USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 947 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 68 SER OG : rot 110:sc= 1.25 USER MOD Set 1.2: A 110 GLN : amide:sc= -0.0904 K(o=1.2,f=-8.9!) USER MOD Set 2.1: A 35 SER OG : rot 130:sc= 2.35 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -173:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 12 GLN : amide:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Set 3.2: A 44 TYR OH : rot 70:sc=0.000359 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0152 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 14 SER OG : rot 115:sc= 1.15 USER MOD Single : A 18 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 66:sc= -0.239 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.745) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -2.93! K(o=-2.9!,f=-0.9) USER MOD Single : A 42 LYS NZ :NH3+ -115:sc= 0.851 (180deg=-0.472) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0.2 (180deg=-0.168) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.43! C(o=-2.4!,f=-5.8!) USER MOD Single : A 55 MET CE :methyl 161:sc= -0.105 (180deg=-0.564) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 59 ASN : amide:sc= 1.02 K(o=1,f=-0.29) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -4.92! C(o=-4.9!,f=-7.3!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.353 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00836 USER MOD Single : A 98 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.04) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot -172:sc= 0.487 USER MOD Single : A 105 THR OG1 : rot 66:sc= 0.627 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.109 12.679 -6.905 1.00 0.00 N ATOM 2 CA MET A 1 -21.703 12.722 -6.500 1.00 0.00 C ATOM 3 C MET A 1 -21.097 11.354 -6.715 1.00 0.00 C ATOM 4 O MET A 1 -21.694 10.337 -6.326 1.00 0.00 O ATOM 5 CB MET A 1 -21.589 13.156 -5.019 1.00 0.00 C ATOM 6 CG MET A 1 -20.159 13.358 -4.476 1.00 0.00 C ATOM 7 SD MET A 1 -19.219 11.832 -4.215 1.00 0.00 S ATOM 8 CE MET A 1 -17.624 12.506 -3.752 1.00 0.00 C ATOM 0 H1 MET A 1 -23.679 13.243 -6.242 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.206 13.070 -7.864 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.443 11.694 -6.897 1.00 0.00 H new ATOM 0 HA MET A 1 -21.161 13.452 -7.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.138 14.089 -4.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.087 12.407 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.608 13.992 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.218 13.897 -3.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.927 11.691 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.241 13.124 -4.564 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.733 13.114 -2.854 1.00 0.00 H new ATOM 20 N ALA A 2 -19.937 11.325 -7.345 1.00 0.00 N ATOM 21 CA ALA A 2 -19.219 10.106 -7.620 1.00 0.00 C ATOM 22 C ALA A 2 -17.777 10.447 -7.925 1.00 0.00 C ATOM 23 O ALA A 2 -17.502 11.236 -8.830 1.00 0.00 O ATOM 24 CB ALA A 2 -19.840 9.361 -8.800 1.00 0.00 C ATOM 0 H ALA A 2 -19.465 12.164 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.273 9.456 -6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.280 8.445 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.876 9.112 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.808 9.993 -9.687 1.00 0.00 H new ATOM 30 N GLU A 3 -16.872 9.886 -7.168 1.00 0.00 N ATOM 31 CA GLU A 3 -15.478 10.093 -7.351 1.00 0.00 C ATOM 32 C GLU A 3 -15.017 9.329 -8.595 1.00 0.00 C ATOM 33 O GLU A 3 -15.057 8.086 -8.624 1.00 0.00 O ATOM 34 CB GLU A 3 -14.756 9.615 -6.089 1.00 0.00 C ATOM 35 CG GLU A 3 -13.256 9.626 -6.170 1.00 0.00 C ATOM 36 CD GLU A 3 -12.674 10.989 -6.452 1.00 0.00 C ATOM 37 OE1 GLU A 3 -12.461 11.759 -5.517 1.00 0.00 O ATOM 38 OE2 GLU A 3 -12.397 11.298 -7.640 1.00 0.00 O ATOM 0 H GLU A 3 -17.098 9.261 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.249 11.147 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.064 10.243 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.085 8.601 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.847 9.254 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.938 8.936 -6.952 1.00 0.00 H new ATOM 45 N GLY A 4 -14.657 10.074 -9.628 1.00 0.00 N ATOM 46 CA GLY A 4 -14.199 9.480 -10.858 1.00 0.00 C ATOM 47 C GLY A 4 -12.792 9.908 -11.217 1.00 0.00 C ATOM 48 O GLY A 4 -12.253 9.483 -12.236 1.00 0.00 O ATOM 0 H GLY A 4 -14.676 11.094 -9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.234 8.394 -10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.877 9.756 -11.666 1.00 0.00 H new ATOM 52 N GLY A 5 -12.200 10.746 -10.386 1.00 0.00 N ATOM 53 CA GLY A 5 -10.840 11.184 -10.615 1.00 0.00 C ATOM 54 C GLY A 5 -9.924 10.214 -9.946 1.00 0.00 C ATOM 55 O GLY A 5 -8.873 9.842 -10.463 1.00 0.00 O ATOM 0 H GLY A 5 -12.639 11.134 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.630 11.232 -11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.690 12.187 -10.216 1.00 0.00 H new ATOM 59 N ALA A 6 -10.338 9.813 -8.784 1.00 0.00 N ATOM 60 CA ALA A 6 -9.712 8.762 -8.062 1.00 0.00 C ATOM 61 C ALA A 6 -10.621 7.557 -8.212 1.00 0.00 C ATOM 62 O ALA A 6 -11.618 7.628 -8.936 1.00 0.00 O ATOM 63 CB ALA A 6 -9.527 9.146 -6.593 1.00 0.00 C ATOM 0 H ALA A 6 -11.140 10.221 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.714 8.549 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.046 8.326 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.904 10.038 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.500 9.349 -6.145 1.00 0.00 H new ATOM 69 N ALA A 7 -10.315 6.477 -7.587 1.00 0.00 N ATOM 70 CA ALA A 7 -11.155 5.315 -7.717 1.00 0.00 C ATOM 71 C ALA A 7 -12.187 5.264 -6.623 1.00 0.00 C ATOM 72 O ALA A 7 -11.992 5.835 -5.530 1.00 0.00 O ATOM 73 CB ALA A 7 -10.326 4.075 -7.683 1.00 0.00 C ATOM 0 H ALA A 7 -9.501 6.362 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.672 5.381 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.972 3.203 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.611 4.093 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.788 4.023 -6.736 1.00 0.00 H new ATOM 79 N ASP A 8 -13.280 4.583 -6.906 1.00 0.00 N ATOM 80 CA ASP A 8 -14.324 4.381 -5.927 1.00 0.00 C ATOM 81 C ASP A 8 -13.884 3.297 -5.006 1.00 0.00 C ATOM 82 O ASP A 8 -13.093 2.515 -5.393 1.00 0.00 O ATOM 83 CB ASP A 8 -15.636 3.987 -6.575 1.00 0.00 C ATOM 84 CG ASP A 8 -16.758 4.021 -5.582 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.290 5.106 -5.331 1.00 0.00 O ATOM 86 OD2 ASP A 8 -17.087 2.985 -4.995 1.00 0.00 O ATOM 0 H ASP A 8 -13.467 4.158 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.491 5.315 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.856 4.664 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.550 2.986 -6.998 1.00 0.00 H new ATOM 91 N LEU A 9 -14.411 3.227 -3.819 1.00 0.00 N ATOM 92 CA LEU A 9 -13.990 2.227 -2.821 1.00 0.00 C ATOM 93 C LEU A 9 -14.183 0.839 -3.321 1.00 0.00 C ATOM 94 O LEU A 9 -13.370 -0.056 -3.077 1.00 0.00 O ATOM 95 CB LEU A 9 -14.781 2.417 -1.560 1.00 0.00 C ATOM 96 CG LEU A 9 -14.724 3.811 -1.017 1.00 0.00 C ATOM 97 CD1 LEU A 9 -15.366 3.868 0.314 1.00 0.00 C ATOM 98 CD2 LEU A 9 -13.306 4.267 -0.965 1.00 0.00 C ATOM 0 H LEU A 9 -15.148 3.853 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.927 2.371 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.821 2.153 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.411 1.726 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.274 4.485 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.318 4.887 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.408 3.561 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.846 3.198 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.264 5.282 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.733 3.602 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.882 4.251 -1.969 1.00 0.00 H new ATOM 110 N ASP A 10 -15.202 0.697 -4.084 1.00 0.00 N ATOM 111 CA ASP A 10 -15.559 -0.621 -4.652 1.00 0.00 C ATOM 112 C ASP A 10 -14.570 -0.971 -5.741 1.00 0.00 C ATOM 113 O ASP A 10 -14.219 -2.134 -5.964 1.00 0.00 O ATOM 114 CB ASP A 10 -16.998 -0.622 -5.183 1.00 0.00 C ATOM 115 CG ASP A 10 -17.476 -1.994 -5.616 1.00 0.00 C ATOM 116 OD1 ASP A 10 -17.304 -2.367 -6.793 1.00 0.00 O ATOM 117 OD2 ASP A 10 -18.051 -2.731 -4.768 1.00 0.00 O ATOM 0 H ASP A 10 -15.827 1.457 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.510 -1.378 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.664 -0.240 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.067 0.063 -6.028 1.00 0.00 H new ATOM 122 N THR A 11 -14.084 0.052 -6.352 1.00 0.00 N ATOM 123 CA THR A 11 -13.125 -0.018 -7.345 1.00 0.00 C ATOM 124 C THR A 11 -11.726 -0.243 -6.723 1.00 0.00 C ATOM 125 O THR A 11 -11.023 -1.155 -7.121 1.00 0.00 O ATOM 126 CB THR A 11 -13.156 1.322 -8.058 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.407 1.546 -8.715 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.013 1.498 -8.975 1.00 0.00 C ATOM 0 H THR A 11 -14.377 1.007 -6.144 1.00 0.00 H new ATOM 0 HA THR A 11 -13.324 -0.844 -8.027 1.00 0.00 H new ATOM 0 HB THR A 11 -13.056 2.087 -7.288 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.391 2.418 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.082 2.472 -9.460 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.082 1.438 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.030 0.714 -9.732 1.00 0.00 H new ATOM 136 N GLN A 12 -11.376 0.579 -5.716 1.00 0.00 N ATOM 137 CA GLN A 12 -10.035 0.606 -5.135 1.00 0.00 C ATOM 138 C GLN A 12 -9.596 -0.763 -4.645 1.00 0.00 C ATOM 139 O GLN A 12 -8.557 -1.249 -5.082 1.00 0.00 O ATOM 140 CB GLN A 12 -9.877 1.613 -3.990 1.00 0.00 C ATOM 141 CG GLN A 12 -10.531 2.977 -4.135 1.00 0.00 C ATOM 142 CD GLN A 12 -10.024 3.981 -3.114 1.00 0.00 C ATOM 143 OE1 GLN A 12 -9.619 3.621 -2.024 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.092 5.250 -3.445 1.00 0.00 N ATOM 0 H GLN A 12 -12.022 1.242 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.393 0.927 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.269 1.151 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.810 1.771 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.345 3.360 -5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.611 2.871 -4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.436 5.519 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.801 5.967 -2.780 1.00 0.00 H new ATOM 153 N ARG A 13 -10.393 -1.376 -3.721 1.00 0.00 N ATOM 154 CA ARG A 13 -10.112 -2.739 -3.192 1.00 0.00 C ATOM 155 C ARG A 13 -9.740 -3.655 -4.316 1.00 0.00 C ATOM 156 O ARG A 13 -8.689 -4.251 -4.328 1.00 0.00 O ATOM 157 CB ARG A 13 -11.357 -3.394 -2.599 1.00 0.00 C ATOM 158 CG ARG A 13 -12.146 -2.600 -1.634 1.00 0.00 C ATOM 159 CD ARG A 13 -13.327 -3.408 -1.130 1.00 0.00 C ATOM 160 NE ARG A 13 -14.135 -3.945 -2.233 1.00 0.00 N ATOM 161 CZ ARG A 13 -15.337 -3.495 -2.598 1.00 0.00 C ATOM 162 NH1 ARG A 13 -15.920 -2.509 -1.906 1.00 0.00 N ATOM 163 NH2 ARG A 13 -15.959 -4.032 -3.645 1.00 0.00 N ATOM 0 H ARG A 13 -11.232 -0.946 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.327 -2.609 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.014 -3.675 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.051 -4.317 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.516 -2.302 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.499 -1.684 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.967 -4.229 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.952 -2.780 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.746 -4.725 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.446 -2.102 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.839 -2.165 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.517 -4.788 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.878 -3.688 -3.924 1.00 0.00 H new ATOM 177 N SER A 14 -10.619 -3.685 -5.271 1.00 0.00 N ATOM 178 CA SER A 14 -10.589 -4.582 -6.370 1.00 0.00 C ATOM 179 C SER A 14 -9.378 -4.348 -7.298 1.00 0.00 C ATOM 180 O SER A 14 -8.626 -5.283 -7.620 1.00 0.00 O ATOM 181 CB SER A 14 -11.878 -4.332 -7.090 1.00 0.00 C ATOM 182 OG SER A 14 -12.990 -4.611 -6.237 1.00 0.00 O ATOM 0 H SER A 14 -11.415 -3.048 -5.300 1.00 0.00 H new ATOM 0 HA SER A 14 -10.483 -5.614 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.920 -3.295 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.930 -4.957 -7.982 1.00 0.00 H new ATOM 0 HG SER A 14 -13.485 -3.783 -6.064 1.00 0.00 H new ATOM 188 N ASP A 15 -9.179 -3.102 -7.663 1.00 0.00 N ATOM 189 CA ASP A 15 -8.150 -2.678 -8.616 1.00 0.00 C ATOM 190 C ASP A 15 -6.772 -2.916 -8.026 1.00 0.00 C ATOM 191 O ASP A 15 -5.836 -3.305 -8.721 1.00 0.00 O ATOM 192 CB ASP A 15 -8.366 -1.188 -8.954 1.00 0.00 C ATOM 193 CG ASP A 15 -7.634 -0.700 -10.205 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.659 -1.402 -11.230 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.109 0.437 -10.214 1.00 0.00 O ATOM 0 H ASP A 15 -9.736 -2.328 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.224 -3.260 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.434 -1.011 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.043 -0.587 -8.104 1.00 0.00 H new ATOM 200 N ILE A 16 -6.671 -2.729 -6.730 1.00 0.00 N ATOM 201 CA ILE A 16 -5.455 -2.978 -6.014 1.00 0.00 C ATOM 202 C ILE A 16 -5.263 -4.453 -5.785 1.00 0.00 C ATOM 203 O ILE A 16 -4.186 -4.966 -6.061 1.00 0.00 O ATOM 204 CB ILE A 16 -5.420 -2.199 -4.680 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.351 -0.702 -4.935 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.305 -2.650 -3.763 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.172 -0.259 -5.788 1.00 0.00 C ATOM 0 H ILE A 16 -7.438 -2.398 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.627 -2.620 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.351 -2.423 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.274 -0.387 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.304 -0.185 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.332 -2.066 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.433 -3.706 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.345 -2.503 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.203 0.823 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.241 -0.539 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.226 -0.743 -6.763 1.00 0.00 H new ATOM 219 N ALA A 17 -6.335 -5.151 -5.372 1.00 0.00 N ATOM 220 CA ALA A 17 -6.274 -6.586 -5.036 1.00 0.00 C ATOM 221 C ALA A 17 -5.740 -7.350 -6.202 1.00 0.00 C ATOM 