USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 778 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 5 ASN :FLIP amide:sc= 1 F(o=-2.7!,f=0.41) USER MOD Set 1.2: A 10 HIS : no HE2:sc= -1.08 K(o=0.41,f=-15!) USER MOD Set 1.3: A 96 SER OG : rot 6:sc= 0.488 USER MOD Set 2.1: A 81 ASN : amide:sc= -0.283 K(o=0.28,f=-5.8!) USER MOD Set 2.2: A 82 THR OG1 : rot 58:sc= 0.567 USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -0.355 F(o=-3.3!,f=-1.7) USER MOD Set 3.2: A 61 HIS :FLIP no HE2:sc= -1.38 X(o=-1.8,f=-1.7) USER MOD Set 4.1: A 22 THR OG1 : rot 66:sc= 1.31 USER MOD Set 4.2: A 69 ASN : amide:sc= 2 K(o=3.3,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.107 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.074) USER MOD Single : A 3 MET CE :methyl 147:sc= -0.151 (180deg=-1.58) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 163:sc= -0.45 (180deg=-1.11) USER MOD Single : A 15 CYS SG : rot -169:sc= 1.17 USER MOD Single : A 23 ASN : amide:sc= -1.96! X(o=-2!,f=-2.2) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.122 K(o=0.12,f=-4.4!) USER MOD Single : A 33 MET CE :methyl -119:sc= -4.1! (180deg=-6.26!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.38! C(o=-6!,f=-4.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 65:sc= -0.335 USER MOD Single : A 44 SER OG : rot -63:sc= 1.19 USER MOD Single : A 50 SER OG : rot -75:sc= 1.21 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0248 (180deg=-0.162) USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0.165) USER MOD Single : A 62 SER OG : rot -136:sc= -0.0973 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 70 TYR OH : rot -155:sc= -0.886 USER MOD Single : A 72 THR OG1 : rot 172:sc= 0.795 USER MOD Single : A 74 LYS NZ :NH3+ 151:sc= 0.654 (180deg=-0.293!) USER MOD Single : A 84 ASN : amide:sc= -4.35! C(o=-4.4!,f=-10!) USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= -3.28! (180deg=-4.34!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= -1.2 (180deg=-3.06!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.943 3.206 -18.296 1.00 0.00 N ATOM 2 CA GLY A 1 6.973 4.057 -17.566 1.00 0.00 C ATOM 3 C GLY A 1 7.621 5.306 -17.012 1.00 0.00 C ATOM 4 O GLY A 1 8.844 5.445 -17.045 1.00 0.00 O ATOM 0 H1 GLY A 1 7.644 3.110 -19.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.885 3.644 -18.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.981 2.266 -17.854 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.160 4.337 -18.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.531 3.485 -16.750 1.00 0.00 H new ATOM 10 N HIS A 2 6.806 6.218 -16.505 1.00 0.00 N ATOM 11 CA HIS A 2 7.301 7.466 -15.947 1.00 0.00 C ATOM 12 C HIS A 2 7.100 7.491 -14.434 1.00 0.00 C ATOM 13 O HIS A 2 6.119 8.050 -13.942 1.00 0.00 O ATOM 14 CB HIS A 2 6.596 8.661 -16.606 1.00 0.00 C ATOM 15 CG HIS A 2 7.002 9.995 -16.050 1.00 0.00 C ATOM 16 ND1 HIS A 2 6.165 10.772 -15.281 1.00 0.00 N ATOM 17 CD2 HIS A 2 8.160 10.687 -16.151 1.00 0.00 C ATOM 18 CE1 HIS A 2 6.788 11.880 -14.935 1.00 0.00 C ATOM 19 NE2 HIS A 2 8.002 11.855 -15.449 1.00 0.00 N ATOM 0 H HIS A 2 5.792 6.115 -16.469 1.00 0.00 H new ATOM 0 HA HIS A 2 8.369 7.539 -16.152 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.804 8.647 -17.676 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.519 8.543 -16.489 1.00 0.00 H new ATOM 0 HD2 HIS A 2 9.046 10.377 -16.686 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.374 12.675 -14.332 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.707 12.584 -15.342 1.00 0.00 H new ATOM 28 N MET A 3 8.032 6.868 -13.718 1.00 0.00 N ATOM 29 CA MET A 3 8.033 6.867 -12.256 1.00 0.00 C ATOM 30 C MET A 3 6.778 6.195 -11.697 1.00 0.00 C ATOM 31 O MET A 3 5.734 6.831 -11.531 1.00 0.00 O ATOM 32 CB MET A 3 8.160 8.299 -11.722 1.00 0.00 C ATOM 33 CG MET A 3 8.164 8.397 -10.205 1.00 0.00 C ATOM 34 SD MET A 3 8.418 10.082 -9.616 1.00 0.00 S ATOM 35 CE MET A 3 7.055 10.931 -10.409 1.00 0.00 C ATOM 0 H MET A 3 8.807 6.350 -14.133 1.00 0.00 H new ATOM 0 HA MET A 3 8.895 6.289 -11.922 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.080 8.738 -12.106 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.335 8.895 -12.112 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.217 8.020 -9.818 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.949 7.755 -9.806 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.705 11.738 -9.765 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.388 11.344 -11.361 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.241 10.228 -10.584 1.00 0.00 H new ATOM 45 N SER A 4 6.888 4.904 -11.420 1.00 0.00 N ATOM 46 CA SER A 4 5.786 4.146 -10.852 1.00 0.00 C ATOM 47 C SER A 4 5.402 4.701 -9.483 1.00 0.00 C ATOM 48 O SER A 4 4.221 4.821 -9.153 1.00 0.00 O ATOM 49 CB SER A 4 6.171 2.669 -10.752 1.00 0.00 C ATOM 50 OG SER A 4 7.472 2.516 -10.207 1.00 0.00 O ATOM 0 H SER A 4 7.735 4.358 -11.581 1.00 0.00 H new ATOM 0 HA SER A 4 4.919 4.238 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.448 2.143 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.131 2.212 -11.741 1.00 0.00 H new ATOM 0 HG SER A 4 7.694 1.563 -10.152 1.00 0.00 H new ATOM 56 N ASN A 5 6.406 5.068 -8.699 1.00 0.00 N ATOM 57 CA ASN A 5 6.171 5.647 -7.385 1.00 0.00 C ATOM 58 C ASN A 5 5.888 7.141 -7.521 1.00 0.00 C ATOM 59 O ASN A 5 6.681 7.978 -7.080 1.00 0.00 O ATOM 60 CB ASN A 5 7.377 5.423 -6.463 1.00 0.00 C ATOM 61 CG ASN A 5 7.050 5.664 -4.996 1.00 0.00 C ATOM 62 OD1 ASN A 5 7.071 6.920 -4.572 1.00 0.00 O flip ATOM 63 ND2 ASN A 5 6.764 4.729 -4.250 1.00 0.00 N flip ATOM 0 H ASN A 5 7.390 4.975 -8.950 1.00 0.00 H new ATOM 0 HA ASN A 5 5.306 5.154 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.739 4.402 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.187 6.087 -6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.757 3.774 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.534 4.908 -3.273 1.00 0.00 H new ATOM 70 N GLY A 6 4.764 7.471 -8.146 1.00 0.00 N ATOM 71 CA GLY A 6 4.355 8.860 -8.275 1.00 0.00 C ATOM 72 C GLY A 6 3.805 9.409 -6.975 1.00 0.00 C ATOM 73 O GLY A 6 2.663 9.853 -6.906 1.00 0.00 O ATOM 0 H GLY A 6 4.124 6.798 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.207 9.462 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.598 8.945 -9.054 1.00 0.00 H new ATOM 77 N TYR A 7 4.631 9.359 -5.951 1.00 0.00 N ATOM 78 CA TYR A 7 4.268 9.784 -4.613 1.00 0.00 C ATOM 79 C TYR A 7 5.563 10.100 -3.877 1.00 0.00 C ATOM 80 O TYR A 7 5.987 9.376 -2.975 1.00 0.00 O ATOM 81 CB TYR A 7 3.485 8.665 -3.905 1.00 0.00 C ATOM 82 CG TYR A 7 2.641 9.117 -2.732 1.00 0.00 C ATOM 83 CD1 TYR A 7 1.269 9.302 -2.876 1.00 0.00 C ATOM 84 CD2 TYR A 7 3.205 9.347 -1.483 1.00 0.00 C ATOM 85 CE1 TYR A 7 0.489 9.703 -1.811 1.00 0.00 C ATOM 86 CE2 TYR A 7 2.428 9.750 -0.412 1.00 0.00 C ATOM 87 CZ TYR A 7 1.071 9.926 -0.583 1.00 0.00 C ATOM 88 OH TYR A 7 0.293 10.323 0.482 1.00 0.00 O ATOM 0 H TYR A 7 5.589 9.017 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 7 3.627 10.665 -4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.836 8.179 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.192 7.913 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.808 9.129 -3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.267 9.209 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.574 9.842 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.881 9.926 0.552 1.00 0.00 H new ATOM 0 HH TYR A 7 0.857 10.436 1.275 1.00 0.00 H new ATOM 98 N GLU A 8 6.223 11.155 -4.327 1.00 0.00 N ATOM 99 CA GLU A 8 7.573 11.464 -3.888 1.00 0.00 C ATOM 100 C GLU A 8 7.622 11.997 -2.467 1.00 0.00 C ATOM 101 O GLU A 8 6.887 12.917 -2.099 1.00 0.00 O ATOM 102 CB GLU A 8 8.244 12.454 -4.838 1.00 0.00 C ATOM 103 CG GLU A 8 8.193 12.012 -6.283 1.00 0.00 C ATOM 104 CD GLU A 8 7.028 12.620 -7.041 1.00 0.00 C ATOM 105 OE1 GLU A 8 7.248 13.611 -7.769 1.00 0.00 O ATOM 106 OE2 GLU A 8 5.887 12.127 -6.903 1.00 0.00 O1- ATOM 0 H GLU A 8 5.841 11.817 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 8 8.121 10.522 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.759 13.426 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.284 12.587 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.125 12.288 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.120 10.925 -6.324 1.00 0.00 H new ATOM 113 N ASP A 9 8.528 11.401 -1.708 1.00 0.00 N ATOM 114 CA ASP A 9 8.803 11.756 -0.309 1.00 0.00 C ATOM 115 C ASP A 9 9.669 10.665 0.299 1.00 0.00 C ATOM 116 O ASP A 9 10.427 10.886 1.239 1.00 0.00 O ATOM 117 CB ASP A 9 7.517 11.933 0.519 1.00 0.00 C ATOM 118 CG ASP A 9 7.022 10.649 1.159 1.00 0.00 C ATOM 119 OD1 ASP A 9 7.046 10.559 2.409 1.00 0.00 O ATOM 120 OD2 ASP A 9 6.611 9.732 0.422 1.00 0.00 O1- ATOM 0 H ASP A 9 9.111 10.637 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 9 9.318 12.717 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.697 12.672 1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.733 12.333 -0.124 1.00 0.00 H new ATOM 125 N HIS A 10 9.540 9.491 -0.291 1.00 0.00 N ATOM 126 CA HIS A 10 10.297 8.304 0.098 1.00 0.00 C ATOM 127 C HIS A 10 10.940 7.685 -1.139 1.00 0.00 C ATOM 128 O HIS A 10 11.377 6.536 -1.121 1.00 0.00 O ATOM 129 CB HIS A 10 9.363 7.270 0.751 1.00 0.00 C ATOM 130 CG HIS A 10 8.323 6.740 -0.197 1.00 0.00 C ATOM 131 ND1 HIS A 10 7.175 7.429 -0.515 1.00 0.00 N ATOM 132 CD2 HIS A 10 8.299 5.613 -0.944 1.00 0.00 C ATOM 133 CE1 HIS A 10 6.496 6.757 -1.420 1.00 0.00 C ATOM 134 NE2 HIS A 10 7.152 5.647 -1.698 1.00 0.00 N ATOM 0 H HIS A 10 8.898 9.327 -1.066 1.00 0.00 H new ATOM 0 HA HIS A 10 11.067 8.594 0.813 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.958 6.439 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.867 7.726 1.608 1.00 0.00 H new ATOM 0 HD1 HIS A 10 6.894 8.323 -0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.044 4.831 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.559 7.063 -1.861 1.00 0.00 H new ATOM 143 N MET A 11 10.967 8.455 -2.218 1.00 0.00 N ATOM 144 CA MET A 11 11.398 7.952 -3.513 1.00 0.00 C ATOM 145 C MET A 11 12.901 7.724 -3.531 1.00 0.00 C ATOM 146 O MET A 11 13.378 6.677 -3.969 1.00 0.00 O ATOM 147 CB MET A 11 10.995 8.938 -4.613 1.00 0.00 C ATOM 148 CG MET A 11 11.605 8.634 -5.969 1.00 0.00 C ATOM 149 SD MET A 11 11.162 9.855 -7.222 1.00 0.00 S ATOM 150 CE MET A 11 11.724 11.372 -6.447 1.00 0.00 C ATOM 0 H MET A 11 10.693 9.438 -2.220 1.00 0.00 H new ATOM 0 HA MET A 11 10.909 6.995 -3.695 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.909 8.938 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 11 11.289 9.943 -4.311 1.00 0.00 H new ATOM 0 HG2 MET A 11 12.690 8.594 -5.874 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.278 7.648 -6.297 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.800 12.158 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.013 11.673 -5.678 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.701 11.208 -5.993 1.00 0.00 H new ATOM 160 N ALA A 12 13.636 8.705 -3.042 1.00 0.00 N ATOM 161 CA ALA A 12 15.083 8.621 -3.007 1.00 0.00 C ATOM 162 C ALA A 12 15.558 8.046 -1.680 1.00 0.00 C ATOM 163 O ALA A 12 16.269 7.041 -1.638 1.00 0.00 O ATOM 164 CB ALA A 12 15.689 9.997 -3.234 1.00 0.00 C ATOM 0 H ALA A 12 13.253 9.571 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 12 15.411 7.953 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.776 9.925 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.375 10.377 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.350 10.677 -2.452 1.00 0.00 H new ATOM 170 N GLU A 13 15.136 8.684 -0.600 1.00 0.00 N ATOM 171 CA GLU A 13 15.585 8.329 0.736 1.00 0.00 C ATOM 172 C GLU A 13 14.679 8.979 1.774 1.00 0.00 C ATOM 173 O GLU A 13 13.640 9.542 1.420 1.00 0.00 O ATOM 174 CB GLU A 13 17.031 8.792 0.931 1.00 0.00 C ATOM 175 CG GLU A 13 17.245 10.254 0.574 1.00 0.00 C ATOM 176 CD GLU A 13 18.687 10.679 0.698 1.00 0.00 C ATOM 177 OE1 GLU A 13 19.478 10.402 -0.229 1.00 0.00 O ATOM 178 OE2 GLU A 13 