USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=20 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 118 GLN : amide:sc= -7.94 K(o=-19,f=-31!) USER MOD Set 1.2: A 125 GLN : amide:sc= -3.13 K(o=-19,f=-20!) USER MOD Set 1.3: A 127 GLN : amide:sc= -8.25! C(o=-19!,f=-24!) USER MOD Set 2.1: A 70 TYR OH : rot 133:sc= -0.857 USER MOD Set 2.2: A 71 ASN : amide:sc= -7.29! C(o=-8.2!,f=-15!) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.382 K(o=0.98,f=-5.3!) USER MOD Set 3.2: A 8 LYS NZ :NH3+ -116:sc= 0.598 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.16) USER MOD Single : A 35 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.9!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0146 K(o=-0.015,f=-0.79) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -0.718 (180deg=-0.727) USER MOD Single : A 72 ASN : amide:sc= -3.64 K(o=-3.6,f=-4.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.283 F(o=-1.2,f=-0.28) USER MOD Single : A 75 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.01) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0765) USER MOD Single : A 89 GLN : amide:sc= -7.1! C(o=-7.1!,f=-14!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 142:sc= -2.83 (180deg=-5.24!) USER MOD Single : A 95 MET CE :methyl -159:sc= -4.63! (180deg=-6.39!) USER MOD Single : A 96 HIS : no HE2:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 97 TYR OH : rot 145:sc= 1.17 USER MOD Single : A 99 THR OG1 : rot -172:sc= -1.77 USER MOD Single : A 103 ASN : amide:sc= -0.661 K(o=-0.66,f=-5!) USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= -0.0137 (180deg=-0.565) USER MOD Single : A 108 LYS NZ :NH3+ 159:sc= -1.31! (180deg=-1.56!) USER MOD Single : A 109 LYS NZ :NH3+ 156:sc= -0.416 (180deg=-1.39!) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 114 LYS NZ :NH3+ 152:sc= -2.5 (180deg=-4.92!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.165 F(o=-1,f=-0.16) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.764 2.681 17.234 1.00 0.00 N ATOM 2 CA MET A 1 11.787 2.080 16.288 1.00 0.00 C ATOM 3 C MET A 1 12.253 2.233 14.844 1.00 0.00 C ATOM 4 O MET A 1 13.382 2.650 14.586 1.00 0.00 O ATOM 5 CB MET A 1 10.433 2.767 16.486 1.00 0.00 C ATOM 6 CG MET A 1 9.343 1.831 16.982 1.00 0.00 C ATOM 7 SD MET A 1 9.792 0.993 18.515 1.00 0.00 S ATOM 8 CE MET A 1 8.213 0.967 19.361 1.00 0.00 C ATOM 0 H1 MET A 1 12.421 2.562 18.209 1.00 0.00 H new ATOM 0 H2 MET A 1 13.684 2.207 17.130 1.00 0.00 H new ATOM 0 H3 MET A 1 12.871 3.694 17.026 1.00 0.00 H new ATOM 0 HA MET A 1 11.699 1.013 16.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.550 3.584 17.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.118 3.210 15.541 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.425 2.398 17.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.131 1.087 16.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.327 0.479 20.329 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.863 1.988 19.509 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.488 0.418 18.761 1.00 0.00 H new ATOM 20 N ALA A 2 11.376 1.892 13.905 1.00 0.00 N ATOM 21 CA ALA A 2 11.697 1.991 12.487 1.00 0.00 C ATOM 22 C ALA A 2 12.040 3.425 12.100 1.00 0.00 C ATOM 23 O ALA A 2 12.843 3.660 11.197 1.00 0.00 O ATOM 24 CB ALA A 2 10.536 1.479 11.647 1.00 0.00 C ATOM 0 H ALA A 2 10.437 1.545 14.101 1.00 0.00 H new ATOM 0 HA ALA A 2 12.573 1.372 12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.789 1.559 10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.339 0.436 11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.647 2.075 11.853 1.00 0.00 H new ATOM 30 N ASP A 3 11.426 4.381 12.790 1.00 0.00 N ATOM 31 CA ASP A 3 11.667 5.794 12.519 1.00 0.00 C ATOM 32 C ASP A 3 11.278 6.147 11.087 1.00 0.00 C ATOM 33 O ASP A 3 11.876 7.029 10.471 1.00 0.00 O ATOM 34 CB ASP A 3 13.138 6.137 12.760 1.00 0.00 C ATOM 35 CG ASP A 3 13.645 5.611 14.088 1.00 0.00 C ATOM 36 OD1 ASP A 3 12.851 5.564 15.050 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 14.837 5.245 14.165 1.00 0.00 O ATOM 0 H ASP A 3 10.758 4.203 13.540 1.00 0.00 H new ATOM 0 HA ASP A 3 11.049 6.380 13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.742 5.721 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.266 7.219 12.728 1.00 0.00 H new ATOM 42 N GLU A 4 10.271 5.454 10.565 1.00 0.00 N ATOM 43 CA GLU A 4 9.802 5.696 9.206 1.00 0.00 C ATOM 44 C GLU A 4 8.666 6.715 9.196 1.00 0.00 C ATOM 45 O GLU A 4 7.617 6.488 8.593 1.00 0.00 O ATOM 46 CB GLU A 4 9.337 4.386 8.565 1.00 0.00 C ATOM 47 CG GLU A 4 9.683 4.274 7.089 1.00 0.00 C ATOM 48 CD GLU A 4 10.193 2.897 6.713 1.00 0.00 C ATOM 49 OE1 GLU A 4 9.531 1.900 7.072 1.00 0.00 O ATOM 50 OE2 GLU A 4 11.253 2.814 6.058 1.00 0.00 O1- ATOM 0 H GLU A 4 9.765 4.721 11.062 1.00 0.00 H new ATOM 0 HA GLU A 4 10.632 6.101 8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.788 3.550 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.257 4.296 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.800 4.505 6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.439 5.018 6.839 1.00 0.00 H new ATOM 57 N GLN A 5 8.884 7.841 9.869 1.00 0.00 N ATOM 58 CA GLN A 5 7.880 8.896 9.940 1.00 0.00 C ATOM 59 C GLN A 5 6.601 8.387 10.602 1.00 0.00 C ATOM 60 O GLN A 5 5.542 8.340 9.976 1.00 0.00 O ATOM 61 CB GLN A 5 7.570 9.427 8.538 1.00 0.00 C ATOM 62 CG GLN A 5 8.810 9.750 7.722 1.00 0.00 C ATOM 63 CD GLN A 5 9.542 10.975 8.233 1.00 0.00 C ATOM 64 OE1 GLN A 5 8.953 12.045 8.389 1.00 0.00 O ATOM 65 NE2 GLN A 5 10.835 10.825 8.496 1.00 0.00 N ATOM 0 H GLN A 5 9.747 8.046 10.373 1.00 0.00 H new ATOM 0 HA GLN A 5 8.281 9.707 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.975 8.688 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.959 10.325 8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.485 8.894 7.740 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.525 9.909 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.283 9.920 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.380 11.615 8.842 1.00 0.00 H new ATOM 74 N PRO A 6 6.683 7.998 11.887 1.00 0.00 N ATOM 75 CA PRO A 6 5.527 7.491 12.633 1.00 0.00 C ATOM 76 C PRO A 6 4.343 8.451 12.587 1.00 0.00 C ATOM 77 O PRO A 6 3.275 8.112 12.077 1.00 0.00 O ATOM 78 CB PRO A 6 6.053 7.360 14.065 1.00 0.00 C ATOM 79 CG PRO A 6 7.527 7.209 13.916 1.00 0.00 C ATOM 80 CD PRO A 6 7.906 8.020 12.710 1.00 0.00 C ATOM 0 HA PRO A 6 5.153 6.556 12.216 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.803 8.238 14.660 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.616 6.498 14.570 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.048 7.565 14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.801 6.162 13.784 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.189 9.037 12.982 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.754 7.583 12.182 1.00 0.00 H new ATOM 88 N LYS A 7 4.539 9.652 13.123 1.00 0.00 N ATOM 89 CA LYS A 7 3.488 10.662 13.144 1.00 0.00 C ATOM 90 C LYS A 7 3.870 11.863 12.285 1.00 0.00 C ATOM 91 O LYS A 7 4.953 12.429 12.439 1.00 0.00 O ATOM 92 CB LYS A 7 3.213 11.113 14.579 1.00 0.00 C ATOM 93 CG LYS A 7 1.916 11.889 14.736 1.00 0.00 C ATOM 94 CD LYS A 7 2.038 12.971 15.797 1.00 0.00 C ATOM 95 CE LYS A 7 2.585 14.264 15.214 1.00 0.00 C ATOM 96 NZ LYS A 7 2.808 15.296 16.264 1.00 0.00 N1+ ATOM 0 H LYS A 7 5.417 9.949 13.549 1.00 0.00 H new ATOM 0 HA LYS A 7 2.583 10.217 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.183 10.237 15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.041 11.734 14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.644 12.342 13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.111 11.204 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.061 13.157 16.243 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.693 12.626 16.597 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.524 14.061 14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.889 14.649 14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.181 16.162 15.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.907 15.508 16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.491 14.939 16.962 1.00 0.00 H new ATOM 110 N LYS A 8 2.975 12.248 11.382 1.00 0.00 N ATOM 111 CA LYS A 8 3.219 13.382 10.498 1.00 0.00 C ATOM 112 C LYS A 8 2.005 13.651 9.611 1.00 0.00 C ATOM 113 O LYS A 8 1.263 12.732 9.265 1.00 0.00 O ATOM 114 CB LYS A 8 4.453 13.124 9.632 1.00 0.00 C ATOM 115 CG LYS A 8 5.344 14.344 9.464 1.00 0.00 C ATOM 116 CD LYS A 8 6.813 13.957 9.401 1.00 0.00 C ATOM 117 CE LYS A 8 7.714 15.130 9.754 1.00 0.00 C ATOM 118 NZ LYS A 8 9.150 14.818 9.516 1.00 0.00 N1+ ATOM 0 H LYS A 8 2.074 11.791 11.243 1.00 0.00 H new ATOM 0 HA LYS A 8 3.396 14.262 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.036 12.317 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.131 12.781 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.067 14.875 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.183 15.031 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.003 13.132 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.054 13.600 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.428 15.999 9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.569 15.397 10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.664 14.836 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.234 13.873 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.557 15.526 8.872 1.00 0.00 H new ATOM 132 N PRO A 9 1.788 14.922 9.228 1.00 0.00 N ATOM 133 CA PRO A 9 0.657 15.307 8.377 1.00 0.00 C ATOM 134 C PRO A 9 0.570 14.458 7.113 1.00 0.00 C ATOM 135 O PRO A 9 1.494 13.712 6.789 1.00 0.00 O ATOM 136 CB PRO A 9 0.960 16.764 8.022 1.00 0.00 C ATOM 137 CG PRO A 9 1.806 17.258 9.144 1.00 0.00 C ATOM 138 CD PRO A 9 2.625 16.080 9.595 1.00 0.00 C ATOM 0 HA PRO A 9 -0.299 15.167 8.881 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.483 16.839 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.044 17.348 7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.447 18.077 8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.190 17.640 9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.594 16.050 9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.819 16.112 10.667 1.00 0.00 H new ATOM 146 N VAL A 10 -0.547 14.576 6.402 1.00 0.00 N ATOM 147 CA VAL A 10 -0.754 13.819 5.174 1.00 0.00 C ATOM 148 C VAL A 10 -1.214 14.730 4.036 1.00 0.00 C ATOM 149 O VAL A 10 -1.774 15.800 4.273 1.00 0.00 O ATOM 150 CB VAL A 10 -1.785 12.687 5.379 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.464 11.896 6.637 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.200 13.244 5.442 1.00 0.00 C ATOM 0 H VAL A 10 -1.322 15.189 6.656 1.00 0.00 H new ATOM 0 HA VAL A 10 0.205 13.375 4.906 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.726 12.015 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.200 11.103 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.470 11.457 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.491 12.560 7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.907 12.427 5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.279 13.944 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.429 13.761 4.510 1.00 0.00 H new ATOM 162 N PRO A 11 -0.982 14.314 2.780 1.00 0.00 N ATOM 163 CA PRO A 11 -1.373 15.094 1.603 1.00 0.00 C ATOM 164 C PRO A 11 -2.875 15.035 1.341 1.00 0.00 C ATOM 165 O PRO A 11 -3.644 14.573 2.184 1.00 0.00 O ATOM 166 CB PRO A 11 -0.605 14.420 0.467 1.00 0.00 C ATOM 167 CG PRO A 11 -0.445 13.007 0.909 1.00 0.00 C ATOM 168 CD PRO A 11 -0.319 13.049 2.409 1.00 0.00 C ATOM 0 HA PRO A 11 -1.148 16.154 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.153 14.482 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.362 14.897 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.302 12.405 0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.438 12.555 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.803 12.191 2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.724 13.036 2.724 1.00 0.00 H new ATOM 176 N ALA A 12 -3.285 15.504 0.168 1.00 0.00 N ATOM 177 CA ALA A 12 -4.694 15.504 -0.205 1.00 0.00 C ATOM 178 C ALA A 12 -4.893 14.914 -1.597 1.00 0.00 C ATOM 179 O ALA A 12 -4.362 15.429 -2.582 1.00 0.00 O ATOM 180 CB ALA A 12 -5.257 16.916 -0.142 1.00 0.00 C ATOM 0 H ALA A 12 -2.661 15.889 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.233 14.878 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.310 16.901 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.158 17.302 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.707 17.558 -0.830 1.00 0.00 H new ATOM 186 N ALA A 13 -5.661 13.832 -1.672 1.00 0.00 N ATOM 187 CA ALA A 13 -5.930 13.173 -2.944 1.00 0.00 C ATOM 188 C ALA A 13 -6.923 12.029 -2.770 1.00 0.00 C ATOM 189 O ALA A 13 -7.128 11.534 -1.662 1.00 0.00 O ATOM 190 CB ALA A 13 -4.635 12.660 -3.556 1.00 0.00 C ATOM 0 H ALA A 13 -6.108 13.393 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.373 13.906 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.850 12.170 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.956 13.496 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.169 11.946 -2.877 1.00 0.00 H new ATOM 196 N GLU A 14 -7.539 11.614 -3.873 1.00 0.00 N ATOM 197 CA GLU A 14 -8.511 10.527 -3.842 1.00 0.00 C ATOM 198 C GLU A 14 -8.997 10.193 -5.249 1.00 0.00 C ATOM 199 O GLU A 14 -9.979 10.760 -5.728 1.00 0.00 O ATOM 200 CB GLU A 14 -9.700 10.904 -2.956 1.00 0.00 C ATOM 201 CG GLU A 14 -10.654 9.750 -2.696 1.00 0.00 C ATOM 202 CD GLU A 14 -9.954 8.529 -2.132 1.00 0.00 C ATOM 203 OE1 GLU A 14 -9.242 7.846 -2.898 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -10.117 8.256 -0.924 1.00 0.00 O ATOM 0 H GLU A 14 -7.382 12.014 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.022 9.646 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.328 11.279 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.249 11.720 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.428 10.074 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.154 9.480 -3.626 1.00 0.00 H new ATOM 211 N GLU A 15 -8.304 9.268 -5.905 1.00 0.00 N ATOM 212 CA GLU A 15 -8.666 8.858 -7.257 1.00 0.00 C ATOM 213 C GLU A 15 -7.761 7.730 -7.744 1.00 0.00 C ATOM 214 O GLU A 15 -6.714 7.462 -7.155 1.00 0.00 O ATOM 215 CB GLU A 15 -8.577 10.048 -8.214 1.00 0.00 C ATOM 216 CG GLU A 15 -7.209 10.709 -8.238 1.00 0.00 C ATOM 217 CD GLU A 15 -6.369 10.269 -9.422 1.00 0.00 C ATOM 218 OE1 GLU A 15 -6.427 9.073 -9.779 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -5.654 11.120 -9.991 1.00 0.00 O ATOM 0 H GLU A 15 -7.489 8.788 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.693 8.493 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.827 9.713 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.324 10.789 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.333 11.792 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.680 10.474 -7.315 1.00 0.00 H new ATOM 226 N ALA A 16 -8.173 7.073 -8.823 1.00 0.00 N ATOM 227 CA ALA A 16 -7.400 5.975 -9.390 1.00 0.00 C ATOM 228 C ALA A 16 -7.332 6.078 -10.912 1.00 0.00 C ATOM 229 O ALA A 16 -8.149 6.759 -11.532 1.00 0.00 O ATOM 230 CB ALA A 16 -8.001 4.639 -8.977 1.00 0.00 C ATOM 0 H ALA A 16 -9.038 7.282 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.384 6.041 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.414 3.827 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.992 4.557 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.028 4.575 -9.337 1.00 0.00 H new ATOM 236 N PRO A 17 -6.352 5.401 -11.535 1.00 0.00 N ATOM 237 CA PRO A 17 -6.182 5.421 -12.990 1.00 0.00 C ATOM 238 C PRO A 17 -7.267 4.628 -13.711 1.00 0.00 C ATOM 239 O PRO A 17 -7.991 3.846 -13.096 1.00 0.00 O ATOM 240 CB PRO A 17 -4.815 4.766 -13.195 1.00 0.00 C ATOM 241 CG PRO A 17 -4.642 3.876 -12.014 1.00 0.00 C ATOM 242 CD PRO A 17 -5.335 4.564 -10.869 1.00 0.00 C ATOM 0 HA PRO A 17 -6.251 6.430 -13.395 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.783 4.200 -14.126 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.022 5.512 -13.248 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.077 2.894 -12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.586 3.721 -11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.790 3.847 -10.186 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.641 5.166 -10.283 1.00 0.00 H new ATOM 250 N ALA A 18 -7.374 4.836 -15.020 1.00 0.00 N ATOM 251 CA ALA A 18 -8.371 4.141 -15.825 1.00 0.00 C ATOM 252 C ALA A 18 -7.721 3.082 -16.708 1.00 0.00 C ATOM 253 O ALA A 18 -7.272 3.374 -17.817 1.00 0.00 O ATOM 254 CB ALA A 18 -9.149 5.134 -16.674 1.00 0.00 C ATOM 0 H ALA A 18 -6.782 5.480 -15.545 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.063 3.638 -15.149 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.890 4.601 -17.270 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.652 5.851 -16.026 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.463 5.663 -17.336 1.00 0.00 H new ATOM 260 N ALA A 19 -7.674 1.850 -16.210 1.00 0.00 N ATOM 261 CA ALA A 19 -7.078 0.747 -16.955 1.00 0.00 C ATOM 262 C ALA A 19 -8.090 0.118 -17.906 1.00 0.00 C ATOM 263 O ALA A 19 -9.262 0.496 -17.921 1.00 0.00 O ATOM 264 CB ALA A 19 -6.530 -0.300 -15.997 1.00 0.00 C ATOM 0 H ALA A 19 -8.041 1.591 -15.294 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.256 1.144 -17.551 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.088 -1.118 -16.