USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot -59:sc= -0.0429 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.139 X(o=-0.18,f=-0.49) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.335 (180deg=-1.09) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= 0.129 F(o=-1.8,f=0.13) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00267) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -150:sc= -0.736 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 43 THR OG1 : rot -49:sc= 0.913 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.519 USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= -0.157 (180deg=-0.955) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.117 F(o=-0.98,f=-0.12) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.98 F(o=-2.6!,f=-2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.09 K(o=-2.1,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.063 -1.747 -1.889 1.00 44.22 N ATOM 2 CA GLY A 1 3.020 -1.259 -0.913 1.00 12.03 C ATOM 3 C GLY A 1 4.124 -0.435 -1.544 1.00 63.24 C ATOM 4 O GLY A 1 4.684 -0.819 -2.572 1.00 31.31 O ATOM 0 H1 GLY A 1 1.097 -1.601 -1.531 1.00 44.22 H new ATOM 0 H2 GLY A 1 2.183 -1.228 -2.782 1.00 44.22 H new ATOM 0 H3 GLY A 1 2.222 -2.762 -2.054 1.00 44.22 H new ATOM 0 HA2 GLY A 1 2.500 -0.655 -0.170 1.00 12.03 H new ATOM 0 HA3 GLY A 1 3.459 -2.105 -0.385 1.00 12.03 H new ATOM 8 N ILE A 2 4.438 0.701 -0.931 1.00 31.34 N ATOM 9 CA ILE A 2 5.482 1.581 -1.440 1.00 63.30 C ATOM 10 C ILE A 2 5.101 2.156 -2.800 1.00 2.22 C ATOM 11 O ILE A 2 4.668 1.442 -3.704 1.00 55.53 O ATOM 12 CB ILE A 2 6.828 0.843 -1.566 1.00 62.34 C ATOM 13 CG1 ILE A 2 7.180 0.149 -0.249 1.00 31.21 C ATOM 14 CG2 ILE A 2 7.928 1.813 -1.971 1.00 22.24 C ATOM 15 CD1 ILE A 2 7.490 1.111 0.877 1.00 74.33 C ATOM 0 H ILE A 2 3.984 1.034 -0.080 1.00 31.34 H new ATOM 0 HA ILE A 2 5.588 2.394 -0.721 1.00 63.30 H new ATOM 0 HB ILE A 2 6.737 0.083 -2.342 1.00 62.34 H new ATOM 0 HG12 ILE A 2 6.349 -0.491 0.049 1.00 31.21 H new ATOM 0 HG13 ILE A 2 8.041 -0.500 -0.409 1.00 31.21 H new ATOM 0 HG21 ILE A 2 8.873 1.277 -2.056 1.00 22.24 H new ATOM 0 HG22 ILE A 2 7.679 2.265 -2.931 1.00 22.24 H new ATOM 0 HG23 ILE A 2 8.021 2.594 -1.216 1.00 22.24 H new ATOM 0 HD11 ILE A 2 7.731 0.549 1.780 1.00 74.33 H new ATOM 0 HD12 ILE A 2 8.340 1.734 0.600 1.00 74.33 H new ATOM 0 HD13 ILE A 2 6.622 1.744 1.064 1.00 74.33 H new ATOM 27 N PRO A 3 5.268 3.479 -2.950 1.00 71.42 N ATOM 28 CA PRO A 3 4.950 4.180 -4.198 1.00 34.33 C ATOM 29 C PRO A 3 5.918 3.831 -5.322 1.00 65.32 C ATOM 30 O PRO A 3 6.825 3.016 -5.144 1.00 70.11 O ATOM 31 CB PRO A 3 5.081 5.657 -3.818 1.00 30.31 C ATOM 32 CG PRO A 3 6.027 5.669 -2.667 1.00 50.31 C ATOM 33 CD PRO A 3 5.780 4.391 -1.914 1.00 43.13 C ATOM 0 HA PRO A 3 3.965 3.909 -4.578 1.00 34.33 H new ATOM 0 HB2 PRO A 3 5.463 6.248 -4.651 1.00 30.31 H new ATOM 0 HB3 PRO A 3 4.116 6.082 -3.542 1.00 30.31 H new ATOM 0 HG2 PRO A 3 7.060 5.726 -3.011 1.00 50.31 H new ATOM 0 HG3 PRO A 3 5.855 6.537 -2.030 1.00 50.31 H new ATOM 0 HD2 PRO A 3 6.694 4.010 -1.459 1.00 43.13 H new ATOM 0 HD3 PRO A 3 5.058 4.532 -1.110 1.00 43.13 H new ATOM 41 N LEU A 4 5.722 4.452 -6.480 1.00 21.21 N ATOM 42 CA LEU A 4 6.580 4.207 -7.635 1.00 15.14 C ATOM 43 C LEU A 4 7.679 5.260 -7.729 1.00 52.35 C ATOM 44 O LEU A 4 8.083 5.653 -8.824 1.00 1.12 O ATOM 45 CB LEU A 4 5.749 4.203 -8.919 1.00 63.33 C ATOM 46 CG LEU A 4 4.279 3.810 -8.767 1.00 64.13 C ATOM 47 CD1 LEU A 4 3.564 3.890 -10.107 1.00 1.21 C ATOM 48 CD2 LEU A 4 4.159 2.412 -8.179 1.00 61.53 C ATOM 0 H LEU A 4 4.977 5.129 -6.644 1.00 21.21 H new ATOM 0 HA LEU A 4 7.048 3.231 -7.510 1.00 15.14 H new ATOM 0 HB2 LEU A 4 5.794 5.199 -9.360 1.00 63.33 H new ATOM 0 HB3 LEU A 4 6.216 3.519 -9.628 1.00 63.33 H new ATOM 0 HG LEU A 4 3.804 4.512 -8.082 1.00 64.13 H new ATOM 0 HD11 LEU A 4 2.519 3.607 -9.979 1.00 1.21 H new ATOM 0 HD12 LEU A 4 3.620 4.909 -10.489 1.00 1.21 H new ATOM 0 HD13 LEU A 4 4.040 3.211 -10.815 1.00 1.21 H new ATOM 0 HD21 LEU A 4 3.106 2.149 -8.078 1.00 61.53 H new ATOM 0 HD22 LEU A 4 4.650 1.696 -8.839 1.00 61.53 H new ATOM 0 HD23 LEU A 4 4.635 2.388 -7.199 1.00 61.53 H new ATOM 60 N SER A 5 8.160 5.712 -6.576 1.00 33.04 N ATOM 61 CA SER A 5 9.212 6.721 -6.528 1.00 75.14 C ATOM 62 C SER A 5 10.343 6.283 -5.604 1.00 23.21 C ATOM 63 O SER A 5 11.519 6.492 -5.901 1.00 55.04 O ATOM 64 CB SER A 5 8.642 8.060 -6.057 1.00 11.22 C ATOM 65 OG SER A 5 8.061 8.775 -7.134 1.00 2.03 O ATOM 0 H SER A 5 7.838 5.395 -5.661 1.00 33.04 H new ATOM 0 HA SER A 5 9.614 6.839 -7.534 1.00 75.14 H new ATOM 0 HB2 SER A 5 7.893 7.888 -5.284 1.00 11.22 H new ATOM 0 HB3 SER A 5 9.434 8.657 -5.605 1.00 11.22 H new ATOM 0 HG SER A 5 7.703 9.626 -6.806 1.00 2.03 H new ATOM 71 N ASN A 6 9.979 5.673 -4.480 1.00 51.53 N ATOM 72 CA ASN A 6 10.963 5.206 -3.511 1.00 32.23 C ATOM 73 C ASN A 6 11.815 4.085 -4.098 1.00 31.31 C ATOM 74 O ASN A 6 13.044 4.162 -4.100 1.00 31.32 O ATOM 75 CB ASN A 6 10.265 4.719 -2.239 1.00 71.43 C ATOM 76 CG ASN A 6 11.080 4.994 -0.991 1.00 1.05 C ATOM 77 OD1 ASN A 6 12.341 4.577 -1.003 1.00 41.33 O flip ATOM 78 ND2 ASN A 6 10.582 5.575 -0.026 1.00 73.31 N flip ATOM 0 H ASN A 6 9.010 5.491 -4.218 1.00 51.53 H new ATOM 0 HA ASN A 6 11.616 6.042 -3.262 1.00 32.23 H new ATOM 0 HB2 ASN A 6 9.295 5.207 -2.151 1.00 71.43 H new ATOM 0 HB3 ASN A 6 10.077 3.648 -2.318 1.00 71.43 H new ATOM 0 HD21 ASN A 6 9.609 5.878 -0.060 1.00 73.31 H new ATOM 0 HD22 ASN A 6 11.143 5.753 0.807 1.00 73.31 H new ATOM 85 N ILE A 7 11.154 3.045 -4.595 1.00 52.15 N ATOM 86 CA ILE A 7 11.850 1.910 -5.187 1.00 23.51 C ATOM 87 C ILE A 7 12.861 2.368 -6.233 1.00 14.40 C ATOM 88 O ILE A 7 13.939 1.791 -6.363 1.00 61.52 O ATOM 89 CB ILE A 7 10.865 0.922 -5.840 1.00 12.43 C ATOM 90 CG1 ILE A 7 9.971 0.281 -4.776 1.00 4.22 C ATOM 91 CG2 ILE A 7 11.621 -0.144 -6.617 1.00 72.45 C ATOM 92 CD1 ILE A 7 8.572 -0.020 -5.264 1.00 33.13 C ATOM 0 H ILE A 7 10.137 2.965 -4.599 1.00 52.15 H new ATOM 0 HA ILE A 7 12.374 1.405 -4.376 1.00 23.51 H new ATOM 0 HB ILE A 7 10.232 1.471 -6.537 1.00 12.43 H new ATOM 0 HG12 ILE A 7 10.434 -0.644 -4.433 1.00 4.22 H new ATOM 0 HG13 ILE A 7 9.911 0.946 -3.914 1.00 4.22 H new ATOM 0 HG21 ILE A 7 10.911 -0.834 -7.072 1.00 72.45 H new ATOM 0 HG22 ILE A 7 12.218 0.329 -7.397 1.00 72.45 H new ATOM 0 HG23 ILE A 7 12.276 -0.692 -5.940 1.00 72.45 H new ATOM 0 HD11 ILE A 7 7.995 -0.473 -4.458 1.00 33.13 H new ATOM 0 HD12 ILE A 7 8.090 0.905 -5.580 1.00 33.13 H new ATOM 0 HD13 ILE A 7 8.621 -0.710 -6.107 1.00 33.13 H new ATOM 104 N GLU A 8 12.503 3.412 -6.975 1.00 5.22 N ATOM 105 CA GLU A 8 13.380 3.949 -8.009 1.00 1.10 C ATOM 106 C GLU A 8 14.699 4.429 -7.409 1.00 73.12 C ATOM 107 O GLU A 8 15.774 3.995 -7.822 1.00 53.41 O ATOM 108 CB GLU A 8 12.692 5.101 -8.744 1.00 43.50 C ATOM 109 CG GLU A 8 13.436 5.561 -9.987 1.00 21.12 C ATOM 110 CD GLU A 8 12.689 6.637 -10.749 1.00 54.45 C ATOM 111 OE1 GLU A 8 12.252 7.620 -10.115 1.00 14.00 O ATOM 112 OE2 GLU A 8 12.541 6.497 -11.982 1.00 21.33 O ATOM 0 H GLU A 8 11.613 3.902 -6.879 1.00 5.22 H new ATOM 0 HA GLU A 8 13.594 3.150 -8.719 1.00 1.10 H new ATOM 0 HB2 GLU A 8 11.686 4.791 -9.027 1.00 43.50 H new ATOM 0 HB3 GLU A 8 12.586 5.944 -8.062 1.00 43.50 H new ATOM 0 HG2 GLU A 8 14.417 5.939 -9.699 1.00 21.12 H new ATOM 0 HG3 GLU A 8 13.603 4.707 -10.643 1.00 21.12 H new ATOM 119 N GLU A 9 14.606 5.327 -6.433 1.00 63.13 N ATOM 120 CA GLU A 9 15.792 5.867 -5.778 1.00 32.41 C ATOM 121 C GLU A 9 16.598 4.756 -5.112 1.00 24.43 C ATOM 122 O GLU A 9 17.829 4.773 -5.127 1.00 63.14 O ATOM 123 CB GLU A 9 15.394 6.916 -4.738 1.00 53.43 C ATOM 124 CG GLU A 9 16.569 7.466 -3.947 1.00 72.31 C ATOM 125 CD GLU A 9 16.337 8.886 -3.468 1.00 31.50 C ATOM 126 OE1 GLU A 9 15.999 9.747 -4.306 1.00 3.41 O ATOM 127 OE2 GLU A 9 16.493 9.134 -2.254 1.00 11.20 O ATOM 0 H GLU A 9 13.723 5.695 -6.079 1.00 63.13 H new ATOM 0 HA GLU A 9 16.414 6.338 -6.539 1.00 32.41 H new ATOM 0 HB2 GLU A 9 14.888 7.740 -5.241 1.00 53.43 H new ATOM 0 HB3 GLU A 9 14.676 6.475 -4.046 1.00 53.43 H new ATOM 0 HG2 GLU A 9 16.756 6.823 -3.087 1.00 72.31 H new ATOM 0 HG3 GLU A 9 17.465 7.438 -4.567 1.00 72.31 H new ATOM 134 N ARG A 10 15.895 3.791 -4.527 1.00 5.43 N ATOM 135 CA ARG A 10 16.545 2.673 -3.853 1.00 41.33 C ATOM 136 C ARG A 10 17.308 1.807 -4.851 1.00 71.30 C ATOM 137 O ARG A 10 18.533 1.705 -4.791 1.00 63.04 O ATOM 138 CB ARG A 10 15.510 1.825 -3.112 1.00 52.41 C ATOM 139 CG ARG A 10 15.687 1.830 -1.602 1.00 71.15 C ATOM 140 CD ARG A 10 14.511 1.167 -0.902 1.00 1.53 C ATOM 141 NE ARG A 10 13.742 2.119 -0.105 1.00 0.35 N ATOM 142 CZ ARG A 10 14.094 2.509 1.116 1.00 50.45 C ATOM 143 NH1 ARG A 10 15.197 2.032 1.675 1.00 0.33 N ATOM 144 NH2 ARG A 10 13.342 3.379 1.778 1.00 