USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1036 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 70 TYR OH : rot 136:sc= -0.914 USER MOD Set 1.2: A 71 ASN : amide:sc= -7.56! C(o=-8.5!,f=-18!) USER MOD Single : A 1 MET CE :methyl -108:sc= -1.35 (180deg=-3.92!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0205) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 35 GLN : amide:sc= -1.5 K(o=-1.5,f=0.57) USER MOD Single : A 40 HIS : no HE2:sc= -0.712 K(o=-0.71,f=-1.5) USER MOD Single : A 43 MET CE :methyl 169:sc= -0.0118 (180deg=-0.246) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00645 X(o=-0.0065,f=-0.13) USER MOD Single : A 53 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.7!) USER MOD Single : A 55 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -2.6 K(o=-2.6,f=-1.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.53) USER MOD Single : A 75 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.16) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -5.69! C(o=-5.7!,f=-6.9!) USER MOD Single : A 92 SER OG : rot -52:sc= 0.815 USER MOD Single : A 94 MET CE :methyl 143:sc= -1.3 (180deg=-3.91!) USER MOD Single : A 95 MET CE :methyl -166:sc= -4.62! (180deg=-5.43!) USER MOD Single : A 96 HIS : no HE2:sc= -5.2 K(o=-5.2,f=-4.6!) USER MOD Single : A 97 TYR OH : rot -9:sc= 1.43 USER MOD Single : A 99 THR OG1 : rot 180:sc= -2.28 USER MOD Single : A 103 ASN : amide:sc= -0.938 K(o=-0.94,f=-5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 153:sc= -1.23! (180deg=-1.47!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.749 USER MOD Single : A 114 LYS NZ :NH3+ -112:sc= -0.468 (180deg=-2.5!) USER MOD Single : A 118 GLN : amide:sc= -7.58 K(o=-7.6,f=-20!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -1.01 K(o=-1,f=-0.16) USER MOD Single : A 125 GLN : amide:sc= -2.76 K(o=-2.8,f=-6.2!) USER MOD Single : A 127 GLN : amide:sc= -6.25 K(o=-6.2,f=-11!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.897 4.546 17.379 1.00 0.00 N ATOM 2 CA MET A 1 9.989 3.549 17.227 1.00 0.00 C ATOM 3 C MET A 1 10.920 3.922 16.078 1.00 0.00 C ATOM 4 O MET A 1 12.076 4.285 16.295 1.00 0.00 O ATOM 5 CB MET A 1 9.363 2.176 16.975 1.00 0.00 C ATOM 6 CG MET A 1 10.385 1.063 16.810 1.00 0.00 C ATOM 7 SD MET A 1 10.985 0.430 18.388 1.00 0.00 S ATOM 8 CE MET A 1 9.584 -0.554 18.913 1.00 0.00 C ATOM 0 H1 MET A 1 8.279 4.267 18.168 1.00 0.00 H new ATOM 0 H2 MET A 1 9.306 5.482 17.574 1.00 0.00 H new ATOM 0 H3 MET A 1 8.340 4.588 16.501 1.00 0.00 H new ATOM 0 HA MET A 1 10.585 3.529 18.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.701 1.930 17.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.745 2.227 16.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.939 0.247 16.242 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.228 1.433 16.227 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.079 -0.055 19.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.890 -0.671 18.081 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.930 -1.535 19.238 1.00 0.00 H new ATOM 20 N ALA A 2 10.409 3.829 14.855 1.00 0.00 N ATOM 21 CA ALA A 2 11.194 4.157 13.672 1.00 0.00 C ATOM 22 C ALA A 2 11.353 5.666 13.519 1.00 0.00 C ATOM 23 O ALA A 2 12.437 6.158 13.205 1.00 0.00 O ATOM 24 CB ALA A 2 10.548 3.565 12.429 1.00 0.00 C ATOM 0 H ALA A 2 9.454 3.529 14.658 1.00 0.00 H new ATOM 0 HA ALA A 2 12.187 3.724 13.794 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.145 3.818 11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.492 2.481 12.529 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.543 3.971 12.313 1.00 0.00 H new ATOM 30 N ASP A 3 10.265 6.396 13.743 1.00 0.00 N ATOM 31 CA ASP A 3 10.284 7.850 13.631 1.00 0.00 C ATOM 32 C ASP A 3 10.662 8.282 12.218 1.00 0.00 C ATOM 33 O ASP A 3 10.842 7.448 11.331 1.00 0.00 O ATOM 34 CB ASP A 3 11.267 8.447 14.640 1.00 0.00 C ATOM 35 CG ASP A 3 10.607 8.778 15.964 1.00 0.00 C ATOM 36 OD1 ASP A 3 9.601 9.519 15.958 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 11.095 8.296 17.008 1.00 0.00 O ATOM 0 H ASP A 3 9.360 6.005 14.003 1.00 0.00 H new ATOM 0 HA ASP A 3 9.282 8.220 13.848 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.082 7.743 14.809 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.709 9.351 14.221 1.00 0.00 H new ATOM 42 N GLU A 4 10.781 9.590 12.017 1.00 0.00 N ATOM 43 CA GLU A 4 11.138 10.133 10.711 1.00 0.00 C ATOM 44 C GLU A 4 10.095 9.760 9.663 1.00 0.00 C ATOM 45 O GLU A 4 10.424 9.541 8.497 1.00 0.00 O ATOM 46 CB GLU A 4 12.515 9.624 10.282 1.00 0.00 C ATOM 47 CG GLU A 4 13.667 10.449 10.831 1.00 0.00 C ATOM 48 CD GLU A 4 14.798 10.607 9.833 1.00 0.00 C ATOM 49 OE1 GLU A 4 15.520 9.617 9.592 1.00 0.00 O ATOM 50 OE2 GLU A 4 14.961 11.722 9.293 1.00 0.00 O1- ATOM 0 H GLU A 4 10.636 10.294 12.741 1.00 0.00 H new ATOM 0 HA GLU A 4 11.170 11.219 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.630 8.591 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.569 9.620 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.299 11.434 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.049 9.976 11.736 1.00 0.00 H new ATOM 57 N GLN A 5 8.836 9.690 10.085 1.00 0.00 N ATOM 58 CA GLN A 5 7.743 9.345 9.183 1.00 0.00 C ATOM 59 C GLN A 5 6.411 9.301 9.930 1.00 0.00 C ATOM 60 O GLN A 5 5.454 9.974 9.546 1.00 0.00 O ATOM 61 CB GLN A 5 8.011 7.997 8.506 1.00 0.00 C ATOM 62 CG GLN A 5 8.451 8.121 7.057 1.00 0.00 C ATOM 63 CD GLN A 5 9.459 7.060 6.660 1.00 0.00 C ATOM 64 OE1 GLN A 5 9.730 6.130 7.420 1.00 0.00 O ATOM 65 NE2 GLN A 5 10.020 7.194 5.464 1.00 0.00 N ATOM 0 H GLN A 5 8.548 9.868 11.047 1.00 0.00 H new ATOM 0 HA GLN A 5 7.683 10.118 8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.780 7.465 9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.106 7.391 8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.578 8.048 6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.885 9.108 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.766 7.981 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.705 6.510 5.143 1.00 0.00 H new ATOM 74 N PRO A 6 6.328 8.506 11.013 1.00 0.00 N ATOM 75 CA PRO A 6 5.102 8.384 11.808 1.00 0.00 C ATOM 76 C PRO A 6 4.558 9.740 12.245 1.00 0.00 C ATOM 77 O PRO A 6 5.319 10.641 12.598 1.00 0.00 O ATOM 78 CB PRO A 6 5.544 7.569 13.026 1.00 0.00 C ATOM 79 CG PRO A 6 6.723 6.792 12.553 1.00 0.00 C ATOM 80 CD PRO A 6 7.419 7.667 11.547 1.00 0.00 C ATOM 0 HA PRO A 6 4.295 7.922 11.240 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.806 8.217 13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.748 6.910 13.371 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.387 6.546 13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.414 5.849 12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.200 8.270 12.010 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.894 7.078 10.762 1.00 0.00 H new ATOM 88 N LYS A 7 3.236 9.879 12.219 1.00 0.00 N ATOM 89 CA LYS A 7 2.590 11.125 12.613 1.00 0.00 C ATOM 90 C LYS A 7 3.049 12.280 11.728 1.00 0.00 C ATOM 91 O LYS A 7 4.126 12.840 11.929 1.00 0.00 O ATOM 92 CB LYS A 7 2.893 11.440 14.079 1.00 0.00 C ATOM 93 CG LYS A 7 1.937 12.448 14.695 1.00 0.00 C ATOM 94 CD LYS A 7 2.505 13.857 14.645 1.00 0.00 C ATOM 95 CE LYS A 7 2.084 14.671 15.857 1.00 0.00 C ATOM 96 NZ LYS A 7 0.604 14.820 15.940 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.592 9.143 11.929 1.00 0.00 H new ATOM 0 HA LYS A 7 1.514 11.001 12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.855 10.516 14.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.911 11.822 14.157 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.985 12.419 14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.734 12.173 15.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.593 13.810 14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.167 14.355 13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.452 14.189 16.763 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.546 15.657 15.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.363 15.464 16.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.244 15.209 15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.171 13.890 16.113 1.00 0.00 H new ATOM 110 N LYS A 8 2.223 12.630 10.747 1.00 0.00 N ATOM 111 CA LYS A 8 2.544 13.718 9.830 1.00 0.00 C ATOM 112 C LYS A 8 1.338 14.071 8.962 1.00 0.00 C ATOM 113 O LYS A 8 0.412 13.273 8.817 1.00 0.00 O ATOM 114 CB LYS A 8 3.731 13.334 8.945 1.00 0.00 C ATOM 115 CG LYS A 8 5.076 13.746 9.519 1.00 0.00 C ATOM 116 CD LYS A 8 6.070 14.086 8.421 1.00 0.00 C ATOM 117 CE LYS A 8 6.740 12.838 7.870 1.00 0.00 C ATOM 118 NZ LYS A 8 7.949 13.165 7.064 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.327 12.177 10.567 1.00 0.00 H new ATOM 0 HA LYS A 8 2.811 14.593 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.726 12.255 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.607 13.795 7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.945 14.609 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.473 12.938 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.558 14.611 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.828 14.765 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.020 12.183 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.030 12.288 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.376 12.287 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.679 13.770 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.638 13.667 7.660 1.00 0.00 H new ATOM 132 N PRO A 9 1.335 15.278 8.369 1.00 0.00 N ATOM 133 CA PRO A 9 0.237 15.733 7.511 1.00 0.00 C ATOM 134 C PRO A 9 0.180 14.971 6.192 1.00 0.00 C ATOM 135 O PRO A 9 1.204 14.753 5.544 1.00 0.00 O ATOM 136 CB PRO A 9 0.565 17.207 7.263 1.00 0.00 C ATOM 137 CG PRO A 9 2.041 17.300 7.434 1.00 0.00 C ATOM 138 CD PRO A 9 2.401 16.291 8.488 1.00 0.00 C ATOM 0 HA PRO A 9 -0.736 15.572 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.262 17.517 6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.043 17.853 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.556 17.087 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.336 18.304 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.387 15.860 8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.422 16.738 9.482 1.00 0.00 H new ATOM 146 N VAL A 10 -1.024 14.568 5.798 1.00 0.00 N ATOM 147 CA VAL A 10 -1.214 13.829 4.556 1.00 0.00 C ATOM 148 C VAL A 10 -1.911 14.693 3.504 1.00 0.00 C ATOM 149 O VAL A 10 -2.607 15.652 3.838 1.00 0.00 O ATOM 150 CB VAL A 10 -2.031 12.539 4.789 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.475 11.764 5.974 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.504 12.857 4.998 1.00 0.00 C ATOM 0 H VAL A 10 -1.882 14.741 6.321 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.224 13.555 4.191 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.945 11.917 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.062 10.858 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.437 11.495 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.527 12.383 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.057 11.932 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.617 13.504 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.896 13.364 4.116 1.00 0.00 H new ATOM 162 N PRO A 11 -1.730 14.362 2.215 1.00 0.00 N ATOM 163 CA PRO A 11 -2.343 15.110 1.114 1.00 0.00 C ATOM 164 C PRO A 11 -3.836 14.828 0.981 1.00 0.00 C ATOM 165 O PRO A 11 -4.444 14.224 1.865 1.00 0.00 O ATOM 166 CB PRO A 11 -1.591 14.600 -0.115 1.00 0.00 C ATOM 167 CG PRO A 11 -1.172 13.217 0.247 1.00 0.00 C ATOM 168 CD PRO A 11 -0.914 13.233 1.730 1.00 0.00 C ATOM 0 HA PRO A 11 -2.271 16.188 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.229 14.602 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.730 15.228 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.949 12.496 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.276 12.925 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.211 12.294 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.143 13.379 1.951 1.00 0.00 H new ATOM 176 N ALA A 12 -4.420 15.268 -0.128 1.00 0.00 N ATOM 177 CA ALA A 12 -5.841 15.062 -0.377 1.00 0.00 C ATOM 178 C ALA A 12 -6.090 14.634 -1.819 1.00 0.00 C ATOM 179 O ALA A 12 -5.764 15.360 -2.758 1.00 0.00 O ATOM 180 CB ALA A 12 -6.621 16.329 -0.059 1.00 0.00 C ATOM 0 H ALA A 12 -3.931 15.770 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.186 14.261 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.681 16.161 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.478 16.591 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.264 17.144 -0.689 1.00 0.00 H new ATOM 186 N ALA A 13 -6.671 13.450 -1.987 1.00 0.00 N ATOM 187 CA ALA A 13 -6.964 12.924 -3.315 1.00 0.00 C ATOM 188 C ALA A 13 -7.723 11.605 -3.227 1.00 0.00 C ATOM 189 O ALA A 13 -7.847 11.018 -2.152 1.00 0.00 O ATOM 190 CB ALA A 13 -5.677 12.743 -4.106 1.00 0.00 C ATOM 0 H ALA A 13 -6.948 12.837 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.598 13.644 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.910 12.350 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.174 13.705 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.024 12.045 -3.583 1.00 0.00 H new ATOM 196 N GLU A 14 -8.228 11.142 -4.366 1.00 0.00 N ATOM 197 CA GLU A 14 -8.976 9.891 -4.418 1.00 0.00 C ATOM 198 C GLU A 14 -9.374 9.554 -5.852 1.00 0.00 C ATOM 199 O GLU A 14 -10.415 9.996 -6.337 1.00 0.00 O ATOM 200 CB GLU A 14 -10.223 9.980 -3.538 1.00 0.00 C ATOM 201 CG GLU A 14 -11.018 8.686 -3.475 1.00 0.00 C ATOM 202 CD GLU A 14 -10.681 7.854 -2.253 1.00 0.00 C ATOM 203 OE1 GLU A 14 -9.486 7.552 -2.051 1.00 0.00 O ATOM 204 OE2 GLU A 14 -11.612 7.505 -1.497 1.00 0.00 O1- ATOM 0 H GLU A 14 -8.133 11.614 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.332 9.096 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.925 10.263 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.867 10.774 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.083 8.918 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.824 8.100 -4.374 1.00 0.00 H new ATOM 211 N GLU A 15 -8.538 8.769 -6.524 1.00 0.00 N ATOM 212 CA GLU A 15 -8.804 8.373 -7.902 1.00 0.00 C ATOM 213 C GLU A 15 -7.850 7.267 -8.343 1.00 0.00 C ATOM 214 O GLU A 15 -6.774 7.096 -7.771 1.00 0.00 O ATOM 215 CB GLU A 15 -8.673 9.578 -8.835 1.00 0.00 C ATOM 216 CG GLU A 15 -9.971 10.344 -9.024 1.00 0.00 C ATOM 217 CD GLU A 15 -10.060 11.014 -10.382 1.00 0.00 C ATOM 218 OE1 GLU A 15 -9.036 11.560 -10.842 1.00 0.00 O ATOM 219 OE2 GLU A 15 -11.154 10.992 -10.984 1.00 0.00 O1- ATOM 0 H GLU A 15 -7.672 8.395 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.824 7.991 -7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.916 10.254 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.317 9.237 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.812 9.661 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.060 11.100 -8.244 1.00 0.00 H new ATOM 226 N ALA A 16 -8.253 6.518 -9.365 1.00 0.00 N ATOM 227 CA ALA A 16 -7.435 5.429 -9.884 1.00 0.00 C ATOM 228 C ALA A 16 -7.308 5.513 -11.403 1.00 0.00 C ATOM 229 O ALA A 16 -8.148 6.115 -12.072 1.00 0.00 O ATOM 230 CB ALA A 16 -8.024 4.087 -9.475 1.00 0.00 C ATOM 0 H ALA A 16 -9.141 6.646 -9.850 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.436 5.521 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.404 3.282 -9.869 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.057 4.020 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.034 3.996 -9.875 1.00 0.00 H new ATOM 236 N PRO A 17 -6.249 4.908 -11.969 1.00 0.00 N ATOM 237 CA PRO A 17 -6.016 4.918 -13.417 1.00 0.00 C ATOM 238 C PRO A 17 -7.029 4.064 -14.172 1.00 0.00 C ATOM 239 O PRO A 17 -7.936 3.485 -13.574 1.00 0.00 O ATOM 240 CB PRO A 17 -4.611 4.327 -13.555 1.00 0.00 C ATOM 241 CG PRO A 17 -4.435 3.482 -12.342 1.00 0.00 C ATOM 242 CD PRO A 17 -5.199 4.168 -11.244 1.00 0.00 C ATOM 0 HA PRO A 17 -6.116 5.918 -13.