USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 66 ASN : amide:sc= -0.271 X(o=-0.0046,f=0) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 161:sc= 0.266 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -98:sc= 0.0835 (180deg=0) USER MOD Single : A 4 MET CE :methyl -150:sc= -0.264 (180deg=-1.75) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc=-0.00599 (180deg=-0.121) USER MOD Single : A 13 THR OG1 : rot 75:sc= 0.0176 USER MOD Single : A 14 ASN : amide:sc= -2.8 K(o=-2.8,f=-10!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 33:sc= 0.0491 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 49:sc= -0.908 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.371 USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.848 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -159:sc= -0.521 (180deg=-1.62!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.17) USER MOD Single : A 61 SER OG : rot 83:sc= 0.068 USER MOD Single : A 63 CYS SG : rot 158:sc= 0.105 USER MOD Single : A 64 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 70 MET CE :methyl 139:sc=-0.00947 (180deg=-0.0781) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.905 -0.762 0.926 1.00 0.00 N ATOM 2 CA ALA A 1 3.360 -0.645 -0.421 1.00 0.00 C ATOM 3 C ALA A 1 3.258 -2.010 -1.092 1.00 0.00 C ATOM 4 O ALA A 1 3.862 -2.983 -0.639 1.00 0.00 O ATOM 5 CB ALA A 1 4.217 0.294 -1.257 1.00 0.00 C ATOM 0 H1 ALA A 1 3.127 -0.762 1.616 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.440 -1.650 1.008 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.537 0.042 1.116 1.00 0.00 H new ATOM 0 HA ALA A 1 2.355 -0.231 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.799 0.372 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.235 1.280 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.233 -0.097 -1.317 1.00 0.00 H new ATOM 11 N ASP A 2 2.490 -2.076 -2.174 1.00 0.00 N ATOM 12 CA ASP A 2 2.309 -3.323 -2.909 1.00 0.00 C ATOM 13 C ASP A 2 3.034 -3.273 -4.250 1.00 0.00 C ATOM 14 O ASP A 2 3.190 -2.206 -4.844 1.00 0.00 O ATOM 15 CB ASP A 2 0.821 -3.598 -3.129 1.00 0.00 C ATOM 16 CG ASP A 2 0.018 -3.499 -1.847 1.00 0.00 C ATOM 17 OD1 ASP A 2 0.188 -4.372 -0.971 1.00 0.00 O ATOM 18 OD2 ASP A 2 -0.782 -2.547 -1.720 1.00 0.00 O ATOM 0 H ASP A 2 1.983 -1.281 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 2 2.736 -4.132 -2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.427 -2.888 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.698 -4.593 -3.556 1.00 0.00 H new ATOM 23 N ASP A 3 3.475 -4.434 -4.722 1.00 0.00 N ATOM 24 CA ASP A 3 4.184 -4.524 -5.993 1.00 0.00 C ATOM 25 C ASP A 3 3.209 -4.447 -7.164 1.00 0.00 C ATOM 26 O ASP A 3 3.372 -3.627 -8.067 1.00 0.00 O ATOM 27 CB ASP A 3 4.985 -5.824 -6.064 1.00 0.00 C ATOM 28 CG ASP A 3 6.076 -5.890 -5.014 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.736 -4.856 -4.778 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.271 -6.976 -4.427 1.00 0.00 O ATOM 0 H ASP A 3 3.354 -5.326 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 3 4.871 -3.680 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.310 -6.670 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.431 -5.919 -7.054 1.00 0.00 H new ATOM 35 N MET A 4 2.198 -5.309 -7.143 1.00 0.00 N ATOM 36 CA MET A 4 1.197 -5.338 -8.204 1.00 0.00 C ATOM 37 C MET A 4 0.629 -3.945 -8.454 1.00 0.00 C ATOM 38 O MET A 4 0.231 -3.620 -9.572 1.00 0.00 O ATOM 39 CB MET A 4 0.068 -6.305 -7.842 1.00 0.00 C ATOM 40 CG MET A 4 0.559 -7.638 -7.302 1.00 0.00 C ATOM 41 SD MET A 4 1.850 -8.370 -8.326 1.00 0.00 S ATOM 42 CE MET A 4 1.069 -8.327 -9.937 1.00 0.00 C ATOM 0 H MET A 4 2.050 -5.996 -6.404 1.00 0.00 H new ATOM 0 HA MET A 4 1.682 -5.682 -9.118 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.576 -5.836 -7.098 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.544 -6.484 -8.726 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.939 -7.498 -6.290 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.281 -8.329 -7.234 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.435 -9.157 -10.541 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.011 -8.413 -9.820 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.307 -7.385 -10.432 1.00 0.00 H new ATOM 52 N GLU A 5 0.595 -3.128 -7.407 1.00 0.00 N ATOM 53 CA GLU A 5 0.074 -1.770 -7.515 1.00 0.00 C ATOM 54 C GLU A 5 0.955 -0.920 -8.426 1.00 0.00 C ATOM 55 O GLU A 5 0.456 -0.164 -9.260 1.00 0.00 O ATOM 56 CB GLU A 5 -0.020 -1.124 -6.131 1.00 0.00 C ATOM 57 CG GLU A 5 -0.942 0.083 -6.083 1.00 0.00 C ATOM 58 CD GLU A 5 -1.467 0.361 -4.688 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.194 -0.497 -4.145 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.151 1.438 -4.140 1.00 0.00 O ATOM 0 H GLU A 5 0.922 -3.382 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.924 -1.825 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.371 -1.868 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.977 -0.821 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.406 0.960 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.782 -0.079 -6.758 1.00 0.00 H new ATOM 67 N ARG A 6 2.267 -1.050 -8.260 1.00 0.00 N ATOM 68 CA ARG A 6 3.218 -0.293 -9.065 1.00 0.00 C ATOM 69 C ARG A 6 2.998 -0.554 -10.553 1.00 0.00 C ATOM 70 O ARG A 6 2.702 0.365 -11.316 1.00 0.00 O ATOM 71 CB ARG A 6 4.652 -0.660 -8.678 1.00 0.00 C ATOM 72 CG ARG A 6 4.992 -0.341 -7.232 1.00 0.00 C ATOM 73 CD ARG A 6 5.289 1.138 -7.042 1.00 0.00 C ATOM 74 NE ARG A 6 6.099 1.386 -5.853 1.00 0.00 N ATOM 75 CZ ARG A 6 6.288 2.593 -5.331 1.00 0.00 C ATOM 76 NH1 ARG A 6 5.728 3.656 -5.890 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.040 2.738 -4.247 1.00 0.00 N ATOM 0 H ARG A 6 2.696 -1.673 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 6 3.057 0.768 -8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.805 -1.725 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.343 -0.128 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.161 -0.632 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.856 -0.929 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.809 1.519 -7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.352 1.689 -6.963 1.00 0.00 H new ATOM 0 HE ARG A 6 6.544 0.589 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.150 3.549 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.875 4.581 -5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.473 1.922 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.185 3.665 -3.847 1.00 0.00 H new ATOM 91 N ILE A 7 3.147 -1.811 -10.956 1.00 0.00 N ATOM 92 CA ILE A 7 2.965 -2.192 -12.351 1.00 0.00 C ATOM 93 C ILE A 7 1.618 -1.712 -12.880 1.00 0.00 C ATOM 94 O ILE A 7 1.536 -1.124 -13.959 1.00 0.00 O ATOM 95 CB ILE A 7 3.062 -3.718 -12.536 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.337 -4.252 -11.880 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.030 -4.076 -14.014 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.095 -4.922 -10.545 1.00 0.00 C ATOM 0 H ILE A 7 3.393 -2.583 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 7 3.766 -1.715 -12.915 1.00 0.00 H new ATOM 0 HB ILE A 7 2.204 -4.184 -12.052 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.812 -4.965 -12.554 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.037 -3.428 -11.742 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.099 -5.158 -14.128 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.097 -3.724 -14.454 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.871 -3.603 -14.521 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.042 -5.276 -10.139 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.649 -4.207 -9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.419 -5.767 -10.679 1.00 0.00 H new ATOM 110 N PHE A 8 0.563 -1.965 -12.113 1.00 0.00 N ATOM 111 CA PHE A 8 -0.782 -1.559 -12.504 1.00 0.00 C ATOM 112 C PHE A 8 -0.821 -0.073 -12.852 1.00 0.00 C ATOM 113 O PHE A 8 -1.515 0.341 -13.781 1.00 0.00 O ATOM 114 CB PHE A 8 -1.775 -1.857 -11.379 1.00 0.00 C ATOM 115 CG PHE A 8 -3.148 -1.302 -11.629 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.070 -2.010 -12.384 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.518 -0.072 -11.110 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.334 -1.503 -12.615 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.781 0.441 -11.338 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.690 -0.275 -12.093 1.00 0.00 C ATOM 0 H PHE A 8 0.613 -2.449 -11.217 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.065 -2.130 -13.389 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.847 -2.936 -11.245 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.390 -1.445 -10.446 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.797 -2.970 -12.797 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.811 0.493 -10.520 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.043 -2.066 -13.203 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.057 1.401 -10.926 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.677 0.125 -12.275 1.00 0.00 H new ATOM 130 N LYS A 9 -0.072 0.724 -12.099 1.00 0.00 N ATOM 131 CA LYS A 9 -0.019 2.164 -12.326 1.00 0.00 C ATOM 132 C LYS A 9 0.978 2.504 -13.430 1.00 0.00 C ATOM 133 O