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.769 0.152 -15.360 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.340 -0.685 -15.377 1.00 0.00 H new ATOM 270 N GLU A 20 -7.630 -0.843 -18.700 1.00 0.00 N ATOM 271 CA GLU A 20 -8.495 -1.525 -19.655 1.00 0.00 C ATOM 272 C GLU A 20 -7.901 -2.869 -20.065 1.00 0.00 C ATOM 273 O GLU A 20 -7.066 -2.940 -20.967 1.00 0.00 O ATOM 274 CB GLU A 20 -8.713 -0.652 -20.892 1.00 0.00 C ATOM 275 CG GLU A 20 -9.622 0.540 -20.643 1.00 0.00 C ATOM 276 CD GLU A 20 -10.051 1.225 -21.926 1.00 0.00 C ATOM 277 OE1 GLU A 20 -11.018 0.749 -22.558 1.00 0.00 O ATOM 278 OE2 GLU A 20 -9.420 2.236 -22.299 1.00 0.00 O1- ATOM 0 H GLU A 20 -6.663 -1.167 -18.701 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.455 -1.705 -19.172 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.747 -0.294 -21.248 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.139 -1.263 -21.687 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.507 0.210 -20.099 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.106 1.259 -20.007 1.00 0.00 H new ATOM 285 N ALA A 21 -8.336 -3.931 -19.397 1.00 0.00 N ATOM 286 CA ALA A 21 -7.847 -5.273 -19.692 1.00 0.00 C ATOM 287 C ALA A 21 -6.341 -5.368 -19.475 1.00 0.00 C ATOM 288 O ALA A 21 -5.558 -4.778 -20.220 1.00 0.00 O ATOM 289 CB ALA A 21 -8.202 -5.661 -21.119 1.00 0.00 C ATOM 0 H ALA A 21 -9.026 -3.889 -18.647 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.331 -5.969 -19.007 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.831 -6.665 -21.326 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.285 -5.641 -21.243 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.745 -4.955 -21.812 1.00 0.00 H new ATOM 295 N GLU A 22 -5.942 -6.114 -18.450 1.00 0.00 N ATOM 296 CA GLU A 22 -4.528 -6.286 -18.135 1.00 0.00 C ATOM 297 C GLU A 22 -4.293 -7.593 -17.385 1.00 0.00 C ATOM 298 O GLU A 22 -4.836 -7.804 -16.300 1.00 0.00 O ATOM 299 CB GLU A 22 -4.022 -5.108 -17.301 1.00 0.00 C ATOM 300 CG GLU A 22 -2.591 -4.708 -17.619 1.00 0.00 C ATOM 301 CD GLU A 22 -2.394 -3.204 -17.628 1.00 0.00 C ATOM 302 OE1 GLU A 22 -2.457 -2.591 -16.542 1.00 0.00 O1- ATOM 303 OE2 GLU A 22 -2.179 -2.641 -18.722 1.00 0.00 O ATOM 0 H GLU A 22 -6.577 -6.609 -17.824 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.975 -6.322 -19.073 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.675 -4.251 -17.465 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.092 -5.365 -16.244 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.921 -5.154 -16.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.312 -5.113 -18.592 1.00 0.00 H new ATOM 310 N ALA A 23 -3.481 -8.468 -17.970 1.00 0.00 N ATOM 311 CA ALA A 23 -3.175 -9.754 -17.356 1.00 0.00 C ATOM 312 C ALA A 23 -1.673 -10.020 -17.359 1.00 0.00 C ATOM 313 O ALA A 23 -1.110 -10.445 -18.367 1.00 0.00 O ATOM 314 CB ALA A 23 -3.911 -10.872 -18.079 1.00 0.00 C ATOM 0 H ALA A 23 -3.024 -8.309 -18.868 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.511 -9.723 -16.319 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.673 -11.827 -17.610 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.985 -10.697 -18.022 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.602 -10.894 -19.124 1.00 0.00 H new ATOM 320 N GLU A 24 -1.030 -9.765 -16.224 1.00 0.00 N ATOM 321 CA GLU A 24 0.407 -9.977 -16.095 1.00 0.00 C ATOM 322 C GLU A 24 0.701 -11.214 -15.253 1.00 0.00 C ATOM 323 O GLU A 24 1.701 -11.899 -15.467 1.00 0.00 O ATOM 324 CB GLU A 24 1.070 -8.749 -15.469 1.00 0.00 C ATOM 325 CG GLU A 24 1.184 -7.568 -16.420 1.00 0.00 C ATOM 326 CD GLU A 24 1.833 -6.360 -15.773 1.00 0.00 C ATOM 327 OE1 GLU A 24 1.113 -5.581 -15.114 1.00 0.00 O ATOM 328 OE2 GLU A 24 3.062 -6.194 -15.925 1.00 0.00 O1- ATOM 0 H GLU A 24 -1.481 -9.411 -15.380 1.00 0.00 H new ATOM 0 HA GLU A 24 0.817 -10.134 -17.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.498 -8.445 -14.592 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.066 -9.022 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.765 -7.864 -17.293 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.190 -7.295 -16.776 1.00 0.00 H new ATOM 335 N GLU A 25 -0.176 -11.493 -14.294 1.00 0.00 N ATOM 336 CA GLU A 25 -0.010 -12.648 -13.419 1.00 0.00 C ATOM 337 C GLU A 25 1.292 -12.550 -12.630 1.00 0.00 C ATOM 338 O GLU A 25 2.372 -12.808 -13.161 1.00 0.00 O ATOM 339 CB GLU A 25 -0.028 -13.940 -14.236 1.00 0.00 C ATOM 340 CG GLU A 25 -1.366 -14.220 -14.902 1.00 0.00 C ATOM 341 CD GLU A 25 -1.289 -15.348 -15.912 1.00 0.00 C ATOM 342 OE1 GLU A 25 -0.831 -15.099 -17.047 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 -1.688 -16.481 -15.569 1.00 0.00 O ATOM 0 H GLU A 25 -1.008 -10.935 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.841 -12.661 -12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.746 -13.887 -15.002 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.226 -14.776 -13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.103 -14.470 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.717 -13.315 -15.399 1.00 0.00 H new ATOM 350 N GLU A 26 1.182 -12.175 -11.360 1.00 0.00 N ATOM 351 CA GLU A 26 2.350 -12.043 -10.497 1.00 0.00 C ATOM 352 C GLU A 26 2.421 -13.193 -9.497 1.00 0.00 C ATOM 353 O GLU A 26 3.506 -13.647 -9.135 1.00 0.00 O ATOM 354 CB GLU A 26 2.313 -10.707 -9.754 1.00 0.00 C ATOM 355 CG GLU A 26 1.115 -10.556 -8.832 1.00 0.00 C ATOM 356 CD GLU A 26 0.514 -9.165 -8.879 1.00 0.00 C ATOM 357 OE1 GLU A 26 1.220 -8.228 -9.307 1.00 0.00 O ATOM 358 OE2 GLU A 26 -0.663 -9.013 -8.490 1.00 0.00 O1- ATOM 0 H GLU A 26 0.295 -11.957 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 26 3.240 -12.077 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.227 -10.601 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.305 -9.896 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.354 -11.286 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.417 -10.783 -7.810 1.00 0.00 H new ATOM 365 N GLU A 27 1.257 -13.658 -9.055 1.00 0.00 N ATOM 366 CA GLU A 27 1.187 -14.754 -8.096 1.00 0.00 C ATOM 367 C GLU A 27 0.119 -15.764 -8.502 1.00 0.00 C ATOM 368 O GLU A 27 0.428 -16.899 -8.864 1.00 0.00 O ATOM 369 CB GLU A 27 0.892 -14.216 -6.695 1.00 0.00 C ATOM 370 CG GLU A 27 1.599 -14.981 -5.588 1.00 0.00 C ATOM 371 CD GLU A 27 0.794 -15.025 -4.304 1.00 0.00 C ATOM 372 OE1 GLU A 27 0.431 -13.945 -3.794 1.00 0.00 O1- ATOM 373 OE2 GLU A 27 0.527 -16.140 -3.809 1.00 0.00 O ATOM 0 H GLU A 27 0.350 -13.293 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 27 2.153 -15.258 -8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.188 -13.168 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.183 -14.251 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.796 -15.999 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.566 -14.517 -5.391 1.00 0.00 H new ATOM 380 N GLY A 28 -1.140 -15.343 -8.439 1.00 0.00 N ATOM 381 CA GLY A 28 -2.236 -16.223 -8.802 1.00 0.00 C ATOM 382 C GLY A 28 -3.568 -15.746 -8.258 1.00 0.00 C ATOM 383 O GLY A 28 -4.356 -16.540 -7.744 1.00 0.00 O ATOM 0 H GLY A 28 -1.421 -14.408 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.296 -16.295 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.032 -17.226 -8.427 1.00 0.00 H new ATOM 387 N LEU A 29 -3.820 -14.446 -8.371 1.00 0.00 N ATOM 388 CA LEU A 29 -5.066 -13.865 -7.885 1.00 0.00 C ATOM 389 C LEU A 29 -5.991 -13.514 -9.046 1.00 0.00 C ATOM 390 O LEU A 29 -5.568 -13.478 -10.202 1.00 0.00 O ATOM 391 CB LEU A 29 -4.779 -12.615 -7.051 1.00 0.00 C ATOM 392 CG LEU A 29 -4.405 -12.882 -5.593 1.00 0.00 C ATOM 393 CD1 LEU A 29 -5.487 -13.699 -4.905 1.00 0.00 C ATOM 394 CD2 LEU A 29 -3.063 -13.593 -5.510 1.00 0.00 C ATOM 0 H LEU A 29 -3.179 -13.776 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.563 -14.605 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.968 -12.060 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.659 -11.972 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.320 -11.925 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.203 -13.879 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.429 -13.152 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.605 -14.653 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.812 -13.775 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.121 -14.543 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.293 -12.970 -5.965 1.00 0.00 H new ATOM 406 N HIS A 30 -7.256 -13.255 -8.731 1.00 0.00 N ATOM 407 CA HIS A 30 -8.241 -12.907 -9.748 1.00 0.00 C ATOM 408 C HIS A 30 -9.030 -11.667 -9.340 1.00 0.00 C ATOM 409 O HIS A 30 -9.142 -11.352 -8.155 1.00 0.00 O ATOM 410 CB HIS A 30 -9.197 -14.078 -9.984 1.00 0.00 C ATOM 411 CG HIS A 30 -10.067 -13.907 -11.191 1.00 0.00 C ATOM 412 ND1 HIS A 30 -11.426 -13.685 -11.114 1.00 0.00 N ATOM 413 CD2 HIS A 30 -9.765 -13.924 -12.511 1.00 0.00 C ATOM 414 CE1 HIS A 30 -11.922 -13.575 -12.334 1.00 0.00 C ATOM 415 NE2 HIS A 30 -10.934 -13.716 -13.199 1.00 0.00 N ATOM 0 H HIS A 30 -7.623 -13.280 -7.780 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.708 -12.689 -10.674 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.616 -14.994 -10.092 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.830 -14.203 -9.105 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.786 -14.073 -12.942 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.959 -13.400 -12.581 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.025 -13.677 -14.214 1.00 0.00 H new ATOM 424 N LEU A 31 -9.574 -10.966 -10.329 1.00 0.00 N ATOM 425 CA LEU A 31 -10.352 -9.759 -10.073 1.00 0.00 C ATOM 426 C LEU A 31 -11.673 -9.792 -10.834 1.00 0.00 C ATOM 427 O LEU A 31 -11.897 -10.666 -11.672 1.00 0.00 O ATOM 428 CB LEU A 31 -9.552 -8.517 -10.471 1.00 0.00 C ATOM 429 CG LEU A 31 -8.630 -7.965 -9.383 1.00 0.00 C ATOM 430 CD1 LEU A 31 -9.425 -7.624 -8.132 1.00 0.00 C ATOM 431 CD2 LEU A 31 -7.528 -8.963 -9.062 1.00 0.00 C ATOM 0 H LEU A 31 -9.491 -11.213 -11.315 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.569 -9.716 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.951 -8.756 -11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.250 -7.733 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.167 -7.051 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.752 -7.233 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.177 -6.873 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.916 -8.522 -7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.881 -8.554 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.972 -9.895 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.940 -9.157 -9.959 1.00 0.00 H new ATOM 443 N GLU A 32 -12.546 -8.835 -10.536 1.00 0.00 N ATOM 444 CA GLU A 32 -13.846 -8.754 -11.192 1.00 0.00 C ATOM 445 C GLU A 32 -13.901 -7.566 -12.147 1.00 0.00 C ATOM 446 O GLU A 32 -14.459 -7.661 -13.240 1.00 0.00 O ATOM 447 CB GLU A 32 -14.960 -8.638 -10.150 1.00 0.00 C ATOM 448 CG GLU A 32 -14.834 -7.412 -9.259 1.00 0.00 C ATOM 449 CD GLU A 32 -15.871 -7.387 -8.153 1.00 0.00 C ATOM 450 OE1 GLU A 32 -16.065 -8.431 -7.497 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -16.489 -6.322 -7.944 1.00 0.00 O ATOM 0 H GLU A 32 -12.377 -8.105 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.991 -9.667 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.922 -8.608 -10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.958 -9.532 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.837 -7.388 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.935 -6.513 -9.867 1.00 0.00 H new ATOM 458 N ASP A 33 -13.318 -6.448 -11.726 1.00 0.00 N ATOM 459 CA ASP A 33 -13.301 -5.241 -12.544 1.00 0.00 C ATOM 460 C ASP A 33 -11.894 -4.658 -12.625 1.00 0.00 C ATOM 461 O ASP A 33 -10.947 -5.217 -12.070 1.00 0.00 O ATOM 462 CB ASP A 33 -14.265 -4.199 -11.973 1.00 0.00 C ATOM 463 CG ASP A 33 -15.717 -4.587 -12.168 1.00 0.00 C ATOM 464 OD1 ASP A 33 -15.992 -5.794 -12.331 1.00 0.00 O ATOM 465 OD2 ASP A 33 -16.580 -3.684 -12.156 1.00 0.00 O1- ATOM 0 H ASP A 33 -12.852 -6.353 -10.824 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.622 -5.510 -13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.066 -4.069 -10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.081 -3.237 -12.452 1.00 0.00 H new ATOM 470 N ASP A 34 -11.764 -3.532 -13.318 1.00 0.00 N ATOM 471 CA ASP A 34 -10.472 -2.874 -13.472 1.00 0.00 C ATOM 472 C ASP A 34 -9.996 -2.293 -12.144 1.00 0.00 C ATOM 473 O ASP A 34 -8.856 -2.508 -11.734 1.00 0.00 O ATOM 474 CB ASP A 34 -10.562 -1.766 -14.523 1.00 0.00 C ATOM 475 CG ASP A 34 -11.736 -0.837 -14.286 1.00 0.00 C ATOM 476 OD1 ASP A 34 -12.872 -1.339 -14.154 1.00 0.00 O ATOM 477 OD2 ASP A 34 -11.519 0.391 -14.231 1.00 0.00 O1- ATOM 0 H ASP A 34 -12.538 -3.056 -13.782 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.749 -3.620 -13.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.638 -1.188 -14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.651 -2.214 -15.513 1.00 0.00 H new ATOM 482 N GLN A 35 -10.878 -1.556 -11.477 1.00 0.00 N ATOM 483 CA GLN A 35 -10.548 -0.944 -10.195 1.00 0.00 C ATOM 484 C GLN A 35 -10.304 -2.009 -9.130 1.00 0.00 C ATOM 485 O GLN A 35 -10.861 -3.105 -9.195 1.00 0.00 O ATOM 486 CB GLN A 35 -11.673 -0.008 -9.748 1.00 0.00 C ATOM 487 CG GLN A 35 -11.506 1.421 -10.237 1.00 0.00 C ATOM 488 CD GLN A 35 -11.743 1.558 -11.728 1.00 0.00 C ATOM 489 OE1 GLN A 35 -12.795 1.176 -12.239 1.00 0.00 O ATOM 490 NE2 GLN A 35 -10.761 2.106 -12.435 1.00 0.00 N ATOM 0 H GLN A 35 -11.826 -1.368 -11.803 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.633 -0.366 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.624 -0.398 -10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.722 -0.007 -8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.201 2.068 -9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.500 1.767 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.905 2.409 -11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.863 2.224 -13.443 1.00 0.00 H new ATOM 499 N GLU A 36 -9.468 -1.679 -8.151 1.00 0.00 N ATOM 500 CA GLU A 36 -9.150 -2.607 -7.073 1.00 0.00 C ATOM 501 C GLU A 36 -9.903 -2.238 -5.796 1.00 0.00 C ATOM 502 O GLU A 36 -10.127 -1.060 -5.518 1.00 0.00 O ATOM 503 CB GLU A 36 -7.644 -2.614 -6.806 1.00 0.00 C ATOM 504 CG GLU A 36 -6.857 -3.477 -7.779 1.00 0.00 C ATOM 505 CD GLU A 36 -7.377 -4.899 -7.850 1.00 0.00 C ATOM 506 OE1 GLU A 36 -8.355 -5.137 -8.590 1.00 0.00 O ATOM 507 OE2 GLU A 36 -6.807 -5.775 -7.166 1.00 0.00 O1- ATOM 0 H GLU A 36 -8.999 -0.776 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.462 -3.604 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.270 -1.591 -6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.465 -2.970 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.899 -3.029 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.809 -3.492 -7.480 1.00 0.00 H new ATOM 514 N PRO A 37 -10.305 -3.244 -5.000 1.00 0.00 N ATOM 515 CA PRO A 37 -11.035 -3.016 -3.749 1.00 0.00 C ATOM 516 C PRO A 37 -10.144 -2.424 -2.661 1.00 0.00 C ATOM 517 O PRO A 37 -9.027 -1.983 -2.932 1.00 0.00 O ATOM 518 CB PRO A 37 -11.505 -4.416 -3.353 1.00 0.00 C ATOM 519 CG PRO A 37 -10.512 -5.336 -3.972 1.00 0.00 C ATOM 520 CD PRO A 37 -10.080 -4.680 -5.255 1.00 0.00 C ATOM 0 HA PRO A 37 -11.847 -2.300 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.532 -4.533 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.512 -4.615 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.661 -5.494 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.953 -6.314 -4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.034 -4.889 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.666 -5.034 -6.104 1.00 0.00 H new ATOM 528 N ARG A 38 -10.646 -2.417 -1.430 1.00 0.00 N ATOM 529 CA ARG A 38 -9.893 -1.879 -0.303 1.00 0.00 C ATOM 530 C ARG A 38 -10.551 -2.253 1.021 1.00 0.00 C ATOM 531 O ARG A 38 -11.773 -2.377 1.106 1.00 0.00 O ATOM 532 CB ARG A 38 -9.782 -0.357 -0.419 1.00 0.00 C ATOM 533 CG ARG A 38 -11.125 0.344 -0.532 1.00 0.00 C ATOM 534 CD ARG A 38 -11.768 0.541 0.831 1.00 0.00 C ATOM 535 NE ARG A 38 -12.453 1.828 0.933 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.956 2.312 2.067 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.854 1.620 3.195 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.563 3.491 2.072 1.00 0.00 N ATOM 0 H ARG A 38 -11.569 -2.777 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.894 -2.313 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.253 0.028 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.178 -0.111 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.992 1.312 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.790 -0.241 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.479 -0.264 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.004 0.475 1.605 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.552 2.388 0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.388 0.712 3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.241 1.996 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.644 4.026 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.949 3.862 2.940 1.00 0.00 H new ATOM 552 N GLU A 39 -9.732 -2.430 2.053 1.00 0.00 N ATOM 553 CA GLU A 39 -10.233 -2.789 3.375 1.00 0.00 C ATOM 554 C GLU A 39 -9.604 -1.910 4.450 1.00 0.00 C ATOM 555 O GLU A 39 -8.686 -1.136 4.175 1.00 0.00 O ATOM 556 CB GLU A 39 -9.945 -4.262 3.670 1.00 0.00 C ATOM 557 CG GLU A 39 -11.046 -5.202 3.208 1.00 0.00 C ATOM 558 CD GLU A 39 -12.056 -5.497 4.299 1.00 0.00 C ATOM 559 OE1 GLU A 39 -13.046 -4.744 4.411 1.00 0.00 O ATOM 560 OE2 GLU A 39 -11.858 -6.482 5.041 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.718 -2.331 1.999 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.311 -2.629 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.010 -4.545 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.799 -4.387 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.559 -4.762 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.601 -6.137 2.867 1.00 0.00 H new ATOM 567 N HIS A 40 -10.103 -2.032 5.676 1.00 0.00 N ATOM 568 CA HIS A 40 -9.588 -1.247 6.792 1.00 0.00 C ATOM 569 C HIS A 40 -8.485 -2.006 7.529 1.00 0.00 C ATOM 570 O HIS A 40 -8.586 -3.215 7.735 1.00 0.00 O ATOM 571 CB HIS A 40 -10.718 -0.898 7.762 1.00 0.00 C ATOM 572 CG HIS A 40 -11.471 -2.093 8.258 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.568 -2.617 7.607 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.279 -2.871 9.351 1.00 0.00 C ATOM 575 CE1 HIS A 40 -13.018 -3.662 8.277 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.253 -3.838 9.338 1.00 0.00 N ATOM 0 H HIS A 40 -10.863 -2.667 5.922 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.165 -0.326 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.301 -0.362 8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.414 -0.220 7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.504 -2.752 10.094 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.868 -4.270 8.003 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.367 -4.574 10.035 1.00 0.00 H new ATOM 585 N PRO A 41 -7.413 -1.304 7.938 1.00 0.00 N ATOM 586 CA PRO A 41 -6.293 -1.921 8.654 1.00 0.00 C ATOM 587 C PRO A 41 -6.629 -2.217 10.111 1.00 0.00 C ATOM 588 O PRO A 41 -7.715 -1.889 10.588 1.00 0.00 O ATOM 589 CB PRO A 41 -5.197 -0.861 8.563 1.00 0.00 C ATOM 590 CG PRO A 41 -5.932 0.432 8.485 1.00 0.00 C ATOM 591 CD PRO A 41 -7.207 0.145 7.735 1.00 0.00 C ATOM 0 HA PRO A 41 -6.014 -2.884 8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.541 -0.893 9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.569 -1.014 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.145 0.820 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.338 1.187 7.969 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.042 0.727 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.114 0.392 6.677 1.00 0.00 H new ATOM 599 N ILE A 42 -5.688 -2.840 10.815 1.00 0.00 N ATOM 600 CA ILE A 42 -5.883 -3.180 12.219 1.00 0.00 C ATOM 601 C ILE A 42 -4.890 -2.437 13.107 1.00 0.00 C ATOM 602 O ILE A 42 -3.844 -1.984 12.642 1.00 0.00 O ATOM 603 CB ILE A 42 -5.737 -4.698 12.452 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.080 -5.052 13.900 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.328 -5.157 12.108 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.171 -6.541 14.151 1.00 0.00 C ATOM 0 H ILE A 42 -4.783 -3.119 10.435 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.896 -2.876 12.484 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.436 -5.217 11.796 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.324 -4.626 14.559 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.030 -4.588 14.164 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.243 -6.230 12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.120 -4.938 11.061 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.610 -4.632 12.738 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.417 -6.719 15.198 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.947 -6.970 13.518 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.214 -7.008 13.919 1.00 0.00 H new ATOM 618 N MET A 43 -5.224 -2.314 14.388 1.00 0.00 N ATOM 619 CA MET A 43 -4.361 -1.626 15.341 1.00 0.00 C ATOM 620 C MET A 43 -2.994 -2.298 15.422 1.00 0.00 C ATOM 621 O MET A 43 -2.761 -3.331 14.794 1.00 0.00 O ATOM 622 CB MET A 43 -5.013 -1.602 16.725 1.00 0.00 C ATOM 623 CG MET A 43 -5.368 -2.983 17.252 1.00 0.00 C ATOM 624 SD MET A 43 -6.928 -3.001 18.157 1.00 0.00 S ATOM 625 CE MET A 43 -7.611 -4.567 17.620 1.00 0.00 C ATOM 0 H MET A 43 -6.086 -2.682 14.790 1.00 0.00 H new ATOM 0 HA MET A 43 -4.222 -0.602 14.994 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.336 -1.116 17.428 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.917 -0.995 16.681 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.428 -3.682 16.418 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.569 -3.335 17.905 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.580 -4.723 18.095 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.735 -4.558 16.537 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.935 -5.374 17.901 1.00 0.00 H new ATOM 635 N GLY A 44 -2.094 -1.706 16.200 1.00 0.00 N ATOM 636 CA GLY A 44 -0.762 -2.263 16.349 1.00 0.00 C ATOM 637 C GLY A 44 0.263 -1.218 16.747 1.00 0.00 C ATOM 638 O GLY A 44 0.154 -0.605 17.809 1.00 0.00 O ATOM 0 H GLY A 44 -2.263 -0.851 16.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.783 -3.051 17.101 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.458 -2.726 15.410 1.00 0.00 H new ATOM 642 N GLY A 45 1.261 -1.016 15.893 1.00 0.00 N ATOM 643 CA GLY A 45 2.295 -0.038 16.179 1.00 0.00 C ATOM 644 C GLY A 45 3.445 -0.104 15.194 1.00 0.00 C ATOM 645 O GLY A 45 3.373 -0.814 14.191 1.00 0.00 O ATOM 0 H GLY A 45 1.372 -1.512 15.008 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.861 0.962 16.159 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.675 -0.200 17.188 1.00 0.00 H new ATOM 649 N ILE A 46 4.510 0.638 15.480 1.00 0.00 N ATOM 650 CA ILE A 46 5.682 0.662 14.611 1.00 0.00 C ATOM 651 C ILE A 46 6.438 -0.665 14.653 1.00 0.00 C ATOM 652 O ILE A 46 7.328 -0.905 13.837 1.00 0.00 O ATOM 653 CB ILE A 46 6.646 1.800 15.001 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.891 3.126 15.104 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.778 1.908 13.989 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.306 3.592 13.789 1.00 0.00 C ATOM 0 H ILE A 46 4.586 1.231 16.307 1.00 0.00 H new ATOM 0 HA ILE A 46 5.316 0.832 13.599 1.00 0.00 H new ATOM 0 HB ILE A 46 7.076 1.571 15.976 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.088 3.022 15.833 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.568 3.892 15.483 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.449 2.716 14.279 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.331 0.969 13.960 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.365 2.116 13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.785 4.538 13.937 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.107 3.729 13.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.604 2.845 13.418 1.00 0.00 H new ATOM 668 N TYR A 47 6.082 -1.524 15.604 1.00 0.00 N ATOM 669 CA TYR A 47 6.733 -2.821 15.741 1.00 0.00 C ATOM 670 C TYR A 47 5.788 -3.950 15.344 1.00 0.00 C ATOM 671 O TYR A 47 6.222 -4.997 14.864 1.00 0.00 O ATOM 672 CB TYR A 47 7.215 -3.025 17.178 1.00 0.00 C ATOM 673 CG TYR A 47 8.504 -3.808 17.280 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.678 -3.326 16.715 1.00 0.00 C ATOM 675 CD2 TYR A 47 8.548 -5.029 17.942 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.859 -4.039 16.805 1.00 0.00 C ATOM 677 CE2 TYR A 47 9.724 -5.747 18.037 1.00 0.00 C ATOM 678 CZ TYR A 47 10.876 -5.248 17.468 1.00 0.00 C ATOM 679 OH TYR A 47 12.050 -5.961 17.560 1.00 0.00 O ATOM 0 H TYR A 47 5.348 -1.345 16.289 1.00 0.00 H new ATOM 0 HA TYR A 47 7.593 -2.839 15.071 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.354 -2.051 17.647 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.440 -3.543 17.742 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.668 -2.378 16.197 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.648 -5.423 18.390 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.763 -3.651 16.359 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.741 -6.695 18.555 1.00 0.00 H new ATOM 0 HH TYR A 47 11.891 -6.789 18.059 1.00 0.00 H new ATOM 689 N ASP A 48 4.492 -3.730 15.546 1.00 0.00 N ATOM 690 CA ASP A 48 3.486 -4.730 15.209 1.00 0.00 C ATOM 691 C ASP A 48 3.547 -5.086 13.727 1.00 0.00 C ATOM 692 O ASP A 48 3.856 -4.241 12.887 1.00 0.00 O ATOM 693 CB ASP A 48 2.089 -4.219 15.565 1.00 0.00 C ATOM 694 CG ASP A 48 2.025 -3.637 16.964 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.788 -2.691 17.249 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 1.211 -4.128 17.774 1.00 0.00 O ATOM 0 H ASP A 48 4.115 -2.869 15.941 1.00 0.00 H new ATOM 0 HA ASP A 48 3.695 -5.629 15.789 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.789 -3.459 14.844 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.374 -5.037 15.482 1.00 0.00 H new ATOM 701 N ALA A 49 3.250 -6.342 13.414 1.00 0.00 N ATOM 702 CA ALA A 49 3.271 -6.812 12.034 1.00 0.00 C ATOM 703 C ALA A 49 2.548 -8.151 11.897 1.00 0.00 C ATOM 704 O ALA A 49 3.097 -9.110 11.355 1.00 0.00 O ATOM 705 CB ALA A 49 4.705 -6.930 11.541 1.00 0.00 C ATOM 0 H ALA A 49 2.992 -7.054 14.098 1.00 0.00 H new ATOM 0 HA ALA A 49 2.745 -6.082 11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.707 -7.282 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.189 -5.955 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.248 -7.638 12.167 1.00 0.00 H new ATOM 711 N PRO A 50 1.299 -8.234 12.388 1.00 0.00 N ATOM 712 CA PRO A 50 0.505 -9.463 12.316 1.00 0.00 C ATOM 713 C PRO A 50 -0.037 -9.719 10.916 1.00 0.00 C ATOM 714 O PRO A 50 -0.058 -10.855 10.443 1.00 0.00 O ATOM 715 CB PRO A 50 -0.639 -9.196 13.293 1.00 0.00 C ATOM 716 CG PRO A 50 -0.810 -7.716 13.274 1.00 0.00 C ATOM 717 CD PRO A 50 0.564 -7.139 13.051 1.00 0.00 C ATOM 0 HA PRO A 50 1.094 -10.348 12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.552 -9.705 12.983 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.398 -9.555 14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.493 -7.413 12.481 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.234 -7.361 14.213 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.527 -6.246 12.427 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.035 -6.852 13.991 1.00 0.00 H new ATOM 725 N LEU A 51 -0.473 -8.652 10.260 1.00 0.00 N ATOM 726 CA LEU A 51 -1.018 -8.748 8.910 1.00 0.00 C ATOM 727 C LEU A 51 -2.157 -9.763 8.851 1.00 0.00 C ATOM 728 O LEU A 51 -2.083 -10.757 8.128 1.00 0.00 O ATOM 729 CB LEU A 51 0.085 -9.132 7.920 1.00 0.00 C ATOM 730 CG LEU A 51 0.020 -8.417 6.569 1.00 0.00 C ATOM 731 CD1 LEU A 51 1.350 -8.527 5.842 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.105 -8.988 5.718 1.00 0.00 C ATOM 0 H LEU A 51 -0.460 -7.706 10.641 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.418 -7.772 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.052 -8.924 8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.039 -10.207 7.747 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.186 -7.362 6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.284 -8.013 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.134 -8.070 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.587 -9.578 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.137 -8.468 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.930 -10.050 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.055 -8.855 6.235 1.00 0.00 H new ATOM 744 N ASN A 52 -3.212 -9.505 9.618 1.00 0.00 N ATOM 745 CA ASN A 52 -4.368 -10.394 9.655 1.00 0.00 C ATOM 746 C ASN A 52 -4.952 -10.593 8.260 1.00 0.00 C ATOM 747 O ASN A 52 -5.541 -11.633 7.965 1.00 0.00 O ATOM 748 CB ASN A 52 -5.439 -9.831 10.592 1.00 0.00 C ATOM 749 CG ASN A 52 -5.274 -10.320 12.018 1.00 0.00 C ATOM 750 OD1 ASN A 52 -5.699 -11.423 12.361 1.00 0.00 O ATOM 751 ND2 ASN A 52 -4.656 -9.498 12.857 1.00 0.00 N ATOM 0 H ASN A 52 -3.290 -8.687 10.222 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.036 -11.362 10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.395 -8.742 10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.425 -10.116 10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.517 -9.772 13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.320 -8.593 12.529 1.00 0.00 H new ATOM 758 N ASN A 53 -4.784 -9.590 7.404 1.00 0.00 N ATOM 759 CA ASN A 53 -5.294 -9.657 6.039 1.00 0.00 C ATOM 760 C ASN A 53 -4.217 -10.153 5.079 1.00 0.00 C ATOM 761 O ASN A 53 -4.028 -9.595 3.998 1.00 0.00 O ATOM 762 CB ASN A 53 -5.801 -8.286 5.593 1.00 0.00 C ATOM 763 CG ASN A 53 -6.638 -7.600 6.656 1.00 0.00 C ATOM 764 OD1 ASN A 53 -6.432 -6.426 6.962 1.00 0.00 O ATOM 765 ND2 ASN A 53 -7.587 -8.333 7.226 1.00 0.00 N ATOM 0 H ASN A 53 -4.299 -8.722 7.631 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.123 -10.365 6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.951 -7.653 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.394 -8.400 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.181 -7.926 7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.723 -9.303 6.941 1.00 0.00 H new ATOM 772 N GLU A 54 -3.514 -11.207 5.481 1.00 0.00 N ATOM 773 CA GLU A 54 -2.455 -11.780 4.657 1.00 0.00 C ATOM 774 C GLU A 54 -2.978 -12.941 3.814 1.00 0.00 C ATOM 775 O GLU A 54 -2.199 -13.745 3.301 1.00 0.00 O ATOM 776 CB GLU A 54 -1.297 -12.256 5.537 1.00 0.00 C ATOM 777 CG GLU A 54 -0.093 -12.742 4.747 1.00 0.00 C ATOM 778 CD GLU A 54 1.193 -12.680 5.548 1.00 0.00 C ATOM 779 OE1 GLU A 54 1.323 -11.767 6.390 1.00 0.00 O ATOM 780 OE2 GLU A 54 2.069 -13.543 5.332 1.00 0.00 O1- ATOM 0 H GLU A 54 -3.658 -11.682 6.372 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.098 -11.002 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.988 -11.439 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.648 -13.062 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.266 -13.768 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.014 -12.137 3.847 1.00 0.00 H new ATOM 787 N ASN A 55 -4.298 -13.026 3.671 1.00 0.00 N ATOM 788 CA ASN A 55 -4.914 -14.092 2.889 1.00 0.00 C ATOM 789 C ASN A 55 -4.406 -14.074 1.450 1.00 0.00 C ATOM 790 O ASN A 55 -4.338 -15.113 0.793 1.00 0.00 O ATOM 791 CB ASN A 55 -6.437 -13.951 2.906 1.00 0.00 C ATOM 792 CG ASN A 55 -6.992 -13.849 4.313 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.116 -14.850 5.018 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.331 -12.634 4.729 1.00 0.00 N ATOM 0 H ASN A 55 -4.960 -12.370 4.086 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.639 -15.045 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.723 -13.065 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.884 -14.808 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.711 -12.504 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.211 -11.831 4.111 1.00 0.00 H new ATOM 801 N GLY A 56 -4.050 -12.888 0.968 1.00 0.00 N ATOM 802 CA GLY A 56 -3.552 -12.757 -0.388 1.00 0.00 C ATOM 803 C GLY A 56 -4.294 -11.699 -1.181 1.00 0.00 C ATOM 804 O GLY A 56 -3.682 -10.791 -1.743 1.00 0.00 O ATOM 0 H GLY A 56 -4.098 -12.015 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.491 -12.507 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.640 -13.716 -0.898 1.00 0.00 H new ATOM 808 N PHE A 57 -5.617 -11.816 -1.226 1.00 0.00 N ATOM 809 CA PHE A 57 -6.443 -10.861 -1.955 1.00 0.00 C ATOM 810 C PHE A 57 -6.376 -9.482 -1.308 1.00 0.00 C ATOM 811 O PHE A 57 -6.312 -8.464 -1.997 1.00 0.00 O ATOM 812 CB PHE A 57 -7.894 -11.344 -2.005 1.00 0.00 C ATOM 813 CG PHE A 57 -8.111 -12.493 -2.948 1.00 0.00 C ATOM 814 CD1 PHE A 57 -7.678 -13.767 -2.619 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.749 -12.298 -4.163 1.00 0.00 C ATOM 816 CE1 PHE A 57 -7.877 -14.826 -3.485 1.00 0.00 C ATOM 817 CE2 PHE A 57 -8.951 -13.353 -5.032 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.515 -14.619 -4.693 1.00 0.00 C ATOM 0 H PHE A 57 -6.140 -12.562 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.058 -10.785 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.204 -11.643 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.535 -10.514 -2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.180 -13.935 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.092 -11.310 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.534 -15.815 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.449 -13.188 -5.976 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.672 -15.445 -5.371 1.00 0.00 H new ATOM 828 N ASP A 58 -6.390 -9.457 0.021 1.00 0.00 N ATOM 829 CA ASP A 58 -6.330 -8.203 0.763 1.00 0.00 C ATOM 830 C ASP A 58 -4.944 -7.575 0.661 1.00 0.00 C ATOM 831 O ASP A 58 -4.810 -6.391 0.352 1.00 0.00 O ATOM 832 CB ASP A 58 -6.689 -8.438 2.231 1.00 0.00 C ATOM 833 CG ASP A 58 -8.185 -8.394 2.475 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.941 -8.894 1.616 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -8.600 -7.859 3.524 1.00 0.00 O ATOM 0 H ASP A 58 -6.442 -10.291 0.606 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.053 -7.516 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.301 -9.406 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.201 -7.683 2.847 1.00 0.00 H new ATOM 840 N LYS A 59 -3.915 -8.375 0.921 1.00 0.00 N ATOM 841 CA LYS A 59 -2.539 -7.895 0.857 1.00 0.00 C ATOM 842 C LYS A 59 -2.209 -7.378 -0.541 1.00 0.00 C ATOM 843 O LYS A 59 -1.574 -6.335 -0.695 1.00 0.00 O ATOM 844 CB LYS A 59 -1.566 -9.011 1.254 1.00 0.00 C ATOM 845 CG LYS A 59 -1.372 -10.073 0.182 1.00 0.00 C ATOM 846 CD LYS A 59 -0.335 -11.103 0.600 1.00 0.00 C ATOM 847 CE LYS A 59 1.007 -10.846 -0.066 1.00 0.00 C ATOM 848 NZ LYS A 59 2.109 -11.597 0.595 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.008 -9.358 1.178 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.433 -7.070 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.599 -8.568 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.929 -9.489 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.322 -10.570 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.061 -9.599 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.215 -11.081 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.687 -12.101 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.952 -11.133 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.227 -9.779 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.009 -11.381 0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.168 -11.318 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.921 -12.618 0.531 1.00 0.00 H new ATOM 862 N GLU A 60 -2.647 -8.117 -1.555 1.00 0.00 N ATOM 863 CA GLU A 60 -2.400 -7.737 -2.940 1.00 0.00 C ATOM 864 C GLU A 60 -3.158 -6.463 -3.298 1.00 0.00 C ATOM 865 O GLU A 60 -2.589 -5.528 -3.861 1.00 0.00 O ATOM 866 CB GLU A 60 -2.809 -8.870 -3.883 1.00 0.00 C ATOM 867 CG GLU A 60 -1.726 -9.918 -4.080 1.00 0.00 C ATOM 868 CD GLU A 60 -1.625 -10.389 -5.517 1.00 0.00 C ATOM 869 OE1 GLU A 60 -1.937 -9.592 -6.427 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -1.235 -11.556 -5.734 1.00 0.00 O ATOM 0 H GLU A 60 -3.175 -8.983 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.333 -7.547 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.704 -9.353 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.074 -8.447 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.766 -9.506 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.931 -10.772 -3.435 1.00 0.00 H new ATOM 877 N ASP A 61 -4.445 -6.432 -2.966 1.00 0.00 N ATOM 878 CA ASP A 61 -5.280 -5.271 -3.252 1.00 0.00 C ATOM 879 C ASP A 61 -4.710 -4.019 -2.596 1.00 0.00 C ATOM 880 O ASP A 61 -4.697 -2.943 -3.194 1.00 0.00 O ATOM 881 CB ASP A 61 -6.710 -5.512 -2.764 1.00 0.00 C ATOM 882 CG ASP A 61 -7.440 -6.545 -3.600 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.138 -6.652 -4.807 1.00 0.00 O ATOM 884 OD2 ASP A 61 -8.313 -7.246 -3.048 1.00 0.00 O1- ATOM 0 H ASP A 61 -4.932 -7.197 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.294 -5.120 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.686 -5.841 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.262 -4.573 -2.788 1.00 0.00 H new ATOM 889 N LEU A 62 -4.235 -4.167 -1.363 1.00 0.00 N ATOM 890 CA LEU A 62 -3.660 -3.050 -0.625 1.00 0.00 C ATOM 891 C LEU A 62 -2.379 -2.560 -1.295 1.00 0.00 C ATOM 892 O LEU A 62 -2.237 -1.375 -1.593 1.00 0.00 O ATOM 893 CB LEU A 62 -3.372 -3.462 0.821 1.00 0.00 C ATOM 894 CG LEU A 62 -2.610 -2.430 1.660 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.138 -1.026 1.404 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.710 -2.776 3.137 1.00 0.00 C ATOM 0 H LEU A 62 -4.238 -5.051 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.382 -2.234 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.319 -3.678 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.800 -4.390 0.809 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.561 -2.455 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.581 -0.312 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.017 -0.778 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.195 -0.981 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.165 -2.035 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.757 -2.778 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.280 -3.763 3.309 1.00 0.00 H new ATOM 908 N ALA A 63 -1.450 -3.482 -1.530 1.00 0.00 N ATOM 909 CA ALA A 63 -0.181 -3.146 -2.166 1.00 0.00 C ATOM 910 C ALA A 63 -0.404 -2.457 -3.509 1.00 0.00 C ATOM 911 O ALA A 63 0.107 -1.363 -3.749 1.00 0.00 O ATOM 912 CB ALA A 63 0.666 -4.397 -2.346 1.00 0.00 C ATOM 0 H ALA A 63 -1.553 -4.468 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 63 0.350 -2.451 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.610 -4.132 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.864 -4.846 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.132 -5.111 -2.973 1.00 0.00 H new ATOM 918 N ARG A 64 -1.171 -3.104 -4.380 1.00 0.00 N ATOM 919 CA ARG A 64 -1.463 -2.553 -5.698 1.00 0.00 C ATOM 920 C ARG A 64 -2.187 -1.216 -5.578 1.00 0.00 C ATOM 921 O ARG A 64 -1.952 -0.298 -6.364 1.00 0.00 O ATOM 922 CB ARG A 64 -2.312 -3.534 -6.508 1.00 0.00 C ATOM 923 CG ARG A 64 -2.102 -3.426 -8.009 1.00 0.00 C ATOM 924 CD ARG A 64 -2.475 -2.046 -8.526 1.00 0.00 C ATOM 925 NE ARG A 64 -3.080 -2.103 -9.855 1.00 0.00 N ATOM 926 CZ ARG A 64 -2.421 -2.466 -10.953 1.00 0.00 C ATOM 927 NH1 ARG A 64 -1.139 -2.803 -10.887 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.047 -2.492 -12.122 1.00 0.00 N ATOM 0 H ARG A 64 -1.602 -4.010 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.517 -2.390 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.081 -4.550 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.365 -3.362 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.059 -3.635 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.703 -4.181 -8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.170 -1.575 -7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.584 -1.419 -8.560 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.064 -1.850 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.652 -2.785 -9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.640 -3.080 -11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.032 -2.234 -12.179 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.543 -2.770 -12.964 1.00 0.00 H new ATOM 942 N PHE A 65 -3.068 -1.114 -4.587 1.00 0.00 N ATOM 943 CA PHE A 65 -3.827 0.110 -4.360 1.00 0.00 C ATOM 944 C PHE A 65 -2.894 1.293 -4.123 1.00 0.00 C ATOM 945 O PHE A 65 -2.915 2.271 -4.869 1.00 0.00 O ATOM 946 CB PHE A 65 -4.767 -0.065 -3.164 1.00 0.00 C ATOM 947 CG PHE A 65 -5.556 1.169 -2.831 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.417 1.730 -3.761 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.437 1.768 -1.587 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.144 2.865 -3.457 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.161 2.904 -1.277 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.016 3.453 -2.213 1.00 0.00 C ATOM 0 H PHE A 65 -3.273 -1.865 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.419 0.314 -5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.458 -0.882 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.181 -0.357 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.521 1.275 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.771 1.342 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.812 3.292 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.058 3.362 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.583 4.340 -1.973 1.00 0.00 H new ATOM 962 N ALA A 66 -2.075 1.197 -3.080 1.00 0.00 N ATOM 963 CA ALA A 66 -1.133 2.260 -2.746 1.00 0.00 C ATOM 964 C ALA A 66 -0.189 2.543 -3.910 1.00 0.00 C ATOM 965 O ALA A 66 -0.062 3.685 -4.359 1.00 0.00 O ATOM 966 CB ALA A 66 -0.342 1.891 -1.499 1.00 0.00 C ATOM 0 H ALA A 66 -2.045 0.394 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.703 3.168 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.357 2.693 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.027 1.747 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.211 0.969 -1.678 1.00 0.00 H new ATOM 972 N VAL A 67 0.471 1.496 -4.398 1.00 0.00 N ATOM 973 CA VAL A 67 1.404 1.632 -5.511 1.00 0.00 C ATOM 974 C VAL A 67 0.756 2.367 -6.680 1.00 0.00 C ATOM 975 O VAL A 67 1.307 3.338 -7.198 1.00 0.00 O ATOM 976 CB VAL A 67 1.905 0.257 -5.996 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.927 0.420 -7.111 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.492 -0.539 -4.839 1.00 0.00 C ATOM 0 H VAL A 67 0.377 0.545 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 67 2.253 2.210 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 67 1.054 -0.296 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.268 -0.562 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.470 0.944 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.777 0.995 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.840 -1.506 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.330 0.009 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.727 -0.691 -4.077 1.00 0.00 H new ATOM 988 N ARG A 68 -0.419 1.900 -7.086 1.00 0.00 N ATOM 989 CA ARG A 68 -1.145 2.514 -8.189 1.00 0.00 C ATOM 990 C ARG A 68 -1.623 3.913 -7.810 1.00 0.00 C ATOM 991 O ARG A 68 -1.761 4.785 -8.666 1.00 0.00 O ATOM 992 CB ARG A 68 -2.336 1.640 -8.590 1.00 0.00 C ATOM 993 CG ARG A 68 -3.211 2.254 -9.671 1.00 0.00 C ATOM 994 CD ARG A 68 -4.004 1.193 -10.416 1.00 0.00 C ATOM 995 NE ARG A 68 -3.375 0.829 -11.684 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.010 0.210 -12.676 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.291 -0.116 -12.552 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.363 -0.084 -13.795 1.00 0.00 N ATOM 0 H ARG A 68 -0.889 1.097 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.468 2.601 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.966 0.676 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.946 1.447 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.896 2.973 -9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.588 2.805 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.099 0.305 -9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.013 1.560 -10.604 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.391 1.063 -11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.793 0.108 -11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.773 -0.590 -13.316 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.379 0.164 -13.895 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.849 -0.559 -14.556 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.871 4.120 -6.520 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.331 5.413 -6.027 1.00 0.00 C ATOM 1014 C GLU A 69 -1.268 6.483 -6.246 1.00 0.00 C ATOM 1015 O GLU A 69 -1.575 7.609 -6.636 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.683 5.324 -4.541 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.518 6.492 -4.042 1.00 0.00 C ATOM 1018 CD GLU A 69 -2.732 7.787 -3.981 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -1.496 7.725 -3.812 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -3.353 8.865 -4.101 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.761 3.408 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.225 5.690 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.226 4.396 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.762 5.273 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.379 6.624 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.905 6.259 -3.050 1.00 0.00 H new ATOM 1027 N TYR A 70 -0.015 6.124 -5.990 1.00 0.00 N ATOM 1028 CA TYR A 70 1.095 7.055 -6.160 1.00 0.00 C ATOM 1029 C TYR A 70 1.670 6.975 -7.576 1.00 0.00 C ATOM 1030 O TYR A 70 2.347 7.895 -8.034 1.00 0.00 O ATOM 1031 CB TYR A 70 2.186 6.771 -5.119 1.00 0.00 C ATOM 1032 CG TYR A 70 3.275 5.831 -5.594 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.330 6.295 -6.369 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.244 4.481 -5.268 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.324 5.441 -6.806 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.235 3.621 -5.701 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.272 4.105 -6.469 1.00 0.00 C ATOM 1038 OH TYR A 70 6.260 3.251 -6.903 1.00 0.00 O ATOM 0 H TYR A 70 0.258 5.197 -5.664 1.00 0.00 H new ATOM 0 HA TYR A 70 0.719 8.067 -6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.642 7.715 -4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.720 6.348 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.374 7.341 -6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.433 4.098 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.137 5.818 -7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.197 2.574 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 70 6.560 2.691 -6.157 1.00 0.00 H new ATOM 1048 N ASN A 71 1.405 5.866 -8.259 1.00 0.00 N ATOM 1049 CA ASN A 71 1.905 5.665 -9.615 1.00 0.00 C ATOM 1050 C ASN A 71 0.986 6.300 -10.657 1.00 0.00 C ATOM 1051 O ASN A 71 1.418 6.607 -11.768 1.00 0.00 O ATOM 1052 CB ASN A 71 2.061 4.171 -9.902 1.00 0.00 C ATOM 1053 CG ASN A 71 3.380 3.621 -9.394 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.418 2.871 -8.419 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.470 3.993 -10.055 1.00 0.00 N ATOM 0 H ASN A 71 0.847 5.093 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 71 2.877 6.154 -9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.240 3.626 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.988 4.000 -10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.386 3.655 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.391 4.617 -10.858 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.282 6.487 -10.302 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.248 7.077 -11.224 1.00 0.00 C ATOM 1064 C ASN A 72 -1.184 8.603 -11.196 1.00 0.00 C ATOM 1065 O ASN A 72 -1.364 9.259 -12.222 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.667 6.596 -10.891 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.329 