOM 1146 CD LYS A 69 -5.528 8.466 -7.126 1.00 53.02 C ATOM 1147 CE LYS A 69 -5.445 9.955 -7.504 1.00 32.45 C ATOM 1148 NZ LYS A 69 -6.042 10.826 -6.456 1.00 54.45 N ATOM 0 H LYS A 69 -3.023 5.827 -5.794 1.00 41.43 H new ATOM 0 HA LYS A 69 -3.019 7.669 -8.058 1.00 72.30 H new ATOM 0 HB2 LYS A 69 -2.719 8.076 -5.047 1.00 0.30 H new ATOM 0 HB3 LYS A 69 -2.988 9.339 -6.231 1.00 0.30 H new ATOM 0 HG2 LYS A 69 -4.941 7.088 -5.559 1.00 75.01 H new ATOM 0 HG3 LYS A 69 -5.079 8.751 -5.024 1.00 75.01 H new ATOM 0 HD2 LYS A 69 -5.151 7.866 -7.954 1.00 53.02 H new ATOM 0 HD3 LYS A 69 -6.573 8.191 -6.983 1.00 53.02 H new ATOM 0 HE2 LYS A 69 -4.402 10.233 -7.657 1.00 32.45 H new ATOM 0 HE3 LYS A 69 -5.961 10.119 -8.450 1.00 32.45 H new ATOM 0 HZ1 LYS A 69 -6.749 11.455 -6.888 1.00 54.45 H new ATOM 0 HZ2 LYS A 69 -6.500 10.235 -5.733 1.00 54.45 H new ATOM 0 HZ3 LYS A 69 -5.295 11.398 -6.013 1.00 54.45 H new ATOM 1162 N ARG A 70 -0.323 7.194 -6.171 1.00 53.13 N ATOM 1163 CA ARG A 70 1.151 7.277 -6.143 1.00 24.31 C ATOM 1164 C ARG A 70 1.716 6.401 -5.014 1.00 5.13 C ATOM 1165 O ARG A 70 1.104 6.265 -3.964 1.00 45.02 O ATOM 1166 CB ARG A 70 1.619 8.755 -5.969 1.00 41.00 C ATOM 1167 CG ARG A 70 3.151 8.982 -6.038 1.00 5.44 C ATOM 1168 CD ARG A 70 3.756 8.567 -7.391 1.00 62.35 C ATOM 1169 NE ARG A 70 3.148 9.303 -8.509 1.00 14.43 N ATOM 1170 CZ ARG A 70 3.174 8.937 -9.806 1.00 53.25 C ATOM 1171 NH1 ARG A 70 3.804 7.828 -10.209 1.00 63.53 N ATOM 1172 NH2 ARG A 70 2.535 9.679 -10.701 1.00 52.41 N ATOM 0 H ARG A 70 -0.726 6.787 -5.327 1.00 53.13 H new ATOM 0 HA ARG A 70 1.531 6.907 -7.095 1.00 24.31 H new ATOM 0 HB2 ARG A 70 1.144 9.361 -6.740 1.00 41.00 H new ATOM 0 HB3 ARG A 70 1.258 9.122 -5.008 1.00 41.00 H new ATOM 0 HG2 ARG A 70 3.366 10.035 -5.857 1.00 5.44 H new ATOM 0 HG3 ARG A 70 3.634 8.417 -5.241 1.00 5.44 H new ATOM 0 HD2 ARG A 70 4.831 8.747 -7.379 1.00 62.35 H new ATOM 0 HD3 ARG A 70 3.614 7.497 -7.540 1.00 62.35 H new ATOM 0 HE ARG A 70 2.662 10.170 -8.282 1.00 14.43 H new ATOM 0 HH11 ARG A 70 4.280 7.236 -9.528 1.00 63.53 H new ATOM 0 HH12 ARG A 70 3.808 7.574 -11.197 1.00 63.53 H new ATOM 0 HH21 ARG A 70 2.032 10.515 -10.404 1.00 52.41 H new ATOM 0 HH22 ARG A 70 2.547 9.413 -11.686 1.00 52.41 H new ATOM 1186 N ILE A 