222 O ALA A 17 -4.959 -8.281 -6.050 1.00 0.00 O ATOM 223 CB ALA A 17 -7.651 -7.115 -4.674 1.00 0.00 C ATOM 0 H ALA A 17 -7.262 -4.741 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.616 -6.712 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.581 -8.175 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.036 -6.569 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.326 -6.981 -5.519 1.00 0.00 H new ATOM 229 N THR A 18 -6.124 -6.878 -7.359 1.00 0.00 N ATOM 230 CA THR A 18 -5.745 -7.364 -8.609 1.00 0.00 C ATOM 231 C THR A 18 -4.214 -7.413 -8.771 1.00 0.00 C ATOM 232 O THR A 18 -3.657 -8.425 -9.184 1.00 0.00 O ATOM 233 CB THR A 18 -6.415 -6.420 -9.626 1.00 0.00 C ATOM 234 OG1 THR A 18 -7.809 -6.717 -9.774 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.718 -6.315 -10.945 1.00 0.00 C ATOM 0 H THR A 18 -6.759 -6.082 -7.429 1.00 0.00 H new ATOM 0 HA THR A 18 -6.064 -8.396 -8.755 1.00 0.00 H new ATOM 0 HB THR A 18 -6.319 -5.424 -9.194 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.320 -6.238 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.265 -5.629 -11.592 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.705 -5.941 -10.793 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.675 -7.298 -11.413 1.00 0.00 H new ATOM 243 N LEU A 19 -3.564 -6.384 -8.328 1.00 0.00 N ATOM 244 CA LEU A 19 -2.162 -6.190 -8.563 1.00 0.00 C ATOM 245 C LEU A 19 -1.296 -6.929 -7.569 1.00 0.00 C ATOM 246 O LEU A 19 -0.142 -7.219 -7.848 1.00 0.00 O ATOM 247 CB LEU A 19 -1.895 -4.724 -8.591 1.00 0.00 C ATOM 248 CG LEU A 19 -2.689 -4.002 -9.663 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.576 -2.537 -9.507 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.246 -4.406 -11.065 1.00 0.00 C ATOM 0 H LEU A 19 -3.998 -5.639 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.892 -6.622 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.136 -4.297 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.831 -4.556 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.731 -4.295 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.154 -2.042 -10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.961 -2.244 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.530 -2.242 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.839 -3.867 -11.804 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.192 -4.162 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.390 -5.478 -11.197 1.00 0.00 H new ATOM 262 N LEU A 20 -1.851 -7.222 -6.407 1.00 0.00 N ATOM 263 CA LEU A 20 -1.201 -8.104 -5.441 1.00 0.00 C ATOM 264 C LEU A 20 -1.089 -9.499 -6.009 1.00 0.00 C ATOM 265 O LEU A 20 -0.228 -10.296 -5.624 1.00 0.00 O ATOM 266 CB LEU A 20 -2.072 -8.231 -4.219 1.00 0.00 C ATOM 267 CG LEU A 20 -2.096 -7.120 -3.206 1.00 0.00 C ATOM 268 CD1 LEU A 20 -0.750 -6.963 -2.565 1.00 0.00 C ATOM 269 CD2 LEU A 20 -2.552 -5.800 -3.754 1.00 0.00 C ATOM 0 H LEU A 20 -2.756 -6.862 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.221 -7.687 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.096 -8.382 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.773 -9.141 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.836 -7.418 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.787 -6.154 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.475 -7.891 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.008 -6.729 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.541 -5.053 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.882 -5.488 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.565 -5.899 -4.145 1.00 0.00 H new ATOM 281 N LYS A 21 -1.989 -9.783 -6.889 1.00 0.00 N ATOM 282 CA LYS A 21 -2.146 -11.082 -7.453 1.00 0.00 C ATOM 283 C LYS A 21 -1.330 -11.217 -8.705 1.00 0.00 C ATOM 284 O LYS A 21 -0.806 -12.293 -9.010 1.00 0.00 O ATOM 285 CB LYS A 21 -3.597 -11.288 -7.726 1.00 0.00 C ATOM 286 CG LYS A 21 -4.432 -11.299 -6.459 1.00 0.00 C ATOM 287 CD LYS A 21 -5.908 -11.195 -6.779 1.00 0.00 C ATOM 288 CE LYS A 21 -6.313 -12.169 -7.861 1.00 0.00 C ATOM 289 NZ LYS A 21 -7.773 -12.146 -8.127 1.00 0.00 N ATOM 0 H LYS A 21 -2.655 -9.098 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.790 -11.844 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.955 -10.498 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.733 -12.231 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.241 -12.216 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.136 -10.469 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.491 -11.388 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.141 -10.179 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.776 -11.932 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.016 -13.176 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.000 -12.831 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.288 -12.398 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.055 -11.193 -8.432 1.00 0.00 H new ATOM 303 N THR A 22 -1.268 -10.135 -9.432 1.00 0.00 N ATOM 304 CA THR A 22 -0.466 -9.975 -10.579 1.00 0.00 C ATOM 305 C THR A 22 0.982 -10.459 -10.336 1.00 0.00 C ATOM 306 O THR A 22 1.567 -10.264 -9.260 1.00 0.00 O ATOM 307 CB THR A 22 -0.527 -8.503 -10.958 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.895 -8.153 -11.225 1.00 0.00 O ATOM 309 CG2 THR A 22 0.263 -8.241 -12.155 1.00 0.00 C ATOM 0 H THR A 22 -1.814 -9.302 -9.213 1.00 0.00 H new ATOM 0 HA THR A 22 -0.838 -10.589 -11.399 1.00 0.00 H new ATOM 0 HB THR A 22 -0.125 -7.912 -10.135 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.417 -8.217 -10.398 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.203 -7.182 -12.406 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.303 -8.513 -11.972 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.126 -8.832 -12.984 1.00 0.00 H new ATOM 317 N SER A 23 1.513 -11.115 -11.326 1.00 0.00 N ATOM 318 CA SER A 23 2.759 -11.766 -11.216 1.00 0.00 C ATOM 319 C SER A 23 3.902 -10.834 -11.621 1.00 0.00 C ATOM 320 O SER A 23 3.687 -9.765 -12.225 1.00 0.00 O ATOM 321 CB SER A 23 2.732 -13.013 -12.087 1.00 0.00 C ATOM 322 OG SER A 23 3.779 -13.930 -11.758 1.00 0.00 O ATOM 0 H SER A 23 1.075 -11.206 -12.242 1.00 0.00 H new ATOM 0 HA SER A 23 2.934 -12.051 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.769 -13.510 -11.975 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.822 -12.724 -13.134 1.00 0.00 H new ATOM 0 HG SER A 23 3.721 -14.715 -12.341 1.00 0.00 H new ATOM 328 N LEU A 24 5.090 -11.245 -11.290 1.00 0.00 N ATOM 329 CA LEU A 24 6.270 -10.516 -11.560 1.00 0.00 C ATOM 330 C LEU A 24 7.247 -11.258 -12.453 1.00 0.00 C ATOM 331 O LEU A 24 7.104 -12.467 -12.692 1.00 0.00 O ATOM 332 CB LEU A 24 6.905 -10.062 -10.260 1.00 0.00 C ATOM 333 CG LEU A 24 6.866 -11.023 -9.081 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.608 -12.282 -9.392 1.00 0.00 C ATOM 335 CD2 LEU A 24 7.426 -10.345 -7.861 1.00 0.00 C ATOM 0 H LEU A 24 5.258 -12.128 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 24 5.986 -9.634 -12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.949 -9.822 -10.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.418 -9.136 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 24 5.831 -11.300 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.565 -12.951 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.153 -12.769 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.648 -12.045 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.398 -11.034 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.457 -10.047 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.830 -9.462 -7.629 1.00 0.00 H new ATOM 347 N ARG A 25 8.212 -10.519 -12.949 1.00 0.00 N ATOM 348 CA ARG A 25 9.262 -11.012 -13.812 1.00 0.00 C ATOM 349 C ARG A 25 10.532 -10.364 -13.384 1.00 0.00 C ATOM 350 O ARG A 25 10.528 -9.180 -13.097 1.00 0.00 O ATOM 351 CB ARG A 25 8.985 -10.624 -15.258 1.00 0.00 C ATOM 352 CG ARG A 25 7.735 -11.237 -15.832 1.00 0.00 C ATOM 353 CD ARG A 25 7.861 -12.740 -15.887 1.00 0.00 C ATOM 354 NE ARG A 25 8.921 -13.165 -16.815 1.00 0.00 N ATOM 355 CZ ARG A 25 9.440 -14.397 -16.875 1.00 0.00 C ATOM 356 NH1 ARG A 25 9.009 -15.351 -16.044 1.00 0.00 N ATOM 357 NH2 ARG A 25 10.406 -14.669 -17.754 1.00 0.00 N ATOM 0 H ARG A 25 8.291 -9.521 -12.756 1.00 0.00 H new ATOM 0 HA ARG A 25 9.320 -12.098 -13.743 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.907 -9.539 -15.323 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.836 -10.920 -15.871 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.874 -10.960 -15.223 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.557 -10.844 -16.833 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.076 -13.124 -14.890 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.910 -13.174 -16.198 1.00 0.00 H new ATOM 0 HE ARG A 25 9.288 -12.467 -17.462 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.282 -15.141 -15.360 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.408 -16.289 -16.093 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.748 -13.939 -18.379 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.803 -15.607 -17.801 1.00 0.00 H new ATOM 371 N LYS A 26 11.601 -11.105 -13.348 1.00 0.00 N ATOM 372 CA LYS A 26 12.874 -10.575 -12.881 1.00 0.00 C ATOM 373 C LYS A 26 13.392 -9.444 -13.727 1.00 0.00 C ATOM 374 O LYS A 26 13.814 -9.625 -14.879 1.00 0.00 O ATOM 375 CB LYS A 26 13.887 -11.668 -12.655 1.00 0.00 C ATOM 376 CG LYS A 26 13.488 -12.521 -11.493 1.00 0.00 C ATOM 377 CD LYS A 26 14.376 -13.702 -11.298 1.00 0.00 C ATOM 378 CE LYS A 26 13.974 -14.407 -10.039 1.00 0.00 C ATOM 379 NZ LYS A 26 14.752 -15.639 -9.827 1.00 0.00 N ATOM 0 H LYS A 26 11.629 -12.083 -13.635 1.00 0.00 H new ATOM 0 HA LYS A 26 12.685 -10.126 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.974 -12.282 -13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.868 -11.230 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.496 -11.915 -10.587 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.464 -12.865 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.298 -14.377 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.417 -13.385 -11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.113 -13.739 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.913 -14.651 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.607 -15.978 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.437 -16.368 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.762 -15.442 -9.978 1.00 0.00 H new ATOM 393 N GLY A 27 13.351 -8.283 -13.137 1.00 0.00 N ATOM 394 CA GLY A 27 13.687 -7.073 -13.807 1.00 0.00 C ATOM 395 C GLY A 27 12.585 -6.059 -13.625 1.00 0.00 C ATOM 396 O GLY A 27 12.788 -4.864 -13.827 1.00 0.00 O ATOM 0 H GLY A 27 13.078 -8.156 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.624 -6.678 -13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.843 -7.267 -14.868 1.00 0.00 H new ATOM 400 N ASP A 28 11.408 -6.536 -13.218 1.00 0.00 N ATOM 401 CA ASP A 28 10.258 -5.655 -13.003 1.00 0.00 C ATOM 402 C ASP A 28 10.468 -4.856 -11.749 1.00 0.00 C ATOM 403 O ASP A 28 11.206 -5.276 -10.841 1.00 0.00 O ATOM 404 CB ASP A 28 8.936 -6.434 -12.890 1.00 0.00 C ATOM 405 CG ASP A 28 7.696 -5.547 -12.982 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.768 -4.449 -13.591 1.00 0.00 O ATOM 407 OD2 ASP A 28 6.635 -5.933 -12.460 1.00 0.00 O ATOM 0 H ASP A 28 11.226 -7.522 -13.031 1.00 0.00 H new ATOM 0 HA ASP A 28 10.183 -4.999 -13.870 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.896 -7.183 -13.681 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.920 -6.970 -11.941 1.00 0.00 H new ATOM 412 N THR A 29 9.835 -3.746 -11.683 1.00 0.00 N ATOM 413 CA THR A 29 9.984 -2.869 -10.586 1.00 0.00 C ATOM 414 C THR A 29 8.657 -2.754 -9.856 1.00 0.00 C ATOM 415 O THR A 29 7.625 -2.436 -10.457 1.00 0.00 O ATOM 416 CB THR A 29 10.428 -1.487 -11.074 1.00 0.00 C ATOM 417 OG1 THR A 29 11.551 -1.644 -11.977 1.00 0.00 O ATOM 418 CG2 THR A 29 10.833 -0.606 -9.900 1.00 0.00 C ATOM 0 H THR A 29 9.189 -3.416 -12.400 1.00 0.00 H new ATOM 0 HA THR A 29 10.743 -3.262 -9.909 1.00 0.00 H new ATOM 0 HB THR A 29 9.596 -1.008 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.840 -0.763 -12.295 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.145 0.371 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.985 -0.486 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.659 -1.072 -9.363 1.00 0.00 H new ATOM 426 N TRP A 30 8.688 -3.048 -8.605 1.00 0.00 N ATOM 427 CA TRP A 30 7.551 -2.973 -7.755 1.00 0.00 C ATOM 428 C TRP A 30 7.793 -1.871 -6.765 1.00 0.00 C ATOM 429 O TRP A 30 8.915 -1.420 -6.610 1.00 0.00 O ATOM 430 CB TRP A 30 7.330 -4.319 -7.049 1.00 0.00 C ATOM 431 CG TRP A 30 6.837 -5.406 -7.989 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.399 -5.819 -9.174 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.670 -6.218 -7.812 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.633 -6.784 -9.738 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.574 -7.063 -8.922 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.701 -6.302 -6.829 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.537 -7.985 -9.072 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.675 -7.213 -6.973 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.603 -8.043 -8.086 1.00 0.00 C ATOM 0 H TRP A 30 9.534 -3.358 -8.128 1.00 0.00 H new ATOM 0 HA TRP A 30 6.650 -2.758 -8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.265 -4.640 -6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.607 -4.187 -6.244 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.316 -5.431 -9.593 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.819 -7.233 -10.635 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.747 -5.663 -5.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.479 -8.628 -9.