19.042 11.296 1.723 1.00 0.00 O1- ATOM 0 H GLU A 13 14.475 9.460 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 13 15.539 7.247 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 13 17.320 8.632 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.689 8.175 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.906 10.428 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.630 10.876 1.224 1.00 0.00 H new ATOM 185 N ASP A 14 15.082 8.892 3.041 1.00 0.00 N ATOM 186 CA ASP A 14 14.369 9.533 4.150 1.00 0.00 C ATOM 187 C ASP A 14 13.040 8.830 4.426 1.00 0.00 C ATOM 188 O ASP A 14 12.741 7.788 3.837 1.00 0.00 O ATOM 189 CB ASP A 14 14.137 11.027 3.861 1.00 0.00 C ATOM 190 CG ASP A 14 13.885 11.840 5.117 1.00 0.00 C ATOM 191 OD1 ASP A 14 12.709 12.075 5.457 1.00 0.00 O ATOM 192 OD2 ASP A 14 14.863 12.241 5.779 1.00 0.00 O1- ATOM 0 H ASP A 14 15.913 8.375 3.330 1.00 0.00 H new ATOM 0 HA ASP A 14 14.992 9.447 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.006 11.430 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.286 11.134 3.188 1.00 0.00 H new ATOM 197 N CYS A 15 12.261 9.404 5.344 1.00 0.00 N ATOM 198 CA CYS A 15 10.974 8.864 5.762 1.00 0.00 C ATOM 199 C CYS A 15 11.068 7.432 6.239 1.00 0.00 C ATOM 200 O CYS A 15 10.059 6.720 6.283 1.00 0.00 O ATOM 201 CB CYS A 15 9.975 8.914 4.641 1.00 0.00 C ATOM 202 SG CYS A 15 9.423 10.573 4.195 1.00 0.00 S ATOM 0 H CYS A 15 12.513 10.269 5.822 1.00 0.00 H new ATOM 0 HA CYS A 15 10.650 9.492 6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.413 8.443 3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.105 8.320 4.921 1.00 0.00 H new ATOM 0 HG CYS A 15 8.399 10.490 3.398 1.00 0.00 H new ATOM 208 N ARG A 16 12.264 7.031 6.639 1.00 0.00 N ATOM 209 CA ARG A 16 12.526 5.669 7.045 1.00 0.00 C ATOM 210 C ARG A 16 11.967 4.690 6.017 1.00 0.00 C ATOM 211 O ARG A 16 11.383 3.666 6.356 1.00 0.00 O ATOM 212 CB ARG A 16 11.944 5.407 8.438 1.00 0.00 C ATOM 213 CG ARG A 16 12.231 6.528 9.420 1.00 0.00 C ATOM 214 CD ARG A 16 11.203 7.650 9.314 1.00 0.00 C ATOM 215 NE ARG A 16 11.630 8.854 10.023 1.00 0.00 N ATOM 216 CZ ARG A 16 10.990 10.021 9.966 1.00 0.00 C ATOM 217 NH1 ARG A 16 9.861 10.134 9.277 1.00 0.00 N1+ ATOM 218 NH2 ARG A 16 11.468 11.072 10.616 1.00 0.00 N ATOM 0 H ARG A 16 13.077 7.644 6.690 1.00 0.00 H new ATOM 0 HA ARG A 16 13.604 5.518 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.866 5.271 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.354 4.476 8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.232 6.131 10.435 1.00 0.00 H new ATOM 0 HG3 ARG A 16 13.227 6.929 9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.034 7.889 8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.251 7.309 9.720 1.00 0.00 H new ATOM 0 HE ARG A 16 12.471 8.797 10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.479 9.325 8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.375 11.030 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.326 10.988 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.978 11.965 10.572 1.00 0.00 H new ATOM 232 N GLY A 17 12.150 5.019 4.749 1.00 0.00 N ATOM 233 CA GLY A 17 11.604 4.202 3.695 1.00 0.00 C ATOM 234 C GLY A 17 12.645 3.314 3.056 1.00 0.00 C ATOM 235 O GLY A 17 12.495 2.903 1.906 1.00 0.00 O ATOM 0 H GLY A 17 12.668 5.839 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.801 3.584 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.161 4.844 2.934 1.00 0.00 H new ATOM 239 N ASP A 18 13.695 2.990 3.801 1.00 0.00 N ATOM 240 CA ASP A 18 14.787 2.192 3.254 1.00 0.00 C ATOM 241 C ASP A 18 15.482 1.367 4.335 1.00 0.00 C ATOM 242 O ASP A 18 16.534 0.780 4.092 1.00 0.00 O ATOM 243 CB ASP A 18 15.809 3.095 2.556 1.00 0.00 C ATOM 244 CG ASP A 18 16.572 3.975 3.525 1.00 0.00 C ATOM 245 OD1 ASP A 18 17.725 3.635 3.859 1.00 0.00 O ATOM 246 OD2 ASP A 18 16.018 5.005 3.966 1.00 0.00 O1- ATOM 0 H ASP A 18 13.814 3.264 4.776 1.00 0.00 H new ATOM 0 HA ASP A 18 14.355 1.503 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.514 2.477 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.295 3.723 1.829 1.00 0.00 H new ATOM 251 N ILE A 19 14.891 1.302 5.522 1.00 0.00 N ATOM 252 CA ILE A 19 15.491 0.543 6.613 1.00 0.00 C ATOM 253 C ILE A 19 15.062 -0.917 6.538 1.00 0.00 C ATOM 254 O ILE A 19 15.812 -1.788 6.097 1.00 0.00 O ATOM 255 CB ILE A 19 15.130 1.093 8.007 1.00 0.00 C ATOM 256 CG1 ILE A 19 14.164 2.265 7.914 1.00 0.00 C ATOM 257 CG2 ILE A 19 16.387 1.500 8.755 1.00 0.00 C ATOM 258 CD1 ILE A 19 12.740 1.898 8.276 1.00 0.00 C ATOM 0 H ILE A 19 14.009 1.759 5.752 1.00 0.00 H new ATOM 0 HA ILE A 19 16.570 0.637 6.489 1.00 0.00 H new ATOM 0 HB ILE A 19 14.631 0.297 8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.506 3.062 8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.183 2.663 6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 19 16.117 1.887 9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.037 0.633 8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.911 2.273 8.193 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.104 2.779 8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.381 1.123 7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.709 1.528 9.301 1.00 0.00 H new ATOM 270 N GLY A 20 13.837 -1.154 6.970 1.00 0.00 N ATOM 271 CA GLY A 20 13.227 -2.462 6.882 1.00 0.00 C ATOM 272 C GLY A 20 11.736 -2.318 6.701 1.00 0.00 C ATOM 273 O GLY A 20 10.945 -3.047 7.298 1.00 0.00 O ATOM 0 H GLY A 20 13.239 -0.443 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.652 -3.017 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.440 -3.034 7.785 1.00 0.00 H new ATOM 277 N ARG A 21 11.377 -1.351 5.871 1.00 0.00 N ATOM 278 CA ARG A 21 9.987 -0.975 5.652 1.00 0.00 C ATOM 279 C ARG A 21 9.179 -2.088 5.003 1.00 0.00 C ATOM 280 O ARG A 21 9.372 -2.428 3.837 1.00 0.00 O ATOM 281 CB ARG A 21 9.891 0.307 4.819 1.00 0.00 C ATOM 282 CG ARG A 21 11.115 0.599 3.962 1.00 0.00 C ATOM 283 CD ARG A 21 11.327 -0.433 2.863 1.00 0.00 C ATOM 284 NE ARG A 21 12.340 -0.009 1.895 1.00 0.00 N ATOM 285 CZ ARG A 21 12.845 -0.799 0.945 1.00 0.00 C ATOM 286 NH1 ARG A 21 12.449 -2.063 0.846 1.00 0.00 N1+ ATOM 287 NH2 ARG A 21 13.741 -0.321 0.091 1.00 0.00 N ATOM 0 H ARG A 21 12.043 -0.802 5.328 1.00 0.00 H new ATOM 0 HA ARG A 21 9.555 -0.791 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.018 0.239 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.724 1.149 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.010 1.586 3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.999 0.631 4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.628 -1.381 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.384 -0.610 2.346 1.00 0.00 H new ATOM 0 HE ARG A 21 12.681 0.951 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.757 -2.433 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.837 -2.664 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.044 0.650 0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.127 -0.925 -0.635 1.00 0.00 H new ATOM 301 N THR A 22 8.279 -2.655 5.778 1.00 0.00 N ATOM 302 CA THR A 22 7.369 -3.668 5.287 1.00 0.00 C ATOM 303 C THR A 22 5.959 -3.098 5.199 1.00 0.00 C ATOM 304 O THR A 22 5.095 -3.633 4.505 1.00 0.00 O ATOM 305 CB THR A 22 7.379 -4.890 6.225 1.00 0.00 C ATOM 306 OG1 THR A 22 7.137 -4.468 7.573 1.00 0.00 O ATOM 307 CG2 THR A 22 8.712 -5.614 6.162 1.00 0.00 C ATOM 0 H THR A 22 8.158 -2.427 6.765 1.00 0.00 H new ATOM 0 HA THR A 22 7.693 -3.981 4.294 1.00 0.00 H new ATOM 0 HB THR A 22 6.594 -5.573 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.225 -4.118 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.692 -6.472 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.893 -5.955 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.509 -4.935 6.465 1.00 0.00 H new ATOM 315 N ASN A 23 5.750 -2.001 5.919 1.00 0.00 N ATOM 316 CA ASN A 23 4.460 -1.325 5.969 1.00 0.00 C ATOM 317 C ASN A 23 4.206 -0.589 4.666 1.00 0.00 C ATOM 318 O ASN A 23 5.014 0.239 4.245 1.00 0.00 O ATOM 319 CB ASN A 23 4.452 -0.324 7.121 1.00 0.00 C ATOM 320 CG ASN A 23 3.075 0.242 7.401 1.00 0.00 C ATOM 321 OD1 ASN A 23 2.058 -0.403 7.148 1.00 0.00 O ATOM 322 ND2 ASN A 23 3.030 1.454 7.933 1.00 0.00 N ATOM 0 H ASN A 23 6.472 -1.555 6.485 1.00 0.00 H new ATOM 0 HA ASN A 23 3.677 -2.068 6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.829 -0.810 8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.135 0.493 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.130 1.884 8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.895 1.958 8.128 1.00 0.00 H new ATOM 329 N LEU A 24 3.091 -0.883 4.032 1.00 0.00 N ATOM 330 CA LEU A 24 2.771 -0.280 2.756 1.00 0.00 C ATOM 331 C LEU A 24 1.482 0.514 2.827 1.00 0.00 C ATOM 332 O LEU A 24 0.408 -0.034 3.067 1.00 0.00 O ATOM 333 CB LEU A 24 2.660 -1.363 1.681 1.00 0.00 C ATOM 334 CG LEU A 24 3.639 -1.248 0.516 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.063 -1.068 1.010 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.547 -2.482 -0.347 1.00 0.00 C ATOM 0 H LEU A 24 2.390 -1.537 4.380 1.00 0.00 H new ATOM 0 HA LEU A 24 3.575 0.408 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.802 -2.334 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.646 -1.348 1.281 1.00 0.00 H new ATOM 0 HG LEU A 24 3.372 -0.369 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.737 -0.989 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.128 -0.160 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.348 -1.926 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.247 -2.398 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.794 -3.361 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.533 -2.580 -0.735 1.00 0.00 H new ATOM 348 N ILE A 25 1.604 1.810 2.623 1.00 0.00 N ATOM 349 CA ILE A 25 0.451 2.659 2.484 1.00 0.00 C ATOM 350 C ILE A 25 -0.060 2.507 1.066 1.00 0.00 C ATOM 351 O ILE A 25 0.710 2.559 0.105 1.00 0.00 O ATOM 352 CB ILE A 25 0.766 4.148 2.786 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.531 4.937 2.921 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.658 4.757 1.713 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.333 6.397 3.263 1.00 0.00 C ATOM 0 H ILE A 25 2.498 2.295 2.550 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.302 2.355 3.211 1.00 0.00 H new ATOM 0 HB ILE A 25 1.310 4.197 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.086 4.866 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.146 4.474 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.859 5.800 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.598 4.208 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.156 4.699 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.303 6.887 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.193 6.480 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.254 6.878 2.481 1.00 0.00 H new ATOM 367 N VAL A 26 -1.330 2.237 0.925 1.00 0.00 N ATOM 368 CA VAL A 26 -1.894 2.084 -0.389 1.00 0.00 C ATOM 369 C VAL A 26 -2.940 3.139 -0.611 1.00 0.00 C ATOM 370 O VAL A 26 -4.061 3.054 -0.112 1.00 0.00 O ATOM 371 CB VAL A 26 -2.487 0.697 -0.609 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.807 0.493 -2.082 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.512 -0.346 -0.128 1.00 0.00 C ATOM 0 H VAL A 26 -1.988 2.119 1.695 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.087 2.202 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.414 0.603 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.230 -0.501 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.527 1.245 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.894 0.589 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.934 -1.339 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.579 -0.257 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.316 -0.198 0.934 1.00 0.00 H new ATOM 383 N ASN A 27 -2.538 4.143 -1.335 1.00 0.00 N ATOM 384 CA ASN A 27 -3.378 5.271 -1.620 1.00 0.00 C ATOM 385 C ASN A 