LYS A 9 0.919 3.583 -14.021 1.00 0.00 O ATOM 134 CB LYS A 9 0.366 2.890 -11.035 1.00 0.00 C ATOM 135 CG LYS A 9 -0.721 2.863 -9.975 1.00 0.00 C ATOM 136 CD LYS A 9 -0.133 2.856 -8.574 1.00 0.00 C ATOM 137 CE LYS A 9 0.692 4.106 -8.309 1.00 0.00 C ATOM 138 NZ LYS A 9 -0.144 5.338 -8.335 1.00 0.00 N ATOM 0 H LYS A 9 0.507 0.398 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.009 2.494 -12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.270 2.436 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.608 3.927 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.369 3.732 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.344 1.979 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.937 2.787 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.492 1.972 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.181 4.019 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.480 4.186 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.414 6.143 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.453 5.527 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.977 5.205 -7.727 1.00 0.00 H new ATOM 152 N ARG A 10 1.890 1.577 -13.704 1.00 0.00 N ATOM 153 CA ARG A 10 2.898 1.780 -14.737 1.00 0.00 C ATOM 154 C ARG A 10 2.247 2.139 -16.069 1.00 0.00 C ATOM 155 O ARG A 10 2.630 3.114 -16.717 1.00 0.00 O ATOM 156 CB ARG A 10 3.754 0.522 -14.898 1.00 0.00 C ATOM 157 CG ARG A 10 5.121 0.789 -15.505 1.00 0.00 C ATOM 158 CD ARG A 10 5.757 -0.489 -16.031 1.00 0.00 C ATOM 159 NE ARG A 10 7.198 -0.346 -16.218 1.00 0.00 N ATOM 160 CZ ARG A 10 8.010 -1.366 -16.473 1.00 0.00 C ATOM 161 NH1 ARG A 10 7.525 -2.596 -16.570 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.311 -1.156 -16.631 1.00 0.00 N ATOM 0 H ARG A 10 1.951 0.678 -13.225 1.00 0.00 H new ATOM 0 HA ARG A 10 3.536 2.609 -14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.884 0.054 -13.922 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.221 -0.192 -15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.025 1.510 -16.317 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.772 1.238 -14.755 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.561 -1.305 -15.335 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.294 -0.761 -16.979 1.00 0.00 H new ATOM 0 HE ARG A 10 7.603 0.588 -16.149 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.526 -2.761 -16.449 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.151 -3.377 -16.766 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.688 -0.211 -16.557 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.934 -1.940 -16.827 1.00 0.00 H new ATOM 176 N PHE A 11 1.261 1.345 -16.473 1.00 0.00 N ATOM 177 CA PHE A 11 0.558 1.578 -17.729 1.00 0.00 C ATOM 178 C PHE A 11 -0.527 2.638 -17.556 1.00 0.00 C ATOM 179 O PHE A 11 -1.011 3.211 -18.532 1.00 0.00 O ATOM 180 CB PHE A 11 -0.062 0.276 -18.240 1.00 0.00 C ATOM 181 CG PHE A 11 0.919 -0.857 -18.339 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.264 -0.608 -18.563 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.497 -2.170 -18.207 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.168 -1.649 -18.655 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.397 -3.215 -18.298 1.00 0.00 C ATOM 186 CZ PHE A 11 2.735 -2.953 -18.521 1.00 0.00 C ATOM 0 H PHE A 11 0.931 0.535 -15.949 1.00 0.00 H new ATOM 0 HA PHE A 11 1.281 1.939 -18.460 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.875 -0.015 -17.575 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.501 0.453 -19.222 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.609 0.410 -18.667 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.548 -2.379 -18.031 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.213 -1.443 -18.832 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.055 -4.234 -18.195 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.441 -3.767 -18.590 1.00 0.00 H new ATOM 196 N ASP A 12 -0.904 2.891 -16.308 1.00 0.00 N ATOM 197 CA ASP A 12 -1.931 3.882 -16.006 1.00 0.00 C ATOM 198 C ASP A 12 -1.321 5.274 -15.874 1.00 0.00 C ATOM 199 O ASP A 12 -1.532 5.964 -14.876 1.00 0.00 O ATOM 200 CB ASP A 12 -2.665 3.509 -14.717 1.00 0.00 C ATOM 201 CG ASP A 12 -4.137 3.871 -14.764 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.526 4.661 -15.649 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.899 3.364 -13.915 1.00 0.00 O ATOM 0 H ASP A 12 -0.514 2.424 -15.489 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.644 3.894 -16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.562 2.438 -14.541 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.195 4.017 -13.875 1.00 0.00 H new ATOM 208 N THR A 13 -0.563 5.681 -16.887 1.00 0.00 N ATOM 209 CA THR A 13 0.079 6.989 -16.884 1.00 0.00 C ATOM 210 C THR A 13 -0.743 8.007 -17.666 1.00 0.00 C ATOM 211 O THR A 13 -0.287 9.120 -17.924 1.00 0.00 O ATOM 212 CB THR A 13 1.496 6.921 -17.484 1.00 0.00 C ATOM 213 OG1 THR A 13 2.147 5.716 -17.066 1.00 0.00 O ATOM 214 CG2 THR A 13 2.323 8.124 -17.057 1.00 0.00 C ATOM 0 H THR A 13 -0.379 5.123 -17.721 1.00 0.00 H new ATOM 0 HA THR A 13 0.148 7.304 -15.843 1.00 0.00 H new ATOM 0 HB THR A 13 1.407 6.928 -18.570 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.780 4.956 -17.564 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.320 8.054 -17.493 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.840 9.038 -17.401 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.403 8.143 -15.970 1.00 0.00 H new ATOM 222 N ASN A 14 -1.957 7.618 -18.041 1.00 0.00 N ATOM 223 CA ASN A 14 -2.843 8.498 -18.795 1.00 0.00 C ATOM 224 C ASN A 14 -3.783 9.253 -17.860 1.00 0.00 C ATOM 225 O ASN A 14 -4.334 10.291 -18.222 1.00 0.00 O ATOM 226 CB ASN A 14 -3.655 7.691 -19.810 1.00 0.00 C ATOM 227 CG ASN A 14 -4.713 6.828 -19.149 1.00 0.00 C ATOM 228 OD1 ASN A 14 -5.888 7.192 -19.104 1.00 0.00 O ATOM 229 ND2 ASN A 14 -4.299 5.676 -18.633 1.00 0.00 N ATOM 0 H ASN A 14 -2.350 6.699 -17.835 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.228 9.223 -19.327 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.133 8.373 -20.513 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.982 7.057 -20.388 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.965 5.053 -18.177 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.315 5.415 -18.693 1.00 0.00 H new ATOM 236 N GLY A 15 -3.961 8.722 -16.653 1.00 0.00 N ATOM 237 CA GLY A 15 -4.835 9.359 -15.685 1.00 0.00 C ATOM 238 C GLY A 15 -6.181 8.671 -15.578 1.00 0.00 C ATOM 239 O GLY A 15 -7.171 9.287 -15.182 1.00 0.00 O ATOM 0 H GLY A 15 -3.516 7.863 -16.329 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.352 9.358 -14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.985 10.401 -15.966 1.00 0.00 H new ATOM 243 N ASP A 16 -6.220 7.392 -15.934 1.00 0.00 N ATOM 244 CA ASP A 16 -7.456 6.620 -15.877 1.00 0.00 C ATOM 245 C ASP A 16 -7.412 5.608 -14.736 1.00 0.00 C ATOM 246 O ASP A 16 -6.400 5.475 -14.049 1.00 0.00 O ATOM 247 CB ASP A 16 -7.694 5.899 -17.205 1.00 0.00 C ATOM 248 CG ASP A 16 -8.478 6.744 -18.189 1.00 0.00 C ATOM 249 OD1 ASP A 16 -8.443 7.987 -18.066 1.00 0.00 O ATOM 250 OD2 ASP A 16 -9.127 6.163 -19.084 1.00 0.00 O ATOM 0 H ASP A 16 -5.410 6.868 -16.265 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.279 7.311 -15.695 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.734 5.629 -17.646 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.232 4.969 -17.019 1.00 0.00 H new ATOM 255 N GLY A 17 -8.518 4.897 -14.539 1.00 0.00 N ATOM 256 CA GLY A 17 -8.586 3.907 -13.480 1.00 0.00 C ATOM 257 C GLY A 17 -8.256 2.511 -13.969 1.00 0.00 C ATOM 258 O GLY A 17 -8.224 1.562 -13.185 1.00 0.00 O ATOM 0 H GLY A 17 -9.369 4.989 -15.094 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.894 4.183 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.587 3.910 -13.048 1.00 0.00 H new ATOM 262 N LYS A 18 -8.013 2.383 -15.269 1.00 0.00 N ATOM 263 CA LYS A 18 -7.685 1.093 -15.863 1.00 0.00 C ATOM 264 C LYS A 18 -6.442 1.198 -16.740 1.00 0.00 C ATOM 265 O LYS A 18 -5.926 2.292 -16.973 1.00 0.00 O ATOM 266 CB LYS A 18 -8.864 0.575 -16.691 1.00 0.00 C ATOM 267 CG LYS A 18 -10.146 0.416 -15.892 1.00 0.00 C ATOM 268 CD LYS A 18 -11.268 -0.150 -16.745 1.00 0.00 C ATOM 269 CE LYS A 18 -12.588 0.552 -16.467 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.755 -0.330 -16.747 1.00 0.00 N ATOM 0 H LYS A 18 -8.037 3.158 -15.932 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.480 0.391 -15.055 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.045 1.261 -17.519 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.596 -0.387 -17.127 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.967 -0.242 -15.042 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.447 1.383 -15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.014 -0.044 -17.800 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.374 -1.217 -16.548 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.617 0.872 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.657 1.451 -17.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.636 0.185 -16.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.742 -0.616 -17.