40.21 N ATOM 0 H ARG A 10 14.876 3.761 -4.506 1.00 5.43 H new ATOM 0 HA ARG A 10 17.255 3.078 -3.132 1.00 41.33 H new ATOM 0 HB2 ARG A 10 14.512 2.191 -3.354 1.00 52.41 H new ATOM 0 HB3 ARG A 10 15.568 0.798 -3.473 1.00 52.41 H new ATOM 0 HG2 ARG A 10 16.608 1.309 -1.341 1.00 71.15 H new ATOM 0 HG3 ARG A 10 15.790 2.856 -1.250 1.00 71.15 H new ATOM 0 HD2 ARG A 10 13.860 0.706 -1.645 1.00 1.53 H new ATOM 0 HD3 ARG A 10 14.876 0.367 -0.258 1.00 1.53 H new ATOM 0 HE ARG A 10 12.888 2.506 -0.507 1.00 0.35 H new ATOM 0 HH11 ARG A 10 15.778 1.364 1.168 1.00 0.33 H new ATOM 0 HH12 ARG A 10 15.465 2.333 2.612 1.00 0.33 H new ATOM 0 HH21 ARG A 10 12.493 3.749 1.350 1.00 40.21 H new ATOM 0 HH22 ARG A 10 13.613 3.678 2.715 1.00 40.21 H new ATOM 158 N VAL A 11 16.574 1.183 -5.767 1.00 42.05 N ATOM 159 CA VAL A 11 17.181 0.326 -6.779 1.00 20.54 C ATOM 160 C VAL A 11 18.342 1.030 -7.472 1.00 32.12 C ATOM 161 O VAL A 11 19.307 0.392 -7.893 1.00 42.52 O ATOM 162 CB VAL A 11 16.151 -0.108 -7.839 1.00 10.34 C ATOM 163 CG1 VAL A 11 16.134 0.875 -9.000 1.00 22.51 C ATOM 164 CG2 VAL A 11 16.450 -1.517 -8.326 1.00 74.42 C ATOM 0 H VAL A 11 15.558 1.255 -5.829 1.00 42.05 H new ATOM 0 HA VAL A 11 17.553 -0.558 -6.262 1.00 20.54 H new ATOM 0 HB VAL A 11 15.162 -0.109 -7.381 1.00 10.34 H new ATOM 0 HG11 VAL A 11 15.401 0.552 -9.739 1.00 22.51 H new ATOM 0 HG12 VAL A 11 15.868 1.866 -8.633 1.00 22.51 H new ATOM 0 HG13 VAL A 11 17.121 0.911 -9.460 1.00 22.51 H new ATOM 0 HG21 VAL A 11 15.713 -1.807 -9.074 1.00 74.42 H new ATOM 0 HG22 VAL A 11 17.446 -1.546 -8.768 1.00 74.42 H new ATOM 0 HG23 VAL A 11 16.406 -2.210 -7.485 1.00 74.42 H new ATOM 174 N LYS A 12 18.242 2.350 -7.587 1.00 30.23 N ATOM 175 CA LYS A 12 19.284 3.144 -8.227 1.00 70.53 C ATOM 176 C LYS A 12 20.550 3.168 -7.376 1.00 54.52 C ATOM 177 O LYS A 12 21.648 2.915 -7.871 1.00 2.11 O ATOM 178 CB LYS A 12 18.790 4.572 -8.468 1.00 63.10 C ATOM 179 CG LYS A 12 18.400 4.846 -9.910 1.00 73.51 C ATOM 180 CD LYS A 12 17.216 3.995 -10.338 1.00 73.22 C ATOM 181 CE LYS A 12 17.166 3.829 -11.849 1.00 62.42 C ATOM 182 NZ LYS A 12 16.964 5.130 -12.544 1.00 51.20 N ATOM 0 H LYS A 12 17.449 2.893 -7.245 1.00 30.23 H new ATOM 0 HA LYS A 12 19.521 2.682 -9.185 1.00 70.53 H new ATOM 0 HB2 LYS A 12 17.931 4.763 -7.825 1.00 63.10 H new ATOM 0 HB3 LYS A 12 19.571 5.272 -8.172 1.00 63.10 H new ATOM 0 HG2 LYS A 12 18.152 5.901 -10.027 1.00 73.51 H new ATOM 0 HG3 LYS A 12 19.249 4.644 -10.562 1.00 73.51 H new ATOM 0 HD2 LYS A 12 17.281 3.015 -9.865 1.00 73.22 H new ATOM 0 HD3 LYS A 12 16.291 4.456 -9.991 1.00 73.22 H new ATOM 0 HE2 LYS A 12 18.093 3.373 -12.195 1.00 62.42 H new ATOM 0 HE3 LYS A 12 16.358 3.147 -12.113 1.00 62.42 H new ATOM 0 HZ1 LYS A 12 16.919 4.972 -13.571 1.00 51.20 H new ATOM 0 HZ2 LYS A 12 16.075 5.562 -12.221 1.00 51.20 H new ATOM 0 HZ3 LYS A 12 17.757 5.767 -12.327 1.00 51.20 H new ATOM 196 N LYS A 13 20.388 3.474 -6.093 1.00 43.02 N ATOM 197 CA LYS A 13 21.517 3.529 -5.172 1.00 11.43 C ATOM 198 C LYS A 13 22.280 2.208 -5.166 1.00 13.54 C ATOM 199 O LYS A 13 23.510 2.192 -5.209 1.00 22.32 O ATOM 200 CB LYS A 13 21.032 3.857 -3.758 1.00 33.23 C ATOM 201 CG LYS A 13 22.109 3.714 -2.697 1.00 31.55 C ATOM 202 CD LYS A 13 21.651 4.268 -1.358 1.00 55.12 C ATOM 203 CE LYS A 13 21.492 5.780 -1.406 1.00 44.11 C ATOM 204 NZ LYS A 13 21.401 6.372 -0.043 1.00 35.34 N ATOM 0 H LYS A 13 19.486 3.688 -5.668 1.00 43.02 H new ATOM 0 HA LYS A 13 22.192 4.316 -5.510 1.00 11.43 H new ATOM 0 HB2 LYS A 13 20.651 4.878 -3.741 1.00 33.23 H new ATOM 0 HB3 LYS A 13 20.198 3.201 -3.508 1.00 33.23 H new ATOM 0 HG2 LYS A 13 22.373 2.662 -2.585 1.00 31.55 H new ATOM 0 HG3 LYS A 13 23.010 4.237 -3.019 1.00 31.55 H new ATOM 0 HD2 LYS A 13 20.702 3.810 -1.079 1.00 55.12 H new ATOM 0 HD3 LYS A 13 22.373 4.001 -0.586 1.00 55.12 H new ATOM 0 HE2 LYS A 13 22.338 6.217 -1.936 1.00 44.11 H new ATOM 0 HE3 LYS A 13 20.596 6.033 -1.972 1.00 44.11 H new ATOM 0 HZ1 LYS A 13 21.293 7.404 -0.119 1.00 35.34 H new ATOM 0 HZ2 LYS A 13 20.579 5.974 0.454 1.00 35.34 H new ATOM 0 HZ3 LYS A 13 22.267 6.153 0.489 1.00 35.34 H new ATOM 218 N ILE A 14 21.542 1.105 -5.113 1.00 71.33 N ATOM 219 CA ILE A 14 22.150 -0.220 -5.105 1.00 34.15 C ATOM 220 C ILE A 14 22.958 -0.462 -6.374 1.00 64.34 C ATOM 221 O ILE A 14 24.161 -0.719 -6.317 1.00 24.05 O ATOM 222 CB ILE A 14 21.087 -1.326 -4.967 1.00 72.25 C ATOM 223 CG1 ILE A 14 20.408 -1.245 -3.599 1.00 3.05 C ATOM 224 CG2 ILE A 14 21.718 -2.695 -5.172 1.00 31.45 C ATOM 225 CD1 ILE A 14 18.929 -0.937 -3.674 1.00 44.55 C ATOM 0 H ILE A 14 20.523 1.102 -5.075 1.00 71.33 H new ATOM 0 HA ILE A 14 22.815 -0.257 -4.242 1.00 34.15 H new ATOM 0 HB ILE A 14 20.329 -1.178 -5.736 1.00 72.25 H new ATOM 0 HG12 ILE A 14 20.547 -2.192 -3.077 1.00 3.05 H new ATOM 0 HG13 ILE A 14 20.901 -0.477 -3.003 1.00 3.05 H new ATOM 0 HG21 ILE A 14 20.954 -3.466 -5.071 1.00 31.45 H new ATOM 0 HG22 ILE A 14 22.158 -2.747 -6.168 1.00 31.45 H new ATOM 0 HG23 ILE A 14 22.495 -2.853 -4.424 1.00 31.45 H new ATOM 0 HD11 ILE A 14 18.515 -0.895 -2.667 1.00 44.55 H new ATOM 0 HD12 ILE A 14 18.782 0.024 -4.167 1.00 44.55 H new ATOM 0 HD13 ILE A 14 18.423 -1.718 -4.242 1.00 44.55 H new ATOM 237 N ILE A 15 22.291 -0.377 -7.520 1.00 35.12 N ATOM 238 CA ILE A 15 22.948 -0.584 -8.804 1.00 60.11 C ATOM 239 C ILE A 15 24.194 0.285 -8.930 1.00 44.41 C ATOM 240 O ILE A 15 25.165 -0.093 -9.587 1.00 14.41 O ATOM 241 CB ILE A 15 22.000 -0.276 -9.978 1.00 40.01 C ATOM 242 CG1 ILE A 15 20.793 -1.215 -9.947 1.00 74.32 C ATOM 243 CG2 ILE A 15 22.739 -0.398 -11.302 1.00 64.21 C ATOM 244 CD1 ILE A 15 19.557 -0.632 -10.596 1.00 33.23 C ATOM 0 H ILE A 15 21.295 -0.166 -7.585 1.00 35.12 H new ATOM 0 HA ILE A 15 23.235 -1.635 -8.846 1.00 60.11 H new ATOM 0 HB ILE A 15 21.642 0.749 -9.877 1.00 40.01 H new ATOM 0 HG12 ILE A 15 21.054 -2.145 -10.451 1.00 74.32 H new ATOM 0 HG13 ILE A 15 20.565 -1.467 -8.911 1.00 74.32 H new ATOM 0 HG21 ILE A 15 22.055 -0.177 -12.122 1.00 64.21 H new ATOM 0 HG22 ILE A 15 23.569 0.308 -11.322 1.00 64.21 H new ATOM 0 HG23 ILE A 15 23.123 -1.412 -11.412 1.00 64.21 H new ATOM 0 HD11 ILE A 15 18.741 -1.352 -10.537 1.00 33.23 H new ATOM 0 HD12 ILE A 15 19.271 0.283 -10.078 1.00 33.23 H new ATOM 0 HD13 ILE A 15 19.767 -0.406 -11.641 1.00 33.23 H new ATOM 256 N VAL A 16 24.162 1.452 -8.294 1.00 52.55 N ATOM 257 CA VAL A 16 25.290 2.375 -8.333 1.00 12.55 C ATOM 258 C VAL A 16 26.362 1.975 -7.325 1.00 14.22 C ATOM 259 O VAL A 16 27.551 2.202 -7.546 1.00 75.13 O ATOM 260 CB VAL A 16 24.843 3.821 -8.043 1.00 34.40 C ATOM 261 CG1 VAL A 16 26.047 4.746 -7.961 1.00 11.13 C ATOM 262 CG2 VAL A 16 23.864 4.298 -9.106 1.00 4.14 C ATOM 0 H VAL A 16 23.367 1.780 -7.746 1.00 52.55 H new ATOM 0 HA VAL A 16 25.705 2.326 -9.340 1.00 12.55 H new ATOM 0 HB VAL A 16 24.335 3.840 -7.079 1.00 34.40 H new ATOM 0 HG11 VAL A 16 25.712 5.763 -7.756 1.00 11.13 H new ATOM 0 HG12 VAL A 16 26.708 4.413 -7.160 1.00 11.13 H new ATOM 0 HG13 VAL A 16 26.586 4.726 -8.908 1.00 11.13 H new ATOM 0 HG21 VAL A 16 23.558 5.321 -8.886 1.00 4.14 H new ATOM 0 HG22 VAL A 16 24.344 4.265 -10.084 1.00 4.14 H new ATOM 0 HG23 VAL A 16 22.987 3.650 -9.110 1.00 4.14 H new ATOM 272 N GLU A 17 25.932 1.378 -6.217 1.00 53.45 N ATOM 273 CA GLU A 17 26.856 0.947 -5.175 1.00 74.32 C ATOM 274 C GLU A 17 27.478 -0.402 -5.525 1.00 3.14 C ATOM 275 O GLU A 17 28.489 -0.798 -4.946 1.00 25.13 O ATOM 276 CB GLU A 17 26.134 0.854 -3.829 1.00 52.22 C ATOM 277 CG GLU A 17 26.071 2.175 -3.080 1.00 64.40 C ATOM 278 CD GLU A 17 25.552 2.018 -1.664 1.00 71.10 C ATOM 279 OE1 GLU A 17 24.701 1.132 -1.438 1.00 43.21 O ATOM 280 OE2 GLU A 17 25.997 2.782 -0.782 1.00 31.33 O ATOM 0 H GLU A 17 24.951 1.182 -6.019 1.00 53.45 H new ATOM 0 HA GLU A 17 27.652 1.688 -5.101 1.00 74.32 H new ATOM 0 HB2 GLU A 17 25.120 0.491 -3.995 1.00 52.22 H new ATOM 0 HB3 GLU A 17 26.639 0.116 -3.206 1.00 52.22 H new ATOM 0 HG2 GLU A 17 27.066 2.620 -3.051 1.00 64.40 H new ATOM 0 HG3 GLU A 17 25.428 2.867 -3.624 1.00 64.40 H new ATOM 287 N GLN A 18 26.866 -1.101 -6.475 1.00 21.45 N ATOM 288 CA GLN A 18 27.359 -2.406 -6.900 1.00 44.10 C ATOM 289 C GLN A 18 28.234 -2.278 -8.143 1.00 73.22 C ATOM 290 O GLN A 18 29.256 -2.954 -8.268 1.00 51.03 O ATOM 291 CB GLN A 18 26.189 -3.351 -7.180 1.00 4.23 C ATOM 292 CG GLN A 18 25.374 -3.692 -5.943 1.00 22.31 C ATOM 293 CD GLN A 18 26.241 -3.973 -4.732 1.00 24.43 C ATOM 294 OE1 GLN A 18 26.800 -3.057 -4.127 1.00 74.33 O ATOM 295 NE2 GLN A 18 26.359 -5.246 -4.370 1.00 10.31 N ATOM 0 H GLN A 18 26.029 -0.786 -6.965 1.00 21.45 H new ATOM 0 HA GLN A 18 27.964 -2.819 -6.093 1.00 44.10 H new ATOM 0 HB2 GLN A 18 25.534 -2.895 -7.922 1.00 4.23 H new ATOM 0 HB3 GLN A 18 26.573 -4.272 -7.617 1.00 4.23 H new ATOM 0 HG2 GLN