USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 TYR OH : rot 131:sc= -2.68! USER MOD Set 1.2: A 71 ASN : amide:sc= -2.94! C(o=-5.6!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-2.2) 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 K(o=0,f=-0.75) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.171 F(o=-0.95,f=-0.17) USER MOD Single : A 55 ASN : amide:sc= 0.595 K(o=0.59,f=-4.3!) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= -0.705 (180deg=-0.738) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.84 F(o=-2.7,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.296 F(o=-1.3,f=-0.3) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0165 F(o=-0.73,f=-0.017) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.17 F(o=-3.8,f=-2.2) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 144:sc= -2.95 (180deg=-5.37!) USER MOD Single : A 95 MET CE :methyl -159:sc= -3.41! (180deg=-4.82!) USER MOD Single : A 96 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.93) USER MOD Single : A 97 TYR OH : rot -7:sc= 0.734 USER MOD Single : A 99 THR OG1 : rot 180:sc= -2.2 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= -1.55 (180deg=-1.91) USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0139) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.289 USER MOD Single : A 114 LYS NZ :NH3+ -158:sc= -0.733 (180deg=-0.765) USER MOD Single : A 118 GLN : amide:sc= -8.25 K(o=-8.2,f=-15!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.16 F(o=-0.91,f=-0.16) USER MOD Single : A 125 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.1!) USER MOD Single : A 127 GLN : amide:sc= -7.7! C(o=-7.7!,f=-14!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 5.949 7.453 11.764 1.00 0.00 N ATOM 75 CA PRO A 6 4.556 7.633 12.178 1.00 0.00 C ATOM 76 C PRO A 6 4.340 8.938 12.937 1.00 0.00 C ATOM 77 O PRO A 6 5.288 9.677 13.204 1.00 0.00 O ATOM 78 CB PRO A 6 4.308 6.434 13.091 1.00 0.00 C ATOM 79 CG PRO A 6 5.642 6.126 13.678 1.00 0.00 C ATOM 80 CD PRO A 6 6.661 6.489 12.628 1.00 0.00 C ATOM 0 HA PRO A 6 3.878 7.688 11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.579 6.670 13.866 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.915 5.585 12.532 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.806 6.697 14.592 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.716 5.071 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.552 6.932 13.072 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.986 5.613 12.067 1.00 0.00 H new ATOM 88 N LYS A 7 3.087 9.216 13.281 1.00 0.00 N ATOM 89 CA LYS A 7 2.745 10.432 14.010 1.00 0.00 C ATOM 90 C LYS A 7 3.111 11.672 13.200 1.00 0.00 C ATOM 91 O LYS A 7 4.097 12.349 13.492 1.00 0.00 O ATOM 92 CB LYS A 7 3.461 10.460 15.362 1.00 0.00 C ATOM 93 CG LYS A 7 2.774 11.337 16.396 1.00 0.00 C ATOM 94 CD LYS A 7 3.608 11.466 17.660 1.00 0.00 C ATOM 95 CE LYS A 7 2.733 11.508 18.902 1.00 0.00 C ATOM 96 NZ LYS A 7 3.502 11.922 20.109 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.291 8.615 13.067 1.00 0.00 H new ATOM 0 HA LYS A 7 1.668 10.435 14.178 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.530 9.443 15.748 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.481 10.815 15.216 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.595 12.326 15.974 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.800 10.915 16.643 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.299 10.626 17.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.212 12.372 17.608 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.908 12.202 18.742 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.294 10.525 19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.870 11.938 20.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.274 11.246 20.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.900 12.871 19.959 1.00 0.00 H new ATOM 110 N LYS A 8 2.309 11.964 12.181 1.00 0.00 N ATOM 111 CA LYS A 8 2.548 13.123 11.328 1.00 0.00 C ATOM 112 C LYS A 8 1.444 13.264 10.281 1.00 0.00 C ATOM 113 O LYS A 8 0.832 12.276 9.875 1.00 0.00 O ATOM 114 CB LYS A 8 3.911 13.005 10.640 1.00 0.00 C ATOM 115 CG LYS A 8 4.980 13.894 11.255 1.00 0.00 C ATOM 116 CD LYS A 8 6.337 13.209 11.264 1.00 0.00 C ATOM 117 CE LYS A 8 7.126 13.518 10.002 1.00 0.00 C ATOM 118 NZ LYS A 8 8.574 13.208 10.162 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.488 11.414 11.926 1.00 0.00 H new ATOM 0 HA LYS A 8 2.544 14.014 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.243 11.968 10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.800 13.260 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.046 14.827 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.696 14.154 12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.904 13.533 12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.201 12.131 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.721 12.941 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.006 14.571 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.077 13.433 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.967 13.777 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.691 12.198 10.379 1.00 0.00 H new ATOM 132 N PRO A 9 1.176 14.501 9.829 1.00 0.00 N ATOM 133 CA PRO A 9 0.141 14.767 8.824 1.00 0.00 C ATOM 134 C PRO A 9 0.301 13.895 7.584 1.00 0.00 C ATOM 135 O PRO A 9 1.219 13.080 7.500 1.00 0.00 O ATOM 136 CB PRO A 9 0.355 16.241 8.473 1.00 0.00 C ATOM 137 CG PRO A 9 1.005 16.827 9.677 1.00 0.00 C ATOM 138 CD PRO A 9 1.859 15.735 10.260 1.00 0.00 C ATOM 0 HA PRO A 9 -0.858 14.546 9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.985 16.350 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.590 16.737 8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.609 17.695 9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.260 17.166 10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.881 15.781 9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.915 15.805 11.346 1.00 0.00 H new ATOM 146 N VAL A 10 -0.599 14.073 6.621 1.00 0.00 N ATOM 147 CA VAL A 10 -0.557 13.302 5.385 1.00 0.00 C ATOM 148 C VAL A 10 -0.747 14.205 4.166 1.00 0.00 C ATOM 149 O VAL A 10 -1.319 15.290 4.271 1.00 0.00 O ATOM 150 CB VAL A 10 -1.631 12.192 5.378 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.597 11.409 6.681 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.016 12.776 5.139 1.00 0.00 C ATOM 0 H VAL A 10 -1.365 14.744 6.674 1.00 0.00 H new ATOM 0 HA VAL A 10 0.427 12.837 5.331 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.407 11.509 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.360 10.631 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.616 10.951 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.790 12.083 7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.754 11.974 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.253 13.487 5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.034 13.286 4.176 1.00 0.00 H new ATOM 162 N PRO A 11 -0.266 13.766 2.991 1.00 0.00 N ATOM 163 CA PRO A 11 -0.384 14.538 1.751 1.00 0.00 C ATOM 164 C PRO A 11 -1.799 14.510 1.185 1.00 0.00 C ATOM 165 O PRO A 11 -2.738 14.079 1.854 1.00 0.00 O ATOM 166 CB PRO A 11 0.585 13.829 0.806 1.00 0.00 C ATOM 167 CG PRO A 11 0.617 12.420 1.288 1.00 0.00 C ATOM 168 CD PRO A 11 0.431 12.483 2.781 1.00 0.00 C ATOM 0 HA PRO A 11 -0.160 15.594 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.244 13.887 -0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.576 14.282 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.173 11.831 0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.563 11.943 1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.158 11.642 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.386 12.455 3.305 1.00 0.00 H new ATOM 176 N ALA A 12 -1.945 14.972 -0.053 1.00 0.00 N ATOM 177 CA ALA A 12 -3.246 15.000 -0.710 1.00 0.00 C ATOM 178 C ALA A 12 -3.201 14.268 -2.048 1.00 0.00 C ATOM 179 O ALA A 12 -2.446 14.642 -2.945 1.00 0.00 O ATOM 180 CB ALA A 12 -3.707 16.436 -0.908 1.00 0.00 C ATOM 0 H ALA A 12 -1.178 15.332 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.961 14.486 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.680 16.441 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.787 16.929 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.985 16.968 -1.527 1.00 0.00 H new ATOM 186 N ALA A 13 -4.014 13.225 -2.174 1.00 0.00 N ATOM 187 CA ALA A 13 -4.067 12.441 -3.402 1.00 0.00 C ATOM 188 C ALA A 13 -5.156 11.376 -3.327 1.00 0.00 C ATOM 189 O ALA A 13 -5.385 10.781 -2.275 1.00 0.00 O ATOM 190 CB ALA A 13 -2.715 11.797 -3.675 1.00 0.00 C ATOM 0 H ALA A 13 -4.645 12.903 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.310 13.115 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.769 11.215 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.957 12.573 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.450 11.142 -2.845 1.00 0.00 H new ATOM 196 N GLU A 14 -5.824 11.142 -4.452 1.00 0.00 N ATOM 197 CA GLU A 14 -6.890 10.148 -4.515 1.00 0.00 C ATOM 198 C GLU A 14 -7.438 10.027 -5.933 1.00 0.00 C ATOM 199 O GLU A 14 -8.493 10.577 -6.250 1.00 0.00 O ATOM 200 CB GLU A 14 -8.018 10.517 -3.549 1.00 0.00 C ATOM 201 CG GLU A 14 -9.146 9.499 -3.514 1.00 0.00 C ATOM 202 CD GLU A 14 -8.945 8.444 -2.443 1.00 0.00 C ATOM 203 OE1 GLU A 14 -7.787 8.031 -2.226 1.00 0.00 O ATOM 204 OE2 GLU A 14 -9.947 8.031 -1.822 1.00 0.00 O1- ATOM 0 H GLU A 14 -5.646 11.627 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.472 9.185 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.605 10.624 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.425 11.488 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.090 10.014 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.223 9.014 -4.487 1.00 0.00 H new ATOM 211 N GLU A 15 -6.716 9.304 -6.782 1.00 0.00 N ATOM 212 CA GLU A 15 -7.130 9.111 -8.166 1.00 0.00 C ATOM 213 C GLU A 15 -6.279 8.042 -8.846 1.00 0.00 C ATOM 214 O GLU A 15 -5.194 7.705 -8.372 1.00 0.00 O ATOM 215 CB GLU A 15 -7.029 10.427 -8.939 1.00 0.00 C ATOM 216 CG GLU A 15 -8.305 11.253 -8.904 1.00 0.00 C ATOM 217 CD GLU A 15 -8.514 12.057 -10.172 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.850 13.103 -10.328 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.341 11.640 -11.010 1.00 0.00 O1- ATOM 0 H GLU A 15 -5.841 8.842 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.168 8.777 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.212 11.019 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.775 10.211 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.158 10.591 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.272 11.930 -8.050 1.00 0.00 H new ATOM 226 N ALA A 16 -6.779 7.514 -9.958 1.00 0.00 N ATOM 227 CA ALA A 16 -6.065 6.484 -10.703 1.00 0.00 C ATOM 228 C ALA A 16 -5.542 7.029 -12.029 1.00 0.00 C ATOM 229 O ALA A 16 -5.972 8.087 -12.488 1.00 0.00 O ATOM 230 CB ALA A 16 -6.970 5.285 -10.943 1.00 0.00 C ATOM 0 H ALA A 16 -7.676 7.782 -10.363 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.209 6.166 -10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.425 4.523 -11.500 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.291 4.874 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.844 5.597 -11.515 1.00 0.00 H new ATOM 236 N PRO A 17 -4.601 6.310 -12.666 1.00 0.00 N ATOM 237 CA PRO A 17 -4.020 6.727 -13.945 1.00 0.00 C ATOM 238 C PRO A 17 -5.003 6.582 -15.102 1.00 0.00 C ATOM 239 O PRO A 17 -5.595 5.521 -15.298 1.00 0.00 O ATOM 240 CB PRO A 17 -2.838 5.774 -14.125 1.00 0.00 C ATOM 241 CG PRO A 17 -3.215 4.555 -13.358 1.00 0.00 C ATOM 242 CD PRO A 17 -4.032 5.035 -12.189 1.00 0.00 C ATOM 0 HA PRO A 17 -3.739 7.780 -13.941 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.672 5.544 -15.177 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.915 6.212 -13.745 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.789 3.866 -13.978 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.329 4.017 -13.020 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.812 4.321 -11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.416 5.178 -11.301 1.00 0.00 H new ATOM 499 N GLU A 36 -8.995 -1.071 -7.566 1.00 0.00 N ATOM 500 CA GLU A 36 -8.226 -1.845 -6.598 1.00 0.00 C ATOM 501 C GLU A 36 -8.857 -1.762 -5.210 1.00 0.00 C ATOM 502 O GLU A 36 -8.501 -0.897 -4.409 1.00 0.00 O ATOM 503 CB GLU A 36 -6.781 -1.346 -6.546 1.00 0.00 C ATOM 504 CG GLU A 36 -5.913 -1.877 -7.675 1.00 0.00 C ATOM 505 CD GLU A 36 -6.507 -1.609 -9.043 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.087 -0.520 -9.237 1.00 0.00 O ATOM 507 OE2 GLU A 36 -6.393 -2.489 -9.922 1.00 0.00 O1- ATOM 0 HA GLU A 36 -8.231 -2.887 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.780 -0.257 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.339 -1.636 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.926 -1.419 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.774 -2.951 -7.547 1.00 0.00 H new ATOM 514 N PRO A 37 -9.805 -2.665 -4.906 1.00 0.00 N ATOM 515 CA PRO A 37 -10.485 -2.690 -3.607 1.00 0.00 C ATOM 516 C PRO A 37 -9.504 -2.709 -2.439 1.00 0.00 C ATOM 517 O PRO A 37 -8.291 -2.629 -2.634 1.00 0.00 O ATOM 518 CB PRO A 37 -11.289 -3.991 -3.650 1.00 0.00 C ATOM 519 CG PRO A 37 -11.510 -4.252 -5.099 1.00 0.00 C ATOM 520 CD PRO A 37 -10.288 -3.731 -5.804 1.00 0.00 C ATOM 0 HA PRO A 37 -11.096 -1.801 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.744 -4.809 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.235 -3.890 -3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.645 -5.317 -5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.410 -3.749 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.539 -4.511 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.529 -3.344 -6.794 1.00 0.00 H new ATOM 528 N ARG A 38 -10.037 -2.815 -1.227 1.00 0.00 N ATOM 529 CA ARG A 38 -9.208 -2.845 -0.027 1.00 0.00 C ATOM 530 C ARG A 38 -9.927 -3.558 1.114 1.00 0.00 C ATOM 531 O ARG A 