71 2.877 5.784 -5.270 1.00 71.34 N ATOM 1187 CA ILE A 71 3.646 5.048 -4.258 1.00 63.34 C ATOM 1188 C ILE A 71 4.841 5.925 -3.840 1.00 34.13 C ATOM 1189 O ILE A 71 5.785 6.105 -4.615 1.00 54.32 O ATOM 1190 CB ILE A 71 4.136 3.659 -4.830 1.00 30.21 C ATOM 1191 CG1 ILE A 71 2.923 2.846 -5.386 1.00 31.53 C ATOM 1192 CG2 ILE A 71 4.903 2.849 -3.760 1.00 74.44 C ATOM 1193 CD1 ILE A 71 3.280 1.540 -6.068 1.00 63.01 C ATOM 0 H ILE A 71 3.312 5.782 -6.192 1.00 71.34 H new ATOM 0 HA ILE A 71 3.021 4.835 -3.391 1.00 63.34 H new ATOM 0 HB ILE A 71 4.828 3.853 -5.649 1.00 30.21 H new ATOM 0 HG12 ILE A 71 2.241 2.633 -4.563 1.00 31.53 H new ATOM 0 HG13 ILE A 71 2.381 3.472 -6.095 1.00 31.53 H new ATOM 0 HG21 ILE A 71 5.226 1.899 -4.185 1.00 74.44 H new ATOM 0 HG22 ILE A 71 5.775 3.415 -3.431 1.00 74.44 H new ATOM 0 HG23 ILE A 71 4.250 2.661 -2.908 1.00 74.44 H new ATOM 0 HD11 ILE A 71 2.370 1.052 -6.418 1.00 63.01 H new ATOM 0 HD12 ILE A 71 3.935 1.740 -6.916 1.00 63.01 H new ATOM 0 HD13 ILE A 71 3.792 0.888 -5.360 1.00 63.01 H new ATOM 1205 N THR A 72 4.759 6.504 -2.637 1.00 35.41 N ATOM 1206 CA THR A 72 5.784 7.403 -2.097 1.00 20.14 C ATOM 1207 C THR A 72 6.710 6.608 -1.151 1.00 42.03 C ATOM 1208 O THR A 72 6.324 6.286 -0.028 1.00 22.41 O ATOM 1209 CB THR A 72 5.091 8.584 -1.322 1.00 55.30 C ATOM 1210 OG1 THR A 72 4.160 9.258 -2.192 1.00 1.04 O ATOM 1211 CG2 THR A 72 6.107 9.605 -0.766 1.00 72.53 C ATOM 0 H THR A 72 3.971 6.360 -2.005 1.00 35.41 H new ATOM 0 HA THR A 72 6.379 7.819 -2.910 1.00 20.14 H new ATOM 0 HB THR A 72 4.568 8.147 -0.471 1.00 55.30 H new ATOM 0 HG1 THR A 72 3.245 9.095 -1.881 1.00 1.04 H new ATOM 0 HG21 THR A 72 5.575 10.398 -0.241 1.00 72.53 H new ATOM 0 HG22 THR A 72 6.785 9.104 -0.075 1.00 72.53 H new ATOM 0 HG23 THR A 72 6.679 10.034 -1.589 1.00 72.53 H new ATOM 1219 N ARG A 73 7.926 6.276 -1.622 1.00 30.42 N ATOM 1220 CA ARG A 73 8.937 5.609 -0.783 1.00 11.40 C ATOM 1221 C ARG A 73 9.731 6.662 -0.005 1.00 35.22 C ATOM 1222 O ARG A 73 9.956 7.775 -0.510 1.00 52.32 O ATOM 1223 CB ARG A 73 9.930 4.769 -1.634 1.00 74.13 C ATOM 1224 CG ARG A 73 10.888 3.888 -0.784 1.00 40.24 C ATOM 1225 CD ARG A 73 12.091 3.367 -1.577 1.00 51.33 C ATOM 1226 NE ARG A 73 12.952 4.466 -2.042 1.00 75.32 N ATOM 1227 CZ ARG A 