A 18 24.699 -2.866 -5.718 1.00 22.31 H new ATOM 0 HG3 GLN A 18 24.753 -4.563 -6.151 1.00 22.31 H new ATOM 0 HE21 GLN A 18 25.879 -5.973 -4.900 1.00 10.31 H new ATOM 0 HE22 GLN A 18 26.930 -5.496 -3.563 1.00 10.31 H new ATOM 304 N LEU A 19 27.826 -1.408 -9.060 1.00 74.34 N ATOM 305 CA LEU A 19 28.572 -1.192 -10.295 1.00 53.21 C ATOM 306 C LEU A 19 29.601 -0.080 -10.121 1.00 44.14 C ATOM 307 O LEU A 19 30.633 -0.065 -10.791 1.00 61.13 O ATOM 308 CB LEU A 19 27.616 -0.843 -11.437 1.00 72.44 C ATOM 309 CG LEU A 19 26.524 -1.871 -11.736 1.00 32.21 C ATOM 310 CD1 LEU A 19 25.695 -1.436 -12.934 1.00 74.33 C ATOM 311 CD2 LEU A 19 27.135 -3.244 -11.978 1.00 11.33 C ATOM 0 H LEU A 19 26.983 -0.841 -8.972 1.00 74.34 H new ATOM 0 HA LEU A 19 29.098 -2.115 -10.539 1.00 53.21 H new ATOM 0 HB2 LEU A 19 27.138 0.109 -11.206 1.00 72.44 H new ATOM 0 HB3 LEU A 19 28.203 -0.693 -12.343 1.00 72.44 H new ATOM 0 HG LEU A 19 25.866 -1.936 -10.869 1.00 32.21 H new ATOM 0 HD11 LEU A 19 24.923 -2.180 -13.132 1.00 74.33 H new ATOM 0 HD12 LEU A 19 25.227 -0.475 -12.723 1.00 74.33 H new ATOM 0 HD13 LEU A 19 26.340 -1.341 -13.808 1.00 74.33 H new ATOM 0 HD21 LEU A 19 26.343 -3.963 -12.189 1.00 11.33 H new ATOM 0 HD22 LEU A 19 27.816 -3.195 -12.828 1.00 11.33 H new ATOM 0 HD23 LEU A 19 27.684 -3.559 -11.091 1.00 11.33 H new ATOM 323 N GLY A 20 29.314 0.850 -9.215 1.00 21.40 N ATOM 324 CA GLY A 20 30.226 1.951 -8.968 1.00 14.43 C ATOM 325 C GLY A 20 30.201 2.984 -10.077 1.00 44.00 C ATOM 326 O GLY A 20 31.131 3.778 -10.216 1.00 45.52 O ATOM 0 H GLY A 20 28.466 0.860 -8.648 1.00 21.40 H new ATOM 0 HA2 GLY A 20 29.966 2.430 -8.024 1.00 14.43 H new ATOM 0 HA3 GLY A 20 31.239 1.563 -8.860 1.00 14.43 H new ATOM 330 N VAL A 21 29.135 2.973 -10.871 1.00 21.13 N ATOM 331 CA VAL A 21 28.993 3.915 -11.974 1.00 45.22 C ATOM 332 C VAL A 21 28.033 5.043 -11.614 1.00 73.22 C ATOM 333 O VAL A 21 27.503 5.090 -10.504 1.00 32.11 O ATOM 334 CB VAL A 21 28.490 3.214 -13.250 1.00 11.21 C ATOM 335 CG1 VAL A 21 29.417 2.070 -13.632 1.00 13.11 C ATOM 336 CG2 VAL A 21 27.066 2.716 -13.057 1.00 32.35 C ATOM 0 H VAL A 21 28.357 2.321 -10.770 1.00 21.13 H new ATOM 0 HA VAL A 21 29.982 4.331 -12.164 1.00 45.22 H new ATOM 0 HB VAL A 21 28.490 3.937 -14.066 1.00 11.21 H new ATOM 0 HG11 VAL A 21 29.045 1.587 -14.536 1.00 13.11 H new ATOM 0 HG12 VAL A 21 30.419 2.459 -13.814 1.00 13.11 H new ATOM 0 HG13 VAL A 21 29.452 1.343 -12.820 1.00 13.11 H new ATOM 0 HG21 VAL A 21 26.726 2.223 -13.968 1.00 32.35 H new ATOM 0 HG22 VAL A 21 27.037 2.008 -12.229 1.00 32.35 H new ATOM 0 HG23 VAL A 21 26.412 3.560 -12.835 1.00 32.35 H new ATOM 346 N ASP A 22 27.812 5.949 -12.560 1.00 40.10 N ATOM 347 CA ASP A 22 26.913 7.077 -12.344 1.00 21.24 C ATOM 348 C ASP A 22 25.457 6.650 -12.504 1.00 64.13 C ATOM 349 O ASP A 22 25.099 5.987 -13.477 1.00 64.20 O ATOM 350 CB ASP A 22 27.236 8.209 -13.320 1.00 63.20 C ATOM 351 CG ASP A 22 26.843 9.569 -12.780 1.00 14.53 C ATOM 352 OD1 ASP A 22 26.828 9.735 -11.542 1.00 1.22 O ATOM 353 OD2 ASP A 22 26.550 10.469 -13.595 1.00 31.13 O ATOM 0 H ASP A 22 28.243 5.924 -13.484 1.00 40.10 H new ATOM 0 HA ASP A 22 27.058 7.435 -11.325 1.00 21.24 H new ATOM 0 HB2 ASP A 22 28.304 8.203 -13.538 1.00 63.20 H new ATOM 0 HB3 ASP A 22 26.717 8.032 -14.262 1.00 63.20 H new ATOM 358 N GLU A 23 24.624 7.034 -11.543 1.00 14.12 N ATOM 359 CA GLU A 23 23.207 6.689 -11.578 1.00 23.13 C ATOM 360 C GLU A 23 22.572 7.129 -12.894 1.00 3.14 C ATOM 361 O GLU A 23 21.602 6.531 -13.357 1.00 52.22 O ATOM 362 CB GLU A 23 22.473 7.337 -10.402 1.00 75.23 C ATOM 363 CG GLU A 23 22.551 8.854 -10.397 1.00 4.10 C ATOM 364 CD GLU A 23 21.862 9.470 -9.195 1.00 54.02 C ATOM 365 OE1 GLU A 23 22.347 9.266 -8.063 1.00 34.21 O ATOM 366 OE2 GLU A 23 20.836 10.157 -9.388 1.00 24.31 O ATOM 0 H GLU A 23 24.905 7.584 -10.731 1.00 14.12 H new ATOM 0 HA GLU A 23 23.121 5.605 -11.498 1.00 23.13 H new ATOM 0 HB2 GLU A 23 21.426 7.036 -10.428 1.00 75.23 H new ATOM 0 HB3 GLU A 23 22.891 6.957 -9.470 1.00 75.23 H new ATOM 0 HG2 GLU A 23 23.597 9.160 -10.408 1.00 4.10 H new ATOM 0 HG3 GLU A 23 22.096 9.240 -11.309 1.00 4.10 H new ATOM 373 N ALA A 24 23.127 8.179 -13.490 1.00 5.35 N ATOM 374 CA ALA A 24 22.617 8.699 -14.752 1.00 43.30 C ATOM 375 C ALA A 24 22.839 7.704 -15.886 1.00 20.45 C ATOM 376 O ALA A 24 21.948 7.469 -16.701 1.00 15.43 O ATOM 377 CB ALA A 24 23.277 10.031 -15.080 1.00 22.53 C ATOM 0 H ALA A 24 23.930 8.686 -13.119 1.00 5.35 H new ATOM 0 HA ALA A 24 21.543 8.854 -14.645 1.00 43.30 H new ATOM 0 HB1 ALA A 24 22.886 10.408 -16.025 1.00 22.53 H new ATOM 0 HB2 ALA A 24 23.063 10.748 -14.288 1.00 22.53 H new ATOM 0 HB3 ALA A 24 24.355 9.892 -15.162 1.00 22.53 H new ATOM 383 N GLU A 25 24.033 7.121 -15.931 1.00 4.53 N ATOM 384 CA GLU A 25 24.371 6.152 -16.966 1.00 43.12 C ATOM 385 C GLU A 25 23.440 4.945 -16.906 1.00 20.30 C ATOM 386 O GLU A 25 23.163 4.309 -17.923 1.00 62.40 O ATOM 387 CB GLU A 25 25.824 5.697 -16.816 1.00 4.25 C ATOM 388 CG GLU A 25 26.838 6.794 -17.097 1.00 72.22 C ATOM 389 CD GLU A 25 27.012 7.060 -18.580 1.00 2.22 C ATOM 390 OE1 GLU A 25 27.531 6.171 -19.286 1.00 75.41 O ATOM 391 OE2 GLU A 25 26.630 8.159 -19.033 1.00 55.24 O ATOM 0 H GLU A 25 24.782 7.303 -15.263 1.00 4.53 H new ATOM 0 HA GLU A 25 24.248 6.636 -17.935 1.00 43.12 H new ATOM 0 HB2 GLU A 25 25.976 5.324 -15.803 1.00 4.25 H new ATOM 0 HB3 GLU A 25 26.006 4.863 -17.494 1.00 4.25 H new ATOM 0 HG2 GLU A 25 26.522 7.712 -16.601 1.00 72.22 H new ATOM 0 HG3 GLU A 25 27.799 6.514 -16.666 1.00 72.22 H new ATOM 398 N VAL A 26 22.960 4.634 -15.706 1.00 0.31 N ATOM 399 CA VAL A 26 22.060 3.504 -15.512 1.00 14.15 C ATOM 400 C VAL A 26 20.793 3.661 -16.345 1.00 12.11 C ATOM 401 O VAL A 26 19.880 4.400 -15.975 1.00 44.41 O ATOM 402 CB VAL A 26 21.670 3.345 -14.030 1.00 11.31 C ATOM 403 CG1 VAL A 26 20.705 2.183 -13.853 1.00 54.11 C ATOM 404 CG2 VAL A 26 22.911 3.154 -13.171 1.00 15.14 C ATOM 0 H VAL A 26 23.180 5.149 -14.854 1.00 0.31 H new ATOM 0 HA VAL A 26 22.597 2.613 -15.837 1.00 14.15 H new ATOM 0 HB VAL A 26 21.167 4.256 -13.705 1.00 11.31 H new ATOM 0 HG11 VAL A 26 20.441 2.086 -12.800 1.00 54.11 H new ATOM 0 HG12 VAL A 26 19.804 2.366 -14.438 1.00 54.11 H new ATOM 0 HG13 VAL A 26 21.178 1.262 -14.194 1.00 54.11 H new ATOM 0 HG21 VAL A 26 22.617 3.043 -12.127 1.00 15.14 H new ATOM 0 HG22 VAL A 26 23.444 2.260 -13.495 1.00 15.14 H new ATOM 0 HG23 VAL A 26 23.562 4.022 -13.275 1.00 15.14 H new ATOM 414 N LYS A 27 20.742 2.960 -17.473 1.00 4.15 N ATOM 415 CA LYS A 27 19.587 3.019 -18.360 1.00 33.14 C ATOM 416 C LYS A 27 18.562 1.951 -17.990 1.00 10.33 C ATOM 417 O LYS A 27 18.895 0.773 -17.872 1.00 73.25 O ATOM 418 CB LYS A 27 20.025 2.838 -19.815 1.00 20.14 C ATOM 419 CG LYS A 27 20.746 4.046 -20.387 1.00 64.43 C ATOM 420 CD LYS A 27 19.774 5.153 -20.756 1.00 14.22 C ATOM 421 CE LYS A 27 20.384 6.121 -21.758 1.00 61.42 C ATOM 422 NZ LYS A 27 19.346 6.946 -22.436 1.00 20.23 N ATOM 0 H LYS A 27 21.489 2.344 -17.794 1.00 4.15 H new ATOM 0 HA LYS A 27 19.123 3.999 -18.246 1.00 33.14 H new ATOM 0 HB2 LYS A 27 20.679 1.969 -19.883 1.00 20.14 H new ATOM 0 HB3 LYS A 27 19.148 2.626 -20.426 1.00 20.14 H new ATOM 0 HG2 LYS A 27 21.465 4.420 -19.658 1.00 64.43 H new ATOM 0 HG3 LYS A 27 21.312 3.749 -21.270 1.00 64.43 H new ATOM 0 HD2 LYS A 27 18.867 4.717 -21.176 1.00 14.22 H new ATOM 0 HD3 LYS A 27 19.481 5.695 -19.857 1.00 14.22 H new ATOM 0 HE2 LYS A 27 21.091 6.775 -21.247 1.00 61.42 H new ATOM 0 HE3 LYS A 27 20.949 5.563 -22.505 1.00 61.42 H new ATOM 0 HZ1 LYS A 27 19.802 7.592 -23.111 1.00 20.23 H new ATOM 0 HZ2 LYS A 27 18.686 6.324 -22.945 1.00 20.23 H new ATOM 0 HZ3 LYS A 27 18.824 7.499 -21.726 1.00 20.23 H new ATOM 436 N ASN A 28 17.314 2.372 -17.809 1.00 4.43 N ATOM 437 CA ASN A 28 16.241 1.451 -17.453 1.00 51.41 C ATOM 438 C ASN A 28 16.151 0.307 -18.458 1.00 55.22 C ATOM 439 O ASN A 28 15.981 -0.851 -18.080 1.00 71.42 O ATOM 440 CB ASN A 28 14.905 2.194 -17.387 1.00 72.11 C ATOM 441 CG ASN A 28 14.728 2.951 -16.085 1.00 35.42 C ATOM 442 OD1 ASN A 28 15.247 4.054 -15.920 1.00 3.24 O ATOM 443 ND2 ASN A 28 13.991 2.358 -15.152 1.00 54.33 N ATOM 0 H ASN A 28 17.021 3.345 -17.903 1.00 4.43 H new ATOM 0 HA ASN A 28 16.465 1.032 -16.472 1.00 51.41 H new ATOM 0 HB2 ASN A 28 14.839 2.892 -18.222 1.00 72.11 H new ATOM 0 HB3 ASN A 28 14.089 1.480 -17.503 1.00 72.11 H new ATOM 0 HD21 ASN A 28 13.837 2.819 -14.255 1.00 54.33 H new ATOM 0 HD22 ASN A 28 13.580 1.442 -15.333 1.00 54.33 H new ATOM 450 N GLU A 29 16.266 0.642 -19.740 1.00 33.14 N ATOM 451 CA GLU A 29 16.197 -0.358 -20.799 1.00 33.03 C ATOM 452 C GLU A 29 17.587 -0.887 -21.139 1.00 41.11 C ATOM 453 O GLU A 29 18.043 -0.777 -22.277 1.00 30.42 O ATOM 454 CB GLU A 29 15.545 0.236 -22.049 