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.703 -1.176 -16.145 1.00 0.00 H new ATOM 284 N ILE A 19 -5.966 0.055 -17.224 1.00 0.00 N ATOM 285 CA ILE A 19 -4.785 0.021 -18.077 1.00 0.00 C ATOM 286 C ILE A 19 -5.000 -0.895 -19.277 1.00 0.00 C ATOM 287 O ILE A 19 -5.553 -1.987 -19.147 1.00 0.00 O ATOM 288 CB ILE A 19 -3.543 -0.455 -17.299 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.810 -1.814 -16.650 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.151 0.573 -16.247 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.644 -2.337 -15.841 1.00 0.00 C ATOM 0 H ILE A 19 -6.380 -0.859 -17.040 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.618 1.040 -18.426 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.714 -0.565 -17.999 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.683 -1.733 -16.003 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.055 -2.537 -17.428 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.272 0.223 -15.706 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.924 1.522 -16.733 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.976 0.711 -15.548 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.905 -3.304 -15.410 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.774 -2.450 -16.488 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.412 -1.634 -15.041 1.00 0.00 H new ATOM 303 N SER A 20 -4.558 -0.443 -20.446 1.00 0.00 N ATOM 304 CA SER A 20 -4.704 -1.220 -21.671 1.00 0.00 C ATOM 305 C SER A 20 -4.025 -2.580 -21.536 1.00 0.00 C ATOM 306 O SER A 20 -2.819 -2.664 -21.300 1.00 0.00 O ATOM 307 CB SER A 20 -4.112 -0.457 -22.858 1.00 0.00 C ATOM 308 OG SER A 20 -4.804 -0.761 -24.056 1.00 0.00 O ATOM 0 H SER A 20 -4.096 0.458 -20.571 1.00 0.00 H new ATOM 0 HA SER A 20 -5.768 -1.380 -21.846 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.163 0.615 -22.667 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.058 -0.711 -22.969 1.00 0.00 H new ATOM 0 HG SER A 20 -5.747 -0.934 -23.854 1.00 0.00 H new ATOM 314 N LEU A 21 -4.808 -3.642 -21.687 1.00 0.00 N ATOM 315 CA LEU A 21 -4.285 -5.000 -21.582 1.00 0.00 C ATOM 316 C LEU A 21 -3.740 -5.478 -22.924 1.00 0.00 C ATOM 317 O LEU A 21 -3.009 -6.466 -22.991 1.00 0.00 O ATOM 318 CB LEU A 21 -5.377 -5.952 -21.093 1.00 0.00 C ATOM 319 CG LEU A 21 -6.766 -5.749 -21.699 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.734 -5.994 -23.200 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.780 -6.665 -21.029 1.00 0.00 C ATOM 0 H LEU A 21 -5.808 -3.589 -21.883 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.468 -4.994 -20.860 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.059 -6.974 -21.299 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.457 -5.855 -20.010 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.069 -4.716 -21.526 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.731 -5.845 -23.614 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.039 -5.297 -23.668 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.409 -7.016 -23.395 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.763 -6.507 -21.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.481 -7.704 -21.170 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.823 -6.442 -19.963 1.00 0.00 H new ATOM 333 N SER A 22 -4.100 -4.770 -23.989 1.00 0.00 N ATOM 334 CA SER A 22 -3.649 -5.124 -25.330 1.00 0.00 C ATOM 335 C SER A 22 -2.241 -4.596 -25.586 1.00 0.00 C ATOM 336 O SER A 22 -1.401 -5.290 -26.158 1.00 0.00 O ATOM 337 CB SER A 22 -4.613 -4.567 -26.379 1.00 0.00 C ATOM 338 OG SER A 22 -5.794 -5.346 -26.451 1.00 0.00 O ATOM 0 H SER A 22 -4.703 -3.948 -23.950 1.00 0.00 H new ATOM 0 HA SER A 22 -3.630 -6.211 -25.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.868 -3.536 -26.132 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.125 -4.550 -27.353 1.00 0.00 H new ATOM 0 HG SER A 22 -6.394 -4.968 -27.127 1.00 0.00 H new ATOM 344 N GLU A 23 -1.991 -3.362 -25.158 1.00 0.00 N ATOM 345 CA GLU A 23 -0.685 -2.740 -25.342 1.00 0.00 C ATOM 346 C GLU A 23 0.354 -3.375 -24.422 1.00 0.00 C ATOM 347 O GLU A 23 1.551 -3.355 -24.711 1.00 0.00 O ATOM 348 CB GLU A 23 -0.769 -1.236 -25.074 1.00 0.00 C ATOM 349 CG GLU A 23 -1.767 -0.514 -25.964 1.00 0.00 C ATOM 350 CD GLU A 23 -1.138 0.008 -27.241 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.743 -0.818 -28.089 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.042 1.244 -27.392 1.00 0.00 O ATOM 0 H GLU A 23 -2.675 -2.774 -24.682 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.377 -2.900 -26.375 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.043 -1.076 -24.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.217 -0.795 -25.216 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.582 -1.193 -26.216 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.205 0.318 -25.412 1.00 0.00 H new ATOM 359 N LEU A 24 -0.112 -3.936 -23.312 1.00 0.00 N ATOM 360 CA LEU A 24 0.776 -4.577 -22.347 1.00 0.00 C ATOM 361 C LEU A 24 1.497 -5.764 -22.977 1.00 0.00 C ATOM 362 O LEU A 24 2.725 -5.778 -23.076 1.00 0.00 O ATOM 363 CB LEU A 24 -0.017 -5.037 -21.123 1.00 0.00 C ATOM 364 CG LEU A 24 0.662 -6.085 -20.239 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.329 -7.488 -20.723 1.00 0.00 C ATOM 366 CD2 LEU A 24 2.168 -5.870 -20.218 1.00 0.00 C ATOM 0 H LEU A 24 -1.099 -3.960 -23.057 1.00 0.00 H new ATOM 0 HA LEU A 24 1.522 -3.847 -22.035 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.241 -4.164 -20.510 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.971 -5.440 -21.463 1.00 0.00 H new ATOM 0 HG LEU A 24 0.285 -5.974 -19.222 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.821 -8.220 -20.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.750 -7.639 -20.686 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.677 -7.611 -21.748 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.634 -6.624 -19.584 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.562 -5.953 -21.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.388 -4.878 -19.823 1.00 0.00 H new ATOM 378 N THR A 25 0.727 -6.760 -23.403 1.00 0.00 N ATOM 379 CA THR A 25 1.291 -7.952 -24.024 1.00 0.00 C ATOM 380 C THR A 25 2.205 -7.585 -25.187 1.00 0.00 C ATOM 381 O THR A 25 3.208 -8.254 -25.436 1.00 0.00 O ATOM 382 CB THR A 25 0.187 -8.898 -24.532 1.00 0.00 C ATOM 383 OG1 THR A 25 0.753 -9.898 -25.386 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.882 -8.124 -25.288 1.00 0.00 C ATOM 0 H THR A 25 -0.290 -6.765 -23.329 1.00 0.00 H new ATOM 0 HA THR A 25 1.871 -8.464 -23.256 1.00 0.00 H new ATOM 0 HB THR A 25 -0.275 -9.378 -23.669 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.534 -10.297 -24.949 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.651 -8.813 -25.637 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.331 -7.383 -24.626 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.431 -7.620 -26.143 1.00 0.00 H new ATOM 392 N ASP A 26 1.853 -6.518 -25.896 1.00 0.00 N ATOM 393 CA ASP A 26 2.643 -6.061 -27.034 1.00 0.00 C ATOM 394 C ASP A 26 3.836 -5.232 -26.568 1.00 0.00 C ATOM 395 O ASP A 26 4.809 -5.060 -27.302 1.00 0.00 O ATOM 396 CB ASP A 26 1.776 -5.239 -27.987 1.00 0.00 C ATOM 397 CG ASP A 26 2.284 -5.280 -29.415 1.00 0.00 C ATOM 398 OD1 ASP A 26 1.941 -6.238 -30.139 1.00 0.00 O ATOM 399 OD2 ASP A 26 3.027 -4.356 -29.808 1.00 0.00 O ATOM 0 H ASP A 26 1.026 -5.953 -25.703 1.00 0.00 H new ATOM 0 HA ASP A 26 3.017 -6.938 -27.562 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.753 -5.614 -27.958 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.746 -4.204 -27.645 1.00 0.00 H new ATOM 404 N ALA A 27 3.753 -4.720 -25.344 1.00 0.00 N ATOM 405 CA ALA A 27 4.826 -3.910 -24.781 1.00 0.00 C ATOM 406 C ALA A 27 5.866 -4.783 -24.086 1.00 0.00 C ATOM 407 O ALA A 27 7.059 -4.475 -24.100 1.00 0.00 O ATOM 408 CB ALA A 27 4.259 -2.886 -23.809 1.00 0.00 C ATOM 0 H ALA A 27 2.954 -4.852 -24.724 1.00 0.00 H new ATOM 0 HA ALA A 27 5.319 -3.385 -25.599 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.071 -2.288 -23.396 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.559 -2.235 -24.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.740 -3.400 -23.000 1.00 0.00 H new ATOM 414 N LEU A 28 5.407 -5.871 -23.479 1.00 0.00 N ATOM 415 CA LEU A 28 6.299 -6.789 -22.778 1.00 0.00 C ATOM 416 C LEU A 28 7.466 -7.202 -23.668 1.00 0.00 C ATOM 417 O LEU A 28 8.532 -7.575 -23.178 1.00 0.00 O ATOM 418 CB LEU A 28 5.529 -8.029 -22.319 1.00 0.00 C ATOM 419 CG LEU A 28 4.997 -7.997 -20.886 1.00 0.00 C ATOM 420 CD1 LEU A 28 4.099 -9.195 -20.623 1.00 0.00 C ATOM 421 CD2 LEU A 28 6.148 -7.962 -19.891 1.00 0.00 C ATOM 0 H LEU A 28 4.423 -6.140 -23.458 1.00 0.00 H new ATOM 0 HA LEU A 28 6.698 -6.272 -21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.687 -8.180 -22.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.181 -8.896 -22.424 1.00 0.00 H new ATOM 0 HG LEU A 28 4.405 -7.091 -20.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.730 -9.155 -19.598 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.256 -9.176 -21.313 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.667 -10.114 -20.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.751 -7.939 -18.876 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.767 -8.850 -20.