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.518 3.736 -14.466 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.855 5.111 -13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.814 2.474 -12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.381 3.387 -12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.625 3.451 -10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.560 4.838 -10.668 1.00 0.00 H new ATOM 250 N ALA A 18 -6.869 3.991 -15.489 1.00 0.00 N ATOM 251 CA ALA A 18 -7.769 3.208 -16.326 1.00 0.00 C ATOM 252 C ALA A 18 -7.246 3.111 -17.755 1.00 0.00 C ATOM 253 O ALA A 18 -7.297 2.049 -18.375 1.00 0.00 O ATOM 254 CB ALA A 18 -9.163 3.817 -16.313 1.00 0.00 C ATOM 0 H ALA A 18 -6.124 4.465 -16.000 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.820 2.199 -15.917 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.826 3.223 -16.942 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.545 3.829 -15.292 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.118 4.837 -16.695 1.00 0.00 H new ATOM 260 N ALA A 19 -6.742 4.227 -18.272 1.00 0.00 N ATOM 261 CA ALA A 19 -6.209 4.268 -19.628 1.00 0.00 C ATOM 262 C ALA A 19 -4.829 3.622 -19.695 1.00 0.00 C ATOM 263 O ALA A 19 -3.811 4.312 -19.736 1.00 0.00 O ATOM 264 CB ALA A 19 -6.146 5.704 -20.127 1.00 0.00 C ATOM 0 H ALA A 19 -6.692 5.115 -17.772 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.879 3.700 -20.273 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.746 5.720 -21.141 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.148 6.134 -20.125 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.499 6.288 -19.473 1.00 0.00 H new ATOM 270 N GLU A 20 -4.803 2.293 -19.705 1.00 0.00 N ATOM 271 CA GLU A 20 -3.548 1.554 -19.767 1.00 0.00 C ATOM 272 C GLU A 20 -3.749 0.194 -20.428 1.00 0.00 C ATOM 273 O GLU A 20 -4.877 -0.283 -20.558 1.00 0.00 O ATOM 274 CB GLU A 20 -2.970 1.370 -18.362 1.00 0.00 C ATOM 275 CG GLU A 20 -1.559 0.805 -18.354 1.00 0.00 C ATOM 276 CD GLU A 20 -0.602 1.616 -19.204 1.00 0.00 C ATOM 277 OE1 GLU A 20 -0.568 2.854 -19.044 1.00 0.00 O ATOM 278 OE2 GLU A 20 0.115 1.013 -20.031 1.00 0.00 O1- ATOM 0 H GLU A 20 -5.637 1.706 -19.671 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.846 2.130 -20.369 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.970 2.332 -17.849 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.622 0.706 -17.794 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.190 0.773 -17.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.581 -0.222 -18.718 1.00 0.00 H new ATOM 285 N ALA A 21 -2.649 -0.425 -20.844 1.00 0.00 N ATOM 286 CA ALA A 21 -2.705 -1.729 -21.492 1.00 0.00 C ATOM 287 C ALA A 21 -3.329 -2.773 -20.572 1.00 0.00 C ATOM 288 O ALA A 21 -3.775 -2.455 -19.469 1.00 0.00 O ATOM 289 CB ALA A 21 -1.312 -2.165 -21.920 1.00 0.00 C ATOM 0 H ALA A 21 -1.708 -0.044 -20.744 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.335 -1.641 -22.377 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.368 -3.141 -22.403 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.902 -1.437 -22.620 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.666 -2.230 -21.044 1.00 0.00 H new ATOM 295 N GLU A 22 -3.356 -4.019 -21.031 1.00 0.00 N ATOM 296 CA GLU A 22 -3.925 -5.110 -20.249 1.00 0.00 C ATOM 297 C GLU A 22 -2.978 -6.305 -20.212 1.00 0.00 C ATOM 298 O GLU A 22 -3.104 -7.235 -21.008 1.00 0.00 O ATOM 299 CB GLU A 22 -5.275 -5.533 -20.831 1.00 0.00 C ATOM 300 CG GLU A 22 -6.435 -4.667 -20.367 1.00 0.00 C ATOM 301 CD GLU A 22 -7.508 -4.514 -21.428 1.00 0.00 C ATOM 302 OE1 GLU A 22 -8.425 -5.361 -21.472 1.00 0.00 O ATOM 303 OE2 GLU A 22 -7.431 -3.546 -22.214 1.00 0.00 O1- ATOM 0 H GLU A 22 -2.990 -4.299 -21.941 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.072 -4.754 -19.229 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.219 -5.499 -21.919 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.472 -6.569 -20.554 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.875 -5.105 -19.471 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.060 -3.682 -20.090 1.00 0.00 H new ATOM 310 N ALA A 23 -2.029 -6.273 -19.282 1.00 0.00 N ATOM 311 CA ALA A 23 -1.060 -7.353 -19.141 1.00 0.00 C ATOM 312 C ALA A 23 -0.479 -7.389 -17.732 1.00 0.00 C ATOM 313 O ALA A 23 -0.263 -6.348 -17.112 1.00 0.00 O ATOM 314 CB ALA A 23 0.051 -7.202 -20.168 1.00 0.00 C ATOM 0 H ALA A 23 -1.911 -5.511 -18.615 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.577 -8.297 -19.317 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.767 -8.015 -20.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.374 -7.234 -21.171 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.557 -6.248 -20.019 1.00 0.00 H new ATOM 320 N GLU A 24 -0.228 -8.594 -17.231 1.00 0.00 N ATOM 321 CA GLU A 24 0.328 -8.766 -15.894 1.00 0.00 C ATOM 322 C GLU A 24 1.131 -10.060 -15.801 1.00 0.00 C ATOM 323 O GLU A 24 0.695 -11.108 -16.278 1.00 0.00 O ATOM 324 CB GLU A 24 -0.790 -8.769 -14.850 1.00 0.00 C ATOM 325 CG GLU A 24 -0.387 -8.139 -13.527 1.00 0.00 C ATOM 326 CD GLU A 24 -1.513 -7.345 -12.893 1.00 0.00 C ATOM 327 OE1 GLU A 24 -2.690 -7.655 -13.175 1.00 0.00 O ATOM 328 OE2 GLU A 24 -1.219 -6.415 -12.113 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.401 -9.466 -17.731 1.00 0.00 H new ATOM 0 HA GLU A 24 0.998 -7.929 -15.696 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.651 -8.234 -15.250 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.107 -9.797 -14.672 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.067 -8.921 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.470 -7.484 -13.686 1.00 0.00 H new ATOM 335 N GLU A 25 2.304 -9.979 -15.182 1.00 0.00 N ATOM 336 CA GLU A 25 3.167 -11.144 -15.026 1.00 0.00 C ATOM 337 C GLU A 25 3.660 -11.267 -13.588 1.00 0.00 C ATOM 338 O GLU A 25 4.788 -10.887 -13.273 1.00 0.00 O ATOM 339 CB GLU A 25 4.360 -11.053 -15.980 1.00 0.00 C ATOM 340 CG GLU A 25 4.837 -12.403 -16.488 1.00 0.00 C ATOM 341 CD GLU A 25 5.212 -12.374 -17.957 1.00 0.00 C ATOM 342 OE1 GLU A 25 6.093 -11.569 -18.329 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 4.626 -13.155 -18.735 1.00 0.00 O ATOM 0 H GLU A 25 2.679 -9.119 -14.780 1.00 0.00 H new ATOM 0 HA GLU A 25 2.583 -12.032 -15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.087 -10.430 -16.831 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.184 -10.554 -15.471 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.699 -12.723 -15.903 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.053 -13.144 -16.332 1.00 0.00 H new ATOM 350 N GLU A 26 2.807 -11.800 -12.719 1.00 0.00 N ATOM 351 CA GLU A 26 3.156 -11.973 -11.314 1.00 0.00 C ATOM 352 C GLU A 26 2.552 -13.259 -10.758 1.00 0.00 C ATOM 353 O GLU A 26 3.268 -14.217 -10.468 1.00 0.00 O ATOM 354 CB GLU A 26 2.674 -10.774 -10.495 1.00 0.00 C ATOM 355 CG GLU A 26 3.273 -9.451 -10.944 1.00 0.00 C ATOM 356 CD GLU A 26 2.329 -8.651 -11.821 1.00 0.00 C ATOM 357 OE1 GLU A 26 1.325 -8.130 -11.292 1.00 0.00 O1- ATOM 358 OE2 GLU A 26 2.594 -8.546 -13.037 1.00 0.00 O ATOM 0 H GLU A 26 1.870 -12.119 -12.963 1.00 0.00 H new ATOM 0 HA GLU A 26 4.241 -12.041 -11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.588 -10.713 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.921 -10.938 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.537 -8.860 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.197 -9.641 -11.490 1.00 0.00 H new ATOM 365 N GLU A 27 1.231 -13.271 -10.612 1.00 0.00 N ATOM 366 CA GLU A 27 0.531 -14.439 -10.091 1.00 0.00 C ATOM 367 C GLU A 27 -0.939 -14.418 -10.496 1.00 0.00 C ATOM 368 O GLU A 27 -1.389 -13.507 -11.191 1.00 0.00 O ATOM 369 CB GLU A 27 0.651 -14.494 -8.567 1.00 0.00 C ATOM 370 CG GLU A 27 -0.013 -13.322 -7.862 1.00 0.00 C ATOM 371 CD GLU A 27 -0.156 -13.545 -6.369 1.00 0.00 C ATOM 372 OE1 GLU A 27 -1.055 -14.312 -5.967 1.00 0.00 O1- ATOM 373 OE2 GLU A 27 0.632 -12.952 -5.602 1.00 0.00 O ATOM 0 H GLU A 27 0.624 -12.485 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 27 0.994 -15.329 -10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.206 -15.422 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.706 -14.521 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.572 -12.419 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.998 -13.152 -8.296 1.00 0.00 H new ATOM 380 N GLY A 28 -1.683 -15.428 -10.058 1.00 0.00 N ATOM 381 CA GLY A 28 -3.095 -15.506 -10.385 1.00 0.00 C ATOM 382 C GLY A 28 -3.983 -15.150 -9.210 1.00 0.00 C ATOM 383 O GLY A 28 -4.163 -15.952 -8.293 1.00 0.00 O ATOM 0 H GLY A 28 -1.334 -16.194 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.310 -14.834 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.331 -16.515 -10.722 1.00 0.00 H new ATOM 387 N LEU A 29 -4.541 -13.944 -9.236 1.00 0.00 N ATOM 388 CA LEU A 29 -5.416 -13.483 -8.164 1.00 0.00 C ATOM 389 C LEU A 29 -6.616 -12.729 -8.728 1.00 0.00 C ATOM 390 O LEU A 29 -7.753 -13.189 -8.629 1.00 0.00 O ATOM 391 CB LEU A 29 -4.643 -12.586 -7.196 1.00 0.00 C ATOM 392 CG LEU A 29 -5.053 -12.711 -5.728 1.00 0.00 C ATOM 393 CD1 LEU A 29 -6.549 -12.485 -5.571 1.00 0.00 C ATOM 394 CD2 LEU A 29 -4.658 -14.074 -5.180 1.00 0.00 C ATOM 0 H LEU A 29 -4.403 -13.268 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.780 -14.357 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.581 -12.816 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.770 -11.549 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.529 -11.945 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.823 -12.578 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.805 -11.487 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.092 -13.228 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.957 -14.146 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.156 -14.855 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.578 -14.198 -5.258 1.00 0.00 H new ATOM 406 N HIS A 30 -6.354 -11.568 -9.319 1.00 0.00 N ATOM 407 CA HIS A 30 -7.413 -10.750 -9.899 1.00 0.00 C ATOM 408 C HIS A 30 -8.431 -10.346 -8.839 1.00 0.00 C ATOM 409 O HIS A 30 -8.276 -10.667 -7.660 1.00 0.00 O ATOM 410 CB HIS A 30 -8.110 -11.507 -11.030 1.00 0.00 C ATOM 411 CG HIS A 30 -7.439 -11.349 -12.359 1.00 0.00 C ATOM 412 ND1 HIS A 30 -6.809 -12.387 -13.013 1.00 0.00 N ATOM 413 CD2 HIS A 30 -7.301 -10.265 -13.159 1.00 0.00 C ATOM 414 CE1 HIS A 30 -6.312 -11.949 -14.156 1.00 0.00 C ATOM 415 NE2 HIS A 30 -6.598 -10.665 -14.269 1.00 0.00 N ATOM 0 H HIS A 30 -5.418 -11.173 -9.409 1.00 0.00 H new ATOM 0 HA HIS A 30 -6.958 -9.846 -10.303 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.150 -12.566 -10.776 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.140 -11.159 -11.109 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.674 -9.271 -12.961 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.765 -12.540 -14.875 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.339 -10.067 -15.054 1.00 0.00 H new ATOM 424 N LEU A 31 -9.474 -9.640 -9.265 1.00 0.00 N ATOM 425 CA LEU A 31 -10.518 -9.192 -8.352 1.00 0.00 C ATOM 426 C LEU A 31 -11.782 -8.809 -9.116 1.00 0.00 C ATOM 427 O LEU A 31 -12.821 -9.455 -8.980 1.00 0.00 O ATOM 428 CB LEU A 31 -10.027 -8.002 -7.525 1.00 0.00 C ATOM 429 CG LEU A 31 -10.832 -7.718 -6.256 1.00 0.00 C ATOM 430 CD1 LEU A 31 -12.227 -7.225 -6.607 1.00 0.00 C ATOM 431 CD2 LEU A 31 -10.908 -8.964 -5.386 1.00 0.00 C ATOM 0 H LEU A 31 -9.618 -9.366 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.757 -10.017 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.988 -8.177 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.042 -7.112 -8.153 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.324 -6.935 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.785 -7.028 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.152 -6.307 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.745 -7.985 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.484 -8.745 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.393 -9.767 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.901 -9.274 -5.105 1.00 0.00 H new ATOM 443 N GLU A 32 -11.684 -7.754 -9.919 1.00 0.00 N ATOM 444 CA GLU A 32 -12.820 -7.285 -10.705 1.00 0.00 C ATOM 445 C GLU A 32 -13.983 -6.891 -9.801 1.00 0.00 C ATOM 446 O GLU A 32 -14.623 -7.746 -9.188 1.00 0.00 O ATOM 447 CB GLU A 32 -13.267 -8.368 -11.689 1.00 0.00 C ATOM 448 CG GLU A 32 -12.557 -8.301 -13.031 1.00 0.00 C ATOM 449 CD GLU A 32 -13.192 -9.204 -14.071 1.00 0.00 C ATOM 450 OE1 GLU A 32 -14.393 -9.517 -13.932 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -12.487 -9.597 -15.025 1.00 0.00 O ATOM 0 H GLU A 32 -10.831 -7.208 -10.042 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.504 -6.404 -11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.092 -9.347 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.341 -8.279 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.567 -7.273 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.512 -8.582 -12.900 1.00 0.00 H new ATOM 458 N ASP A 33 -14.251 -5.592 -9.722 1.00 0.00 N ATOM 459 CA ASP A 33 -15.337 -5.085 -8.892 1.00 0.00 C ATOM 460 C ASP A 33 -15.562 -3.597 -9.139 1.00 0.00 C ATOM 461 O ASP A 33 -16.632 -3.186 -9.588 1.00 0.00 O ATOM 462 CB ASP A 33 -15.034 -5.329 -7.413 1.00 0.00 C ATOM 463 CG ASP A 33 -16.291 -5.524 -6.589 1.00 0.00 C ATOM 464 OD1 ASP A 33 -17.226 -6.190 -7.081 1.00 0.00 O1- ATOM 465 OD2 ASP A 33 -16.341 -5.011 -5.451 1.00 0.00 O ATOM 0 H ASP A 33 -13.731 -4.871 -10.223 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.247 -5.621 -9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.399 -6.210 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.471 -4.484 -7.016 1.00 0.00 H new ATOM 470 N ASP A 34 -14.546 -2.793 -8.841 1.00 0.00 N ATOM 471 CA ASP A 34 -14.632 -1.350 -9.031 1.00 0.00 C ATOM 472 C ASP A 34 -13.307 -0.676 -8.690 1.00 0.00 C ATOM 473 O ASP A 34 -12.875 0.249 -9.379 1.00 0.00 O ATOM 474 CB ASP A 34 -15.751 -0.767 -8.166 1.00 0.00 C ATOM 475 CG ASP A 34 -15.523 -1.008 -6.686 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.770 -0.228 -6.066 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -16.098 -1.977 -6.148 1.00 0.00 O ATOM 0 H ASP A 34 -13.654 -3.117 -8.467 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.856 -1.160 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.827 0.305 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.703 -1.209 -8.461 1.00 0.00 H new ATOM 482 N GLN A 35 -12.667 -1.145 -7.625 1.00 0.00 N ATOM 483 CA GLN A 35 -11.390 -0.588 -7.193 1.00 0.00 C ATOM 484 C GLN A 35 -10.755 -1.457 -6.112 1.00 0.00 C ATOM 485 O GLN A 35 -11.443 -2.214 -5.427 1.00 0.00 O ATOM 486 CB GLN A 35 -11.583 0.839 -6.673 1.00 0.00 C ATOM 487 CG GLN A 35 -10.539 1.818 -7.185 1.00 0.00 C ATOM 488 CD GLN A 35 -9.245 1.754 -6.397 1.00 0.00 C ATOM 489 OE1 GLN A 35 -9.226 2.000 -5.191 1.00 0.00 O ATOM 490 NE2 GLN A 35 -8.154 1.424 -7.078 1.00 0.00 N ATOM 0 H GLN A 35 -13.011 -1.910 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.721 -0.566 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.573 1.192 -6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.555 0.827 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.332 1.607 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.940 2.830 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.216 1.228 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.254 1.366 -6.602 1.00 0.00 H new ATOM 499 N GLU A 36 -9.439 -1.342 -5.964 1.00 0.00 N ATOM 500 CA GLU A 36 -8.710 -2.117 -4.967 1.00 0.00 C ATOM 501 C GLU A 36 -9.248 -1.844 -3.562 1.00 0.00 C ATOM 502 O GLU A 36 -9.050 -0.759 -3.016 1.00 0.00 O ATOM 503 CB GLU A 36 -7.218 -1.783 -5.025 1.00 0.00 C ATOM 504 CG GLU A 36 -6.537 -2.260 -6.297 1.00 0.00 C ATOM 505 CD GLU A 36 -6.682 -1.276 -7.441 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.678 -1.376 -8.187 1.00 0.00 O ATOM 507 OE2 GLU A 36 -5.799 -0.405 -7.590 1.00 0.00 O1- ATOM 0 H GLU A 36 -8.856 -0.719 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.850 -3.174 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.092 -0.704 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.720 -2.232 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.478 -2.426 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.960 -3.220 -6.593 1.00 0.00 H new ATOM 514 N PRO A 37 -9.938 -2.827 -2.954 1.00 0.00 N ATOM 515 CA PRO A 37 -10.500 -2.677 -1.607 1.00 0.00 C ATOM 516 C PRO A 37 -9.420 -2.616 -0.533 1.00 0.00 C ATOM 517 O PRO A 37 -8.236 -2.464 -0.836 1.00 0.00 O ATOM 518 CB PRO A 37 -11.356 -3.934 -1.434 1.00 0.00 C ATOM 519 CG PRO A 37 -10.747 -4.936 -2.351 1.00 0.00 C ATOM 520 CD PRO A 37 -10.225 -4.157 -3.526 1.00 0.00 C ATOM 0 HA PRO A 37 -11.060 -1.748 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.343 -4.283 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.397 -3.742 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.943 -5.481 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.484 -5.674 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.330 -4.615 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.960 -4.099 -4.329 1.00 0.00 H new ATOM 528 N ARG A 38 -9.834 -2.737 0.725 1.00 0.00 N ATOM 529 CA ARG A 38 -8.901 -2.698 1.844 1.00 0.00 C ATOM 530 C ARG A 38 -9.550 -3.242 3.114 1.00 0.00 C ATOM 531 O ARG A 38 -10.620 -3.849 3.064 1.00 0.00 O ATOM 532 CB ARG A 38 -8.405 -1.265 2.074 1.00 0.00 C ATOM 533 CG ARG A 38 -9.434 -0.350 2.721 1.00 0.00 C ATOM 534 CD ARG A 38 -10.660 -0.173 1.840 1.00 0.00 C ATOM 535 NE ARG A 38 -10.310 0.289 0.498 1.00 0.00 N ATOM 536 CZ ARG A 38 -11.196 0.460 -0.481 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.482 0.209 -0.273 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -10.793 0.885 -1.671 1.00 0.00 N ATOM 0 H ARG A 38 -10.810 -2.863 0.994 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.049 -3.331 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.515 -1.296 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.104 -0.838 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.734 -0.763 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.984 0.623 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.195 -1.120 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.339 0.542 2.304 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.330 0.492 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.797 -0.117 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.156 0.342 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.805 1.080 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.471 1.016 -2.422 1.00 0.00 H new ATOM 552 N GLU A 39 -8.897 -3.021 4.250 1.00 0.00 N ATOM 553 CA GLU A 39 -9.412 -3.490 5.531 1.00 0.00 C ATOM 554 C GLU A 39 -9.012 -2.544 6.659 1.00 0.00 C ATOM 555 O GLU A 39 -8.365 -1.524 6.426 1.00 0.00 O ATOM 556 CB GLU A 39 -8.898 -4.901 5.826 1.00 0.00 C ATOM 557 CG GLU A 39 -7.399 -5.055 5.629 1.00 0.00 C ATOM 558 CD GLU A 39 -6.638 -5.075 6.941 1.00 0.00 C ATOM 559 OE1 GLU A 39 -7.208 -5.538 7.951 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -5.472 -4.627 6.958 1.00 0.00 O ATOM 0 H GLU A 39 -8.010 -2.520 4.310 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.500 -3.513 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.150 -5.163 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.416 -5.610 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.201 -5.978 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.031 -4.235 5.012 1.00 0.00 H new ATOM 567 N HIS A 40 -9.403 -2.891 7.881 1.00 0.00 N ATOM 568 CA HIS A 40 -9.085 -2.074 9.046 1.00 0.00 C ATOM 569 C HIS A 40 -8.533 -2.933 10.181 1.00 0.00 C ATOM 570 O HIS A 40 -9.289 -3.446 11.006 1.00 0.00 O ATOM 571 CB HIS A 40 -10.330 -1.322 9.521 1.00 0.00 C ATOM 572 CG HIS A 40 -11.085 -0.653 8.414 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.292 -1.119 7.937 1.00 0.00 N ATOM 574 CD2 HIS A 40 -10.797 0.453 7.688 1.00 0.00 C ATOM 575 CE1 HIS A 40 -12.714 -0.328 6.966 1.00 0.00 C ATOM 576 NE2 HIS A 40 -11.826 0.633 6.796 1.00 0.00 N ATOM 0 H HIS A 40 -9.940 -3.732 8.090 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.320 -1.354 8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.993 -2.020 10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.033 -0.571 10.253 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.782 -1.945 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.922 1.077 7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.630 -0.448 6.407 1.00 0.00 H new ATOM 585 N PRO A 41 -7.200 -3.104 10.238 1.00 0.00 N ATOM 586 CA PRO A 41 -6.552 -3.907 11.280 1.00 0.00 C ATOM 587 C PRO A 41 -6.651 -3.259 12.656 1.00 0.00 C ATOM 588 O PRO A 41 -7.006 -2.087 12.777 1.00 0.00 O ATOM 589 CB PRO A 41 -5.092 -3.974 10.825 1.00 0.00 C ATOM 590 CG PRO A 41 -4.903 -2.767 9.974 1.00 0.00 C ATOM 591 CD PRO A 41 -6.222 -2.529 9.294 1.00 0.00 C ATOM 0 HA PRO A 41 -7.022 -4.884 11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.412 -3.968 11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.894 -4.888 10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.614 -1.906 10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.110 -2.925 9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.402 -1.467 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.267 -3.018 8.321 1.00 0.00 H new ATOM 599 N ILE A 42 -6.337 -4.031 13.692 1.00 0.00 N ATOM 600 CA ILE A 42 -6.392 -3.533 15.061 1.00 0.00 C ATOM 601 C ILE A 42 -5.334 -2.458 15.297 1.00 0.00 C ATOM 602 O ILE A 42 -4.346 -2.375 14.568 1.00 0.00 O ATOM 603 CB ILE A 42 -6.196 -4.673 16.081 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.384 -4.152 17.508 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.822 -5.308 15.917 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.692 -5.240 18.513 1.00 0.00 C ATOM 0 H ILE A 42 -6.042 -5.004 13.609 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.382 -3.099 15.203 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.949 -5.438 15.893 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.479 -3.629 17.817 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.193 -3.422 17.516 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.703 -6.110 16.645 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.727 -5.715 14.910 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.051 -4.554 16.078 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.813 -4.798 19.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.613 -5.748 18.228 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.873 -5.958 18.534 1.00 0.00 H new ATOM 618 N MET A 43 -5.549 -1.638 16.321 1.00 0.00 N ATOM 619 CA MET A 43 -4.616 -0.568 16.656 1.00 0.00 C ATOM 620 C MET A 43 -3.211 -1.119 16.885 1.00 0.00 C ATOM 621 O MET A 43 -2.967 -2.313 16.715 1.00 0.00 O ATOM 622 CB MET A 43 -5.092 0.178 17.904 1.00 0.00 C ATOM 623 CG MET A 43 -5.260 -0.719 19.120 1.00 0.00 C ATOM 624 SD MET A 43 -6.692 -0.272 20.120 1.00 0.00 S ATOM 625 CE MET A 43 -7.634 -1.794 20.063 1.00 0.00 C ATOM 0 H MET A 43 -6.362 -1.694 16.934 1.00 0.00 H new ATOM 0 HA MET A 43 -4.581 0.125 15.815 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.378 0.967 18.140 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.043 0.664 17.687 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.359 -1.754 18.792 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.361 -0.664 19.734 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.446 -1.746 20.788 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.047 -1.929 19.063 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.982 -2.634 20.303 1.00 0.00 H new ATOM 635 N GLY A 44 -2.292 -0.240 17.272 1.00 0.00 N ATOM 636 CA GLY A 44 -0.924 -0.658 17.518 1.00 0.00 C ATOM 637 C GLY A 44 0.090 0.324 16.966 1.00 0.00 C ATOM 638 O GLY A 44 0.141 0.560 15.759 1.00 0.00 O ATOM 0 H GLY A 44 -2.470 0.753 17.420 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.769 -0.771 18.591 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.760 -1.637 17.068 1.00 0.00 H new ATOM 642 N GLY A 45 0.899 0.898 17.851 1.00 0.00 N ATOM 643 CA GLY A 45 1.905 1.852 17.426 1.00 0.00 C ATOM 644 C GLY A 45 2.908 1.248 16.462 1.00 0.00 C ATOM 645 O GLY A 45 2.614 0.261 15.788 1.00 0.00 O ATOM 0 H GLY A 45 0.875 0.719 18.855 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.417 2.703 16.951 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.431 2.234 18.301 1.00 0.00 H new ATOM 649 N ILE A 46 4.096 1.841 16.397 1.00 0.00 N ATOM 650 CA ILE A 46 5.144 1.354 15.509 1.00 0.00 C ATOM 651 C ILE A 46 5.805 0.102 16.076 1.00 0.00 C ATOM 652 O ILE A 46 6.913 0.158 16.610 1.00 0.00 O ATOM 653 CB ILE A 46 6.223 2.428 15.269 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.574 3.767 14.917 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.173 1.987 14.165 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.806 3.743 13.613 1.00 0.00 C ATOM 0 H ILE A 46 4.356 2.659 16.948 1.00 0.00 H new ATOM 0 HA ILE A 46 4.667 1.112 14.559 1.00 0.00 H new ATOM 0 HB ILE A 46 6.797 2.555 16.187 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.898 4.057 15.722 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.348 4.533 14.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.929 2.756 14.007 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.658 1.055 14.453 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.613 1.834 13.242 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.373 4.726 13.428 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.482 3.484 12.798 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.010 3.001 13.673 1.00 0.00 H new ATOM 668 N TYR A 47 5.117 -1.029 15.956 1.00 0.00 N ATOM 669 CA TYR A 47 5.636 -2.297 16.456 1.00 0.00 C ATOM 670 C TYR A 47 4.760 -3.459 16.002 1.00 0.00 C ATOM 671 O TYR A 47 5.253 -4.443 15.451 1.00 0.00 O ATOM 672 CB TYR A 47 5.719 -2.271 17.983 1.00 0.00 C ATOM 673 CG TYR A 47 6.753 -3.217 18.550 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.054 -3.227 18.064 1.00 0.00 C ATOM 675 CD2 TYR A 47 6.427 -4.101 19.572 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.002 -4.090 18.580 1.00 0.00 C ATOM 677 CE2 TYR A 47 7.370 -4.967 20.093 1.00 0.00 C ATOM 678 CZ TYR A 47 8.655 -4.958 19.593 1.00 0.00 C ATOM 679 OH TYR A 47 9.596 -5.819 20.109 1.00 0.00 O ATOM 0 H TYR A 47 4.199 -1.093 15.517 1.00 0.00 H new ATOM 0 HA TYR A 47 6.637 -2.439 16.048 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.950 -1.257 18.309 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.742 -2.524 18.396 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.329 -2.549 17.270 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.421 -4.111 19.965 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.010 -4.084 18.192 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.102 -5.647 20.888 1.00 0.00 H new ATOM 0 HH TYR A 47 9.190 -6.362 20.816 1.00 0.00 H new ATOM 689 N ASP A 48 3.457 -3.338 16.236 1.00 0.00 N ATOM 690 CA ASP A 48 2.511 -4.379 15.851 1.00 0.00 C ATOM 691 C ASP A 48 2.539 -4.606 14.343 1.00 0.00 C ATOM 692 O ASP A 48 2.105 -3.753 13.569 1.00 0.00 O ATOM 693 CB ASP A 48 1.096 -4.001 16.295 1.00 0.00 C ATOM 694 CG ASP A 48 0.737 -4.593 17.644 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.514 -4.400 18.603 1.00 0.00 O ATOM 696 OD2 ASP A 48 -0.321 -5.249 17.741 1.00 0.00 O1- ATOM 0 H ASP A 48 3.032 -2.529 16.690 1.00 0.00 H new ATOM 0 HA ASP A 48 2.805 -5.305 16.346 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.011 -2.915 16.343 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.380 -4.344 15.548 1.00 0.00 H new ATOM 701 N ALA A 49 3.052 -5.761 13.932 1.00 0.00 N ATOM 702 CA ALA A 49 3.134 -6.098 12.517 1.00 0.00 C ATOM 703 C ALA A 49 2.712 -7.546 12.266 1.00 0.00 C ATOM 704 O ALA A 49 3.423 -8.302 11.605 1.00 0.00 O ATOM 705 CB ALA A 49 4.546 -5.861 12.002 1.00 0.00 C ATOM 0 H ALA A 49 3.417 -6.478 14.559 1.00 0.00 H new ATOM 0 HA ALA A 49 2.445 -5.450 11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.595 -6.116 10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.810 -4.812 12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.246 -6.485 12.558 1.00 0.00 H new ATOM 711 N PRO A 50 1.542 -7.952 12.791 1.00 0.00 N ATOM 712 CA PRO A 50 1.032 -9.314 12.616 1.00 0.00 C ATOM 713 C PRO A 50 0.425 -9.530 11.235 1.00 0.00 C ATOM 714 O PRO A 50 0.462 -10.635 10.694 1.00 0.00 O ATOM 715 CB PRO A 50 -0.044 -9.419 13.695 1.00 0.00 C ATOM 716 CG PRO A 50 -0.552 -8.027 13.848 1.00 0.00 C ATOM 717 CD PRO A 50 0.623 -7.120 13.594 1.00 0.00 C ATOM 0 HA PRO A 50 1.819 -10.064 12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.840 -10.102 13.398 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.367 -9.797 14.631 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.358 -7.827 13.142 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.957 -7.868 14.847 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.325 -6.220 13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.087 -6.796 14.525 1.00 0.00 H new ATOM 725 N LEU A 51 -0.135 -8.465 10.673 1.00 0.00 N ATOM 726 CA LEU A 51 -0.755 -8.529 9.354 1.00 0.00 C ATOM 727 C LEU A 51 -1.847 -9.594 9.316 1.00 0.00 C ATOM 728 O LEU A 51 -1.570 -10.775 9.108 1.00 0.00 O ATOM 729 CB LEU A 51 0.300 -8.821 8.283 1.00 0.00 C ATOM 730 CG LEU A 51 -0.252 -9.057 6.875 1.00 0.00 C ATOM 731 CD1 LEU A 51 -0.992 -7.827 6.375 1.00 0.00 C ATOM 732 CD2 LEU A 51 0.871 -9.430 5.919 1.00 0.00 C ATOM 0 H LEU A 51 -0.173 -7.545 11.111 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.211 -7.561 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.999 -7.986 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.869 -9.700 8.586 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.958 -9.886 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.376 -8.016 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.822 -7.604 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.309 -6.978 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.461 -9.594 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.601 -8.621 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.357 -10.342 6.266 1.00 0.00 H new ATOM 744 N ASN A 52 -3.089 -9.166 9.516 1.00 0.00 N ATOM 745 CA ASN A 52 -4.225 -10.081 9.503 1.00 0.00 C ATOM 746 C ASN A 52 -4.730 -10.309 8.080 1.00 0.00 C ATOM 747 O ASN A 52 -5.397 -11.306 7.802 1.00 0.00 O ATOM 748 CB ASN A 52 -5.356 -9.534 10.376 1.00 0.00 C ATOM 749 CG ASN A 52 -6.118 -10.633 11.089 1.00 0.00 C ATOM 750 OD1 ASN A 52 -5.529 -11.474 11.768 1.00 0.00 O ATOM 751 ND2 ASN A 52 -7.438 -10.632 10.939 1.00 0.00 N ATOM 0 H ASN A 52 -3.335 -8.191 9.689 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.892 -11.037 9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.942 -8.845 11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.045 -8.961 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.004 -11.347 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.886 -9.916 10.367 1.00 0.00 H new ATOM 758 N ASN A 53 -4.412 -9.380 7.183 1.00 0.00 N ATOM 759 CA ASN A 53 -4.838 -9.484 5.792 1.00 0.00 C ATOM 760 C ASN A 53 -3.754 -10.132 4.933 1.00 0.00 C ATOM 761 O ASN A 53 -3.479 -9.684 3.820 1.00 0.00 O ATOM 762 CB ASN A 53 -5.186 -8.100 5.238 1.00 0.00 C ATOM 763 CG ASN A 53 -4.108 -7.073 5.524 1.00 0.00 C ATOM 764 OD1 ASN A 53 -3.970 -6.599 6.652 1.00 0.00 O ATOM 765 ND2 ASN A 53 -3.339 -6.722 4.500 1.00 0.00 N ATOM 0 H ASN A 53 -3.861 -8.548 7.395 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.726 -10.116 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.339 -8.171 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.128 -7.764 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.598 -6.033 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.489 -7.141 3.582 1.00 0.00 H new ATOM 772 N GLU A 54 -3.145 -11.191 5.456 1.00 0.00 N ATOM 773 CA GLU A 54 -2.093 -11.903 4.735 1.00 0.00 C ATOM 774 C GLU A 54 -2.663 -13.082 3.949 1.00 0.00 C ATOM 775 O GLU A 54 -1.924 -13.977 3.538 1.00 0.00 O ATOM 776 CB GLU A 54 -1.022 -12.398 5.708 1.00 0.00 C ATOM 777 CG GLU A 54 -1.588 -13.080 6.944 1.00 0.00 C ATOM 778 CD GLU A 54 -0.523 -13.788 7.758 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.112 -14.898 7.361 1.00 0.00 O ATOM 780 OE2 GLU A 54 -0.100 -13.231 8.793 1.00 0.00 O1- ATOM 0 H GLU A 54 -3.361 -11.576 6.376 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.642 -11.205 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.365 -13.095 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.408 -11.553 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.084 -12.338 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.348 -13.801 6.641 1.00 0.00 H new ATOM 787 N ASN A 55 -3.977 -13.081 3.741 1.00 0.00 N ATOM 788 CA ASN A 55 -4.633 -14.154 3.003 1.00 0.00 C ATOM 789 C ASN A 55 -4.175 -14.173 1.549 1.00 0.00 C ATOM 790 O ASN A 55 -3.765 -15.212 1.030 1.00 0.00 O ATOM 791 CB ASN A 55 -6.153 -13.992 3.069 1.00 0.00 C ATOM 792 CG ASN A 55 -6.664 -13.906 4.494 1.00 0.00 C ATOM 793 OD1 ASN A 55 -6.696 -14.903 5.216 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.067 -12.710 4.906 1.00 0.00 N ATOM 0 H ASN A 55 -4.607 -12.350 4.073 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.355 -15.101 3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.444 -13.092 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.628 -14.834 2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.421 -12.590 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.023 -11.911 4.273 1.00 0.00 H new ATOM 801 N GLY A 56 -4.247 -13.018 0.897 1.00 0.00 N ATOM 802 CA GLY A 56 -3.837 -12.922 -0.492 1.00 0.00 C ATOM 803 C GLY A 56 -4.605 -11.859 -1.251 1.00 0.00 C ATOM 804 O GLY A 56 -4.011 -10.969 -1.860 1.00 0.00 O ATOM 0 H GLY A 56 -4.582 -12.146 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.771 -12.698 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.982 -13.887 -0.978 1.00 0.00 H new ATOM 808 N PHE A 57 -5.930 -11.949 -1.214 1.00 0.00 N ATOM 809 CA PHE A 57 -6.780 -10.986 -1.903 1.00 0.00 C ATOM 810 C PHE A 57 -6.672 -9.610 -1.253 1.00 0.00 C ATOM 811 O PHE A 57 -6.586 -8.592 -1.940 1.00 0.00 O ATOM 812 CB PHE A 57 -8.235 -11.456 -1.891 1.00 0.00 C ATOM 813 CG PHE A 57 -8.501 -12.610 -2.815 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.063 -13.886 -2.495 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.188 -12.420 -4.003 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.306 -14.949 -3.344 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.433 -13.480 -4.856 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.991 -14.746 -4.525 1.00 0.00 C ATOM 0 H PHE A 57 -6.438 -12.679 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.441 -10.911 -2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.507 -11.744 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.880 -10.622 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.526 -14.051 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.536 -11.432 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.960 -15.938 -3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.969 -13.318 -5.780 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.181 -15.576 -5.189 1.00 0.00 H new ATOM 828 N ASP A 58 -6.677 -9.589 0.075 1.00 0.00 N ATOM 829 CA ASP A 58 -6.578 -8.340 0.820 1.00 0.00 C ATOM 830 C ASP A 58 -5.185 -7.733 0.682 1.00 0.00 C ATOM 831 O ASP A 58 -5.041 -6.545 0.396 1.00 0.00 O ATOM 832 CB ASP A 58 -6.901 -8.575 2.297 1.00 0.00 C ATOM 833 CG ASP A 58 -8.336 -9.015 2.512 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.735 -10.045 1.928 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -9.060 -8.330 3.264 1.00 0.00 O ATOM 0 H ASP A 58 -6.749 -10.423 0.658 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.303 -7.640 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.228 -9.333 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.717 -7.658 2.857 1.00 0.00 H new ATOM 840 N LYS A 59 -4.162 -8.558 0.883 1.00 0.00 N ATOM 841 CA LYS A 59 -2.781 -8.100 0.777 1.00 0.00 C ATOM 842 C LYS A 59 -2.497 -7.560 -0.621 1.00 0.00 C ATOM 843 O LYS A 59 -1.838 -6.533 -0.780 1.00 0.00 O ATOM 844 CB LYS A 59 -1.814 -9.241 1.112 1.00 0.00 C ATOM 845 CG LYS A 59 -1.693 -10.289 0.016 1.00 0.00 C ATOM 846 CD LYS A 59 -0.661 -11.350 0.368 1.00 0.00 C ATOM 847 CE LYS A 59 0.323 -11.571 -0.770 1.00 0.00 C ATOM 848 NZ LYS A 59 0.701 -13.005 -0.907 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.263 -9.545 1.120 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.632 -7.292 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.828 -8.822 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.145 -9.726 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.662 -10.762 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.415 -9.806 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.120 -11.049 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.166 -12.287 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.117 -11.221 -1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.219 -10.974 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.373 -13.113 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.144 -13.333 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.150 -13.572 -1.098 1.00 0.00 H new ATOM 862 N GLU A 60 -3.002 -8.261 -1.632 1.00 0.00 N ATOM 863 CA GLU A 60 -2.806 -7.855 -3.018 1.00 0.00 C ATOM 864 C GLU A 60 -3.555 -6.560 -3.315 1.00 0.00 C ATOM 865 O GLU A 60 -3.019 -5.654 -3.953 1.00 0.00 O ATOM 866 CB GLU A 60 -3.276 -8.959 -3.967 1.00 0.00 C ATOM 867 CG GLU A 60 -2.251 -10.063 -4.170 1.00 0.00 C ATOM 868 CD GLU A 60 -2.169 -10.524 -5.612 1.00 0.00 C ATOM 869 OE1 GLU A 60 -3.189 -10.424 -6.326 1.00 0.00 O ATOM 870 OE2 GLU A 60 -1.085 -10.984 -6.028 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.550 -9.113 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.741 -7.682 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.195 -9.395 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.518 -8.517 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.272 -9.708 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.506 -10.912 -3.535 1.00 0.00 H new ATOM 877 N ASP A 61 -4.796 -6.480 -2.847 1.00 0.00 N ATOM 878 CA ASP A 61 -5.619 -5.294 -3.062 1.00 0.00 C ATOM 879 C ASP A 61 -4.944 -4.054 -2.485 1.00 0.00 C ATOM 880 O ASP A 61 -4.895 -3.006 -3.129 1.00 0.00 O ATOM 881 CB ASP A 61 -6.997 -5.482 -2.426 1.00 0.00 C ATOM 882 CG ASP A 61 -7.847 -6.490 -3.175 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.753 -6.537 -4.420 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.608 -7.231 -2.518 1.00 0.00 O ATOM 0 H ASP A 61 -5.254 -7.221 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.739 -5.154 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.876 -5.809 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.515 -4.523 -2.398 1.00 0.00 H new ATOM 889 N LEU A 62 -4.425 -4.181 -1.269 1.00 0.00 N ATOM 890 CA LEU A 62 -3.751 -3.072 -0.605 1.00 0.00 C ATOM 891 C LEU A 62 -2.470 -2.695 -1.343 1.00 0.00 C ATOM 892 O LEU A 62 -2.265 -1.533 -1.696 1.00 0.00 O ATOM 893 CB LEU A 62 -3.432 -3.436 0.847 1.00 0.00 C ATOM 894 CG LEU A 62 -2.598 -2.405 1.613 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.086 -0.992 1.329 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.646 -2.694 3.105 1.00 0.00 C ATOM 0 H LEU A 62 -4.458 -5.042 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.421 -2.212 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.370 -3.588 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.901 -4.388 0.857 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.565 -2.480 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.478 -0.278 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.003 -0.786 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.127 -0.898 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.049 -1.954 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.678 -2.646 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.245 -3.689 3.296 1.00 0.00 H new ATOM 908 N ALA A 63 -1.611 -3.684 -1.572 1.00 0.00 N ATOM 909 CA ALA A 63 -0.349 -3.457 -2.268 1.00 0.00 C ATOM 910 C ALA A 63 -0.574 -2.753 -3.603 1.00 0.00 C ATOM 911 O ALA A 63 0.014 -1.705 -3.871 1.00 0.00 O ATOM 912 CB ALA A 63 0.380 -4.775 -2.481 1.00 0.00 C ATOM 0 H ALA A 63 -1.766 -4.651 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 63 0.268 -2.808 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.320 -4.591 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.584 -5.238 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.241 -5.442 -3.079 1.00 0.00 H new ATOM 918 N ARG A 64 -1.433 -3.333 -4.435 1.00 0.00 N ATOM 919 CA ARG A 64 -1.739 -2.758 -5.739 1.00 0.00 C ATOM 920 C ARG A 64 -2.384 -1.385 -5.586 1.00 0.00 C ATOM 921 O ARG A 64 -2.130 -0.476 -6.376 1.00 0.00 O ATOM 922 CB ARG A 64 -2.667 -3.687 -6.525 1.00 0.00 C ATOM 923 CG ARG A 64 -2.472 -3.610 -8.030 1.00 0.00 C ATOM 924 CD ARG A 64 -2.643 -2.188 -8.542 1.00 0.00 C ATOM 925 NE ARG A 64 -2.815 -2.145 -9.992 1.00 0.00 N ATOM 926 CZ ARG A 64 -1.837 -2.383 -10.863 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.616 -2.680 -10.435 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.080 -2.323 -12.165 1.00 0.00 N ATOM 0 H ARG A 64 -1.929 -4.200 -4.229 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.804 -2.643 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.502 -4.714 -6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.702 -3.439 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.477 -3.974 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.189 -4.265 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.508 -1.731 -8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.772 -1.595 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.740 -1.919 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.424 -2.727 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.130 -2.862 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.016 -2.094 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.331 -2.505 -12.833 1.00 0.00 H new ATOM 942 N PHE A 65 -3.220 -1.243 -4.562 1.00 0.00 N ATOM 943 CA PHE A 65 -3.902 0.018 -4.299 1.00 0.00 C ATOM 944 C PHE A 65 -2.895 1.140 -4.063 1.00 0.00 C ATOM 945 O PHE A 65 -2.917 2.160 -4.749 1.00 0.00 O ATOM 946 CB PHE A 65 -4.825 -0.122 -3.086 1.00 0.00 C ATOM 947 CG PHE A 65 -5.543 1.147 -2.724 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.488 1.693 -3.578 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.271 1.794 -1.529 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.149 2.860 -3.246 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.929 2.962 -1.192 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.870 3.496 -2.052 1.00 0.00 C ATOM 0 H PHE A 65 -3.441 -1.987 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.501 0.271 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.561 -0.900 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.238 -0.454 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.710 1.201 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.537 1.381 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.884 3.275 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.708 3.457 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.386 4.408 -1.791 1.00 0.00 H new ATOM 962 N ALA A 66 -2.013 0.942 -3.088 1.00 0.00 N ATOM 963 CA ALA A 66 -0.998 1.936 -2.764 1.00 0.00 C ATOM 964 C ALA A 66 -0.095 2.208 -3.963 1.00 0.00 C ATOM 965 O ALA A 66 0.064 3.353 -4.389 1.00 0.00 O ATOM 966 CB ALA A 66 -0.171 1.478 -1.572 1.00 0.00 C ATOM 0 H ALA A 66 -1.981 0.103 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.505 2.865 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.583 2.231 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.822 1.341 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.319 0.534 -1.810 1.00 0.00 H new ATOM 972 N VAL A 67 0.492 1.146 -4.507 1.00 0.00 N ATOM 973 CA VAL A 67 1.378 1.268 -5.659 1.00 0.00 C ATOM 974 C VAL A 67 0.710 2.054 -6.784 1.00 0.00 C ATOM 975 O VAL A 67 1.249 3.051 -7.264 1.00 0.00 O ATOM 976 CB VAL A 67 1.801 -0.115 -6.193 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.809 0.031 -7.324 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.370 -0.972 -5.070 1.00 0.00 C ATOM 0 H VAL A 67 0.370 0.192 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 67 2.265 1.804 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 67 0.917 -0.615 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.095 -0.956 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.362 0.601 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.693 0.553 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.663 -1.944 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.242 -0.478 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.613 -1.108 -4.297 1.00 0.00 H new ATOM 988 N ARG A 68 -0.467 1.598 -7.196 1.00 0.00 N ATOM 989 CA ARG A 68 -1.212 2.258 -8.261 1.00 0.00 C ATOM 990 C ARG A 68 -1.634 3.663 -7.841 1.00 0.00 C ATOM 991 O ARG A 68 -1.771 4.555 -8.677 1.00 0.00 O ATOM 992 CB ARG A 68 -2.443 1.428 -8.636 1.00 0.00 C ATOM 993 CG ARG A 68 -3.325 2.083 -9.687 1.00 0.00 C ATOM 994 CD ARG A 68 -4.191 1.059 -10.404 1.00 0.00 C ATOM 995 NE ARG A 68 -3.617 0.659 -11.687 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.307 0.056 -12.652 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.595 -0.219 -12.484 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.709 -0.273 -13.788 1.00 0.00 N ATOM 0 H ARG A 68 -0.926 0.774 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.561 2.343 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.116 0.455 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.035 1.247 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.961 2.832 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.702 2.606 -10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.312 0.180 -9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.186 1.475 -10.566 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.629 0.853 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.061 0.032 -11.612 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.119 -0.681 -13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.720 -0.064 -13.923 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.238 -0.735 -14.528 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.837 3.853 -6.540 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.242 5.151 -6.011 1.00 0.00 C ATOM 1014 C GLU A 69 -1.151 6.193 -6.235 1.00 0.00 C ATOM 1015 O GLU A 69 -1.432 7.330 -6.611 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.561 5.041 -4.519 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.005 6.354 -3.893 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.180 6.977 -4.619 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -5.231 6.311 -4.731 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -4.050 8.132 -5.077 1.00 0.00 O ATOM 0 H GLU A 69 -1.728 3.125 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.138 5.469 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.345 4.297 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.678 4.678 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.276 6.182 -2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.169 7.054 -3.894 1.00 0.00 H new ATOM 1027 N TYR A 70 0.095 5.796 -6.002 1.00 0.00 N ATOM 1028 CA TYR A 70 1.228 6.698 -6.180 1.00 0.00 C ATOM 1029 C TYR A 70 1.770 6.626 -7.608 1.00 0.00 C ATOM 1030 O TYR A 70 2.476 7.527 -8.060 1.00 0.00 O ATOM 1031 CB TYR A 70 2.333 6.363 -5.169 1.00 0.00 C ATOM 1032 CG TYR A 70 3.386 5.405 -5.688 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.442 5.860 -6.467 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.319 4.048 -5.401 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.403 4.989 -6.945 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.277 3.171 -5.874 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.316 3.647 -6.645 1.00 0.00 C ATOM 1038 OH TYR A 70 6.271 2.776 -7.119 1.00 0.00 O ATOM 0 H TYR A 70 0.346 4.858 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 70 0.884 7.717 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.821 7.288 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.875 5.933 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.513 6.911 -6.703 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.505 3.672 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.218 5.358 -7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.212 2.118 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 70 6.531 2.156 -6.406 1.00 0.00 H new ATOM 1048 N ASN A 71 1.442 5.545 -8.309 1.00 0.00 N ATOM 1049 CA ASN A 71 1.904 5.352 -9.680 1.00 0.00 C ATOM 1050 C ASN A 71 0.994 6.055 -10.684 1.00 0.00 C ATOM 1051 O ASN A 71 1.425 6.406 -11.782 1.00 0.00 O ATOM 1052 CB ASN A 71 1.981 3.859 -10.004 1.00 0.00 C ATOM 1053 CG ASN A 71 3.268 3.227 -9.511 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.263 2.438 -8.566 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.380 3.574 -10.148 1.00 0.00 N ATOM 0 H ASN A 71 0.858 4.789 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 71 2.897 5.793 -9.760 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.131 3.347 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.900 3.719 -11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.277 3.183 -9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.338 4.232 -10.926 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.267 6.252 -10.310 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.227 6.907 -11.193 1.00 0.00 C ATOM 1064 C ASN A 72 -1.110 8.428 -11.107 1.00 0.00 C ATOM 1065 O ASN A 72 -1.290 9.131 -12.102 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.655 6.460 -10.852 