1.00 73.53 C ATOM 455 CG GLU A 29 14.257 0.990 -21.764 1.00 71.04 C ATOM 456 CD GLU A 29 13.346 1.066 -22.974 1.00 52.52 C ATOM 457 OE1 GLU A 29 13.862 1.275 -24.092 1.00 53.33 O ATOM 458 OE2 GLU A 29 12.118 0.918 -22.803 1.00 71.02 O ATOM 0 H GLU A 29 16.407 1.597 -20.070 1.00 33.14 H new ATOM 0 HA GLU A 29 15.589 -1.189 -20.441 1.00 33.03 H new ATOM 0 HB2 GLU A 29 16.252 0.911 -22.531 1.00 73.53 H new ATOM 0 HB3 GLU A 29 15.337 -0.567 -22.756 1.00 73.53 H new ATOM 0 HG2 GLU A 29 13.728 0.502 -20.946 1.00 71.04 H new ATOM 0 HG3 GLU A 29 14.497 2.000 -21.431 1.00 71.04 H new ATOM 465 N ALA A 30 18.256 -1.460 -20.144 1.00 34.23 N ATOM 466 CA ALA A 30 19.593 -2.007 -20.337 1.00 33.40 C ATOM 467 C ALA A 30 19.880 -3.120 -19.335 1.00 64.41 C ATOM 468 O ALA A 30 19.495 -3.034 -18.169 1.00 73.23 O ATOM 469 CB ALA A 30 20.636 -0.906 -20.219 1.00 52.02 C ATOM 0 H ALA A 30 17.894 -1.557 -19.196 1.00 34.23 H new ATOM 0 HA ALA A 30 19.643 -2.434 -21.339 1.00 33.40 H new ATOM 0 HB1 ALA A 30 21.630 -1.329 -20.365 1.00 52.02 H new ATOM 0 HB2 ALA A 30 20.450 -0.146 -20.978 1.00 52.02 H new ATOM 0 HB3 ALA A 30 20.577 -0.453 -19.229 1.00 52.02 H new ATOM 475 N SER A 31 20.560 -4.165 -19.797 1.00 72.22 N ATOM 476 CA SER A 31 20.895 -5.298 -18.942 1.00 42.22 C ATOM 477 C SER A 31 22.168 -5.021 -18.148 1.00 12.43 C ATOM 478 O SER A 31 22.948 -4.132 -18.493 1.00 33.54 O ATOM 479 CB SER A 31 21.071 -6.564 -19.783 1.00 34.14 C ATOM 480 OG SER A 31 20.232 -6.538 -20.925 1.00 24.31 O ATOM 0 H SER A 31 20.890 -4.250 -20.758 1.00 72.22 H new ATOM 0 HA SER A 31 20.074 -5.447 -18.240 1.00 42.22 H new ATOM 0 HB2 SER A 31 22.112 -6.656 -20.094 1.00 34.14 H new ATOM 0 HB3 SER A 31 20.841 -7.441 -19.178 1.00 34.14 H new ATOM 0 HG SER A 31 19.986 -7.454 -21.171 1.00 24.31 H new ATOM 486 N PHE A 32 22.371 -5.787 -17.082 1.00 21.44 N ATOM 487 CA PHE A 32 23.548 -5.625 -16.236 1.00 41.02 C ATOM 488 C PHE A 32 24.810 -6.073 -16.968 1.00 74.43 C ATOM 489 O PHE A 32 25.917 -5.649 -16.638 1.00 11.21 O ATOM 490 CB PHE A 32 23.386 -6.423 -14.941 1.00 11.22 C ATOM 491 CG PHE A 32 22.095 -6.146 -14.224 1.00 5.33 C ATOM 492 CD1 PHE A 32 21.577 -4.862 -14.174 1.00 50.34 C ATOM 493 CD2 PHE A 32 21.401 -7.169 -13.600 1.00 32.25 C ATOM 494 CE1 PHE A 32 20.390 -4.604 -13.515 1.00 23.04 C ATOM 495 CE2 PHE A 32 20.213 -6.918 -12.938 1.00 42.45 C ATOM 496 CZ PHE A 32 19.707 -5.633 -12.897 1.00 31.31 C ATOM 0 H PHE A 32 21.736 -6.527 -16.783 1.00 21.44 H new ATOM 0 HA PHE A 32 23.646 -4.567 -15.993 1.00 41.02 H new ATOM 0 HB2 PHE A 32 23.444 -7.487 -15.170 1.00 11.22 H new ATOM 0 HB3 PHE A 32 24.218 -6.194 -14.276 1.00 11.22 H new ATOM 0 HD1 PHE A 32 22.107 -4.053 -14.656 1.00 50.34 H new ATOM 0 HD2 PHE A 32 21.792 -8.175 -13.631 1.00 32.25 H new ATOM 0 HE1 PHE A 32 19.997 -3.599 -13.483 1.00 23.04 H new ATOM 0 HE2 PHE A 32 19.682 -7.725 -12.454 1.00 42.45 H new ATOM 0 HZ PHE A 32 18.779 -5.434 -12.382 1.00 31.31 H new ATOM 506 N VAL A 33 24.634 -6.935 -17.965 1.00 34.42 N ATOM 507 CA VAL A 33 25.756 -7.442 -18.745 1.00 4.12 C ATOM 508 C VAL A 33 25.515 -7.258 -20.239 1.00 31.31 C ATOM 509 O VAL A 33 26.380 -6.765 -20.962 1.00 44.20 O ATOM 510 CB VAL A 33 26.013 -8.933 -18.457 1.00 35.21 C ATOM 511 CG1 VAL A 33 27.235 -9.422 -19.218 1.00 45.20 C ATOM 512 CG2 VAL A 33 26.176 -9.166 -16.963 1.00 21.35 C ATOM 0 H VAL A 33 23.724 -7.297 -18.251 1.00 34.42 H new ATOM 0 HA VAL A 33 26.633 -6.867 -18.448 1.00 4.12 H new ATOM 0 HB VAL A 33 25.150 -9.505 -18.799 1.00 35.21 H new ATOM 0 HG11 VAL A 33 27.400 -10.477 -19.001 1.00 45.20 H new ATOM 0 HG12 VAL A 33 27.073 -9.292 -20.288 1.00 45.20 H new ATOM 0 HG13 VAL A 33 28.109 -8.848 -18.911 1.00 45.20 H new ATOM 0 HG21 VAL A 33 26.357 -10.225 -16.777 1.00 21.35 H new ATOM 0 HG22 VAL A 33 27.020 -8.584 -16.594 1.00 21.35 H new ATOM 0 HG23 VAL A 33 25.268 -8.857 -16.445 1.00 21.35 H new ATOM 522 N ASP A 34 24.333 -7.658 -20.695 1.00 30.11 N ATOM 523 CA ASP A 34 23.976 -7.536 -22.104 1.00 31.44 C ATOM 524 C ASP A 34 24.204 -6.112 -22.601 1.00 30.31 C ATOM 525 O ASP A 34 24.506 -5.895 -23.774 1.00 52.15 O ATOM 526 CB ASP A 34 22.516 -7.937 -22.318 1.00 55.00 C ATOM 527 CG ASP A 34 22.324 -8.785 -23.560 1.00 22.21 C ATOM 528 OD1 ASP A 34 23.224 -8.781 -24.426 1.00 52.44 O ATOM 529 OD2 ASP A 34 21.275 -9.454 -23.665 1.00 63.30 O ATOM 0 H ASP A 34 23.606 -8.069 -20.110 1.00 30.11 H new ATOM 0 HA ASP A 34 24.617 -8.208 -22.676 1.00 31.44 H new ATOM 0 HB2 ASP A 34 22.162 -8.489 -21.447 1.00 55.00 H new ATOM 0 HB3 ASP A 34 21.903 -7.039 -22.397 1.00 55.00 H new ATOM 534 N ASP A 35 24.057 -5.146 -21.701 1.00 33.30 N ATOM 535 CA ASP A 35 24.246 -3.743 -22.048 1.00 5.30 C ATOM 536 C ASP A 35 25.484 -3.175 -21.359 1.00 73.12 C ATOM 537 O ASP A 35 26.501 -2.915 -22.003 1.00 24.34 O ATOM 538 CB ASP A 35 23.012 -2.928 -21.659 1.00 40.32 C ATOM 539 CG ASP A 35 21.883 -3.073 -22.661 1.00 4.10 C ATOM 540 OD1 ASP A 35 21.235 -4.140 -22.673 1.00 14.44 O ATOM 541 OD2 ASP A 35 21.649 -2.120 -23.434 1.00 24.00 O ATOM 0 H ASP A 35 23.807 -5.309 -20.726 1.00 33.30 H new ATOM 0 HA ASP A 35 24.390 -3.677 -23.127 1.00 5.30 H new ATOM 0 HB2 ASP A 35 22.665 -3.247 -20.676 1.00 40.32 H new ATOM 0 HB3 ASP A 35 23.286 -1.876 -21.575 1.00 40.32 H new ATOM 546 N LEU A 36 25.389 -2.984 -20.048 1.00 60.00 N ATOM 547 CA LEU A 36 26.500 -2.446 -19.271 1.00 43.11 C ATOM 548 C LEU A 36 27.782 -3.228 -19.540 1.00 71.10 C ATOM 549 O LEU A 36 28.837 -2.645 -19.786 1.00 70.21 O ATOM 550 CB LEU A 36 26.170 -2.484 -17.778 1.00 0.20 C ATOM 551 CG LEU A 36 24.863 -1.808 -17.362 1.00 73.24 C ATOM 552 CD1 LEU A 36 24.529 -2.136 -15.915 1.00 42.32 C ATOM 553 CD2 LEU A 36 24.953 -0.302 -17.563 1.00 62.51 C ATOM 0 H LEU A 36 24.554 -3.194 -19.501 1.00 60.00 H new ATOM 0 HA LEU A 36 26.657 -1.411 -19.576 1.00 43.11 H new ATOM 0 HB2 LEU A 36 26.134 -3.526 -17.461 1.00 0.20 H new ATOM 0 HB3 LEU A 36 26.989 -2.013 -17.233 1.00 0.20 H new ATOM 0 HG LEU A 36 24.062 -2.191 -17.994 1.00 73.24 H new ATOM 0 HD11 LEU A 36 23.596 -1.646 -15.637 1.00 42.32 H new ATOM 0 HD12 LEU A 36 24.420 -3.215 -15.802 1.00 42.32 H new ATOM 0 HD13 LEU A 36 25.331 -1.783 -15.267 1.00 42.32 H new ATOM 0 HD21 LEU A 36 24.014 0.162 -17.262 1.00 62.51 H new ATOM 0 HD22 LEU A 36 25.766 0.098 -16.957 1.00 62.51 H new ATOM 0 HD23 LEU A 36 25.144 -0.086 -18.614 1.00 62.51 H new ATOM 565 N GLY A 37 27.681 -4.553 -19.493 1.00 65.22 N ATOM 566 CA GLY A 37 28.839 -5.394 -19.736 1.00 3.12 C ATOM 567 C GLY A 37 29.489 -5.871 -18.452 1.00 11.51 C ATOM 568 O GLY A 37 30.656 -6.260 -18.446 1.00 44.45 O ATOM 0 H GLY A 37 26.819 -5.059 -19.291 1.00 65.22 H new ATOM 0 HA2 GLY A 37 28.539 -6.257 -20.330 1.00 3.12 H new ATOM 0 HA3 GLY A 37 29.569 -4.840 -20.325 1.00 3.12 H new ATOM 572 N ALA A 38 28.732 -5.839 -17.360 1.00 53.22 N ATOM 573 CA ALA A 38 29.241 -6.271 -16.065 1.00 32.34 C ATOM 574 C ALA A 38 29.494 -7.775 -16.048 1.00 51.14 C ATOM 575 O ALA A 38 29.460 -8.431 -17.090 1.00 3.04 O ATOM 576 CB ALA A 38 28.268 -5.886 -14.960 1.00 50.10 C ATOM 0 H ALA A 38 27.764 -5.518 -17.347 1.00 53.22 H new ATOM 0 HA ALA A 38 30.191 -5.767 -15.890 1.00 32.34 H new ATOM 0 HB1 ALA A 38 28.661 -6.215 -13.998 1.00 50.10 H new ATOM 0 HB2 ALA A 38 28.140 -4.804 -14.949 1.00 50.10 H new ATOM 0 HB3 ALA A 38 27.305 -6.363 -15.141 1.00 50.10 H new ATOM 582 N ASP A 39 29.748 -8.314 -14.861 1.00 71.53 N ATOM 583 CA ASP A 39 30.007 -9.742 -14.710 1.00 13.43 C ATOM 584 C ASP A 39 28.871 -10.422 -13.953 1.00 34.42 C ATOM 585 O ASP A 39 27.994 -9.758 -13.399 1.00 64.14 O ATOM 586 CB ASP A 39 31.331 -9.967 -13.978 1.00 14.32 C ATOM 587 CG ASP A 39 32.482 -9.218 -14.620 1.00 71.12 C ATOM 588 OD1 ASP A 39 32.595 -9.256 -15.864 1.00 34.34 O ATOM 589 OD2 ASP A 39 33.270 -8.593 -13.880 1.00 34.42 O ATOM 0 H ASP A 39 29.780 -7.785 -13.990 1.00 71.53 H new ATOM 0 HA ASP A 39 30.072 -10.182 -15.705 1.00 13.43 H new ATOM 0 HB2 ASP A 39 31.228 -9.649 -12.941 1.00 14.32 H new ATOM 0 HB3 ASP A 39 31.558 -11.033 -13.963 1.00 14.32 H new ATOM 594 N SER A 40 28.892 -11.751 -13.934 1.00 33.32 N ATOM 595 CA SER A 40 27.861 -12.523 -13.249 1.00 52.52 C ATOM 596 C SER A 40 27.707 -12.060 -11.803 1.00 74.14 C ATOM 597 O SER A 40 26.591 -11.914 -11.301 1.00 63.05 O ATOM 598 CB SER A 40 28.201 -14.014 -13.286 1.00 54.31 C ATOM 599 OG SER A 40 29.603 -14.217 -13.304 1.00 51.13 O ATOM 0 H SER A 40 29.612 -12.316 -14.385 1.00 33.32 H new ATOM 0 HA SER A 40 26.916 -12.361 -13.767 1.00 52.52 H new ATOM 0 HB2 SER A 40 27.770 -14.510 -12.417 1.00 54.31 H new ATOM 0 HB3 SER A 40 27.753 -14.471 -14.169 1.00 54.31 H new ATOM 0 HG SER A 40 29.794 -15.178 -13.326 1.00 51.13 H new ATOM 605 N LEU A 41 28.834 -11.831 -11.139 1.00 31.31 N ATOM 606 CA LEU A 41 28.826 -11.385 -9.750 1.00 62.10 C ATOM 607 C LEU