7.411 -9.794 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.982 8.419 -10.063 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -3.162 6.978 -8.552 1.00 0.00 N ATOM 0 H ASN A 72 -0.663 6.240 -9.389 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.991 6.750 -12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.281 6.642 -11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.628 5.550 -10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.583 7.486 -7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.613 6.137 -8.375 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.936 9.163 -10.016 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.861 10.614 -9.858 1.00 0.00 C ATOM 1078 C LYS A 73 0.068 11.242 -10.892 1.00 0.00 C ATOM 1079 O LYS A 73 -0.264 12.261 -11.498 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.391 10.986 -8.449 1.00 0.00 C ATOM 1081 CG LYS A 73 0.677 10.063 -7.892 1.00 0.00 C ATOM 1082 CD LYS A 73 1.411 10.706 -6.726 1.00 0.00 C ATOM 1083 CE LYS A 73 2.814 10.142 -6.570 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.630 10.941 -5.614 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.784 8.636 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.866 11.007 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.005 12.005 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.249 10.979 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.219 9.129 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.389 9.811 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.466 11.784 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.848 10.543 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.754 9.111 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.308 10.123 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.580 10.524 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.709 11.919 -5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.172 10.938 -4.680 1.00 0.00 H new ATOM 1098 N ASN A 74 1.235 10.638 -11.083 1.00 0.00 N ATOM 1099 CA ASN A 74 2.206 11.151 -12.034 1.00 0.00 C ATOM 1100 C ASN A 74 3.429 10.241 -12.134 1.00 0.00 C ATOM 1101 O ASN A 74 4.039 10.125 -13.197 1.00 0.00 O ATOM 1102 CB ASN A 74 2.628 12.560 -11.625 1.00 0.00 C ATOM 1103 CG ASN A 74 2.823 12.703 -10.126 1.00 0.00 C ATOM 1104 OD1 ASN A 74 3.890 12.110 -9.606 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 2.021 13.341 -9.444 1.00 0.00 N flip ATOM 0 H ASN A 74 1.529 9.794 -10.591 1.00 0.00 H new ATOM 0 HA ASN A 74 1.737 11.181 -13.018 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.557 12.819 -12.134 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.873 13.272 -11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.213 13.781 -9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.164 13.429 -8.438 1.00 0.00 H new ATOM 1112 N ASN A 75 3.787 9.600 -11.024 1.00 0.00 N ATOM 1113 CA ASN A 75 4.941 8.705 -10.993 1.00 0.00 C ATOM 1114 C ASN A 75 4.898 7.707 -12.149 1.00 0.00 C ATOM 1115 O ASN A 75 3.914 7.639 -12.886 1.00 0.00 O ATOM 1116 CB ASN A 75 4.996 7.957 -9.659 1.00 0.00 C ATOM 1117 CG ASN A 75 6.385 7.957 -9.052 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.787 8.915 -8.392 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.128 6.879 -9.275 1.00 0.00 N ATOM 0 H ASN A 75 3.295 9.684 -10.135 1.00 0.00 H new ATOM 0 HA ASN A 75 5.839 9.313 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.297 8.416 -8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.668 6.928 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.072 6.822 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.754 6.108 -9.828 1.00 0.00 H new ATOM 1126 N ALA A 76 5.971 6.938 -12.300 1.00 0.00 N ATOM 1127 CA ALA A 76 6.058 5.947 -13.366 1.00 0.00 C ATOM 1128 C ALA A 76 4.933 4.923 -13.260 1.00 0.00 C ATOM 1129 O ALA A 76 4.047 5.045 -12.415 1.00 0.00 O ATOM 1130 CB ALA A 76 7.411 5.253 -13.330 1.00 0.00 C ATOM 0 H ALA A 76 6.793 6.982 -11.697 1.00 0.00 H new ATOM 0 HA ALA A 76 5.951 6.465 -14.319 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.463 4.516 -14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.202 5.991 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.539 4.755 -12.369 1.00 0.00 H new ATOM 1136 N LEU A 77 4.977 3.913 -14.123 1.00 0.00 N ATOM 1137 CA LEU A 77 3.961 2.866 -14.128 1.00 0.00 C ATOM 1138 C LEU A 77 4.594 1.495 -13.909 1.00 0.00 C ATOM 1139 O LEU A 77 4.938 0.798 -14.864 1.00 0.00 O ATOM 1140 CB LEU A 77 3.186 2.885 -15.448 1.00 0.00 C ATOM 1141 CG LEU A 77 1.670 3.036 -15.306 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.112 1.969 -14.378 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.320 4.426 -14.796 1.00 0.00 C ATOM 0 H LEU A 77 5.705 3.797 -14.828 1.00 0.00 H new ATOM 0 HA LEU A 77 3.268 3.059 -13.309 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.562 3.704 -16.061 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.395 1.961 -15.988 1.00 0.00 H new ATOM 0 HG LEU A 77 1.216 2.906 -16.289 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.033 2.092 -14.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.332 0.982 -14.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.570 2.067 -13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.238 4.517 -14.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.785 4.584 -13.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.686 5.174 -15.499 1.00 0.00 H new ATOM 1155 N LEU A 78 4.744 1.114 -12.645 1.00 0.00 N ATOM 1156 CA LEU A 78 5.334 -0.174 -12.298 1.00 0.00 C ATOM 1157 C LEU A 78 4.268 -1.138 -11.786 1.00 0.00 C ATOM 1158 O LEU A 78 3.082 -0.809 -11.764 1.00 0.00 O ATOM 1159 CB LEU A 78 6.426 0.008 -11.240 1.00 0.00 C ATOM 1160 CG LEU A 78 6.152 1.102 -10.206 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.886 0.788 -9.423 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.339 1.258 -9.266 1.00 0.00 C ATOM 0 H LEU A 78 4.465 1.679 -11.843 1.00 0.00 H new ATOM 0 HA LEU A 78 5.779 -0.597 -13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.565 -0.938 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.365 0.234 -11.745 1.00 0.00 H new ATOM 0 HG LEU A 78 6.006 2.046 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.706 1.576 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.040 0.728 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.004 -0.165 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.126 2.040 -8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.517 0.317 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.225 1.529 -9.840 1.00 0.00 H new ATOM 1174 N GLU A 79 4.695 -2.330 -11.379 1.00 0.00 N ATOM 1175 CA GLU A 79 3.769 -3.337 -10.873 1.00 0.00 C ATOM 1176 C GLU A 79 4.354 -4.066 -9.667 1.00 0.00 C ATOM 1177 O GLU A 79 5.498 -4.519 -9.697 1.00 0.00 O ATOM 1178 CB GLU A 79 3.426 -4.343 -11.973 1.00 0.00 C ATOM 1179 CG GLU A 79 2.306 -5.299 -11.596 1.00 0.00 C ATOM 1180 CD GLU A 79 0.981 -4.923 -12.230 1.00 0.00 C ATOM 1181 OE1 GLU A 79 0.787 -3.728 -12.535 1.00 0.00 O ATOM 1182 OE2 GLU A 79 0.138 -5.825 -12.421 1.00 0.00 O1- ATOM 0 H GLU A 79 5.673 -2.621 -11.390 1.00 0.00 H new ATOM 0 HA GLU A 79 2.859 -2.827 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.141 -3.800 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.318 -4.920 -12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.577 -6.309 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.195 -5.313 -10.512 1.00 0.00 H new ATOM 1189 N PHE A 80 3.557 -4.178 -8.608 1.00 0.00 N ATOM 1190 CA PHE A 80 3.990 -4.856 -7.392 1.00 0.00 C ATOM 1191 C PHE A 80 3.902 -6.373 -7.558 1.00 0.00 C ATOM 1192 O PHE A 80 3.052 -6.876 -8.291 1.00 0.00 O ATOM 1193 CB PHE A 80 3.145 -4.391 -6.196 1.00 0.00 C ATOM 1194 CG PHE A 80 2.021 -5.324 -5.837 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.844 -5.325 -6.567 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.150 -6.204 -4.776 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.186 -6.187 -6.243 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.123 -7.068 -4.446 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.047 -7.060 -5.182 1.00 0.00 C ATOM 0 H PHE A 80 2.608 -3.807 -8.568 1.00 0.00 H new ATOM 0 HA PHE A 80 5.032 -4.597 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.796 -4.273 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.730 -3.408 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.730 -4.645 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.063 -6.215 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.099 -6.178 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.234 -7.748 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.851 -7.735 -4.928 1.00 0.00 H new ATOM 1209 N VAL A 81 4.782 -7.095 -6.872 1.00 0.00 N ATOM 1210 CA VAL A 81 4.794 -8.550 -6.947 1.00 0.00 C ATOM 1211 C VAL A 81 4.177 -9.167 -5.697 1.00 0.00 C ATOM 1212 O VAL A 81 3.492 -10.187 -5.772 1.00 0.00 O ATOM 1213 CB VAL A 81 6.224 -9.095 -7.125 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.733 -8.811 -8.530 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.159 -8.500 -6.082 1.00 0.00 C ATOM 0 H VAL A 81 5.494 -6.697 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 81 4.200 -8.827 -7.818 1.00 0.00 H new ATOM 0 HB VAL A 81 6.200 -10.175 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.744 -9.203 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.079 -9.291 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.741 -7.735 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.164 -8.898 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.179 -7.415 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.804 -8.760 -5.085 1.00 0.00 H new ATOM 1225 N ARG A 82 4.423 -8.540 -4.549 1.00 0.00 N ATOM 1226 CA ARG A 82 3.891 -9.024 -3.278 1.00 0.00 C ATOM 1227 C ARG A 82 4.422 -8.194 -2.115 1.00 0.00 C ATOM 1228 O ARG A 82 5.386 -7.442 -2.265 1.00 0.00 O ATOM 1229 CB ARG A 82 4.254 -10.492 -3.069 1.00 0.00 C ATOM 1230 CG ARG A 82 5.736 -10.758 -3.211 1.00 0.00 C ATOM 1231 CD ARG A 82 6.013 -12.204 -3.586 1.00 0.00 C ATOM 1232 NE ARG A 82 7.388 -12.398 -4.040 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.859 -13.552 -4.509 1.00 0.00 C ATOM 1234 NH1 ARG A 82 7.069 -14.616 -4.587 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 9.122 -13.642 -4.901 1.00 0.00 N ATOM 0 H ARG A 82 4.988 -7.694 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 82 2.806 -8.926 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.927 -10.804 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.710 -11.102 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.153 -10.098 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.240 -10.522 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.822 -12.845 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.325 -12.513 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 82 8.025 -11.603 -3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.096 -14.552 -4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.435 -15.497 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.733 -12.827 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.483 -14.526 -5.260 1.00 0.00 H new ATOM 1249 N VAL A 83 3.790 -8.335 -0.954 1.00 0.00 N ATOM 1250 CA VAL A 83 4.200 -7.598 0.233 1.00 0.00 C ATOM 1251 C VAL A 83 5.264 -8.361 1.017 1.00 0.00 C ATOM 1252 O VAL A 83 5.219 -9.588 1.113 1.00 0.00 O ATOM 1253 CB VAL A 83 2.998 -7.305 1.156 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.853 -6.688 0.367 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.540 -8.569 1.873 1.00 0.00 C ATOM 0 H VAL A 83 2.992 -8.954 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 83 4.620 -6.653 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 83 3.319 -6.587 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.016 -6.489 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.185 -5.754 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.537 -7.378 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.692 -8.335 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.242 -9.317 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.358 -8.961 2.478 1.00 0.00 H new ATOM 1265 N VAL A 84 6.219 -7.627 1.577 1.00 0.00 N ATOM 1266 CA VAL A 84 7.294 -8.233 2.354 1.00 0.00 C ATOM 1267 C VAL A 84 7.280 -7.749 3.805 1.00 0.00 C ATOM 1268 O VAL A 84 7.941 -8.332 4.665 1.00 0.00 O ATOM 1269 CB VAL A 84 8.672 -7.930 1.734 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.927 -6.430 1.694 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.775 -8.648 2.501 1.00 0.00 C ATOM 0 H VAL A 84 6.271 -6.611 1.507 1.00 0.00 H new ATOM 0 HA VAL A 84 7.123 -9.309 2.338 1.00 0.00 H new ATOM 0 HB VAL A 84 8.675 -8.300 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.905 -6.239 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.157 -5.946 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.902 -6.029 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.740 -8.421 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.774 -8.314 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.601 -9.724 2.466 1.00 0.00 H new ATOM 1281 N LYS A 85 6.528 -6.684 4.075 1.00 0.00 N ATOM 1282 CA LYS A 85 6.443 -6.137 5.426 1.00 0.00 C ATOM 1283 C LYS A 85 5.071 -5.525 5.685 1.00 0.00 C ATOM 1284 O LYS A 85 4.381 -5.105 4.756 1.00 0.00 O ATOM 1285 CB LYS A 85 7.530 -5.082 5.645 1.00 0.00 C ATOM 1286 CG LYS A 85 8.862 -5.434 5.005 1.00 0.00 C ATOM 1287 CD LYS A 85 9.978 -4.531 5.506 1.00 0.00 C ATOM 1288 CE LYS A 85 11.126 -4.460 4.512 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.443 -4.331 5.194 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.972 -6.186 3.380 1.00 0.00 H new ATOM 0 HA LYS A 85 6.594 -6.957 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.185 -4.129 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.677 -4.942 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.108 -6.473 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.781 -5.346 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.586 -3.529 5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.346 -4.902 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.125 -5.356 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.977 -3.610 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.200 -4.286 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.454 -3.463 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.597 -5.154 5.811 1.00 0.00 H new ATOM 1303 N ALA A 86 4.682 -5.477 6.955 1.00 0.00 N ATOM 1304 CA ALA A 86 3.394 -4.915 7.341 1.00 0.00 C ATOM 1305 C ALA A 86 3.428 -4.403 8.778 1.00 0.00 C ATOM 1306 O ALA A 86 3.813 -5.125 9.696 1.00 0.00 O ATOM 1307 CB ALA A 86 2.294 -5.953 7.175 1.00 0.00 C ATOM 0 H ALA A 86 5.242 -5.821 7.735 1.00 0.00 H new ATOM 0 HA ALA A 86 3.183 -4.070 6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.338 -5.519 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.246 -6.269 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.509 -6.815 7.806 1.00 0.00 H new ATOM 1313 N LYS A 87 3.023 -3.151 8.963 1.00 0.00 N ATOM 1314 CA LYS A 87 3.006 -2.539 10.287 1.00 0.00 C ATOM 1315 C LYS A 87 1.754 -1.687 10.473 1.00 0.00 C ATOM 1316 O LYS A 87 1.100 -1.309 9.501 1.00 0.00 O ATOM 1317 CB LYS A 87 4.256 -1.682 10.493 1.00 0.00 C ATOM 1318 CG LYS A 87 5.528 -2.495 10.675 1.00 0.00 C ATOM 1319 CD LYS A 87 6.264 -2.680 9.358 1.00 0.00 C ATOM 1320 CE LYS A 87 7.226 -3.855 9.417 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.223 -3.703 10.513 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.702 -2.540 8.212 1.00 0.00 H new ATOM 0 HA LYS A 87 2.996 -3.337 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.378 -1.020 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.112 -1.048 11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.181 -1.996 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.281 -3.470 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.543 -2.839 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.814 -1.770 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.664 -4.777 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.746 -3.946 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.931 -4.462 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.695 -2.780 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.740 -3.761 11.432 1.00 0.00 H new ATOM 1335 N GLU A 88 1.424 -1.389 11.726 1.00 0.00 N ATOM 1336 CA GLU A 88 0.247 -0.583 12.034 1.00 0.00 