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.915 -7.283 -6.209 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.789 -8.748 -8.169 1.00 0.00 H new ATOM 450 N TYR A 31 6.778 -1.413 -6.146 1.00 0.00 N ATOM 451 CA TYR A 31 6.893 -0.360 -5.184 1.00 0.00 C ATOM 452 C TYR A 31 6.466 -0.849 -3.859 1.00 0.00 C ATOM 453 O TYR A 31 5.530 -1.649 -3.769 1.00 0.00 O ATOM 454 CB TYR A 31 6.062 0.840 -5.591 1.00 0.00 C ATOM 455 CG TYR A 31 6.625 1.589 -6.780 1.00 0.00 C ATOM 456 CD1 TYR A 31 6.492 1.104 -8.072 1.00 0.00 C ATOM 457 CD2 TYR A 31 7.296 2.785 -6.601 1.00 0.00 C ATOM 458 CE1 TYR A 31 7.017 1.788 -9.146 1.00 0.00 C ATOM 459 CE2 TYR A 31 7.821 3.478 -7.671 1.00 0.00 C ATOM 460 CZ TYR A 31 7.677 2.972 -8.945 1.00 0.00 C ATOM 461 OH TYR A 31 8.198 3.656 -10.023 1.00 0.00 O ATOM 0 H TYR A 31 5.827 -1.753 -6.285 1.00 0.00 H new ATOM 0 HA TYR A 31 7.936 -0.047 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.051 0.509 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.985 1.523 -4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.968 0.174 -8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.411 3.184 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.909 1.392 -10.145 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.341 4.411 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 31 8.634 4.476 -9.710 1.00 0.00 H new ATOM 471 N LEU A 32 7.151 -0.414 -2.842 1.00 0.00 N ATOM 472 CA LEU A 32 6.815 -0.817 -1.518 1.00 0.00 C ATOM 473 C LEU A 32 6.151 0.242 -0.701 1.00 0.00 C ATOM 474 O LEU A 32 6.574 1.396 -0.638 1.00 0.00 O ATOM 475 CB LEU A 32 7.872 -1.654 -0.726 1.00 0.00 C ATOM 476 CG LEU A 32 9.282 -1.182 -0.603 1.00 0.00 C ATOM 477 CD1 LEU A 32 10.039 -2.138 0.251 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.921 -1.071 -1.932 1.00 0.00 C ATOM 0 H LEU A 32 7.946 0.221 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 32 6.049 -1.566 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.487 -1.781 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.904 -2.644 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 32 9.287 -0.192 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.071 -1.801 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.580 -2.186 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.021 -3.127 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.948 -0.725 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.920 -2.046 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.367 -0.360 -2.544 1.00 0.00 H new ATOM 490 N VAL A 33 5.104 -0.187 -0.105 1.00 0.00 N ATOM 491 CA VAL A 33 4.209 0.604 0.707 1.00 0.00 C ATOM 492 C VAL A 33 4.400 0.146 2.112 1.00 0.00 C ATOM 493 O VAL A 33 4.774 -0.989 2.324 1.00 0.00 O ATOM 494 CB VAL A 33 2.707 0.312 0.315 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.710 1.061 1.180 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.438 0.645 -1.107 1.00 0.00 C ATOM 0 H VAL A 33 4.814 -1.163 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 33 4.416 1.666 0.572 1.00 0.00 H new ATOM 0 HB VAL A 33 2.573 -0.757 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.697 0.818 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.842 0.770 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.875 2.134 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.395 0.431 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.638 1.703 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.083 0.046 -1.749 1.00 0.00 H new ATOM 506 N ASP A 34 4.188 1.000 3.064 1.00 0.00 N ATOM 507 CA ASP A 34 4.181 0.547 4.424 1.00 0.00 C ATOM 508 C ASP A 34 2.906 -0.224 4.621 1.00 0.00 C ATOM 509 O ASP A 34 1.812 0.261 4.279 1.00 0.00 O ATOM 510 CB ASP A 34 4.297 1.706 5.414 1.00 0.00 C ATOM 511 CG ASP A 34 4.092 1.279 6.860 1.00 0.00 C ATOM 512 OD1 ASP A 34 4.290 0.093 7.191 1.00 0.00 O ATOM 513 OD2 ASP A 34 3.682 2.113 7.665 1.00 0.00 O ATOM 0 H ASP A 34 4.020 1.997 2.932 1.00 0.00 H new ATOM 0 HA ASP A 34 5.047 -0.086 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.280 2.165 5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.561 2.469 5.159 1.00 0.00 H new ATOM 518 N SER A 35 3.025 -1.383 5.192 1.00 0.00 N ATOM 519 CA SER A 35 1.935 -2.292 5.275 1.00 0.00 C ATOM 520 C SER A 35 0.931 -1.760 6.286 1.00 0.00 C ATOM 521 O SER A 35 -0.257 -2.046 6.205 1.00 0.00 O ATOM 522 CB SER A 35 2.443 -3.670 5.704 1.00 0.00 C ATOM 523 OG SER A 35 1.472 -4.673 5.490 1.00 0.00 O ATOM 0 H SER A 35 3.889 -1.723 5.615 1.00 0.00 H new ATOM 0 HA SER A 35 1.454 -2.389 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.348 -3.914 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.715 -3.646 6.759 1.00 0.00 H new ATOM 0 HG SER A 35 1.877 -5.422 5.005 1.00 0.00 H new ATOM 529 N ARG A 36 1.414 -0.906 7.194 1.00 0.00 N ATOM 530 CA ARG A 36 0.579 -0.367 8.250 1.00 0.00 C ATOM 531 C ARG A 36 -0.427 0.614 7.651 1.00 0.00 C ATOM 532 O ARG A 36 -1.592 0.649 8.050 1.00 0.00 O ATOM 533 CB ARG A 36 1.415 0.347 9.318 1.00 0.00 C ATOM 534 CG ARG A 36 2.677 -0.374 9.791 1.00 0.00 C ATOM 535 CD ARG A 36 2.474 -1.857 10.049 1.00 0.00 C ATOM 536 NE ARG A 36 3.717 -2.550 10.475 1.00 0.00 N ATOM 537 CZ ARG A 36 4.837 -2.744 9.726 1.00 0.00 C ATOM 538 NH1 ARG A 36 5.082 -2.019 8.644 1.00 0.00 N ATOM 539 NH2 ARG A 36 5.759 -3.608 10.133 1.00 0.00 N ATOM 0 H ARG A 36 2.380 -0.579 7.211 1.00 0.00 H new ATOM 0 HA ARG A 36 0.058 -1.197 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.705 1.323 8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.779 0.527 10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.459 -0.249 9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.034 0.099 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.712 -1.985 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.095 -2.329 9.143 1.00 0.00 H new ATOM 0 HE ARG A 36 3.733 -2.918 11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.424 -1.295 8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.929 -2.185 8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.626 -4.123 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.600 -3.757 9.575 1.00 0.00 H new ATOM 553 N TRP A 37 0.019 1.365 6.647 1.00 0.00 N ATOM 554 CA TRP A 37 -0.836 2.324 5.968 1.00 0.00 C ATOM 555 C TRP A 37 -1.854 1.560 5.136 1.00 0.00 C ATOM 556 O TRP A 37 -3.035 1.889 5.122 1.00 0.00 O ATOM 557 CB TRP A 37 -0.003 3.297 5.076 1.00 0.00 C ATOM 558 CG TRP A 37 -0.840 4.274 4.271 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.187 5.561 4.601 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.442 4.014 3.002 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.973 6.104 3.603 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.147 5.166 2.618 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.451 2.906 2.161 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.857 5.231 1.422 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.141 2.960 0.997 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.847 4.115 0.624 1.00 0.00 C ATOM 0 H TRP A 37 0.973 1.324 6.287 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.350 2.937 6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.681 3.860 5.712 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.609 2.710 4.391 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.890 6.072 5.505 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.360 7.048 3.599 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.912 2.011 2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.393 6.123 1.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.148 2.100 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.392 4.125 -0.308 1.00 0.00 H new ATOM 577 N PHE A 38 -1.385 0.529 4.456 1.00 0.00 N ATOM 578 CA PHE A 38 -2.241 -0.301 3.639 1.00 0.00 C ATOM 579 C PHE A 38 -3.309 -0.964 4.504 1.00 0.00 C ATOM 580 O PHE A 38 -4.459 -1.047 4.101 1.00 0.00 O ATOM 581 CB PHE A 38 -1.416 -1.342 2.915 1.00 0.00 C ATOM 582 CG PHE A 38 -2.166 -2.138 1.862 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.913 -3.264 2.204 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.090 -1.777 0.526 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.567 -4.000 1.236 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.736 -2.515 -0.443 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.477 -3.627 -0.088 1.00 0.00 C ATOM 0 H PHE A 38 -0.405 0.248 4.457 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.739 0.322 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.570 -0.846 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.007 -2.035 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.981 -3.565 3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.518 -0.907 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.148 -4.866 1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.663 -2.224 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.985 -4.203 -0.847 1.00 0.00 H new ATOM 597 N LYS A 39 -2.917 -1.448 5.696 1.00 0.00 N ATOM 598 CA LYS A 39 -3.838 -1.978 6.646 1.00 0.00 C ATOM 599 C LYS A 39 -4.960 -0.989 6.936 1.00 0.00 C ATOM 600 O LYS A 39 -6.124 -1.354 6.936 1.00 0.00 O ATOM 601 CB LYS A 39 -3.123 -2.331 7.939 1.00 0.00 C ATOM 602 CG LYS A 39 -2.906 -3.813 8.188 1.00 0.00 C ATOM 603 CD LYS A 39 -1.754 -4.506 7.443 1.00 0.00 C ATOM 604 CE LYS A 39 -1.998 -4.713 5.964 1.00 0.00 C ATOM 605 NZ LYS A 39 -1.023 -5.665 5.391 1.00 0.00 N ATOM 0 H LYS A 39 -1.945 -1.471 6.003 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.273 -2.880 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.153 -1.835 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.694 -1.921 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.745 -3.952 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.829 -4.334 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.848 -3.914 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.569 -5.475 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.010 -5.087 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.927 -3.758 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.136 -5.698 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.058 -5.355 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.188 -6.612 5.788 1.00 0.00 H new ATOM 619 N GLN A 40 -4.589 0.252 7.142 1.00 0.00 N ATOM 620 CA GLN A 40 -5.493 1.322 7.408 1.00 0.00 C ATOM 621 C GLN A 40 -6.411 1.569 6.205 1.00 0.00 C ATOM 622 O GLN A 40 -7.611 1.843 6.371 1.00 0.00 O ATOM 623 CB GLN A 40 -4.637 2.521 7.682 1.00 0.00 C ATOM 624 CG GLN A 40 -5.356 3.710 8.141 1.00 0.00 C ATOM 625 CD GLN A 40 -5.912 3.530 9.527 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.246 3.821 10.510 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.110 3.059 9.621 1.00 0.00 N ATOM 0 H GLN A 40 -3.612 0.545 7.126 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.143 1.096 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.894 2.253 8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.093 2.774 6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.684 4.568 8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.169 3.932 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.635 2.828 8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.532 2.918 10.539 1.00 0.00 H new ATOM 636 N TRP A 41 -5.842 1.474 5.020 1.00 0.00 N ATOM 637 CA TRP A 41 -6.582 1.610 3.786 1.00 0.00 C ATOM 638 C TRP A 41 -7.650 0.531 3.673 1.00 0.00 C ATOM 639 O TRP A 41 -8.753 0.810 3.236 1.00 0.00 O ATOM 640 CB TRP A 41 -5.635 1.591 2.569 1.00 0.00 C ATOM 641 CG TRP A 41 -6.344 1.542 1.242 1.00 0.00 C ATOM 642 CD1 TRP A 41 -6.988 2.560 0.606 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.479 0.401 0.396 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.520 2.120 -0.576 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.214 0.799 -0.733 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.049 -0.921 0.486 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.527 -0.078 -1.758 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.362 -1.787 -0.534 1.00 0.00 C ATOM 649 CH2 TRP A 41 -7.093 -1.363 -1.641 1.00 0.00 C ATOM 0 H TRP A 41 -4.846 1.299 4.888 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.085 2.577 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.003 2.479 2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.975 0.727 2.649 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.067 3.570 0.981 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.057 2.687 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.481 -1.259 1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.094 0.245 -2.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.035 -2.815 -0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.321 -2.070 -2.425 1.00 0.00 H new ATOM 660 N LYS A 42 -7.335 -0.686 4.119 1.00 0.00 N ATOM 661 CA LYS A 42 -8.277 -1.803 4.041 1.00 0.00 C ATOM 662 C LYS A 42 -9.541 -1.502 4.790 1.00 0.00 C ATOM 663 O LYS A 42 -10.626 -1.804 4.326 1.00 0.00 O ATOM 664 CB LYS A 42 -7.708 -3.031 4.668 1.00 0.00 C ATOM 665 CG LYS A 42 -6.371 -3.453 4.157 1.00 0.00 C ATOM 666 CD LYS A 42 -5.979 -4.776 4.753 1.00 0.00 C ATOM 667 CE LYS A 42 -6.189 -4.822 6.269 1.00 0.00 C ATOM 668 NZ LYS A 42 -6.005 -6.164 6.811 1.00 0.00 N ATOM 0 H LYS A 42 -6.436 -0.923 4.538 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.476 -1.956 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.631 -2.867 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.410 -3.852 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.397 -3.529 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.624 -2.699 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.562 -5.569 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.931 -4.976 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.491 -4.138 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.193 -4.471 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.907 -6.510 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.683 -6.802 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.293 -6.138 7.569 1.00 0.00 H new ATOM 682 N LYS A 43 -9.375 -0.894 5.939 1.00 0.00 N ATOM 683 CA LYS A 43 -10.473 -0.589 6.839 1.00 0.00 C ATOM 684 C LYS A 43 -11.366 0.446 6.187 1.00 0.00 C ATOM 685 O LYS A 43 -12.587 0.400 6.292 1.00 0.00 O ATOM 686 CB LYS A 43 -9.905 -0.004 8.125 1.00 0.00 C ATOM 687 CG LYS A 43 -8.662 -0.721 8.618 1.00 0.00 C ATOM 688 CD LYS A 43 -8.081 -0.076 9.847 1.00 0.00 C ATOM 689 CE LYS A 43 -8.829 -0.455 11.112 1.00 0.00 C ATOM 690 NZ LYS A 43 -8.792 -1.906 11.372 1.00 0.00 N ATOM 0 H LYS A 43 -8.464 -0.591 6.285 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.042 -1.493 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.668 1.048 7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.669 -0.043 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.907 -1.760 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.913 -0.731 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.035 -0.367 9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.100 1.007 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.395 0.075 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.866 -0.130 11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.511 -2.150 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.988 -2.422 10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.851 -2.171 11.726 1.00 0.00 H new ATOM 704 N TYR A 44 -10.725 1.351 5.477 1.00 0.00 N ATOM 