38 -11.059 -4.015 0.957 1.00 0.00 O ATOM 532 CB ARG A 38 -8.838 -1.423 0.398 1.00 0.00 C ATOM 533 CG ARG A 38 -10.041 -0.522 0.622 1.00 0.00 C ATOM 534 CD ARG A 38 -10.518 -0.577 2.065 1.00 0.00 C ATOM 535 NE ARG A 38 -11.974 -0.520 2.163 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.698 0.545 1.827 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.106 1.643 1.372 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -14.019 0.513 1.947 1.00 0.00 N ATOM 0 H ARG A 38 -11.039 -2.882 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.297 -3.396 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.252 -1.468 1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.199 -0.979 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.781 0.504 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.851 -0.824 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.159 -1.495 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.084 0.254 2.622 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.465 -1.345 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.091 1.674 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.666 2.456 1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.479 -0.328 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.574 1.329 1.690 1.00 0.00 H new ATOM 552 N GLU A 39 -9.262 -3.649 2.261 1.00 0.00 N ATOM 553 CA GLU A 39 -9.838 -4.306 3.428 1.00 0.00 C ATOM 554 C GLU A 39 -9.693 -3.433 4.671 1.00 0.00 C ATOM 555 O GLU A 39 -9.203 -2.306 4.596 1.00 0.00 O ATOM 556 CB GLU A 39 -9.167 -5.661 3.660 1.00 0.00 C ATOM 557 CG GLU A 39 -9.863 -6.813 2.956 1.00 0.00 C ATOM 558 CD GLU A 39 -11.330 -6.921 3.325 1.00 0.00 C ATOM 559 OE1 GLU A 39 -11.643 -7.617 4.313 1.00 0.00 O ATOM 560 OE2 GLU A 39 -12.164 -6.310 2.625 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.324 -3.276 2.407 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.900 -4.463 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.133 -5.608 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.139 -5.864 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.772 -6.683 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.359 -7.746 3.208 1.00 0.00 H new ATOM 567 N HIS A 40 -10.121 -3.962 5.812 1.00 0.00 N ATOM 568 CA HIS A 40 -10.038 -3.231 7.072 1.00 0.00 C ATOM 569 C HIS A 40 -9.417 -4.098 8.165 1.00 0.00 C ATOM 570 O HIS A 40 -10.126 -4.778 8.907 1.00 0.00 O ATOM 571 CB HIS A 40 -11.428 -2.762 7.506 1.00 0.00 C ATOM 572 CG HIS A 40 -11.979 -1.658 6.658 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.087 -0.355 7.097 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.453 -1.666 5.389 1.00 0.00 C ATOM 575 CE1 HIS A 40 -12.605 0.390 6.136 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.835 -0.382 5.090 1.00 0.00 N ATOM 0 H HIS A 40 -10.529 -4.894 5.891 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.400 -2.361 6.917 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.114 -3.609 7.476 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.382 -2.425 8.542 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -11.810 -0.019 8.019 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.518 -2.523 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.806 1.449 6.196 1.00 0.00 H new ATOM 585 N PRO A 41 -8.077 -4.085 8.278 1.00 0.00 N ATOM 586 CA PRO A 41 -7.363 -4.873 9.287 1.00 0.00 C ATOM 587 C PRO A 41 -7.595 -4.351 10.701 1.00 0.00 C ATOM 588 O PRO A 41 -8.221 -3.309 10.893 1.00 0.00 O ATOM 589 CB PRO A 41 -5.893 -4.711 8.892 1.00 0.00 C ATOM 590 CG PRO A 41 -5.840 -3.421 8.150 1.00 0.00 C ATOM 591 CD PRO A 41 -7.156 -3.302 7.433 1.00 0.00 C ATOM 0 HA PRO A 41 -7.701 -5.909 9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.247 -4.689 9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.557 -5.540 8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.690 -2.584 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.009 -3.410 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.474 -2.263 7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.100 -3.703 6.421 1.00 0.00 H new ATOM 599 N ILE A 42 -7.087 -5.083 11.687 1.00 0.00 N ATOM 600 CA ILE A 42 -7.239 -4.693 13.084 1.00 0.00 C ATOM 601 C ILE A 42 -6.207 -3.640 13.476 1.00 0.00 C ATOM 602 O ILE A 42 -5.168 -3.505 12.830 1.00 0.00 O ATOM 603 CB ILE A 42 -7.107 -5.909 14.023 1.00 0.00 C ATOM 604 CG1 ILE A 42 -7.389 -5.501 15.470 1.00 0.00 C ATOM 605 CG2 ILE A 42 -5.723 -6.528 13.901 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.757 -6.664 16.366 1.00 0.00 C ATOM 0 H ILE A 42 -6.567 -5.949 11.545 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.238 -4.271 13.190 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.844 -6.656 13.727 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.508 -5.004 15.877 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.200 -4.773 15.482 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.647 -7.385 14.571 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.560 -6.855 12.874 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.969 -5.789 14.171 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.943 -6.300 17.376 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.656 -7.148 15.983 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.938 -7.383 16.384 1.00 0.00 H new ATOM 618 N MET A 43 -6.501 -2.897 14.538 1.00 0.00 N ATOM 619 CA MET A 43 -5.599 -1.855 15.017 1.00 0.00 C ATOM 620 C MET A 43 -4.232 -2.436 15.364 1.00 0.00 C ATOM 621 O MET A 43 -3.989 -3.629 15.185 1.00 0.00 O ATOM 622 CB MET A 43 -6.196 -1.159 16.241 1.00 0.00 C ATOM 623 CG MET A 43 -6.568 -2.115 17.362 1.00 0.00 C ATOM 624 SD MET A 43 -8.084 -1.633 18.212 1.00 0.00 S ATOM 625 CE MET A 43 -9.173 -2.979 17.752 1.00 0.00 C ATOM 0 H MET A 43 -7.357 -2.997 15.084 1.00 0.00 H new ATOM 0 HA MET A 43 -5.471 -1.124 14.218 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.480 -0.430 16.619 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.084 -0.605 15.937 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.688 -3.118 16.954 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.751 -2.160 18.082 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.153 -2.824 18.203 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.273 -3.011 16.667 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.756 -3.922 18.106 1.00 0.00 H new ATOM 635 N GLY A 44 -3.342 -1.583 15.863 1.00 0.00 N ATOM 636 CA GLY A 44 -2.011 -2.030 16.228 1.00 0.00 C ATOM 637 C GLY A 44 -0.997 -0.904 16.213 1.00 0.00 C ATOM 638 O GLY A 44 -1.219 0.133 15.587 1.00 0.00 O ATOM 0 H GLY A 44 -3.519 -0.591 16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.041 -2.475 17.223 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.692 -2.812 15.539 1.00 0.00 H new ATOM 642 N GLY A 45 0.120 -1.106 16.905 1.00 0.00 N ATOM 643 CA GLY A 45 1.155 -0.091 16.956 1.00 0.00 C ATOM 644 C GLY A 45 2.299 -0.380 16.004 1.00 0.00 C ATOM 645 O GLY A 45 2.187 -1.243 15.133 1.00 0.00 O ATOM 0 H GLY A 45 0.326 -1.955 17.431 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.721 0.879 16.713 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.541 -0.022 17.973 1.00 0.00 H new ATOM 649 N ILE A 46 3.402 0.343 16.169 1.00 0.00 N ATOM 650 CA ILE A 46 4.570 0.160 15.317 1.00 0.00 C ATOM 651 C ILE A 46 5.422 -1.011 15.797 1.00 0.00 C ATOM 652 O ILE A 46 6.448 -0.819 16.449 1.00 0.00 O ATOM 653 CB ILE A 46 5.441 1.431 15.274 1.00 0.00 C ATOM 654 CG1 ILE A 46 4.572 2.665 15.025 1.00 0.00 C ATOM 655 CG2 ILE A 46 6.512 1.303 14.201 1.00 0.00 C ATOM 656 CD1 ILE A 46 3.899 2.667 13.669 1.00 0.00 C ATOM 0 H ILE A 46 3.511 1.061 16.885 1.00 0.00 H new ATOM 0 HA ILE A 46 4.199 -0.050 14.314 1.00 0.00 H new ATOM 0 HB ILE A 46 5.934 1.548 16.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.808 2.724 15.801 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.189 3.559 15.117 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.119 2.208 14.183 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.147 0.445 14.421 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.039 1.164 13.229 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.300 3.571 13.562 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.657 2.639 12.886 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.255 1.792 13.581 1.00 0.00 H new ATOM 668 N TYR A 47 4.988 -2.224 15.471 1.00 0.00 N ATOM 669 CA TYR A 47 5.711 -3.427 15.869 1.00 0.00 C ATOM 670 C TYR A 47 5.047 -4.676 15.297 1.00 0.00 C ATOM 671 O TYR A 47 5.710 -5.524 14.699 1.00 0.00 O ATOM 672 CB TYR A 47 5.780 -3.523 17.395 1.00 0.00 C ATOM 673 CG TYR A 47 7.077 -3.008 17.977 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.300 -3.512 17.551 1.00 0.00 C ATOM 675 CD2 TYR A 47 7.079 -2.019 18.952 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.488 -3.044 18.081 1.00 0.00 C ATOM 677 CE2 TYR A 47 8.262 -1.545 19.486 1.00 0.00 C ATOM 678 CZ TYR A 47 9.463 -2.061 19.047 1.00 0.00 C ATOM 679 OH TYR A 47 10.644 -1.592 19.577 1.00 0.00 O ATOM 0 H TYR A 47 4.140 -2.400 14.933 1.00 0.00 H new ATOM 0 HA TYR A 47 6.723 -3.362 15.470 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.951 -2.960 17.824 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.646 -4.563 17.691 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.323 -4.282 16.794 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.140 -1.613 19.299 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.430 -3.446 17.740 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.246 -0.775 20.243 1.00 0.00 H new ATOM 0 HH TYR A 47 10.451 -0.901 20.245 1.00 0.00 H new ATOM 689 N ASP A 48 3.736 -4.782 15.486 1.00 0.00 N ATOM 690 CA ASP A 48 2.983 -5.928 14.988 1.00 0.00 C ATOM 691 C ASP A 48 3.109 -6.047 13.473 1.00 0.00 C ATOM 692 O ASP A 48 3.315 -5.052 12.777 1.00 0.00 O ATOM 693 CB ASP A 48 1.509 -5.805 15.381 1.00 0.00 C ATOM 694 CG ASP A 48 1.212 -6.446 16.722 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.233 -7.692 16.802 1.00 0.00 O ATOM 696 OD2 ASP A 48 0.960 -5.702 17.693 1.00 0.00 O1- ATOM 0 H ASP A 48 3.173 -4.089 15.980 1.00 0.00 H new ATOM 0 HA ASP A 48 3.399 -6.828 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.232 -4.751 15.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.891 -6.272 14.614 1.00 0.00 H new ATOM 701 N ALA A 49 2.984 -7.270 12.968 1.00 0.00 N ATOM 702 CA ALA A 49 3.084 -7.519 11.535 1.00 0.00 C ATOM 703 C ALA A 49 2.576 -8.915 11.181 1.00 0.00 C ATOM 704 O ALA A 49 3.276 -9.695 10.534 1.00 0.00 O ATOM 705 CB ALA A 49 4.523 -7.343 11.071 1.00 0.00 C ATOM 0 H ALA A 49 2.813 -8.104 13.530 1.00 0.00 H new ATOM 0 HA ALA A 49 2.455 -6.793 11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.585 -7.532 9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.851 -6.325 11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.165 -8.047 11.601 1.00 0.00 H new ATOM 711 N PRO A 50 1.344 -9.251 11.603 1.00 0.00 N ATOM 712 CA PRO A 50 0.746 -10.560 11.329 1.00 0.00 C ATOM 713 C PRO A 50 0.261 -10.686 9.890 1.00 0.00 C ATOM 714 O PRO A 50 0.345 -11.755 9.285 1.00 0.00 O ATOM 715 CB PRO A 50 -0.433 -10.612 12.297 1.00 0.00 C ATOM 716 CG PRO A 50 -0.830 -9.188 12.481 1.00 0.00 C ATOM 717 CD PRO A 50 0.440 -8.383 12.383 1.00 0.00 C ATOM 0 HA PRO A 50 1.460 -11.373 11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.254 -11.203 11.891 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.148 -11.070 13.244 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.545 -8.881 11.718 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.312 -9.040 13.447 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.272 -7.429 11.884 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.850 -8.160 13.368 1.00 0.00 H new ATOM 725 N LEU A 51 -0.247 -9.586 9.349 1.00 0.00 N ATOM 726 CA LEU A 51 -0.750 -9.565 7.979 1.00 0.00 C ATOM 727 C LEU A 51 -1.823 -10.632 7.775 1.00 0.00 C ATOM 728 O LEU A 51 -1.656 -11.552 6.974 1.00 0.00 O ATOM 729 CB LEU A 51 0.397 -9.777 6.988 1.00 0.00 C ATOM 730 CG LEU A 51 0.169 -9.181 5.598 1.00 0.00 C ATOM 731 CD1 LEU A 51 1.445 -9.247 4.772 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.965 -9.904 4.888 1.00 0.00 C ATOM 0 H LEU A 51 -0.322 -8.694 9.838 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.199 -8.588 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.305 -9.344 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.573 -10.848 6.883 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.110 -8.134 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.263 -8.818 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.232 -8.684 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.755 -10.286 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.113 -9.467 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.715 -10.960 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.881 -9.804 5.470 1.00 0.00 H new ATOM 744 N ASN A 52 -2.924 -10.502 8.507 1.00 0.00 N ATOM 745 CA ASN A 52 -4.024 -11.455 8.409 1.00 0.00 C ATOM 746 C ASN A 52 -4.585 -11.497 6.991 1.00 0.00 C ATOM 747 O ASN A 52 -5.037 -12.541 6.522 1.00 0.00 O ATOM 748 CB ASN A 52 -5.133 -11.089 9.397 1.00 0.00 C ATOM 749 CG ASN A 52 -6.200 -12.161 9.492 1.00 0.00 C ATOM 750 OD1 ASN A 52 -5.912 -13.352 9.374 1.00 0.00 O ATOM 751 ND2 ASN A 52 -7.442 -11.743 9.707 1.00 0.00 N ATOM 0 H ASN A 52 -3.079 -9.746 9.175 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.637 -12.444 8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.698 -10.925 10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.593 -10.149 9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.202 -12.419 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.636 -10.746 9.799 1.00 0.00 H new ATOM 758 N ASN A 53 -4.553 -10.354 6.313 1.00 0.00 N ATOM 759 CA ASN A 53 -5.059 -10.260 4.949 1.00 0.00 C ATOM 760 C ASN A 53 -4.009 -10.724 3.943 1.00 0.00 C ATOM 761 O ASN A 53 -3.615 -9.974 3.049 1.00 0.00 O ATOM 762 CB ASN A 53 -5.483 -8.825 4.640 1.00 0.00 C ATOM 763 CG ASN A 53 -6.875 -8.510 5.152 1.00 