C ATOM 1337 C GLU A 88 0.639 0.715 12.731 1.00 0.00 C ATOM 1338 O GLU A 88 1.728 0.825 13.295 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.722 -1.375 12.913 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.922 -2.812 12.458 1.00 0.00 C ATOM 1341 CD GLU A 88 0.066 -3.769 13.096 1.00 0.00 C ATOM 1342 OE1 GLU A 88 1.231 -3.806 12.646 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -0.324 -4.481 14.045 1.00 0.00 O ATOM 0 H GLU A 88 1.954 -1.693 12.543 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.245 -0.333 11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.352 -1.376 13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.687 -0.868 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.937 -3.128 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.823 -2.863 11.374 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.256 1.697 12.689 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.006 2.989 13.318 1.00 0.00 C ATOM 1352 C GLN A 89 -1.314 3.738 13.554 1.00 0.00 C ATOM 1353 O GLN A 89 -2.230 3.680 12.734 1.00 0.00 O ATOM 1354 CB GLN A 89 0.931 3.830 12.448 1.00 0.00 C ATOM 1355 CG GLN A 89 1.249 5.196 13.036 1.00 0.00 C ATOM 1356 CD GLN A 89 2.496 5.184 13.899 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.529 5.737 13.523 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.405 4.551 15.062 1.00 0.00 N ATOM 0 H GLN A 89 -1.162 1.622 12.226 1.00 0.00 H new ATOM 0 HA GLN A 89 0.470 2.812 14.283 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.862 3.283 12.298 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.478 3.964 11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.379 5.914 12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.402 5.537 13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.528 4.106 15.333 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.212 4.509 15.684 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.393 4.440 14.680 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.590 5.199 15.024 1.00 0.00 C ATOM 1369 C VAL A 90 -2.325 6.701 14.975 1.00 0.00 C ATOM 1370 O VAL A 90 -1.488 7.218 15.715 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.107 4.828 16.427 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.459 5.473 16.687 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.190 3.317 16.581 1.00 0.00 C ATOM 0 H VAL A 90 -0.643 4.499 15.369 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.348 4.942 14.284 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.402 5.208 17.167 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.807 5.199 17.683 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.364 6.557 16.621 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.177 5.126 15.943 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.557 3.072 17.578 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.872 2.912 15.834 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.200 2.882 16.442 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.046 7.394 14.100 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.894 8.837 13.953 1.00 0.00 C ATOM 1385 C VAL A 91 -4.114 9.448 13.272 1.00 0.00 C ATOM 1386 O VAL A 91 -4.264 9.363 12.053 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.635 9.192 13.140 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.386 9.042 13.994 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.542 8.328 11.891 1.00 0.00 C ATOM 0 H VAL A 91 -3.742 6.979 13.481 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.794 9.249 14.957 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.711 10.234 12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.493 9.297 13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.451 9.709 14.853 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.303 8.012 14.340 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.646 8.594 11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.492 7.278 12.178 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.422 8.492 11.269 1.00 0.00 H new ATOM 1399 N SER A 92 -4.985 10.061 14.067 1.00 0.00 N ATOM 1400 CA SER A 92 -6.195 10.683 13.539 1.00 0.00 C ATOM 1401 C SER A 92 -7.067 9.655 12.824 1.00 0.00 C ATOM 1402 O SER A 92 -7.851 9.999 11.939 1.00 0.00 O ATOM 1403 CB SER A 92 -5.833 11.819 12.580 1.00 0.00 C ATOM 1404 OG SER A 92 -5.093 12.830 13.243 1.00 0.00 O ATOM 0 H SER A 92 -4.876 10.141 15.078 1.00 0.00 H new ATOM 0 HA SER A 92 -6.760 11.091 14.377 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.251 11.425 11.747 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.743 12.247 12.158 1.00 0.00 H new ATOM 0 HG SER A 92 -4.873 13.543 12.608 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.924 8.392 13.212 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.702 7.334 12.598 1.00 0.00 C ATOM 1412 C GLY A 93 -6.971 6.006 12.608 1.00 0.00 C ATOM 1413 O GLY A 93 -6.739 5.426 13.669 1.00 0.00 O ATOM 0 H GLY A 93 -6.282 8.083 13.942 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.650 7.229 13.126 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.938 7.609 11.570 1.00 0.00 H new ATOM 1417 N MET A 94 -6.606 5.525 11.425 1.00 0.00 N ATOM 1418 CA MET A 94 -5.895 4.258 11.303 1.00 0.00 C ATOM 1419 C MET A 94 -4.906 4.299 10.143 1.00 0.00 C ATOM 1420 O MET A 94 -5.300 4.403 8.981 1.00 0.00 O ATOM 1421 CB MET A 94 -6.886 3.110 11.103 1.00 0.00 C ATOM 1422 CG MET A 94 -7.746 2.828 12.325 1.00 0.00 C ATOM 1423 SD MET A 94 -6.860 1.911 13.600 1.00 0.00 S ATOM 1424 CE MET A 94 -7.008 3.033 14.988 1.00 0.00 C ATOM 0 H MET A 94 -6.791 5.993 10.538 1.00 0.00 H new ATOM 0 HA MET A 94 -5.339 4.092 12.226 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.535 3.344 10.259 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.335 2.207 10.841 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.100 3.771 12.741 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.627 2.262 12.022 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.159 2.461 15.904 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.097 3.625 15.076 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.858 3.697 14.830 1.00 0.00 H new ATOM 1434 N MET A 95 -3.620 4.214 10.466 1.00 0.00 N ATOM 1435 CA MET A 95 -2.572 4.237 9.452 1.00 0.00 C ATOM 1436 C MET A 95 -1.859 2.890 9.384 1.00 0.00 C ATOM 1437 O MET A 95 -1.581 2.272 10.412 1.00 0.00 O ATOM 1438 CB MET A 95 -1.565 5.350 9.752 1.00 0.00 C ATOM 1439 CG MET A 95 -1.160 6.150 8.525 1.00 0.00 C ATOM 1440 SD MET A 95 -0.171 7.601 8.936 1.00 0.00 S ATOM 1441 CE MET A 95 -1.260 8.916 8.397 1.00 0.00 C ATOM 0 H MET A 95 -3.278 4.128 11.423 1.00 0.00 H new ATOM 0 HA MET A 95 -3.036 4.433 8.485 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.993 6.027 10.492 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.673 4.911 10.200 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.594 5.509 7.849 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.056 6.465 7.990 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.680 9.824 8.231 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.751 8.624 7.469 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.013 9.102 9.163 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.569 2.438 8.168 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.892 1.161 7.971 1.00 0.00 C ATOM 1453 C HIS A 96 0.385 1.335 7.155 1.00 0.00 C ATOM 1454 O HIS A 96 0.360 1.880 6.051 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.825 0.170 7.273 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.315 -1.237 7.278 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.981 -2.278 7.891 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -0.194 -1.776 6.741 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.293 -3.394 7.730 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -0.206 -3.117 7.036 1.00 0.00 N ATOM 0 H HIS A 96 -1.792 2.936 7.306 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.621 0.770 8.952 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.800 0.196 7.760 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.975 0.490 6.242 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -2.867 -2.198 8.391 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.567 -1.249 6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.573 -4.368 8.103 1.00 0.00 H new ATOM 1469 N TYR A 97 1.498 0.862 7.705 1.00 0.00 N ATOM 1470 CA TYR A 97 2.787 0.956 7.030 1.00 0.00 C ATOM 1471 C TYR A 97 3.229 -0.415 6.528 1.00 0.00 C ATOM 1472 O TYR A 97 3.805 -1.204 7.276 1.00 0.00 O ATOM 1473 CB TYR A 97 3.843 1.529 7.979 1.00 0.00 C ATOM 1474 CG TYR A 97 3.697 3.014 8.227 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.492 3.551 8.662 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.767 3.878 8.030 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.357 4.908 8.890 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.640 5.235 8.257 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.433 5.744 8.687 1.00 0.00 C ATOM 1480 OH TYR A 97 3.303 7.095 8.914 1.00 0.00 O ATOM 0 H TYR A 97 1.533 0.409 8.618 1.00 0.00 H new ATOM 0 HA TYR A 97 2.679 1.624 6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.786 1.003 8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.833 1.334 7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.647 2.898 8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.714 3.482 7.694 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.413 5.311 9.226 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.481 5.893 8.098 1.00 0.00 H new ATOM 0 HH TYR A 97 4.143 7.449 9.273 1.00 0.00 H new ATOM 1490 N LEU A 98 2.948 -0.696 5.259 1.00 0.00 N ATOM 1491 CA LEU A 98 3.311 -1.978 4.664 1.00 0.00 C ATOM 1492 C LEU A 98 4.303 -1.795 3.521 1.00 0.00 C ATOM 1493 O LEU A 98 4.203 -0.847 2.742 1.00 0.00 O ATOM 1494 CB LEU A 98 2.060 -2.696 4.154 1.00 0.00 C ATOM 1495 CG LEU A 98 1.363 -2.019 2.970 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.062 -3.031 1.875 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.087 -1.328 3.425 1.00 0.00 C ATOM 0 H LEU A 98 2.471 -0.055 4.624 1.00 0.00 H new ATOM 0 HA LEU A 98 3.786 -2.583 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.334 -3.710 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.348 -2.781 4.975 1.00 0.00 H new ATOM 0 HG LEU A 98 2.036 -1.264 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.567 -2.530 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.993 -3.478 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.410 -3.810 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.394 -0.853 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.590 -2.063 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.329 -0.572 4.172 1.00 0.00 H new ATOM 1509 N THR A 99 5.259 -2.714 3.425 1.00 0.00 N ATOM 1510 CA THR A 99 6.268 -2.661 2.374 1.00 0.00 C ATOM 1511 C THR A 99 6.081 -3.813 1.394 1.00 0.00 C ATOM 1512 O THR A 99 5.803 -4.941 1.797 1.00 0.00 O ATOM 1513 CB THR A 99 7.670 -2.716 2.981 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.685 -2.113 4.263 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.716 -2.023 2.135 1.00 0.00 C ATOM 0 H THR A 99 5.356 -3.504 4.063 1.00 0.00 H new ATOM 0 HA THR A 99 6.152 -1.721 1.835 1.00 0.00 H new ATOM 0 HB THR A 99 7.918 -3.776 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.609 -2.044 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.688 -2.099 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.764 -2.498 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.451 -0.972 2.017 1.00 0.00 H new ATOM 1523 N VAL A 100 6.230 -3.523 0.105 1.00 0.00 N ATOM 1524 CA VAL A 100 6.071 -4.541 -0.924 1.00 0.00 C ATOM 1525 C VAL A 100 7.129 -4.392 -2.016 1.00 0.00 C ATOM 1526 O VAL A 100 7.704 -3.319 -2.193 1.00 0.00 O ATOM 1527 CB VAL A 100 4.662 -4.487 -1.557 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.598 -4.336 -0.480 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.556 -3.357 -2.574 1.00 0.00 C ATOM 0 H VAL A 100 6.460 -2.595 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 100 6.199 -5.508 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 100 4.495 -5.427 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.613 -4.300 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.647 -5.185 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.771 -3.415 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.553 -3.345 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.752 -2.405 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.287 -3.512 -3.368 1.00 0.00 H new ATOM 1539 N GLU A 101 7.374 -5.474 -2.748 1.00 0.00 N ATOM 1540 CA GLU A 101 8.357 -5.457 -3.824 1.00 0.00 C ATOM 1541 C GLU A 101 7.704 -5.044 -5.138 1.00 0.00 C ATOM 1542 O GLU A 101 6.630 -5.532 -5.489 1.00 0.00 O ATOM 1543 CB GLU A 101 9.012 -6.832 -3.972 1.00 0.00 C ATOM 1544 CG GLU A 101 10.097 -7.101 -2.942 1.00 0.00 C ATOM 1545 CD GLU A 101 10.425 -8.576 -2.813 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.703 -9.283 -2.079 1.00 0.00 O ATOM 1547 OE2 GLU A 101 11.404 -9.024 -3.447 1.00 0.00 O1- ATOM 0 H GLU A 101 6.907 -6.371 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 101 9.127 -4.728 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.245 -7.602 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.441 -6.916 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.999 -6.555 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.776 -6.718 -1.973 1.00 0.00 H new ATOM 1554 N VAL A 102 8.352 -4.133 -5.855 1.00 0.00 N ATOM 1555 CA VAL A 102 7.825 -3.647 -7.125 1.00 0.00 C ATOM 1556 C VAL A 102 8.811 -3.879 -8.264 1.00 0.00 C ATOM 1557 O VAL A 102 10.025 -3.898 -8.057 1.00 0.00 O ATOM 1558 CB VAL A 102 7.488 -2.147 -7.051 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.748 -1.703 -8.302 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.673 -1.842 -5.803 1.00 0.00 C ATOM 0 H VAL A 102 9.241 -3.717 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 102 6.914 -4.212 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 102 8.421 -1.587 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.518 -0.640 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.373 -1.882 -9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.821 -2.269 -8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.445 -0.777 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.744 -2.412 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.246 -2.119 -4.918 1.00 0.00 H new ATOM 1570 N ASN A 103 8.277 -4.052 -9.469 1.00 0.00 N ATOM 1571 CA ASN A 103 9.102 -4.279 -10.649 1.00 0.00 C ATOM 1572 C ASN A 103 8.730 -3.304 -11.762 1.00 0.00 C ATOM 1573 O ASN A 103 7.577 -2.887 -11.876 1.00 0.00 O ATOM 1574 CB ASN A 103 8.941 -5.718 -11.141 1.00 0.00 C ATOM 1575 CG ASN A 103 9.916 -6.063 -12.250 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.835 -5.523 -13.353 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.845 -6.967 -11.961 1.00 0.00 N ATOM 0 H ASN A 103 7.274 -4.039 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 103 10.144 -4.113 -10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.088 -6.403 -10.306 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.922 -5.865 -11.498 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.529 -7.239 -12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.875 -7.389 -11.033 1.00 0.00 H new ATOM 1584 N ASP A 104 9.714 -2.942 -12.580 1.00 0.00 N ATOM 1585 CA ASP A 104 9.487 -2.013 -13.682 1.00 0.00 C ATOM 1586 C ASP A 104 10.461 -2.272 -14.827 1.00 0.00 C ATOM 1587 O ASP A 104 11.655 -1.997 -14.714 1.00 0.00 O ATOM 1588 CB ASP A 104 9.628 -0.570 -13.196 1.00 0.00 C ATOM 1589 CG ASP A 104 8.756 0.392 -13.980 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.452 0.095 -15.154 1.00 0.00 O ATOM 1591 OD2 ASP A 104 8.378 1.442 -13.419 1.00 0.00 O1- ATOM 0 H ASP A 104 10.674 -3.277 -12.501 1.00 0.00 H new ATOM 0 HA ASP A 104 8.473 -2.170 -14.051 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.363 -0.518 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.670 -0.262 -13.279 1.00 0.00 H new ATOM 1596 N ALA A 105 9.941 -2.801 -15.931 1.00 0.00 N ATOM 1597 CA ALA A 105 10.763 -3.095 -17.101 1.00 0.00 C ATOM 1598 C ALA A 105 11.949 -3.982 -16.735 1.00 0.00 C ATOM 1599 O ALA A 105 13.004 -3.914 -17.366 1.00 0.00 O ATOM 1600 CB ALA A 105 11.246 -1.804 -17.743 1.00 0.00 C ATOM 0 H ALA A 105 8.954 -3.035 -16.040 1.00 0.00 H new ATOM 0 HA ALA A 105 10.147 -3.638 -17.818 