705 CA TYR A 44 -11.389 2.441 4.818 1.00 0.00 C ATOM 706 C TYR A 44 -12.042 2.000 3.498 1.00 0.00 C ATOM 707 O TYR A 44 -13.082 2.501 3.127 1.00 0.00 O ATOM 708 CB TYR A 44 -10.376 3.598 4.596 1.00 0.00 C ATOM 709 CG TYR A 44 -10.474 4.320 3.265 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.393 5.339 3.039 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.640 3.954 2.230 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.468 5.955 1.800 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.704 4.560 1.012 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.609 5.550 0.791 1.00 0.00 C ATOM 715 OH TYR A 44 -10.669 6.125 -0.458 1.00 0.00 O ATOM 0 H TYR A 44 -9.714 1.344 5.344 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.199 2.795 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.508 4.329 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.368 3.196 4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.053 5.652 3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.918 3.167 2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.187 6.741 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.035 4.254 0.221 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.345 7.049 -0.409 1.00 0.00 H new ATOM 725 N VAL A 45 -11.413 1.111 2.786 1.00 0.00 N ATOM 726 CA VAL A 45 -11.911 0.692 1.527 1.00 0.00 C ATOM 727 C VAL A 45 -12.874 -0.510 1.659 1.00 0.00 C ATOM 728 O VAL A 45 -13.667 -0.787 0.757 1.00 0.00 O ATOM 729 CB VAL A 45 -10.735 0.333 0.616 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.132 -1.013 0.854 1.00 0.00 C ATOM 731 CG2 VAL A 45 -11.037 0.598 -0.763 1.00 0.00 C ATOM 0 H VAL A 45 -10.542 0.662 3.069 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.481 1.514 1.093 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.929 1.008 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.308 -1.171 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.759 -1.069 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.888 -1.783 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.180 0.331 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.901 0.007 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.260 1.657 -0.890 1.00 0.00 H new ATOM 741 N GLY A 46 -12.803 -1.194 2.782 1.00 0.00 N ATOM 742 CA GLY A 46 -13.584 -2.370 2.995 1.00 0.00 C ATOM 743 C GLY A 46 -12.952 -3.589 2.364 1.00 0.00 C ATOM 744 O GLY A 46 -13.649 -4.479 1.872 1.00 0.00 O ATOM 0 H GLY A 46 -12.200 -0.942 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.704 -2.537 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.582 -2.223 2.581 1.00 0.00 H new ATOM 748 N PHE A 47 -11.626 -3.614 2.367 1.00 0.00 N ATOM 749 CA PHE A 47 -10.851 -4.703 1.790 1.00 0.00 C ATOM 750 C PHE A 47 -11.023 -5.976 2.626 1.00 0.00 C ATOM 751 O PHE A 47 -11.175 -7.078 2.081 1.00 0.00 O ATOM 752 CB PHE A 47 -9.380 -4.295 1.739 1.00 0.00 C ATOM 753 CG PHE A 47 -8.505 -5.149 0.886 1.00 0.00 C ATOM 754 CD1 PHE A 47 -8.334 -4.839 -0.443 1.00 0.00 C ATOM 755 CD2 PHE A 47 -7.842 -6.243 1.408 1.00 0.00 C ATOM 756 CE1 PHE A 47 -7.521 -5.598 -1.249 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.024 -7.018 0.610 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.861 -6.693 -0.725 1.00 0.00 C ATOM 0 H PHE A 47 -11.054 -2.873 2.773 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.205 -4.908 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.318 -3.268 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.984 -4.300 2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.847 -3.985 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.965 -6.495 2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.398 -5.339 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.514 -7.874 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.221 -7.293 -1.355 1.00 0.00 H new ATOM 768 N ASP A 48 -10.993 -5.823 3.931 1.00 0.00 N ATOM 769 CA ASP A 48 -11.208 -6.943 4.837 1.00 0.00 C ATOM 770 C ASP A 48 -12.680 -7.085 5.073 1.00 0.00 C ATOM 771 O ASP A 48 -13.336 -6.127 5.446 1.00 0.00 O ATOM 772 CB ASP A 48 -10.480 -6.762 6.188 1.00 0.00 C ATOM 773 CG ASP A 48 -8.993 -7.088 6.165 1.00 0.00 C ATOM 774 OD1 ASP A 48 -8.335 -6.945 5.124 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.431 -7.455 7.228 1.00 0.00 O ATOM 0 H ASP A 48 -10.821 -4.932 4.396 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.796 -7.839 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.606 -5.730 6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.964 -7.394 6.932 1.00 0.00 H new ATOM 780 N SER A 49 -13.203 -8.259 4.851 1.00 0.00 N ATOM 781 CA SER A 49 -14.622 -8.519 5.000 1.00 0.00 C ATOM 782 C SER A 49 -15.110 -8.255 6.432 1.00 0.00 C ATOM 783 O SER A 49 -16.196 -7.724 6.642 1.00 0.00 O ATOM 784 CB SER A 49 -14.894 -9.953 4.588 1.00 0.00 C ATOM 785 OG SER A 49 -14.389 -10.175 3.276 1.00 0.00 O ATOM 0 H SER A 49 -12.660 -9.072 4.560 1.00 0.00 H new ATOM 0 HA SER A 49 -15.176 -7.835 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.423 -10.640 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.965 -10.153 4.615 1.00 0.00 H new ATOM 0 HG SER A 49 -14.563 -11.102 3.011 1.00 0.00 H new ATOM 791 N TRP A 50 -14.277 -8.566 7.393 1.00 0.00 N ATOM 792 CA TRP A 50 -14.623 -8.415 8.794 1.00 0.00 C ATOM 793 C TRP A 50 -14.214 -7.045 9.329 1.00 0.00 C ATOM 794 O TRP A 50 -14.560 -6.676 10.450 1.00 0.00 O ATOM 795 CB TRP A 50 -13.962 -9.528 9.617 1.00 0.00 C ATOM 796 CG TRP A 50 -12.458 -9.573 9.490 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.551 -8.991 10.321 1.00 0.00 C ATOM 798 CD2 TRP A 50 -11.698 -10.231 8.467 1.00 0.00 C ATOM 799 NE1 TRP A 50 -10.281 -9.250 9.886 1.00 0.00 N ATOM 800 CE2 TRP A 50 -10.342 -10.007 8.750 1.00 0.00 C ATOM 801 CE3 TRP A 50 -12.036 -10.986 7.345 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -9.323 -10.512 7.950 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -11.024 -11.484 6.553 1.00 0.00 C ATOM 804 CH2 TRP A 50 -9.684 -11.246 6.860 1.00 0.00 C ATOM 0 H TRP A 50 -13.338 -8.931 7.232 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.706 -8.493 8.885 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.224 -9.395 10.667 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -14.372 -10.489 9.306 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.798 -8.409 11.197 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.424 -8.929 10.337 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -13.071 -11.177 7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.285 -10.329 8.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -11.273 -12.069 5.680 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.915 -11.653 6.219 1.00 0.00 H new ATOM 815 N ASP A 51 -13.498 -6.296 8.532 1.00 0.00 N ATOM 816 CA ASP A 51 -13.005 -4.997 8.970 1.00 0.00 C ATOM 817 C ASP A 51 -13.180 -3.987 7.896 1.00 0.00 C ATOM 818 O ASP A 51 -12.306 -3.769 7.056 1.00 0.00 O ATOM 819 CB ASP A 51 -11.569 -5.081 9.525 1.00 0.00 C ATOM 820 CG ASP A 51 -10.971 -3.748 9.943 1.00 0.00 C ATOM 821 OD1 ASP A 51 -11.547 -3.046 10.809 1.00 0.00 O ATOM 822 OD2 ASP A 51 -9.864 -3.415 9.480 1.00 0.00 O ATOM 0 H ASP A 51 -13.239 -6.553 7.579 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.608 -4.660 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.565 -5.751 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.927 -5.530 8.767 1.00 0.00 H new ATOM 827 N LYS A 52 -14.377 -3.422 7.886 1.00 0.00 N ATOM 828 CA LYS A 52 -14.762 -2.528 6.836 1.00 0.00 C ATOM 829 C LYS A 52 -15.920 -1.647 7.217 1.00 0.00 C ATOM 830 O LYS A 52 -16.507 -0.966 6.381 1.00 0.00 O ATOM 831 CB LYS A 52 -15.115 -3.349 5.669 1.00 0.00 C ATOM 832 CG LYS A 52 -16.352 -4.184 5.789 1.00 0.00 C ATOM 833 CD LYS A 52 -16.442 -4.989 4.555 1.00 0.00 C ATOM 834 CE LYS A 52 -17.706 -5.828 4.483 1.00 0.00 C ATOM 835 NZ LYS A 52 -17.788 -6.616 3.226 1.00 0.00 N ATOM 0 H LYS A 52 -15.090 -3.575 8.599 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.930 -1.858 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.231 -2.688 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.277 -4.011 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.301 -4.827 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.234 -3.554 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.404 -4.325 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.574 -5.645 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.739 -6.505 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.577 -5.177 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.667 -7.172 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.783 -5.970 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.972 -7.258 3.165 1.00 0.00 H new ATOM 849 N TYR A 53 -16.218 -1.628 8.469 1.00 0.00 N ATOM 850 CA TYR A 53 -17.279 -0.759 9.040 1.00 0.00 C ATOM 851 C TYR A 53 -16.832 0.709 8.955 1.00 0.00 C ATOM 852 O TYR A 53 -17.552 1.630 9.331 1.00 0.00 O ATOM 853 CB TYR A 53 -17.508 -1.086 10.521 1.00 0.00 C ATOM 854 CG TYR A 53 -17.740 -2.543 10.843 1.00 0.00 C ATOM 855 CD1 TYR A 53 -16.672 -3.374 11.130 1.00 0.00 C ATOM 856 CD2 TYR A 53 -19.018 -3.081 10.884 1.00 0.00 C ATOM 857 CE1 TYR A 53 -16.864 -4.696 11.458 1.00 0.00 C ATOM 858 CE2 TYR A 53 -19.221 -4.411 11.205 1.00 0.00 C ATOM 859 CZ TYR A 53 -18.137 -5.215 11.492 1.00 0.00 C ATOM 860 OH TYR A 53 -18.324 -6.542 11.839 1.00 0.00 O ATOM 0 H TYR A 53 -15.747 -2.209 9.163 1.00 0.00 H new ATOM 0 HA TYR A 53 -18.197 -0.927 8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.643 -0.741 11.088 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -18.367 -0.514 10.871 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -15.668 -2.977 11.096 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -19.867 -2.452 10.662 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -16.017 -5.325 11.688 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -20.221 -4.817 11.231 1.00 0.00 H new ATOM 0 HH TYR A 53 -19.281 -6.754 11.817 1.00 0.00 H new ATOM 870 N GLN A 54 -15.623 0.890 8.492 1.00 0.00 N ATOM 871 CA GLN A 54 -14.997 2.141 8.382 1.00 0.00 C ATOM 872 C GLN A 54 -14.815 2.486 6.924 1.00 0.00 C ATOM 873 O GLN A 54 -13.994 3.348 6.577 1.00 0.00 O ATOM 874 CB GLN A 54 -13.641 2.055 9.032 1.00 0.00 C ATOM 875 CG GLN A 54 -13.663 1.528 10.462 1.00 0.00 C ATOM 876 CD GLN A 54 -13.404 0.026 10.550 1.00 0.00 C ATOM 877 OE1 GLN A 54 -14.317 -0.783 10.504 1.00 0.00 O ATOM 878 NE2 GLN A 54 -12.184 -0.340 10.720 1.00 0.00 N ATOM 0 H GLN A 54 -15.037 0.119 8.171 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.606 2.904 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.002 1.409 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.186 3.046 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.911 2.055 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.631 1.751 10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.442 0.359 10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.958 -1.329 10.821 1.00 0.00 H new ATOM 887 N MET A 55 -15.546 1.800 6.072 1.00 0.00 N ATOM 888 CA MET A 55 -15.479 2.016 4.677 1.00 0.00 C ATOM 889 C MET A 55 -15.929 3.437 4.331 1.00 0.00 C ATOM 890 O MET A 55 -17.122 3.758 4.373 1.00 0.00 O ATOM 891 CB MET A 55 -16.306 0.985 3.941 1.00 0.00 C ATOM 892 CG MET A 55 -16.096 1.048 2.476 1.00 0.00 C ATOM 893 SD MET A 55 -17.164 -0.059 1.527 1.00 0.00 S ATOM 894 CE MET A 55 -18.776 0.641 1.886 1.00 0.00 C ATOM 0 H MET A 55 -16.205 1.073 6.350 1.00 0.00 H new ATOM 0 HA MET A 55 -14.443 1.906 4.357 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.049 -0.011 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.362 1.141 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 55 -16.262 2.072 2.140 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.056 0.806 2.258 1.00 0.00 H new ATOM 0 HE1 MET A 55 -19.493 0.306 1.137 1.00 0.00 H new ATOM 0 HE2 MET A 55 -19.103 0.314 2.873 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.713 1.729 1.867 1.00 0.00 H new ATOM 904 N GLY A 56 -14.964 4.269 4.013 1.00 0.00 N ATOM 905 CA GLY A 56 -15.211 5.656 3.730 1.00 0.00 C ATOM 906 C GLY A 56 -15.485 6.428 4.995 1.00 0.00 C ATOM 907 O GLY A 56 -16.228 7.418 4.982 1.00 0.00 O ATOM 0 H GLY A 56 -13.983 3.997 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.349 6.085 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.061 5.747 3.054 1.00 0.00 H new ATOM 911 N ASP A 57 -14.908 5.978 6.099 1.00 0.00 N ATOM 912 CA ASP A 57 -15.142 6.615 7.374 1.00 0.00 C ATOM 913 C ASP A 57 -13.945 7.472 7.733 1.00 0.00 C ATOM 914 O ASP A 57 -12.815 7.191 7.322 1.00 0.00 O ATOM 915 CB ASP A 57 -15.366 5.563 8.454 1.00 0.00 C ATOM 916 CG ASP A 57 -16.111 6.086 9.651 1.00 0.00 C ATOM 917 OD1 ASP A 57 -15.632 7.017 10.306 1.00 0.00 O ATOM 918 OD2 ASP A 57 -17.189 5.563 9.959 1.00 0.00 O ATOM 0 H ASP A 57 -14.278 5.177 6.132 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.032 7.240 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.920 4.727 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.401 5.174 8.778 1.00 0.00 H new ATOM 923 N GLN A 58 -14.179 8.474 8.529 1.00 0.00 N ATOM 924 CA GLN A 58 -13.158 9.412 8.915 1.00 0.00 C ATOM 925 C GLN A 58 -12.361 8.860 10.069 1.00 0.00 C ATOM 926 O GLN A 58 -11.256 9.302 10.358 1.00 0.00 O ATOM 927 CB GLN A 58 -13.767 10.743 9.277 1.00 0.00 C ATOM 928 CG GLN A 58 -14.678 10.721 10.500 1.00 0.00 C ATOM 929 CD GLN A 58 -15.341 12.056 10.761 1.00 0.00 C ATOM 930 OE1 GLN A 58 -14.801 13.108 10.440 1.00 0.00 O ATOM 931 NE2 GLN A 58 -16.499 12.030 11.345 1.00 0.00 N ATOM 0 H GLN A 58 -15.094 8.668 8.935 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.488 9.567 8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.963 11.458 9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.338 11.109 8.424 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.446 9.960 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.097 10.432 11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.922 11.137 11.600 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.987 12.902 11.550 1.00 0.00 H new ATOM 940 N ASN A 59 -12.936 7.867 10.711 1.00 0.00 N ATOM 941 CA ASN A 59 -12.321 7.188 11.837 1.00 0.00 C ATOM 942 C ASN A 59 -11.020 6.527 11.455 1.00 0.00 C ATOM 943 O ASN A 59 -10.142 6.314 12.295 1.00 0.00 O ATOM 944 CB ASN A 59 -13.271 6.147 12.442 1.00 0.00 C ATOM 945 CG ASN A 59 -14.291 6.710 13.414 1.00 0.00 C ATOM 946 OD1 ASN A 59 -14.033 6.816 14.605 1.00 0.00 O ATOM 947 ND2 ASN A 59 -15.449 7.042 12.934 1.00 0.00 N ATOM 0 H ASN A 59 -13.856 7.502 10.465 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.108 7.953 12.584 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.800 