73 14.184 4.319 -2.547 1.00 20.51 C ATOM 1228 NH1 ARG A 73 14.742 3.109 -2.667 1.00 43.32 N ATOM 1229 NH2 ARG A 73 14.854 5.394 -2.938 1.00 40.15 N ATOM 0 H ARG A 73 8.231 6.459 -2.578 1.00 30.42 H new ATOM 0 HA ARG A 73 8.411 4.939 -0.103 1.00 11.40 H new ATOM 0 HB2 ARG A 73 9.364 4.128 -2.310 1.00 74.13 H new ATOM 0 HB3 ARG A 73 10.523 5.441 -2.254 1.00 74.13 H new ATOM 0 HG2 ARG A 73 11.245 4.468 0.067 1.00 40.24 H new ATOM 0 HG3 ARG A 73 10.332 3.041 -0.382 1.00 40.24 H new ATOM 0 HD2 ARG A 73 12.672 2.688 -0.953 1.00 51.33 H new ATOM 0 HD3 ARG A 73 11.741 2.791 -2.434 1.00 51.33 H new ATOM 0 HE ARG A 73 12.582 5.414 -1.975 1.00 75.32 H new ATOM 0 HH11 ARG A 73 14.228 2.279 -2.372 1.00 43.32 H new ATOM 0 HH12 ARG A 73 15.681 3.017 -3.054 1.00 43.32 H new ATOM 0 HH21 ARG A 73 14.431 6.318 -2.852 1.00 40.15 H new ATOM 0 HH22 ARG A 73 15.793 5.297 -3.324 1.00 40.15 H new ATOM 1243 N THR A 74 10.160 6.295 1.210 1.00 12.11 N ATOM 1244 CA THR A 74 11.088 7.104 2.014 1.00 72.44 C ATOM 1245 C THR A 74 12.444 7.260 1.271 1.00 63.21 C ATOM 1246 O THR A 74 12.945 6.293 0.667 1.00 34.41 O ATOM 1247 CB THR A 74 11.295 6.475 3.442 1.00 71.34 C ATOM 1248 OG1 THR A 74 12.174 7.301 4.223 1.00 65.24 O ATOM 1249 CG2 THR A 74 11.850 5.029 3.390 1.00 61.13 C ATOM 0 H THR A 74 9.873 5.428 1.664 1.00 12.11 H new ATOM 0 HA THR A 74 10.653 8.094 2.151 1.00 72.44 H new ATOM 0 HB THR A 74 10.311 6.426 3.908 1.00 71.34 H new ATOM 0 HG1 THR A 74 12.295 6.902 5.110 1.00 65.24 H new ATOM 0 HG21 THR A 74 11.971 4.649 4.404 1.00 61.13 H new ATOM 0 HG22 THR A 74 11.154 4.392 2.845 1.00 61.13 H new ATOM 0 HG23 THR A 74 12.816 5.028 2.884 1.00 61.13 H new ATOM 1257 N VAL A 75 13.003 8.488 1.280 1.00 20.31 N ATOM 1258 CA VAL A 75 14.278 8.790 0.602 1.00 34.44 C ATOM 1259 C VAL A 75 15.438 8.249 1.460 1.00 51.02 C ATOM 1260 O VAL A 75 15.795 8.852 2.481 1.00 41.33 O ATOM 1261 CB VAL A 75 14.450 10.344 0.334 1.00 3.52 C ATOM 1262 CG1 VAL A 75 15.756 10.655 -0.448 1.00 24.22 C ATOM 1263 CG2 VAL A 75 13.210 10.932 -0.390 1.00 2.01 C ATOM 0 H VAL A 75 12.587 9.290 1.753 1.00 20.31 H new ATOM 0 HA VAL A 75 14.281 8.302 -0.373 1.00 34.44 H new ATOM 0 HB VAL A 75 14.531 10.830 1.306 1.00 3.52 H new ATOM 0 HG11 VAL A 75 15.835 11.730 -0.611 1.00 24.22 