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.752 -7.071 -20.064 1.00 0.00 H new ATOM 433 N ARG A 29 7.257 -7.131 -24.979 1.00 0.00 N ATOM 434 CA ARG A 29 8.292 -7.497 -25.938 1.00 0.00 C ATOM 435 C ARG A 29 9.542 -6.643 -25.742 1.00 0.00 C ATOM 436 O ARG A 29 10.664 -7.107 -25.947 1.00 0.00 O ATOM 437 CB ARG A 29 7.772 -7.337 -27.368 1.00 0.00 C ATOM 438 CG ARG A 29 7.626 -5.889 -27.805 1.00 0.00 C ATOM 439 CD ARG A 29 6.921 -5.780 -29.148 1.00 0.00 C ATOM 440 NE ARG A 29 7.864 -5.598 -30.248 1.00 0.00 N ATOM 441 CZ ARG A 29 7.517 -5.141 -31.446 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.255 -4.820 -31.696 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.433 -5.003 -32.396 1.00 0.00 N ATOM 0 H ARG A 29 6.381 -6.823 -25.401 1.00 0.00 H new ATOM 0 HA ARG A 29 8.556 -8.541 -25.769 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.451 -7.847 -28.051 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.804 -7.832 -27.451 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.064 -5.336 -27.052 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.611 -5.427 -27.871 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.331 -6.680 -29.322 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.225 -4.942 -29.125 1.00 0.00 H new ATOM 0 HE ARG A 29 8.843 -5.835 -30.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.548 -4.924 -30.968 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.991 -4.469 -32.617 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.405 -5.248 -32.207 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.165 -4.652 -33.316 1.00 0.00 H new ATOM 457 N THR A 30 9.340 -5.391 -25.343 1.00 0.00 N ATOM 458 CA THR A 30 10.448 -4.471 -25.121 1.00 0.00 C ATOM 459 C THR A 30 11.108 -4.722 -23.770 1.00 0.00 C ATOM 460 O THR A 30 12.291 -4.434 -23.582 1.00 0.00 O ATOM 461 CB THR A 30 9.984 -3.004 -25.189 1.00 0.00 C ATOM 462 OG1 THR A 30 11.081 -2.159 -25.550 1.00 0.00 O ATOM 463 CG2 THR A 30 9.410 -2.556 -23.853 1.00 0.00 C ATOM 0 H THR A 30 8.418 -4.991 -25.167 1.00 0.00 H new ATOM 0 HA THR A 30 11.172 -4.651 -25.915 1.00 0.00 H new ATOM 0 HB THR A 30 9.204 -2.928 -25.946 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.777 -1.228 -25.592 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.089 -1.517 -23.925 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.556 -3.183 -23.595 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.173 -2.647 -23.080 1.00 0.00 H new ATOM 471 N LEU A 31 10.337 -5.260 -22.831 1.00 0.00 N ATOM 472 CA LEU A 31 10.847 -5.550 -21.496 1.00 0.00 C ATOM 473 C LEU A 31 11.739 -6.787 -21.511 1.00 0.00 C ATOM 474 O LEU A 31 12.351 -7.137 -20.502 1.00 0.00 O ATOM 475 CB LEU A 31 9.688 -5.755 -20.519 1.00 0.00 C ATOM 476 CG LEU A 31 9.290 -4.538 -19.684 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.466 -4.056 -18.848 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.778 -3.420 -20.581 1.00 0.00 C ATOM 0 H LEU A 31 9.356 -5.504 -22.970 1.00 0.00 H new ATOM 0 HA LEU A 31 11.443 -4.698 -21.169 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.816 -6.083 -21.085 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.951 -6.566 -19.840 1.00 0.00 H new ATOM 0 HG LEU A 31 8.487 -4.832 -19.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.164 -3.189 -18.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.788 -4.854 -18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.290 -3.779 -19.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.499 -2.562 -19.970 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.561 -3.128 -21.281 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.907 -3.769 -21.136 1.00 0.00 H new ATOM 490 N GLY A 32 11.810 -7.446 -22.664 1.00 0.00 N ATOM 491 CA GLY A 32 12.631 -8.636 -22.789 1.00 0.00 C ATOM 492 C GLY A 32 11.867 -9.904 -22.467 1.00 0.00 C ATOM 493 O GLY A 32 12.447 -10.988 -22.408 1.00 0.00 O ATOM 0 H GLY A 32 11.314 -7.177 -23.513 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.022 -8.699 -23.805 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.489 -8.553 -22.122 1.00 0.00 H new ATOM 497 N SER A 33 10.562 -9.770 -22.257 1.00 0.00 N ATOM 498 CA SER A 33 9.718 -10.914 -21.933 1.00 0.00 C ATOM 499 C SER A 33 9.600 -11.857 -23.127 1.00 0.00 C ATOM 500 O SER A 33 9.335 -11.427 -24.250 1.00 0.00 O ATOM 501 CB SER A 33 8.328 -10.444 -21.502 1.00 0.00 C ATOM 502 OG SER A 33 8.051 -10.828 -20.166 1.00 0.00 O ATOM 0 H SER A 33 10.066 -8.880 -22.305 1.00 0.00 H new ATOM 0 HA SER A 33 10.183 -11.455 -21.108 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.263 -9.360 -21.593 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.575 -10.866 -22.168 1.00 0.00 H new ATOM 0 HG SER A 33 7.118 -11.118 -20.096 1.00 0.00 H new ATOM 508 N THR A 34 9.800 -13.147 -22.875 1.00 0.00 N ATOM 509 CA THR A 34 9.718 -14.152 -23.928 1.00 0.00 C ATOM 510 C THR A 34 8.398 -14.912 -23.861 1.00 0.00 C ATOM 511 O THR A 34 8.308 -16.059 -24.297 1.00 0.00 O ATOM 512 CB THR A 34 10.881 -15.158 -23.835 1.00 0.00 C ATOM 513 OG1 THR A 34 10.877 -16.018 -24.981 1.00 0.00 O ATOM 514 CG2 THR A 34 10.775 -15.993 -22.568 1.00 0.00 C ATOM 0 H THR A 34 10.020 -13.520 -21.952 1.00 0.00 H new ATOM 0 HA THR A 34 9.781 -13.621 -24.878 1.00 0.00 H new ATOM 0 HB THR A 34 11.815 -14.598 -23.804 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.969 -16.352 -25.136 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.607 -16.696 -22.525 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.807 -15.338 -21.697 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.835 -16.544 -22.573 1.00 0.00 H new ATOM 522 N SER A 35 7.374 -14.264 -23.313 1.00 0.00 N ATOM 523 CA SER A 35 6.059 -14.880 -23.187 1.00 0.00 C ATOM 524 C SER A 35 4.962 -13.912 -23.621 1.00 0.00 C ATOM 525 O SER A 35 3.791 -14.095 -23.290 1.00 0.00 O ATOM 526 CB SER A 35 5.818 -15.327 -21.744 1.00 0.00 C ATOM 527 OG SER A 35 6.716 -16.360 -21.374 1.00 0.00 O ATOM 0 H SER A 35 7.431 -13.313 -22.949 1.00 0.00 H new ATOM 0 HA SER A 35 6.030 -15.752 -23.840 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.939 -14.478 -21.072 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.791 -15.677 -21.635 1.00 0.00 H new ATOM 0 HG SER A 35 6.543 -16.627 -20.447 1.00 0.00 H new ATOM 533 N ALA A 36 5.351 -12.880 -24.363 1.00 0.00 N ATOM 534 CA ALA A 36 4.402 -11.884 -24.844 1.00 0.00 C ATOM 535 C ALA A 36 3.241 -12.543 -25.581 1.00 0.00 C ATOM 536 O ALA A 36 2.138 -11.999 -25.632 1.00 0.00 O ATOM 537 CB ALA A 36 5.103 -10.881 -25.748 1.00 0.00 C ATOM 0 H ALA A 36 6.317 -12.712 -24.644 1.00 0.00 H new ATOM 0 HA ALA A 36 3.997 -11.357 -23.980 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.382 -10.143 -26.100 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.894 -10.379 -25.190 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.536 -11.402 -26.602 1.00 0.00 H new ATOM 543 N ASP A 37 3.497 -13.715 -26.149 1.00 0.00 N ATOM 544 CA ASP A 37 2.472 -14.449 -26.884 1.00 0.00 C ATOM 545 C ASP A 37 1.571 -15.226 -25.929 1.00 0.00 C ATOM 546 O ASP A 37 0.386 -15.420 -26.200 1.00 0.00 O ATOM 547 CB ASP A 37 3.119 -15.406 -27.886 1.00 0.00 C ATOM 548 CG ASP A 37 4.373 -14.828 -28.512 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.247 -14.024 -29.459 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.481 -15.180 -28.054 1.00 0.00 O ATOM 0 H ASP A 37 4.405 -14.178 -26.115 1.00 0.00 H new ATOM 0 HA ASP A 37 1.861 -13.727 -27.426 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.365 -16.341 -27.384 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.402 -15.645 -28.671 1.00 0.00 H new ATOM 555 N GLU A 38 2.141 -15.668 -24.813 1.00 0.00 N ATOM 556 CA GLU A 38 1.389 -16.425 -23.820 1.00 0.00 C ATOM 557 C GLU A 38 0.580 -15.493 -22.922 1.00 0.00 C ATOM 558 O GLU A 38 -0.514 -15.837 -22.475 1.00 0.00 O ATOM 559 CB GLU A 38 2.335 -17.276 -22.969 1.00 0.00 C ATOM 560 CG GLU A 38 1.618 -18.194 -21.994 1.00 0.00 C ATOM 561 CD GLU A 38 2.507 -19.312 -21.485 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.744 -19.147 -21.514 1.00 0.00 O ATOM 563 OE2 GLU A 38 1.965 -20.352 -21.056 1.00 0.00 O ATOM 0 H GLU A 38 3.121 -15.515 -24.574 1.00 0.00 H new ATOM 0 HA GLU A 38 0.698 -17.081 -24.