A 41 27.956 -10.144 -9.582 1.00 34.04 C ATOM 608 O LEU A 41 27.305 -9.965 -8.552 1.00 74.31 O ATOM 609 CB LEU A 41 30.252 -11.090 -9.281 1.00 12.42 C ATOM 610 CG LEU A 41 30.526 -11.302 -7.792 1.00 20.43 C ATOM 611 CD1 LEU A 41 30.419 -12.777 -7.435 1.00 11.35 C ATOM 612 CD2 LEU A 41 31.898 -10.760 -7.419 1.00 41.21 C ATOM 0 H LEU A 41 29.765 -11.947 -11.540 1.00 31.31 H new ATOM 0 HA LEU A 41 28.407 -12.185 -9.139 1.00 62.10 H new ATOM 0 HB2 LEU A 41 30.937 -11.719 -9.849 1.00 12.42 H new ATOM 0 HB3 LEU A 41 30.488 -10.055 -9.530 1.00 12.42 H new ATOM 0 HG LEU A 41 29.775 -10.755 -7.223 1.00 20.43 H new ATOM 0 HD11 LEU A 41 30.617 -12.909 -6.371 1.00 11.35 H new ATOM 0 HD12 LEU A 41 29.415 -13.135 -7.664 1.00 11.35 H new ATOM 0 HD13 LEU A 41 31.148 -13.345 -8.013 1.00 11.35 H new ATOM 0 HD21 LEU A 41 32.075 -10.920 -6.355 1.00 41.21 H new ATOM 0 HD22 LEU A 41 32.663 -11.278 -7.996 1.00 41.21 H new ATOM 0 HD23 LEU A 41 31.939 -9.693 -7.637 1.00 41.21 H new ATOM 624 N ASP A 42 27.948 -9.291 -10.600 1.00 15.11 N ATOM 625 CA ASP A 42 27.154 -8.068 -10.566 1.00 41.23 C ATOM 626 C ASP A 42 25.664 -8.388 -10.509 1.00 32.24 C ATOM 627 O ASP A 42 24.962 -7.968 -9.588 1.00 10.10 O ATOM 628 CB ASP A 42 27.456 -7.205 -11.793 1.00 32.13 C ATOM 629 CG ASP A 42 28.927 -6.857 -11.908 1.00 70.53 C ATOM 630 OD1 ASP A 42 29.740 -7.783 -12.112 1.00 5.44 O ATOM 631 OD2 ASP A 42 29.265 -5.660 -11.795 1.00 31.44 O ATOM 0 H ASP A 42 28.482 -9.424 -11.459 1.00 15.11 H new ATOM 0 HA ASP A 42 27.423 -7.515 -9.666 1.00 41.23 H new ATOM 0 HB2 ASP A 42 27.139 -7.733 -12.692 1.00 32.13 H new ATOM 0 HB3 ASP A 42 26.871 -6.287 -11.740 1.00 32.13 H new ATOM 636 N THR A 43 25.185 -9.135 -11.499 1.00 42.10 N ATOM 637 CA THR A 43 23.778 -9.510 -11.563 1.00 3.15 C ATOM 638 C THR A 43 23.314 -10.129 -10.249 1.00 5.10 C ATOM 639 O THR A 43 22.359 -9.657 -9.632 1.00 24.12 O ATOM 640 CB THR A 43 23.513 -10.505 -12.708 1.00 24.22 C ATOM 641 OG1 THR A 43 24.306 -11.684 -12.526 1.00 45.41 O ATOM 642 CG2 THR A 43 23.832 -9.876 -14.056 1.00 32.41 C ATOM 0 H THR A 43 25.752 -9.492 -12.268 1.00 42.10 H new ATOM 0 HA THR A 43 23.215 -8.595 -11.750 1.00 3.15 H new ATOM 0 HB THR A 43 22.456 -10.772 -12.691 1.00 24.22 H new ATOM 0 HG1 THR A 43 25.237 -11.429 -12.355 1.00 45.41 H new ATOM 0 HG21 THR A 43 23.637 -10.598 -14.849 1.00 32.41 H new ATOM 0 HG22 THR A 43 23.206 -8.996 -14.204 1.00 32.41 H new ATOM 0 HG23 THR A 43 24.882 -9.583 -14.082 1.00 32.41 H new ATOM 650 N VAL A 44 23.997 -11.188 -9.826 1.00 20.13 N ATOM 651 CA VAL A 44 23.656 -11.871 -8.583 1.00 53.05 C ATOM 652 C VAL A 44 23.628 -10.897 -7.411 1.00 31.22 C ATOM 653 O VAL A 44 22.758 -10.980 -6.544 1.00 43.51 O ATOM 654 CB VAL A 44 24.653 -13.003 -8.273 1.00 0.00 C ATOM 655 CG1 VAL A 44 24.235 -13.754 -7.018 1.00 1.32 C ATOM 656 CG2 VAL A 44 24.768 -13.951 -9.457 1.00 44.44 C ATOM 0 H VAL A 44 24.789 -11.592 -10.325 1.00 20.13 H new ATOM 0 HA VAL A 44 22.663 -12.299 -8.719 1.00 53.05 H new ATOM 0 HB VAL A 44 25.633 -12.561 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 44 24.951 -14.550 -6.815 1.00 1.32 H new ATOM 0 HG12 VAL A 44 24.209 -13.065 -6.174 1.00 1.32 H new ATOM 0 HG13 VAL A 44 23.245 -14.186 -7.165 1.00 1.32 H new ATOM 0 HG21 VAL A 44 25.477 -14.745 -9.220 1.00 44.44 H new ATOM 0 HG22 VAL A 44 23.792 -14.388 -9.670 1.00 44.44 H new ATOM 0 HG23 VAL A 44 25.118 -13.401 -10.331 1.00 44.44 H new ATOM 666 N GLU A 45 24.585 -9.975 -7.391 1.00 64.33 N ATOM 667 CA GLU A 45 24.670 -8.985 -6.324 1.00 21.41 C ATOM 668 C GLU A 45 23.378 -8.179 -6.226 1.00 44.11 C ATOM 669 O GLU A 45 22.813 -8.020 -5.143 1.00 53.15 O ATOM 670 CB GLU A 45 25.854 -8.046 -6.562 1.00 41.12 C ATOM 671 CG GLU A 45 27.007 -8.263 -5.597 1.00 2.22 C ATOM 672 CD GLU A 45 28.185 -7.351 -5.880 1.00 50.25 C ATOM 673 OE1 GLU A 45 28.277 -6.838 -7.015 1.00 42.34 O ATOM 674 OE2 GLU A 45 29.014 -7.150 -4.969 1.00 20.45 O ATOM 0 H GLU A 45 25.312 -9.893 -8.101 1.00 64.33 H new ATOM 0 HA GLU A 45 24.820 -9.514 -5.383 1.00 21.41 H new ATOM 0 HB2 GLU A 45 26.215 -8.181 -7.582 1.00 41.12 H new ATOM 0 HB3 GLU A 45 25.511 -7.015 -6.479 1.00 41.12 H new ATOM 0 HG2 GLU A 45 26.659 -8.095 -4.578 1.00 2.22 H new ATOM 0 HG3 GLU A 45 27.334 -9.301 -5.655 1.00 2.22 H new ATOM 681 N LEU A 46 22.917 -7.671 -7.364 1.00 24.32 N ATOM 682 CA LEU A 46 21.692 -6.880 -7.408 1.00 25.21 C ATOM 683 C LEU A 46 20.505 -7.686 -6.890 1.00 2.41 C ATOM 684 O LEU A 46 19.750 -7.219 -6.037 1.00 72.10 O ATOM 685 CB LEU A 46 21.418 -6.408 -8.837 1.00 3.33 C ATOM 686 CG LEU A 46 22.552 -5.641 -9.519 1.00 54.12 C ATOM 687 CD1 LEU A 46 22.076 -5.043 -10.834 1.00 74.21 C ATOM 688 CD2 LEU A 46 23.089 -4.553 -8.600 1.00 72.43 C ATOM 0 H LEU A 46 23.373 -7.793 -8.268 1.00 24.32 H new ATOM 0 HA LEU A 46 21.826 -6.011 -6.764 1.00 25.21 H new ATOM 0 HB2 LEU A 46 21.177 -7.279 -9.446 1.00 3.33 H new ATOM 0 HB3 LEU A 46 20.532 -5.773 -8.825 1.00 3.33 H new ATOM 0 HG LEU A 46 23.361 -6.340 -9.732 1.00 54.12 H new ATOM 0 HD11 LEU A 46 22.896 -4.501 -11.305 1.00 74.21 H new ATOM 0 HD12 LEU A 46 21.741 -5.841 -11.496 1.00 74.21 H new ATOM 0 HD13 LEU A 46 21.250 -4.358 -10.644 1.00 74.21 H new ATOM 0 HD21 LEU A 46 23.895 -4.018 -9.102 1.00 72.43 H new ATOM 0 HD22 LEU A 46 22.288 -3.856 -8.355 1.00 72.43 H new ATOM 0 HD23 LEU A 46 23.469 -5.005 -7.684 1.00 72.43 H new ATOM 700 N VAL A 47 20.348 -8.899 -7.410 1.00 13.14 N ATOM 701 CA VAL A 47 19.254 -9.771 -6.997 1.00 65.14 C ATOM 702 C VAL A 47 19.180 -9.879 -5.479 1.00 25.15 C ATOM 703 O VAL A 47 18.112 -9.729 -4.887 1.00 11.11 O ATOM 704 CB VAL A 47 19.407 -11.183 -7.595 1.00 10.44 C ATOM 705 CG1 VAL A 47 18.315 -12.104 -7.073 1.00 71.11 C ATOM 706 CG2 VAL A 47 19.385 -11.123 -9.115 1.00 12.15 C ATOM 0 H VAL A 47 20.964 -9.300 -8.117 1.00 13.14 H new ATOM 0 HA VAL A 47 18.333 -9.323 -7.371 1.00 65.14 H new ATOM 0 HB VAL A 47 20.370 -11.588 -7.285 1.00 10.44 H new ATOM 0 HG11 VAL A 47 18.439 -13.097 -7.506 1.00 71.11 H new ATOM 0 HG12 VAL A 47 18.383 -12.170 -5.987 1.00 71.11 H new ATOM 0 HG13 VAL A 47 17.339 -11.706 -7.351 1.00 71.11 H new ATOM 0 HG21 VAL A 47 19.494 -12.129 -9.520 1.00 12.15 H new ATOM 0 HG22 VAL A 47 18.438 -10.698 -9.449 1.00 12.15 H new ATOM 0 HG23 VAL A 47 20.207 -10.499 -9.466 1.00 12.15 H new ATOM 716 N MET A 48 20.324 -10.140 -4.853 1.00 34.11 N ATOM 717 CA MET A 48 20.388 -10.267 -3.402 1.00 5.54 C ATOM 718 C MET A 48 19.907 -8.988 -2.722 1.00 65.15 C ATOM 719 O MET A 48 19.090 -9.032 -1.804 1.00 32.10 O ATOM 720 CB MET A 48 21.818 -10.586 -2.959 1.00 52.04 C ATOM 721 CG MET A 48 22.392 -11.833 -3.613 1.00 13.23 C ATOM 722 SD MET A 48 24.189 -11.780 -3.750 1.00 73.35 S ATOM 723 CE MET A 48 24.669 -12.597 -2.230 1.00 52.23 C ATOM 0 H MET A 48 21.218 -10.267 -5.328 1.00 34.11 H new ATOM 0 HA MET A 48 19.732 -11.085 -3.105 1.00 5.54 H new ATOM 0 HB2 MET A 48 22.460 -9.736 -3.190 1.00 52.04 H new ATOM 0 HB3 MET A 48 21.835 -10.713 -1.877 1.00 52.04 H new ATOM 0 HG2 MET A 48 22.101 -12.709 -3.033 1.00 13.23 H new ATOM 0 HG3 MET A 48 21.959 -11.950 -4.606 1.00 13.23 H new ATOM 0 HE1 MET A 48 25.756 -12.642 -2.169 1.00 52.23 H new ATOM 0 HE2 MET A 48 24.280 -12.039 -1.378 1.00 52.23 H new ATOM 0 HE3 MET A 48 24.263 -13.608 -2.217 1.00 52.23 H new ATOM 733 N ALA A 49 20.421 -7.851 -3.180 1.00 52.04 N ATOM 734 CA ALA A 49 20.042 -6.561 -2.618 1.00 51.30 C ATOM 735 C ALA A 49 18.536 -6.339 -2.717 1.00 65.25 C ATOM 736 O ALA A 49 17.943 -5.652 -1.885 1.00 22.54 O ATOM 737 CB ALA A 49 20.790 -5.438 -3.322 1.00 22.14 C ATOM 0 H ALA A 49 21.101 -7.797 -3.939 1.00 52.04 H new ATOM 0 HA ALA A 49 20.314 -6.559 -1.563 1.00 51.30 H new ATOM 0 HB1 ALA A 49 20.497 -4.480 -2.892 1.00 22.14 H new ATOM 0 HB2 ALA A 49 21.863 -5.580 -3.195 1.00 22.14 H new ATOM 0 HB3 ALA A 49 20.546 -5.448 -4.384 1.00 22.14 H new ATOM 743 N LEU A 50 17.924 -6.924 -3.741 1.00 13.30 N ATOM 744 CA LEU A 50 16.486 -6.790 -3.950 1.00 1.51 C ATOM 745 C LEU A 50 15.708 -7.617 -2.932 1.00 23.33 C ATOM 746 O LEU A 50 14.707 -7.160 -2.382 1.00 31.31 O ATOM 747 CB LEU A 50 16.114 -7.224 -5.369 1.00 22.45 C ATOM 748 CG LEU A 50 16.640 -6.341 -6.501 1.00 30.33 C ATOM 749 CD1 LEU A 50 16.318 -6.959 -7.853 1.00 4.13 C ATOM 750 CD2 LEU A 50 16.055 -4.940 -6.400 1.00 21.13 C ATOM 0 H LEU A 50 18.400 -7.495 -4.439 1.00 13.30 H new ATOM 0 HA LEU A 50 16.221 -5.741 -3.817 1.00 1.51 H new ATOM 0 HB2 LEU A 50 16.482 -8.238 -5.525 1.00 22.45 H new ATOM 0 HB3 LEU A 50 15.027 -7.264 -5.442 1.00 22.45 H new ATOM 0 HG LEU A 50 17.723 -6.268 -6.406 1.00 30.33 H new ATOM 0 HD11 LEU A 50 16.700 -6.317 -8.647 1.00 4.13 H new ATOM 0 HD12 LEU A 50 16.785 -7.941 -7.925 1.00 4.13 H new ATOM 0 HD13 LEU A 50 15.238 -7.062 -7.958 1.00 4.13 H new ATOM 0 HD21 LEU A 50 16.440 -4.325 -7.214 1.00 21.13 