H new ATOM 0 HG12 VAL A 75 16.615 10.311 0.127 1.00 24.22 H new ATOM 0 HG13 VAL A 75 15.735 10.143 -1.410 1.00 24.22 H new ATOM 0 HG21 VAL A 75 13.359 11.998 -0.559 1.00 2.01 H new ATOM 0 HG22 VAL A 75 13.075 10.428 -1.347 1.00 2.01 H new ATOM 0 HG23 VAL A 75 12.324 10.783 0.227 1.00 2.01 H new ATOM 1273 N GLY A 76 15.991 7.086 1.052 1.00 22.40 N ATOM 1274 CA GLY A 76 17.088 6.445 1.780 1.00 51.20 C ATOM 1275 C GLY A 76 18.394 7.224 1.663 1.00 72.02 C ATOM 1276 O GLY A 76 19.017 7.570 2.668 1.00 43.03 O ATOM 0 H GLY A 76 15.689 6.578 0.221 1.00 22.40 H new ATOM 0 HA2 GLY A 76 16.817 6.351 2.832 1.00 51.20 H new ATOM 0 HA3 GLY A 76 17.234 5.435 1.397 1.00 51.20 H new ATOM 1280 N SER A 77 18.774 7.524 0.416 1.00 5.13 N ATOM 1281 CA SER A 77 19.991 8.267 0.080 1.00 74.31 C ATOM 1282 C SER A 77 19.592 9.580 -0.609 1.00 21.01 C ATOM 1283 O SER A 77 19.049 9.563 -1.722 1.00 70.03 O ATOM 1284 CB SER A 77 20.882 7.409 -0.853 1.00 62.41 C ATOM 1285 OG SER A 77 21.175 6.150 -0.270 1.00 41.01 O ATOM 0 H SER A 77 18.232 7.251 -0.404 1.00 5.13 H new ATOM 0 HA SER A 77 20.558 8.493 0.983 1.00 74.31 H new ATOM 0 HB2 SER A 77 20.377 7.262 -1.808 1.00 62.41 H new ATOM 0 HB3 SER A 77 21.810 7.940 -1.063 1.00 62.41 H new ATOM 0 HG SER A 77 21.737 5.629 -0.881 1.00 41.01 H new ATOM 1291 N LEU A 78 19.822 10.708 0.079 1.00 52.33 N ATOM 1292 CA LEU A 78 19.510 12.042 -0.452 1.00 14.51 C ATOM 1293 C LEU A 78 20.592 12.460 -1.464 1.00 53.03 C ATOM 1294 O LEU A 78 21.718 12.803 -1.085 1.00 30.21 O ATOM 1295 CB LEU A 78 19.392 13.082 0.702 1.00 15.42 C ATOM 1296 CG LEU A 78 19.037 14.551 0.281 1.00 10.23 C ATOM 1297 CD1 LEU A 78 17.699 14.611 -0.482 1.00 52.41 C ATOM 1298 CD2 LEU A 78 19.035 15.500 1.504 1.00 60.21 C ATOM 0 H LEU A 78 20.228 10.721 1.015 1.00 52.33 H new ATOM 0 HA LEU A 78 18.547 12.006 -0.962 1.00 14.51 H new ATOM 0 HB2 LEU A 78 18.631 12.733 1.400 1.00 15.42 H new ATOM 0 HB3 LEU A 78 20.338 13.101 1.244 1.00 15.42 H new ATOM 0 HG LEU A 78 19.815 14.895 -0.401 1.00 10.23 H new ATOM 0 HD11 LEU A 78 17.484 15.643 -0.758 1.00 52.41 H new ATOM 0 HD12 LEU A 78 17.766 14.001 -1.383 1.00 52.41 H new ATOM 0 HD13 LEU A 78 16.900 14.232 0.155 1.00 52.41 H new ATOM 0 HD21 LEU A 78 18.786 16.510 1.180 1.00 60.21 H new ATOM 0 HD22 LEU