27 -4.166 4.993 -2.878 1.00 0.00 C ATOM 386 O ASN A 27 -3.897 4.008 -3.570 1.00 0.00 O ATOM 387 CB ASN A 27 -2.514 6.515 -1.796 1.00 0.00 C ATOM 388 CG ASN A 27 -1.737 6.855 -0.545 1.00 0.00 C ATOM 389 OD1 ASN A 27 -0.602 6.422 -0.364 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.349 7.622 0.330 1.00 0.00 N ATOM 0 H ASN A 27 -1.608 4.203 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.071 5.441 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.819 6.358 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.147 7.359 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.880 7.879 1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.292 7.960 0.140 1.00 0.00 H new ATOM 397 N TYR A 28 -5.139 5.845 -3.164 1.00 0.00 N ATOM 398 CA TYR A 28 -5.906 5.735 -4.402 1.00 0.00 C ATOM 399 C TYR A 28 -6.679 4.417 -4.458 1.00 0.00 C ATOM 400 O TYR A 28 -6.840 3.828 -5.520 1.00 0.00 O ATOM 401 CB TYR A 28 -4.948 5.858 -5.591 1.00 0.00 C ATOM 402 CG TYR A 28 -4.165 7.148 -5.598 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.859 7.169 -5.141 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.726 8.335 -6.044 1.00 0.00 C ATOM 405 CE1 TYR A 28 -2.122 8.333 -5.124 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.998 9.511 -6.035 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.695 9.504 -5.574 1.00 0.00 C ATOM 408 OH TYR A 28 -1.963 10.673 -5.564 1.00 0.00 O ATOM 0 H TYR A 28 -5.418 6.618 -2.560 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.640 6.539 -4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.252 5.019 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.518 5.782 -6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.408 6.253 -4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.745 8.341 -6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.105 8.328 -4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.445 10.429 -6.386 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.512 11.406 -5.914 1.00 0.00 H new ATOM 418 N LEU A 29 -7.159 3.966 -3.308 1.00 0.00 N ATOM 419 CA LEU A 29 -8.010 2.782 -3.244 1.00 0.00 C ATOM 420 C LEU A 29 -9.414 3.130 -3.714 1.00 0.00 C ATOM 421 O LEU A 29 -9.827 4.291 -3.636 1.00 0.00 O ATOM 422 CB LEU A 29 -8.085 2.239 -1.813 1.00 0.00 C ATOM 423 CG LEU A 29 -6.765 1.764 -1.216 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.004 1.041 0.101 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.036 0.864 -2.193 1.00 0.00 C ATOM 0 H LEU A 29 -6.974 4.401 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.577 2.019 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.494 3.018 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.790 1.408 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.141 2.636 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.051 0.709 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.487 1.718 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.646 0.177 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.096 0.534 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.655 -0.004 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.832 1.414 -3.112 1.00 0.00 H new ATOM 437 N PRO A 30 -10.167 2.139 -4.219 1.00 0.00 N ATOM 438 CA PRO A 30 -11.565 2.342 -4.570 1.00 0.00 C ATOM 439 C PRO A 30 -12.358 2.815 -3.364 1.00 0.00 C ATOM 440 O PRO A 30 -12.194 2.297 -2.255 1.00 0.00 O ATOM 441 CB PRO A 30 -12.053 0.967 -5.016 1.00 0.00 C ATOM 442 CG PRO A 30 -10.822 0.191 -5.335 1.00 0.00 C ATOM 443 CD PRO A 30 -9.715 0.764 -4.494 1.00 0.00 C ATOM 0 HA PRO A 30 -11.688 3.101 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.630 0.481 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.704 1.045 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.965 -0.867 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.581 0.268 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.575 0.196 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.762 0.753 -5.023 1.00 0.00 H new ATOM 451 N GLN A 31 -13.222 3.786 -3.589 1.00 0.00 N ATOM 452 CA GLN A 31 -13.935 4.453 -2.512 1.00 0.00 C ATOM 453 C GLN A 31 -14.989 3.544 -1.877 1.00 0.00 C ATOM 454 O GLN A 31 -15.601 3.903 -0.870 1.00 0.00 O ATOM 455 CB GLN A 31 -14.581 5.724 -3.055 1.00 0.00 C ATOM 456 CG GLN A 31 -13.571 6.722 -3.606 1.00 0.00 C ATOM 457 CD GLN A 31 -12.727 7.356 -2.519 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.568 6.778 -2.263 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.106 8.369 -1.933 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.450 4.135 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.220 4.706 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.286 5.458 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.156 6.200 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.919 6.218 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.099 7.503 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.010 8.783 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.517 8.795 -1.218 1.00 0.00 H new ATOM 468 N ASN A 32 -15.202 2.376 -2.472 1.00 0.00 N ATOM 469 CA ASN A 32 -16.170 1.417 -1.964 1.00 0.00 C ATOM 470 C ASN A 32 -15.516 0.073 -1.628 1.00 0.00 C ATOM 471 O ASN A 32 -16.210 -0.915 -1.386 1.00 0.00 O ATOM 472 CB ASN A 32 -17.276 1.196 -2.997 1.00 0.00 C ATOM 473 CG ASN A 32 -16.775 0.519 -4.264 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.630 0.708 -4.684 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.628 -0.281 -4.880 1.00 0.00 N ATOM 0 H ASN A 32 -14.712 2.071 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.591 1.830 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.064 0.588 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.722 2.156 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.348 -0.766 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.567 -0.413 -4.503 1.00 0.00 H new ATOM 482 N MET A 33 -14.186 0.025 -1.621 1.00 0.00 N ATOM 483 CA MET A 33 -13.474 -1.233 -1.404 1.00 0.00 C ATOM 484 C MET A 33 -13.399 -1.604 0.079 1.00 0.00 C ATOM 485 O MET A 33 -13.756 -0.807 0.945 1.00 0.00 O ATOM 486 CB MET A 33 -12.077 -1.137 -2.000 1.00 0.00 C ATOM 487 CG MET A 33 -11.413 -2.481 -2.148 1.00 0.00 C ATOM 488 SD MET A 33 -9.938 -2.428 -3.163 1.00 0.00 S ATOM 489 CE MET A 33 -8.847 -1.636 -2.005 1.00 0.00 C ATOM 0 H MET A 33 -13.583 0.835 -1.762 1.00 0.00 H new ATOM 0 HA MET A 33 -14.032 -2.025 -1.903 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.136 -0.656 -2.976 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.460 -0.499 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.154 -2.862 -1.160 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.122 -3.184 -2.585 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.502 -0.689 -2.419 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.379 -1.452 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.990 -2.281 -1.813 1.00 0.00 H new ATOM 499 N THR A 34 -12.943 -2.828 0.353 1.00 0.00 N ATOM 500 CA THR A 34 -12.852 -3.349 1.710 1.00 0.00 C ATOM 501 C THR A 34 -11.405 -3.673 2.070 1.00 0.00 C ATOM 502 O THR A 34 -10.538 -3.696 1.191 1.00 0.00 O ATOM 503 CB THR A 34 -13.682 -4.639 1.860 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.008 -5.729 1.218 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.051 -4.470 1.229 1.00 0.00 C ATOM 0 H THR A 34 -12.627 -3.483 -0.363 1.00 0.00 H new ATOM 0 HA THR A 34 -13.239 -2.578 2.377 1.00 0.00 H new ATOM 0 HB THR A 34 -13.800 -4.847 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.539 -6.546 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.622 -5.391 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.579 -3.652 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.938 -4.245 0.169 1.00 0.00 H new ATOM 513 N GLN A 35 -11.143 -3.919 3.355 1.00 0.00 N ATOM 514 CA GLN A 35 -9.833 -4.402 3.787 1.00 0.00 C ATOM 515 C GLN A 35 -9.478 -5.665 3.041 1.00 0.00 C ATOM 516 O GLN A 35 -8.380 -5.799 2.535 1.00 0.00 O ATOM 517 CB GLN A 35 -9.789 -4.729 5.282 1.00 0.00 C ATOM 518 CG GLN A 35 -10.067 -3.561 6.205 1.00 0.00 C ATOM 519 CD GLN A 35 -11.521 -3.117 6.202 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.433 -4.053 5.988 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.824 -1.943 6.400 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.817 -3.792 4.110 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.127 -3.598 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.516 -5.515 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.806 -5.134 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.781 -3.835 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.438 -2.720 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.095 -1.248 6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.805 -1.663 6.403 1.00 0.00 H new ATOM 530 N ASP A 36 -10.436 -6.575 2.969 1.00 0.00 N ATOM 531 CA ASP A 36 -10.221 -7.900 2.396 1.00 0.00 C ATOM 532 C ASP A 36 -9.757 -7.809 0.945 1.00 0.00 C ATOM 533 O ASP A 36 -8.973 -8.636 0.489 1.00 0.00 O ATOM 534 CB ASP A 36 -11.518 -8.708 2.493 1.00 0.00 C ATOM 535 CG ASP A 36 -11.342 -10.163 2.104 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.933 -10.968 2.969 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.631 -10.517 0.942 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.386 -6.419 3.306 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.434 -8.401 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.897 -8.654 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.271 -8.254 1.849 1.00 0.00 H new ATOM 542 N GLU A 37 -10.216 -6.788 0.230 1.00 0.00 N ATOM 543 CA GLU A 37 -9.808 -6.582 -1.153 1.00 0.00 C ATOM 544 C GLU A 37 -8.408 -5.987 -1.190 1.00 0.00 C ATOM 545 O GLU A 37 -7.536 -6.457 -1.923 1.00 0.00 O ATOM 546 CB GLU A 37 -10.791 -5.651 -1.857 1.00 0.00 C ATOM 547 CG GLU A 37 -12.243 -6.097 -1.750 1.00 0.00 C ATOM 548 CD GLU A 37 -12.525 -7.340 -2.564 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.907 -8.371 -1.972 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.346 -7.306 -3.800 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.870 -6.091 0.586 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.803 -7.541 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.696 -4.651 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.519 -5.580 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.486 -6.288 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.894 -5.290 -2.086 1.00 0.00 H new ATOM 557 N LEU A 38 -8.207 -4.957 -0.372 1.00 0.00 N ATOM 558 CA LEU A 38 -6.903 -4.326 -0.202 1.00 0.00 C ATOM 559 C LEU A 38 -5.884 -5.377 0.249 1.00 0.00 C ATOM 560 O LEU A 38 -4.735 -5.389 -0.179 1.00 0.00 O ATOM 561 CB LEU A 38 -7.049 -3.183 0.833 1.00 0.00 C ATOM 562 CG LEU A 38 -5.806 -2.339 1.130 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.022 -2.928 2.284 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.938 -2.216 -0.109 1.00 0.00 C ATOM 0 H LEU A 38 -8.945 -4.536 0.192 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.545 -3.904 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.836 -2.513 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.392 -3.620 1.771 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.130 -1.339 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.143 -2.313 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.650 -2.955 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.708 -3.941 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.059 -1.613 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.623 -3.208 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.508 -1.738 -0.906 1.00 0.00 H new ATOM 576 N ARG A 39 -6.347 -6.273 1.092 1.00 0.00 N ATOM 577 CA ARG A 39 -5.527 -7.322 1.657 1.00 0.00 C ATOM 578 C ARG A 39 -5.257 -8.408 0.615 1.00 0.00 C ATOM 579 O ARG A 39 -4.110 -8.783 0.404 1.00 0.00 O ATOM 580 CB ARG A 39 -6.253 -7.882 2.890 1.00 0.00 C ATOM 581 CG ARG A 39 -5.389 -8.655 3.872 1.00 0.00 C ATOM 582 CD