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.274 7.258 -9.717 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.903 8.292 -9.941 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -3.097 6.781 -8.492 1.00 0.00 N ATOM 0 H ASN A 72 -0.646 5.969 -9.406 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.000 6.611 -12.217 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.281 6.556 -11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.644 5.404 -10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.489 7.275 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.569 5.920 -8.351 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.817 8.929 -9.911 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.685 10.368 -9.693 1.00 0.00 C ATOM 1078 C LYS A 73 0.272 11.000 -10.702 1.00 0.00 C ATOM 1079 O LYS A 73 -0.008 12.068 -11.248 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.207 10.657 -8.268 1.00 0.00 C ATOM 1081 CG LYS A 73 0.859 9.695 -7.771 1.00 0.00 C ATOM 1082 CD LYS A 73 1.478 10.174 -6.468 1.00 0.00 C ATOM 1083 CE LYS A 73 2.970 9.889 -6.422 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.704 10.902 -5.615 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.666 8.361 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.671 10.812 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.186 11.673 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.062 10.617 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.420 8.708 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.637 9.590 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.307 11.245 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.987 9.683 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.137 8.898 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.368 9.875 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.718 10.672 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.565 11.845 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.342 10.898 -4.640 1.00 0.00 H new ATOM 1098 N ASN A 74 1.399 10.338 -10.947 1.00 0.00 N ATOM 1099 CA ASN A 74 2.389 10.846 -11.892 1.00 0.00 C ATOM 1100 C ASN A 74 3.553 9.871 -12.056 1.00 0.00 C ATOM 1101 O ASN A 74 4.090 9.709 -13.152 1.00 0.00 O ATOM 1102 CB ASN A 74 2.910 12.215 -11.436 1.00 0.00 C ATOM 1103 CG ASN A 74 3.889 12.117 -10.279 1.00 0.00 C ATOM 1104 OD1 ASN A 74 5.049 12.510 -10.399 1.00 0.00 O ATOM 1105 ND2 ASN A 74 3.424 11.591 -9.152 1.00 0.00 N ATOM 0 H ASN A 74 1.649 9.453 -10.507 1.00 0.00 H new ATOM 0 HA ASN A 74 1.899 10.955 -12.860 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.396 12.712 -12.276 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.067 12.839 -11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.036 11.500 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.455 11.278 -9.097 1.00 0.00 H new ATOM 1112 N ASN A 75 3.943 9.229 -10.957 1.00 0.00 N ATOM 1113 CA ASN A 75 5.050 8.275 -10.974 1.00 0.00 C ATOM 1114 C ASN A 75 4.927 7.301 -12.145 1.00 0.00 C ATOM 1115 O ASN A 75 3.902 7.258 -12.825 1.00 0.00 O ATOM 1116 CB ASN A 75 5.102 7.501 -9.655 1.00 0.00 C ATOM 1117 CG ASN A 75 6.509 7.406 -9.096 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.958 8.286 -8.362 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.212 6.334 -9.442 1.00 0.00 N ATOM 0 H ASN A 75 3.508 9.352 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 75 5.975 8.839 -11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.456 7.989 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.707 6.497 -9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.164 6.215 -9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.800 5.629 -10.053 1.00 0.00 H new ATOM 1126 N ALA A 76 5.982 6.525 -12.375 1.00 0.00 N ATOM 1127 CA ALA A 76 5.998 5.555 -13.464 1.00 0.00 C ATOM 1128 C ALA A 76 4.840 4.570 -13.344 1.00 0.00 C ATOM 1129 O ALA A 76 3.987 4.702 -12.466 1.00 0.00 O ATOM 1130 CB ALA A 76 7.325 4.811 -13.487 1.00 0.00 C ATOM 0 H ALA A 76 6.838 6.549 -11.821 1.00 0.00 H new ATOM 0 HA ALA A 76 5.880 6.099 -14.401 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.324 4.090 -14.304 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.138 5.522 -13.632 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.465 4.287 -12.541 1.00 0.00 H new ATOM 1136 N LEU A 77 4.816 3.583 -14.235 1.00 0.00 N ATOM 1137 CA LEU A 77 3.763 2.574 -14.231 1.00 0.00 C ATOM 1138 C LEU A 77 4.349 1.177 -14.053 1.00 0.00 C ATOM 1139 O LEU A 77 4.630 0.481 -15.029 1.00 0.00 O ATOM 1140 CB LEU A 77 2.959 2.643 -15.531 1.00 0.00 C ATOM 1141 CG LEU A 77 1.451 2.440 -15.371 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.162 1.139 -14.638 1.00 0.00 C ATOM 1143 CD2 LEU A 77 0.831 3.618 -14.634 1.00 0.00 C ATOM 0 H LEU A 77 5.514 3.461 -14.969 1.00 0.00 H new ATOM 0 HA LEU A 77 3.100 2.778 -13.391 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.132 3.613 -15.996 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.341 1.887 -16.217 1.00 0.00 H new ATOM 0 HG LEU A 77 1.004 2.381 -16.363 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.084 1.012 -14.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.573 0.303 -15.204 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.621 1.168 -13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.242 3.457 -14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.283 3.708 -13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.007 4.534 -15.198 1.00 0.00 H new ATOM 1155 N LEU A 78 4.529 0.773 -12.801 1.00 0.00 N ATOM 1156 CA LEU A 78 5.080 -0.543 -12.492 1.00 0.00 C ATOM 1157 C LEU A 78 3.991 -1.475 -11.970 1.00 0.00 C ATOM 1158 O LEU A 78 2.820 -1.101 -11.908 1.00 0.00 O ATOM 1159 CB LEU A 78 6.206 -0.422 -11.462 1.00 0.00 C ATOM 1160 CG LEU A 78 6.011 0.671 -10.409 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.768 0.394 -9.578 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.239 0.777 -9.518 1.00 0.00 C ATOM 0 H LEU A 78 4.302 1.337 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 78 5.487 -0.966 -13.411 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.315 -1.379 -10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.141 -0.233 -11.990 1.00 0.00 H new ATOM 0 HG LEU A 78 5.876 1.624 -10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.645 1.181 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.894 0.369 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.873 -0.567 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.083 1.559 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.406 -0.175 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.110 1.023 -10.126 1.00 0.00 H new ATOM 1174 N GLU A 79 4.381 -2.690 -11.598 1.00 0.00 N ATOM 1175 CA GLU A 79 3.429 -3.670 -11.085 1.00 0.00 C ATOM 1176 C GLU A 79 4.008 -4.429 -9.896 1.00 0.00 C ATOM 1177 O GLU A 79 5.158 -4.869 -9.927 1.00 0.00 O ATOM 1178 CB GLU A 79 3.035 -4.653 -12.189 1.00 0.00 C ATOM 1179 CG GLU A 79 1.968 -4.117 -13.129 1.00 0.00 C ATOM 1180 CD GLU A 79 2.080 -4.692 -14.527 1.00 0.00 C ATOM 1181 OE1 GLU A 79 3.175 -5.174 -14.885 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 1.072 -4.661 -15.265 1.00 0.00 O ATOM 0 H GLU A 79 5.345 -3.019 -11.642 1.00 0.00 H new ATOM 0 HA GLU A 79 2.542 -3.133 -10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.922 -4.910 -12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.675 -5.575 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.983 -4.347 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.046 -3.031 -13.180 1.00 0.00 H new ATOM 1189 N PHE A 80 3.202 -4.582 -8.851 1.00 0.00 N ATOM 1190 CA PHE A 80 3.630 -5.292 -7.651 1.00 0.00 C ATOM 1191 C PHE A 80 3.467 -6.800 -7.831 1.00 0.00 C ATOM 1192 O PHE A 80 2.578 -7.255 -8.551 1.00 0.00 O ATOM 1193 CB PHE A 80 2.838 -4.799 -6.430 1.00 0.00 C ATOM 1194 CG PHE A 80 1.677 -5.677 -6.050 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.479 -5.603 -6.742 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.790 -6.577 -5.004 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.587 -6.413 -6.396 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.728 -7.388 -4.652 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.462 -7.307 -5.350 1.00 0.00 C ATOM 0 H PHE A 80 2.248 -4.224 -8.811 1.00 0.00 H new ATOM 0 HA PHE A 80 4.687 -5.085 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.515 -4.723 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.467 -3.794 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.377 -4.905 -7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.719 -6.646 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.516 -6.347 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.828 -8.084 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.293 -7.941 -5.078 1.00 0.00 H new ATOM 1209 N VAL A 81 4.328 -7.569 -7.174 1.00 0.00 N ATOM 1210 CA VAL A 81 4.274 -9.022 -7.266 1.00 0.00 C ATOM 1211 C VAL A 81 3.652 -9.627 -6.014 1.00 0.00 C ATOM 1212 O VAL A 81 2.918 -10.612 -6.088 1.00 0.00 O ATOM 1213 CB VAL A 81 5.675 -9.626 -7.476 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.172 -9.348 -8.886 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.651 -9.085 -6.442 1.00 0.00 C ATOM 0 H VAL A 81 5.070 -7.211 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 81 3.653 -9.262 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 81 5.607 -10.706 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.163 -9.783 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.485 -9.790 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.224 -8.271 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.635 -9.523 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.716 -8.001 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.302 -9.343 -5.442 1.00 0.00 H new ATOM 1225 N ARG A 82 3.949 -9.028 -4.864 1.00 0.00 N ATOM 1226 CA ARG A 82 3.420 -9.503 -3.588 1.00 0.00 C ATOM 1227 C ARG A 82 4.005 -8.706 -2.428 1.00 0.00 C ATOM 1228 O ARG A 82 5.002 -8.003 -2.587 1.00 0.00 O ATOM 1229 CB ARG A 82 3.727 -10.986 -3.400 1.00 0.00 C ATOM 1230 CG ARG A 82 5.196 -11.308 -3.554 1.00 0.00 C ATOM 1231 CD ARG A 82 5.418 -12.774 -3.886 1.00 0.00 C ATOM 1232 NE ARG A 82 6.522 -12.962 -4.825 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.804 -12.805 -4.504 1.00 0.00 C ATOM 1234 NH1 ARG A 82 8.148 -12.458 -3.269 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.745 -12.995 -5.419 1.00 0.00 N ATOM 0 H ARG A 82 4.555 -8.211 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 82 2.339 -9.362 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.394 -11.298 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.156 -11.565 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.624 -10.688 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.722 -11.060 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.624 -13.326 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.505 -13.192 -4.311 1.00 0.00 H new ATOM 0 HE ARG A 82 6.297 -13.229 -5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.428 -12.311 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.132 -12.339 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.486 -13.261 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.727 -12.875 -5.173 1.00 0.00 H new ATOM 1249 N VAL A 83 3.380 -8.821 -1.261 1.00 0.00 N ATOM 1250 CA VAL A 83 3.841 -8.111 -0.077 1.00 0.00 C ATOM 1251 C VAL A 83 4.841 -8.950 0.715 1.00 0.00 C ATOM 1252 O VAL A 83 4.688 -10.165 0.839 1.00 0.00 O ATOM 1253 CB VAL A 83 2.662 -7.717 0.839 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.531 -7.103 0.026 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.163 -8.916 1.636 1.00 0.00 C ATOM 0 H VAL A 83 2.553 -9.399 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 83 4.335 -7.203 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 83 3.021 -6.969 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.710 -6.833 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.893 -6.211 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.179 -7.825 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.333 -8.610 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.827 -9.694 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.972 -9.303 2.256 1.00 0.00 H new ATOM 1265 N VAL A 84 5.864 -8.291 1.248 1.00 0.00 N ATOM 1266 CA VAL A 84 6.889 -8.973 2.029 1.00 0.00 C ATOM 1267 C VAL A 84 6.866 -8.524 3.490 1.00 0.00 C ATOM 1268 O VAL A 84 7.388 -9.215 4.365 1.00 0.00 O ATOM 1269 CB VAL A 84 8.293 -8.724 1.444 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.614 -7.237 1.433 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.345 -9.502 2.222 1.00 0.00 C ATOM 0 H VAL A 84 6.005 -7.285 1.153 1.00 0.00 H new ATOM 0 HA VAL A 84 6.666 -10.039 1.982 1.00 0.00 H new ATOM 0 HB VAL A 84 8.303 -9.080 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.609 -7.083 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.880 -6.711 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.583 -6.851 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.329 -9.312 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.336 -9.184 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.124 -10.568 2.166 1.00 0.00 H new ATOM 1281 N LYS A 85 6.262 -7.366 3.750 1.00 0.00 N ATOM 1282 CA LYS A 85 6.182 -6.839 5.109 1.00 0.00 C ATOM 1283 C LYS A 85 4.870 -6.095 5.334 1.00 0.00 C ATOM 1284 O LYS A 85 4.271 -5.572 4.393 1.00 0.00 O ATOM 1285 CB LYS A 85 7.360 -5.904 5.390 1.00 0.00 C ATOM 1286 CG LYS A 85 8.677 -6.381 4.799 1.00 0.00 C ATOM 1287 CD LYS A 85 9.865 -5.852 5.586 1.00 0.00 C ATOM 1288 CE LYS A 85 11.104 -5.736 4.713 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.356 -5.777 5.517 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.823 -6.778 3.041 1.00 0.00 H new ATOM 0 HA LYS A 85 6.223 -7.684 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.130 -4.916 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.475 -5.794 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.700 -7.471 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.751 -6.054 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.620 -4.875 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.071 -6.516 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.113 -6.548 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.065 -4.804 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.178 -5.695 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.360 -4.987 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.406 -6.677 6.035 1.00 0.00 H new ATOM 1303 N ALA A 86 4.432 -6.048 6.588 1.00 0.00 N ATOM 1304 CA ALA A 86 3.193 -5.367 6.944 1.00 0.00 C ATOM 1305 C ALA A 86 3.231 -4.886 8.392 1.00 0.00 C ATOM 1306 O ALA A 86 3.416 -5.679 9.314 1.00 0.00 O ATOM 1307 CB ALA A 86 2.002 -6.286 6.722 1.00 0.00 C ATOM 0 H ALA A 86 4.919 -6.475 7.376 1.00 0.00 H new ATOM 0 HA ALA A 86 3.087 -4.494 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.084 -5.764 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.958 -6.578 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.109 -7.176 7.342 1.00 0.00 H new ATOM 1313 N LYS A 87 3.058 -3.582 8.583 1.00 0.00 N ATOM 1314 CA LYS A 87 3.075 -2.996 9.918 1.00 0.00 C ATOM 1315 C LYS A 87 1.828 -2.150 10.161 1.00 0.00 C ATOM 1316 O LYS A 87 1.248 -1.599 9.226 1.00 0.00 O ATOM 1317 CB LYS A 87 4.329 -2.139 10.105 1.00 0.00 C ATOM 1318 CG LYS A 87 5.624 -2.927 10.000 1.00 0.00 C ATOM 1319 CD LYS A 87 6.226 -2.826 8.608 1.00 0.00 C ATOM 1320 CE LYS A 87 7.402 -3.774 8.440 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.591 -3.329 9.218 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.904 -2.911 7.830 1.00 0.00 H new ATOM 0 HA LYS A 87 3.086 -3.810 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.333 -1.347 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.286 -1.655 11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.338 -2.555 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.435 -3.973 10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.464 -3.055 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.553 -1.802 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.111 -4.774 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.664 -3.843 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.371 -4.003 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.885 -2.386 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.349 -3.287 10.229 1.00 0.00 H new ATOM 1335 N GLU A 88 1.423 -2.054 11.424 