0.00 C ATOM 764 OD1 ASN A 53 -7.843 -9.342 4.786 1.00 0.00 O flip ATOM 765 ND2 ASN A 53 -7.079 -7.529 5.868 1.00 0.00 N flip ATOM 0 H ASN A 53 -4.182 -9.480 6.686 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.927 -10.914 4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.769 -8.134 5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.450 -8.663 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.306 -6.916 6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.021 -7.330 6.204 1.00 0.00 H new ATOM 772 N GLU A 54 -3.560 -11.966 4.093 1.00 0.00 N ATOM 773 CA GLU A 54 -2.557 -12.530 3.197 1.00 0.00 C ATOM 774 C GLU A 54 -3.181 -13.533 2.229 1.00 0.00 C ATOM 775 O GLU A 54 -2.477 -14.336 1.617 1.00 0.00 O ATOM 776 CB GLU A 54 -1.446 -13.206 4.003 1.00 0.00 C ATOM 777 CG GLU A 54 -0.057 -12.986 3.428 1.00 0.00 C ATOM 778 CD GLU A 54 1.041 -13.238 4.443 1.00 0.00 C ATOM 779 OE1 GLU A 54 1.325 -14.420 4.729 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 1.616 -12.253 4.952 1.00 0.00 O ATOM 0 H GLU A 54 -3.875 -12.601 4.827 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.132 -11.713 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.470 -12.830 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.644 -14.277 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.086 -13.645 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.022 -11.963 3.059 1.00 0.00 H new ATOM 787 N ASN A 55 -4.504 -13.484 2.093 1.00 0.00 N ATOM 788 CA ASN A 55 -5.213 -14.391 1.197 1.00 0.00 C ATOM 789 C ASN A 55 -4.709 -14.247 -0.235 1.00 0.00 C ATOM 790 O ASN A 55 -4.715 -15.207 -1.005 1.00 0.00 O ATOM 791 CB ASN A 55 -6.718 -14.120 1.250 1.00 0.00 C ATOM 792 CG ASN A 55 -7.046 -12.645 1.126 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.178 -12.118 0.021 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.178 -11.971 2.262 1.00 0.00 N ATOM 0 H ASN A 55 -5.105 -12.827 2.591 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.022 -15.412 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.211 -14.668 0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.120 -14.501 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.398 -10.975 2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.060 -12.449 3.155 1.00 0.00 H new ATOM 801 N GLY A 56 -4.271 -13.042 -0.584 1.00 0.00 N ATOM 802 CA GLY A 56 -3.768 -12.794 -1.923 1.00 0.00 C ATOM 803 C GLY A 56 -4.469 -11.633 -2.600 1.00 0.00 C ATOM 804 O GLY A 56 -3.821 -10.700 -3.076 1.00 0.00 O ATOM 0 H GLY A 56 -4.255 -12.232 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.698 -12.590 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.894 -13.692 -2.527 1.00 0.00 H new ATOM 808 N PHE A 57 -5.795 -11.689 -2.645 1.00 0.00 N ATOM 809 CA PHE A 57 -6.584 -10.634 -3.268 1.00 0.00 C ATOM 810 C PHE A 57 -6.456 -9.329 -2.489 1.00 0.00 C ATOM 811 O PHE A 57 -6.351 -8.252 -3.075 1.00 0.00 O ATOM 812 CB PHE A 57 -8.054 -11.049 -3.353 1.00 0.00 C ATOM 813 CG PHE A 57 -8.794 -10.410 -4.494 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.757 -10.970 -5.761 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.526 -9.250 -4.298 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.437 -10.385 -6.812 1.00 0.00 C ATOM 817 CE2 PHE A 57 -10.208 -8.660 -5.345 1.00 0.00 C ATOM 818 CZ PHE A 57 -10.163 -9.228 -6.604 1.00 0.00 C ATOM 0 H PHE A 57 -6.346 -12.455 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.201 -10.475 -4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.112 -12.133 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.551 -10.790 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.190 -11.874 -5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.564 -8.802 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.401 -10.832 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.775 -7.756 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.694 -8.768 -7.424 1.00 0.00 H new ATOM 828 N ASP A 58 -6.466 -9.435 -1.164 1.00 0.00 N ATOM 829 CA ASP A 58 -6.352 -8.264 -0.303 1.00 0.00 C ATOM 830 C ASP A 58 -4.937 -7.694 -0.341 1.00 0.00 C ATOM 831 O ASP A 58 -4.747 -6.492 -0.523 1.00 0.00 O ATOM 832 CB ASP A 58 -6.730 -8.624 1.135 1.00 0.00 C ATOM 833 CG ASP A 58 -8.221 -8.842 1.303 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.998 -8.260 0.517 1.00 0.00 O ATOM 835 OD2 ASP A 58 -8.611 -9.594 2.220 1.00 0.00 O1- ATOM 0 H ASP A 58 -6.552 -10.320 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.040 -7.504 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.198 -9.527 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.404 -7.827 1.804 1.00 0.00 H new ATOM 840 N LYS A 59 -3.947 -8.565 -0.168 1.00 0.00 N ATOM 841 CA LYS A 59 -2.551 -8.145 -0.182 1.00 0.00 C ATOM 842 C LYS A 59 -2.188 -7.508 -1.521 1.00 0.00 C ATOM 843 O LYS A 59 -1.527 -6.471 -1.569 1.00 0.00 O ATOM 844 CB LYS A 59 -1.632 -9.338 0.107 1.00 0.00 C ATOM 845 CG LYS A 59 -1.473 -10.293 -1.066 1.00 0.00 C ATOM 846 CD LYS A 59 -0.524 -11.433 -0.729 1.00 0.00 C ATOM 847 CE LYS A 59 0.897 -11.125 -1.173 1.00 0.00 C ATOM 848 NZ LYS A 59 1.904 -11.878 -0.375 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.086 -9.564 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.412 -7.398 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.649 -8.965 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.026 -9.889 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.447 -10.698 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.097 -9.748 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.539 -11.615 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.867 -12.348 -1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.010 -11.374 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.084 -10.055 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.861 -11.577 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.759 -11.686 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.797 -12.897 -0.553 1.00 0.00 H new ATOM 862 N GLU A 60 -2.627 -8.138 -2.607 1.00 0.00 N ATOM 863 CA GLU A 60 -2.351 -7.635 -3.947 1.00 0.00 C ATOM 864 C GLU A 60 -3.096 -6.329 -4.202 1.00 0.00 C ATOM 865 O GLU A 60 -2.535 -5.379 -4.748 1.00 0.00 O ATOM 866 CB GLU A 60 -2.746 -8.675 -4.997 1.00 0.00 C ATOM 867 CG GLU A 60 -1.712 -9.773 -5.184 1.00 0.00 C ATOM 868 CD GLU A 60 -1.573 -10.202 -6.631 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.592 -10.197 -7.352 1.00 0.00 O ATOM 870 OE2 GLU A 60 -0.444 -10.543 -7.044 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.175 -8.998 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.281 -7.442 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.696 -9.127 -4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.907 -8.173 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.746 -9.424 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.990 -10.636 -4.578 1.00 0.00 H new ATOM 877 N ASP A 61 -4.363 -6.288 -3.801 1.00 0.00 N ATOM 878 CA ASP A 61 -5.185 -5.098 -3.986 1.00 0.00 C ATOM 879 C ASP A 61 -4.562 -3.894 -3.287 1.00 0.00 C ATOM 880 O ASP A 61 -4.484 -2.805 -3.855 1.00 0.00 O ATOM 881 CB ASP A 61 -6.597 -5.339 -3.449 1.00 0.00 C ATOM 882 CG ASP A 61 -7.538 -5.865 -4.515 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.486 -5.358 -5.656 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.328 -6.782 -4.209 1.00 0.00 O ATOM 0 H ASP A 61 -4.842 -7.065 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.241 -4.888 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.553 -6.050 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.994 -4.407 -3.046 1.00 0.00 H new ATOM 889 N LEU A 62 -4.118 -4.098 -2.051 1.00 0.00 N ATOM 890 CA LEU A 62 -3.500 -3.030 -1.274 1.00 0.00 C ATOM 891 C LEU A 62 -2.176 -2.600 -1.897 1.00 0.00 C ATOM 892 O LEU A 62 -1.962 -1.420 -2.172 1.00 0.00 O ATOM 893 CB LEU A 62 -3.277 -3.485 0.170 1.00 0.00 C ATOM 894 CG LEU A 62 -2.533 -2.488 1.063 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.038 -1.071 0.831 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.685 -2.875 2.524 1.00 0.00 C ATOM 0 H LEU A 62 -4.175 -4.993 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.175 -2.174 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.247 -3.698 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.720 -4.422 0.156 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.475 -2.517 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.495 -0.381 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.879 -0.794 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.102 -1.022 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.151 -2.158 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.741 -2.874 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.272 -3.871 2.681 1.00 0.00 H new ATOM 908 N ALA A 63 -1.289 -3.566 -2.116 1.00 0.00 N ATOM 909 CA ALA A 63 0.016 -3.288 -2.707 1.00 0.00 C ATOM 910 C ALA A 63 -0.127 -2.555 -4.038 1.00 0.00 C ATOM 911 O ALA A 63 0.463 -1.494 -4.239 1.00 0.00 O ATOM 912 CB ALA A 63 0.797 -4.580 -2.896 1.00 0.00 C ATOM 0 H ALA A 63 -1.450 -4.548 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 63 0.565 -2.641 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.768 -4.357 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.940 -5.063 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.243 -5.247 -3.556 1.00 0.00 H new ATOM 918 N ARG A 64 -0.916 -3.128 -4.941 1.00 0.00 N ATOM 919 CA ARG A 64 -1.138 -2.527 -6.251 1.00 0.00 C ATOM 920 C ARG A 64 -1.803 -1.161 -6.117 1.00 0.00 C ATOM 921 O ARG A 64 -1.485 -0.229 -6.855 1.00 0.00 O ATOM 922 CB ARG A 64 -2.004 -3.445 -7.116 1.00 0.00 C ATOM 923 CG ARG A 64 -1.639 -3.413 -8.592 1.00 0.00 C ATOM 924 CD ARG A 64 -1.956 -2.062 -9.214 1.00 0.00 C ATOM 925 NE ARG A 64 -2.257 -2.174 -10.639 1.00 0.00 N ATOM 926 CZ ARG A 64 -1.332 -2.330 -11.583 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.046 -2.393 -11.257 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -1.692 -2.422 -12.855 1.00 0.00 N ATOM 0 H ARG A 64 -1.412 -4.007 -4.790 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.168 -2.394 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.913 -4.468 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.049 -3.158 -7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.577 -3.629 -8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.184 -4.195 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.806 -1.615 -8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.109 -1.390 -9.074 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.234 -2.130 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.236 -2.322 -10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.659 -2.513 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.678 -2.373 -13.111 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.983 -2.542 -13.578 1.00 0.00 H new ATOM 942 N PHE A 65 -2.727 -1.051 -5.168 1.00 0.00 N ATOM 943 CA PHE A 65 -3.437 0.201 -4.934 1.00 0.00 C ATOM 944 C PHE A 65 -2.465 1.315 -4.559 1.00 0.00 C ATOM 945 O PHE A 65 -2.436 2.366 -5.197 1.00 0.00 O ATOM 946 CB PHE A 65 -4.480 0.018 -3.828 1.00 0.00 C ATOM 947 CG PHE A 65 -5.216 1.280 -3.476 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.071 1.877 -4.389 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.051 1.869 -2.233 1.00 0.00 C ATOM 950 CE1 PHE A 65 -6.749 3.038 -4.067 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.726 3.029 -1.906 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.576 3.615 -2.824 1.00 0.00 C ATOM 0 H PHE A 65 -3.001 -1.814 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.943 0.484 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.201 -0.737 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.986 -0.365 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.209 1.430 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.387 1.416 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.413 3.493 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.589 3.478 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.104 4.522 -2.570 1.00 0.00 H new ATOM 962 N ALA A 66 -1.671 1.078 -3.520 1.00 0.00 N ATOM 963 CA ALA A 66 -0.698 2.063 -3.061 1.00 0.00 C ATOM 964 C ALA A 66 0.322 2.375 -4.152 1.00 0.00 C ATOM 965 O ALA A 66 0.515 3.535 -4.525 1.00 0.00 O ATOM 966 CB ALA A 66 0.005 1.565 -1.807 1.00 0.00 C ATOM 0 H ALA A 66 -1.682 0.213 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.232 2.983 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.728 2.310 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.730 1.398 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.521 0.630 -2.026 1.00 0.00 H new ATOM 972 N VAL A 67 0.971 1.332 -4.663 1.00 0.00 N ATOM 973 CA VAL A 67 1.971 1.491 -5.713 1.00 0.00 C ATOM 974 C VAL A 67 1.422 2.315 -6.874 1.00 0.00 C ATOM 975 O VAL A 67 2.041 3.286 -7.308 1.00 0.00 O ATOM 976 CB VAL A 67 2.448 0.124 -6.243 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.524 0.305 -7.303 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.955 -0.745 -5.102 1.00 0.00 C ATOM 0 H VAL A 67 0.822 0.368 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 67 2.818 2.015 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 67 1.599 -0.380 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.847 -0.671 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.122 0.884 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.375 0.832 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.287 -1.705 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.790 -0.247 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.152 -0.906 -4.383 1.00 0.00 H new ATOM 988 N ARG A 68 0.254 1.922 -7.368 1.00 0.00 N ATOM 989 CA ARG A 68 -0.383 2.624 -8.474 1.00 0.00 C ATOM 990 C ARG A 68 -0.842 4.013 -8.038 1.00 0.00 C ATOM 991 O ARG A 68 -0.904 4.938 -8.847 1.00 0.00 O ATOM 992 CB ARG A 68 -1.573 1.816 -8.997 1.00 0.00 C ATOM 993 CG ARG A 68 -2.363 2.522 -10.089 1.00 0.00 C ATOM 994 CD ARG A 68 -3.329 1.574 -10.783 1.00 