5.643 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.679 5.390 12.956 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.174 7.403 13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.635 6.942 11.936 1.00 0.00 H new ATOM 954 N VAL A 60 -10.881 6.229 10.194 1.00 0.00 N ATOM 955 CA VAL A 60 -9.709 5.531 9.718 1.00 0.00 C ATOM 956 C VAL A 60 -8.928 6.309 8.766 1.00 0.00 C ATOM 957 O VAL A 60 -7.740 6.053 8.636 1.00 0.00 O ATOM 958 CB VAL A 60 -10.074 4.241 8.973 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.637 3.312 9.883 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.081 4.473 7.877 1.00 0.00 C ATOM 0 H VAL A 60 -11.564 6.457 9.471 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.135 5.334 10.624 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.153 3.863 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.896 2.395 9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.914 3.086 10.667 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.535 3.739 10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.304 3.528 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.996 4.884 8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.673 5.176 7.151 1.00 0.00 H new ATOM 970 N TYR A 61 -9.592 7.286 8.155 1.00 0.00 N ATOM 971 CA TYR A 61 -9.137 7.883 6.896 1.00 0.00 C ATOM 972 C TYR A 61 -7.603 7.963 6.731 1.00 0.00 C ATOM 973 O TYR A 61 -6.904 8.721 7.410 1.00 0.00 O ATOM 974 CB TYR A 61 -9.876 9.179 6.501 1.00 0.00 C ATOM 975 CG TYR A 61 -9.329 10.462 7.033 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.320 11.099 6.351 1.00 0.00 C ATOM 977 CD2 TYR A 61 -9.831 11.046 8.168 1.00 0.00 C ATOM 978 CE1 TYR A 61 -7.811 12.298 6.784 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.334 12.245 8.625 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.325 12.870 7.928 1.00 0.00 C ATOM 981 OH TYR A 61 -7.835 14.074 8.375 1.00 0.00 O ATOM 0 H TYR A 61 -10.458 7.687 8.514 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.444 7.153 6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.890 9.242 5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.912 9.091 6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.919 10.647 5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.627 10.558 8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.019 12.786 6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.733 12.692 9.524 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.307 14.336 9.193 1.00 0.00 H new ATOM 991 N PRO A 62 -7.074 7.043 5.939 1.00 0.00 N ATOM 992 CA PRO A 62 -5.686 7.006 5.614 1.00 0.00 C ATOM 993 C PRO A 62 -5.354 8.077 4.623 1.00 0.00 C ATOM 994 O PRO A 62 -5.697 7.992 3.459 1.00 0.00 O ATOM 995 CB PRO A 62 -5.443 5.628 5.009 1.00 0.00 C ATOM 996 CG PRO A 62 -6.788 5.044 4.764 1.00 0.00 C ATOM 997 CD PRO A 62 -7.823 5.974 5.335 1.00 0.00 C ATOM 0 HA PRO A 62 -5.061 7.177 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.876 5.704 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.863 5.001 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.952 4.905 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.865 4.061 5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.488 6.349 4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.447 5.466 6.070 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.778 9.100 5.133 1.00 0.00 N ATOM 1006 CA GLY A 63 -4.319 10.214 4.338 1.00 0.00 C ATOM 1007 C GLY A 63 -3.060 9.882 3.529 1.00 0.00 C ATOM 1008 O GLY A 63 -2.896 8.745 3.070 1.00 0.00 O ATOM 0 H GLY A 63 -4.601 9.205 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.113 10.521 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.113 11.062 4.992 1.00 0.00 H new ATOM 1012 N PRO A 64 -2.139 10.853 3.362 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.917 10.667 2.566 1.00 0.00 C ATOM 1014 C PRO A 64 -0.075 9.497 3.059 1.00 0.00 C ATOM 1015 O PRO A 64 0.161 9.338 4.272 1.00 0.00 O ATOM 1016 CB PRO A 64 -0.158 11.988 2.740 1.00 0.00 C ATOM 1017 CG PRO A 64 -1.204 12.971 3.128 1.00 0.00 C ATOM 1018 CD PRO A 64 -2.203 12.201 3.945 1.00 0.00 C ATOM 0 HA PRO A 64 -1.147 10.433 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.612 11.905 3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.341 12.283 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.776 13.791 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.674 13.411 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.941 12.196 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.203 12.628 3.866 1.00 0.00 H new ATOM 1026 N ILE A 65 0.353 8.694 2.124 1.00 0.00 N ATOM 1027 CA ILE A 65 1.123 7.502 2.375 1.00 0.00 C ATOM 1028 C ILE A 65 2.442 7.852 3.031 1.00 0.00 C ATOM 1029 O ILE A 65 3.266 8.530 2.433 1.00 0.00 O ATOM 1030 CB ILE A 65 1.442 6.767 1.053 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.166 6.517 0.255 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.158 5.456 1.345 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.402 6.002 -1.140 1.00 0.00 C ATOM 0 H ILE A 65 0.171 8.855 1.133 1.00 0.00 H new ATOM 0 HA ILE A 65 0.528 6.864 3.028 1.00 0.00 H new ATOM 0 HB ILE A 65 2.098 7.397 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.453 5.800 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.401 7.446 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.379 4.945 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.088 5.660 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.520 4.823 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.555 5.851 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.993 6.727 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.940 5.055 -1.092 1.00 0.00 H new ATOM 1045 N ASP A 66 2.604 7.430 4.259 1.00 0.00 N ATOM 1046 CA ASP A 66 3.863 7.568 4.964 1.00 0.00 C ATOM 1047 C ASP A 66 4.612 6.284 4.876 1.00 0.00 C ATOM 1048 O ASP A 66 4.161 5.249 5.368 1.00 0.00 O ATOM 1049 CB ASP A 66 3.672 7.958 6.435 1.00 0.00 C ATOM 1050 CG ASP A 66 4.957 7.774 7.229 1.00 0.00 C ATOM 1051 OD1 ASP A 66 5.964 8.427 6.902 1.00 0.00 O ATOM 1052 OD2 ASP A 66 4.990 6.944 8.151 1.00 0.00 O ATOM 0 H ASP A 66 1.868 6.980 4.803 1.00 0.00 H new ATOM 0 HA ASP A 66 4.424 8.373 4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.349 8.997 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.881 7.351 6.874 1.00 0.00 H new ATOM 1057 N ASN A 67 5.706 6.326 4.201 1.00 0.00 N ATOM 1058 CA ASN A 67 6.541 5.165 4.055 1.00 0.00 C ATOM 1059 C ASN A 67 7.563 5.072 5.159 1.00 0.00 C ATOM 1060 O ASN A 67 8.091 3.997 5.393 1.00 0.00 O ATOM 1061 CB ASN A 67 7.272 5.170 2.707 1.00 0.00 C ATOM 1062 CG ASN A 67 6.371 5.014 1.493 1.00 0.00 C ATOM 1063 OD1 ASN A 67 6.662 5.527 0.429 1.00 0.00 O ATOM 1064 ND2 ASN A 67 5.292 4.291 1.633 1.00 0.00 N ATOM 0 H ASN A 67 6.056 7.161 3.731 1.00 0.00 H new ATOM 0 HA ASN A 67 5.879 4.301 4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.826 6.104 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.005 4.363 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.669 4.145 0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.072 3.872 2.537 1.00 0.00 H new ATOM 1071 N SER A 68 7.767 6.174 5.898 1.00 0.00 N ATOM 1072 CA SER A 68 8.895 6.328 6.859 1.00 0.00 C ATOM 1073 C SER A 68 9.025 5.195 7.899 1.00 0.00 C ATOM 1074 O SER A 68 10.095 5.008 8.477 1.00 0.00 O ATOM 1075 CB SER A 68 8.793 7.666 7.573 1.00 0.00 C ATOM 1076 OG SER A 68 8.529 8.701 6.640 1.00 0.00 O ATOM 0 H SER A 68 7.158 6.991 5.853 1.00 0.00 H new ATOM 0 HA SER A 68 9.798 6.276 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.000 7.628 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.721 7.874 8.105 1.00 0.00 H new ATOM 0 HG SER A 68 7.616 9.033 6.769 1.00 0.00 H new ATOM 1082 N GLY A 69 7.976 4.423 8.098 1.00 0.00 N ATOM 1083 CA GLY A 69 8.012 3.357 9.075 1.00 0.00 C ATOM 1084 C GLY A 69 8.786 2.131 8.596 1.00 0.00 C ATOM 1085 O GLY A 69 8.941 1.159 9.341 1.00 0.00 O ATOM 0 H GLY A 69 7.092 4.514 7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.465 3.729 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.992 3.062 9.320 1.00 0.00 H new ATOM 1089 N LEU A 70 9.262 2.164 7.361 1.00 0.00 N ATOM 1090 CA LEU A 70 10.006 1.036 6.798 1.00 0.00 C ATOM 1091 C LEU A 70 11.468 1.400 6.701 1.00 0.00 C ATOM 1092 O LEU A 70 12.354 0.546 6.526 1.00 0.00 O ATOM 1093 CB LEU A 70 9.513 0.774 5.386 1.00 0.00 C ATOM 1094 CG LEU A 70 8.021 0.645 5.204 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.705 0.527 3.733 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.488 -0.540 5.990 1.00 0.00 C ATOM 0 H LEU A 70 9.150 2.955 6.727 1.00 0.00 H new ATOM 0 HA LEU A 70 9.865 0.162 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.865 1.583 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.980 -0.143 5.027 1.00 0.00 H new ATOM 0 HG LEU A 70 7.527 1.536 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.627 0.434 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.060 1.416 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.199 -0.354 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.410 -0.617 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.967 -1.454 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.704 -0.401 7.049 1.00 0.00 H new ATOM 1108 N LEU A 71 11.693 2.672 6.777 1.00 0.00 N ATOM 1109 CA LEU A 71 12.947 3.263 6.577 1.00 0.00 C ATOM 1110 C LEU A 71 13.792 3.242 7.825 1.00 0.00 C ATOM 1111 O LEU A 71 13.297 3.017 8.933 1.00 0.00 O ATOM 1112 CB LEU A 71 12.721 4.687 6.093 1.00 0.00 C ATOM 1113 CG LEU A 71 12.153 4.884 4.667 1.00 0.00 C ATOM 1114 CD1 LEU A 71 13.108 4.420 3.620 1.00 0.00 C ATOM 1115 CD2 LEU A 71 10.859 4.199 4.415 1.00 0.00 C ATOM 0 H LEU A 71 10.960 3.348 6.992 1.00 0.00 H new ATOM 0 HA LEU A 71 13.499 2.691 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.043 5.175 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.673 5.215 6.150 1.00 0.00 H new ATOM 0 HG LEU A 71 11.990 5.960 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.671 4.576 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.037 4.985 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.316 3.359 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.538 4.393 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.981 3.126 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.107 4.575 5.108 1.00 0.00 H new ATOM 1127 N LYS A 72 15.058 3.466 7.624 1.00 0.00 N ATOM 1128 CA LYS A 72 16.050 3.459 8.659 1.00 0.00 C ATOM 1129 C LYS A 72 16.003 4.682 9.545 1.00 0.00 C ATOM 1130 O LYS A 72 15.180 5.584 9.362 1.00 0.00 O ATOM 1131 CB LYS A 72 17.418 3.312 8.054 1.00 0.00 C ATOM 1132 CG LYS A 72 17.795 1.907 7.721 1.00 0.00 C ATOM 1133 CD LYS A 72 19.148 1.883 7.084 1.00 0.00 C ATOM 1134 CE LYS A 72 19.781 0.561 7.310 1.00 0.00 C ATOM 1135 NZ LYS A 72 21.077 0.448 6.609 1.00 0.00 N ATOM 0 H LYS A 72 15.442 3.666 6.700 1.00 0.00 H new ATOM 0 HA LYS A 72 15.827 2.606 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.468 3.914 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.154 3.719 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.798 1.298 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.057 1.473 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.061 2.078 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.772 2.673 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.931 0.407 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.111 -0.227 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.489 -0.489 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.930 0.570 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.725 1.184 6.956 1.00 0.00 H new ATOM 1149 N ASP A 73 16.948 4.745 10.456 1.00 0.00 N ATOM 1150 CA ASP A 73 16.972 5.792 11.504 1.00 0.00 C ATOM 1151 C ASP A 73 17.633 7.076 11.031 1.00 0.00 C ATOM 1152 O ASP A 73 18.268 7.797 11.823 1.00 0.00 O ATOM 1153 CB ASP A 73 17.669 5.290 12.780 1.00 0.00 C ATOM 1154 CG ASP A 73 16.984 4.114 13.432 1.00 0.00 C ATOM 1155 OD1 ASP A 73 15.978 4.312 14.152 1.00 0.00 O ATOM 1156 OD2 ASP A 73 17.460 2.968 13.259 1.00 0.00 O ATOM 0 H ASP A 73 17.725 4.086 10.509 1.00 0.00 H new ATOM 0 HA ASP A 73 15.930 6.017 11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.694 5.011 12.536 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.724 6.109 13.498 1.00 0.00 H new ATOM 1161 N GLY A 74 17.447 7.405 9.784 1.00 0.00 N ATOM 1162 CA GLY A 74 18.020 8.606 9.265 1.00 0.00 C ATOM 1163 C GLY A 74 17.450 8.996 7.930 1.00 0.00 C ATOM 1164 O GLY A 74 16.707 9.977 7.820 1.00 0.00 O ATOM 0 H GLY A 74 16.905 6.859 9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.857 9.417 9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.098 8.477 9.171 1.00 0.00 H new ATOM 1168 N ASP A 75 17.761 8.220 6.932 1.00 0.00 N ATOM 1169 CA ASP A 75 17.337 8.490 5.572 1.00 0.00 C ATOM 1170 C ASP A 75 15.976 7.923 5.291 1.00 0.00 C ATOM 1171 O ASP A 75 15.666 6.792 5.656 1.00 0.00 O ATOM 1172 CB ASP A 75 18.327 7.933 4.550 1.00 0.00 C ATOM 1173 CG ASP A 75 19.604 8.714 4.425 1.00 0.00 C ATOM 1174 OD1 ASP A 75 19.628 9.712 3.663 1.00 0.00 O ATOM 1175 OD2 ASP A 75 20.622 8.342 5.076 1.00 0.00 O ATOM 0 H ASP A 75 18.320 7.373 7.031 1.00 0.00 H new ATOM 0 HA ASP A 75 17.298 9.575 5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.570 6.906 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.841 7.898 3.575 1.00 0.00 H new ATOM 1180 N ALA A 76 15.190 8.690 4.581 1.00 0.00 N ATOM 1181 CA ALA A 76 13.829 8.326 4.217 1.00 0.00 C ATOM 1182 C ALA A 76 13.814 7.537 2.941 1.00 0.00 C ATOM 1183 O ALA A 76 12.758 7.213 2.414 1.00 0.00 O ATOM 1184 CB ALA A 76 13.017 9.557 4.007 1.00 0.00 C ATOM 0 H ALA A 76 15.475 9.604 4.229 1.00 0.00 H new ATOM 0 HA ALA A 76 13.414 7.725 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.999 9.279 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.000 10.143 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.457 10.151 3.206 1.00 0.00 H new ATOM 1190 N GLN A 77 14.972 7.265 2.417 1.00 0.00 N ATOM 1191 CA GLN A 77 15.071 6.468 1.219 1.00 0.00 C ATOM 1192 C GLN A 77 15.848 5.234 1.499 1.00 0.00 C ATOM 1193 O GLN A 77 16.021 4.374 0.647 1.00 0.00 O ATOM 1194 CB GLN A 77 15.714 7.256 0.142 1.00 0.00 C ATOM 1195 CG GLN A 77 15.060 8.594 -0.083 1.00 0.00 C ATOM 1196 CD GLN A 77 13.662 8.592 -0.756 1.00 0.00 C ATOM 1197 OE1 GLN A 77 13.374 9.493 -1.502 1.00 0.00 O ATOM 1198 NE2 GLN A 77 12.762 7.700 -0.401 1.00 0.00 N ATOM 0 H GLN A 77 15.865 7.581 2.796 1.00 0.00 H new ATOM 0 HA GLN A 77 14.072 6.183 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.764 7.409 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.685 6.684 