A 78 18.296 15.158 2.228 1.00 60.21 H new ATOM 0 HD23 LEU A 78 20.022 15.500 1.966 1.00 60.21 H new ATOM 1310 N GLU A 79 20.241 12.370 -2.753 1.00 22.25 N ATOM 1311 CA GLU A 79 21.103 12.800 -3.859 1.00 55.03 C ATOM 1312 C GLU A 79 21.063 14.338 -3.967 1.00 71.14 C ATOM 1313 O GLU A 79 20.221 14.905 -4.674 1.00 3.34 O ATOM 1314 CB GLU A 79 20.640 12.119 -5.176 1.00 72.14 C ATOM 1315 CG GLU A 79 20.718 10.577 -5.153 1.00 73.11 C ATOM 1316 CD GLU A 79 20.179 9.932 -6.437 1.00 20.44 C ATOM 1317 OE1 GLU A 79 18.944 9.759 -6.550 1.00 55.11 O ATOM 1318 OE2 GLU A 79 20.980 9.602 -7.343 1.00 74.24 O ATOM 0 H GLU A 79 19.344 11.994 -3.059 1.00 22.25 H new ATOM 0 HA GLU A 79 22.134 12.500 -3.674 1.00 55.03 H new ATOM 0 HB2 GLU A 79 19.612 12.416 -5.384 1.00 72.14 H new ATOM 0 HB3 GLU A 79 21.252 12.490 -5.998 1.00 72.14 H new ATOM 0 HG2 GLU A 79 21.755 10.273 -5.007 1.00 73.11 H new ATOM 0 HG3 GLU A 79 20.153 10.202 -4.299 1.00 73.11 H new ATOM 1325 N HIS A 80 21.950 14.999 -3.204 1.00 44.24 N ATOM 1326 CA HIS A 80 22.010 16.469 -3.113 1.00 32.24 C ATOM 1327 C HIS A 80 23.484 16.925 -3.107 1.00 35.33 C ATOM 1328 O HIS A 80 24.340 16.276 -2.493 1.00 4.14 O ATOM 1329 CB HIS A 80 21.266 16.952 -1.834 1.00 4.21 C ATOM 1330 CG HIS A 80 21.142 18.452 -1.709 1.00 11.43 C ATOM 1331 ND1 HIS A 80 20.103 19.167 -2.256 1.00 14.43 N ATOM 1332 CD2 HIS A 80 21.933 19.365 -1.101 1.00 15.02 C ATOM 1333 CE1 HIS A 80 20.266 20.448 -1.994 1.00 11.51 C ATOM 1334 NE2 HIS A 80 21.370 20.596 -1.298 1.00 73.45 N ATOM 0 H HIS A 80 22.649 14.527 -2.630 1.00 44.24 H new ATOM 0 HA HIS A 80 21.516 16.912 -3.978 1.00 32.24 H new ATOM 0 HB2 HIS A 80 20.267 16.516 -1.824 1.00 4.21 H new ATOM 0 HB3 HIS A 80 21.790 16.569 -0.958 1.00 4.21 H new ATOM 0 HD2 HIS A 80 22.844 19.159 -0.558 1.00 15.02 H new ATOM 0 HE1 HIS A 80 19.603 21.243 -2.300 1.00 11.51 H new ATOM 0 HE2 HIS A 80 21.745 21.482 -0.960 1.00 73.45 H new ATOM 1343 N HIS A 81 23.748 18.058 -3.786 1.00 34.13 N ATOM 1344 CA HIS A 81 25.105 18.618 -3.962 1.00 72.51 C ATOM 1345 C HIS A 81 25.577 19.309 -2.670 1.00 1.02 C ATOM 1346 O HIS A 81 24.788 19.968 -1.990 1.00 70.33 O ATOM 1347 CB HIS A 81 25.123 19.624 -5.150 1.00 71.22 C ATOM 1348 CG HIS A 81 24.833 19.012 -6.498 1.00 74.23 C ATOM 1349 ND1 