1.00 0.00 N ATOM 1336 CA GLU A 88 0.245 -1.278 11.794 1.00 0.00 C ATOM 1337 C GLU A 88 0.638 -0.027 12.574 1.00 0.00 C ATOM 1338 O GLU A 88 1.651 -0.011 13.273 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.711 -2.131 12.629 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.471 -3.168 11.818 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.554 -4.055 10.998 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.495 -4.476 11.529 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -0.885 -4.328 9.825 1.00 0.00 O ATOM 0 H GLU A 88 1.894 -2.505 12.209 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.257 -0.970 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.144 -2.638 13.410 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.426 -1.477 13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.063 -3.788 12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.171 -2.662 11.153 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.173 1.019 12.451 1.00 0.00 N ATOM 1351 CA GLN A 89 0.086 2.275 13.145 1.00 0.00 C ATOM 1352 C GLN A 89 -1.207 3.057 13.353 1.00 0.00 C ATOM 1353 O GLN A 89 -2.163 2.906 12.592 1.00 0.00 O ATOM 1354 CB GLN A 89 1.088 3.121 12.358 1.00 0.00 C ATOM 1355 CG GLN A 89 1.553 4.363 13.102 1.00 0.00 C ATOM 1356 CD GLN A 89 2.351 5.305 12.222 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.188 6.523 12.291 1.00 0.00 O ATOM 1358 NE2 GLN A 89 3.219 4.744 11.389 1.00 0.00 N ATOM 0 H GLN A 89 -1.016 1.021 11.877 1.00 0.00 H new ATOM 0 HA GLN A 89 0.509 2.041 14.122 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.956 2.508 12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.634 3.422 11.414 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.686 4.890 13.499 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.163 4.064 13.955 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.321 3.729 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.784 5.328 10.772 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.231 3.891 14.387 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.410 4.694 14.694 1.00 0.00 C ATOM 1369 C VAL A 90 -2.099 6.185 14.619 1.00 0.00 C ATOM 1370 O VAL A 90 -1.224 6.684 15.327 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.962 4.368 16.094 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.297 5.062 16.318 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.098 2.864 16.278 1.00 0.00 C ATOM 0 H VAL A 90 -0.448 4.029 15.026 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.163 4.446 13.946 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.257 4.740 16.837 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.671 4.819 17.313 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.165 6.141 16.233 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.013 4.724 15.569 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.489 2.653 17.273 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.781 2.466 15.528 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.121 2.394 16.165 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.824 6.891 13.757 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.630 8.326 13.587 1.00 0.00 C ATOM 1385 C VAL A 91 -3.861 8.974 12.962 1.00 0.00 C ATOM 1386 O VAL A 91 -4.044 8.935 11.746 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.404 8.630 12.707 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.116 8.364 13.471 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.451 7.813 11.424 1.00 0.00 C ATOM 0 H VAL A 91 -3.552 6.492 13.165 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.465 8.742 14.581 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.427 9.686 12.439 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.739 8.585 12.832 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.080 8.999 14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.082 7.317 13.773 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.576 8.041 10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.455 6.751 11.669 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.355 8.061 10.868 1.00 0.00 H new ATOM 1399 N SER A 92 -4.704 9.565 13.802 1.00 0.00 N ATOM 1400 CA SER A 92 -5.920 10.218 13.330 1.00 0.00 C ATOM 1401 C SER A 92 -6.829 9.223 12.615 1.00 0.00 C ATOM 1402 O SER A 92 -7.606 9.596 11.737 1.00 0.00 O ATOM 1403 CB SER A 92 -5.571 11.375 12.391 1.00 0.00 C ATOM 1404 OG SER A 92 -6.733 12.095 12.015 1.00 0.00 O ATOM 0 H SER A 92 -4.568 9.605 14.812 1.00 0.00 H new ATOM 0 HA SER A 92 -6.452 10.611 14.196 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.866 12.046 12.882 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.075 10.988 11.501 1.00 0.00 H new ATOM 0 HG SER A 92 -7.404 11.473 11.664 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.725 7.954 12.997 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.540 6.924 12.383 1.00 0.00 C ATOM 1412 C GLY A 93 -6.852 5.574 12.376 1.00 0.00 C ATOM 1413 O GLY A 93 -6.630 4.977 13.430 1.00 0.00 O ATOM 0 H GLY A 93 -6.089 7.621 13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.486 6.844 12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.777 7.214 11.359 1.00 0.00 H new ATOM 1417 N MET A 94 -6.513 5.092 11.186 1.00 0.00 N ATOM 1418 CA MET A 94 -5.844 3.805 11.046 1.00 0.00 C ATOM 1419 C MET A 94 -4.830 3.840 9.907 1.00 0.00 C ATOM 1420 O MET A 94 -5.196 3.987 8.741 1.00 0.00 O ATOM 1421 CB MET A 94 -6.870 2.697 10.797 1.00 0.00 C ATOM 1422 CG MET A 94 -7.757 2.410 11.997 1.00 0.00 C ATOM 1423 SD MET A 94 -6.941 1.384 13.234 1.00 0.00 S ATOM 1424 CE MET A 94 -7.011 2.459 14.665 1.00 0.00 C ATOM 0 H MET A 94 -6.691 5.573 10.304 1.00 0.00 H new ATOM 0 HA MET A 94 -5.313 3.597 11.975 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.497 2.977 9.951 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.345 1.784 10.516 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.059 3.352 12.454 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.667 1.913 11.661 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.186 1.862 15.560 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.067 2.994 14.765 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.823 3.176 14.542 1.00 0.00 H new ATOM 1434 N MET A 95 -3.554 3.701 10.253 1.00 0.00 N ATOM 1435 CA MET A 95 -2.486 3.714 9.261 1.00 0.00 C ATOM 1436 C MET A 95 -1.824 2.344 9.162 1.00 0.00 C ATOM 1437 O MET A 95 -1.720 1.622 10.154 1.00 0.00 O ATOM 1438 CB MET A 95 -1.442 4.774 9.617 1.00 0.00 C ATOM 1439 CG MET A 95 -0.766 5.393 8.404 1.00 0.00 C ATOM 1440 SD MET A 95 0.105 6.922 8.800 1.00 0.00 S ATOM 1441 CE MET A 95 -0.861 8.111 7.872 1.00 0.00 C ATOM 0 H MET A 95 -3.235 3.578 11.214 1.00 0.00 H new ATOM 0 HA MET A 95 -2.924 3.959 8.293 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.920 5.563 10.198 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.682 4.324 10.256 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.061 4.677 7.981 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.515 5.594 7.638 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.316 9.053 7.809 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.042 7.728 6.868 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.814 8.277 8.374 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.382 1.989 7.960 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.735 0.702 7.738 1.00 0.00 C ATOM 1453 C HIS A 96 0.481 0.846 6.827 1.00 0.00 C ATOM 1454 O HIS A 96 0.365 1.291 5.685 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.727 -0.290 7.128 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.171 -1.672 6.970 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.832 -2.803 7.402 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -0.010 -2.103 6.422 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.101 -3.869 7.128 1.00 0.00 C ATOM 1460 NE2 HIS A 96 0.008 -3.471 6.533 1.00 0.00 N ATOM 0 H HIS A 96 -1.460 2.573 7.127 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.397 0.326 8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.616 -0.335 7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.044 0.079 6.153 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -2.743 -2.815 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.758 -1.486 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.366 -4.892 7.353 1.00 0.00 H new ATOM 1469 N TYR A 97 1.643 0.458 7.340 1.00 0.00 N ATOM 1470 CA TYR A 97 2.883 0.533 6.575 1.00 0.00 C ATOM 1471 C TYR A 97 3.304 -0.858 6.116 1.00 0.00 C ATOM 1472 O TYR A 97 3.844 -1.640 6.898 1.00 0.00 O ATOM 1473 CB TYR A 97 3.993 1.162 7.419 1.00 0.00 C ATOM 1474 CG TYR A 97 3.773 2.627 7.723 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.635 3.054 8.397 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.704 3.583 7.337 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.432 4.392 8.678 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.508 4.923 7.614 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.371 5.322 8.284 1.00 0.00 C ATOM 1480 OH TYR A 97 3.172 6.655 8.562 1.00 0.00 O ATOM 0 H TYR A 97 1.753 0.088 8.284 1.00 0.00 H new ATOM 0 HA TYR A 97 2.711 1.158 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.077 0.614 8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.943 1.048 6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.897 2.328 8.706 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.596 3.274 6.812 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.543 4.708 9.203 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.242 5.654 7.307 1.00 0.00 H new ATOM 0 HH TYR A 97 2.262 6.786 8.902 1.00 0.00 H new ATOM 1490 N LEU A 98 3.049 -1.166 4.849 1.00 0.00 N ATOM 1491 CA LEU A 98 3.398 -2.474 4.302 1.00 0.00 C ATOM 1492 C LEU A 98 4.401 -2.349 3.160 1.00 0.00 C ATOM 1493 O LEU A 98 4.319 -1.431 2.344 1.00 0.00 O ATOM 1494 CB LEU A 98 2.138 -3.203 3.822 1.00 0.00 C ATOM 1495 CG LEU A 98 1.638 -2.807 2.430 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.503 -3.719 1.992 1.00 0.00 C ATOM 1497 CD2 LEU A 98 1.192 -1.353 2.417 1.00 0.00 C ATOM 0 H LEU A 98 2.605 -0.533 4.184 1.00 0.00 H new ATOM 0 HA LEU A 98 3.865 -3.055 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.335 -4.275 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.339 -3.023 4.541 1.00 0.00 H new ATOM 0 HG LEU A 98 2.460 -2.920 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.160 -3.423 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.856 -4.750 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.322 -3.639 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.840 -1.089 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.384 -1.214 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.032 -0.712 2.686 1.00 0.00 H new ATOM 1509 N THR A 99 5.342 -3.285 3.107 1.00 0.00 N ATOM 1510 CA THR A 99 6.357 -3.289 2.063 1.00 0.00 C ATOM 1511 C THR A 99 6.115 -4.436 1.090 1.00 0.00 C ATOM 1512 O THR A 99 5.939 -5.582 1.501 1.00 0.00 O ATOM 1513 CB THR A 99 7.752 -3.410 2.679 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.830 -2.685 3.893 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.853 -2.905 1.772 1.00 0.00 C ATOM 0 H THR A 99 5.422 -4.051 3.776 1.00 0.00 H new ATOM 0 HA THR A 99 6.293 -2.348 1.517 1.00 0.00 H new ATOM 0 HB THR A 99 7.901 -4.477 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.729 -2.777 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.816 -3.020 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.853 -3.479 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.684 -1.852 1.547 1.00 0.00 H new ATOM 1523 N VAL A 100 6.099 -4.122 -0.202 1.00 0.00 N ATOM 1524 CA VAL A 100 5.869 -5.135 -1.225 1.00 0.00 C ATOM 1525 C VAL A 100 6.909 -5.046 -2.339 1.00 0.00 C ATOM 1526 O VAL A 100 7.561 -4.017 -2.514 1.00 0.00 O ATOM 1527 CB VAL A 100 4.452 -5.014 -1.830 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.417 -4.822 -0.731 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.379 -3.873 -2.838 1.00 0.00 C ATOM 0 H VAL A 100 6.242 -3.179 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 100 5.960 -6.105 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 100 4.232 -5.942 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.425 -4.739 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.441 -5.677 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.642 -3.913 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.370 -3.812 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.627 -2.934 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.087 -4.055 -3.646 1.00 0.00 H new ATOM 1539 N GLU A 101 7.053 -6.131 -3.092 1.00 0.00 N ATOM 1540 CA GLU A 101 8.007 -6.175 -4.193 1.00 0.00 C ATOM 1541 C GLU A 101 7.355 -5.691 -5.483 1.00 0.00 C ATOM 1542 O GLU A 101 6.234 -6.084 -5.808 1.00 0.00 O ATOM 1543 CB GLU A 101 8.542 -7.597 -4.377 1.00 0.00 C ATOM 1544 CG GLU A 101 9.804 -7.880 -3.579 1.00 0.00 C ATOM 1545 CD GLU A 101 10.047 -9.363 -3.380 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.270 -9.998 -2.636 1.00 0.00 O ATOM 1547 OE2 GLU A 101 11.015 -9.890 -3.968 1.00 0.00 O1- ATOM 0 H GLU A 101 6.521 -6.991 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 101 8.840 -5.514 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.769 -8.308 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.745 -7.766 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.660 -7.441 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.731 -7.394 -2.606 1.00 0.00 H new ATOM 1554 N VAL A 102 8.057 -4.831 -6.212 1.00 0.00 N ATOM 1555 CA VAL A 102 7.536 -4.290 -7.461 1.00 0.00 C ATOM 1556 C VAL A 102 8.478 -4.569 -8.627 1.00 0.00 C ATOM 1557 O VAL A 102 9.691 -4.679 -8.449 1.00 0.00 O ATOM 1558 CB VAL A 102 7.304 -2.771 -7.358 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.568 -2.258 -8.585 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.539 -2.433 -6.087 1.00 0.00 C ATOM 0 H VAL A 102 8.986 -4.494 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 102 6.584 -4.789 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 102 8.274 -2.276 -7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.413 -1.183 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.159 -2.465 -9.477 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.603 -2.758 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.384 -1.355 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.573 -2.938 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.111 -2.763 -5.220 1.00 0.00 H new ATOM 1570 N ASN A 103 7.906 -4.680 -9.822 1.00 0.00 N ATOM 1571 CA ASN A 103 8.685 -4.942 -11.025 1.00 0.00 C ATOM 1572 C ASN A 103 8.324 -3.950 -12.127 1.00 0.00 C ATOM 1573 O ASN A 103 7.193 -3.468 -12.195 1.00 0.00 O ATOM 1574 CB ASN A 103 8.447 -6.373 -11.512 1.00 0.00 C ATOM 1575 CG ASN A 103 9.337 -6.741 -12.683 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.203 -6.192 -13.776 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.253 -7.676 -12.458 1.00 0.00 N ATOM 0 H ASN A 103 6.902 -4.592 -9.982 1.00 0.00 H new ATOM 0 HA ASN A 103 9.740 -4.822 -10.781 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.626 -7.068 -10.691 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.403 -6.486 -11.803 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.881 -7.966 -13.208 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.328 -8.105 -11.535 1.00 0.00 H new ATOM 1584 N ASP A 104 9.291 -3.647 -12.988 1.00 0.00 N ATOM 1585 CA ASP A 104 9.071 -2.710 -14.083 1.00 0.00 C ATOM 1586 C ASP A 104 10.028 -2.983 -15.239 1.00 0.00 C ATOM 1587 O ASP A 104 11.231 -2.745 -15.132 1.00 0.00 O ATOM 1588 CB ASP A 104 9.245 -1.272 -13.593 1.00 0.00 C ATOM 1589 CG ASP A 104 8.380 -0.291 -14.360 1.00 0.00 C ATOM 1590 OD1 ASP A 104 7.317 -0.707 -14.867 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 8.765 0.893 -14.453 1.00 0.00 O ATOM 0 H ASP A 104 10.233 -4.036 -12.948 1.00 0.00 H new ATOM 0 HA ASP A 104 8.051 -2.846 -14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.996 -1.220 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.291 -0.982 -13.690 1.00 0.00 H new ATOM 1596 N ALA A 105 9.485 -3.482 -16.346 1.00 0.00 N ATOM 1597 CA ALA A 105 10.288 -3.785 -17.526 1.00 0.00 C ATOM 1598 C ALA A 105 11.459 -4.699 -17.180 1.00 0.00 C ATOM 1599 O ALA A 105 12.509 -4.648 -17.820 1.00 0.00 O ATOM 1600 CB ALA A 105 10.792 -2.499 -18.164 1.00 0.00 C ATOM 0 H ALA A 105 8.491 -3.685 -16.450 1.00 0.00 H new ATOM 0 HA ALA A 105 9.653 -4.310 -18.239 