H new ATOM 0 HD22 LEU A 50 14.968 -4.994 -6.469 1.00 21.13 H new ATOM 0 HD23 LEU A 50 16.337 -4.496 -5.445 1.00 21.13 H new ATOM 762 N GLU A 51 16.178 -8.836 -2.685 1.00 21.13 N ATOM 763 CA GLU A 51 15.527 -9.726 -1.731 1.00 74.42 C ATOM 764 C GLU A 51 15.929 -9.380 -0.301 1.00 1.14 C ATOM 765 O GLU A 51 15.361 -9.902 0.658 1.00 41.10 O ATOM 766 CB GLU A 51 15.883 -11.183 -2.034 1.00 72.33 C ATOM 767 CG GLU A 51 17.378 -11.443 -2.103 1.00 4.44 C ATOM 768 CD GLU A 51 17.721 -12.915 -1.987 1.00 60.24 C ATOM 769 OE1 GLU A 51 17.640 -13.625 -3.012 1.00 55.41 O ATOM 770 OE2 GLU A 51 18.070 -13.358 -0.873 1.00 62.45 O ATOM 0 H GLU A 51 17.006 -9.229 -3.132 1.00 21.13 H new ATOM 0 HA GLU A 51 14.449 -9.595 -1.828 1.00 74.42 H new ATOM 0 HB2 GLU A 51 15.447 -11.822 -1.266 1.00 72.33 H new ATOM 0 HB3 GLU A 51 15.429 -11.469 -2.983 1.00 72.33 H new ATOM 0 HG2 GLU A 51 17.767 -11.057 -3.045 1.00 4.44 H new ATOM 0 HG3 GLU A 51 17.876 -10.894 -1.304 1.00 4.44 H new ATOM 777 N GLU A 52 16.913 -8.496 -0.167 1.00 22.35 N ATOM 778 CA GLU A 52 17.393 -8.081 1.147 1.00 73.44 C ATOM 779 C GLU A 52 16.884 -6.686 1.496 1.00 55.23 C ATOM 780 O GLU A 52 16.774 -6.330 2.668 1.00 34.05 O ATOM 781 CB GLU A 52 18.922 -8.103 1.186 1.00 41.22 C ATOM 782 CG GLU A 52 19.509 -9.502 1.270 1.00 43.32 C ATOM 783 CD GLU A 52 19.492 -10.058 2.680 1.00 2.14 C ATOM 784 OE1 GLU A 52 18.501 -9.820 3.401 1.00 55.52 O ATOM 785 OE2 GLU A 52 20.471 -10.732 3.064 1.00 63.05 O ATOM 0 H GLU A 52 17.393 -8.054 -0.951 1.00 22.35 H new ATOM 0 HA GLU A 52 17.008 -8.784 1.885 1.00 73.44 H new ATOM 0 HB2 GLU A 52 19.307 -7.610 0.293 1.00 41.22 H new ATOM 0 HB3 GLU A 52 19.264 -7.523 2.043 1.00 41.22 H new ATOM 0 HG2 GLU A 52 18.948 -10.167 0.614 1.00 43.32 H new ATOM 0 HG3 GLU A 52 20.535 -9.484 0.903 1.00 43.32 H new ATOM 792 N GLU A 53 16.575 -5.901 0.468 1.00 2.53 N ATOM 793 CA GLU A 53 16.079 -4.544 0.667 1.00 43.33 C ATOM 794 C GLU A 53 14.585 -4.462 0.371 1.00 75.14 C ATOM 795 O GLU A 53 13.820 -3.875 1.136 1.00 12.13 O ATOM 796 CB GLU A 53 16.842 -3.563 -0.226 1.00 54.45 C ATOM 797 CG GLU A 53 16.584 -2.104 0.113 1.00 73.22 C ATOM 798 CD GLU A 53 17.144 -1.712 1.466 1.00 24.11 C ATOM 799 OE1 GLU A 53 18.375 -1.522 1.565 1.00 32.34 O ATOM 800 OE2 GLU A 53 16.354 -1.595 2.425 1.00 34.23 O ATOM 0 H GLU A 53 16.659 -6.181 -0.509 1.00 2.53 H new ATOM 0 HA GLU A 53 16.240 -4.275 1.711 1.00 43.33 H new ATOM 0 HB2 GLU A 53 17.910 -3.763 -0.142 1.00 54.45 H new ATOM 0 HB3 GLU A 53 16.565 -3.740 -1.265 1.00 54.45 H new ATOM 0 HG2 GLU A 53 17.027 -1.472 -0.657 1.00 73.22 H new ATOM 0 HG3 GLU A 53 15.510 -1.916 0.100 1.00 73.22 H new ATOM 807 N PHE A 54 14.175 -5.055 -0.746 1.00 43.12 N ATOM 808 CA PHE A 54 12.773 -5.048 -1.145 1.00 72.54 C ATOM 809 C PHE A 54 12.080 -6.340 -0.719 1.00 42.44 C ATOM 810 O PHE A 54 10.893 -6.535 -0.979 1.00 53.43 O ATOM 811 CB PHE A 54 12.653 -4.868 -2.660 1.00 55.30 C ATOM 812 CG PHE A 54 12.993 -3.482 -3.127 1.00 43.52 C ATOM 813 CD1 PHE A 54 12.350 -2.378 -2.591 1.00 52.33 C ATOM 814 CD2 PHE A 54 13.957 -3.282 -4.103 1.00 31.32 C ATOM 815 CE1 PHE A 54 12.661 -1.101 -3.019 1.00 3.33 C ATOM 816 CE2 PHE A 54 14.273 -2.008 -4.534 1.00 11.22 C ATOM 817 CZ PHE A 54 13.623 -0.916 -3.992 1.00 44.31 C ATOM 0 H PHE A 54 14.794 -5.546 -1.391 1.00 43.12 H new ATOM 0 HA PHE A 54 12.283 -4.212 -0.646 1.00 72.54 H new ATOM 0 HB2 PHE A 54 13.311 -5.582 -3.156 1.00 55.30 H new ATOM 0 HB3 PHE A 54 11.635 -5.107 -2.967 1.00 55.30 H new ATOM 0 HD1 PHE A 54 11.597 -2.517 -1.830 1.00 52.33 H new ATOM 0 HD2 PHE A 54 14.467 -4.132 -4.531 1.00 31.32 H new ATOM 0 HE1 PHE A 54 12.152 -0.249 -2.593 1.00 3.33 H new ATOM 0 HE2 PHE A 54 15.027 -1.866 -5.294 1.00 11.22 H new ATOM 0 HZ PHE A 54 13.867 0.081 -4.329 1.00 44.31 H new ATOM 827 N ASP A 55 12.831 -7.218 -0.064 1.00 60.24 N ATOM 828 CA ASP A 55 12.291 -8.491 0.399 1.00 75.03 C ATOM 829 C ASP A 55 11.567 -9.217 -0.731 1.00 34.11 C ATOM 830 O ASP A 55 10.570 -9.904 -0.504 1.00 71.13 O ATOM 831 CB ASP A 55 11.336 -8.267 1.572 1.00 34.23 C ATOM 832 CG ASP A 55 12.035 -7.686 2.785 1.00 1.41 C ATOM 833 OD1 ASP A 55 12.617 -8.467 3.566 1.00 30.35 O ATOM 834 OD2 ASP A 55 12.002 -6.449 2.952 1.00 14.24 O ATOM 0 H ASP A 55 13.816 -7.072 0.158 1.00 60.24 H new ATOM 0 HA ASP A 55 13.123 -9.112 0.731 1.00 75.03 H new ATOM 0 HB2 ASP A 55 10.535 -7.596 1.262 1.00 34.23 H new ATOM 0 HB3 ASP A 55 10.870 -9.214 1.844 1.00 34.23 H new ATOM 839 N THR A 56 12.074 -9.060 -1.950 1.00 11.23 N ATOM 840 CA THR A 56 11.475 -9.698 -3.115 1.00 50.10 C ATOM 841 C THR A 56 12.012 -11.112 -3.304 1.00 42.14 C ATOM 842 O THR A 56 13.213 -11.310 -3.487 1.00 11.42 O ATOM 843 CB THR A 56 11.737 -8.885 -4.397 1.00 71.42 C ATOM 844 OG1 THR A 56 13.121 -8.968 -4.755 1.00 51.12 O ATOM 845 CG2 THR A 56 11.344 -7.429 -4.204 1.00 53.44 C ATOM 0 H THR A 56 12.899 -8.496 -2.156 1.00 11.23 H new ATOM 0 HA THR A 56 10.401 -9.742 -2.935 1.00 50.10 H new ATOM 0 HB THR A 56 11.129 -9.305 -5.198 1.00 71.42 H new ATOM 0 HG1 THR A 56 13.568 -9.626 -4.183 1.00 51.12 H new ATOM 0 HG21 THR A 56 11.538 -6.875 -5.122 1.00 53.44 H new ATOM 0 HG22 THR A 56 10.283 -7.368 -3.960 1.00 53.44 H new ATOM 0 HG23 THR A 56 11.928 -6.999 -3.391 1.00 53.44 H new ATOM 853 N GLU A 57 11.115 -12.092 -3.261 1.00 11.24 N ATOM 854 CA GLU A 57 11.501 -13.488 -3.428 1.00 32.15 C ATOM 855 C GLU A 57 11.946 -13.762 -4.861 1.00 43.32 C ATOM 856 O GLU A 57 11.155 -14.203 -5.694 1.00 74.55 O ATOM 857 CB GLU A 57 10.336 -14.410 -3.059 1.00 4.31 C ATOM 858 CG GLU A 57 10.028 -14.436 -1.571 1.00 42.13 C ATOM 859 CD GLU A 57 9.126 -13.295 -1.142 1.00 71.33 C ATOM 860 OE1 GLU A 57 8.195 -12.958 -1.903 1.00 53.12 O ATOM 861 OE2 GLU A 57 9.351 -12.740 -0.047 1.00 34.03 O ATOM 0 H GLU A 57 10.117 -11.945 -3.112 1.00 11.24 H new ATOM 0 HA GLU A 57 12.339 -13.689 -2.761 1.00 32.15 H new ATOM 0 HB2 GLU A 57 9.445 -14.091 -3.600 1.00 4.31 H new ATOM 0 HB3 GLU A 57 10.565 -15.422 -3.392 1.00 4.31 H new ATOM 0 HG2 GLU A 57 9.553 -15.384 -1.319 1.00 42.13 H new ATOM 0 HG3 GLU A 57 10.961 -14.387 -1.010 1.00 42.13 H new ATOM 868 N ILE A 58 13.218 -13.496 -5.140 1.00 52.53 N ATOM 869 CA ILE A 58 13.769 -13.713 -6.472 1.00 73.31 C ATOM 870 C ILE A 58 14.731 -14.896 -6.482 1.00 72.33 C ATOM 871 O ILE A 58 15.945 -14.742 -6.347 1.00 33.44 O ATOM 872 CB ILE A 58 14.505 -12.463 -6.988 1.00 50.12 C ATOM 873 CG1 ILE A 58 13.566 -11.255 -6.987 1.00 50.24 C ATOM 874 CG2 ILE A 58 15.056 -12.711 -8.384 1.00 62.22 C ATOM 875 CD1 ILE A 58 14.211 -9.988 -7.504 1.00 1.21 C ATOM 0 H ILE A 58 13.886 -13.130 -4.462 1.00 52.53 H new ATOM 0 HA ILE A 58 12.927 -13.926 -7.131 1.00 73.31 H new ATOM 0 HB ILE A 58 15.341 -12.251 -6.321 1.00 50.12 H new ATOM 0 HG12 ILE A 58 12.692 -11.484 -7.597 1.00 50.24 H new ATOM 0 HG13 ILE A 58 13.209 -11.083 -5.971 1.00 50.24 H new ATOM 0 HG21 ILE A 58 15.573 -11.818 -8.735 1.00 62.22 H new ATOM 0 HG22 ILE A 58 15.754 -13.548 -8.356 1.00 62.22 H new ATOM 0 HG23 ILE A 58 14.236 -12.945 -9.063 1.00 62.22 H new ATOM 0 HD11 ILE A 58 13.487 -9.173 -7.475 1.00 1.21 H new ATOM 0 HD12 ILE A 58 15.068 -9.735 -6.880 1.00 1.21 H new ATOM 0 HD13 ILE A 58 14.543 -10.142 -8.531 1.00 1.21 H new ATOM 887 N PRO A 59 14.178 -16.107 -6.649 1.00 20.02 N ATOM 888 CA PRO A 59 14.969 -17.341 -6.683 1.00 43.45 C ATOM 889 C PRO A 59 15.821 -17.448 -7.944 1.00 11.22 C ATOM 890 O PRO A 59 15.792 -16.564 -8.801 1.00 22.42 O ATOM 891 CB PRO A 59 13.908 -18.443 -6.660 1.00 22.54 C ATOM 892 CG PRO A 59 12.689 -17.809 -7.234 1.00 41.32 C ATOM 893 CD PRO A 59 12.738 -16.365 -6.817 1.00 10.03 C ATOM 0 HA PRO A 59 15.677 -17.395 -5.856 1.00 43.45 H new ATOM 0 HB2 PRO A 59 14.220 -19.305 -7.249 1.00 22.54 H new ATOM 0 HB3 PRO A 59 13.729 -18.798 -5.645 1.00 22.54 H new ATOM 0 HG2 PRO A 59 12.676 -17.901 -8.320 1.00 41.32 H new ATOM 0 HG3 PRO A 59 11.786 -18.292 -6.862 1.00 41.32 H new ATOM 0 HD2 PRO A 59 12.299 -15.714 -7.572 1.00 10.03 H new ATOM 0 HD3 PRO A 59 12.189 -16.195 -5.891 1.00 10.03 H new ATOM 901 N ASP A 60 16.577 -18.535 -8.050 1.00 41.34 N ATOM 902 CA ASP A 60 17.436 -18.758 -9.208 1.00 20.14 C ATOM 903 C ASP A 60 16.634 -18.677 -10.503 1.00 25.20 C ATOM 904 O ASP A 60 17.082 -18.085 -11.485 1.00 22.55 O ATOM 905 CB ASP A 60 18.124 -20.120 -9.103 1.00 63.03 C ATOM 906 CG ASP A 60 19.060 -20.206 -7.914 1.00 30.34 C ATOM 907 OD1 ASP A 60 20.119 -19.545 -7.942 1.00 62.02 O ATOM 908 OD2 ASP A 60 18.733 -20.934 -6.954 1.00 34.45 O ATOM 0 H ASP A 60 16.613 -19.275 -7.349 1.00 41.34 H new ATOM 0 HA ASP A 60 18.195 -17.976 -9.223 1.00 20.14 H new ATOM 0 HB2 ASP A 60 17.367 -20.901 -9.023 1.00 63.03 H new ATOM 0 HB3 ASP A 60 18.685 -20.312 -10.018 1.00 63.03 H new ATOM 913 N GLU A 61 15.448 -19.277 -10.497 1.00 61.04 N ATOM 914 CA GLU A 61 