ARG A 39 -5.081 -10.054 3.385 1.00 0.00 C ATOM 583 NE ARG A 39 -4.514 -10.882 4.452 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.496 -12.214 4.438 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.984 -12.884 3.401 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.982 -12.879 5.466 1.00 0.00 N ATOM 0 H ARG A 39 -7.316 -6.294 1.409 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.557 -6.929 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.720 -7.053 3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.056 -8.535 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.456 -8.115 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.897 -8.711 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.993 -10.518 3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.381 -10.004 2.551 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.107 -10.408 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.377 -12.379 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.966 -13.904 3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.602 -12.370 6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.967 -13.899 5.458 1.00 0.00 H new ATOM 600 N SER A 40 -6.310 -8.884 -0.055 1.00 0.00 N ATOM 601 CA SER A 40 -6.189 -9.984 -1.016 1.00 0.00 C ATOM 602 C SER A 40 -5.288 -9.609 -2.191 1.00 0.00 C ATOM 603 O SER A 40 -4.437 -10.393 -2.605 1.00 0.00 O ATOM 604 CB SER A 40 -7.570 -10.396 -1.534 1.00 0.00 C ATOM 605 OG SER A 40 -7.479 -11.496 -2.425 1.00 0.00 O ATOM 0 H SER A 40 -7.258 -8.524 0.051 1.00 0.00 H new ATOM 0 HA SER A 40 -5.733 -10.825 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.213 -10.658 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.037 -9.552 -2.041 1.00 0.00 H new ATOM 0 HG SER A 40 -8.375 -11.738 -2.738 1.00 0.00 H new ATOM 611 N LEU A 41 -5.478 -8.408 -2.718 1.00 0.00 N ATOM 612 CA LEU A 41 -4.688 -7.918 -3.835 1.00 0.00 C ATOM 613 C LEU A 41 -3.215 -7.868 -3.466 1.00 0.00 C ATOM 614 O LEU A 41 -2.356 -8.159 -4.286 1.00 0.00 O ATOM 615 CB LEU A 41 -5.230 -6.545 -4.234 1.00 0.00 C ATOM 616 CG LEU A 41 -4.759 -5.966 -5.572 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.614 -4.998 -5.362 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.355 -7.073 -6.541 1.00 0.00 C ATOM 0 H LEU A 41 -6.181 -7.749 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.769 -8.592 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.318 -6.605 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.966 -5.837 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.595 -5.423 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.294 -4.598 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.942 -4.180 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.780 -5.518 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.025 -6.631 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.541 -7.656 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.209 -7.724 -6.726 1.00 0.00 H new ATOM 630 N PHE A 42 -2.921 -7.532 -2.230 1.00 0.00 N ATOM 631 CA PHE A 42 -1.547 -7.522 -1.770 1.00 0.00 C ATOM 632 C PHE A 42 -1.089 -8.916 -1.382 1.00 0.00 C ATOM 633 O PHE A 42 0.103 -9.218 -1.403 1.00 0.00 O ATOM 634 CB PHE A 42 -1.371 -6.514 -0.640 1.00 0.00 C ATOM 635 CG PHE A 42 -1.313 -5.116 -1.174 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.130 -4.395 -1.149 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.434 -4.541 -1.751 1.00 0.00 C ATOM 638 CE1 PHE A 42 -0.073 -3.130 -1.688 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.377 -3.277 -2.283 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.196 -2.578 -2.254 1.00 0.00 C ATOM 0 H PHE A 42 -3.609 -7.263 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.905 -7.203 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.198 -6.604 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.457 -6.735 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.753 -4.829 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.362 -5.093 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.852 -2.573 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.258 -2.834 -2.723 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.150 -1.586 -2.679 1.00 0.00 H new ATOM 650 N SER A 43 -2.038 -9.779 -1.057 1.00 0.00 N ATOM 651 CA SER A 43 -1.750 -11.168 -0.812 1.00 0.00 C ATOM 652 C SER A 43 -1.415 -11.864 -2.134 1.00 0.00 C ATOM 653 O SER A 43 -0.893 -12.978 -2.150 1.00 0.00 O ATOM 654 CB SER A 43 -2.955 -11.816 -0.139 1.00 0.00 C ATOM 655 OG SER A 43 -3.280 -11.148 1.067 1.00 0.00 O ATOM 0 H SER A 43 -3.022 -9.530 -0.958 1.00 0.00 H new ATOM 0 HA SER A 43 -0.889 -11.263 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.810 -11.792 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.741 -12.865 0.068 1.00 0.00 H new ATOM 0 HG SER A 43 -3.568 -10.233 0.867 1.00 0.00 H new ATOM 661 N SER A 44 -1.716 -11.191 -3.244 1.00 0.00 N ATOM 662 CA SER A 44 -1.361 -11.699 -4.558 1.00 0.00 C ATOM 663 C SER A 44 0.153 -11.645 -4.720 1.00 0.00 C ATOM 664 O SER A 44 0.777 -12.578 -5.234 1.00 0.00 O ATOM 665 CB SER A 44 -2.063 -10.891 -5.664 1.00 0.00 C ATOM 666 OG SER A 44 -1.333 -9.720 -6.005 1.00 0.00 O ATOM 0 H SER A 44 -2.204 -10.295 -3.254 1.00 0.00 H new ATOM 0 HA SER A 44 -1.694 -12.733 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.184 -11.515 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.063 -10.612 -5.332 1.00 0.00 H new ATOM 0 HG SER A 44 -1.288 -9.125 -5.228 1.00 0.00 H new ATOM 672 N ILE A 45 0.732 -10.544 -4.249 1.00 0.00 N ATOM 673 CA ILE A 45 2.181 -10.378 -4.225 1.00 0.00 C ATOM 674 C ILE A 45 2.843 -11.461 -3.386 1.00 0.00 C ATOM 675 O ILE A 45 3.789 -12.112 -3.830 1.00 0.00 O ATOM 676 CB ILE A 45 2.565 -8.984 -3.674 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.251 -7.918 -4.715 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.041 -8.921 -3.283 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.258 -7.870 -5.827 1.00 0.00 C ATOM 0 H ILE A 45 0.214 -9.748 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 45 2.538 -10.465 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 45 1.978 -8.801 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.263 -8.108 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.209 -6.944 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.274 -7.927 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.245 -9.664 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.658 -9.127 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.980 -7.091 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.244 -7.651 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.283 -8.833 -6.337 1.00 0.00 H new ATOM 691 N GLY A 46 2.314 -11.678 -2.197 1.00 0.00 N ATOM 692 CA GLY A 46 2.943 -12.587 -1.267 1.00 0.00 C ATOM 693 C GLY A 46 2.173 -12.694 0.024 1.00 0.00 C ATOM 694 O GLY A 46 0.949 -12.820 0.015 1.00 0.00 O ATOM 0 H GLY A 46 1.458 -11.240 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.025 -13.574 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.957 -12.247 -1.057 1.00 0.00 H new ATOM 698 N GLU A 47 2.877 -12.631 1.140 1.00 0.00 N ATOM 699 CA GLU A 47 2.234 -12.753 2.432 1.00 0.00 C ATOM 700 C GLU A 47 2.096 -11.416 3.117 1.00 0.00 C ATOM 701 O GLU A 47 3.076 -10.726 3.412 1.00 0.00 O ATOM 702 CB GLU A 47 2.975 -13.738 3.323 1.00 0.00 C ATOM 703 CG GLU A 47 2.582 -15.171 3.056 1.00 0.00 C ATOM 704 CD GLU A 47 3.514 -16.162 3.710 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.496 -16.576 3.060 1.00 0.00 O ATOM 706 OE2 GLU A 47 3.271 -16.534 4.876 1.00 0.00 O1- ATOM 0 H GLU A 47 3.887 -12.497 1.176 1.00 0.00 H new ATOM 0 HA GLU A 47 1.230 -13.139 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.048 -13.625 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.775 -13.499 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.568 -15.339 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.569 -15.346 1.980 1.00 0.00 H new ATOM 713 N VAL A 48 0.857 -11.075 3.370 1.00 0.00 N ATOM 714 CA VAL A 48 0.514 -9.834 4.022 1.00 0.00 C ATOM 715 C VAL A 48 0.393 -10.047 5.502 1.00 0.00 C ATOM 716 O VAL A 48 -0.397 -10.861 5.979 1.00 0.00 O ATOM 717 CB VAL A 48 -0.792 -9.251 3.454 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.243 -8.033 4.243 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.611 -8.918 1.987 1.00 0.00 C ATOM 0 H VAL A 48 0.053 -11.654 3.128 1.00 0.00 H new ATOM 0 HA VAL A 48 1.311 -9.116 3.831 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.577 -10.002 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.168 -7.645 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.413 -8.315 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.472 -7.264 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.539 -8.506 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.188 -8.185 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.352 -9.823 1.438 1.00 0.00 H new ATOM 729 N GLU A 49 1.220 -9.313 6.211 1.00 0.00 N ATOM 730 CA GLU A 49 1.270 -9.368 7.635 1.00 0.00 C ATOM 731 C GLU A 49 -0.036 -8.832 8.215 1.00 0.00 C ATOM 732 O GLU A 49 -0.675 -9.481 9.042 1.00 0.00 O ATOM 733 CB GLU A 49 2.455 -8.569 8.102 1.00 0.00 C ATOM 734 CG GLU A 49 2.828 -8.846 9.535 1.00 0.00 C ATOM 735 CD GLU A 49 1.953 -8.130 10.543 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.301 -8.816 11.358 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.896 -6.883 10.515 1.00 0.00 O1- ATOM 0 H GLU A 49 1.882 -8.655 5.799 1.00 0.00 H new ATOM 0 HA GLU A 49 1.385 -10.396 7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.309 -8.789 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.237 -7.507 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.770 -9.919 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.865 -8.552 9.694 1.00 0.00 H new ATOM 744 N SER A 50 -0.439 -7.654 7.751 1.00 0.00 N ATOM 745 CA SER A 50 -1.689 -7.039 8.187 1.00 0.00 C ATOM 746 C SER A 50 -2.118 -5.944 7.213 1.00 0.00 C ATOM 747 O SER A 50 -1.324 -5.074 6.871 1.00 0.00 O ATOM 748 CB SER A 50 -1.528 -6.468 9.602 1.00 0.00 C ATOM 749 OG SER A 50 -0.350 -5.680 9.713 1.00 0.00 O ATOM 0 H SER A 50 0.084 -7.103 7.070 1.00 0.00 H new ATOM 0 HA SER A 50 -2.467 -7.803 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.398 -5.861 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.491 -7.284 10.323 1.00 0.00 H new ATOM 0 HG SER A 50 0.434 -6.267 9.747 1.00 0.00 H new ATOM 755 N ALA A 51 -3.366 -5.982 6.757 1.00 0.00 N ATOM 756 CA ALA A 51 -3.845 -4.981 5.812 1.00 0.00 C ATOM 757 C ALA A 51 -5.063 -4.243 6.342 1.00 0.00 C ATOM 758 O ALA A 51 -6.081 -4.849 6.675 1.00 0.00 O ATOM 759 CB ALA A 51 -4.139 -5.601 4.456 1.00 0.00 C ATOM 0 H ALA A 51 -4.055 -6.685 7.022 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.046 -4.251 5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.494 -4.830 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.229 -6.049 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.904 -6.369 4.565 1.00 0.00 H new ATOM 765 N LYS A 52 -4.940 -2.931 6.417 1.00 0.00 N ATOM 766 CA LYS A 52 -5.979 -2.075 6.940 1.00 0.00 C ATOM 767 C LYS A 52 -6.569 -1.215 5.827 1.00 0.00 C ATOM 768 O LYS A 52 -5.844 -0.738 4.955 1.00 0.00 O ATOM 769 CB LYS A 52 -5.366 -1.180 8.012 1.00 0.00 C ATOM 770 CG LYS A 52 -6.343 -0.253 8.694 1.00 0.00 C ATOM 771 CD LYS A 52 -5.600 0.906 9.322 1.00 0.00 C ATOM 772 CE LYS A 52 -4.736 0.463 10.490 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.545 -0.044 11.628 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.106 -2.428 6.113 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.779 -2.683 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.896 -1.810 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.575 -0.583 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.070 0.118 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.900 -0.796 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.974 1.386 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.316 