0.00 C ATOM 995 NE ARG A 68 -4.722 1.962 -10.576 1.00 0.00 N ATOM 996 CZ ARG A 68 -5.427 1.651 -9.490 1.00 0.00 C ATOM 997 NH1 ARG A 68 -4.875 0.948 -8.509 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -6.688 2.046 -9.384 1.00 0.00 N ATOM 0 H ARG A 68 -0.271 1.120 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 68 0.347 2.738 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.212 0.862 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.241 1.592 -8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.917 3.355 -9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.675 2.943 -10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.113 1.555 -11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.175 0.562 -10.409 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.182 2.504 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.905 0.642 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.421 0.713 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.118 2.588 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.229 1.808 -8.552 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.161 4.150 -6.755 1.00 0.00 N ATOM 1013 CA GLU A 69 -1.613 5.426 -6.211 1.00 0.00 C ATOM 1014 C GLU A 69 -0.508 6.472 -6.293 1.00 0.00 C ATOM 1015 O GLU A 69 -0.760 7.633 -6.614 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.064 5.255 -4.759 1.00 0.00 C ATOM 1017 CG GLU A 69 -2.588 6.536 -4.131 1.00 0.00 C ATOM 1018 CD GLU A 69 -3.697 7.173 -4.945 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -4.447 6.429 -5.612 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -3.817 8.416 -4.916 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.115 3.393 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.458 5.769 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.843 4.494 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.226 4.887 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.956 6.320 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.768 7.246 -4.024 1.00 0.00 H new ATOM 1027 N TYR A 70 0.718 6.054 -6.000 1.00 0.00 N ATOM 1028 CA TYR A 70 1.862 6.957 -6.043 1.00 0.00 C ATOM 1029 C TYR A 70 2.526 6.940 -7.421 1.00 0.00 C ATOM 1030 O TYR A 70 3.260 7.861 -7.780 1.00 0.00 O ATOM 1031 CB TYR A 70 2.874 6.581 -4.951 1.00 0.00 C ATOM 1032 CG TYR A 70 3.970 5.642 -5.412 1.00 0.00 C ATOM 1033 CD1 TYR A 70 5.111 6.130 -6.037 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.862 4.271 -5.222 1.00 0.00 C ATOM 1035 CE1 TYR A 70 6.113 5.277 -6.460 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.860 3.412 -5.641 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.982 3.919 -6.260 1.00 0.00 C ATOM 1038 OH TYR A 70 6.978 3.067 -6.679 1.00 0.00 O ATOM 0 H TYR A 70 0.945 5.097 -5.730 1.00 0.00 H new ATOM 0 HA TYR A 70 1.505 7.970 -5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.331 7.493 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.340 6.118 -4.121 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.217 7.193 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.984 3.869 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.994 5.672 -6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.761 2.348 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 70 7.209 2.451 -5.953 1.00 0.00 H new ATOM 1048 N ASN A 71 2.272 5.882 -8.185 1.00 0.00 N ATOM 1049 CA ASN A 71 2.852 5.742 -9.517 1.00 0.00 C ATOM 1050 C ASN A 71 2.023 6.471 -10.572 1.00 0.00 C ATOM 1051 O ASN A 71 2.536 6.836 -11.629 1.00 0.00 O ATOM 1052 CB ASN A 71 2.975 4.263 -9.885 1.00 0.00 C ATOM 1053 CG ASN A 71 4.223 3.625 -9.309 1.00 0.00 C ATOM 1054 OD1 ASN A 71 4.145 2.689 -8.513 1.00 0.00 O ATOM 1055 ND2 ASN A 71 5.385 4.130 -9.708 1.00 0.00 N ATOM 0 H ASN A 71 1.668 5.109 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 71 3.843 6.196 -9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.097 3.728 -9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.986 4.161 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.259 3.741 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.404 4.906 -10.369 1.00 0.00 H new ATOM 1062 N ASN A 72 0.739 6.675 -10.288 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.148 7.353 -11.228 1.00 0.00 C ATOM 1064 C ASN A 72 -0.032 8.871 -11.108 1.00 0.00 C ATOM 1065 O ASN A 72 -0.120 9.589 -12.104 1.00 0.00 O ATOM 1066 CB ASN A 72 -1.600 6.909 -11.006 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.297 7.685 -9.902 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -2.216 7.177 -8.679 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -2.900 8.730 -10.148 1.00 0.00 N flip ATOM 0 H ASN A 72 0.292 6.382 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 72 0.157 7.074 -12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.157 7.030 -11.935 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.616 5.847 -10.761 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.937 9.085 -11.104 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.363 9.241 -9.396 1.00 0.00 H new ATOM 1076 N LYS A 73 0.156 9.356 -9.884 1.00 0.00 N ATOM 1077 CA LYS A 73 0.272 10.792 -9.639 1.00 0.00 C ATOM 1078 C LYS A 73 1.288 11.438 -10.574 1.00 0.00 C ATOM 1079 O LYS A 73 1.032 12.500 -11.143 1.00 0.00 O ATOM 1080 CB LYS A 73 0.660 11.067 -8.184 1.00 0.00 C ATOM 1081 CG LYS A 73 1.657 10.076 -7.614 1.00 0.00 C ATOM 1082 CD LYS A 73 2.333 10.624 -6.367 1.00 0.00 C ATOM 1083 CE LYS A 73 3.704 10.002 -6.155 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.479 10.712 -5.101 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.231 8.778 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.705 11.233 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.080 12.070 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.241 11.055 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.148 9.143 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.411 9.843 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.433 11.706 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.706 10.429 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.588 8.954 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.261 10.023 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.407 10.257 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.612 11.706 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.960 10.670 -4.201 1.00 0.00 H new ATOM 1098 N ASN A 74 2.444 10.802 -10.722 1.00 0.00 N ATOM 1099 CA ASN A 74 3.493 11.328 -11.578 1.00 0.00 C ATOM 1100 C ASN A 74 4.687 10.378 -11.648 1.00 0.00 C ATOM 1101 O ASN A 74 5.356 10.285 -12.677 1.00 0.00 O ATOM 1102 CB ASN A 74 3.935 12.695 -11.064 1.00 0.00 C ATOM 1103 CG ASN A 74 4.032 12.751 -9.550 1.00 0.00 C ATOM 1104 OD1 ASN A 74 5.042 12.094 -8.994 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 3.207 13.380 -8.888 1.00 0.00 N flip ATOM 0 H ASN A 74 2.676 9.923 -10.260 1.00 0.00 H new ATOM 0 HA ASN A 74 3.093 11.429 -12.587 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.905 12.944 -11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.230 13.452 -11.407 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.445 13.871 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.285 13.410 -7.871 1.00 0.00 H new ATOM 1112 N ASN A 75 4.953 9.674 -10.549 1.00 0.00 N ATOM 1113 CA ASN A 75 6.069 8.735 -10.492 1.00 0.00 C ATOM 1114 C ASN A 75 6.018 7.748 -11.656 1.00 0.00 C ATOM 1115 O ASN A 75 5.097 7.782 -12.472 1.00 0.00 O ATOM 1116 CB ASN A 75 6.056 7.977 -9.163 1.00 0.00 C ATOM 1117 CG ASN A 75 7.437 7.871 -8.545 1.00 0.00 C ATOM 1118 OD1 ASN A 75 8.083 6.726 -8.732 1.00 0.00 O flip ATOM 1119 ND2 ASN A 75 7.918 8.808 -7.907 1.00 0.00 N flip ATOM 0 H ASN A 75 4.411 9.737 -9.687 1.00 0.00 H new ATOM 0 HA ASN A 75 6.994 9.307 -10.569 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.387 8.482 -8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.654 6.976 -9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.386 9.670 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.848 8.722 -7.498 1.00 0.00 H new ATOM 1126 N ALA A 76 7.014 6.870 -11.725 1.00 0.00 N ATOM 1127 CA ALA A 76 7.084 5.875 -12.788 1.00 0.00 C ATOM 1128 C ALA A 76 5.844 4.987 -12.794 1.00 0.00 C ATOM 1129 O ALA A 76 4.910 5.204 -12.023 1.00 0.00 O ATOM 1130 CB ALA A 76 8.340 5.029 -12.636 1.00 0.00 C ATOM 0 H ALA A 76 7.784 6.828 -11.057 1.00 0.00 H new ATOM 0 HA ALA A 76 7.125 6.401 -13.742 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.380 4.290 -13.436 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.220 5.671 -12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.321 4.520 -11.672 1.00 0.00 H new ATOM 1136 N LEU A 77 5.843 3.988 -13.670 1.00 0.00 N ATOM 1137 CA LEU A 77 4.717 3.067 -13.777 1.00 0.00 C ATOM 1138 C LEU A 77 5.169 1.626 -13.557 1.00 0.00 C ATOM 1139 O LEU A 77 4.777 0.721 -14.294 1.00 0.00 O ATOM 1140 CB LEU A 77 4.049 3.203 -15.147 1.00 0.00 C ATOM 1141 CG LEU A 77 2.526 3.068 -15.140 1.00 0.00 C ATOM 1142 CD1 LEU A 77 2.109 1.769 -14.467 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.890 4.260 -14.441 1.00 0.00 C ATOM 0 H LEU A 77 6.609 3.795 -14.316 1.00 0.00 H new ATOM 0 HA LEU A 77 3.995 3.323 -13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.311 4.174 -15.567 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.463 2.446 -15.813 1.00 0.00 H new ATOM 0 HG LEU A 77 2.176 3.047 -16.172 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.022 1.690 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.536 0.925 -15.009 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.470 1.760 -13.438 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.806 4.148 -14.445 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.246 4.311 -13.412 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.162 5.176 -14.965 1.00 0.00 H new ATOM 1155 N LEU A 78 5.993 1.420 -12.535 1.00 0.00 N ATOM 1156 CA LEU A 78 6.496 0.089 -12.216 1.00 0.00 C ATOM 1157 C LEU A 78 5.347 -0.866 -11.908 1.00 0.00 C ATOM 1158 O LEU A 78 4.181 -0.471 -11.919 1.00 0.00 O ATOM 1159 CB LEU A 78 7.456 0.153 -11.025 1.00 0.00 C ATOM 1160 CG LEU A 78 6.891 0.824 -9.772 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.913 -0.103 -9.066 1.00 0.00 C ATOM 1162 CD2 LEU A 78 8.017 1.229 -8.833 1.00 0.00 C ATOM 0 H LEU A 78 6.326 2.157 -11.914 1.00 0.00 H new ATOM 0 HA LEU A 78 7.035 -0.287 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.761 -0.862 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.355 0.688 -11.331 1.00 0.00 H new ATOM 0 HG LEU A 78 6.354 1.723 -10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.521 0.391 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.091 -0.345 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.426 -1.020 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.598 1.705 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.581 0.344 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.681 1.929 -9.341 1.00 0.00 H new ATOM 1174 N GLU A 79 5.682 -2.123 -11.635 1.00 0.00 N ATOM 1175 CA GLU A 79 4.673 -3.130 -11.326 1.00 0.00 C ATOM 1176 C GLU A 79 5.104 -3.989 -10.143 1.00 0.00 C ATOM 1177 O GLU A 79 6.132 -4.665 -10.196 1.00 0.00 O ATOM 1178 CB GLU A 79 4.416 -4.015 -12.547 1.00 0.00 C ATOM 1179 CG GLU A 79 5.686 -4.496 -13.228 1.00 0.00 C ATOM 1180 CD GLU A 79 5.406 -5.320 -14.470 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.469 -6.145 -14.436 1.00 0.00 O ATOM 1182 OE2 GLU A 79 6.123 -5.139 -15.476 1.00 0.00 O1- ATOM 0 H GLU A 79 6.642 -2.468 -11.621 1.00 0.00 H new ATOM 0 HA GLU A 79 3.751 -2.614 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.828 -4.880 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.815 -3.460 -13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.297 -3.635 -13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.268 -5.092 -12.525 1.00 0.00 H new ATOM 1189 N PHE A 80 4.311 -3.960 -9.076 1.00 0.00 N ATOM 1190 CA PHE A 80 4.612 -4.738 -7.881 1.00 0.00 C ATOM 1191 C PHE A 80 4.428 -6.231 -8.148 1.00 0.00 C ATOM 1192 O PHE A 80 3.595 -6.626 -8.964 1.00 0.00 O ATOM 1193 CB PHE A 80 3.730 -4.280 -6.710 1.00 0.00 C ATOM 1194 CG PHE A 80 2.518 -5.141 -6.474 1.00 0.00 C ATOM 1195 CD1 PHE A 80 1.387 -5.002 -7.262 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.515 -6.089 -5.464 1.00 0.00 C ATOM 1197 CE1 PHE A 80 0.275 -5.794 -7.048 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.406 -6.884 -5.244 1.00 0.00 C ATOM 1199 CZ PHE A 80 0.285 -6.737 -6.038 1.00 0.00 C ATOM 0 H PHE A 80 3.456 -3.407 -9.015 1.00 0.00 H new ATOM 0 HA PHE A 80 5.655 -4.570 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.332 -4.264 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.404 -3.256 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.374 -4.266 -8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.389 -6.208 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.601 -5.676 -7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.416 -7.619 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.582 -7.358 -5.870 1.00 0.00 H new ATOM 1209 N VAL A 81 5.208 -7.054 -7.457 1.00 0.00 N ATOM 1210 CA VAL A 81 5.126 -8.498 -7.623 1.00 0.00 C ATOM 1211 C VAL A 81 4.386 -9.141 -6.457 1.00 0.00 C ATOM 1212 O VAL A 81 3.645 -10.107 -6.637 1.00 0.00 O ATOM 1213 CB VAL A 81 6.524 -9.134 -7.744 1.00 0.00 C ATOM 1214 CG1 VAL A 81 7.146 -8.804 -9.092 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.423 -8.671 -6.607 1.00 0.00 C ATOM 0 H VAL A 81 5.903 -6.745 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 81 4.575 -8.679 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 81 6.417 -10.216 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.133 -9.262 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.512 -9.191 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.240 -7.723 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.406 -9.131 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.525 -7.586 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.984 -8.964 -5.653 