14.586 -19.274 -11.673 1.00 53.13 C ATOM 915 C GLU A 61 14.292 -17.847 -12.129 1.00 32.35 C ATOM 916 O GLU A 61 14.577 -17.477 -13.267 1.00 24.42 O ATOM 917 CB GLU A 61 13.276 -20.006 -11.374 1.00 53.34 C ATOM 918 CG GLU A 61 13.352 -21.507 -11.598 1.00 3.33 C ATOM 919 CD GLU A 61 14.197 -22.210 -10.553 1.00 41.40 C ATOM 920 OE1 GLU A 61 13.667 -22.503 -9.461 1.00 55.30 O ATOM 921 OE2 GLU A 61 15.388 -22.466 -10.827 1.00 20.23 O ATOM 0 H GLU A 61 15.063 -19.771 -9.692 1.00 61.04 H new ATOM 0 HA GLU A 61 15.109 -19.793 -12.476 1.00 53.13 H new ATOM 0 HB2 GLU A 61 12.991 -19.816 -10.339 1.00 53.34 H new ATOM 0 HB3 GLU A 61 12.487 -19.593 -12.003 1.00 53.34 H new ATOM 0 HG2 GLU A 61 12.345 -21.924 -11.586 1.00 3.33 H new ATOM 0 HG3 GLU A 61 13.767 -21.703 -12.587 1.00 3.33 H new ATOM 928 N GLU A 62 13.719 -17.052 -11.231 1.00 33.04 N ATOM 929 CA GLU A 62 13.385 -15.667 -11.541 1.00 13.14 C ATOM 930 C GLU A 62 14.638 -14.797 -11.565 1.00 24.23 C ATOM 931 O GLU A 62 14.582 -13.617 -11.910 1.00 33.41 O ATOM 932 CB GLU A 62 12.389 -15.117 -10.517 1.00 23.54 C ATOM 933 CG GLU A 62 10.945 -15.482 -10.816 1.00 31.35 C ATOM 934 CD GLU A 62 10.017 -15.193 -9.652 1.00 1.54 C ATOM 935 OE1 GLU A 62 10.238 -15.759 -8.561 1.00 32.00 O ATOM 936 OE2 GLU A 62 9.070 -14.398 -9.832 1.00 62.41 O ATOM 0 H GLU A 62 13.477 -17.343 -10.284 1.00 33.04 H new ATOM 0 HA GLU A 62 12.928 -15.644 -12.530 1.00 13.14 H new ATOM 0 HB2 GLU A 62 12.653 -15.493 -9.528 1.00 23.54 H new ATOM 0 HB3 GLU A 62 12.480 -14.031 -10.480 1.00 23.54 H new ATOM 0 HG2 GLU A 62 10.608 -14.927 -11.691 1.00 31.35 H new ATOM 0 HG3 GLU A 62 10.887 -16.541 -11.068 1.00 31.35 H new ATOM 943 N ALA A 63 15.769 -15.389 -11.195 1.00 23.31 N ATOM 944 CA ALA A 63 17.037 -14.670 -11.175 1.00 61.32 C ATOM 945 C ALA A 63 17.680 -14.652 -12.558 1.00 75.30 C ATOM 946 O ALA A 63 18.314 -13.671 -12.944 1.00 63.52 O ATOM 947 CB ALA A 63 17.982 -15.295 -10.160 1.00 25.21 C ATOM 0 H ALA A 63 15.833 -16.365 -10.905 1.00 23.31 H new ATOM 0 HA ALA A 63 16.837 -13.639 -10.883 1.00 61.32 H new ATOM 0 HB1 ALA A 63 18.925 -14.748 -10.156 1.00 25.21 H new ATOM 0 HB2 ALA A 63 17.532 -15.250 -9.168 1.00 25.21 H new ATOM 0 HB3 ALA A 63 18.167 -16.335 -10.428 1.00 25.21 H new ATOM 953 N GLU A 64 17.511 -15.744 -13.298 1.00 53.53 N ATOM 954 CA GLU A 64 18.076 -15.852 -14.638 1.00 23.01 C ATOM 955 C GLU A 64 17.343 -14.936 -15.614 1.00 22.21 C ATOM 956 O GLU A 64 17.890 -14.544 -16.645 1.00 55.11 O ATOM 957 CB GLU A 64 18.007 -17.299 -15.129 1.00 74.43 C ATOM 958 CG GLU A 64 18.842 -18.263 -14.304 1.00 34.55 C ATOM 959 CD GLU A 64 20.274 -18.360 -14.792 1.00 30.53 C ATOM 960 OE1 GLU A 64 21.092 -17.500 -14.406 1.00 25.12 O ATOM 961 OE2 GLU A 64 20.576 -19.298 -15.560 1.00 10.30 O ATOM 0 H GLU A 64 16.988 -16.565 -12.993 1.00 53.53 H new ATOM 0 HA GLU A 64 19.120 -15.541 -14.590 1.00 23.01 H new ATOM 0 HB2 GLU A 64 16.968 -17.629 -15.116 1.00 74.43 H new ATOM 0 HB3 GLU A 64 18.341 -17.338 -16.166 1.00 74.43 H new ATOM 0 HG2 GLU A 64 18.838 -17.941 -13.263 1.00 34.55 H new ATOM 0 HG3 GLU A 64 18.384 -19.252 -14.334 1.00 34.55 H new ATOM 968 N LYS A 65 16.102 -14.599 -15.281 1.00 73.41 N ATOM 969 CA LYS A 65 15.292 -13.730 -16.126 1.00 11.52 C ATOM 970 C LYS A 65 15.473 -12.267 -15.732 1.00 41.05 C ATOM 971 O LYS A 65 15.431 -11.377 -16.582 1.00 12.51 O ATOM 972 CB LYS A 65 13.815 -14.117 -16.024 1.00 52.22 C ATOM 973 CG LYS A 65 13.156 -13.668 -14.731 1.00 51.03 C ATOM 974 CD LYS A 65 11.674 -14.005 -14.714 1.00 43.14 C ATOM 975 CE LYS A 65 11.443 -15.505 -14.810 1.00 33.10 C ATOM 976 NZ LYS A 65 11.233 -15.945 -16.217 1.00 64.51 N ATOM 0 H LYS A 65 15.635 -14.915 -14.431 1.00 73.41 H new ATOM 0 HA LYS A 65 15.624 -13.855 -17.157 1.00 11.52 H new ATOM 0 HB2 LYS A 65 13.276 -13.684 -16.866 1.00 52.22 H new ATOM 0 HB3 LYS A 65 13.725 -15.200 -16.111 1.00 52.22 H new ATOM 0 HG2 LYS A 65 13.649 -14.147 -13.885 1.00 51.03 H new ATOM 0 HG3 LYS A 65 13.287 -12.593 -14.609 1.00 51.03 H new ATOM 0 HD2 LYS A 65 11.224 -13.624 -13.797 1.00 43.14 H new ATOM 0 HD3 LYS A 65 11.176 -13.505 -15.545 1.00 43.14 H new ATOM 0 HE2 LYS A 65 12.299 -16.032 -14.389 1.00 33.10 H new ATOM 0 HE3 LYS A 65 10.574 -15.778 -14.211 1.00 33.10 H new ATOM 0 HZ1 LYS A 65 10.241 -16.230 -16.347 1.00 64.51 H new ATOM 0 HZ2 LYS A 65 11.455 -15.161 -16.863 1.00 64.51 H new ATOM 0 HZ3 LYS A 65 11.856 -16.752 -16.425 1.00 64.51 H new ATOM 990 N ILE A 66 15.676 -12.027 -14.441 1.00 41.05 N ATOM 991 CA ILE A 66 15.866 -10.673 -13.937 1.00 43.44 C ATOM 992 C ILE A 66 17.342 -10.289 -13.935 1.00 23.32 C ATOM 993 O ILE A 66 18.030 -10.426 -12.922 1.00 74.11 O ATOM 994 CB ILE A 66 15.305 -10.519 -12.512 1.00 0.54 C ATOM 995 CG1 ILE A 66 13.796 -10.772 -12.504 1.00 22.22 C ATOM 996 CG2 ILE A 66 15.617 -9.133 -11.966 1.00 65.02 C ATOM 997 CD1 ILE A 66 13.019 -9.821 -13.387 1.00 20.30 C ATOM 0 H ILE A 66 15.713 -12.753 -13.725 1.00 41.05 H new ATOM 0 HA ILE A 66 15.321 -10.008 -14.607 1.00 43.44 H new ATOM 0 HB ILE A 66 15.782 -11.258 -11.868 1.00 0.54 H new ATOM 0 HG12 ILE A 66 13.606 -11.795 -12.829 1.00 22.22 H new ATOM 0 HG13 ILE A 66 13.427 -10.689 -11.482 1.00 22.22 H new ATOM 0 HG21 ILE A 66 15.214 -9.040 -10.958 1.00 65.02 H new ATOM 0 HG22 ILE A 66 16.697 -8.987 -11.940 1.00 65.02 H new ATOM 0 HG23 ILE A 66 15.164 -8.378 -12.609 1.00 65.02 H new ATOM 0 HD11 ILE A 66 11.957 -10.059 -13.332 1.00 20.30 H new ATOM 0 HD12 ILE A 66 13.179 -8.797 -13.049 1.00 20.30 H new ATOM 0 HD13 ILE A 66 13.360 -9.920 -14.417 1.00 20.30 H new ATOM 1009 N THR A 67 17.825 -9.806 -15.076 1.00 33.23 N ATOM 1010 CA THR A 67 19.219 -9.402 -15.206 1.00 11.24 C ATOM 1011 C THR A 67 19.334 -8.021 -15.842 1.00 30.42 C ATOM 1012 O THR A 67 20.369 -7.672 -16.411 1.00 31.32 O ATOM 1013 CB THR A 67 20.020 -10.412 -16.049 1.00 4.45 C ATOM 1014 OG1 THR A 67 19.490 -10.471 -17.377 1.00 53.02 O ATOM 1015 CG2 THR A 67 19.980 -11.796 -15.418 1.00 54.44 C ATOM 0 H THR A 67 17.270 -9.685 -15.923 1.00 33.23 H new ATOM 0 HA THR A 67 19.635 -9.371 -14.199 1.00 11.24 H new ATOM 0 HB THR A 67 21.057 -10.078 -16.088 1.00 4.45 H new ATOM 0 HG1 THR A 67 20.006 -11.114 -17.907 1.00 53.02 H new ATOM 0 HG21 THR A 67 20.552 -12.492 -16.031 1.00 54.44 H new ATOM 0 HG22 THR A 67 20.412 -11.753 -14.418 1.00 54.44 H new ATOM 0 HG23 THR A 67 18.947 -12.136 -15.352 1.00 54.44 H new ATOM 1023 N THR A 68 18.265 -7.238 -15.742 1.00 13.41 N ATOM 1024 CA THR A 68 18.246 -5.895 -16.308 1.00 53.11 C ATOM 1025 C THR A 68 17.527 -4.919 -15.384 1.00 54.31 C ATOM 1026 O THR A 68 16.722 -5.321 -14.544 1.00 22.53 O ATOM 1027 CB THR A 68 17.562 -5.877 -17.688 1.00 54.41 C ATOM 1028 OG1 THR A 68 16.140 -5.955 -17.531 1.00 64.44 O ATOM 1029 CG2 THR A 68 18.047 -7.034 -18.548 1.00 51.20 C ATOM 0 H THR A 68 17.401 -7.511 -15.274 1.00 13.41 H new ATOM 0 HA THR A 68 19.285 -5.585 -16.421 1.00 53.11 H new ATOM 0 HB THR A 68 17.821 -4.942 -18.185 1.00 54.41 H new ATOM 0 HG1 THR A 68 15.712 -5.941 -18.413 1.00 64.44 H new ATOM 0 HG21 THR A 68 17.550 -7.000 -19.517 1.00 51.20 H new ATOM 0 HG22 THR A 68 19.125 -6.955 -18.690 1.00 51.20 H new ATOM 0 HG23 THR A 68 17.814 -7.977 -18.054 1.00 51.20 H new ATOM 1037 N VAL A 69 17.821 -3.632 -15.545 1.00 72.43 N ATOM 1038 CA VAL A 69 17.201 -2.598 -14.726 1.00 55.23 C ATOM 1039 C VAL A 69 15.680 -2.675 -14.803 1.00 11.51 C ATOM 1040 O VAL A 69 15.009 -2.898 -13.796 1.00 20.23 O ATOM 1041 CB VAL A 69 17.655 -1.191 -15.160 1.00 21.45 C ATOM 1042 CG1 VAL A 69 17.107 -0.137 -14.210 1.00 53.14 C ATOM 1043 CG2 VAL A 69 19.173 -1.120 -15.229 1.00 21.41 C ATOM 0 H VAL A 69 18.485 -3.281 -16.235 1.00 72.43 H new ATOM 0 HA VAL A 69 17.520 -2.774 -13.699 1.00 55.23 H new ATOM 0 HB VAL A 69 17.258 -0.990 -16.155 1.00 21.45 H new ATOM 0 HG11 VAL A 69 17.438 0.850 -14.532 1.00 53.14 H new ATOM 0 HG12 VAL A 69 16.018 -0.174 -14.215 1.00 53.14 H new ATOM 0 HG13 VAL A 69 17.472 -0.331 -13.202 1.00 53.14 H new ATOM 0 HG21 VAL A 69 19.477 -0.120 -15.537 1.00 21.41 H new ATOM 0 HG22 VAL A 69 19.593 -1.341 -14.247 1.00 21.41 H new ATOM 0 HG23 VAL A 69 19.539 -1.849 -15.952 1.00 21.41 H new ATOM 1053 N GLN A 70 15.143 -2.488 -16.004 1.00 42.14 N ATOM 1054 CA GLN A 70 13.701 -2.536 -16.212 1.00 13.10 C ATOM 1055 C GLN A 70 13.109 -3.813 -15.626 1.00 34.23 C ATOM 1056 O GLN A 70 12.071 -3.781 -14.964 1.00 63.44 O ATOM 1057 CB GLN A 70 13.376 -2.447 -17.704 1.00 53.01 C ATOM 1058 CG GLN A 70 11.888 -2.511 -18.007 1.00 75.55 C ATOM 1059 CD GLN A 70 11.157 -1.241 -17.620 1.00 2.14 C ATOM 1060 OE1 GLN A 70 10.966 -1.040 -16.321 1.00 13.23 O flip ATOM 1061 NE2 GLN A 70 10.769 -0.448 -18.478 1.00 22.51 N flip ATOM 0 H GLN A 70 15.685 -2.302 -16.848 1.00 42.14 H new ATOM 0 HA GLN A 70 13.257 -1.683 -15.699 1.00 13.10 H new ATOM 0 HB2 