1.653 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.051 -0.317 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.125 1.301 10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.943 -0.126 12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.324 0.617 11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.935 -0.978 11.388 1.00 0.00 H new ATOM 787 N LEU A 53 -7.874 -1.025 5.865 1.00 0.00 N ATOM 788 CA LEU A 53 -8.554 -0.142 4.935 1.00 0.00 C ATOM 789 C LEU A 53 -9.138 1.020 5.714 1.00 0.00 C ATOM 790 O LEU A 53 -9.649 0.836 6.819 1.00 0.00 O ATOM 791 CB LEU A 53 -9.664 -0.890 4.199 1.00 0.00 C ATOM 792 CG LEU A 53 -10.521 -0.044 3.263 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.122 -0.266 1.815 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.985 -0.371 3.469 1.00 0.00 C ATOM 0 H LEU A 53 -8.492 -1.477 6.539 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.844 0.224 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.213 -1.696 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.316 -1.355 4.938 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.358 1.008 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.747 0.348 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.077 0.011 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.255 -1.317 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.592 0.237 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.155 -1.426 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.263 -0.159 4.501 1.00 0.00 H new ATOM 806 N ILE A 54 -9.052 2.210 5.158 1.00 0.00 N ATOM 807 CA ILE A 54 -9.489 3.394 5.874 1.00 0.00 C ATOM 808 C ILE A 54 -10.812 3.894 5.329 1.00 0.00 C ATOM 809 O ILE A 54 -10.923 4.220 4.146 1.00 0.00 O ATOM 810 CB ILE A 54 -8.454 4.527 5.786 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.066 4.027 6.203 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.880 5.707 6.646 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.013 3.411 7.584 1.00 0.00 C ATOM 0 H ILE A 54 -8.687 2.385 4.222 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.606 3.106 6.919 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.398 4.860 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.725 3.290 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.366 4.861 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.135 6.499 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.843 6.081 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.967 5.388 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.995 3.085 7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.320 4.150 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.685 2.554 7.626 1.00 0.00 H new ATOM 825 N ARG A 55 -11.813 3.954 6.188 1.00 0.00 N ATOM 826 CA ARG A 55 -13.124 4.431 5.790 1.00 0.00 C ATOM 827 C ARG A 55 -13.550 5.591 6.674 1.00 0.00 C ATOM 828 O ARG A 55 -12.966 5.822 7.735 1.00 0.00 O ATOM 829 CB ARG A 55 -14.160 3.309 5.860 1.00 0.00 C ATOM 830 CG ARG A 55 -13.670 1.994 5.285 1.00 0.00 C ATOM 831 CD ARG A 55 -14.797 1.209 4.633 1.00 0.00 C ATOM 832 NE ARG A 55 -15.804 0.751 5.587 1.00 0.00 N ATOM 833 CZ ARG A 55 -16.743 -0.147 5.287 1.00 0.00 C ATOM 834 NH1 ARG A 55 -16.795 -0.668 4.068 1.00 0.00 N1+ ATOM 835 NH2 ARG A 55 -17.629 -0.518 6.199 1.00 0.00 N ATOM 0 H ARG A 55 -11.743 3.678 7.167 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.062 4.774 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.448 3.156 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.056 3.619 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.889 2.187 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.221 1.395 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.277 1.833 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.378 0.347 4.114 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.788 1.138 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.117 -0.382 3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.513 -1.355 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.595 -0.116 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.345 -1.205 5.964 1.00 0.00 H new ATOM 849 N ASP A 56 -14.557 6.327 6.229 1.00 0.00 N ATOM 850 CA ASP A 56 -15.037 7.479 6.976 1.00 0.00 C ATOM 851 C ASP A 56 -15.829 7.037 8.193 1.00 0.00 C ATOM 852 O ASP A 56 -16.625 6.100 8.135 1.00 0.00 O ATOM 853 CB ASP A 56 -15.907 8.378 6.108 1.00 0.00 C ATOM 854 CG ASP A 56 -16.194 9.710 6.760 1.00 0.00 C ATOM 855 OD1 ASP A 56 -17.296 9.865 7.321 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.326 10.606 6.731 1.00 0.00 O1- ATOM 0 H ASP A 56 -15.056 6.148 5.358 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.162 8.044 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.411 8.545 5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.848 7.871 5.895 1.00 0.00 H new ATOM 861 N LYS A 57 -15.601 7.747 9.280 1.00 0.00 N ATOM 862 CA LYS A 57 -16.234 7.510 10.565 1.00 0.00 C ATOM 863 C LYS A 57 -17.747 7.669 10.515 1.00 0.00 C ATOM 864 O LYS A 57 -18.455 7.266 11.436 1.00 0.00 O ATOM 865 CB LYS A 57 -15.625 8.483 11.570 1.00 0.00 C ATOM 866 CG LYS A 57 -16.073 9.932 11.442 1.00 0.00 C ATOM 867 CD LYS A 57 -15.915 10.487 10.029 1.00 0.00 C ATOM 868 CE LYS A 57 -16.084 11.995 9.983 1.00 0.00 C ATOM 869 NZ LYS A 57 -15.572 12.561 8.707 1.00 0.00 N1+ ATOM 0 H LYS A 57 -14.949 8.531 9.295 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.053 6.477 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.865 8.136 12.575 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.540 8.447 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.118 10.010 11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.496 10.546 12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.930 10.222 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.650 10.021 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.138 12.248 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.555 12.447 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.222 13.299 8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.631 12.974 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.505 11.806 7.995 1.00 0.00 H new ATOM 883 N VAL A 58 -18.230 8.244 9.435 1.00 0.00 N ATOM 884 CA VAL A 58 -19.626 8.608 9.317 1.00 0.00 C ATOM 885 C VAL A 58 -20.215 8.127 8.006 1.00 0.00 C ATOM 886 O VAL A 58 -21.223 7.417 7.979 1.00 0.00 O ATOM 887 CB VAL A 58 -19.753 10.133 9.424 1.00 0.00 C ATOM 888 CG1 VAL A 58 -21.108 10.620 8.964 1.00 0.00 C ATOM 889 CG2 VAL A 58 -19.478 10.546 10.847 1.00 0.00 C ATOM 0 H VAL A 58 -17.668 8.472 8.615 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.182 8.128 10.122 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.020 10.595 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.155 11.705 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.262 10.337 7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.885 10.169 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -19.566 11.629 10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.199 10.069 11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.470 10.240 11.126 1.00 0.00 H new ATOM 899 N ALA A 59 -19.568 8.513 6.925 1.00 0.00 N ATOM 900 CA ALA A 59 -20.034 8.177 5.590 1.00 0.00 C ATOM 901 C ALA A 59 -19.825 6.701 5.278 1.00 0.00 C ATOM 902 O ALA A 59 -20.288 6.193 4.257 1.00 0.00 O ATOM 903 CB ALA A 59 -19.350 9.061 4.561 1.00 0.00 C ATOM 0 H ALA A 59 -18.710 9.065 6.943 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.107 8.361 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -19.706 8.801 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -19.581 10.106 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -18.272 8.911 4.612 1.00 0.00 H new ATOM 909 N GLY A 60 -19.121 6.034 6.183 1.00 0.00 N ATOM 910 CA GLY A 60 -18.938 4.590 6.122 1.00 0.00 C ATOM 911 C GLY A 60 -18.380 4.090 4.803 1.00 0.00 C ATOM 912 O GLY A 60 -18.654 2.961 4.406 1.00 0.00 O ATOM 0 H GLY A 60 -18.662 6.478 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.268 4.285 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.897 4.105 6.305 1.00 0.00 H new ATOM 916 N HIS A 61 -17.593 4.913 4.129 1.00 0.00 N ATOM 917 CA HIS A 61 -17.039 4.522 2.837 1.00 0.00 C ATOM 918 C HIS A 61 -15.523 4.632 2.866 1.00 0.00 C ATOM 919 O HIS A 61 -14.982 5.484 3.574 1.00 0.00 O ATOM 920 CB HIS A 61 -17.631 5.383 1.703 1.00 0.00 C ATOM 921 CG HIS A 61 -16.867 6.637 1.381 1.00 0.00 C ATOM 922 ND1 HIS A 61 -16.765 7.816 2.039 1.00 0.00 N flip ATOM 923 CD2 HIS A 61 -16.097 6.767 0.246 1.00 0.00 C flip ATOM 924 CE1 HIS A 61 -15.944 8.625 1.297 1.00 0.00 C flip ATOM 925 NE2 HIS A 61 -15.554 7.971 0.221 1.00 0.00 N flip ATOM 0 H HIS A 61 -17.324 5.844 4.447 1.00 0.00 H new ATOM 0 HA HIS A 61 -17.309 3.484 2.642 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -17.693 4.774 0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -18.651 5.658 1.973 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -17.215 8.057 2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -15.959 6.004 -0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.662 9.636 1.553 1.00 0.00 H new ATOM 934 N SER A 62 -14.852 3.758 2.124 1.00 0.00 N ATOM 935 CA SER A 62 -13.404 3.794 2.021 1.00 0.00 C ATOM 936 C SER A 62 -12.950 5.152 1.508 1.00 0.00 C ATOM 937 O SER A 62 -13.429 5.630 0.481 1.00 0.00 O ATOM 938 CB SER A 62 -12.906 2.688 1.083 1.00 0.00 C ATOM 939 OG SER A 62 -11.492 2.695 0.976 1.00 0.00 O ATOM 0 H SER A 62 -15.293 3.014 1.584 1.00 0.00 H new ATOM 0 HA SER A 62 -12.982 3.628 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.239 1.718 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.347 2.821 0.095 1.00 0.00 H new ATOM 0 HG SER A 62 -11.234 2.584 0.037 1.00 0.00 H new ATOM 945 N LEU A 63 -12.029 5.768 2.230 1.00 0.00 N ATOM 946 CA LEU A 63 -11.560 7.101 1.892 1.00 0.00 C ATOM 947 C LEU A 63 -10.550 7.043 0.759 1.00 0.00 C ATOM 948 O LEU A 63 -10.171 8.066 0.194 1.00 0.00 O ATOM 949 CB LEU A 63 -10.955 7.776 3.120 1.00 0.00 C ATOM 950 CG LEU A 63 -11.929 7.966 4.282 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.254 8.682 5.439 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.164 8.727 3.823 1.00 0.00 C ATOM 0 H LEU A 63 -11.590 5.364 3.057 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.411 7.693 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.108 7.183 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.563 8.750 2.828 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.243 6.982 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.966 8.806 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.404 8.093 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.907 9.661 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.847 8.853 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.869 9.706 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.663 8.168 3.031 1.00 0.00 H new ATOM 964 N GLY A 64 -10.122 5.838 0.423 1.00 0.00 N ATOM 965 CA GLY A 64 -9.260 5.663 -0.721 1.00 0.00 C ATOM 966 C GLY A 64 -7.812 5.470 -0.355 1.00 0.00 C ATOM 967 O GLY A 64 -6.929 5.720 -1.166 1.00 0.00 O ATOM 0 H GLY A 64 -10.356 4.980 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.600 4.801 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.350 6.533 -1.371 1.00 0.00 H new ATOM 971 N TYR A 65 -7.557 5.032 0.859 1.00 0.00 N ATOM 972 CA TYR A 65 -6.202 4.687 1.256 1.00 0.00 C ATOM 973 C TYR A 65 -6.226 3.673 2.387 1.00 0.00 C ATOM 974 O TYR A 65 -7.243 3.508 3.061 1.00 0.00 O ATOM 975 CB TYR A 65 -5.393 5.935 1.643 1.00 0.00 C ATOM 976 CG TYR A 65 -5.814 6.605 2.922 1.00 0.00 C ATOM 977 CD1 TYR A 65 -5.099 6.396 4.088 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.904 7.459 2.960 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.457 7.017 5.261 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.274 8.083 4.130 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.548 7.861 5.282 1.00 