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.961 -17.878 -23.628 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.001 -16.617 -22.412 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.256 -17.609 -21.149 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.743 -18.624 -22.482 1.00 0.00 H new ATOM 570 N VAL A 39 1.128 -14.310 -22.662 1.00 0.00 N ATOM 571 CA VAL A 39 0.459 -13.327 -21.818 1.00 0.00 C ATOM 572 C VAL A 39 -0.781 -12.766 -22.506 1.00 0.00 C ATOM 573 O VAL A 39 -1.761 -12.415 -21.849 1.00 0.00 O ATOM 574 CB VAL A 39 1.402 -12.164 -21.455 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.751 -11.353 -22.694 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.771 -11.280 -20.390 1.00 0.00 C ATOM 0 H VAL A 39 2.033 -14.009 -23.024 1.00 0.00 H new ATOM 0 HA VAL A 39 0.163 -13.843 -20.905 1.00 0.00 H new ATOM 0 HB VAL A 39 2.325 -12.580 -21.050 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.418 -10.536 -22.418 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.246 -11.996 -23.422 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.839 -10.946 -23.131 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.451 -10.464 -20.145 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.167 -10.871 -20.765 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.577 -11.871 -19.495 1.00 0.00 H new ATOM 586 N GLN A 40 -0.730 -12.685 -23.831 1.00 0.00 N ATOM 587 CA GLN A 40 -1.850 -12.166 -24.608 1.00 0.00 C ATOM 588 C GLN A 40 -3.084 -13.046 -24.439 1.00 0.00 C ATOM 589 O GLN A 40 -4.206 -12.548 -24.350 1.00 0.00 O ATOM 590 CB GLN A 40 -1.473 -12.074 -26.087 1.00 0.00 C ATOM 591 CG GLN A 40 -2.666 -12.164 -27.026 1.00 0.00 C ATOM 592 CD GLN A 40 -2.264 -12.115 -28.487 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.214 -12.850 -28.837 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.889 -11.425 -29.292 1.00 0.00 N flip ATOM 0 H GLN A 40 0.074 -12.972 -24.389 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.085 -11.168 -24.238 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.953 -11.132 -26.263 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.772 -12.874 -26.325 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.206 -13.091 -26.833 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.353 -11.344 -26.814 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.690 -10.876 -28.979 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.606 -11.402 -30.272 1.00 0.00 H new ATOM 603 N ARG A 41 -2.868 -14.357 -24.395 1.00 0.00 N ATOM 604 CA ARG A 41 -3.963 -15.307 -24.238 1.00 0.00 C ATOM 605 C ARG A 41 -4.345 -15.459 -22.769 1.00 0.00 C ATOM 606 O ARG A 41 -5.446 -15.904 -22.447 1.00 0.00 O ATOM 607 CB ARG A 41 -3.573 -16.668 -24.818 1.00 0.00 C ATOM 608 CG ARG A 41 -2.290 -17.234 -24.232 1.00 0.00 C ATOM 609 CD ARG A 41 -1.936 -18.574 -24.858 1.00 0.00 C ATOM 610 NE ARG A 41 -2.718 -19.668 -24.289 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.525 -20.946 -24.596 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.582 -21.288 -25.462 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.277 -21.885 -24.036 1.00 0.00 N ATOM 0 H ARG A 41 -1.945 -14.785 -24.466 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.825 -14.921 -24.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.385 -17.374 -24.643 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.459 -16.574 -25.898 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.474 -16.529 -24.392 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.402 -17.353 -23.154 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.107 -18.528 -25.934 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.874 -18.773 -24.712 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.452 -19.438 -23.619 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.002 -20.569 -25.895 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.436 -22.270 -25.696 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.004 -21.626 -23.369 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.128 -22.866 -24.272 1.00 0.00 H new ATOM 627 N MET A 42 -3.427 -15.086 -21.883 1.00 0.00 N ATOM 628 CA MET A 42 -3.669 -15.180 -20.448 1.00 0.00 C ATOM 629 C MET A 42 -4.525 -14.015 -19.963 1.00 0.00 C ATOM 630 O MET A 42 -5.513 -14.211 -19.256 1.00 0.00 O ATOM 631 CB MET A 42 -2.342 -15.205 -19.686 1.00 0.00 C ATOM 632 CG MET A 42 -1.552 -16.489 -19.883 1.00 0.00 C ATOM 633 SD MET A 42 -2.009 -17.772 -18.702 1.00 0.00 S ATOM 634 CE MET A 42 -1.947 -19.228 -19.743 1.00 0.00 C ATOM 0 H MET A 42 -2.510 -14.716 -22.133 1.00 0.00 H new ATOM 0 HA MET A 42 -4.208 -16.108 -20.256 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.732 -14.360 -20.007 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.540 -15.070 -18.623 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.713 -16.859 -20.896 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.488 -16.275 -19.787 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.207 -20.108 -19.154 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.656 -19.119 -20.564 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.941 -19.345 -20.146 1.00 0.00 H new ATOM 644 N MET A 43 -4.139 -12.802 -20.347 1.00 0.00 N ATOM 645 CA MET A 43 -4.873 -11.606 -19.951 1.00 0.00 C ATOM 646 C MET A 43 -6.348 -11.727 -20.319 1.00 0.00 C ATOM 647 O MET A 43 -7.204 -11.086 -19.709 1.00 0.00 O ATOM 648 CB MET A 43 -4.269 -10.368 -20.617 1.00 0.00 C ATOM 649 CG MET A 43 -4.086 -10.514 -22.119 1.00 0.00 C ATOM 650 SD MET A 43 -5.278 -9.543 -23.061 1.00 0.00 S ATOM 651 CE MET A 43 -4.241 -8.924 -24.383 1.00 0.00 C ATOM 0 H MET A 43 -3.323 -12.622 -20.931 1.00 0.00 H new ATOM 0 HA MET A 43 -4.794 -11.503 -18.869 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.911 -9.510 -20.419 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.302 -10.155 -20.160 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.076 -10.205 -22.390 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.182 -11.565 -22.392 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.702 -8.039 -24.823 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.261 -8.663 -23.984 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.129 -9.693 -25.148 1.00 0.00 H new ATOM 661 N ALA A 44 -6.638 -12.551 -21.320 1.00 0.00 N ATOM 662 CA ALA A 44 -8.010 -12.757 -21.767 1.00 0.00 C ATOM 663 C ALA A 44 -8.868 -13.349 -20.654 1.00 0.00 C ATOM 664 O ALA A 44 -10.094 -13.251 -20.684 1.00 0.00 O ATOM 665 CB ALA A 44 -8.037 -13.658 -22.992 1.00 0.00 C ATOM 0 H ALA A 44 -5.941 -13.087 -21.837 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.427 -11.786 -22.034 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.068 -13.803 -23.314 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.467 -13.195 -23.797 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.596 -14.623 -22.744 1.00 0.00 H new ATOM 671 N GLU A 45 -8.214 -13.964 -19.673 1.00 0.00 N ATOM 672 CA GLU A 45 -8.918 -14.573 -18.551 1.00 0.00 C ATOM 673 C GLU A 45 -9.441 -13.506 -17.593 1.00 0.00 C ATOM 674 O GLU A 45 -10.605 -13.535 -17.191 1.00 0.00 O ATOM 675 CB GLU A 45 -7.995 -15.537 -17.803 1.00 0.00 C ATOM 676 CG GLU A 45 -7.550 -16.725 -18.640 1.00 0.00 C ATOM 677 CD GLU A 45 -8.519 -17.889 -18.562 1.00 0.00 C ATOM 678 OE1 GLU A 45 -8.603 -18.521 -17.488 1.00 0.00 O ATOM 679 OE2 GLU A 45 -9.193 -18.168 -19.576 1.00 0.00 O ATOM 0 H GLU A 45 -7.199 -14.053 -19.633 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.768 -15.129 -18.947 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.114 -14.993 -17.462 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.508 -15.902 -16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.445 -16.414 -19.679 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.566 -17.053 -18.305 1.00 0.00 H new ATOM 686 N ILE A 46 -8.573 -12.568 -17.231 1.00 0.00 N ATOM 687 CA ILE A 46 -8.946 -11.492 -16.321 1.00 0.00 C ATOM 688 C ILE A 46 -9.925 -10.528 -16.982 1.00 0.00 C ATOM 689 O ILE A 46 -10.786 -9.950 -16.320 1.00 0.00 O ATOM 690 CB ILE A 46 -7.712 -10.705 -15.843 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.927 -10.167 -17.041 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.826 -11.586 -14.975 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.800 -9.235 -16.656 1.00 0.00 C ATOM 0 H ILE A 46 -7.606 -12.531 -17.554 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.424 -11.959 -15.460 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.049 -9.859 -15.244 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.517 -11.006 -17.603 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.611 -9.641 -17.707 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.958 -11.016 -14.645 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.390 -11.925 -14.106 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.495 -12.450 -15.552 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.288 -8.893 -17.555 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.205 -8.377 -16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.094 -9.763 -16.015 1.00 0.00 H new ATOM 705 N ASP A 47 -9.788 -10.360 -18.294 1.00 0.00 N ATOM 706 CA ASP A 47 -10.661 -9.467 -19.046 1.00 0.00 C ATOM 707 C ASP A 47 -11.971 -10.161 -19.404 1.00 0.00 C ATOM 708 O ASP A 47 -12.008 -11.031 -20.276 1.00 0.00 O ATOM 709 CB ASP A 47 -9.960 -8.987 -20.318 1.00 0.00 C ATOM 710 CG ASP A 47 -10.607 -7.746 -20.900 1.00 0.00 C ATOM 711 OD1 ASP A 47 -10.475 -6.625 -20.201 1.00 0.00 O ATOM 712 OD2 ASP A 47 -11.219 -7.795 -21.967 1.00 0.00 O ATOM 0 H ASP A 47 -9.080 -10.831 -18.858 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.887 -8.606 -18.417 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.913 -8.778 -20.096 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.975 -9.784 -21.061 1.00 0.00 H new ATOM 717 N THR A 48 -13.046 -9.771 -18.727 1.00 0.00 N ATOM 718 CA THR A 48 -14.359 -10.355 -18.973 1.00 0.00 C ATOM 719 C THR A 48 -15.197 -9.463 -19.881 1.00 0.00 C ATOM 720 O THR A 48 -16.171 -9.914 -20.483 1.00 0.00 O ATOM 721 CB THR A 48 -15.124 -10.592 -17.657 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.270 -11.415 -17.898 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.562 -9.272 -17.041 1.00 0.00 C ATOM 0 H THR A 48 -13.033 -9.052 -18.003 1.00 0.00 H new ATOM 0 HA THR A 48 -14.191 -11.313 -19.465 1.00 0.00 H