HIS A 81 25.660 19.167 -7.588 1.00 22.40 N ATOM 1350 CD2 HIS A 81 23.804 18.237 -6.926 1.00 23.54 C ATOM 1351 CE1 HIS A 81 25.152 18.528 -8.622 1.00 13.32 C ATOM 1352 NE2 HIS A 81 24.035 17.951 -8.243 1.00 23.03 N ATOM 0 H HIS A 81 23.020 18.616 -4.232 1.00 34.13 H new ATOM 0 HA HIS A 81 25.790 17.800 -4.185 1.00 72.51 H new ATOM 0 HB2 HIS A 81 24.390 20.407 -4.956 1.00 71.22 H new ATOM 0 HB3 HIS A 81 26.101 20.104 -5.187 1.00 71.22 H new ATOM 0 HD2 HIS A 81 22.961 17.908 -6.337 1.00 23.54 H new ATOM 0 HE1 HIS A 81 25.581 18.486 -9.612 1.00 13.32 H new ATOM 0 HE2 HIS A 81 23.434 17.380 -8.837 1.00 23.03 H new ATOM 1361 N HIS A 82 26.870 19.159 -2.356 1.00 41.33 N ATOM 1362 CA HIS A 82 27.480 19.742 -1.143 1.00 34.44 C ATOM 1363 C HIS A 82 27.951 21.183 -1.414 1.00 31.24 C ATOM 1364 O HIS A 82 28.385 21.495 -2.529 1.00 14.23 O ATOM 1365 CB HIS A 82 28.678 18.880 -0.670 1.00 42.10 C ATOM 1366 CG HIS A 82 28.328 17.466 -0.306 1.00 70.55 C ATOM 1367 ND1 HIS A 82 28.096 17.054 0.990 1.00 43.32 N ATOM 1368 CD2 HIS A 82 28.191 16.362 -1.076 1.00 53.45 C ATOM 1369 CE1 HIS A 82 27.838 15.763 0.999 1.00 40.42 C ATOM 1370 NE2 HIS A 82 27.889 15.324 -0.241 1.00 52.21 N ATOM 0 H HIS A 82 27.526 18.632 -2.932 1.00 41.33 H new ATOM 0 HA HIS A 82 26.724 19.759 -0.358 1.00 34.44 H new ATOM 0 HB2 HIS A 82 29.429 18.862 -1.459 1.00 42.10 H new ATOM 0 HB3 HIS A 82 29.135 19.361 0.195 1.00 42.10 H new ATOM 0 HD2 HIS A 82 28.300 16.311 -2.149 1.00 53.45 H new ATOM 0 HE1 HIS A 82 27.622 15.167 1.873 1.00 40.42 H new ATOM 0 HE2 HIS A 82 27.728 14.360 -0.533 1.00 52.21 H new ATOM 1379 N HIS A 83 27.860 22.044 -0.382 1.00 20.54 N ATOM 1380 CA HIS A 83 28.339 23.445 -0.447 1.00 54.33 C ATOM 1381 C HIS A 83 29.873 23.500 -0.343 1.00 31.01 C ATOM 1382 O HIS A 83 30.503 22.563 0.157 1.00 61.52 O ATOM 1383 CB HIS A 83 27.685 24.313 0.677 1.00 74.12 C ATOM 1384 CG HIS A 83 28.027 23.903 2.098 1.00 11.24 C ATOM 1385 ND1 HIS A 83 27.129 23.267 2.932 1.00 65.12 N ATOM 1386 CD2 HIS A 83 29.158 24.057 2.836 1.00 1.24 C ATOM 1387 CE1 HIS A 83 27.692 23.051 4.103 1.00 24.44 C ATOM 1388 NE2 HIS A 83 28.921 23.520 4.070 1.00 11.30 N ATOM 0 H HIS A 83 27.454 21.792 0.519 1.00 20.54 H new ATOM 0 HA HIS A 83 28.042 23.857 -1.412 1.00 54.33 H new ATOM 0 