0.00 C ATOM 982 OH TYR A 65 -6.910 8.487 6.457 1.00 0.00 O ATOM 0 H TYR A 65 -8.261 4.906 1.586 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.703 4.235 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.343 5.655 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.465 6.660 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.246 5.734 4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.472 7.638 2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.887 6.845 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.129 8.743 4.146 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.698 9.047 6.300 1.00 0.00 H new ATOM 992 N GLY A 66 -5.118 2.979 2.566 1.00 0.00 N ATOM 993 CA GLY A 66 -5.028 1.967 3.593 1.00 0.00 C ATOM 994 C GLY A 66 -3.595 1.620 3.913 1.00 0.00 C ATOM 995 O GLY A 66 -2.673 2.250 3.394 1.00 0.00 O ATOM 0 H GLY A 66 -4.270 3.100 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.527 2.320 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.555 1.070 3.267 1.00 0.00 H new ATOM 999 N PHE A 67 -3.405 0.619 4.757 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.075 0.246 5.213 1.00 0.00 C ATOM 1001 C PHE A 67 -1.929 -1.271 5.249 1.00 0.00 C ATOM 1002 O PHE A 67 -2.501 -1.931 6.114 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.818 0.810 6.619 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.867 2.310 6.709 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.724 3.067 6.520 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.058 2.962 6.996 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.765 4.446 6.613 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.104 4.339 7.089 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.957 5.082 6.897 1.00 0.00 C ATOM 0 H PHE A 67 -4.158 0.048 5.142 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.348 0.661 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.556 0.393 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.840 0.470 6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.211 2.575 6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.959 2.386 7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.134 5.025 6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.037 4.834 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.992 6.159 6.969 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.165 -1.822 4.323 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.885 -3.241 4.325 1.00 0.00 C ATOM 1021 C VAL A 68 0.587 -3.501 4.607 1.00 0.00 C ATOM 1022 O VAL A 68 1.468 -3.169 3.824 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.362 -3.945 3.024 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.602 -2.943 1.924 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.401 -5.035 2.551 1.00 0.00 C ATOM 0 H VAL A 68 -0.728 -1.305 3.560 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.464 -3.684 5.135 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.304 -4.436 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.935 -3.462 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.368 -2.234 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.677 -2.407 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.787 -5.490 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.577 -4.596 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.306 -5.797 3.325 1.00 0.00 H new ATOM 1035 N ASN A 69 0.826 -4.049 5.777 1.00 0.00 N ATOM 1036 CA ASN A 69 2.148 -4.453 6.192 1.00 0.00 C ATOM 1037 C ASN A 69 2.456 -5.815 5.610 1.00 0.00 C ATOM 1038 O ASN A 69 1.629 -6.722 5.687 1.00 0.00 O ATOM 1039 CB ASN A 69 2.212 -4.533 7.711 1.00 0.00 C ATOM 1040 CG ASN A 69 3.627 -4.685 8.224 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.564 -4.133 7.667 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.788 -5.455 9.278 1.00 0.00 N ATOM 0 H ASN A 69 0.101 -4.228 6.472 1.00 0.00 H new ATOM 0 HA ASN A 69 2.876 -3.722 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.769 -3.633 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.612 -5.377 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.721 -5.609 9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.979 -5.898 9.714 1.00 0.00 H new ATOM 1049 N TYR A 70 3.614 -5.958 5.006 1.00 0.00 N ATOM 1050 CA TYR A 70 4.044 -7.249 4.523 1.00 0.00 C ATOM 1051 C TYR A 70 4.929 -7.933 5.542 1.00 0.00 C ATOM 1052 O TYR A 70 5.406 -7.314 6.494 1.00 0.00 O ATOM 1053 CB TYR A 70 4.813 -7.107 3.212 1.00 0.00 C ATOM 1054 CG TYR A 70 3.955 -7.075 1.974 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.699 -5.887 1.305 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.418 -8.247 1.464 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.929 -5.874 0.161 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.647 -8.239 0.324 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.408 -7.051 -0.324 1.00 0.00 C ATOM 1060 OH TYR A 70 1.651 -7.042 -1.468 1.00 0.00 O ATOM 0 H TYR A 70 4.273 -5.198 4.838 1.00 0.00 H new ATOM 0 HA TYR A 70 3.152 -7.852 4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.403 -6.191 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.516 -7.936 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.107 -4.962 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.608 -9.182 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.736 -4.943 -0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.233 -9.160 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 70 1.045 -7.812 -1.465 1.00 0.00 H new ATOM 1070 N VAL A 71 5.136 -9.222 5.334 1.00 0.00 N ATOM 1071 CA VAL A 71 6.033 -9.999 6.172 1.00 0.00 C ATOM 1072 C VAL A 71 7.466 -9.842 5.672 1.00 0.00 C ATOM 1073 O VAL A 71 8.413 -10.376 6.252 1.00 0.00 O ATOM 1074 CB VAL A 71 5.651 -11.489 6.163 1.00 0.00 C ATOM 1075 CG1 VAL A 71 4.216 -11.665 6.636 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.843 -12.079 4.773 1.00 0.00 C ATOM 0 H VAL A 71 4.692 -9.755 4.587 1.00 0.00 H new ATOM 0 HA VAL A 71 5.951 -9.628 7.193 1.00 0.00 H new ATOM 0 HB VAL A 71 6.306 -12.025 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.957 -12.724 6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.117 -11.277 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.545 -11.120 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.568 -13.134 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.211 -11.547 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.887 -11.979 4.476 1.00 0.00 H new ATOM 1086 N THR A 72 7.595 -9.112 4.576 1.00 0.00 N ATOM 1087 CA THR A 72 8.870 -8.871 3.930 1.00 0.00 C ATOM 1088 C THR A 72 8.909 -7.475 3.333 1.00 0.00 C ATOM 1089 O THR A 72 7.899 -6.971 2.846 1.00 0.00 O ATOM 1090 CB THR A 72 9.096 -9.861 2.784 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.835 -10.191 2.190 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.804 -11.119 3.247 1.00 0.00 C ATOM 0 H THR A 72 6.807 -8.666 4.106 1.00 0.00 H new ATOM 0 HA THR A 72 9.642 -8.987 4.691 1.00 0.00 H new ATOM 0 HB THR A 72 9.743 -9.384 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.984 -10.715 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.942 -11.791 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.776 -10.857 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.203 -11.615 4.009 1.00 0.00 H new ATOM 1100 N ALA A 73 10.076 -6.856 3.358 1.00 0.00 N ATOM 1101 CA ALA A 73 10.276 -5.605 2.645 1.00 0.00 C ATOM 1102 C ALA A 73 10.518 -5.928 1.179 1.00 0.00 C ATOM 1103 O ALA A 73 10.407 -5.076 0.298 1.00 0.00 O ATOM 1104 CB ALA A 73 11.436 -4.817 3.236 1.00 0.00 C ATOM 0 H ALA A 73 10.896 -7.196 3.861 1.00 0.00 H new ATOM 0 HA ALA A 73 9.390 -4.977 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.563 -3.886 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.228 -4.592 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.350 -5.407 3.167 1.00 0.00 H new ATOM 1110 N LYS A 74 10.846 -7.194 0.957 1.00 0.00 N ATOM 1111 CA LYS A 74 10.993 -7.764 -0.369 1.00 0.00 C ATOM 1112 C LYS A 74 9.668 -7.730 -1.132 1.00 0.00 C ATOM 1113 O LYS A 74 9.604 -7.238 -2.260 1.00 0.00 O ATOM 1114 CB LYS A 74 11.522 -9.189 -0.217 1.00 0.00 C ATOM 1115 CG LYS A 74 11.339 -10.051 -1.439 1.00 0.00 C ATOM 1116 CD LYS A 74 10.391 -11.185 -1.134 1.00 0.00 C ATOM 1117 CE LYS A 74 9.766 -11.718 -2.395 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.792 -12.803 -2.107 1.00 0.00 N1+ ATOM 0 H LYS A 74 11.020 -7.862 1.708 1.00 0.00 H new ATOM 0 HA LYS A 74 11.700 -7.175 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.583 -9.146 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.019 -9.663 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.949 -9.452 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.302 -10.448 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.927 -11.985 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.611 -10.840 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.263 -10.908 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.546 -12.095 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.056 -12.813 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.285 -13.719 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.352 -12.637 -1.179 1.00 0.00 H new ATOM 1132 N ASP A 75 8.611 -8.235 -0.509 1.00 0.00 N ATOM 1133 CA ASP A 75 7.287 -8.241 -1.129 1.00 0.00 C ATOM 1134 C ASP A 75 6.640 -6.864 -1.050 1.00 0.00 C ATOM 1135 O ASP A 75 5.703 -6.573 -1.783 1.00 0.00 O ATOM 1136 CB ASP A 75 6.382 -9.292 -0.481 1.00 0.00 C ATOM 1137 CG ASP A 75 6.769 -10.703 -0.876 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.449 -11.118 -2.004 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.415 -11.403 -0.068 1.00 0.00 O1- ATOM 0 H ASP A 75 8.642 -8.646 0.424 1.00 0.00 H new ATOM 0 HA ASP A 75 7.416 -8.500 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.432 -9.193 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.348 -9.106 -0.770 1.00 0.00 H new ATOM 1144 N ALA A 76 7.152 -6.015 -0.169 1.00 0.00 N ATOM 1145 CA ALA A 76 6.692 -4.635 -0.095 1.00 0.00 C ATOM 1146 C ALA A 76 7.072 -3.891 -1.369 1.00 0.00 C ATOM 1147 O ALA A 76 6.220 -3.327 -2.050 1.00 0.00 O ATOM 1148 CB ALA A 76 7.274 -3.944 1.131 1.00 0.00 C ATOM 0 H ALA A 76 7.882 -6.256 0.501 1.00 0.00 H new ATOM 0 HA ALA A 76 5.606 -4.629 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.920 -2.914 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.957 -4.471 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.362 -3.951 1.071 1.00 0.00 H new ATOM 1154 N GLU A 77 8.356 -3.921 -1.697 1.00 0.00 N ATOM 1155 CA GLU A 77 8.844 -3.369 -2.954 1.00 0.00 C ATOM 1156 C GLU A 77 8.205 -4.101 -4.129 1.00 0.00 C ATOM 1157 O GLU A 77 7.929 -3.503 -5.168 1.00 0.00 O ATOM 1158 CB GLU A 77 10.370 -3.483 -2.998 1.00 0.00 C ATOM 1159 CG GLU A 77 10.982 -3.191 -4.355 1.00 0.00 C ATOM 1160 CD GLU A 77 12.494 -3.220 -4.322 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.123 -2.197 -4.669 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.065 -4.261 -3.939 1.00 0.00 O1- ATOM 0 H GLU A 77 9.083 -4.324 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 77 8.570 -2.316 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.795 -2.796 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.656 -4.490 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.623 -3.923 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.647 -2.212 -4.699 1.00 0.00 H new ATOM 1169 N ARG A 78 7.929 -5.387 -3.932 1.00 0.00 N ATOM 1170 CA ARG A 78 7.315 -6.201 -4.962 1.00 0.00 C ATOM 1171 C ARG A 78 5.900 -5.703 -5.223 1.00 0.00 C ATOM 1172 O ARG A 78 5.432 -5.695 -6.355 1.00 0.00 O ATOM 1173 CB ARG A 78 7.313 -7.666 -4.527 1.00 0.00 C ATOM 1174 CG ARG A 78 6.896 -8.648 -5.604 1.00 0.00 C ATOM 1175 CD ARG A 78 7.208 -10.073 -5.184 1.00 0.00 C ATOM 1176 NE ARG A 78 6.807 -11.057 -6.191 1.00 0.00 N ATOM 1177 CZ ARG A 78 7.470 -12.191 -6.429 1.00 0.00 C ATOM 1178 NH1 ARG A 78 8.636 -12.423 -5.837 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.987 -13.081 -7.286 1.00 0.00 N ATOM 0 H ARG A 78 8.124 -5.884 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 78 7.885 -6.122 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.313 -7.929 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.642 -7.777 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.829 -8.547 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.415 -8.416 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.278 -10.166 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.699 -10.291 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 78 5.971 -10.865 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.029 -11.733 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.138 -13.291 -6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.106 -12.900 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.497 -13.946 -7.465 1.00 0.00 H new ATOM 1193 N ALA A 79 5.230 -5.254 -4.169 1.00 0.00 N ATOM 1194 CA ALA A 79 3.896 -4.702 -4.309 1.00 0.00 C ATOM 1195 C ALA A 79 3.947 -3.331 -4.962 1.00 0.00 C ATOM 1196 O ALA A 79 3.061 -2.968 -5.726 1.00 0.00 O ATOM 1197 CB ALA A 79 3.183 -4.634 -2.963 1.00 0.00 C ATOM 0 H ALA A 79 5.589 -5.263 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 79 3.325 -5.368 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.186 -4.216 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.102 -5.637 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.751 -4.001 -2.282 1.00 0.00 H new ATOM 1203 N ILE A 80 4.987 -2.567 -4.674 1.00 0.00 N ATOM 1204 CA ILE A 80 5.117 -1.236 -5.251 1.00 0.00 C ATOM 1205 C ILE A 80 5.402 -1.272 -6.744 1.00 0.00 C ATOM 1206 O ILE A 80 4.932 -0.425 -7.495 1.00 0.00 O ATOM 1207 CB ILE A 80 6.209 -0.431 -4.558 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.990 -0.447 -3.052 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.204 0.994 -5.072 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.065 0.263 -2.281 1.00 0.00 C ATOM 0 H ILE A 80 5.747 -2.840 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 80 4.153 -0.752 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 80 7.177 -0.881 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.028 0.015 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.934 -1.481 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.987 1.564 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.385 0.994 -6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.236 1.451 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.843 0.211 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.026 -0.213 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.107 1.307 -2.592 1.00 0.00 H new ATOM 1222 N ASN A 81 6.170 -2.233 -7.195 1.00 0.00 N ATOM 1223 CA ASN A 81 6.481 -2.286 -8.606 1.00 0.00 C ATOM 1224 C ASN A 81 5.401 -3.021 -9.375 1.00 0.00 C ATOM 1225 O ASN A 81 5.165 -2.753 -10.554 1.00 0.00 O ATOM 1226 CB ASN A 81 7.856 -2.905 -8.842 1.00 0.00 C ATOM 1227 CG ASN A 81 8.059 -4.267 -8.203 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.199 -5.141 -8.258 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.210 -4.441 -7.576 1.00 0.00 N ATOM 0 H ASN A 81 6.583 -2.972 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 81 6.513 -1.263 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.019 -2.995 -9.916 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.616 -2.223 -8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.410 -5.328 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.898 -3.688 -7.554 1.00 0.00 H new ATOM 1236 N THR A 82 4.739 -3.934 -8.696 1.00 0.00 N ATOM 1237 CA THR A 82 3.703 -4.735 -9.303 1.00 0.00 C ATOM 1238 C THR A 82 2.305 -4.114 -9.136 1.00 0.00 C ATOM 1239 O THR A 82 1.637 -3.786 -10.119 1.00 0.00 O ATOM 1240 CB THR A 82 3.730 -6.148 -8.701 1.00 0.00 C ATOM 1241 OG1 THR A 82 4.919 -6.835 -9.117 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.491 -6.958 -9.064 1.00 0.00 C ATOM 0 H THR A 82 4.905 -4.140 -7.711 1.00 0.00 H new ATOM 0 HA THR A 82 3.904 -4.780 -10.373 1.00 0.00 H new ATOM 0 HB THR A 82 3.732 -6.041 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.707 -6.321 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.559 -7.949 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.602 -6.450 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.425 -7.055 -10.148 1.00 0.00 H new ATOM 1250 N LEU A 83 1.881 -3.947 -7.886 1.00 0.00 N ATOM 1251 CA LEU A 83 0.511 -3.551 -7.566 1.00 0.00 C ATOM 1252 C LEU A 83 0.294 -2.042 -7.624 1.00 0.00 C ATOM 1253 O LEU A 83 -0.835 -1.580 -7.767 1.00 0.00 O ATOM 1254 CB LEU A 83 0.142 -4.042 -6.168 1.00 0.00 C ATOM 1255 CG LEU A 83 0.059 -5.559 -5.987 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.395 -5.895 -4.582 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.867 -6.197 -7.006 1.00 0.00 C ATOM 0 H LEU A 83 2.475 -4.082 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.126 -4.007 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.876 -3.652 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.822 -3.611 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 83 1.057 -5.966 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.450 -6.977 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.316 -5.489 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.379 -5.461 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.899 -7.274 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.870 -5.784 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.499 -5.992 -8.011 1.00 0.00 H new ATOM 1269 N ASN A 84 1.349 -1.265 -7.469 1.00 0.00 N ATOM 1270 CA ASN A 84 1.216 0.184 -7.518 1.00 0.00 C ATOM 1271 C ASN A 84 0.878 0.648 -8.936 1.00 0.00 C ATOM 1272 O ASN A 84 1.702 0.567 -9.852 1.00 0.00 O ATOM 1273 CB ASN A 84 2.486 0.832 -6.974 1.00 0.00 C ATOM 1274 CG ASN A 84 2.595 2.316 -7.247 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.600 3.012 -7.435 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.821 2.809 -7.235 1.00 0.00 N ATOM 0 H ASN A 84 2.298 -1.604 -7.310 1.00 0.00 H new ATOM 0 HA ASN A 84 0.387 0.499 -6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.531 0.669 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.351 0.330 -7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.971 3.807 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.617 2.192 -7.075 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.353 1.127 -9.090 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.894 1.471 -10.392 1.00 0.00 C ATOM 1285 C GLY A 85 -1.680 0.321 -10.988 1.00 0.00 C ATOM 1286 O GLY A 85 -1.883 0.253 -12.202 1.00 0.00 O ATOM 0 H GLY A 85 -0.998 1.286 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.539 2.345 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.081 1.744 -11.064 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.120 -0.584 -10.128 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.879 -1.747 -10.553 1.00 0.00 C ATOM 1292 C LEU A 86 -4.357 -1.512 -10.279 1.00 0.00 C ATOM 1293 O LEU A 86 -4.731 -0.938 -9.253 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.329 -2.995 -9.845 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.019 -4.348 -10.083 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.621 -4.449 -11.471 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -2.005 -5.447 -9.928 1.00 0.00 C ATOM 0 H LEU A 86 -1.962 -0.533 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.775 -1.911 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.283 -3.103 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.346 -2.800 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.824 -4.439 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.097 -5.422 -11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.364 -3.663 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.835 -4.335 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.485 -6.411 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.205 -5.309 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.589 -5.419 -8.921 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.179 -1.933 -11.220 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.605 -1.665 -11.179 1.00 0.00 C ATOM 1311 C ARG A 87 -7.316 -2.547 -10.163 1.00 0.00 C ATOM 1312 O ARG A 87 -7.469 -3.755 -10.360 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.223 -1.858 -12.560 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.770 -0.819 -13.570 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.343 0.555 -13.263 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.845 1.568 -14.187 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.462 2.720 -14.443 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.629 3.005 -13.876 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.910 3.585 -15.277 1.00 0.00 N ATOM 0 H ARG A 87 -4.879 -2.470 -12.034 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.733 -0.628 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.966 -2.851 -12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.309 -1.821 -12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.681 -0.766 -13.573 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.077 -1.126 -14.570 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.431 0.516 -13.318 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.086 0.836 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.966 1.382 -14.669 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.062 2.338 -13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.092 3.891 -14.080 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.017 3.368 -15.720 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.377 4.469 -15.478 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.724 -1.929 -9.074 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.580 -2.560 -8.097 1.00 0.00 C ATOM 1335 C LEU A 88 -10.001 -2.083 -8.300 1.00 0.00 C ATOM 1336 O LEU A 88 -10.303 -0.919 -8.051 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.113 -2.228 -6.688 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.339 -3.345 -6.004 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.758 -2.868 -4.692 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.256 -4.528 -5.774 1.00 0.00 C ATOM 0 H LEU A 88 -7.468 -0.969 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.536 -3.641 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.485 -1.338 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.982 -1.979 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.514 -3.648 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.209 -3.682 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.082 -2.033 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.564 -2.544 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.701 -5.328 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.090 -4.224 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.637 -4.884 -6.731 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.862 -2.968 -8.788 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.248 -2.616 -9.082 1.00 0.00 C ATOM 1354 C GLN A 89 -12.299 -1.433 -10.038 1.00 0.00 C ATOM 1355 O GLN A 89 -13.154 -0.553 -9.922 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.987 -2.294 -7.797 1.00 0.00 C ATOM 1357 CG GLN A 89 -13.022 -3.457 -6.823 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.756 -3.139 -5.537 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.702 -1.887 -5.118 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.356 -4.017 -4.919 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.624 -3.939 -8.990 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.735 -3.466 -9.559 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.512 -1.439 -7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.008 -1.998 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.499 -4.311 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.000 -3.755 