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.390 -2.739 -19.043 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.943 -1.882 -18.460 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.405 -1.953 -17.447 1.00 0.00 H new ATOM 1606 N GLY A 106 11.272 -5.534 -16.163 1.00 0.00 N ATOM 1607 CA GLY A 106 12.322 -6.446 -15.750 1.00 0.00 C ATOM 1608 C GLY A 106 12.986 -6.019 -14.456 1.00 0.00 C ATOM 1609 O GLY A 106 13.494 -6.854 -13.707 1.00 0.00 O ATOM 0 H GLY A 106 10.412 -5.595 -15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.904 -7.445 -15.627 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.074 -6.510 -16.537 1.00 0.00 H new ATOM 1613 N LYS A 107 12.981 -4.717 -14.190 1.00 0.00 N ATOM 1614 CA LYS A 107 13.587 -4.184 -12.975 1.00 0.00 C ATOM 1615 C LYS A 107 12.766 -4.567 -11.748 1.00 0.00 C ATOM 1616 O LYS A 107 11.662 -4.063 -11.547 1.00 0.00 O ATOM 1617 CB LYS A 107 13.710 -2.662 -13.067 1.00 0.00 C ATOM 1618 CG LYS A 107 15.001 -2.195 -13.721 1.00 0.00 C ATOM 1619 CD LYS A 107 15.398 -0.808 -13.241 1.00 0.00 C ATOM 1620 CE LYS A 107 14.707 0.279 -14.048 1.00 0.00 C ATOM 1621 NZ LYS A 107 14.815 1.612 -13.391 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.565 -4.012 -14.798 1.00 0.00 H new ATOM 0 HA LYS A 107 14.583 -4.615 -12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.864 -2.271 -13.632 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.647 -2.239 -12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.800 -2.901 -13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 107 14.879 -2.185 -14.804 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.141 -0.699 -12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 107 16.479 -0.690 -13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.148 0.328 -15.044 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.656 0.022 -14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.331 2.326 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.372 1.573 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.818 1.869 -13.290 1.00 0.00 H new ATOM 1635 N LYS A 108 13.314 -5.461 -10.933 1.00 0.00 N ATOM 1636 CA LYS A 108 12.633 -5.914 -9.725 1.00 0.00 C ATOM 1637 C LYS A 108 13.277 -5.313 -8.480 1.00 0.00 C ATOM 1638 O LYS A 108 14.499 -5.186 -8.400 1.00 0.00 O ATOM 1639 CB LYS A 108 12.664 -7.442 -9.643 1.00 0.00 C ATOM 1640 CG LYS A 108 11.977 -8.002 -8.408 1.00 0.00 C ATOM 1641 CD LYS A 108 10.563 -8.464 -8.718 1.00 0.00 C ATOM 1642 CE LYS A 108 9.788 -8.772 -7.447 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.733 -10.234 -7.171 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.228 -5.887 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 108 11.597 -5.579 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.187 -7.854 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.701 -7.777 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.556 -8.838 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.949 -7.240 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.043 -7.692 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.599 -9.353 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.254 -8.261 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.774 -8.381 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.629 -10.391 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.921 -10.651 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.611 -10.683 -7.502 1.00 0.00 H new ATOM 1657 N LYS A 109 12.447 -4.944 -7.508 1.00 0.00 N ATOM 1658 CA LYS A 109 12.940 -4.357 -6.268 1.00 0.00 C ATOM 1659 C LYS A 109 11.872 -4.395 -5.179 1.00 0.00 C ATOM 1660 O LYS A 109 10.737 -4.805 -5.421 1.00 0.00 O ATOM 1661 CB LYS A 109 13.390 -2.914 -6.505 1.00 0.00 C ATOM 1662 CG LYS A 109 14.851 -2.791 -6.908 1.00 0.00 C ATOM 1663 CD LYS A 109 15.407 -1.417 -6.572 1.00 0.00 C ATOM 1664 CE LYS A 109 16.650 -1.105 -7.389 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.260 0.196 -6.999 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.433 -5.041 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 109 13.793 -4.948 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.768 -2.472 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.222 -2.336 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.436 -3.556 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.951 -2.974 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.646 -0.659 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.647 -1.370 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.381 -1.903 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.392 -1.082 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.105 0.371 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.572 0.961 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.530 0.166 -5.995 1.00 0.00 H new ATOM 1679 N LEU A 110 12.247 -3.961 -3.980 1.00 0.00 N ATOM 1680 CA LEU A 110 11.328 -3.940 -2.848 1.00 0.00 C ATOM 1681 C LEU A 110 11.044 -2.505 -2.413 1.00 0.00 C ATOM 1682 O LEU A 110 11.957 -1.769 -2.042 1.00 0.00 O ATOM 1683 CB LEU A 110 11.913 -4.739 -1.680 1.00 0.00 C ATOM 1684 CG LEU A 110 11.173 -4.589 -0.348 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.690 -4.875 -0.527 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.773 -5.511 0.701 1.00 0.00 C ATOM 0 H LEU A 110 13.184 -3.618 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 110 10.389 -4.399 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.925 -5.794 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.950 -4.435 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 110 11.285 -3.560 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.180 -4.764 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.268 -4.173 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.557 -5.893 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.235 -5.391 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.692 -6.545 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.823 -5.259 0.849 1.00 0.00 H new ATOM 1698 N TYR A 111 9.774 -2.113 -2.463 1.00 0.00 N ATOM 1699 CA TYR A 111 9.378 -0.764 -2.076 1.00 0.00 C ATOM 1700 C TYR A 111 8.357 -0.792 -0.941 1.00 0.00 C ATOM 1701 O TYR A 111 7.530 -1.700 -0.857 1.00 0.00 O ATOM 1702 CB TYR A 111 8.801 -0.014 -3.280 1.00 0.00 C ATOM 1703 CG TYR A 111 9.627 -0.152 -4.542 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.015 -0.219 -4.488 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.016 -0.212 -5.788 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.768 -0.341 -5.640 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.763 -0.335 -6.944 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.138 -0.399 -6.865 1.00 0.00 C ATOM 1709 OH TYR A 111 11.884 -0.522 -8.014 1.00 0.00 O ATOM 0 H TYR A 111 9.004 -2.709 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 111 10.267 -0.243 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.793 -0.381 -3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.713 1.043 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.512 -0.175 -3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.939 -0.162 -5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.845 -0.391 -5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.272 -0.381 -7.905 1.00 0.00 H new ATOM 0 HH TYR A 111 11.287 -0.550 -8.790 1.00 0.00 H new ATOM 1719 N GLU A 112 8.424 0.213 -0.072 1.00 0.00 N ATOM 1720 CA GLU A 112 7.510 0.313 1.060 1.00 0.00 C ATOM 1721 C GLU A 112 6.385 1.301 0.766 1.00 0.00 C ATOM 1722 O GLU A 112 6.595 2.318 0.103 1.00 0.00 O ATOM 1723 CB GLU A 112 8.267 0.743 2.318 1.00 0.00 C ATOM 1724 CG GLU A 112 7.799 0.037 3.580 1.00 0.00 C ATOM 1725 CD GLU A 112 7.384 1.005 4.672 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.257 1.414 5.466 1.00 0.00 O ATOM 1727 OE2 GLU A 112 6.186 1.353 4.732 1.00 0.00 O1- ATOM 0 H GLU A 112 9.104 0.971 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 112 7.071 -0.670 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.330 0.549 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.154 1.819 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.958 -0.613 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.599 -0.603 3.952 1.00 0.00 H new ATOM 1734 N ALA A 113 5.191 0.994 1.263 1.00 0.00 N ATOM 1735 CA ALA A 113 4.032 1.853 1.055 1.00 0.00 C ATOM 1736 C ALA A 113 3.254 2.053 2.351 1.00 0.00 C ATOM 1737 O ALA A 113 2.963 1.092 3.066 1.00 0.00 O ATOM 1738 CB ALA A 113 3.127 1.262 -0.016 1.00 0.00 C ATOM 0 H ALA A 113 5.001 0.156 1.813 1.00 0.00 H new ATOM 0 HA ALA A 113 4.389 2.828 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.265 1.912 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.679 1.175 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.788 0.275 0.298 1.00 0.00 H new ATOM 1744 N LYS A 114 2.913 3.305 2.646 1.00 0.00 N ATOM 1745 CA LYS A 114 2.161 3.619 3.857 1.00 0.00 C ATOM 1746 C LYS A 114 0.788 4.187 3.512 1.00 0.00 C ATOM 1747 O LYS A 114 0.679 5.263 2.925 1.00 0.00 O ATOM 1748 CB LYS A 114 2.932 4.605 4.735 1.00 0.00 C ATOM 1749 CG LYS A 114 3.269 5.905 4.032 1.00 0.00 C ATOM 1750 CD LYS A 114 4.549 6.517 4.578 1.00 0.00 C ATOM 1751 CE LYS A 114 5.777 5.763 4.093 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.984 6.635 4.048 1.00 0.00 N1+ ATOM 0 H LYS A 114 3.144 4.113 2.068 1.00 0.00 H new ATOM 0 HA LYS A 114 2.023 2.692 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.342 4.825 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.855 4.134 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.378 5.724 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.446 6.610 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.616 7.560 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.522 6.508 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.966 4.916 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.585 5.358 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.267 6.785 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.767 7.552 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.762 6.178 4.566 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.257 3.452 3.878 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.625 3.876 3.606 1.00 0.00 C ATOM 1768 C VAL A 115 -2.321 4.349 4.878 1.00 0.00 C ATOM 1769 O VAL A 115 -2.017 3.880 5.975 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.451 2.739 2.976 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -3.808 3.253 2.518 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.694 2.107 1.818 1.00 0.00 C ATOM 0 H VAL A 115 -0.182 2.559 4.364 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.562 4.705 2.901 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.616 1.973 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.377 2.435 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.353 3.653 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.668 4.040 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.293 1.306 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.495 2.862 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.750 1.699 2.180 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.253 5.282 4.721 1.00 0.00 N ATOM 1783 CA TRP A 116 -3.994 5.825 5.854 1.00 0.00 C ATOM 1784 C TRP A 116 -5.497 5.705 5.627 1.00 0.00 C ATOM 1785 O TRP A 116 -5.979 5.870 4.507 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.614 7.289 6.078 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.265 7.900 7.282 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.285 7.394 8.550 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -4.992 9.133 7.330 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -4.979 8.238 9.383 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.423 9.312 8.658 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.318 10.104 6.378 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.163 10.423 9.056 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.054 11.205 6.776 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.468 11.357 8.105 1.00 0.00 C ATOM 0 H TRP A 116 -3.514 5.679 3.818 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.733 5.248 6.741 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.532 7.363 6.184 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.888 7.866 5.195 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.823 6.466 8.854 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.138 8.089 10.379 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.001 9.996 5.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.485 10.543 10.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.314 11.961 6.049 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.040 12.230 8.385 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.231 5.416 6.697 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.680 5.273 6.615 1.00 0.00 C ATOM 1808 C GLU A 117 -8.338 5.627 7.945 1.00 0.00 C ATOM 1809 O GLU A 117 -8.035 5.028 8.977 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.050 3.843 6.213 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.549 3.601 6.131 1.00 0.00 C ATOM 1812 CD GLU A 117 -9.904 2.462 5.195 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.322 1.368 5.344 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -10.766 2.665 4.314 1.00 0.00 O1- ATOM 0 H GLU A 117 -5.846 5.276 7.631 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.046 5.963 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.601 3.619 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.617 3.149 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.933 3.381 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.043 4.512 5.793 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.239 6.604 7.915 1.00 0.00 N ATOM 1822 CA GLN A 118 -9.937 7.037 9.118 1.00 0.00 C ATOM 1823 C GLN A 118 -11.317 6.393 9.207 1.00 0.00 C ATOM 1824 O GLN A 118 -11.754 5.706 8.283 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.073 8.560 9.134 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.874 9.290 8.549 1.00 0.00 C ATOM 1827 CD GLN A 118 -8.993 9.502 7.052 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.929 10.145 6.577 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.042 8.959 6.300 1.00 0.00 N ATOM 0 H GLN A 118 -9.502 7.110 7.070 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.351 6.722 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.966 8.841 8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.222 8.891 10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.766 10.256 9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.968 8.721 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.284 8.434 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.069 9.067 5.286 1.00 0.00 H new ATOM 1838 N VAL A 119 -11.999 6.619 10.325 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.330 6.063 10.536 1.00 0.00 C ATOM 1840 C VAL A 119 -14.377 7.169 10.637 1.00 0.00 C ATOM 1841 O VAL A 119 -15.496 7.025 10.144 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.381 5.197 11.811 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.055 6.031 13.040 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.743 4.532 11.953 1.00 0.00 C ATOM 0 H VAL A 119 -11.651 7.184 11.100 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.554 5.435 9.673 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.628 4.414 11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.096 5.401 13.929 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.054 6.451 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.780 6.839 13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.759 3.925 12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.517 5.297 12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.930 3.897 11.087 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.004 8.271 11.278 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.909 9.404 11.444 1.00 0.00 C ATOM 1856 C TRP A 120 -14.903 10.298 10.207 1.00 0.00 C ATOM 1857 O TRP A 120 -15.839 11.064 9.980 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.517 10.219 12.677 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.098 10.700 12.642 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.628 11.823 12.025 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.965 10.069 13.247 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.271 11.930 12.211 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.841 10.865 12.958 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.791 8.908 14.007 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.562 10.537 13.402 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.521 8.584 14.446 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.422 9.396 14.143 1.00 0.00 C ATOM 0 H TRP A 120 -13.081 8.405 11.692 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.917 9.012 11.579 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.183 11.078 12.763 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.665 9.610 13.569 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.234 12.525 11.472 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.680 12.680 11.852 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.633 8.276 14.