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.971 9.093 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.729 9.199 -0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.018 6.941 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.809 7.767 -0.758 1.00 0.00 H new ATOM 1207 N SER A 78 16.280 5.142 2.701 1.00 0.00 N ATOM 1208 CA SER A 78 17.051 3.998 3.127 1.00 0.00 C ATOM 1209 C SER A 78 16.193 3.018 3.898 1.00 0.00 C ATOM 1210 O SER A 78 15.776 3.292 5.016 1.00 0.00 O ATOM 1211 CB SER A 78 18.237 4.429 3.945 1.00 0.00 C ATOM 1212 OG SER A 78 19.078 5.281 3.190 1.00 0.00 O ATOM 0 H SER A 78 16.120 5.843 3.425 1.00 0.00 H new ATOM 0 HA SER A 78 17.418 3.490 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.898 4.946 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.797 3.553 4.273 1.00 0.00 H new ATOM 0 HG SER A 78 19.844 5.554 3.737 1.00 0.00 H new ATOM 1218 N LEU A 79 15.915 1.896 3.282 1.00 0.00 N ATOM 1219 CA LEU A 79 15.084 0.860 3.878 1.00 0.00 C ATOM 1220 C LEU A 79 15.819 0.127 4.963 1.00 0.00 C ATOM 1221 O LEU A 79 17.057 0.073 4.967 1.00 0.00 O ATOM 1222 CB LEU A 79 14.680 -0.170 2.835 1.00 0.00 C ATOM 1223 CG LEU A 79 13.717 0.266 1.750 1.00 0.00 C ATOM 1224 CD1 LEU A 79 13.537 -0.878 0.780 1.00 0.00 C ATOM 1225 CD2 LEU A 79 12.371 0.658 2.357 1.00 0.00 C ATOM 0 H LEU A 79 16.257 1.667 2.349 1.00 0.00 H new ATOM 0 HA LEU A 79 14.207 1.361 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.588 -0.532 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.236 -1.018 3.356 1.00 0.00 H new ATOM 0 HG LEU A 79 14.119 1.136 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.846 -0.581 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.500 -1.137 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.135 -1.743 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.691 0.969 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.947 -0.196 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.513 1.482 3.056 1.00 0.00 H new ATOM 1237 N LYS A 80 15.085 -0.420 5.895 1.00 0.00 N ATOM 1238 CA LYS A 80 15.686 -1.299 6.844 1.00 0.00 C ATOM 1239 C LYS A 80 15.884 -2.668 6.204 1.00 0.00 C ATOM 1240 O LYS A 80 15.305 -2.978 5.145 1.00 0.00 O ATOM 1241 CB LYS A 80 14.892 -1.413 8.131 1.00 0.00 C ATOM 1242 CG LYS A 80 14.841 -0.164 8.969 1.00 0.00 C ATOM 1243 CD LYS A 80 14.069 -0.430 10.238 1.00 0.00 C ATOM 1244 CE LYS A 80 13.969 0.800 11.104 1.00 0.00 C ATOM 1245 NZ LYS A 80 13.221 0.527 12.344 1.00 0.00 N ATOM 0 H LYS A 80 14.083 -0.271 6.012 1.00 0.00 H new ATOM 0 HA LYS A 80 16.651 -0.876 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.872 -1.707 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.319 -2.216 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.852 0.165 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.369 0.642 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.068 -0.780 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.555 -1.229 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.970 1.154 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.477 1.598 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.171 1.394 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.259 0.212 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.705 -0.218 12.885 1.00 0.00 H new ATOM 1259 N GLU A 81 16.665 -3.462 6.844 1.00 0.00 N ATOM 1260 CA GLU A 81 17.107 -4.734 6.308 1.00 0.00 C ATOM 1261 C GLU A 81 16.093 -5.873 6.498 1.00 0.00 C ATOM 1262 O GLU A 81 15.598 -6.451 5.530 1.00 0.00 O ATOM 1263 CB GLU A 81 18.401 -5.102 6.998 1.00 0.00 C ATOM 1264 CG GLU A 81 19.495 -4.075 6.846 1.00 0.00 C ATOM 1265 CD GLU A 81 20.648 -4.361 7.753 1.00 0.00 C ATOM 1266 OE1 GLU A 81 21.384 -5.334 7.504 1.00 0.00 O ATOM 1267 OE2 GLU A 81 20.845 -3.611 8.733 1.00 0.00 O ATOM 0 H GLU A 81 17.031 -3.258 7.774 1.00 0.00 H new ATOM 0 HA GLU A 81 17.230 -4.613 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.204 -5.253 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.754 -6.054 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.840 -4.060 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.097 -3.084 7.064 1.00 0.00 H new ATOM 1274 N HIS A 82 15.753 -6.143 7.744 1.00 0.00 N ATOM 1275 CA HIS A 82 14.995 -7.354 8.136 1.00 0.00 C ATOM 1276 C HIS A 82 13.498 -7.364 7.811 1.00 0.00 C ATOM 1277 O HIS A 82 12.754 -8.214 8.312 1.00 0.00 O ATOM 1278 CB HIS A 82 15.263 -7.742 9.592 1.00 0.00 C ATOM 1279 CG HIS A 82 16.659 -8.246 9.819 1.00 0.00 C ATOM 1280 ND1 HIS A 82 17.422 -7.904 10.901 1.00 0.00 N ATOM 1281 CD2 HIS A 82 17.420 -9.093 9.089 1.00 0.00 C ATOM 1282 CE1 HIS A 82 18.584 -8.507 10.832 1.00 0.00 C ATOM 1283 NE2 HIS A 82 18.607 -9.233 9.745 1.00 0.00 N ATOM 0 H HIS A 82 15.988 -5.536 8.529 1.00 0.00 H new ATOM 0 HA HIS A 82 15.397 -8.125 7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.087 -6.877 10.231 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.552 -8.511 9.894 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.140 -9.569 8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.386 -8.419 11.551 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.388 -9.812 9.437 1.00 0.00 H new ATOM 1292 N LEU A 83 13.054 -6.446 7.008 1.00 0.00 N ATOM 1293 CA LEU A 83 11.673 -6.417 6.577 1.00 0.00 C ATOM 1294 C LEU A 83 11.373 -7.510 5.555 1.00 0.00 C ATOM 1295 O LEU A 83 12.275 -8.168 5.030 1.00 0.00 O ATOM 1296 CB LEU A 83 11.281 -5.043 6.021 1.00 0.00 C ATOM 1297 CG LEU A 83 11.093 -3.911 7.039 1.00 0.00 C ATOM 1298 CD1 LEU A 83 12.356 -3.588 7.764 1.00 0.00 C ATOM 1299 CD2 LEU A 83 10.544 -2.678 6.380 1.00 0.00 C ATOM 0 H LEU A 83 13.630 -5.694 6.629 1.00 0.00 H new ATOM 0 HA LEU A 83 11.068 -6.610 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.046 -4.735 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.351 -5.155 5.463 1.00 0.00 H new ATOM 0 HG LEU A 83 10.372 -4.268 7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.172 -2.781 8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.703 -4.471 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.117 -3.276 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.421 -1.892 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.234 -2.341 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.578 -2.906 5.929 1.00 0.00 H new ATOM 1311 N ILE A 84 10.110 -7.678 5.298 1.00 0.00 N ATOM 1312 CA ILE A 84 9.553 -8.668 4.404 1.00 0.00 C ATOM 1313 C ILE A 84 8.483 -7.956 3.622 1.00 0.00 C ATOM 1314 O ILE A 84 8.158 -6.842 3.996 1.00 0.00 O ATOM 1315 CB ILE A 84 8.946 -9.853 5.244 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.055 -10.587 5.992 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.146 -10.823 4.392 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.568 -11.772 6.755 1.00 0.00 C ATOM 0 H ILE A 84 9.392 -7.096 5.729 1.00 0.00 H new ATOM 0 HA ILE A 84 10.303 -9.095 3.738 1.00 0.00 H new ATOM 0 HB ILE A 84 8.251 -9.417 5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.813 -10.910 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.539 -9.894 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.751 -11.620 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.321 -10.294 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.792 -11.253 3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.407 -12.248 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.831 -11.452 7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.109 -12.483 6.068 1.00 0.00 H new ATOM 1330 N ASP A 85 7.990 -8.576 2.533 1.00 0.00 N ATOM 1331 CA ASP A 85 6.902 -8.063 1.625 1.00 0.00 C ATOM 1332 C ASP A 85 5.598 -7.756 2.461 1.00 0.00 C ATOM 1333 O ASP A 85 5.732 -7.300 3.561 1.00 0.00 O ATOM 1334 CB ASP A 85 6.714 -9.132 0.513 1.00 0.00 C ATOM 1335 CG ASP A 85 5.706 -8.832 -0.626 1.00 0.00 C ATOM 1336 OD1 ASP A 85 5.087 -7.769 -0.647 1.00 0.00 O ATOM 1337 OD2 ASP A 85 5.538 -9.706 -1.530 1.00 0.00 O ATOM 0 H ASP A 85 8.341 -9.486 2.234 1.00 0.00 H new ATOM 0 HA ASP A 85 7.158 -7.115 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.687 -9.314 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.408 -10.062 0.993 1.00 0.00 H new ATOM 1342 N GLU A 86 4.363 -8.016 1.948 1.00 0.00 N ATOM 1343 CA GLU A 86 3.027 -7.622 2.588 1.00 0.00 C ATOM 1344 C GLU A 86 2.929 -7.752 4.130 1.00 0.00 C ATOM 1345 O GLU A 86 2.047 -7.156 4.762 1.00 0.00 O ATOM 1346 CB GLU A 86 1.835 -8.342 1.968 1.00 0.00 C ATOM 1347 CG GLU A 86 1.806 -9.828 2.216 1.00 0.00 C ATOM 1348 CD GLU A 86 0.461 -10.436 1.913 1.00 0.00 C ATOM 1349 OE1 GLU A 86 0.219 -10.850 0.762 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -0.393 -10.509 2.829 1.00 0.00 O ATOM 0 H GLU A 86 4.241 -8.512 1.065 1.00 0.00 H new ATOM 0 HA GLU A 86 2.992 -6.556 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.917 -7.903 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.839 -8.166 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.566 -10.311 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.064 -10.025 3.256 1.00 0.00 H new ATOM 1357 N LEU A 87 3.796 -8.510 4.692 1.00 0.00 N ATOM 1358 CA LEU A 87 3.915 -8.674 6.116 1.00 0.00 C ATOM 1359 C LEU A 87 4.406 -7.378 6.765 1.00 0.00 C ATOM 1360 O LEU A 87 3.755 -6.844 7.673 1.00 0.00 O ATOM 1361 CB LEU A 87 4.919 -9.780 6.418 1.00 0.00 C ATOM 1362 CG LEU A 87 4.674 -11.106 5.721 1.00 0.00 C ATOM 1363 CD1 LEU A 87 5.492 -12.200 6.361 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.200 -11.447 5.701 1.00 0.00 C ATOM 0 H LEU A 87 4.474 -9.060 4.164 1.00 0.00 H new ATOM 0 HA LEU A 87 2.935 -8.931 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.913 -9.426 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.927 -9.953 7.494 1.00 0.00 H new ATOM 0 HG LEU A 87 4.996 -11.014 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.303 -13.143 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.551 -11.953 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.214 -12.296 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.054 -12.402 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.829 -11.517 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.654 -10.668 5.169 1.00 0.00 H new ATOM 1376 N ASP A 88 5.530 -6.863 6.274 1.00 0.00 N ATOM 1377 CA ASP A 88 6.157 -5.684 6.883 1.00 0.00 C ATOM 1378 C ASP A 88 5.997 -4.462 5.994 1.00 0.00 C ATOM 1379 O ASP A 88 5.877 -3.347 6.465 1.00 0.00 O ATOM 1380 CB ASP A 88 7.640 -5.924 7.155 1.00 0.00 C ATOM 1381 CG ASP A 88 8.050 -5.379 8.508 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.033 -4.153 8.716 1.00 0.00 O ATOM 1383 OD2 ASP A 88 8.376 -6.191 9.403 1.00 0.00 O ATOM 0 H ASP A 88 6.025 -7.236 5.464 1.00 0.00 H new ATOM 0 HA ASP A 88 5.651 -5.504 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.851 -6.993 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.236 -5.450 6.375 1.00 0.00 H new ATOM 1388 N TYR A 89 5.953 -4.683 4.725 1.00 0.00 N ATOM 1389 CA TYR A 89 5.749 -3.610 3.746 1.00 0.00 C ATOM 1390 C TYR A 89 4.897 -4.202 2.718 1.00 0.00 C ATOM 1391 O TYR A 89 4.320 -5.183 3.003 1.00 0.00 O ATOM 1392 CB TYR A 89 7.080 -3.001 3.180 1.00 0.00 C ATOM 1393 CG TYR A 89 8.084 -3.946 2.561 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.827 -4.572 1.361 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.289 -4.194 3.184 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.743 -5.433 0.785 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.225 -5.051 2.618 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.945 -5.667 1.417 1.00 0.00 C ATOM 1399 OH TYR A 89 10.871 -6.522 0.845 1.00 0.00 O ATOM 0 H TYR A 89 6.055 -5.609 4.311 1.00 0.00 H new ATOM 0 HA TYR A 89 5.280 -2.741 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.814 -2.257 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.577 -2.471 3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.889 -4.386 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.509 -3.715 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.518 -5.918 -0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.166 -5.233 3.116 1.00 0.00 H new ATOM 0 HH TYR A 89 11.664 -6.576 1.418 1.00 0.00 H new ATOM 1409 N ILE A 90 4.690 -3.611 1.600 1.00 0.00 N ATOM 1410 CA ILE A 90 3.965 -4.291 0.582 1.00 0.00 C ATOM 1411 C ILE A 90 4.507 -3.932 -0.723 1.00 0.00 C ATOM 1412 O ILE A 90 4.845 -2.799 -0.947 1.00 0.00 O ATOM 1413 CB ILE A 90 2.471 -3.962 0.566 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.857 -3.978 1.954 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.738 -4.894 -0.352 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.411 -4.154 1.943 1.00 0.00 C ATOM 0 H ILE A 90 5.006 -2.670 1.364 1.00 0.00 H new ATOM 0 HA ILE A 90 4.073 -5.354 0.797 1.00 0.00 H new ATOM 0 HB ILE A 90 2.371 -2.944 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.309 -4.782 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.098 -3.044 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.677 -4.646 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.133 -4.794 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.871 -5.920 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.037 -4.156 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.051 -3.336 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.163 -5.101 1.464 1.00 0.00 H new ATOM 1428 N LEU A 91 4.570 -4.886 -1.565 1.00 0.00 N ATOM 1429 CA LEU A 91 5.007 -4.692 -2.895 1.00 0.00 C ATOM 1430 C LEU A 91 3.871 -4.774 -3.838 1.00 0.00 C ATOM 1431 O LEU A 91 3.033 -5.672 -3.764 1.00 0.00 O ATOM 1432 CB LEU A 91 6.114 -5.635 -3.264 1.00 0.00 C ATOM 1433 CG LEU A 91 7.426 -5.316 -2.604 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.417 -6.346 -2.893 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.951 -4.015 -3.101 1.00 0.00 C ATOM 0 H LEU A 91 4.314 -5.849 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 91 5.423 -3.687 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.820 -6.649 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.248 -5.618 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 91 7.250 -5.267 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.358 -6.093 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.062 -7.307 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.573 -6.409 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.902 -3.797 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.100 -4.071 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.237 -3.224 -2.874 1.00 0.00 H new ATOM 1447 N LEU A 92 3.824 -3.822 -4.686 1.00 0.00 N ATOM 1448 CA LEU A 92 2.774 -3.692 -5.661 1.00 0.00 C ATOM 1449 C LEU A 92 3.409 -3.210 -6.914 1.00 0.00 C ATOM 1450 O LEU A 92 4.493 -2.637 -6.852 1.00 0.00 O ATOM 1451 CB LEU