GLN A 70 13.779 -1.515 -18.100 1.00 53.01 H new ATOM 0 HB3 GLN A 70 13.880 -3.260 -18.226 1.00 53.01 H new ATOM 0 HG2 GLN A 70 11.746 -2.697 -19.072 1.00 75.55 H new ATOM 0 HG3 GLN A 70 11.449 -3.355 -17.475 1.00 75.55 H new ATOM 0 HE21 GLN A 70 10.937 -0.642 -19.465 1.00 22.51 H new ATOM 0 HE22 GLN A 70 10.279 0.403 -18.202 1.00 22.51 H new ATOM 1070 N ALA A 71 13.775 -4.936 -15.873 1.00 73.32 N ATOM 1071 CA ALA A 71 13.315 -6.224 -15.369 1.00 22.15 C ATOM 1072 C ALA A 71 13.290 -6.239 -13.844 1.00 25.11 C ATOM 1073 O ALA A 71 12.344 -6.736 -13.234 1.00 0.31 O ATOM 1074 CB ALA A 71 14.201 -7.344 -15.895 1.00 13.20 C ATOM 0 H ALA A 71 14.635 -4.980 -16.419 1.00 73.32 H new ATOM 0 HA ALA A 71 12.297 -6.383 -15.725 1.00 22.15 H new ATOM 0 HB1 ALA A 71 13.846 -8.300 -15.510 1.00 13.20 H new ATOM 0 HB2 ALA A 71 14.165 -7.355 -16.984 1.00 13.20 H new ATOM 0 HB3 ALA A 71 15.228 -7.180 -15.567 1.00 13.20 H new ATOM 1080 N ALA A 72 14.337 -5.692 -13.234 1.00 63.43 N ATOM 1081 CA ALA A 72 14.434 -5.642 -11.781 1.00 25.12 C ATOM 1082 C ALA A 72 13.394 -4.695 -11.194 1.00 14.15 C ATOM 1083 O ALA A 72 12.557 -5.101 -10.386 1.00 42.21 O ATOM 1084 CB ALA A 72 15.834 -5.218 -11.360 1.00 32.22 C ATOM 0 H ALA A 72 15.130 -5.277 -13.724 1.00 63.43 H new ATOM 0 HA ALA A 72 14.237 -6.642 -11.394 1.00 25.12 H new ATOM 0 HB1 ALA A 72 15.892 -5.185 -10.272 1.00 32.22 H new ATOM 0 HB2 ALA A 72 16.561 -5.935 -11.741 1.00 32.22 H new ATOM 0 HB3 ALA A 72 16.052 -4.230 -11.765 1.00 32.22 H new ATOM 1090 N ILE A 73 13.451 -3.432 -11.603 1.00 65.32 N ATOM 1091 CA ILE A 73 12.513 -2.428 -11.117 1.00 61.32 C ATOM 1092 C ILE A 73 11.072 -2.896 -11.286 1.00 15.10 C ATOM 1093 O ILE A 73 10.205 -2.578 -10.471 1.00 5.31 O ATOM 1094 CB ILE A 73 12.695 -1.086 -11.851 1.00 32.24 C ATOM 1095 CG1 ILE A 73 11.868 0.007 -11.171 1.00 3.33 C ATOM 1096 CG2 ILE A 73 12.300 -1.224 -13.313 1.00 72.23 C ATOM 1097 CD1 ILE A 73 12.587 0.684 -10.024 1.00 63.45 C ATOM 0 H ILE A 73 14.137 -3.080 -12.270 1.00 65.32 H new ATOM 0 HA ILE A 73 12.724 -2.285 -10.057 1.00 61.32 H new ATOM 0 HB ILE A 73 13.746 -0.803 -11.805 1.00 32.24 H new ATOM 0 HG12 ILE A 73 11.595 0.758 -11.912 1.00 3.33 H new ATOM 0 HG13 ILE A 73 10.940 -0.428 -10.801 1.00 3.33 H new ATOM 0 HG21 ILE A 73 12.434 -0.267 -13.818 1.00 72.23 H new ATOM 0 HG22 ILE A 73 12.927 -1.977 -13.790 1.00 72.23 H new ATOM 0 HG23 ILE A 73 11.255 -1.526 -13.381 1.00 72.23 H new ATOM 0 HD11 ILE A 73 11.941 1.447 -9.590 1.00 63.45 H new ATOM 0 HD12 ILE A 73 12.837 -0.056 -9.264 1.00 63.45 H new ATOM 0 HD13 ILE A 73 13.502 1.149 -10.392 1.00 63.45 H new ATOM 1109 N ASP A 74 10.822 -3.654 -12.348 1.00 31.12 N ATOM 1110 CA ASP A 74 9.485 -4.169 -12.623 1.00 4.14 C ATOM 1111 C ASP A 74 9.104 -5.254 -11.620 1.00 42.31 C ATOM 1112 O ASP A 74 7.999 -5.251 -11.077 1.00 50.04 O ATOM 1113 CB ASP A 74 9.412 -4.724 -14.046 1.00 1.11 C ATOM 1114 CG ASP A 74 7.994 -5.062 -14.463 1.00 65.40 C ATOM 1115 OD1 ASP A 74 7.050 -4.551 -13.826 1.00 11.41 O ATOM 1116 OD2 ASP A 74 7.829 -5.838 -15.427 1.00 65.42 O ATOM 0 H ASP A 74 11.527 -3.926 -13.033 1.00 31.12 H new ATOM 0 HA ASP A 74 8.778 -3.345 -12.526 1.00 4.14 H new ATOM 0 HB2 ASP A 74 9.827 -3.993 -14.740 1.00 1.11 H new ATOM 0 HB3 ASP A 74 10.031 -5.618 -14.116 1.00 1.11 H new ATOM 1121 N TYR A 75 10.025 -6.180 -11.380 1.00 24.01 N ATOM 1122 CA TYR A 75 9.785 -7.273 -10.445 1.00 73.14 C ATOM 1123 C TYR A 75 9.397 -6.739 -9.070 1.00 55.42 C ATOM 1124 O TYR A 75 8.341 -7.078 -8.534 1.00 43.24 O ATOM 1125 CB TYR A 75 11.028 -8.156 -10.329 1.00 45.13 C ATOM 1126 CG TYR A 75 10.769 -9.482 -9.650 1.00 52.42 C ATOM 1127 CD1 TYR A 75 10.434 -9.540 -8.303 1.00 21.22 C ATOM 1128 CD2 TYR A 75 10.859 -10.675 -10.355 1.00 61.32 C ATOM 1129 CE1 TYR A 75 10.197 -10.749 -7.678 1.00 34.22 C ATOM 1130 CE2 TYR A 75 10.622 -11.889 -9.739 1.00 12.42 C ATOM 1131 CZ TYR A 75 10.291 -11.920 -8.400 1.00 62.41 C ATOM 1132 OH TYR A 75 10.056 -13.127 -7.782 1.00 75.11 O ATOM 0 H TYR A 75 10.945 -6.196 -11.820 1.00 24.01 H new ATOM 0 HA TYR A 75 8.958 -7.870 -10.829 1.00 73.14 H new ATOM 0 HB2 TYR A 75 11.427 -8.340 -11.327 1.00 45.13 H new ATOM 0 HB3 TYR A 75 11.795 -7.617 -9.774 1.00 45.13 H new ATOM 0 HD1 TYR A 75 10.358 -8.625 -7.735 1.00 21.22 H new ATOM 0 HD2 TYR A 75 11.119 -10.654 -11.403 1.00 61.32 H new ATOM 0 HE1 TYR A 75 9.939 -10.777 -6.630 1.00 34.22 H new ATOM 0 HE2 TYR A 75 10.695 -12.808 -10.302 1.00 12.42 H new ATOM 0 HH TYR A 75 10.686 -13.243 -7.040 1.00 75.11 H new ATOM 1142 N VAL A 76 10.258 -5.899 -8.504 1.00 31.41 N ATOM 1143 CA VAL A 76 10.006 -5.315 -7.192 1.00 21.20 C ATOM 1144 C VAL A 76 8.740 -4.466 -7.202 1.00 71.23 C ATOM 1145 O VAL A 76 7.969 -4.471 -6.243 1.00 64.13 O ATOM 1146 CB VAL A 76 11.190 -4.446 -6.728 1.00 20.21 C ATOM 1147 CG1 VAL A 76 12.417 -5.308 -6.471 1.00 51.13 C ATOM 1148 CG2 VAL A 76 11.492 -3.366 -7.756 1.00 25.05 C ATOM 0 H VAL A 76 11.136 -5.608 -8.934 1.00 31.41 H new ATOM 0 HA VAL A 76 9.878 -6.144 -6.496 1.00 21.20 H new ATOM 0 HB VAL A 76 10.916 -3.959 -5.792 1.00 20.21 H new ATOM 0 HG11 VAL A 76 13.243 -4.677 -6.144 1.00 51.13 H new ATOM 0 HG12 VAL A 76 12.191 -6.040 -5.696 1.00 51.13 H new ATOM 0 HG13 VAL A 76 12.697 -5.825 -7.389 1.00 51.13 H new ATOM 0 HG21 VAL A 76 12.331 -2.761 -7.412 1.00 25.05 H new ATOM 0 HG22 VAL A 76 11.746 -3.831 -8.709 1.00 25.05 H new ATOM 0 HG23 VAL A 76 10.616 -2.731 -7.885 1.00 25.05 H new ATOM 1158 N ASN A 77 8.531 -3.738 -8.294 1.00 44.23 N ATOM 1159 CA ASN A 77 7.358 -2.883 -8.430 1.00 52.30 C ATOM 1160 C ASN A 77 6.086 -3.718 -8.538 1.00 53.02 C ATOM 1161 O ASN A 77 4.992 -3.244 -8.231 1.00 72.32 O ATOM 1162 CB ASN A 77 7.496 -1.983 -9.659 1.00 43.54 C ATOM 1163 CG ASN A 77 6.329 -1.026 -9.810 1.00 71.44 C ATOM 1164 OD1 ASN A 77 6.589 0.261 -9.612 1.00 31.44 O flip ATOM 1165 ND2 ASN A 77 5.207 -1.440 -10.103 1.00 31.43 N flip ATOM 0 H ASN A 77 9.159 -3.723 -9.098 1.00 44.23 H new ATOM 0 HA ASN A 77 7.288 -2.260 -7.538 1.00 52.30 H new ATOM 0 HB2 ASN A 77 8.422 -1.413 -9.586 1.00 43.54 H new ATOM 0 HB3 ASN A 77 7.572 -2.602 -10.553 1.00 43.54 H new ATOM 0 HD21 ASN A 77 5.053 -2.438 -10.246 1.00 31.43 H new ATOM 0 HD22 ASN A 77 4.432 -0.785 -10.203 1.00 31.43 H new ATOM 1172 N SER A 78 6.238 -4.964 -8.976 1.00 53.32 N ATOM 1173 CA SER A 78 5.101 -5.865 -9.128 1.00 42.41 C ATOM 1174 C SER A 78 4.882 -6.682 -7.858 1.00 43.25 C ATOM 1175 O SER A 78 3.753 -7.046 -7.528 1.00 25.52 O ATOM 1176 CB SER A 78 5.320 -6.800 -10.319 1.00 3.12 C ATOM 1177 OG SER A 78 4.245 -7.713 -10.455 1.00 1.22 O ATOM 0 H SER A 78 7.137 -5.372 -9.232 1.00 53.32 H new ATOM 0 HA SER A 78 4.212 -5.261 -9.308 1.00 42.41 H new ATOM 0 HB2 SER A 78 5.421 -6.213 -11.232 1.00 3.12 H new ATOM 0 HB3 SER A 78 6.253 -7.349 -10.188 1.00 3.12 H new ATOM 0 HG SER A 78 4.408 -8.298 -11.224 1.00 1.22 H new ATOM 1183 N HIS A 79 5.971 -6.966 -7.150 1.00 73.34 N ATOM 1184 CA HIS A 79 5.899 -7.740 -5.916 1.00 61.21 C ATOM 1185 C HIS A 79 5.798 -6.820 -4.703 1.00 63.21 C ATOM 1186 O HIS A 79 6.577 -6.938 -3.758 1.00 2.13 O ATOM 1187 CB HIS A 79 7.125 -8.644 -5.784 1.00 70.54 C ATOM 1188 CG HIS A 79 7.068 -9.861 -6.656 1.00 31.33 C ATOM 1189 ND1 HIS A 79 6.926 -9.800 -8.026 1.00 12.11 N ATOM 1190 CD2 HIS A 79 7.137 -11.177 -6.345 1.00 15.13 C ATOM 1191 CE1 HIS A 79 6.908 -11.025 -8.520 1.00 13.02 C ATOM 1192 NE2 HIS A 79 7.034 -11.879 -7.520 1.00 64.14 N ATOM 0 H HIS A 79 6.913 -6.672 -7.410 1.00 73.34 H new ATOM 0 HA HIS A 79 5.003 -8.359 -5.956 1.00 61.21 H new ATOM 0 HB2 HIS A 79 8.018 -8.070 -6.033 1.00 70.54 H new ATOM 0 HB3 HIS A 79 7.226 -8.956 -4.745 1.00 70.54 H new ATOM 0 HD2 HIS A 79 7.252 -11.596 -5.356 1.00 15.13 H new ATOM 0 HE1 HIS A 79 6.807 -11.284 -9.564 1.00 13.02 H new ATOM 0 HE2 HIS A 79 7.052 -12.895 -7.607 1.00 64.14 H new ATOM 1200 N GLN A 80 4.835 -5.905 -4.739 1.00 31.32 N ATOM 1201 CA GLN A 80 4.634 -4.965 -3.643 1.00 3.22 C ATOM 1202 C GLN A 80 3.515 -5.435 -2.720 1.00 55.22 C ATOM 1203 O GLN A 80 3.029 -4.677 -1.880 1.00 10.14 O ATOM 1204 CB GLN A 80 4.310 -3.573 -4.190 1.00 25.45 C ATOM 1205 CG GLN A 80 5.446 -2.954 -4.987 1.00 44.43 C ATOM 1206 CD GLN A 80 5.145 -1.535 -5.427 1.00 14.52 C ATOM 1207 OE1 GLN A 80 5.743 -0.579 -4.932 1.00 51.44 O ATOM 1208 NE2 GLN A 80 4.212 -1.390 -6.361 1.00 40.50 N ATOM 0 H GLN A 80 4.182 -5.795 -5.515 1.00 31.32 H new ATOM 0 HA GLN A 80 5.558 -4.915 -3.067 1.00 3.22 H new ATOM 0 HB2 GLN A 80 3.425 -3.637 -4.824 1.00 25.45 H new ATOM 0 HB3 GLN A 80 4.059 -2.914 -3.359 1.00 25.45 H new ATOM 0 HG2 GLN A 80 6.353 -2.958 -4.383 1.00 44.43 H new ATOM 0 HG3 GLN A 80 5.645 -3.568 -5.865 1.00 44.43 H new ATOM 0 HE21 GLN A 80 3.742 -2.210 -6.744 1.00 40.50 H new ATOM 0 HE22 GLN A 80 3.966 -0.458 -6.696 1.00 40.50 H new TER 1217 GLN A 80