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.712 11.161 13.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.374 7.689 15.033 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.443 9.116 14.502 1.00 0.00 H new ATOM 1878 N MET A 121 -13.843 10.196 9.409 1.00 0.00 N ATOM 1879 CA MET A 121 -13.720 10.995 8.196 1.00 0.00 C ATOM 1880 C MET A 121 -14.150 10.191 6.973 1.00 0.00 C ATOM 1881 O MET A 121 -14.558 10.754 5.958 1.00 0.00 O ATOM 1882 CB MET A 121 -12.279 11.479 8.023 1.00 0.00 C ATOM 1883 CG MET A 121 -12.068 12.336 6.784 1.00 0.00 C ATOM 1884 SD MET A 121 -11.662 14.048 7.180 1.00 0.00 S ATOM 1885 CE MET A 121 -10.158 14.267 6.233 1.00 0.00 C ATOM 0 H MET A 121 -13.058 9.568 9.582 1.00 0.00 H new ATOM 0 HA MET A 121 -14.376 11.860 8.290 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.989 12.051 8.904 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.618 10.614 7.973 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.266 11.907 6.183 1.00 0.00 H new ATOM 0 HG3 MET A 121 -12.971 12.313 6.174 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.783 15.281 6.375 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.408 13.552 6.571 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.366 14.102 5.176 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.054 8.868 7.079 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.432 7.983 5.985 1.00 0.00 C ATOM 1897 C ASN A 122 -13.556 8.227 4.761 1.00 0.00 C ATOM 1898 O ASN A 122 -14.051 8.325 3.638 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.906 8.181 5.624 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.827 7.315 6.461 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.659 6.579 5.930 1.00 0.00 O ATOM 1902 ND2 ASN A 122 -16.683 7.399 7.779 1.00 0.00 N ATOM 0 H ASN A 122 -13.717 8.387 7.913 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.284 6.955 6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.173 9.229 5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.053 7.950 4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.275 6.840 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -15.980 8.022 8.177 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.250 8.324 4.986 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.302 8.555 3.903 1.00 0.00 C ATOM 1911 C PHE A 123 -10.128 7.586 3.992 1.00 0.00 C ATOM 1912 O PHE A 123 -9.624 7.305 5.080 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.794 9.998 3.942 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.761 10.660 2.593 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.024 10.111 1.556 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.466 11.830 2.364 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -9.992 10.718 0.315 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.438 12.441 1.125 1.00 0.00 C ATOM 1919 CZ PHE A 123 -10.699 11.884 0.099 1.00 0.00 C ATOM 0 H PHE A 123 -11.824 8.246 5.909 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.818 8.385 2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.430 10.581 4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.791 10.010 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.469 9.199 1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.044 12.270 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.414 10.280 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -11.993 13.353 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 123 -10.674 12.360 -0.870 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.699 7.077 2.841 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.585 6.138 2.789 1.00 0.00 C ATOM 1931 C ARG A 124 -7.755 6.351 1.527 1.00 0.00 C ATOM 1932 O ARG A 124 -8.284 6.340 0.416 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.100 4.699 2.838 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.173 4.400 1.803 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.518 4.976 2.214 1.00 0.00 C ATOM 1936 NE ARG A 124 -12.629 4.120 1.804 1.00 0.00 N ATOM 1937 CZ ARG A 124 -13.005 3.950 0.539 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -12.364 4.574 -0.442 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -14.026 3.153 0.252 1.00 0.00 N ATOM 0 H ARG A 124 -10.106 7.299 1.933 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.949 6.318 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.263 4.017 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.500 4.499 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.877 4.815 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.263 3.322 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.541 5.106 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.640 5.965 1.771 1.00 0.00 H new ATOM 0 HE ARG A 124 -13.146 3.624 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.578 5.188 -0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.657 4.439 -1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -14.523 2.671 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.314 3.023 -0.718 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.451 6.545 1.705 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.553 6.760 0.575 1.00 0.00 C ATOM 1955 C GLN A 125 -4.099 6.534 0.978 1.00 0.00 C ATOM 1956 O GLN A 125 -3.793 6.334 2.154 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.726 8.177 0.024 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.330 9.265 1.009 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.291 10.438 1.000 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.226 10.482 0.201 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.064 11.396 1.891 1.00 0.00 N ATOM 0 H GLN A 125 -5.994 6.558 2.617 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.810 6.039 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.127 8.282 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.767 8.321 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.287 8.843 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.328 9.620 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.276 11.318 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.677 12.210 1.932 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.207 6.570 -0.007 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.783 6.373 0.239 1.00 0.00 C ATOM 1972 C LEU A 126 -1.110 7.695 0.593 1.00 0.00 C ATOM 1973 O LEU A 126 -1.413 8.734 0.006 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.113 5.754 -0.991 1.00 0.00 C ATOM 1975 CG LEU A 126 0.417 5.711 -0.950 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.934 4.435 -1.595 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.001 6.934 -1.641 1.00 0.00 C ATOM 0 H LEU A 126 -3.446 6.734 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.672 5.692 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.486 4.737 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.421 6.315 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 126 0.734 5.719 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.023 4.423 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.542 3.571 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.608 4.395 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.089 6.888 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.675 6.955 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.658 7.836 -1.135 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.196 7.651 1.557 1.00 0.00 N ATOM 1990 CA GLN A 127 0.516 8.848 1.987 1.00 0.00 C ATOM 1991 C GLN A 127 1.878 8.952 1.312 1.00 0.00 C ATOM 1992 O GLN A 127 2.195 9.968 0.693 1.00 0.00 O ATOM 1993 CB GLN A 127 0.688 8.848 3.507 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.557 9.291 4.256 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.791 8.521 3.832 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -1.861 7.303 3.992 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.770 9.229 3.282 1.00 0.00 N ATOM 0 H GLN A 127 0.068 6.801 2.054 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.079 9.713 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.962 7.845 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.515 9.506 3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.400 9.159 5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.720 10.355 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.669 10.238 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.624 8.764 2.972 1.00 0.00 H new ATOM 2006 N GLU A 128 2.684 7.902 1.437 1.00 0.00 N ATOM 2007 CA GLU A 128 4.013 7.897 0.836 1.00 0.00 C ATOM 2008 C GLU A 128 4.409 6.506 0.349 1.00 0.00 C ATOM 2009 O GLU A 128 3.909 5.488 0.839 1.00 0.00 O ATOM 2010 CB GLU A 128 5.056 8.410 1.835 1.00 0.00 C ATOM 2011 CG GLU A 128 4.550 9.524 2.737 1.00 0.00 C ATOM 2012 CD GLU A 128 4.428 10.851 2.013 1.00 0.00 C ATOM 2013 OE1 GLU A 128 5.095 11.022 0.971 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.667 11.719 2.489 1.00 0.00 O1- ATOM 0 H GLU A 128 2.443 7.051 1.944 1.00 0.00 H new ATOM 0 HA GLU A 128 3.980 8.562 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.391 7.578 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.926 8.768 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.577 9.245 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.227 9.637 3.583 1.00 0.00 H new ATOM 2021 N PHE A 129 5.323 6.483 -0.617 1.00 0.00 N ATOM 2022 CA PHE A 129 5.821 5.240 -1.193 1.00 0.00 C ATOM 2023 C PHE A 129 7.334 5.318 -1.376 1.00 0.00 C ATOM 2024 O PHE A 129 7.825 6.036 -2.247 1.00 0.00 O ATOM 2025 CB PHE A 129 5.144 4.975 -2.541 1.00 0.00 C ATOM 2026 CG PHE A 129 5.124 3.526 -2.937 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.202 2.958 -3.597 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.023 2.733 -2.655 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.183 1.626 -3.967 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.998 1.401 -3.023 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.079 0.847 -3.680 1.00 0.00 C ATOM 0 H PHE A 129 5.737 7.323 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 129 5.588 4.420 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.119 5.345 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.659 5.546 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.067 3.563 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.175 3.161 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.030 1.195 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.134 0.794 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.061 -0.193 -3.969 1.00 0.00 H new ATOM 2041 N THR A 130 8.069 4.588 -0.544 1.00 0.00 N ATOM 2042 CA THR A 130 9.527 4.592 -0.613 1.00 0.00 C ATOM 2043 C THR A 130 10.044 3.379 -1.377 1.00 0.00 C ATOM 2044 O THR A 130 9.409 2.327 -1.392 1.00 0.00 O ATOM 2045 CB THR A 130 10.126 4.615 0.795 1.00 0.00 C ATOM 2046 OG1 THR A 130 10.044 3.335 1.395 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.444 5.600 1.720 1.00 0.00 C ATOM 0 H THR A 130 7.681 3.988 0.184 1.00 0.00 H new ATOM 0 HA THR A 130 9.835 5.491 -1.147 1.00 0.00 H new ATOM 0 HB THR A 130 11.163 4.924 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.433 3.369 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.917 5.565 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.533 6.606 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.390 5.339 1.816 1.00 0.00 H new ATOM 2055 N TYR A 131 11.202 3.534 -2.011 1.00 0.00 N ATOM 2056 CA TYR A 131 11.805 2.451 -2.778 1.00 0.00 C ATOM 2057 C TYR A 131 13.055 1.919 -2.083 1.00 0.00 C ATOM 2058 O TYR A 131 14.068 2.612 -1.991 1.00 0.00 O ATOM 2059 CB TYR A 131 12.156 2.930 -4.187 1.00 0.00 C ATOM 2060 CG TYR A 131 13.042 4.155 -4.208 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.502 5.429 -4.089 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.420 4.037 -4.347 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.308 6.551 -4.108 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.233 5.154 -4.366 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.673 6.408 -4.246 1.00 0.00 C ATOM 2066 OH TYR A 131 15.479 7.523 -4.265 1.00 0.00 O ATOM 0 H TYR A 131 11.741 4.400 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 131 11.078 1.641 -2.847 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.655 2.122 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.235 3.149 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.434 5.545 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.862 3.056 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.872 7.535 -4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.302 5.045 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 131 16.414 7.249 -4.368 1.00 0.00 H new ATOM 2076 N LEU A 132 12.975 0.685 -1.596 1.00 0.00 N ATOM 2077 CA LEU A 132 14.098 0.058 -0.910 1.00 0.00 C ATOM 2078 C LEU A 132 15.010 -0.656 -1.902 1.00 0.00 C ATOM 2079 O LEU A 132 14.869 -0.499 -3.115 1.00 0.00 O ATOM 2080 CB LEU A 132 13.595 -0.933 0.143 1.00 0.00 C ATOM 2081 CG LEU A 132 12.314 -0.518 0.871 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.992 -1.501 1.985 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.447 0.893 1.425 1.00 0.00 C ATOM 0 H LEU A 132 12.143 0.099 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 132 14.671 0.842 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.424 -1.895 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.382 -1.083 0.883 1.00 0.00 H new ATOM 0 HG LEU A 132 11.493 -0.529 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.078 -1.190 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.852 -2.496 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.814 -1.522 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.527 1.170 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.280 0.931 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.630 1.589 0.607 1.00 0.00 H new ATOM 2095 N GLY A 133 15.946 -1.442 -1.379 1.00 0.00 N ATOM 2096 CA GLY A 133 16.866 -2.169 -2.233 1.00 0.00 C ATOM 2097 C GLY A 133 16.203 -3.335 -2.940 1.00 0.00 C ATOM 2098 O GLY A 133 15.977 -3.290 -4.149 1.00 0.00 O ATOM 0 H GLY A 133 16.083 -1.588 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.283 -1.488 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.699 -2.537 -1.634 1.00 0.00 H new ATOM 2102 N ASP A 134 15.890 -4.382 -2.183 1.00 0.00 N ATOM 2103 CA ASP A 134 15.249 -5.566 -2.744 1.00 0.00 C ATOM 2104 C ASP A 134 14.932 -6.582 -1.651 1.00 0.00 C ATOM 2105 O ASP A 134 15.506 -6.537 -0.563 1.00 0.00 O ATOM 2106 CB ASP A 134 16.147 -6.205 -3.805 1.00 0.00 C ATOM 2107 CG ASP A 134 15.465 -7.353 -4.524 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.217 -7.382 -4.547 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 16.181 -8.223 -5.063 1.00 0.00 O ATOM 0 H ASP A 134 16.070 -4.435 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 134 14.314 -5.255 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.441 -5.448 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.061 -6.567 -3.334 1.00 0.00 H new ATOM 2114 N ALA A 135 14.016 -7.498 -1.949 1.00 0.00 N ATOM 2115 CA ALA A 135 13.624 -8.525 -0.992 1.00 0.00 C ATOM 2116 C ALA A 135 14.044 -9.911 -1.471 1.00 0.00 C ATOM 2117 O ALA A 135 13.599 -10.906 -0.862 1.00 0.00 O ATOM 2118 CB ALA A 135 12.122 -8.480 -0.756 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.814 -9.988 -2.451 1.00 0.00 O ATOM 0 H ALA A 135 13.532 -7.550 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 135 14.135 -8.324 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.843 -9.252 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.845 -7.502 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.600 -8.653 -1.697 1.00 0.00 H new TER 2125 ALA A 135