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.373 -4.972 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.836 -3.790 -4.048 1.00 0.00 H new ATOM 1369 N SER A 90 -11.332 -1.426 -10.949 1.00 0.00 N ATOM 1370 CA SER A 90 -11.219 -0.419 -12.000 1.00 0.00 C ATOM 1371 C SER A 90 -10.656 0.906 -11.478 1.00 0.00 C ATOM 1372 O SER A 90 -10.582 1.891 -12.212 1.00 0.00 O ATOM 1373 CB SER A 90 -12.558 -0.217 -12.678 1.00 0.00 C ATOM 1374 OG SER A 90 -12.886 -1.320 -13.503 1.00 0.00 O ATOM 0 H SER A 90 -10.594 -2.129 -10.979 1.00 0.00 H new ATOM 0 HA SER A 90 -10.506 -0.790 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.333 -0.080 -11.924 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.532 0.693 -13.277 1.00 0.00 H new ATOM 0 HG SER A 90 -13.756 -1.164 -13.927 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.246 0.920 -10.219 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.616 2.092 -9.625 1.00 0.00 C ATOM 1382 C LYS A 91 -8.107 1.866 -9.564 1.00 0.00 C ATOM 1383 O LYS A 91 -7.656 0.766 -9.252 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.170 2.310 -8.215 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.327 3.752 -7.789 1.00 0.00 C ATOM 1386 CD LYS A 91 -8.986 4.408 -7.675 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.043 5.667 -6.844 1.00 0.00 C ATOM 1388 NZ LYS A 91 -7.770 6.412 -6.904 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.339 0.127 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.827 2.975 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.142 1.822 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.512 1.810 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.941 4.288 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.846 3.801 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.278 3.710 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.613 4.647 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.855 6.302 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.268 5.411 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.612 6.903 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.988 5.749 -7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.812 7.109 -7.674 1.00 0.00 H new ATOM 1402 N THR A 92 -7.331 2.887 -9.875 1.00 0.00 N ATOM 1403 CA THR A 92 -5.880 2.760 -9.852 1.00 0.00 C ATOM 1404 C THR A 92 -5.330 3.164 -8.493 1.00 0.00 C ATOM 1405 O THR A 92 -5.552 4.282 -8.034 1.00 0.00 O ATOM 1406 CB THR A 92 -5.207 3.619 -10.932 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.172 4.009 -11.917 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.073 2.857 -11.604 1.00 0.00 C ATOM 0 H THR A 92 -7.674 3.809 -10.145 1.00 0.00 H new ATOM 0 HA THR A 92 -5.655 1.712 -10.052 1.00 0.00 H new ATOM 0 HB THR A 92 -4.794 4.507 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.737 4.558 -12.602 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.612 3.487 -12.365 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.326 2.584 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.467 1.954 -12.070 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.614 2.246 -7.868 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.082 2.442 -6.529 1.00 0.00 C ATOM 1418 C ILE A 93 -2.607 2.823 -6.574 1.00 0.00 C ATOM 1419 O ILE A 93 -1.969 2.711 -7.616 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.241 1.154 -5.715 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.318 0.068 -6.276 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.691 0.700 -5.758 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.520 -1.282 -5.641 1.00 0.00 C ATOM 0 H ILE A 93 -4.384 1.340 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.639 3.253 -6.060 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.964 1.341 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.482 -0.017 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.282 0.375 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.803 -0.216 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.328 1.477 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.983 0.514 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.833 -2.001 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.327 -1.213 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.546 -1.611 -5.805 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.072 3.297 -5.457 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.645 3.560 -5.364 1.00 0.00 C ATOM 1437 C LYS A 94 -0.117 3.068 -4.036 1.00 0.00 C ATOM 1438 O LYS A 94 -0.454 3.600 -2.982 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.291 5.040 -5.545 1.00 0.00 C ATOM 1440 CG LYS A 94 1.207 5.277 -5.526 1.00 0.00 C ATOM 1441 CD LYS A 94 1.593 6.619 -6.125 1.00 0.00 C ATOM 1442 CE LYS A 94 1.583 6.598 -7.653 1.00 0.00 C ATOM 1443 NZ LYS A 94 0.217 6.676 -8.236 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.601 3.505 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.173 3.019 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.702 5.397 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.760 5.624 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.567 5.225 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.704 4.480 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.903 7.384 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.587 6.898 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.177 7.433 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.066 5.685 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.231 7.295 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.096 5.724 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.440 7.064 -7.529 1.00 0.00 H new ATOM 1457 N VAL A 95 0.703 2.041 -4.099 1.00 0.00 N ATOM 1458 CA VAL A 95 1.264 1.445 -2.910 1.00 0.00 C ATOM 1459 C VAL A 95 2.686 1.966 -2.694 1.00 0.00 C ATOM 1460 O VAL A 95 3.433 2.191 -3.652 1.00 0.00 O ATOM 1461 CB VAL A 95 1.223 -0.102 -2.988 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.366 -0.566 -4.158 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.608 -0.688 -3.063 1.00 0.00 C ATOM 0 H VAL A 95 0.997 1.600 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 95 0.660 1.733 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 95 0.764 -0.466 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.354 -1.655 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.651 -0.195 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.781 -0.180 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.541 -1.775 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.115 -0.312 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.172 -0.403 -2.175 1.00 0.00 H new ATOM 1473 N SER A 96 3.031 2.194 -1.441 1.00 0.00 N ATOM 1474 CA SER A 96 4.314 2.763 -1.063 1.00 0.00 C ATOM 1475 C SER A 96 4.604 2.437 0.392 1.00 0.00 C ATOM 1476 O SER A 96 3.709 2.041 1.120 1.00 0.00 O ATOM 1477 CB SER A 96 4.282 4.281 -1.246 1.00 0.00 C ATOM 1478 OG SER A 96 4.175 4.633 -2.616 1.00 0.00 O ATOM 0 H SER A 96 2.424 1.988 -0.648 1.00 0.00 H new ATOM 0 HA SER A 96 5.094 2.340 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.440 4.698 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.187 4.719 -0.825 1.00 0.00 H new ATOM 0 HG SER A 96 4.053 3.823 -3.153 1.00 0.00 H new ATOM 1484 N TYR A 97 5.849 2.591 0.815 1.00 0.00 N ATOM 1485 CA TYR A 97 6.201 2.371 2.216 1.00 0.00 C ATOM 1486 C TYR A 97 5.519 3.416 3.078 1.00 0.00 C ATOM 1487 O TYR A 97 5.873 4.596 3.026 1.00 0.00 O ATOM 1488 CB TYR A 97 7.714 2.458 2.438 1.00 0.00 C ATOM 1489 CG TYR A 97 8.547 1.864 1.330 1.00 0.00 C ATOM 1490 CD1 TYR A 97 9.306 2.687 0.513 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.574 0.495 1.094 1.00 0.00 C ATOM 1492 CE1 TYR A 97 10.070 2.171 -0.511 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.340 -0.033 0.073 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.086 0.810 -0.729 1.00 0.00 C ATOM 1495 OH TYR A 97 10.841 0.285 -1.753 1.00 0.00 O ATOM 0 H TYR A 97 6.629 2.865 0.217 1.00 0.00 H new ATOM 0 HA TYR A 97 5.869 1.370 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.990 3.505 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.961 1.952 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.298 3.754 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.988 -0.165 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.653 2.829 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.356 -1.099 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 97 10.741 -0.690 -1.767 1.00 0.00 H new ATOM 1505 N ALA A 98 4.527 2.993 3.842 1.00 0.00 N ATOM 1506 CA ALA A 98 3.872 3.885 4.777 1.00 0.00 C ATOM 1507 C ALA A 98 4.842 4.212 5.897 1.00 0.00 C ATOM 1508 O ALA A 98 5.115 3.360 6.742 1.00 0.00 O ATOM 1509 CB ALA A 98 2.600 3.261 5.332 1.00 0.00 C ATOM 0 H ALA A 98 4.160 2.041 3.832 1.00 0.00 H new ATOM 0 HA ALA A 98 3.583 4.800 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.130 3.953 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.912 3.048 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.846 2.334 5.850 1.00 0.00 H new ATOM 1515 N ARG A 99 5.359 5.441 5.870 1.00 0.00 N ATOM 1516 CA ARG A 99 6.430 5.885 6.765 1.00 0.00 C ATOM 1517 C ARG A 99 6.264 5.343 8.189 1.00 0.00 C ATOM 1518 O ARG A 99 5.344 5.728 8.915 1.00 0.00 O ATOM 1519 CB ARG A 99 6.496 7.415 6.762 1.00 0.00 C ATOM 1520 CG ARG A 99 5.168 8.087 7.081 1.00 0.00 C ATOM 1521 CD ARG A 99 5.244 9.593 6.903 1.00 0.00 C ATOM 1522 NE ARG A 99 5.381 9.971 5.495 1.00 0.00 N ATOM 1523 CZ ARG A 99 4.451 10.636 4.806 1.00 0.00 C ATOM 1524 NH1 ARG A 99 3.306 10.983 5.386 1.00 0.00 N1+ ATOM 1525 NH2 ARG A 99 4.667 10.948 3.535 1.00 0.00 N ATOM 0 H ARG A 99 5.044 6.163 5.221 1.00 0.00 H new ATOM 0 HA ARG A 99 7.371 5.481 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.241 7.739 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.838 7.753 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.391 7.683 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.880 7.856 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.347 10.053 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.091 9.983 7.467 1.00 0.00 H new ATOM 0 HE ARG A 99 6.240 9.710 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.135 10.741 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.599 11.491 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.543 10.680 3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.958 11.456 3.007 1.00 0.00 H new ATOM 1539 N PRO A 100 7.149 4.404 8.577 1.00 0.00 N ATOM 1540 CA PRO A 100 7.103 3.739 9.887 1.00 0.00 C ATOM 1541 C PRO A 100 7.140 4.717 11.058 1.00 0.00 C ATOM 1542 O PRO A 100 7.950 5.643 11.077 1.00 0.00 O ATOM 1543 CB PRO A 100 8.362 2.869 9.887 1.00 0.00 C ATOM 1544 CG PRO A 100 8.666 2.637 8.453 1.00 0.00 C ATOM 1545 CD PRO A 100 8.255 3.892 7.747 1.00 0.00 C ATOM 0 HA PRO A 100 6.174 3.184 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.189 3.371 10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.193 1.929 10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.726 2.433 8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.119 1.775 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.076 4.606 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.931 3.691 6.726 1.00 0.00 H new ATOM 1553 N SER A 101 6.260 4.479 12.030 1.00 0.00 N ATOM 1554 CA SER A 101 6.151 5.301 13.229 1.00 0.00 C ATOM 1555 C SER A 101 5.953 6.777 12.873 1.00 0.00 C ATOM 1556 O SER A 101 4.842 7.126 12.422 1.00 0.00 O ATOM 1557 CB SER A 101 7.380 5.096 14.109 1.00 0.00 C ATOM 1558 OG SER A 101 7.272 5.797 15.338 1.00 0.00 O ATOM 1559 OXT SER A 101 6.893 7.584 13.050 1.00 0.00 O1- ATOM 0 H SER A 101 5.598 3.703 12.005 1.00 0.00 H new ATOM 0 HA SER A 101 5.270 4.989 13.790 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.511 4.032 14.308 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.269 5.433 13.576 1.00 0.00 H new ATOM 0 HG SER A 101 8.076 5.641 15.876 1.00 0.00 H new TER 1565 SER A 101