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.858 -2.038 -18.614 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.387 -1.208 -18.052 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.840 -1.240 -17.024 1.00 0.00 H new ATOM 1606 N GLY A 106 11.769 -4.812 -15.714 1.00 0.00 N ATOM 1607 CA GLY A 106 12.834 -5.699 -15.284 1.00 0.00 C ATOM 1608 C GLY A 106 13.471 -5.253 -13.983 1.00 0.00 C ATOM 1609 O GLY A 106 13.988 -6.073 -13.224 1.00 0.00 O ATOM 0 H GLY A 106 10.905 -4.887 -15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.437 -6.707 -15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.597 -5.748 -16.061 1.00 0.00 H new ATOM 1613 N LYS A 107 13.434 -3.950 -13.723 1.00 0.00 N ATOM 1614 CA LYS A 107 14.013 -3.399 -12.503 1.00 0.00 C ATOM 1615 C LYS A 107 13.185 -3.794 -11.285 1.00 0.00 C ATOM 1616 O LYS A 107 12.067 -3.314 -11.100 1.00 0.00 O ATOM 1617 CB LYS A 107 14.104 -1.875 -12.600 1.00 0.00 C ATOM 1618 CG LYS A 107 15.404 -1.381 -13.213 1.00 0.00 C ATOM 1619 CD LYS A 107 15.302 0.074 -13.639 1.00 0.00 C ATOM 1620 CE LYS A 107 15.194 0.999 -12.437 1.00 0.00 C ATOM 1621 NZ LYS A 107 13.776 1.269 -12.069 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.010 -3.257 -14.340 1.00 0.00 H new ATOM 0 HA LYS A 107 15.017 -3.809 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.268 -1.507 -13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.997 -1.449 -11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.213 -1.494 -12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.658 -1.997 -14.076 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.177 0.344 -14.230 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.431 0.206 -14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.711 0.552 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.697 1.940 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.551 2.266 -12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.149 0.658 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.636 1.072 -11.057 1.00 0.00 H new ATOM 1635 N LYS A 108 13.742 -4.673 -10.458 1.00 0.00 N ATOM 1636 CA LYS A 108 13.056 -5.135 -9.257 1.00 0.00 C ATOM 1637 C LYS A 108 13.609 -4.446 -8.014 1.00 0.00 C ATOM 1638 O LYS A 108 14.811 -4.201 -7.912 1.00 0.00 O ATOM 1639 CB LYS A 108 13.196 -6.653 -9.119 1.00 0.00 C ATOM 1640 CG LYS A 108 12.496 -7.222 -7.896 1.00 0.00 C ATOM 1641 CD LYS A 108 11.068 -7.633 -8.213 1.00 0.00 C ATOM 1642 CE LYS A 108 10.330 -8.089 -6.965 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.225 -9.573 -6.893 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.667 -5.080 -10.598 1.00 0.00 H new ATOM 0 HA LYS A 108 12.000 -4.880 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.792 -7.129 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.255 -6.909 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.051 -8.085 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.493 -6.479 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.538 -6.794 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.074 -8.438 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.849 -7.718 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.331 -7.653 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.052 -9.861 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.438 -9.895 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.112 -10.000 -7.228 1.00 0.00 H new ATOM 1657 N LYS A 109 12.725 -4.136 -7.071 1.00 0.00 N ATOM 1658 CA LYS A 109 13.130 -3.476 -5.835 1.00 0.00 C ATOM 1659 C LYS A 109 12.025 -3.548 -4.786 1.00 0.00 C ATOM 1660 O LYS A 109 10.929 -4.040 -5.056 1.00 0.00 O ATOM 1661 CB LYS A 109 13.495 -2.015 -6.108 1.00 0.00 C ATOM 1662 CG LYS A 109 14.967 -1.804 -6.422 1.00 0.00 C ATOM 1663 CD LYS A 109 15.406 -0.384 -6.103 1.00 0.00 C ATOM 1664 CE LYS A 109 16.653 0.001 -6.882 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.502 -0.266 -8.339 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.726 -4.331 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 109 14.005 -3.997 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.898 -1.650 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.228 -1.414 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.568 -2.509 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.149 -2.014 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.599 0.309 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.601 -0.293 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.866 1.059 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.508 -0.556 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.149 0.348 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.729 -1.262 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.522 -0.071 -8.628 1.00 0.00 H new ATOM 1679 N LEU A 110 12.323 -3.053 -3.589 1.00 0.00 N ATOM 1680 CA LEU A 110 11.359 -3.057 -2.495 1.00 0.00 C ATOM 1681 C LEU A 110 11.030 -1.632 -2.062 1.00 0.00 C ATOM 1682 O LEU A 110 11.915 -0.875 -1.666 1.00 0.00 O ATOM 1683 CB LEU A 110 11.907 -3.856 -1.308 1.00 0.00 C ATOM 1684 CG LEU A 110 11.136 -3.692 0.006 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.643 -3.876 -0.222 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.644 -4.679 1.046 1.00 0.00 C ATOM 0 H LEU A 110 13.226 -2.643 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 110 10.443 -3.531 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.915 -4.913 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.943 -3.562 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 110 11.302 -2.681 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.113 -3.756 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.289 -3.130 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.456 -4.874 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.086 -4.550 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.507 -5.696 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.703 -4.499 1.231 1.00 0.00 H new ATOM 1698 N TYR A 111 9.753 -1.276 -2.139 1.00 0.00 N ATOM 1699 CA TYR A 111 9.308 0.058 -1.754 1.00 0.00 C ATOM 1700 C TYR A 111 8.279 -0.015 -0.629 1.00 0.00 C ATOM 1701 O TYR A 111 7.437 -0.913 -0.600 1.00 0.00 O ATOM 1702 CB TYR A 111 8.715 0.786 -2.963 1.00 0.00 C ATOM 1703 CG TYR A 111 9.556 0.673 -4.217 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.946 0.641 -4.151 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.959 0.600 -5.469 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.712 0.540 -5.296 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.719 0.498 -6.618 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.095 0.469 -6.527 1.00 0.00 C ATOM 1709 OH TYR A 111 11.855 0.368 -7.669 1.00 0.00 O ATOM 0 H TYR A 111 9.008 -1.892 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 111 10.172 0.615 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.722 0.385 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.589 1.840 -2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.434 0.696 -3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.882 0.623 -5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.790 0.517 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.238 0.441 -7.583 1.00 0.00 H new ATOM 0 HH TYR A 111 11.266 0.327 -8.451 1.00 0.00 H new ATOM 1719 N GLU A 112 8.357 0.936 0.297 1.00 0.00 N ATOM 1720 CA GLU A 112 7.436 0.982 1.426 1.00 0.00 C ATOM 1721 C GLU A 112 6.242 1.881 1.123 1.00 0.00 C ATOM 1722 O GLU A 112 6.389 2.944 0.519 1.00 0.00 O ATOM 1723 CB GLU A 112 8.159 1.479 2.680 1.00 0.00 C ATOM 1724 CG GLU A 112 7.760 0.738 3.946 1.00 0.00 C ATOM 1725 CD GLU A 112 7.522 1.670 5.118 1.00 0.00 C ATOM 1726 OE1 GLU A 112 7.997 2.824 5.065 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 6.859 1.246 6.088 1.00 0.00 O ATOM 0 H GLU A 112 9.049 1.685 0.287 1.00 0.00 H new ATOM 0 HA GLU A 112 7.068 -0.029 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.234 1.378 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.954 2.541 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.854 0.162 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.542 0.025 4.207 1.00 0.00 H new ATOM 1734 N ALA A 113 5.060 1.446 1.547 1.00 0.00 N ATOM 1735 CA ALA A 113 3.838 2.209 1.324 1.00 0.00 C ATOM 1736 C ALA A 113 3.054 2.378 2.621 1.00 0.00 C ATOM 1737 O ALA A 113 2.837 1.415 3.357 1.00 0.00 O ATOM 1738 CB ALA A 113 2.977 1.527 0.271 1.00 0.00 C ATOM 0 H ALA A 113 4.923 0.568 2.048 1.00 0.00 H new ATOM 0 HA ALA A 113 4.116 3.200 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.067 2.107 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.531 1.461 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.714 0.525 0.609 1.00 0.00 H new ATOM 1744 N LYS A 114 2.626 3.608 2.893 1.00 0.00 N ATOM 1745 CA LYS A 114 1.860 3.897 4.101 1.00 0.00 C ATOM 1746 C LYS A 114 0.502 4.496 3.751 1.00 0.00 C ATOM 1747 O LYS A 114 0.420 5.578 3.169 1.00 0.00 O ATOM 1748 CB LYS A 114 2.634 4.848 5.020 1.00 0.00 C ATOM 1749 CG LYS A 114 3.313 5.992 4.287 1.00 0.00 C ATOM 1750 CD LYS A 114 4.443 6.590 5.111 1.00 0.00 C ATOM 1751 CE LYS A 114 5.762 5.882 4.848 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.683 6.712 4.023 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.796 4.417 2.296 1.00 0.00 H new ATOM 0 HA LYS A 114 1.699 2.957 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.949 5.260 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.388 4.279 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.706 5.634 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.580 6.765 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.545 7.649 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.197 6.521 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.241 5.643 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.572 4.937 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.668 6.462 4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.500 6.536 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.525 7.718 4.233 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.562 3.781 4.105 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.918 4.236 3.825 1.00 0.00 C ATOM 1768 C VAL A 115 -2.612 4.716 5.096 1.00 0.00 C ATOM 1769 O VAL A 115 -2.326 4.234 6.191 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.764 3.119 3.184 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.097 3.668 2.699 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -2.003 2.461 2.043 1.00 0.00 C ATOM 0 H VAL A 115 -0.510 2.883 4.587 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.833 5.067 3.124 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.965 2.361 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.680 2.864 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.646 4.087 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.921 4.447 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.616 1.675 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.769 3.207 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.078 2.029 2.424 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.523 5.671 4.940 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.258 6.221 6.074 1.00 0.00 C ATOM 1784 C TRP A 116 -5.762 6.074 5.872 1.00 0.00 C ATOM 1785 O TRP A 116 -6.264 6.202 4.754 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.899 7.694 6.270 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.526 8.307 7.484 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.494 7.822 8.760 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.280 9.523 7.535 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.182 8.663 9.602 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.674 9.715 8.873 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.660 10.470 6.579 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.428 10.814 9.277 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.409 11.560 6.981 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.785 11.725 8.320 1.00 0.00 C ATOM 0 H TRP A 116 -3.770 6.080 4.039 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.975 5.662 6.966 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.816 7.789 6.344 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.209 8.255 5.389 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.000 6.911 9.063 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.306 8.527 10.605 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.373 10.352 5.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.721 10.943 10.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.709 12.297 6.250 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.368 12.589 8.603 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.474 5.805 6.962 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.922 5.640 6.911 1.00 0.00 C ATOM 1808 C GLU A 117 -8.559 6.019 8.244 1.00 0.00 C ATOM 1809 O GLU A 117 -8.222 5.456 9.285 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.280 4.195 6.555 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.777 3.934 6.498 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.128 2.735 5.639 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.297 1.808 5.546 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -11.234 2.724 5.059 1.00 0.00 O1- ATOM 0 H GLU A 117 -6.071 5.697 7.893 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.311 6.304 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.840 3.948 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.831 3.527 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.153 3.775 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.281 4.817 6.106 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.480 6.977 8.206 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.161 7.429 9.412 1.00 0.00 C ATOM 1823 C GLN A 118 -11.527 6.764 9.546 1.00 0.00 C ATOM 1824 O GLN A 118 -11.972 6.049 8.648 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.322 8.950 9.392 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.146 9.684 8.768 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.291 9.849 7.267 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.245 10.461 6.788 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.341 9.302 6.517 1.00 0.00 N ATOM 0 H GLN A 118 -9.771 7.454 7.353 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.553 7.146 10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.229 9.203 8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.459 9.305 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.049 10.666 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.227 9.139 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.568 8.803 6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.385 9.381 5.501 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.188 7.003 10.675 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.504 6.428 10.927 1.00 0.00 C ATOM 1840 C VAL A 119 -14.571 7.515 11.011 1.00 0.00 C ATOM 1841 O VAL A 119 -15.696 7.333 10.545 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.515 5.603 12.230 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.202 6.486 13.429 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.853 4.900 12.409 1.00 0.00 C ATOM 0 H VAL A 119 -11.833 7.591 11.429 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.730 5.769 10.089 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.738 4.841 12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.215 5.884 14.338 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.216 6.933 13.304 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.951 7.274 13.506 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.840 4.323 13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.650 5.642 12.455 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.028 4.231 11.567 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.210 8.646 11.608 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.135 9.765 11.753 1.00 0.00 C ATOM 1856 C TRP A 120 -15.171 10.617 10.487 1.00 0.00 C ATOM 1857 O TRP A 120 -16.127 11.355 10.252 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.739 10.630 12.950 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.322 11.111 12.890 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.859 12.220 12.243 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.181 10.495 13.498 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.501 12.333 12.413 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.061 11.286 13.180 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.998 9.352 14.282 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.778 10.970 13.618 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.724 9.040 14.716 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.628 9.846 14.384 1.00 0.00 C ATOM 0 H TRP A 120 -13.283 8.812 12.000 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.131 9.356 11.920 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.406 11.491 13.004 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.883 10.058 13.866 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.471 12.908 11.679 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.915 13.075 12.031 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.837 8.724 14.