new ATOM 0 HB THR A 48 -14.455 -11.096 -16.959 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.750 -11.562 -17.056 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.100 -9.464 -16.113 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.685 -8.659 -16.832 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.215 -8.745 -17.736 1.00 0.00 H new ATOM 731 N ASP A 49 -14.811 -8.195 -19.976 1.00 0.00 N ATOM 732 CA ASP A 49 -15.526 -7.239 -20.814 1.00 0.00 C ATOM 733 C ASP A 49 -14.934 -7.199 -22.219 1.00 0.00 C ATOM 734 O ASP A 49 -15.356 -6.405 -23.059 1.00 0.00 O ATOM 735 CB ASP A 49 -15.479 -5.845 -20.187 1.00 0.00 C ATOM 736 CG ASP A 49 -14.894 -5.858 -18.788 1.00 0.00 C ATOM 737 OD1 ASP A 49 -13.654 -5.785 -18.663 1.00 0.00 O ATOM 738 OD2 ASP A 49 -15.677 -5.941 -17.819 1.00 0.00 O ATOM 0 H ASP A 49 -14.007 -7.806 -19.483 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.565 -7.562 -20.886 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.885 -5.185 -20.820 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.487 -5.431 -20.152 1.00 0.00 H new ATOM 743 N GLY A 50 -13.954 -8.062 -22.468 1.00 0.00 N ATOM 744 CA GLY A 50 -13.319 -8.107 -23.773 1.00 0.00 C ATOM 745 C GLY A 50 -12.924 -6.732 -24.273 1.00 0.00 C ATOM 746 O GLY A 50 -12.917 -6.481 -25.479 1.00 0.00 O ATOM 0 H GLY A 50 -13.588 -8.731 -21.790 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.433 -8.740 -23.721 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.999 -8.569 -24.489 1.00 0.00 H new ATOM 750 N ASP A 51 -12.595 -5.839 -23.347 1.00 0.00 N ATOM 751 CA ASP A 51 -12.197 -4.481 -23.701 1.00 0.00 C ATOM 752 C ASP A 51 -10.692 -4.296 -23.537 1.00 0.00 C ATOM 753 O ASP A 51 -10.013 -5.138 -22.950 1.00 0.00 O ATOM 754 CB ASP A 51 -12.945 -3.466 -22.835 1.00 0.00 C ATOM 755 CG ASP A 51 -12.467 -3.468 -21.397 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.456 -4.551 -20.776 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.102 -2.385 -20.892 1.00 0.00 O ATOM 0 H ASP A 51 -12.596 -6.030 -22.345 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.454 -4.314 -24.747 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.816 -2.469 -23.256 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.012 -3.688 -22.860 1.00 0.00 H new ATOM 762 N GLY A 52 -10.176 -3.189 -24.063 1.00 0.00 N ATOM 763 CA GLY A 52 -8.754 -2.914 -23.966 1.00 0.00 C ATOM 764 C GLY A 52 -8.393 -2.170 -22.696 1.00 0.00 C ATOM 765 O GLY A 52 -7.717 -1.141 -22.741 1.00 0.00 O ATOM 0 H GLY A 52 -10.717 -2.478 -24.555 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.202 -3.853 -24.003 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.441 -2.327 -24.829 1.00 0.00 H new ATOM 769 N PHE A 53 -8.846 -2.688 -21.559 1.00 0.00 N ATOM 770 CA PHE A 53 -8.568 -2.063 -20.270 1.00 0.00 C ATOM 771 C PHE A 53 -8.829 -3.039 -19.126 1.00 0.00 C ATOM 772 O PHE A 53 -9.697 -3.907 -19.222 1.00 0.00 O ATOM 773 CB PHE A 53 -9.427 -0.809 -20.092 1.00 0.00 C ATOM 774 CG PHE A 53 -8.817 0.425 -20.692 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.700 1.011 -20.118 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.359 0.999 -21.831 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.137 2.148 -20.667 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.800 2.135 -22.385 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.687 2.709 -21.803 1.00 0.00 C ATOM 0 H PHE A 53 -9.407 -3.538 -21.503 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.516 -1.780 -20.250 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.403 -0.980 -20.546 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.595 -0.641 -19.028 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.264 0.574 -19.231 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.229 0.553 -22.291 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.268 2.597 -20.208 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.233 2.573 -23.272 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.247 3.595 -22.236 1.00 0.00 H new ATOM 789 N ILE A 54 -8.071 -2.889 -18.045 1.00 0.00 N ATOM 790 CA ILE A 54 -8.220 -3.756 -16.883 1.00 0.00 C ATOM 791 C ILE A 54 -8.087 -2.964 -15.586 1.00 0.00 C ATOM 792 O ILE A 54 -7.228 -2.090 -15.466 1.00 0.00 O ATOM 793 CB ILE A 54 -7.177 -4.889 -16.888 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.762 -4.310 -16.822 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.343 -5.756 -18.127 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.683 -5.364 -16.713 1.00 0.00 C ATOM 0 H ILE A 54 -7.348 -2.176 -17.950 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.218 -4.191 -16.940 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.335 -5.512 -16.008 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.582 -3.708 -17.713 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.692 -3.640 -15.965 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.599 -6.552 -18.116 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.342 -6.193 -18.134 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.208 -5.145 -19.019 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.706 -4.882 -16.671 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.838 -5.951 -15.807 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.726 -6.020 -17.582 1.00 0.00 H new ATOM 808 N ASP A 55 -8.942 -3.276 -14.618 1.00 0.00 N ATOM 809 CA ASP A 55 -8.919 -2.596 -13.329 1.00 0.00 C ATOM 810 C ASP A 55 -8.077 -3.372 -12.320 1.00 0.00 C ATOM 811 O ASP A 55 -7.587 -4.463 -12.614 1.00 0.00 O ATOM 812 CB ASP A 55 -10.341 -2.419 -12.796 1.00 0.00 C ATOM 813 CG ASP A 55 -11.357 -2.234 -13.906 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.664 -3.225 -14.601 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.845 -1.098 -14.080 1.00 0.00 O ATOM 0 H ASP A 55 -9.660 -3.996 -14.702 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.468 -1.614 -13.472 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.613 -3.290 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.372 -1.555 -12.132 1.00 0.00 H new ATOM 820 N PHE A 56 -7.913 -2.802 -11.131 1.00 0.00 N ATOM 821 CA PHE A 56 -7.129 -3.439 -10.079 1.00 0.00 C ATOM 822 C PHE A 56 -7.549 -4.894 -9.894 1.00 0.00 C ATOM 823 O PHE A 56 -6.709 -5.777 -9.725 1.00 0.00 O ATOM 824 CB PHE A 56 -7.290 -2.678 -8.762 1.00 0.00 C ATOM 825 CG PHE A 56 -6.125 -2.843 -7.828 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.832 -2.606 -8.265 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.324 -3.235 -6.514 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.757 -2.757 -7.408 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.254 -3.387 -5.653 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.969 -3.149 -6.101 1.00 0.00 C ATOM 0 H PHE A 56 -8.313 -1.900 -10.872 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.081 -3.417 -10.377 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.425 -1.618 -8.978 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.197 -3.019 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.661 -2.300 -9.287 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.326 -3.424 -6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.754 -2.569 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.422 -3.692 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.131 -3.269 -5.430 1.00 0.00 H new ATOM 840 N ASN A 57 -8.856 -5.136 -9.925 1.00 0.00 N ATOM 841 CA ASN A 57 -9.389 -6.483 -9.760 1.00 0.00 C ATOM 842 C ASN A 57 -9.010 -7.368 -10.943 1.00 0.00 C ATOM 843 O ASN A 57 -8.688 -8.543 -10.774 1.00 0.00 O ATOM 844 CB ASN A 57 -10.911 -6.437 -9.610 1.00 0.00 C ATOM 845 CG ASN A 57 -11.386 -7.103 -8.333 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.368 -7.847 -8.336 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.691 -6.839 -7.233 1.00 0.00 N ATOM 0 H ASN A 57 -9.565 -4.416 -10.063 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.954 -6.910 -8.856 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.243 -5.399 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.373 -6.928 -10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.964 -7.259 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.884 -6.217 -7.277 1.00 0.00 H new ATOM 854 N GLU A 58 -9.050 -6.793 -12.141 1.00 0.00 N ATOM 855 CA GLU A 58 -8.710 -7.530 -13.353 1.00 0.00 C ATOM 856 C GLU A 58 -7.224 -7.876 -13.381 1.00 0.00 C ATOM 857 O GLU A 58 -6.849 -9.041 -13.517 1.00 0.00 O ATOM 858 CB GLU A 58 -9.078 -6.712 -14.593 1.00 0.00 C ATOM 859 CG GLU A 58 -10.566 -6.714 -14.904 1.00 0.00 C ATOM 860 CD GLU A 58 -10.864 -6.290 -16.329 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.224 -6.829 -17.256 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.739 -5.418 -16.517 1.00 0.00 O ATOM 0 H GLU A 58 -9.314 -5.820 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.281 -8.458 -13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.746 -5.683 -14.451 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.535 -7.106 -15.452 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.968 -7.713 -14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.079 -6.043 -14.214 1.00 0.00 H new ATOM 869 N PHE A 59 -6.383 -6.856 -13.252 1.00 0.00 N ATOM 870 CA PHE A 59 -4.938 -7.051 -13.264 1.00 0.00 C