1.00 0.00 H new ATOM 1225 N ARG A 82 4.591 -8.596 -5.260 1.00 0.00 N ATOM 1226 CA ARG A 82 3.942 -9.115 -4.058 1.00 0.00 C ATOM 1227 C ARG A 82 4.444 -8.394 -2.813 1.00 0.00 C ATOM 1228 O ARG A 82 5.459 -7.699 -2.853 1.00 0.00 O ATOM 1229 CB ARG A 82 4.190 -10.614 -3.919 1.00 0.00 C ATOM 1230 CG ARG A 82 5.655 -10.978 -3.994 1.00 0.00 C ATOM 1231 CD ARG A 82 5.855 -12.411 -4.461 1.00 0.00 C ATOM 1232 NE ARG A 82 7.214 -12.644 -4.943 1.00 0.00 N ATOM 1233 CZ ARG A 82 8.267 -12.807 -4.145 1.00 0.00 C ATOM 1234 NH1 ARG A 82 8.122 -12.761 -2.826 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 9.468 -13.015 -4.667 1.00 0.00 N ATOM 0 H ARG A 82 5.201 -7.795 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 82 2.871 -8.939 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.784 -10.957 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.649 -11.141 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.164 -10.298 -4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.113 -10.847 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.640 -13.094 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.145 -12.636 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 82 7.365 -12.684 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.200 -12.600 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.932 -12.887 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.585 -13.050 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.275 -13.140 -4.056 1.00 0.00 H new ATOM 1249 N VAL A 83 3.729 -8.567 -1.706 1.00 0.00 N ATOM 1250 CA VAL A 83 4.103 -7.933 -0.450 1.00 0.00 C ATOM 1251 C VAL A 83 5.069 -8.806 0.346 1.00 0.00 C ATOM 1252 O VAL A 83 4.927 -10.028 0.389 1.00 0.00 O ATOM 1253 CB VAL A 83 2.862 -7.622 0.416 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.783 -6.943 -0.417 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.321 -8.888 1.069 1.00 0.00 C ATOM 0 H VAL A 83 2.888 -9.141 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 83 4.599 -6.997 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 83 3.166 -6.938 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.917 -6.732 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.171 -6.010 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.487 -7.600 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.448 -8.641 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.038 -9.603 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.090 -9.326 1.705 1.00 0.00 H new ATOM 1265 N VAL A 84 6.050 -8.170 0.976 1.00 0.00 N ATOM 1266 CA VAL A 84 7.039 -8.884 1.773 1.00 0.00 C ATOM 1267 C VAL A 84 6.927 -8.523 3.255 1.00 0.00 C ATOM 1268 O VAL A 84 7.436 -9.241 4.115 1.00 0.00 O ATOM 1269 CB VAL A 84 8.471 -8.585 1.287 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.776 -7.098 1.398 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.487 -9.408 2.067 1.00 0.00 C ATOM 0 H VAL A 84 6.181 -7.159 0.950 1.00 0.00 H new ATOM 0 HA VAL A 84 6.834 -9.947 1.650 1.00 0.00 H new ATOM 0 HB VAL A 84 8.542 -8.868 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.791 -6.908 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.071 -6.535 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.684 -6.784 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.491 -9.182 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.417 -9.163 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.282 -10.469 1.925 1.00 0.00 H new ATOM 1281 N LYS A 85 6.259 -7.409 3.547 1.00 0.00 N ATOM 1282 CA LYS A 85 6.087 -6.962 4.926 1.00 0.00 C ATOM 1283 C LYS A 85 4.736 -6.281 5.113 1.00 0.00 C ATOM 1284 O LYS A 85 4.168 -5.734 4.168 1.00 0.00 O ATOM 1285 CB LYS A 85 7.211 -6.002 5.322 1.00 0.00 C ATOM 1286 CG LYS A 85 8.583 -6.429 4.826 1.00 0.00 C ATOM 1287 CD LYS A 85 9.692 -5.864 5.699 1.00 0.00 C ATOM 1288 CE LYS A 85 11.040 -5.931 5.000 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.149 -6.200 5.957 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.830 -6.802 2.849 1.00 0.00 H new ATOM 0 HA LYS A 85 6.126 -7.840 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.985 -5.011 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.238 -5.916 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.645 -7.517 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.720 -6.093 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.464 -4.829 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.738 -6.420 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.017 -6.714 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.228 -4.990 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.051 -6.238 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.188 -5.440 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.984 -7.110 6.433 1.00 0.00 H new ATOM 1303 N ALA A 86 4.228 -6.320 6.340 1.00 0.00 N ATOM 1304 CA ALA A 86 2.942 -5.711 6.654 1.00 0.00 C ATOM 1305 C ALA A 86 2.855 -5.338 8.130 1.00 0.00 C ATOM 1306 O ALA A 86 3.175 -6.143 9.004 1.00 0.00 O ATOM 1307 CB ALA A 86 1.813 -6.656 6.278 1.00 0.00 C ATOM 0 H ALA A 86 4.688 -6.767 7.133 1.00 0.00 H new ATOM 0 HA ALA A 86 2.847 -4.794 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.856 -6.192 6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.857 -6.869 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.915 -7.586 6.838 1.00 0.00 H new ATOM 1313 N LYS A 87 2.418 -4.112 8.400 1.00 0.00 N ATOM 1314 CA LYS A 87 2.287 -3.630 9.770 1.00 0.00 C ATOM 1315 C LYS A 87 1.018 -2.800 9.934 1.00 0.00 C ATOM 1316 O LYS A 87 0.510 -2.227 8.970 1.00 0.00 O ATOM 1317 CB LYS A 87 3.509 -2.797 10.159 1.00 0.00 C ATOM 1318 CG LYS A 87 4.812 -3.577 10.128 1.00 0.00 C ATOM 1319 CD LYS A 87 5.558 -3.365 8.820 1.00 0.00 C ATOM 1320 CE LYS A 87 6.838 -4.183 8.770 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.002 -3.428 9.310 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.148 -3.434 7.687 1.00 0.00 H new ATOM 0 HA LYS A 87 2.222 -4.496 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.589 -1.946 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.360 -2.395 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.442 -3.268 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.605 -4.639 10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.915 -3.642 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.796 -2.308 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.704 -5.101 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.042 -4.476 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.855 -4.021 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.146 -2.564 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.819 -3.171 10.301 1.00 0.00 H new ATOM 1335 N GLU A 88 0.510 -2.740 11.161 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.701 -1.980 11.450 1.00 0.00 C ATOM 1337 C GLU A 88 -0.393 -0.779 12.338 1.00 0.00 C ATOM 1338 O GLU A 88 0.440 -0.857 13.240 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.740 -2.876 12.128 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.900 -4.233 11.462 1.00 0.00 C ATOM 1341 CD GLU A 88 -2.846 -5.145 12.218 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -2.888 -5.056 13.463 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -3.545 -5.949 11.566 1.00 0.00 O1- ATOM 0 H GLU A 88 0.918 -3.208 11.970 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.104 -1.616 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.456 -3.023 13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.703 -2.365 12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.270 -4.094 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.924 -4.712 11.383 1.00 0.00 H new ATOM 1350 N GLN A 89 -1.073 0.333 12.075 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.875 1.553 12.850 1.00 0.00 C ATOM 1352 C GLN A 89 -2.201 2.272 13.078 1.00 0.00 C ATOM 1353 O GLN A 89 -3.142 2.119 12.300 1.00 0.00 O ATOM 1354 CB GLN A 89 0.107 2.482 12.135 1.00 0.00 C ATOM 1355 CG GLN A 89 0.442 3.737 12.924 1.00 0.00 C ATOM 1356 CD GLN A 89 1.307 4.705 12.140 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.354 4.186 11.510 1.00 0.00 O flip ATOM 1358 NE2 GLN A 89 1.036 5.905 12.101 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.766 0.414 11.331 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.461 1.276 13.820 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.027 1.935 11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.314 2.770 11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.482 4.236 13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.957 3.457 13.843 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.221 6.260 12.601 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.627 6.544 11.569 1.00 0.00 H new ATOM 1367 N VAL A 90 -2.269 3.054 14.151 1.00 0.00 N ATOM 1368 CA VAL A 90 -3.483 3.793 14.480 1.00 0.00 C ATOM 1369 C VAL A 90 -3.203 5.287 14.610 1.00 0.00 C ATOM 1370 O VAL A 90 -2.435 5.713 15.472 1.00 0.00 O ATOM 1371 CB VAL A 90 -4.112 3.285 15.790 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -5.477 3.920 16.008 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -4.218 1.768 15.778 1.00 0.00 C ATOM 0 H VAL A 90 -1.500 3.192 14.806 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.183 3.628 13.661 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.465 3.575 16.618 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.906 3.549 16.939 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.370 5.003 16.064 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.135 3.663 15.177 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.665 1.427 16.712 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.842 1.453 14.941 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.223 1.335 15.672 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.836 6.077 13.749 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.663 7.524 13.763 1.00 0.00 C ATOM 1385 C VAL A 91 -4.817 8.216 13.046 1.00 0.00 C ATOM 1386 O VAL A 91 -4.847 8.280 11.817 1.00 0.00 O ATOM 1387 CB VAL A 91 -2.337 7.942 13.100 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -1.163 7.660 14.026 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -2.157 7.230 11.768 1.00 0.00 C ATOM 0 H VAL A 91 -4.475 5.737 13.031 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.646 7.831 14.809 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.371 9.015 12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.235 7.962 13.540 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.287 8.222 14.952 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.125 6.594 14.251 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.215 7.538 11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.146 6.152 11.930 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.981 7.489 11.103 1.00 0.00 H new ATOM 1399 N SER A 92 -5.768 8.728 13.820 1.00 0.00 N ATOM 1400 CA SER A 92 -6.928 9.409 13.254 1.00 0.00 C ATOM 1401 C SER A 92 -7.724 8.466 12.357 1.00 0.00 C ATOM 1402 O SER A 92 -8.417 8.902 11.439 1.00 0.00 O ATOM 1403 CB SER A 92 -6.486 10.638 12.458 1.00 0.00 C ATOM 1404 OG SER A 92 -5.875 11.600 13.301 1.00 0.00 O ATOM 0 H SER A 92 -5.759 8.685 14.839 1.00 0.00 H new ATOM 0 HA SER A 92 -7.569 9.730 14.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.787 10.337 11.678 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.348 11.082 11.960 1.00 0.00 H new ATOM 0 HG SER A 92 -5.600 12.375 12.768 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.615 7.169 12.629 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.324 6.181 11.840 1.00 0.00 C ATOM 1412 C GLY A 93 -7.584 4.860 11.779 1.00 0.00 C ATOM 1413 O GLY A 93 -7.442 4.173 12.790 1.00 0.00 O ATOM 0 H GLY A 93 -7.047 6.785 13.384 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.315 6.021 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.469 6.562 10.829 1.00 0.00 H new ATOM 1417 N MET A 94 -7.107 4.506 10.591 1.00 0.00 N ATOM 1418 CA MET A 94 -6.373 3.260 10.404 1.00 0.00 C ATOM 1419 C MET A 94 -5.283 3.423 9.350 1.00 0.00 C ATOM 1420 O MET A 94 -5.571 3.645 8.174 1.00 0.00 O ATOM 1421 CB MET A 94 -7.329 2.137 9.997 1.00 0.00 C ATOM 1422 CG MET A 94 -8.281 1.716 11.104 1.00 0.00 C ATOM 1423 SD MET A 94 -7.493 0.656 12.332 1.00 0.00 S ATOM 1424 CE MET A 94 -7.709 1.636 13.815 1.00 0.00 C ATOM 0 H MET A 94 -7.215 5.064 9.744 1.00 0.00 H new ATOM 0 HA MET A 94 -5.900 3.000 11.351 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.910 2.461 9.134 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.746 1.271 9.682 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.675 2.605 11.596 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.130 1.190 10.667 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.892 0.977 14.663 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.808 2.222 13.999 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.558 2.307 13.687 1.00 0.00 H new ATOM 1434 N MET A 95 -4.030 3.308 9.779 1.00 0.00 N ATOM 1435 CA MET A 95 -2.895 3.438 8.873 1.00 0.00 C ATOM 1436 C MET A 95 -2.164 2.106 8.735 1.00 0.00 C ATOM 1437 O MET A 95 -1.743 1.513 9.728 1.00 0.00 O ATOM 1438 CB MET A 95 -1.933 4.517 9.375 1.00 0.00 C ATOM 1439 CG MET A 95 -1.412 5.425 8.273 1.00 0.00 C ATOM 1440 SD MET A 95 -0.458 6.816 8.912 1.00 0.00 S ATOM 1441 CE MET A 95 -1.475 8.192 8.386 1.00 0.00 C ATOM 0 H MET A 95 -3.775 3.125 10.750 1.00 0.00 H new ATOM 0 HA MET A 95 -3.271 3.731 7.893 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.440 5.124 10.126 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.088 4.038 9.870 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.789 4.844 7.593 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.253 5.803 7.691 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.874 9.101 8.362 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.870 7.992 7.390 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.301 8.322 9.085 1.00 0.00 H new ATOM 1451 N HIS A 96 -2.022 1.638 7.499 