A 92 1.683 -2.661 -5.248 1.00 0.00 C ATOM 1452 CG LEU A 92 1.095 -2.761 -3.845 1.00 0.00 C ATOM 1453 CD1 LEU A 92 2.024 -2.132 -2.853 1.00 0.00 C ATOM 1454 CD2 LEU A 92 -0.267 -2.122 -3.774 1.00 0.00 C ATOM 0 H LEU A 92 4.525 -3.083 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 92 2.282 -4.659 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.107 -1.663 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.862 -2.741 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 92 0.977 -3.817 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.595 -2.208 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.984 -2.647 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.170 -1.082 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.658 -2.211 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.189 -1.068 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.941 -2.624 -4.468 1.00 0.00 H new ATOM 1466 N PRO A 93 2.797 -3.444 -8.068 1.00 0.00 N ATOM 1467 CA PRO A 93 3.291 -2.912 -9.321 1.00 0.00 C ATOM 1468 C PRO A 93 3.294 -1.401 -9.282 1.00 0.00 C ATOM 1469 O PRO A 93 2.675 -0.784 -8.375 1.00 0.00 O ATOM 1470 CB PRO A 93 2.260 -3.357 -10.352 1.00 0.00 C ATOM 1471 CG PRO A 93 1.569 -4.499 -9.743 1.00 0.00 C ATOM 1472 CD PRO A 93 1.592 -4.256 -8.259 1.00 0.00 C ATOM 0 HA PRO A 93 4.304 -3.252 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.562 -2.552 -10.582 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.739 -3.641 -11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.545 -4.576 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.068 -5.435 -9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.697 -3.732 -7.923 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.644 -5.190 -7.699 1.00 0.00 H new ATOM 1480 N THR A 94 3.945 -0.813 -10.249 1.00 0.00 N ATOM 1481 CA THR A 94 3.997 0.612 -10.418 1.00 0.00 C ATOM 1482 C THR A 94 2.581 1.206 -10.360 1.00 0.00 C ATOM 1483 O THR A 94 2.339 2.197 -9.680 1.00 0.00 O ATOM 1484 CB THR A 94 4.613 0.888 -11.780 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.870 0.191 -11.881 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.816 2.367 -12.016 1.00 0.00 C ATOM 0 H THR A 94 4.467 -1.326 -10.959 1.00 0.00 H new ATOM 0 HA THR A 94 4.589 1.067 -9.624 1.00 0.00 H new ATOM 0 HB THR A 94 3.925 0.530 -12.546 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.271 0.365 -12.758 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.258 2.521 -13.000 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.855 2.879 -11.966 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.482 2.769 -11.252 1.00 0.00 H new ATOM 1494 N GLU A 95 1.657 0.516 -11.019 1.00 0.00 N ATOM 1495 CA GLU A 95 0.256 0.900 -11.099 1.00 0.00 C ATOM 1496 C GLU A 95 -0.329 0.981 -9.724 1.00 0.00 C ATOM 1497 O GLU A 95 -0.947 1.955 -9.399 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.525 -0.149 -11.868 1.00 0.00 C ATOM 1499 CG GLU A 95 0.146 -0.613 -13.112 1.00 0.00 C ATOM 1500 CD GLU A 95 0.335 0.474 -14.125 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -0.614 0.738 -14.883 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.433 1.081 -14.178 1.00 0.00 O ATOM 0 H GLU A 95 1.868 -0.345 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 95 0.195 1.866 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.697 -1.007 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.503 0.257 -12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.118 -1.035 -12.856 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.443 -1.416 -13.556 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.124 -0.082 -8.929 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.635 -0.136 -7.582 1.00 0.00 C ATOM 1511 C GLY A 96 -0.279 1.091 -6.811 1.00 0.00 C ATOM 1512 O GLY A 96 -1.155 1.825 -6.383 1.00 0.00 O ATOM 0 H GLY A 96 0.397 -0.911 -9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.719 -0.249 -7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.235 -1.014 -7.075 1.00 0.00 H new ATOM 1516 N TRP A 97 1.004 1.344 -6.715 1.00 0.00 N ATOM 1517 CA TRP A 97 1.530 2.514 -6.058 1.00 0.00 C ATOM 1518 C TRP A 97 0.917 3.797 -6.646 1.00 0.00 C ATOM 1519 O TRP A 97 0.436 4.648 -5.904 1.00 0.00 O ATOM 1520 CB TRP A 97 3.028 2.508 -6.242 1.00 0.00 C ATOM 1521 CG TRP A 97 3.680 3.714 -5.732 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.091 4.766 -6.461 1.00 0.00 C ATOM 1523 CD2 TRP A 97 3.969 4.000 -4.384 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.628 5.717 -5.646 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.570 5.259 -4.347 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.775 3.304 -3.202 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 4.981 5.843 -3.157 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.176 3.873 -2.031 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.774 5.131 -2.009 1.00 0.00 C ATOM 0 H TRP A 97 1.724 0.731 -7.098 1.00 0.00 H new ATOM 0 HA TRP A 97 1.277 2.494 -4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.445 1.637 -5.737 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.256 2.401 -7.303 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.008 4.846 -7.535 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.008 6.615 -5.946 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.314 2.327 -3.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.445 6.818 -3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 4.028 3.340 -1.104 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.081 5.553 -1.063 1.00 0.00 H new ATOM 1540 N ASN A 98 0.930 3.907 -7.974 1.00 0.00 N ATOM 1541 CA ASN A 98 0.342 5.051 -8.692 1.00 0.00 C ATOM 1542 C ASN A 98 -1.096 5.268 -8.340 1.00 0.00 C ATOM 1543 O ASN A 98 -1.557 6.390 -8.351 1.00 0.00 O ATOM 1544 CB ASN A 98 0.458 4.936 -10.219 1.00 0.00 C ATOM 1545 CG ASN A 98 1.868 5.080 -10.740 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.718 5.726 -10.124 1.00 0.00 O ATOM 1547 ND2 ASN A 98 2.119 4.518 -11.892 1.00 0.00 N ATOM 0 H ASN A 98 1.348 3.208 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 98 0.931 5.907 -8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.063 3.969 -10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.168 5.700 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.045 4.606 -12.312 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.389 3.991 -12.372 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.811 4.209 -8.022 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.168 4.314 -7.649 1.00 0.00 C ATOM 1556 C LYS A 99 -3.260 4.905 -6.278 1.00 0.00 C ATOM 1557 O LYS A 99 -3.907 5.917 -6.092 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.793 2.954 -7.714 1.00 0.00 C ATOM 1559 CG LYS A 99 -3.865 2.437 -9.123 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.224 0.987 -9.175 1.00 0.00 C ATOM 1561 CE LYS A 99 -3.988 0.431 -10.565 1.00 0.00 C ATOM 1562 NZ LYS A 99 -4.833 1.097 -11.558 1.00 0.00 N ATOM 0 H LYS A 99 -1.447 3.256 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.708 4.971 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.217 2.260 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.797 2.995 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.603 3.012 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.904 2.589 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.629 0.433 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.270 0.855 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.939 0.556 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.193 -0.640 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.762 0.596 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.821 1.089 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.517 2.080 -11.679 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.528 4.338 -5.341 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.543 4.819 -3.972 1.00 0.00 C ATOM 1578 C LEU A 100 -2.076 6.258 -3.893 1.00 0.00 C ATOM 1579 O LEU A 100 -2.661 7.090 -3.182 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.736 3.895 -3.037 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.366 2.540 -2.701 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -3.860 2.600 -2.825 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -1.790 1.428 -3.525 1.00 0.00 C ATOM 0 H LEU A 100 -1.913 3.541 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.575 4.795 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.763 3.714 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.556 4.428 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.122 2.317 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.285 1.626 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.252 3.349 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.130 2.868 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.268 0.487 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.965 1.630 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.718 1.357 -3.342 1.00 0.00 H new ATOM 1595 N VAL A 101 -1.086 6.566 -4.676 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.569 7.867 -4.761 1.00 0.00 C ATOM 1597 C VAL A 101 -1.526 8.816 -5.518 1.00 0.00 C ATOM 1598 O VAL A 101 -1.580 10.012 -5.244 1.00 0.00 O ATOM 1599 CB VAL A 101 0.847 7.835 -5.360 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.259 9.181 -5.839 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.818 7.350 -4.307 1.00 0.00 C ATOM 0 H VAL A 101 -0.616 5.892 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.487 8.278 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 101 0.849 7.158 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.264 9.126 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.565 9.522 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.251 9.882 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.825 7.325 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.796 8.027 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.534 6.349 -3.984 1.00 0.00 H new ATOM 1611 N SER A 102 -2.308 8.295 -6.412 1.00 0.00 N ATOM 1612 CA SER A 102 -3.232 9.129 -7.123 1.00 0.00 C ATOM 1613 C SER A 102 -4.415 9.464 -6.205 1.00 0.00 C ATOM 1614 O SER A 102 -4.943 10.578 -6.222 1.00 0.00 O ATOM 1615 CB SER A 102 -3.732 8.440 -8.405 1.00 0.00 C ATOM 1616 OG SER A 102 -4.487 9.331 -9.227 1.00 0.00 O ATOM 0 H SER A 102 -2.327 7.307 -6.666 1.00 0.00 H new ATOM 0 HA SER A 102 -2.722 10.046 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.880 8.059 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.348 7.581 -8.139 1.00 0.00 H new ATOM 0 HG SER A 102 -4.786 8.859 -10.032 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.791 8.502 -5.373 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.950 8.640 -4.521 1.00 0.00 C ATOM 1624 C TRP A 103 -5.644 9.460 -3.263 1.00 0.00 C ATOM 1625 O TRP A 103 -6.384 10.391 -2.933 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.512 7.253 -4.143 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.776 6.346 -5.327 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -7.024 6.711 -6.623 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.794 4.919 -5.317 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.189 5.598 -7.404 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.053 4.489 -6.632 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.614 3.965 -4.330 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.134 3.146 -6.977 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.696 2.634 -4.675 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -6.952 2.241 -5.993 1.00 0.00 C ATOM 0 H TRP A 103 -4.301 7.613 -5.275 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.707 9.185 -5.086 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.810 6.760 -3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.441 7.389 -3.589 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.081 7.729 -6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.383 5.602 -8.405 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.413 4.258 -3.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.335 2.838 -7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.560 1.880 -3.914 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.005 1.188 -6.228 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.561 9.138 -2.576 1.00 0.00 N ATOM 1647 CA TYR A 104 -4.232 9.832 -1.327 1.00 0.00 C ATOM 1648 C TYR A 104 -2.841 10.421 -1.294 1.00 0.00 C ATOM 1649 O TYR A 104 -2.495 11.110 -0.327 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.431 8.925 -0.115 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.847 8.881 0.393 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.379 9.972 1.068 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.651 7.767 0.213 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.664 9.958 1.554 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -7.943 7.745 0.701 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.444 8.846 1.371 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.731 8.831 1.862 1.00 0.00 O ATOM 0 H TYR A 104 -3.899 8.412 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.930 10.668 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.118 7.914 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.778 9.263 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.769 10.851 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.264 6.908 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.057 10.818 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.560 6.870 0.560 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.109 7.933 1.761 1.00 0.00 H new ATOM 1667 N THR A 105 -2.082 10.203 -2.366 1.00 0.00 N ATOM 1668 CA THR A 105 -0.688 10.596 -2.513 1.00 0.00 C ATOM 1669 C THR A 105 0.227 10.141 -1.402 1.00 0.00 C ATOM 1670 O THR A 105 -0.157 9.528 -0.414 1.00 0.00 O ATOM 1671 CB THR A 105 -0.439 12.114 -2.955 1.00 0.00 C ATOM 1672 OG1 THR A 105 0.954 12.400 -3.238 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.977 13.117 -1.984 1.00 0.00 C ATOM 0 H THR A 105 -2.442 9.725 -3.192 1.00 0.00 H new ATOM 0 HA THR A 105 -0.385 10.012 -3.382 1.00 0.00 H new ATOM 0 HB THR A 105 -1.004 12.216 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.239 11.892 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.772 14.123 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.053 12.981 -1.880 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.498 12.978 -1.015 1.00 0.00 H new ATOM 1681 N LEU A 106 1.404 10.420 -1.632 1.00 0.00 N ATOM 1682 CA LEU A 106 2.511 10.109 -0.832 1.00 0.00 C ATOM 1683 C LEU A 106 2.794 11.328 0.032 1.00 0.00 C ATOM 1684 