ATOM 871 C PHE A 59 -4.509 -8.012 -12.159 1.00 0.00 C ATOM 872 O PHE A 59 -3.613 -8.834 -12.350 1.00 0.00 O ATOM 873 CB PHE A 59 -4.219 -5.710 -13.097 1.00 0.00 C ATOM 874 CG PHE A 59 -2.736 -5.793 -13.318 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.226 -6.353 -14.478 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.852 -5.312 -12.366 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.861 -6.430 -14.686 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.487 -5.386 -12.568 1.00 0.00 C ATOM 879 CZ PHE A 59 0.009 -5.947 -13.728 1.00 0.00 C ATOM 0 H PHE A 59 -6.677 -5.886 -13.138 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.664 -7.485 -14.225 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.643 -4.990 -13.797 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.408 -5.328 -12.094 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.902 -6.734 -15.229 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.234 -4.874 -11.456 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.476 -6.867 -15.596 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.191 -5.005 -11.819 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.076 -6.008 -13.886 1.00 0.00 H new ATOM 889 N ILE A 60 -5.155 -7.900 -11.003 1.00 0.00 N ATOM 890 CA ILE A 60 -4.842 -8.759 -9.867 1.00 0.00 C ATOM 891 C ILE A 60 -5.186 -10.214 -10.167 1.00 0.00 C ATOM 892 O ILE A 60 -4.384 -11.115 -9.920 1.00 0.00 O ATOM 893 CB ILE A 60 -5.598 -8.315 -8.601 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.905 -7.109 -7.963 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.691 -9.465 -7.609 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.622 -7.461 -7.243 1.00 0.00 C ATOM 0 H ILE A 60 -5.898 -7.223 -10.828 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.770 -8.671 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.609 -8.022 -8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.688 -6.373 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.590 -6.637 -7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.228 -9.136 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.224 -10.298 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.688 -9.786 -7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.185 -6.558 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.836 -8.173 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.919 -7.905 -7.948 1.00 0.00 H new ATOM 908 N SER A 61 -6.382 -10.436 -10.702 1.00 0.00 N ATOM 909 CA SER A 61 -6.833 -11.782 -11.035 1.00 0.00 C ATOM 910 C SER A 61 -5.770 -12.529 -11.835 1.00 0.00 C ATOM 911 O SER A 61 -5.700 -13.758 -11.801 1.00 0.00 O ATOM 912 CB SER A 61 -8.139 -11.724 -11.829 1.00 0.00 C ATOM 913 OG SER A 61 -9.258 -11.627 -10.965 1.00 0.00 O ATOM 0 H SER A 61 -7.056 -9.701 -10.914 1.00 0.00 H new ATOM 0 HA SER A 61 -7.007 -12.321 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.121 -10.867 -12.503 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.231 -12.616 -12.449 1.00 0.00 H new ATOM 0 HG SER A 61 -9.386 -10.693 -10.699 1.00 0.00 H new ATOM 919 N PHE A 62 -4.944 -11.777 -12.555 1.00 0.00 N ATOM 920 CA PHE A 62 -3.885 -12.367 -13.366 1.00 0.00 C ATOM 921 C PHE A 62 -2.795 -12.968 -12.483 1.00 0.00 C ATOM 922 O PHE A 62 -2.311 -14.071 -12.740 1.00 0.00 O ATOM 923 CB PHE A 62 -3.280 -11.313 -14.296 1.00 0.00 C ATOM 924 CG PHE A 62 -2.583 -11.898 -15.491 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.568 -12.828 -15.331 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.943 -11.519 -16.774 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.925 -13.367 -16.429 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.303 -12.056 -17.876 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.294 -12.982 -17.703 1.00 0.00 C ATOM 0 H PHE A 62 -4.987 -10.759 -12.593 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.322 -13.164 -13.967 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.070 -10.644 -14.637 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.571 -10.707 -13.732 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.276 -13.135 -14.337 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.733 -10.796 -16.915 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.134 -14.089 -16.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.592 -11.751 -18.871 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.794 -13.405 -18.562 1.00 0.00 H new ATOM 939 N CYS A 63 -2.414 -12.235 -11.443 1.00 0.00 N ATOM 940 CA CYS A 63 -1.380 -12.695 -10.522 1.00 0.00 C ATOM 941 C CYS A 63 -1.925 -13.766 -9.583 1.00 0.00 C ATOM 942 O CYS A 63 -1.274 -14.780 -9.337 1.00 0.00 O ATOM 943 CB CYS A 63 -0.831 -11.520 -9.711 1.00 0.00 C ATOM 944 SG CYS A 63 0.481 -11.972 -8.552 1.00 0.00 S ATOM 0 H CYS A 63 -2.805 -11.321 -11.216 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.572 -13.130 -11.110 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.450 -10.765 -10.398 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.649 -11.062 -9.156 1.00 0.00 H new ATOM 0 HG CYS A 63 1.191 -10.920 -8.269 1.00 0.00 H new ATOM 950 N ASN A 64 -3.125 -13.532 -9.060 1.00 0.00 N ATOM 951 CA ASN A 64 -3.757 -14.476 -8.145 1.00 0.00 C ATOM 952 C ASN A 64 -3.896 -15.850 -8.792 1.00 0.00 C ATOM 953 O ASN A 64 -3.983 -16.866 -8.103 1.00 0.00 O ATOM 954 CB ASN A 64 -5.132 -13.959 -7.717 1.00 0.00 C ATOM 955 CG ASN A 64 -5.133 -13.423 -6.299 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.625 -14.074 -5.377 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.580 -12.229 -6.118 1.00 0.00 N ATOM 0 H ASN A 64 -3.679 -12.698 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.122 -14.572 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.450 -13.171 -8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.861 -14.765 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.551 -11.816 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.184 -11.725 -6.911 1.00 0.00 H new ATOM 964 N ALA A 65 -3.916 -15.873 -10.121 1.00 0.00 N ATOM 965 CA ALA A 65 -4.041 -17.122 -10.862 1.00 0.00 C ATOM 966 C ALA A 65 -2.697 -17.833 -10.971 1.00 0.00 C ATOM 967 O ALA A 65 -2.638 -19.032 -11.241 1.00 0.00 O ATOM 968 CB ALA A 65 -4.616 -16.859 -12.246 1.00 0.00 C ATOM 0 H ALA A 65 -3.847 -15.041 -10.706 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.723 -17.773 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.704 -17.800 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.601 -16.402 -12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.956 -16.186 -12.792 1.00 0.00 H new ATOM 974 N ASN A 66 -1.618 -17.086 -10.760 1.00 0.00 N ATOM 975 CA ASN A 66 -0.274 -17.645 -10.836 1.00 0.00 C ATOM 976 C ASN A 66 -0.093 -18.454 -12.117 1.00 0.00 C ATOM 977 O ASN A 66 0.290 -19.624 -12.093 1.00 0.00 O ATOM 978 CB ASN A 66 0.003 -18.529 -9.618 1.00 0.00 C ATOM 979 CG ASN A 66 0.219 -17.720 -8.354 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.332 -17.647 -7.832 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.848 -17.107 -7.855 1.00 0.00 N ATOM 0 H ASN A 66 -1.649 -16.092 -10.535 1.00 0.00 H new ATOM 0 HA ASN A 66 0.436 -16.818 -10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.833 -19.212 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.884 -19.141 -9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.764 -16.548 -7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.751 -17.195 -8.321 1.00 0.00 H new ATOM 988 N PRO A 67 -0.374 -17.817 -13.264 1.00 0.00 N ATOM 989 CA PRO A 67 -0.248 -18.457 -14.576 1.00 0.00 C ATOM 990 C PRO A 67 1.205 -18.713 -14.960 1.00 0.00 C ATOM 991 O PRO A 67 1.506 -19.643 -15.708 1.00 0.00 O ATOM 992 CB PRO A 67 -0.882 -17.441 -15.529 1.00 0.00 C ATOM 993 CG PRO A 67 -0.731 -16.129 -14.838 1.00 0.00 C ATOM 994 CD PRO A 67 -0.834 -16.422 -13.367 1.00 0.00 C ATOM 0 HA PRO A 67 -0.724 -19.437 -14.598 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.380 -17.439 -16.497 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.931 -17.673 -15.714 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.228 -15.669 -15.078 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.507 -15.431 -15.152 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.211 -15.749 -12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.856 -16.308 -13.005 1.00 0.00 H new ATOM 1002 N GLY A 68 2.105 -17.882 -14.442 1.00 0.00 N ATOM 1003 CA GLY A 68 3.516 -18.036 -14.742 1.00 0.00 C ATOM 1004 C GLY A 68 4.039 -16.939 -15.650 1.00 0.00 C ATOM 1005 O GLY A 68 5.156 -17.026 -16.160 1.00 0.00 O ATOM 0 H GLY A 68 1.882 -17.105 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.084 -18.035 -13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.680 -19.004 -15.215 1.00 0.00 H new ATOM 1009 N LEU A 69 3.230 -15.906 -15.852 1.00 0.00 N ATOM 1010 CA LEU A 69 3.616 -14.788 -16.706 1.00 0.00 C ATOM 1011 C LEU A 69 4.068 -13.595 -15.870 1.00 0.00 C ATOM 1012 O LEU A 69 5.205 -13.139 -15.986 1.00 0.00 O ATOM 1013 CB LEU A 69 2.448 -14.381 -17.606 1.00 0.00 C ATOM 1014 CG LEU A 69 2.002 -15.418 -18.638 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.151 -15.772 -19.570 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.471 -16.664 -17.946 1.00 0.00 C ATOM 0 H LEU A 69 2.303 -15.819 -15.436 1.00 0.00 H new ATOM 0 HA LEU A 69 4.451 -15.110 -17.328 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.595 -14.138 -16.972 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.723 -13.468 -18.134 1.00 0.00 H new ATOM 0 HG LEU A 69 1.198 -14.987 -19.234 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.815 -16.511 -20.297 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.486 -14.875 -20.092 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.977 -16.184 -18.