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.349 0.371 7.237 1.00 0.00 C ATOM 1453 C HIS A 96 0.015 0.592 6.590 1.00 0.00 C ATOM 1454 O HIS A 96 0.127 1.261 5.563 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.215 -0.512 6.337 1.00 0.00 C ATOM 1456 CG HIS A 96 -2.100 -1.973 6.643 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -2.620 -2.547 7.784 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.520 -2.981 5.948 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -2.365 -3.843 7.779 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.699 -4.131 6.676 1.00 0.00 N ATOM 0 H HIS A 96 -2.363 2.116 6.665 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.196 -0.130 8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.257 -0.209 6.438 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.934 -0.344 5.297 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.012 -2.896 4.999 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.652 -4.547 8.546 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.370 -5.059 6.408 1.00 0.00 H new ATOM 1469 N TYR A 97 1.047 0.014 7.196 1.00 0.00 N ATOM 1470 CA TYR A 97 2.406 0.133 6.681 1.00 0.00 C ATOM 1471 C TYR A 97 2.904 -1.220 6.185 1.00 0.00 C ATOM 1472 O TYR A 97 3.362 -2.047 6.973 1.00 0.00 O ATOM 1473 CB TYR A 97 3.344 0.663 7.768 1.00 0.00 C ATOM 1474 CG TYR A 97 3.203 2.147 8.026 1.00 0.00 C ATOM 1475 CD1 TYR A 97 1.960 2.713 8.277 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.314 2.980 8.020 1.00 0.00 C ATOM 1477 CE1 TYR A 97 1.829 4.068 8.515 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.191 4.335 8.257 1.00 0.00 C ATOM 1479 CZ TYR A 97 2.947 4.875 8.504 1.00 0.00 C ATOM 1480 OH TYR A 97 2.820 6.224 8.740 1.00 0.00 O ATOM 0 H TYR A 97 0.967 -0.543 8.047 1.00 0.00 H new ATOM 0 HA TYR A 97 2.398 0.836 5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.152 0.123 8.695 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.374 0.450 7.482 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.082 2.084 8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.291 2.561 7.827 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.855 4.493 8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.066 4.969 8.249 1.00 0.00 H new ATOM 0 HH TYR A 97 1.870 6.460 8.784 1.00 0.00 H new ATOM 1490 N LEU A 98 2.805 -1.447 4.880 1.00 0.00 N ATOM 1491 CA LEU A 98 3.240 -2.710 4.295 1.00 0.00 C ATOM 1492 C LEU A 98 4.276 -2.488 3.197 1.00 0.00 C ATOM 1493 O LEU A 98 4.176 -1.542 2.416 1.00 0.00 O ATOM 1494 CB LEU A 98 2.037 -3.480 3.738 1.00 0.00 C ATOM 1495 CG LEU A 98 1.557 -3.038 2.353 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.453 -3.956 1.853 1.00 0.00 C ATOM 1497 CD2 LEU A 98 1.078 -1.595 2.390 1.00 0.00 C ATOM 0 H LEU A 98 2.429 -0.776 4.210 1.00 0.00 H new ATOM 0 HA LEU A 98 3.707 -3.299 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.294 -4.538 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.208 -3.382 4.439 1.00 0.00 H new ATOM 0 HG LEU A 98 2.396 -3.103 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.124 -3.626 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.830 -4.977 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.388 -3.924 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.741 -1.298 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.253 -1.504 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.897 -0.948 2.704 1.00 0.00 H new ATOM 1509 N THR A 99 5.264 -3.373 3.143 1.00 0.00 N ATOM 1510 CA THR A 99 6.316 -3.285 2.138 1.00 0.00 C ATOM 1511 C THR A 99 6.135 -4.366 1.081 1.00 0.00 C ATOM 1512 O THR A 99 5.789 -5.503 1.400 1.00 0.00 O ATOM 1513 CB THR A 99 7.691 -3.418 2.794 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.677 -2.877 4.103 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.793 -2.725 2.021 1.00 0.00 C ATOM 0 H THR A 99 5.359 -4.161 3.784 1.00 0.00 H new ATOM 0 HA THR A 99 6.249 -2.310 1.655 1.00 0.00 H new ATOM 0 HB THR A 99 7.900 -4.488 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.565 -2.973 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.742 -2.858 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.863 -3.156 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.569 -1.661 1.942 1.00 0.00 H new ATOM 1523 N VAL A 100 6.363 -4.008 -0.178 1.00 0.00 N ATOM 1524 CA VAL A 100 6.214 -4.958 -1.272 1.00 0.00 C ATOM 1525 C VAL A 100 7.359 -4.841 -2.275 1.00 0.00 C ATOM 1526 O VAL A 100 8.055 -3.825 -2.329 1.00 0.00 O ATOM 1527 CB VAL A 100 4.864 -4.770 -2.002 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.731 -4.623 -0.998 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.908 -3.569 -2.939 1.00 0.00 C ATOM 0 H VAL A 100 6.650 -3.072 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 100 6.238 -5.954 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 100 4.681 -5.659 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.789 -4.492 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.676 -5.518 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.915 -3.754 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.945 -3.462 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.122 -2.667 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.689 -3.718 -3.685 1.00 0.00 H new ATOM 1539 N GLU A 101 7.541 -5.889 -3.072 1.00 0.00 N ATOM 1540 CA GLU A 101 8.592 -5.910 -4.080 1.00 0.00 C ATOM 1541 C GLU A 101 8.080 -5.335 -5.395 1.00 0.00 C ATOM 1542 O GLU A 101 6.937 -5.575 -5.785 1.00 0.00 O ATOM 1543 CB GLU A 101 9.097 -7.339 -4.292 1.00 0.00 C ATOM 1544 CG GLU A 101 10.378 -7.650 -3.536 1.00 0.00 C ATOM 1545 CD GLU A 101 10.865 -9.066 -3.771 1.00 0.00 C ATOM 1546 OE1 GLU A 101 10.082 -10.010 -3.537 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 12.030 -9.231 -4.190 1.00 0.00 O ATOM 0 H GLU A 101 6.973 -6.735 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 101 9.419 -5.294 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.322 -8.039 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.265 -7.502 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.154 -6.948 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.212 -7.499 -2.469 1.00 0.00 H new ATOM 1554 N VAL A 102 8.927 -4.568 -6.069 1.00 0.00 N ATOM 1555 CA VAL A 102 8.554 -3.950 -7.333 1.00 0.00 C ATOM 1556 C VAL A 102 9.369 -4.514 -8.492 1.00 0.00 C ATOM 1557 O VAL A 102 10.507 -4.949 -8.312 1.00 0.00 O ATOM 1558 CB VAL A 102 8.748 -2.424 -7.283 1.00 0.00 C ATOM 1559 CG1 VAL A 102 7.707 -1.782 -6.378 1.00 0.00 C ATOM 1560 CG2 VAL A 102 10.156 -2.085 -6.818 1.00 0.00 C ATOM 0 H VAL A 102 9.877 -4.359 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 102 7.500 -4.177 -7.495 1.00 0.00 H new ATOM 0 HB VAL A 102 8.614 -2.023 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.860 -0.703 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.709 -1.999 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.804 -2.184 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.278 -1.002 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.319 -2.497 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.881 -2.513 -7.511 1.00 0.00 H new ATOM 1570 N ASN A 103 8.777 -4.497 -9.682 1.00 0.00 N ATOM 1571 CA ASN A 103 9.441 -5.000 -10.878 1.00 0.00 C ATOM 1572 C ASN A 103 9.248 -4.038 -12.046 1.00 0.00 C ATOM 1573 O ASN A 103 8.147 -3.533 -12.270 1.00 0.00 O ATOM 1574 CB ASN A 103 8.900 -6.383 -11.244 1.00 0.00 C ATOM 1575 CG ASN A 103 9.617 -6.988 -12.435 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.026 -7.186 -13.496 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.900 -7.287 -12.263 1.00 0.00 N ATOM 0 H ASN A 103 7.836 -4.139 -9.843 1.00 0.00 H new ATOM 0 HA ASN A 103 10.507 -5.082 -10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.001 -7.048 -10.386 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.835 -6.307 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.435 -7.698 -13.028 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.350 -7.106 -11.366 1.00 0.00 H new ATOM 1584 N ASP A 104 10.323 -3.785 -12.785 1.00 0.00 N ATOM 1585 CA ASP A 104 10.266 -2.880 -13.928 1.00 0.00 C ATOM 1586 C ASP A 104 11.039 -3.445 -15.115 1.00 0.00 C ATOM 1587 O ASP A 104 12.218 -3.143 -15.302 1.00 0.00 O ATOM 1588 CB ASP A 104 10.827 -1.509 -13.546 1.00 0.00 C ATOM 1589 CG ASP A 104 10.151 -0.378 -14.296 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.969 -0.535 -14.666 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 10.805 0.664 -14.514 1.00 0.00 O ATOM 0 H ASP A 104 11.242 -4.193 -12.614 1.00 0.00 H new ATOM 0 HA ASP A 104 9.221 -2.772 -14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.704 -1.355 -12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.898 -1.488 -13.750 1.00 0.00 H new ATOM 1596 N ALA A 105 10.366 -4.264 -15.919 1.00 0.00 N ATOM 1597 CA ALA A 105 10.986 -4.870 -17.093 1.00 0.00 C ATOM 1598 C ALA A 105 12.300 -5.558 -16.735 1.00 0.00 C ATOM 1599 O ALA A 105 13.215 -5.634 -17.554 1.00 0.00 O ATOM 1600 CB ALA A 105 11.216 -3.819 -18.168 1.00 0.00 C ATOM 0 H ALA A 105 9.390 -4.523 -15.778 1.00 0.00 H new ATOM 0 HA ALA A 105 10.305 -5.629 -17.478 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.679 -4.284 -19.038 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.262 -3.379 -18.457 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.873 -3.040 -17.781 1.00 0.00 H new ATOM 1606 N GLY A 106 12.386 -6.056 -15.506 1.00 0.00 N ATOM 1607 CA GLY A 106 13.592 -6.729 -15.062 1.00 0.00 C ATOM 1608 C GLY A 106 14.117 -6.170 -13.755 1.00 0.00 C ATOM 1609 O GLY A 106 14.583 -6.918 -12.895 1.00 0.00 O ATOM 0 H GLY A 106 11.642 -6.005 -14.810 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.388 -7.793 -14.943 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.361 -6.635 -15.829 1.00 0.00 H new ATOM 1613 N LYS A 107 14.042 -4.852 -13.604 1.00 0.00 N ATOM 1614 CA LYS A 107 14.513 -4.194 -12.391 1.00 0.00 C ATOM 1615 C LYS A 107 13.680 -4.620 -11.187 1.00 0.00 C ATOM 1616 O LYS A 107 12.513 -4.250 -11.066 1.00 0.00 O ATOM 1617 CB LYS A 107 14.456 -2.674 -12.554 1.00 0.00 C ATOM 1618 CG LYS A 107 15.706 -2.083 -13.185 1.00 0.00 C ATOM 1619 CD LYS A 107 16.680 -1.584 -12.130 1.00 0.00 C ATOM 1620 CE LYS A 107 16.358 -0.161 -11.704 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.893 0.842 -12.666 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.660 -4.219 -14.306 1.00 0.00 H new ATOM 0 HA LYS A 107 15.547 -4.494 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.592 -2.415 -13.166 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.302 -2.218 -11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.193 -2.836 -13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.428 -1.260 -13.844 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.646 -2.242 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.696 -1.627 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.278 -0.043 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.777 0.025 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.652 1.799 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.927 0.747 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 16.474 0.681 -13.604 1.00 0.00 H new ATOM 1635 N LYS A 108 14.288 -5.403 -10.301 1.00 0.00 N ATOM 1636 CA LYS A 108 13.602 -5.882 -9.107 1.00 0.00 C ATOM 1637 C LYS A 108 14.092 -5.147 -7.864 1.00 0.00 C ATOM 1638 O LYS A 108 15.295 -4.985 -7.662 1.00 0.00 O ATOM 1639 CB LYS A 108 13.820 -7.387 -8.942 1.00 0.00 C ATOM 1640 CG LYS A 108 13.103 -7.978 -7.739 1.00 0.00 C ATOM 1641 CD LYS A 108 11.728 -8.505 -8.115 1.00 0.00 C ATOM 1642 CE LYS A 108 10.839 -8.666 -6.892 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.643 -10.097 -6.532 1.00 0.00 N1+ ATOM 0 H LYS A 108 15.254 -5.719 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 108 12.537 -5.684 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.479 -7.896 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.888 -7.583 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.701 -8.786 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.003 -7.218 -6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.256 -7.822 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.831 -9.465 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.283 -8.137 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.871 -8.204 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.939 -10.170 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.307 -10.622 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.546 -10.501 -6.210 1.00 0.00 H new ATOM 1657 N LYS A 109 13.153 -4.705 -7.034 1.00 0.00 N ATOM 1658 CA LYS A 109 13.494 -3.987 -5.811 1.00 0.00 C ATOM 1659 C LYS A 109 12.406 -4.154 -4.755 1.00 0.00 C ATOM 1660 O LYS A 109 11.408 -4.840 -4.977 1.00 0.00 O ATOM 1661 CB LYS A 109 13.707 -2.501 -6.108 1.00 0.00 C ATOM 1662 CG LYS A 109 15.161 -2.132 -6.351 1.00 0.00 C ATOM 1663 CD LYS A 109 15.292 -1.049 -7.410 1.00 0.00 C ATOM 1664 CE LYS A 109 16.710 -0.966 -7.950 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.687 -0.593 -6.890 1.00 0.00 N1+ ATOM 0 H LYS A 109 12.152 -4.831 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 109 14.420 -4.410 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.120 -2.226 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.326 -1.914 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.611 -1.788 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.715 -3.017 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.601 -1.253 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.007 -0.087 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.991 -1.927 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.750 -0.232 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.624 -0.448 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.378 0.285 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.742 -1.356 -6.185 1.00 0.00 H new ATOM 1679 N LEU A 110 12.608 -3.519 -3.605 1.00 0.00 N ATOM 1680 CA LEU A 110 11.648 -3.590 -2.509 1.00 0.00 C ATOM 1681 C LEU A 110 11.321 -2.192 -1.992 1.00 0.00 C ATOM 1682 O LEU A 110 12.182 -1.510 -1.436 1.00 0.00 O ATOM 1683 CB LEU A 110 12.205 -4.458 -1.375 1.00 0.00 C ATOM 1684 CG LEU A 110 11.446 -4.371 -0.047 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.956 -4.578 -0.267 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.987 -5.392 0.942 1.00 0.00 C ATOM 0 H LEU A 110 13.430 -2.948 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 110 10.729 -4.044 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.209 -5.497 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.243 -4.175 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 110 11.595 -3.375 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.435 -4.513 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.577 -3.809 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.786 -5.561 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.437 -5.317 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.869 -6.395 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.044 -5.197 1.125 1.00 0.00 H new ATOM 1698 N TYR A 111 10.074 -1.771 -2.180 1.00 0.00 N ATOM 1699 CA TYR A 111 9.642 -0.451 -1.731 1.00 0.00 C ATOM 1700 C TYR A 111 8.544 -0.564 -0.676 1.00 0.00 C ATOM 1701 O TYR A 111 7.664 -1.419 -0.770 1.00 0.00 O ATOM 1702 CB TYR A 111 9.141 0.381 -2.917 1.00 0.00 C ATOM 1703 CG TYR A 111 10.119 0.476 -4.073 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.487 0.310 -3.878 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.670 0.739 -5.362 1.00 0.00 C ATOM 1706 CE1 TYR A 111 12.375 0.405 -4.932 1.00 0.00 C ATOM 1707 CE2 TYR A 111 10.554 0.834 -6.421 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.904 0.667 -6.201 1.00 0.00 C ATOM 1709 OH TYR A 111 12.786 0.762 -7.253 1.00 0.00 O ATOM 0 H TYR A 111 9.348 -2.321 -2.638 1.00 0.00 H new ATOM 0 HA TYR A 111 10.502 0.048 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 111 8.209 -0.051 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.911 1.388 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.861 0.103 -2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.613 0.871 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.434 0.275 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.188 1.038 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 111 12.292 0.949 -8.078 1.00 0.00 H new ATOM 1719 N GLU A 112 8.603 0.309 0.326 1.00 0.00 N ATOM 1720 CA GLU A 112 7.614 0.312 1.398 1.00 0.00 C ATOM 1721 C GLU A 112 6.464 1.260 1.072 1.00 0.00 C ATOM 1722 O GLU A 112 6.672 2.330 0.501 1.00 0.00 O ATOM 1723 CB GLU A 112 8.265 0.716 2.723 1.00 0.00 C ATOM 1724 CG GLU A 112 7.794 -0.110 3.909 1.00 0.00 C ATOM 1725 CD GLU A 112 7.484 0.740 5.126 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.436 1.132 5.834 1.00 0.00 O ATOM 1727 OE2 GLU A 112 6.291 1.013 5.372 1.00 0.00 O1- ATOM 0 H GLU A 112 9.326 1.023 0.417 1.00 0.00 H new ATOM 0 HA GLU A 112 7.214 -0.698 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.347 0.620 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.054 1.768 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.903 -0.671 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.562 -0.840 4.166 1.00 0.00 H new ATOM 1734 N ALA A 113 5.250 0.858 1.436 1.00 0.00 N ATOM 1735 CA ALA A 113 4.068 1.672 1.179 1.00 0.00 C ATOM 1736 C ALA A 113 3.196 1.792 2.424 1.00 0.00 C ATOM 1737 O ALA A 113 2.911 0.798 3.094 1.00 0.00 O ATOM 1738 CB ALA A 113 3.265 1.081 0.029 1.00 0.00 C ATOM 0 H ALA A 113 5.060 -0.025 1.909 1.00 0.00 H new ATOM 0 HA ALA A 113 4.401 2.673 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.385 1.697 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.882 1.053 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.953 0.069 0.286 1.00 0.00 H new ATOM 1744 N LYS A 114 2.770 3.015 2.726 1.00 0.00 N ATOM 1745 CA LYS A 114 1.924 3.263 3.890 1.00 0.00 C ATOM 1746 C LYS A 114 0.628 3.956 3.479 1.00 0.00 C ATOM 1747 O LYS A 114 0.645 5.084 2.986 1.00 0.00 O ATOM 1748 CB LYS A 114 2.666 4.105 4.933 1.00 0.00 C ATOM 1749 CG LYS A 114 3.562 5.181 4.339 1.00 0.00 C ATOM 1750 CD LYS A 114 4.604 5.652 5.340 1.00 0.00 C ATOM 1751 CE LYS A 114 5.691 4.609 5.545 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.812 4.778 4.579 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.996 3.848 2.183 1.00 0.00 H new ATOM 0 HA LYS A 114 1.676 2.300 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.935 4.577 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.272 3.444 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.059 4.792 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.954 6.027 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.052 6.582 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.122 5.869 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.075 4.680 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.263 3.612 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.329 3.880 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.432 5.056 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.459 5.516 4.924 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.493 3.270 3.682 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.800 3.814 3.330 1.00 0.00 C ATOM 1768 C VAL A 115 -2.602 4.176 4.576 1.00 0.00 C ATOM 1769 O VAL A 115 -2.443 3.561 5.630 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.613 2.816 2.484 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -3.877 3.472 1.950 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.767 2.267 1.345 1.00 0.00 C ATOM 0 H VAL A 115 -0.522 2.335 4.089 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.619 4.715 2.745 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.906 1.983 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.438 2.751 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.492 3.810 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.609 4.326 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.358 1.564 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.440 3.088 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.895 1.756 1.753 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.464 5.181 4.447 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.292 5.627 5.563 1.00 0.00 C ATOM 1784 C TRP A 116 -5.773 5.556 5.207 1.00 0.00 C ATOM 1785 O TRP A 116 -6.165 5.835 4.073 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.919 7.056 5.960 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.679 7.566 7.146 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.762 6.986 8.380 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.462 8.763 7.211 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.549 7.750 9.207 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.991 8.846 8.513 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.768 9.773 6.294 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.807 9.899 8.919 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.579 10.817 6.699 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -7.089 10.874 8.002 1.00 0.00 C ATOM 0 H TRP A 116 -3.607 5.701 3.581 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.109 4.962 6.407 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.852 7.097 6.178 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.097 7.718 5.113 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.280 6.062 8.664 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.769 7.536 10.180 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.378 9.738 5.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.203 9.944 9.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.823 11.602 5.999 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.717 11.704 8.289 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.591 5.181 6.186 1.00 0.00 N ATOM 1807 CA GLU A 117 -8.031 5.071 5.985 1.00 0.00 C ATOM 1808 C GLU A 117 -8.777 5.265 7.302 1.00 0.00 C ATOM 1809 O GLU A 117 -8.483 4.601 8.295 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.379 3.708 5.382 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.872 3.488 5.190 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.176 2.452 4.125 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.353 2.293 3.199 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.237 1.800 4.217 1.00 0.00 O ATOM 0 H GLU A 117 -6.279 4.948 7.129 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.340 5.855 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.879 3.608 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.985 2.923 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.314 3.172 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.343 4.433 4.918 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.739 6.182 7.304 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.522 6.464 8.499 1.00 0.00 C ATOM 1823 C GLN A 118 -11.878 5.767 8.442 1.00 0.00 C ATOM 1824 O GLN A 118 -12.228 5.147 7.438 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.722 7.972 8.654 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.492 8.792 8.301 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.446 9.172 6.834 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.258 9.967 6.362 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.492 8.605 6.105 1.00 0.00 N ATOM 0 H GLN A 118 -9.994 6.742 6.491 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.974 6.082 9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.551 8.286 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.008 8.188 9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.477 9.697 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.597 8.224 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.840 7.951 6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.411 8.823 5.112 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.638 5.878 9.527 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.958 5.264 9.604 1.00 0.00 C ATOM 1840 C VAL A 119 -15.048 6.327 9.710 1.00 0.00 C ATOM 1841 O VAL A 119 -16.128 6.183 9.137 1.00 0.00 O ATOM 1842 CB VAL A 119 -14.063 4.306 10.807 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.850 5.058 12.113 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.406 3.591 10.808 1.00 0.00 C ATOM 0 H VAL A 119 -12.361 6.388 10.366 1.00 0.00 H new ATOM 0 HA VAL A 119 -14.100 4.693 8.686 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.278 3.555 10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.928 4.364 12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.861 5.515 12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.608 5.834 12.214 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.460 2.920 11.665 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.209 4.325 10.871 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.512 3.015 9.889 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.753 7.395 10.444 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.704 8.487 10.626 1.00 0.00 C ATOM 1856 C TRP A 120 -15.646 9.464 9.454 1.00 0.00 C ATOM 1857 O TRP A 120 -16.596 10.207 9.207 1.00 0.00 O ATOM 1858 CB TRP A 120 -15.416 9.226 11.933 1.00 0.00 C ATOM 1859 CG TRP A 120 -14.010 9.735 12.027 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -13.524 10.902 11.512 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.906 9.090 12.672 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -12.186 11.023 11.800 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.784 9.923 12.511 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.759 7.888 13.372 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -10.532 9.594 13.024 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.516 7.562 13.880 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -10.417 8.412 13.705 1.00 0.00 C ATOM 0 H TRP A 120 -13.862 7.528 10.923 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.706 8.059 10.669 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -16.106 10.064 12.028 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.610 8.557 12.771 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -14.106 11.624 10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.589 11.804 11.529 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.601 7.227 13.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.683 10.247 12.