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.931 11.590 13.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.571 8.159 15.322 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.645 9.575 14.740 1.00 0.00 H new ATOM 1878 N MET A 121 -14.124 10.509 9.673 1.00 0.00 N ATOM 1879 CA MET A 121 -14.041 11.269 8.432 1.00 0.00 C ATOM 1880 C MET A 121 -14.473 10.414 7.245 1.00 0.00 C ATOM 1881 O MET A 121 -14.910 10.934 6.218 1.00 0.00 O ATOM 1882 CB MET A 121 -12.614 11.779 8.216 1.00 0.00 C ATOM 1883 CG MET A 121 -12.444 12.594 6.943 1.00 0.00 C ATOM 1884 SD MET A 121 -12.036 14.321 7.269 1.00 0.00 S ATOM 1885 CE MET A 121 -10.507 14.486 6.352 1.00 0.00 C ATOM 0 H MET A 121 -13.323 9.903 9.851 1.00 0.00 H new ATOM 0 HA MET A 121 -14.715 12.122 8.509 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.322 12.390 9.070 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.934 10.928 8.186 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.658 12.148 6.334 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.364 12.546 6.361 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.128 15.503 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.771 13.783 6.742 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.690 14.273 5.299 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.349 9.098 7.394 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.726 8.168 6.338 1.00 0.00 C ATOM 1897 C ASN A 122 -13.877 8.392 5.090 1.00 0.00 C ATOM 1898 O ASN A 122 -14.393 8.421 3.972 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.210 8.321 5.999 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.096 7.464 6.881 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.932 7.597 8.192 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.919 6.691 6.390 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.989 8.653 8.238 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.549 7.155 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.498 9.367 6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.371 8.051 4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -18.011 6.621 5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.508 6.121 6.997 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.573 8.549 5.290 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.651 8.769 4.182 1.00 0.00 C ATOM 1911 C PHE A 123 -10.454 7.829 4.276 1.00 0.00 C ATOM 1912 O PHE A 123 -9.916 7.599 5.359 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.175 10.224 4.171 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.212 10.857 2.809 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.524 10.290 1.748 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.934 12.019 2.590 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.556 10.870 0.494 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.969 12.604 1.339 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.279 12.029 0.289 1.00 0.00 C ATOM 0 H PHE A 123 -12.131 8.528 6.209 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.180 8.560 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.797 10.806 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.156 10.267 4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.956 9.384 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.476 12.473 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -10.016 10.418 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.535 13.510 1.182 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.305 12.485 -0.690 1.00 0.00 H new ATOM 1929 N ARG A 124 -10.043 7.287 3.133 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.909 6.372 3.084 1.00 0.00 C ATOM 1931 C ARG A 124 -8.119 6.558 1.793 1.00 0.00 C ATOM 1932 O ARG A 124 -8.681 6.517 0.699 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.390 4.923 3.196 1.00 0.00 C ATOM 1934 CG ARG A 124 -8.265 3.903 3.141 1.00 0.00 C ATOM 1935 CD ARG A 124 -8.013 3.428 1.719 1.00 0.00 C ATOM 1936 NE ARG A 124 -7.233 2.193 1.685 1.00 0.00 N ATOM 1937 CZ ARG A 124 -7.689 1.016 2.108 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -8.919 0.910 2.596 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -6.914 -0.058 2.043 1.00 0.00 N ATOM 0 H ARG A 124 -10.479 7.466 2.229 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.255 6.596 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.934 4.801 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -10.094 4.719 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.354 4.343 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.515 3.050 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.967 3.269 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -7.486 4.205 1.165 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.283 2.235 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.520 1.733 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.263 0.006 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.968 0.018 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -7.264 -0.960 2.367 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.812 6.764 1.927 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.950 6.956 0.766 1.00 0.00 C ATOM 1955 C GLN A 125 -4.483 6.749 1.129 1.00 0.00 C ATOM 1956 O GLN A 125 -4.141 6.574 2.299 1.00 0.00 O ATOM 1957 CB GLN A 125 -6.149 8.357 0.183 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.732 9.473 1.127 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.670 9.618 2.310 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.821 10.025 2.157 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.180 9.283 3.498 1.00 0.00 N ATOM 0 H GLN A 125 -6.328 6.802 2.824 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.226 6.213 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.577 8.442 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.199 8.487 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.723 9.278 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.697 10.414 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.219 8.950 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.765 9.359 4.330 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.620 6.775 0.118 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.188 6.595 0.328 1.00 0.00 C ATOM 1972 C LEU A 126 -1.563 7.867 0.890 1.00 0.00 C ATOM 1973 O LEU A 126 -1.901 8.974 0.471 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.503 6.208 -0.986 1.00 0.00 C ATOM 1975 CG LEU A 126 0.026 6.145 -0.930 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.536 4.885 -1.614 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.635 7.384 -1.569 1.00 0.00 C ATOM 0 H LEU A 126 -3.888 6.919 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.046 5.791 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.880 5.235 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.793 6.925 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 126 0.330 6.113 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.625 4.859 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.128 4.008 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.221 4.885 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.722 7.322 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.322 7.447 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.298 8.272 -1.034 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.653 7.703 1.844 1.00 0.00 N ATOM 1990 CA GLN A 127 0.014 8.841 2.466 1.00 0.00 C ATOM 1991 C GLN A 127 1.381 9.092 1.838 1.00 0.00 C ATOM 1992 O GLN A 127 1.648 10.180 1.327 1.00 0.00 O ATOM 1993 CB GLN A 127 0.163 8.608 3.972 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.858 9.362 4.811 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.268 9.252 4.261 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -3.035 10.214 4.293 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.617 8.075 3.754 1.00 0.00 N ATOM 0 H GLN A 127 -0.361 6.794 2.203 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.603 9.724 2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.072 7.541 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.165 8.907 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.840 8.977 5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.574 10.413 4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.949 7.304 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.553 7.942 3.371 1.00 0.00 H new ATOM 2006 N GLU A 128 2.246 8.084 1.883 1.00 0.00 N ATOM 2007 CA GLU A 128 3.586 8.208 1.321 1.00 0.00 C ATOM 2008 C GLU A 128 4.074 6.880 0.751 1.00 0.00 C ATOM 2009 O GLU A 128 3.604 5.810 1.142 1.00 0.00 O ATOM 2010 CB GLU A 128 4.573 8.702 2.385 1.00 0.00 C ATOM 2011 CG GLU A 128 3.974 9.687 3.377 1.00 0.00 C ATOM 2012 CD GLU A 128 3.784 11.069 2.783 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.501 11.405 1.817 1.00 0.00 O ATOM 2014 OE2 GLU A 128 2.917 11.816 3.284 1.00 0.00 O1- ATOM 0 H GLU A 128 2.044 7.176 2.301 1.00 0.00 H new ATOM 0 HA GLU A 128 3.534 8.935 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.961 7.843 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.421 9.173 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.012 9.309 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.622 9.757 4.251 1.00 0.00 H new ATOM 2021 N PHE A 129 5.026 6.964 -0.172 1.00 0.00 N ATOM 2022 CA PHE A 129 5.599 5.781 -0.802 1.00 0.00 C ATOM 2023 C PHE A 129 7.105 5.948 -0.970 1.00 0.00 C ATOM 2024 O PHE A 129 7.563 6.714 -1.818 1.00 0.00 O ATOM 2025 CB PHE A 129 4.943 5.531 -2.162 1.00 0.00 C ATOM 2026 CG PHE A 129 4.996 4.096 -2.601 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.073 3.620 -3.332 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.969 3.222 -2.283 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.124 2.300 -3.738 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.014 1.901 -2.686 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.093 1.439 -3.414 1.00 0.00 C ATOM 0 H PHE A 129 5.419 7.846 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 129 5.410 4.921 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.902 5.850 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.435 6.150 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.882 4.289 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.123 3.577 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.969 1.942 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.206 1.231 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.131 0.407 -3.729 1.00 0.00 H new ATOM 2041 N THR A 130 7.872 5.234 -0.152 1.00 0.00 N ATOM 2042 CA THR A 130 9.328 5.314 -0.208 1.00 0.00 C ATOM 2043 C THR A 130 9.910 4.147 -0.998 1.00 0.00 C ATOM 2044 O THR A 130 9.338 3.059 -1.029 1.00 0.00 O ATOM 2045 CB THR A 130 9.913 5.328 1.206 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.925 4.024 1.758 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.153 6.224 2.162 1.00 0.00 C ATOM 0 H THR A 130 7.511 4.595 0.556 1.00 0.00 H new ATOM 0 HA THR A 130 9.595 6.241 -0.716 1.00 0.00 H new ATOM 0 HB THR A 130 10.924 5.719 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.304 4.055 2.661 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.621 6.187 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.169 7.249 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.121 5.882 2.238 1.00 0.00 H new ATOM 2055 N TYR A 131 11.052 4.384 -1.636 1.00 0.00 N ATOM 2056 CA TYR A 131 11.712 3.352 -2.428 1.00 0.00 C ATOM 2057 C TYR A 131 12.961 2.837 -1.719 1.00 0.00 C ATOM 2058 O TYR A 131 13.956 3.551 -1.597 1.00 0.00 O ATOM 2059 CB TYR A 131 12.083 3.898 -3.807 1.00 0.00 C ATOM 2060 CG TYR A 131 12.907 5.165 -3.756 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.299 6.408 -3.637 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.294 5.117 -3.828 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.049 7.568 -3.590 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.051 6.273 -3.781 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.424 7.495 -3.663 1.00 0.00 C ATOM 2066 OH TYR A 131 15.174 8.648 -3.616 1.00 0.00 O ATOM 0 H TYR A 131 11.539 5.280 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 131 11.017 2.521 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.638 3.135 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.170 4.091 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.222 6.469 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.788 4.161 -3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.561 8.527 -3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.128 6.219 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 131 16.126 8.422 -3.678 1.00 0.00 H new ATOM 2076 N LEU A 132 12.900 1.594 -1.254 1.00 0.00 N ATOM 2077 CA LEU A 132 14.025 0.982 -0.556 1.00 0.00 C ATOM 2078 C LEU A 132 14.935 0.242 -1.531 1.00 0.00 C ATOM 2079 O LEU A 132 14.768 0.336 -2.747 1.00 0.00 O ATOM 2080 CB LEU A 132 13.526 0.018 0.524 1.00 0.00 C ATOM 2081 CG LEU A 132 12.214 0.418 1.203 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.893 -0.534 2.345 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.290 1.852 1.708 1.00 0.00 C ATOM 0 H LEU A 132 12.083 0.990 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 132 14.599 1.779 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.399 -0.968 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.297 -0.076 1.288 1.00 0.00 H new ATOM 0 HG LEU A 132 11.412 0.355 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.957 -0.234 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.796 -1.548 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.696 -0.503 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.348 2.119 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.103 1.941 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.473 2.524 0.869 1.00 0.00 H new ATOM 2095 N GLY A 133 15.898 -0.497 -0.987 1.00 0.00 N ATOM 2096 CA GLY A 133 16.821 -1.244 -1.821 1.00 0.00 C ATOM 2097 C GLY A 133 16.477 -2.719 -1.889 1.00 0.00 C ATOM 2098 O GLY A 133 17.035 -3.527 -1.147 1.00 0.00 O ATOM 0 H GLY A 133 16.055 -0.591 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 133 16.816 -0.826 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.833 -1.128 -1.433 1.00 0.00 H new ATOM 2102 N ASP A 134 15.552 -3.066 -2.783 1.00 0.00 N ATOM 2103 CA ASP A 134 15.117 -4.451 -2.962 1.00 0.00 C ATOM 2104 C ASP A 134 14.804 -5.120 -1.624 1.00 0.00 C ATOM 2105 O ASP A 134 14.879 -4.491 -0.568 1.00 0.00 O ATOM 2106 CB ASP A 134 16.180 -5.255 -3.720 1.00 0.00 C ATOM 2107 CG ASP A 134 17.431 -5.503 -2.899 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.480 -6.530 -2.189 1.00 0.00 O ATOM 2109 OD2 ASP A 134 18.360 -4.671 -2.965 1.00 0.00 O1- ATOM 0 H ASP A 134 15.086 -2.401 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 134 14.199 -4.433 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.756 -6.212 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.450 -4.722 -4.632 1.00 0.00 H new ATOM 2114 N ALA A 135 14.446 -6.399 -1.679 1.00 0.00 N ATOM 2115 CA ALA A 135 14.118 -7.153 -0.475 1.00 0.00 C ATOM 2116 C ALA A 135 14.963 -8.418 -0.372 1.00 0.00 C ATOM 2117 O ALA A 135 15.919 -8.556 -1.164 1.00 0.00 O ATOM 2118 CB ALA A 135 12.637 -7.503 -0.459 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.663 -9.260 0.500 1.00 0.00 O ATOM 0 H ALA A 135 14.376 -6.934 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 135 14.342 -6.527 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.406 -8.066 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.046 -6.587 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.396 -8.107 -1.334 1.00 0.00 H new TER 2125 ALA A 135