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.158 -17.391 -18.695 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.255 -17.097 -17.325 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.619 -16.398 -17.321 1.00 0.00 H new ATOM 1028 N MET A 70 3.171 -13.096 -15.027 1.00 0.00 N ATOM 1029 CA MET A 70 3.479 -11.958 -14.168 1.00 0.00 C ATOM 1030 C MET A 70 4.658 -12.272 -13.253 1.00 0.00 C ATOM 1031 O MET A 70 5.338 -11.368 -12.767 1.00 0.00 O ATOM 1032 CB MET A 70 2.256 -11.577 -13.331 1.00 0.00 C ATOM 1033 CG MET A 70 1.000 -11.356 -14.158 1.00 0.00 C ATOM 1034 SD MET A 70 0.488 -9.628 -14.196 1.00 0.00 S ATOM 1035 CE MET A 70 1.636 -8.961 -15.399 1.00 0.00 C ATOM 0 H MET A 70 2.225 -13.461 -14.920 1.00 0.00 H new ATOM 0 HA MET A 70 3.750 -11.116 -14.805 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.067 -12.363 -12.600 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.477 -10.668 -12.771 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.175 -11.701 -15.177 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.190 -11.962 -13.751 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.113 -8.264 -16.054 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.441 -8.439 -14.883 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.053 -9.774 -15.993 1.00 0.00 H new ATOM 1045 N LYS A 71 4.896 -13.558 -13.021 1.00 0.00 N ATOM 1046 CA LYS A 71 5.993 -13.992 -12.165 1.00 0.00 C ATOM 1047 C LYS A 71 7.296 -13.304 -12.559 1.00 0.00 C ATOM 1048 O LYS A 71 8.033 -12.813 -11.704 1.00 0.00 O ATOM 1049 CB LYS A 71 6.162 -15.511 -12.247 1.00 0.00 C ATOM 1050 CG LYS A 71 4.906 -16.283 -11.881 1.00 0.00 C ATOM 1051 CD LYS A 71 4.653 -16.258 -10.383 1.00 0.00 C ATOM 1052 CE LYS A 71 3.586 -15.239 -10.014 1.00 0.00 C ATOM 1053 NZ LYS A 71 3.271 -15.266 -8.559 1.00 0.00 N ATOM 0 H LYS A 71 4.343 -14.319 -13.415 1.00 0.00 H new ATOM 0 HA LYS A 71 5.751 -13.714 -11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.462 -15.781 -13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.971 -15.815 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.050 -15.855 -12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.001 -17.315 -12.218 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.343 -17.248 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.580 -16.021 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.925 -14.241 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.680 -15.440 -10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.802 -14.378 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.639 -16.067 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.151 -15.372 -8.015 1.00 0.00 H new ATOM 1067 N ASP A 72 7.573 -13.271 -13.858 1.00 0.00 N ATOM 1068 CA ASP A 72 8.785 -12.639 -14.366 1.00 0.00 C ATOM 1069 C ASP A 72 8.580 -11.140 -14.554 1.00 0.00 C ATOM 1070 O ASP A 72 9.527 -10.358 -14.475 1.00 0.00 O ATOM 1071 CB ASP A 72 9.202 -13.280 -15.691 1.00 0.00 C ATOM 1072 CG ASP A 72 10.323 -12.520 -16.373 1.00 0.00 C ATOM 1073 OD1 ASP A 72 10.023 -11.560 -17.114 1.00 0.00 O ATOM 1074 OD2 ASP A 72 11.499 -12.885 -16.168 1.00 0.00 O ATOM 0 H ASP A 72 6.974 -13.675 -14.578 1.00 0.00 H new ATOM 0 HA ASP A 72 9.578 -12.789 -13.633 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.520 -14.307 -15.511 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.340 -13.326 -16.357 1.00 0.00 H new ATOM 1079 N VAL A 73 7.335 -10.745 -14.803 1.00 0.00 N ATOM 1080 CA VAL A 73 7.005 -9.339 -15.002 1.00 0.00 C ATOM 1081 C VAL A 73 7.182 -8.544 -13.713 1.00 0.00 C ATOM 1082 O VAL A 73 7.993 -7.622 -13.647 1.00 0.00 O ATOM 1083 CB VAL A 73 5.558 -9.168 -15.503 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.250 -7.699 -15.753 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.330 -9.990 -16.762 1.00 0.00 C ATOM 0 H VAL A 73 6.539 -11.379 -14.872 1.00 0.00 H new ATOM 0 HA VAL A 73 7.691 -8.957 -15.758 1.00 0.00 H new ATOM 0 HB VAL A 73 4.879 -9.531 -14.731 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.224 -7.597 -16.106 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.372 -7.139 -14.826 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.934 -7.307 -16.506 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.303 -9.857 -17.102 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.016 -9.659 -17.542 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.507 -11.043 -16.546 1.00 0.00 H new ATOM 1095 N ALA A 74 6.417 -8.910 -12.690 1.00 0.00 N ATOM 1096 CA ALA A 74 6.492 -8.234 -11.401 1.00 0.00 C ATOM 1097 C ALA A 74 7.927 -8.183 -10.889 1.00 0.00 C ATOM 1098 O ALA A 74 8.291 -7.296 -10.116 1.00 0.00 O ATOM 1099 CB ALA A 74 5.593 -8.928 -10.388 1.00 0.00 C ATOM 0 H ALA A 74 5.738 -9.671 -12.729 1.00 0.00 H new ATOM 0 HA ALA A 74 6.146 -7.209 -11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.659 -8.413 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.562 -8.906 -10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.913 -9.963 -10.266 1.00 0.00 H new ATOM 1105 N LYS A 75 8.740 -9.139 -11.325 1.00 0.00 N ATOM 1106 CA LYS A 75 10.137 -9.203 -10.913 1.00 0.00 C ATOM 1107 C LYS A 75 10.891 -7.950 -11.347 1.00 0.00 C ATOM 1108 O LYS A 75 11.847 -7.532 -10.695 1.00 0.00 O ATOM 1109 CB LYS A 75 10.808 -10.446 -11.503 1.00 0.00 C ATOM 1110 CG LYS A 75 11.767 -10.137 -12.640 1.00 0.00 C ATOM 1111 CD LYS A 75 12.158 -11.395 -13.397 1.00 0.00 C ATOM 1112 CE LYS A 75 12.773 -12.434 -12.471 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.053 -12.969 -13.011 1.00 0.00 N ATOM 0 H LYS A 75 8.455 -9.881 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 75 10.166 -9.264 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.350 -10.966 -10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.038 -11.128 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.303 -9.428 -13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.662 -9.658 -12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.279 -11.816 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.868 -11.141 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.950 -11.989 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.069 -13.254 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.440 -13.674 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.880 -13.416 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.734 -12.191 -13.125 1.00 0.00 H new ATOM 1127 N VAL A 76 10.454 -7.356 -12.453 1.00 0.00 N ATOM 1128 CA VAL A 76 11.086 -6.149 -12.973 1.00 0.00 C ATOM 1129 C VAL A 76 10.643 -4.917 -12.192 1.00 0.00 C ATOM 1130 O VAL A 76 11.271 -3.860 -12.270 1.00 0.00 O ATOM 1131 CB VAL A 76 10.760 -5.943 -14.464 1.00 0.00 C ATOM 1132 CG1 VAL A 76 11.740 -4.965 -15.094 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.773 -7.273 -15.201 1.00 0.00 C ATOM 0 H VAL A 76 9.665 -7.691 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 76 12.162 -6.280 -12.859 1.00 0.00 H new ATOM 0 HB VAL A 76 9.759 -5.520 -14.544 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.494 -4.832 -16.148 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.676 -4.005 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.753 -5.357 -15.004 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.541 -7.108 -16.253 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.760 -7.727 -15.114 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.028 -7.938 -14.765 1.00 0.00 H new ATOM 1143 N PHE A 77 9.558 -5.059 -11.438 1.00 0.00 N ATOM 1144 CA PHE A 77 9.030 -3.957 -10.642 1.00 0.00 C ATOM 1145 C PHE A 77 8.629 -4.435 -9.250 1.00 0.00 C ATOM 1146 O PHE A 77 7.801 -3.813 -8.585 1.00 0.00 O ATOM 1147 CB PHE A 77 7.827 -3.324 -11.344 1.00 0.00 C ATOM 1148 CG PHE A 77 7.983 -1.850 -11.590 1.00 0.00 C ATOM 1149 CD1 PHE A 77 9.117 -1.355 -12.213 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.995 -0.961 -11.199 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.264 0.000 -12.442 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.136 0.395 -11.426 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.273 0.876 -12.047 1.00 0.00 C ATOM 0 H PHE A 77 9.027 -5.927 -11.361 1.00 0.00 H new ATOM 0 HA PHE A 77 9.815 -3.208 -10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.666 -3.828 -12.297 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.935 -3.491 -10.740 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.896 -2.036 -12.523 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.105 -1.331 -10.712 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.153 0.373 -12.929 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.358 1.078 -11.118 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.386 1.936 -12.223 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.465 -5.455 -18.888 1.00 0.00 MG