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -11.390 6.636 14.421 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.459 8.129 14.116 1.00 0.00 H new ATOM 1878 N MET A 121 -14.529 9.457 8.733 1.00 0.00 N ATOM 1879 CA MET A 121 -14.352 10.340 7.587 1.00 0.00 C ATOM 1880 C MET A 121 -14.675 9.608 6.289 1.00 0.00 C ATOM 1881 O MET A 121 -15.040 10.227 5.289 1.00 0.00 O ATOM 1882 CB MET A 121 -12.918 10.873 7.543 1.00 0.00 C ATOM 1883 CG MET A 121 -12.675 11.873 6.424 1.00 0.00 C ATOM 1884 SD MET A 121 -12.657 13.579 7.007 1.00 0.00 S ATOM 1885 CE MET A 121 -10.905 13.942 6.942 1.00 0.00 C ATOM 0 H MET A 121 -13.733 8.849 8.923 1.00 0.00 H new ATOM 0 HA MET A 121 -15.039 11.179 7.694 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.685 11.345 8.498 1.00 0.00 H new ATOM 0 HB3 MET A 121 -12.231 10.035 7.426 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.724 11.648 5.942 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.451 11.760 5.667 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.733 14.966 7.274 1.00 0.00 H new ATOM 0 HE2 MET A 121 -10.366 13.254 7.593 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.548 13.828 5.919 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.538 8.286 6.314 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.814 7.464 5.143 1.00 0.00 C ATOM 1897 C ASN A 122 -13.872 7.817 3.996 1.00 0.00 C ATOM 1898 O ASN A 122 -14.275 7.840 2.833 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.268 7.639 4.700 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.207 6.681 5.407 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.177 6.695 6.734 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.951 5.938 4.767 1.00 0.00 N flip ATOM 0 H ASN A 122 -14.237 7.761 7.135 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.650 6.421 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.584 8.664 4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.338 7.484 3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.941 5.961 3.747 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.578 5.299 5.256 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.616 8.090 4.333 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.616 8.441 3.332 1.00 0.00 C ATOM 1911 C PHE A 123 -10.396 7.532 3.440 1.00 0.00 C ATOM 1912 O PHE A 123 -9.976 7.167 4.538 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.196 9.904 3.492 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.857 10.829 2.511 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -11.923 10.502 1.166 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -12.413 12.026 2.934 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -12.531 11.351 0.261 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -13.022 12.880 2.033 1.00 0.00 C ATOM 1919 CZ PHE A 123 -13.081 12.542 0.695 1.00 0.00 C ATOM 0 H PHE A 123 -12.267 8.075 5.291 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.060 8.305 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.432 10.233 4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.115 9.978 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -11.494 9.573 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.370 12.295 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -12.576 11.084 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -13.451 13.810 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 123 -13.556 13.207 -0.011 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.833 7.170 2.292 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.660 6.304 2.254 1.00 0.00 C ATOM 1931 C ARG A 124 -7.775 6.645 1.059 1.00 0.00 C ATOM 1932 O ARG A 124 -8.262 6.800 -0.061 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.088 4.835 2.193 1.00 0.00 C ATOM 1934 CG ARG A 124 -9.741 4.440 0.878 1.00 0.00 C ATOM 1935 CD ARG A 124 -8.703 4.101 -0.180 1.00 0.00 C ATOM 1936 NE ARG A 124 -8.824 2.722 -0.645 1.00 0.00 N ATOM 1937 CZ ARG A 124 -9.732 2.315 -1.530 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -10.599 3.177 -2.046 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -9.772 1.042 -1.901 1.00 0.00 N ATOM 0 H ARG A 124 -10.170 7.463 1.375 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.084 6.466 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.214 4.205 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.784 4.635 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.393 3.581 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.370 5.256 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.813 4.780 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -7.705 4.259 0.228 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.175 2.030 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.572 4.157 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.292 2.859 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.107 0.375 -1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.467 0.730 -2.579 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.474 6.761 1.303 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.528 7.086 0.242 1.00 0.00 C ATOM 1955 C GLN A 125 -4.099 6.752 0.658 1.00 0.00 C ATOM 1956 O GLN A 125 -3.837 6.437 1.819 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.630 8.568 -0.124 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.231 9.503 1.006 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.171 10.684 1.146 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.023 10.919 0.290 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.020 11.435 2.231 1.00 0.00 N ATOM 0 H GLN A 125 -6.052 6.635 2.223 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.782 6.483 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -4.995 8.765 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.654 8.790 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.211 8.946 1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.219 9.868 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.300 11.203 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.624 12.243 2.380 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.179 6.827 -0.299 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.775 6.537 -0.034 1.00 0.00 C ATOM 1972 C LEU A 126 -1.108 7.711 0.676 1.00 0.00 C ATOM 1973 O LEU A 126 -1.260 8.863 0.269 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.041 6.229 -1.342 1.00 0.00 C ATOM 1975 CG LEU A 126 0.477 6.067 -1.214 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.946 4.811 -1.933 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.193 7.293 -1.762 1.00 0.00 C ATOM 0 H LEU A 126 -3.381 7.086 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.722 5.663 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.454 5.313 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.247 7.029 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 126 0.722 5.968 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.027 4.715 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.461 3.939 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.687 4.878 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.270 7.160 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.939 7.423 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.883 8.176 -1.202 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.370 7.412 1.739 1.00 0.00 N ATOM 1990 CA GLN A 127 0.317 8.444 2.505 1.00 0.00 C ATOM 1991 C GLN A 127 1.721 8.683 1.962 1.00 0.00 C ATOM 1992 O GLN A 127 2.040 9.780 1.502 1.00 0.00 O ATOM 1993 CB GLN A 127 0.385 8.052 3.984 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.644 8.760 4.852 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.032 8.762 4.238 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.768 9.744 4.342 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.398 7.660 3.593 1.00 0.00 N ATOM 0 H GLN A 127 -0.232 6.464 2.089 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.250 9.370 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.242 6.975 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.382 8.274 4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.684 8.276 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.325 9.789 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.757 6.869 3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.320 7.605 3.160 1.00 0.00 H new ATOM 2006 N GLU A 128 2.559 7.653 2.018 1.00 0.00 N ATOM 2007 CA GLU A 128 3.929 7.761 1.532 1.00 0.00 C ATOM 2008 C GLU A 128 4.416 6.439 0.947 1.00 0.00 C ATOM 2009 O GLU A 128 3.910 5.367 1.288 1.00 0.00 O ATOM 2010 CB GLU A 128 4.870 8.202 2.659 1.00 0.00 C ATOM 2011 CG GLU A 128 4.238 9.162 3.656 1.00 0.00 C ATOM 2012 CD GLU A 128 4.105 10.569 3.107 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.817 10.896 2.134 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.290 11.343 3.649 1.00 0.00 O1- ATOM 0 H GLU A 128 2.314 6.737 2.394 1.00 0.00 H new ATOM 0 HA GLU A 128 3.937 8.513 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.219 7.318 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.748 8.677 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.252 8.791 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.841 9.186 4.564 1.00 0.00 H new ATOM 2021 N PHE A 129 5.410 6.530 0.070 1.00 0.00 N ATOM 2022 CA PHE A 129 5.990 5.356 -0.570 1.00 0.00 C ATOM 2023 C PHE A 129 7.510 5.474 -0.612 1.00 0.00 C ATOM 2024 O PHE A 129 8.058 6.289 -1.353 1.00 0.00 O ATOM 2025 CB PHE A 129 5.438 5.197 -1.989 1.00 0.00 C ATOM 2026 CG PHE A 129 5.444 3.779 -2.486 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.541 3.272 -3.165 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.351 2.953 -2.277 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.547 1.970 -3.626 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.352 1.649 -2.736 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.452 1.157 -3.412 1.00 0.00 C ATOM 0 H PHE A 129 5.833 7.413 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 129 5.721 4.475 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.417 5.578 -2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 129 6.026 5.813 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.401 3.902 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.488 3.332 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.408 1.588 -4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.494 1.016 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.455 0.139 -3.772 1.00 0.00 H new ATOM 2041 N THR A 130 8.186 4.661 0.193 1.00 0.00 N ATOM 2042 CA THR A 130 9.644 4.685 0.250 1.00 0.00 C ATOM 2043 C THR A 130 10.238 3.567 -0.598 1.00 0.00 C ATOM 2044 O THR A 130 9.617 2.523 -0.788 1.00 0.00 O ATOM 2045 CB THR A 130 10.125 4.552 1.697 1.00 0.00 C ATOM 2046 OG1 THR A 130 10.080 3.201 2.120 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.309 5.367 2.678 1.00 0.00 C ATOM 0 H THR A 130 7.750 3.979 0.813 1.00 0.00 H new ATOM 0 HA THR A 130 9.981 5.641 -0.150 1.00 0.00 H new ATOM 0 HB THR A 130 11.147 4.931 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.393 3.138 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.704 5.227 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.365 6.422 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.270 5.040 2.647 1.00 0.00 H new ATOM 2055 N TYR A 131 11.442 3.795 -1.111 1.00 0.00 N ATOM 2056 CA TYR A 131 12.114 2.804 -1.943 1.00 0.00 C ATOM 2057 C TYR A 131 13.330 2.223 -1.231 1.00 0.00 C ATOM 2058 O TYR A 131 14.327 2.914 -1.020 1.00 0.00 O ATOM 2059 CB TYR A 131 12.537 3.428 -3.274 1.00 0.00 C ATOM 2060 CG TYR A 131 13.295 4.728 -3.121 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.622 5.939 -3.021 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.684 4.743 -3.075 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.312 7.128 -2.881 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.380 5.928 -2.935 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.690 7.118 -2.838 1.00 0.00 C ATOM 2066 OH TYR A 131 15.380 8.300 -2.698 1.00 0.00 O ATOM 0 H TYR A 131 11.971 4.655 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 131 11.411 1.994 -2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 131 13.159 2.717 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.649 3.604 -3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.543 5.951 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 131 15.228 3.813 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.774 8.061 -2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.459 5.922 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 131 16.343 8.117 -2.684 1.00 0.00 H new ATOM 2076 N LEU A 132 13.243 0.948 -0.864 1.00 0.00 N ATOM 2077 CA LEU A 132 14.338 0.275 -0.178 1.00 0.00 C ATOM 2078 C LEU A 132 15.282 -0.384 -1.179 1.00 0.00 C ATOM 2079 O LEU A 132 15.174 -0.164 -2.385 1.00 0.00 O ATOM 2080 CB LEU A 132 13.796 -0.776 0.796 1.00 0.00 C ATOM 2081 CG LEU A 132 12.480 -0.408 1.486 1.00 0.00 C ATOM 2082 CD1 LEU A 132 12.098 -1.470 2.505 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.591 0.956 2.150 1.00 0.00 C ATOM 0 H LEU A 132 12.425 0.361 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 132 14.894 1.025 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.655 -1.711 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.550 -0.962 1.561 1.00 0.00 H new ATOM 0 HG LEU A 132 11.695 -0.360 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.160 -1.192 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.978 -2.430 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.882 -1.550 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.647 1.202 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.387 0.935 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.819 1.710 1.397 1.00 0.00 H new ATOM 2095 N GLY A 133 16.206 -1.192 -0.671 1.00 0.00 N ATOM 2096 CA GLY A 133 17.154 -1.870 -1.535 1.00 0.00 C ATOM 2097 C GLY A 133 16.511 -2.983 -2.339 1.00 0.00 C ATOM 2098 O GLY A 133 16.358 -2.871 -3.556 1.00 0.00 O ATOM 0 H GLY A 133 16.315 -1.390 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.603 -1.147 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.962 -2.282 -0.930 1.00 0.00 H new ATOM 2102 N ASP A 134 16.134 -4.060 -1.658 1.00 0.00 N ATOM 2103 CA ASP A 134 15.504 -5.199 -2.315 1.00 0.00 C ATOM 2104 C ASP A 134 15.106 -6.262 -1.296 1.00 0.00 C ATOM 2105 O ASP A 134 15.531 -6.219 -0.142 1.00 0.00 O ATOM 2106 CB ASP A 134 16.449 -5.803 -3.356 1.00 0.00 C ATOM 2107 CG ASP A 134 15.719 -6.652 -4.377 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.494 -6.466 -4.538 1.00 0.00 O ATOM 2109 OD2 ASP A 134 16.372 -7.503 -5.018 1.00 0.00 O1- ATOM 0 H ASP A 134 16.254 -4.168 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 134 14.603 -4.844 -2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.981 -5.001 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.199 -6.412 -2.851 1.00 0.00 H new ATOM 2114 N ALA A 135 14.289 -7.216 -1.731 1.00 0.00 N ATOM 2115 CA ALA A 135 13.835 -8.290 -0.856 1.00 0.00 C ATOM 2116 C ALA A 135 14.273 -9.652 -1.385 1.00 0.00 C ATOM 2117 O ALA A 135 14.342 -9.811 -2.622 1.00 0.00 O ATOM 2118 CB ALA A 135 12.322 -8.243 -0.705 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.545 -10.547 -0.558 1.00 0.00 O ATOM 0 H ALA A 135 13.928 -7.267 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 135 14.292 -8.145 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.997 -9.050 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.029 -7.285 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.855 -8.359 -1.683 1.00 0.00 H new