HB2 HIS A 83 27.987 25.350 0.534 1.00 74.12 H new ATOM 0 HB3 HIS A 83 26.602 24.277 0.557 1.00 74.12 H new ATOM 0 HD2 HIS A 83 30.077 24.520 2.507 1.00 1.24 H new ATOM 0 HE1 HIS A 83 27.223 22.570 4.949 1.00 24.44 H new ATOM 0 HE2 HIS A 83 29.589 23.488 4.841 1.00 11.30 H new ATOM 1397 N HIS A 84 30.458 24.610 -0.809 1.00 1.42 N ATOM 1398 CA HIS A 84 31.897 24.896 -0.638 1.00 14.02 C ATOM 1399 C HIS A 84 32.109 25.541 0.741 1.00 30.22 C ATOM 1400 O HIS A 84 32.695 24.933 1.643 1.00 43.31 O ATOM 1401 CB HIS A 84 32.416 25.817 -1.776 1.00 22.23 C ATOM 1402 CG HIS A 84 32.275 25.213 -3.144 1.00 13.00 C ATOM 1403 ND1 HIS A 84 31.402 25.690 -4.094 1.00 53.24 N ATOM 1404 CD2 HIS A 84 32.888 24.140 -3.703 1.00 60.35 C ATOM 1405 CE1 HIS A 84 31.480 24.941 -5.172 1.00 65.01 C ATOM 1406 NE2 HIS A 84 32.373 23.992 -4.965 1.00 22.44 N ATOM 0 H HIS A 84 29.953 25.337 -1.315 1.00 1.42 H new ATOM 0 HA HIS A 84 32.466 23.968 -0.693 1.00 14.02 H new ATOM 0 HB2 HIS A 84 31.872 26.761 -1.746 1.00 22.23 H new ATOM 0 HB3 HIS A 84 33.466 26.048 -1.596 1.00 22.23 H new ATOM 0 HD2 HIS A 84 33.641 23.519 -3.241 1.00 60.35 H new ATOM 0 HE1 HIS A 84 30.908 25.080 -6.077 1.00 65.01 H new ATOM 0 HE2 HIS A 84 32.637 23.268 -5.633 1.00 22.44 H new ATOM 1415 N HIS A 85 31.585 26.770 0.904 1.00 4.25 N ATOM 1416 CA HIS A 85 31.641 27.528 2.168 1.00 10.02 C ATOM 1417 C HIS A 85 30.220 28.046 2.478 1.00 25.02 C ATOM 1418 O HIS A 85 29.772 29.014 1.818 1.00 14.15 O ATOM 1419 CB HIS A 85 32.663 28.705 2.073 1.00 1.21 C ATOM 1420 CG HIS A 85 34.088 28.264 1.893 1.00 41.11 C ATOM 1421 ND1 HIS A 85 34.968 28.127 2.945 1.00 70.23 N ATOM 1422 CD2 HIS A 85 34.785 27.935 0.781 1.00 64.34 C ATOM 1423 CE1 HIS A 85 36.135 27.722 2.484 1.00 24.43 C ATOM 1424 NE2 HIS A 85 36.049 27.603 1.177 1.00 12.24 N ATOM 1425 OXT HIS A 85 29.541 27.475 3.358 1.00 37.38 O ATOM 0 H HIS A 85 31.106 27.270 0.155 1.00 4.25 H new ATOM 0 HA HIS A 85 31.983 26.880 2.975 1.00 10.02 H new ATOM 0 HB2 HIS A 85 32.384 29.348 1.238 1.00 1.21 H new ATOM 0 HB3 HIS A 85 32.592 29.308 2.978 1.00 1.21 H new ATOM 0 HD2 HIS A 85 34.411 27.935 -0.232 1.00 64.34 H new ATOM 0 HE1 HIS A 85 37.014 27.522 3.079 1.00 24.43 H new ATOM 0 HE2 HIS A 85 36.805 27.310 0.558 1.00 12.24 H new TER 1434 HIS A 85