O LEU A 106 2.318 12.422 -0.295 1.00 0.00 O ATOM 1685 CB LEU A 106 3.637 9.886 -1.818 1.00 0.00 C ATOM 1686 CG LEU A 106 5.032 9.692 -1.260 1.00 0.00 C ATOM 1687 CD1 LEU A 106 5.125 8.436 -0.434 1.00 0.00 C ATOM 1688 CD2 LEU A 106 6.071 9.694 -2.351 1.00 0.00 C ATOM 0 H LEU A 106 1.673 10.929 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 106 2.373 9.243 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.390 9.009 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.663 10.739 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 106 5.236 10.539 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.139 8.328 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.425 8.496 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.878 7.574 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.059 9.552 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.865 8.884 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.042 10.647 -2.880 1.00 0.00 H new ATOM 1700 N MET A 107 3.517 11.173 1.133 1.00 0.00 N ATOM 1701 CA MET A 107 3.882 12.354 1.915 1.00 0.00 C ATOM 1702 C MET A 107 4.851 13.166 1.133 1.00 0.00 C ATOM 1703 O MET A 107 5.565 12.652 0.261 1.00 0.00 O ATOM 1704 CB MET A 107 4.571 12.041 3.219 1.00 0.00 C ATOM 1705 CG MET A 107 3.874 11.088 4.077 1.00 0.00 C ATOM 1706 SD MET A 107 4.738 10.867 5.613 1.00 0.00 S ATOM 1707 CE MET A 107 3.890 12.027 6.631 1.00 0.00 C ATOM 0 H MET A 107 3.853 10.281 1.497 1.00 0.00 H new ATOM 0 HA MET A 107 2.944 12.866 2.129 1.00 0.00 H new ATOM 0 HB2 MET A 107 5.565 11.650 3.002 1.00 0.00 H new ATOM 0 HB3 MET A 107 4.708 12.971 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.862 11.442 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.784 10.130 3.565 1.00 0.00 H new ATOM 0 HE1 MET A 107 4.316 12.010 7.634 1.00 0.00 H new ATOM 0 HE2 MET A 107 3.995 13.026 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 107 2.834 11.763 6.681 1.00 0.00 H new ATOM 1717 N GLU A 108 4.892 14.389 1.426 1.00 0.00 N ATOM 1718 CA GLU A 108 5.804 15.255 0.790 1.00 0.00 C ATOM 1719 C GLU A 108 7.132 15.249 1.413 1.00 0.00 C ATOM 1720 O GLU A 108 7.270 15.316 2.647 1.00 0.00 O ATOM 1721 CB GLU A 108 5.272 16.625 0.628 1.00 0.00 C ATOM 1722 CG GLU A 108 5.013 16.867 -0.789 1.00 0.00 C ATOM 1723 CD GLU A 108 4.305 18.145 -1.057 1.00 0.00 C ATOM 1724 OE1 GLU A 108 4.947 19.197 -1.146 1.00 0.00 O ATOM 1725 OE2 GLU A 108 3.076 18.123 -1.209 1.00 0.00 O ATOM 0 H GLU A 108 4.292 14.835 2.120 1.00 0.00 H new ATOM 0 HA GLU A 108 5.937 14.852 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.355 16.744 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.986 17.354 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.961 16.867 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.420 16.043 -1.187 1.00 0.00 H new ATOM 1732 N GLY A 109 8.109 15.135 0.572 1.00 0.00 N ATOM 1733 CA GLY A 109 9.436 15.107 1.009 1.00 0.00 C ATOM 1734 C GLY A 109 10.043 13.751 0.790 1.00 0.00 C ATOM 1735 O GLY A 109 11.209 13.640 0.394 1.00 0.00 O ATOM 0 H GLY A 109 7.991 15.059 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.015 15.860 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.480 15.363 2.068 1.00 0.00 H new ATOM 1739 N GLN A 110 9.247 12.707 0.991 1.00 0.00 N ATOM 1740 CA GLN A 110 9.716 11.380 0.789 1.00 0.00 C ATOM 1741 C GLN A 110 9.375 10.968 -0.619 1.00 0.00 C ATOM 1742 O GLN A 110 8.498 11.565 -1.247 1.00 0.00 O ATOM 1743 CB GLN A 110 9.112 10.410 1.806 1.00 0.00 C ATOM 1744 CG GLN A 110 7.622 10.195 1.702 1.00 0.00 C ATOM 1745 CD GLN A 110 7.059 9.338 2.818 1.00 0.00 C ATOM 1746 OE1 GLN A 110 6.129 8.585 2.622 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.531 9.508 3.992 1.00 0.00 N ATOM 0 H GLN A 110 8.275 12.775 1.294 1.00 0.00 H new ATOM 0 HA GLN A 110 10.796 11.351 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.608 9.445 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 110 9.339 10.775 2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.121 11.163 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.396 9.726 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.314 10.145 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.125 9.007 4.782 1.00 0.00 H new ATOM 1756 N GLU A 111 10.049 9.992 -1.113 1.00 0.00 N ATOM 1757 CA GLU A 111 9.865 9.544 -2.457 1.00 0.00 C ATOM 1758 C GLU A 111 9.717 8.026 -2.452 1.00 0.00 C ATOM 1759 O GLU A 111 10.223 7.370 -1.536 1.00 0.00 O ATOM 1760 CB GLU A 111 11.038 10.009 -3.338 1.00 0.00 C ATOM 1761 CG GLU A 111 11.177 11.523 -3.399 1.00 0.00 C ATOM 1762 CD GLU A 111 12.322 11.974 -4.243 1.00 0.00 C ATOM 1763 OE1 GLU A 111 13.443 12.119 -3.726 1.00 0.00 O ATOM 1764 OE2 GLU A 111 12.121 12.211 -5.447 1.00 0.00 O ATOM 0 H GLU A 111 10.755 9.471 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 111 8.959 9.977 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.964 9.581 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 111 10.902 9.622 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.254 11.951 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.304 11.911 -2.388 1.00 0.00 H new ATOM 1771 N PRO A 112 9.030 7.470 -3.466 1.00 0.00 N ATOM 1772 CA PRO A 112 8.710 6.034 -3.559 1.00 0.00 C ATOM 1773 C PRO A 112 9.863 5.149 -3.450 1.00 0.00 C ATOM 1774 O PRO A 112 10.961 5.430 -3.960 1.00 0.00 O ATOM 1775 CB PRO A 112 8.093 5.856 -4.927 1.00 0.00 C ATOM 1776 CG PRO A 112 7.704 7.222 -5.389 1.00 0.00 C ATOM 1777 CD PRO A 112 8.529 8.212 -4.624 1.00 0.00 C ATOM 0 HA PRO A 112 8.060 5.764 -2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 112 8.802 5.399 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.225 5.199 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.876 7.327 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.642 7.396 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.348 8.597 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.931 9.070 -4.315 1.00 0.00 H new ATOM 1785 N ILE A 113 9.628 4.068 -2.797 1.00 0.00 N ATOM 1786 CA ILE A 113 10.594 3.105 -2.708 1.00 0.00 C ATOM 1787 C ILE A 113 10.256 2.042 -3.709 1.00 0.00 C ATOM 1788 O ILE A 113 9.199 1.409 -3.629 1.00 0.00 O ATOM 1789 CB ILE A 113 10.780 2.459 -1.305 1.00 0.00 C ATOM 1790 CG1 ILE A 113 10.981 3.498 -0.171 1.00 0.00 C ATOM 1791 CG2 ILE A 113 12.029 1.675 -1.414 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.747 4.264 0.245 1.00 0.00 C ATOM 0 H ILE A 113 8.753 3.853 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 113 11.546 3.597 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 113 9.891 1.882 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.377 2.981 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.739 4.213 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.235 1.184 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.919 0.922 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.855 2.340 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.003 4.961 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.357 4.818 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.989 3.567 0.602 1.00 0.00 H new ATOM 1804 N ALA A 114 11.082 1.916 -4.680 1.00 0.00 N ATOM 1805 CA ALA A 114 10.925 0.906 -5.669 1.00 0.00 C ATOM 1806 C ALA A 114 11.849 -0.253 -5.367 1.00 0.00 C ATOM 1807 O ALA A 114 12.992 -0.060 -4.947 1.00 0.00 O ATOM 1808 CB ALA A 114 11.183 1.467 -7.035 1.00 0.00 C ATOM 0 H ALA A 114 11.896 2.515 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 114 9.898 0.540 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.059 0.681 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.478 2.273 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.201 1.855 -7.083 1.00 0.00 H new ATOM 1814 N ARG A 115 11.347 -1.429 -5.558 1.00 0.00 N ATOM 1815 CA ARG A 115 12.035 -2.647 -5.288 1.00 0.00 C ATOM 1816 C ARG A 115 11.838 -3.563 -6.461 1.00 0.00 C ATOM 1817 O ARG A 115 10.720 -3.754 -6.928 1.00 0.00 O ATOM 1818 CB ARG A 115 11.447 -3.280 -4.026 1.00 0.00 C ATOM 1819 CG ARG A 115 12.060 -4.591 -3.617 1.00 0.00 C ATOM 1820 CD ARG A 115 13.492 -4.411 -3.190 1.00 0.00 C ATOM 1821 NE ARG A 115 14.152 -5.709 -2.965 1.00 0.00 N ATOM 1822 CZ ARG A 115 15.398 -6.036 -3.353 1.00 0.00 C ATOM 1823 NH1 ARG A 115 16.144 -5.154 -4.013 1.00 0.00 N ATOM 1824 NH2 ARG A 115 15.885 -7.257 -3.093 1.00 0.00 N ATOM 0 H ARG A 115 10.405 -1.572 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 115 13.099 -2.467 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.555 -2.575 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 115 10.378 -3.430 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 115 11.485 -5.025 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 115 12.011 -5.294 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 115 14.034 -3.853 -3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.529 -3.819 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 115 13.617 -6.423 -2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 115 15.771 -4.229 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 115 17.089 -5.403 -4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 115 15.311 -7.941 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 115 16.830 -7.503 -3.388 1.00 0.00 H new ATOM 1838 N LYS A 116 12.899 -4.086 -6.950 1.00 0.00 N ATOM 1839 CA LYS A 116 12.851 -5.006 -8.036 1.00 0.00 C ATOM 1840 C LYS A 116 12.472 -6.386 -7.550 1.00 0.00 C ATOM 1841 O LYS A 116 12.508 -6.672 -6.338 1.00 0.00 O ATOM 1842 CB LYS A 116 14.197 -5.048 -8.735 1.00 0.00 C ATOM 1843 CG LYS A 116 14.538 -3.768 -9.465 1.00 0.00 C ATOM 1844 CD LYS A 116 15.915 -3.833 -10.103 1.00 0.00 C ATOM 1845 CE LYS A 116 16.271 -2.509 -10.750 1.00 0.00 C ATOM 1846 NZ LYS A 116 17.611 -2.521 -11.367 1.00 0.00 N ATOM 0 H LYS A 116 13.839 -3.889 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 116 12.091 -4.672 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.974 -5.255 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.203 -5.875 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.790 -3.578 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.499 -2.931 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.659 -4.086 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.937 -4.626 -10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.527 -2.269 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.227 -1.719 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 17.805 -1.593 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.326 -2.723 -10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.648 -3.255 -12.102 1.00 0.00 H new ATOM 1860 N VAL A 117 12.070 -7.210 -8.487 1.00 0.00 N ATOM 1861 CA VAL A 117 11.752 -8.621 -8.221 1.00 0.00 C ATOM 1862 C VAL A 117 12.965 -9.318 -7.608 1.00 0.00 C ATOM 1863 O VAL A 117 14.115 -8.911 -7.846 1.00 0.00 O ATOM 1864 CB VAL A 117 11.324 -9.358 -9.528 1.00 0.00 C ATOM 1865 CG1 VAL A 117 10.937 -10.824 -9.299 1.00 0.00 C ATOM 1866 CG2 VAL A 117 10.206 -8.606 -10.201 1.00 0.00 C ATOM 0 H VAL A 117 11.949 -6.936 -9.462 1.00 0.00 H new ATOM 0 HA VAL A 117 10.917 -8.656 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 117 12.196 -9.377 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 117 10.650 -11.277 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 117 11.787 -11.364 -8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 117 10.098 -10.875 -8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.914 -9.128 -11.112 1.00 0.00 H new ATOM 0 HG22 VAL A 117 9.351 -8.545 -9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.543 -7.600 -10.451 1.00 0.00 H new ATOM 1876 N VAL A 118 12.685 -10.358 -6.856 1.00 0.00 N ATOM 1877 CA VAL A 118 13.628 -11.112 -6.126 1.00 0.00 C ATOM 1878 C VAL A 118 14.830 -11.521 -6.933 1.00 0.00 C ATOM 1879 O VAL A 118 14.746 -11.948 -8.091 1.00 0.00 O ATOM 1880 CB VAL A 118 12.987 -12.326 -5.463 1.00 0.00 C ATOM 1881 CG1 VAL A 118 12.011 -11.892 -4.392 1.00 0.00 C ATOM 1882 CG2 VAL A 118 12.320 -13.239 -6.480 1.00 0.00 C ATOM 0 H VAL A 118 11.732 -10.705 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 118 13.992 -10.441 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 118 13.781 -12.904 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 118 11.563 -12.772 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 118 12.537 -11.312 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.228 -11.279 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.876 -14.092 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.542 -12.688 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.064 -13.593 -7.194 1.00 0.00 H new ATOM 1892 N GLU A 119 15.921 -11.398 -6.285 1.00 0.00 N ATOM 1893 CA GLU A 119 17.230 -11.611 -6.831 1.00 0.00 C ATOM 1894 C GLU A 119 17.606 -13.065 -6.702 1.00 0.00 C ATOM 1895 O GLU A 119 18.638 -13.523 -7.210 1.00 0.00 O ATOM 1896 CB GLU A 119 18.156 -10.737 -6.045 1.00 0.00 C ATOM 1897 CG GLU A 119 17.656 -9.313 -6.038 1.00 0.00 C ATOM 1898 CD GLU A 119 18.545 -8.339 -5.325 1.00 0.00 C ATOM 1899 OE1 GLU A 119 19.520 -7.861 -5.934 1.00 0.00 O ATOM 1900 OE2 GLU A 119 18.265 -7.977 -4.155 1.00 0.00 O ATOM 0 H GLU A 119 15.942 -11.131 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 119 17.278 -11.363 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.235 -11.107 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.156 -10.776 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.530 -8.982 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.670 -9.291 -5.574 1.00 0.00 H new ATOM 1907 N GLN A 120 16.779 -13.770 -6.005 1.00 0.00 N ATOM 1908 CA GLN A 120 16.931 -15.188 -5.864 1.00 0.00 C ATOM 1909 C GLN A 120 16.371 -15.901 -7.092 1.00 0.00 C ATOM 1910 O GLN A 120 15.144 -16.079 -7.218 1.00 0.00 O ATOM 1911 CB GLN A 120 16.334 -15.718 -4.553 1.00 0.00 C ATOM 1912 CG GLN A 120 14.889 -15.344 -4.292 1.00 0.00 C ATOM 1913 CD GLN A 120 14.314 -16.090 -3.123 1.00 0.00 C ATOM 1914 OE1 GLN A 120 14.389 -15.643 -1.982 1.00 0.00 O ATOM 1915 NE2 GLN A 120 13.746 -17.233 -3.384 1.00 0.00 N ATOM 1916 OXT GLN A 120 17.157 -16.258 -7.980 1.00 0.00 O ATOM 0 H GLN A 120 15.974 -13.382 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 120 17.997 -15.407 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 120 16.415 -16.805 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 120 16.940 -15.352 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 120 14.820 -14.272 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 120 14.295 -15.552 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 120 13.702 -17.573 -4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 120 13.345 -17.788 -2.628 1.00 0.00 H new TER 1925 GLN A 120