USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 81 THR OG1 : rot -97:sc= 0.64 USER MOD Set 1.2: A 135 HIS :FLIP no HD1:sc= 0.582 F(o=-0.22,f=1.2) USER MOD Set 2.1: A 83 THR OG1 : rot 171:sc= 0.603 USER MOD Set 2.2: A 133 SER OG : rot 64:sc= 0.68 USER MOD Set 3.1: A 94 GLN : amide:sc= -0.105 X(o=-0.33,f=-0.36) USER MOD Set 3.2: A 96 HIS : no HD1:sc= -0.223 X(o=-0.33,f=-0.35) USER MOD Set 4.1: A 76 THR OG1 : rot 180:sc= 0.0406 USER MOD Set 4.2: A 80 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.2) USER MOD Set 5.1: A 43 HIS : no HE2:sc= 0.548 K(o=0.55,f=-2!) USER MOD Set 5.2: A 50 GLN : amide:sc= 0 K(o=0.55,f=-3.1!) USER MOD Single : A 1 HIS : no HE2:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 1 HIS N :NH3+ 139:sc= 0.03 (180deg=-0.0148) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.296 USER MOD Single : A 15 SER OG : rot -53:sc= 1.47 USER MOD Single : A 22 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.69) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -137:sc= 0 (180deg=-1.28) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.682 K(o=-0.68,f=-2!) USER MOD Single : A 34 SER OG : rot 21:sc= 1.27 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -34:sc= 0.0646 USER MOD Single : A 64 GLN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 66 SER OG : rot 180:sc= 0.433 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0.721) USER MOD Single : A 73 HIS : no HD1:sc= -0.0688 K(o=-0.069,f=-0.61) USER MOD Single : A 75 MET CE :methyl -151:sc= 0 (180deg=-0.178) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00454 X(o=-0.0045,f=-0.044) USER MOD Single : A 92 THR OG1 : rot 150:sc= 0.0886 USER MOD Single : A 93 SER OG : rot 170:sc= -0.15 USER MOD Single : A 97 TYR OH : rot -86:sc= 0.187 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -146:sc= 0.075 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 126 SER OG : rot 179:sc= 1.27 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 131 ASN : amide:sc= -0.065 K(o=-0.065,f=-0.63) USER MOD Single : A 134 HIS : no HD1:sc= 0.234 K(o=0.23,f=-4!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HE2:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 157 THR OG1 : rot 93:sc= 0.58 USER MOD Single : A 159 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.8!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0.0174 X(o=0.017,f=0) USER MOD Single : A 171 ASN : amide:sc= 0.229 K(o=0.23,f=-3.5!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.861 0.626 -2.202 1.00 25.00 N ATOM 2 CA HIS A 1 0.479 1.378 -2.431 1.00 25.00 C ATOM 3 C HIS A 1 1.192 0.880 -3.701 1.00 25.00 C ATOM 4 O HIS A 1 1.468 -0.304 -3.863 1.00 25.00 O ATOM 5 CB HIS A 1 1.483 1.150 -1.268 1.00 0.00 C ATOM 6 CG HIS A 1 1.129 1.828 -0.026 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.215 1.310 0.877 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.502 3.023 0.394 1.00 0.00 C ATOM 9 CE1 HIS A 1 0.168 2.226 1.923 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.932 3.320 1.652 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.970 0.411 -1.190 1.00 25.00 H new ATOM 0 H2 HIS A 1 -1.652 1.223 -2.516 1.00 25.00 H new ATOM 0 H3 HIS A 1 -0.859 -0.260 -2.746 1.00 25.00 H new ATOM 0 HA HIS A 1 0.207 2.430 -2.509 1.00 25.00 H new ATOM 0 HB2 HIS A 1 1.560 0.080 -1.075 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.470 1.488 -1.584 1.00 0.00 H new ATOM 0 HD1 HIS A 1 -0.312 0.441 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.157 3.686 -0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.400 2.088 2.831 1.00 0.00 H new ATOM 17 N GLY A 2 1.509 1.715 -4.672 1.00 25.00 N ATOM 18 CA GLY A 2 1.007 3.089 -4.853 1.00 25.00 C ATOM 19 C GLY A 2 1.801 3.719 -6.014 1.00 25.00 C ATOM 20 O GLY A 2 3.030 3.855 -5.903 1.00 25.00 O ATOM 0 H GLY A 2 2.163 1.448 -5.408 1.00 25.00 H new ATOM 0 HA2 GLY A 2 -0.060 3.082 -5.077 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.137 3.669 -3.939 1.00 25.00 H new ATOM 24 N PHE A 3 1.205 4.128 -7.146 1.00 25.00 N ATOM 25 CA PHE A 3 2.024 4.604 -8.247 1.00 25.00 C ATOM 26 C PHE A 3 1.525 5.918 -8.765 1.00 25.00 C ATOM 27 O PHE A 3 0.305 6.181 -8.809 1.00 25.00 O ATOM 28 CB PHE A 3 1.877 3.549 -9.330 1.00 25.00 C ATOM 29 CG PHE A 3 2.124 2.164 -8.784 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.394 1.792 -8.467 1.00 50.00 C ATOM 31 CD2 PHE A 3 1.059 1.253 -8.674 1.00 50.00 C ATOM 32 CE1 PHE A 3 3.606 0.432 -7.828 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.255 -0.014 -8.136 1.00 25.00 C ATOM 34 CZ PHE A 3 2.498 -0.410 -7.659 1.00 25.00 C ATOM 0 H PHE A 3 0.198 4.136 -7.311 1.00 25.00 H new ATOM 0 HA PHE A 3 3.057 4.755 -7.934 1.00 25.00 H new ATOM 0 HB2 PHE A 3 0.875 3.600 -9.757 1.00 25.00 H new ATOM 0 HB3 PHE A 3 2.579 3.754 -10.138 1.00 25.00 H new ATOM 0 HD1 PHE A 3 4.229 2.447 -8.665 1.00 50.00 H new ATOM 0 HD2 PHE A 3 0.075 1.541 -9.012 1.00 50.00 H new ATOM 0 HE1 PHE A 3 4.590 0.119 -7.510 1.00 25.00 H new ATOM 0 HE2 PHE A 3 0.425 -0.703 -8.088 1.00 25.00 H new ATOM 0 HZ PHE A 3 2.610 -1.362 -7.161 1.00 25.00 H new ATOM 44 N ILE A 4 2.385 6.799 -9.191 1.00 25.00 N ATOM 45 CA ILE A 4 2.000 8.167 -9.599 1.00 25.00 C ATOM 46 C ILE A 4 1.947 8.024 -11.098 1.00 25.00 C ATOM 47 O ILE A 4 3.015 7.909 -11.730 1.00 25.00 O ATOM 48 CB ILE A 4 3.047 9.241 -9.159 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.216 9.166 -7.635 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.570 10.671 -9.666 1.00 25.00 C ATOM 51 CD1 ILE A 4 4.112 10.088 -6.995 1.00 25.00 C ATOM 0 H ILE A 4 3.384 6.611 -9.274 1.00 25.00 H new ATOM 0 HA ILE A 4 1.071 8.513 -9.145 1.00 25.00 H new ATOM 0 HB ILE A 4 4.024 9.056 -9.605 1.00 25.00 H new ATOM 0 HG12 ILE A 4 2.231 9.296 -7.186 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.548 8.157 -7.388 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.296 11.425 -9.362 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.488 10.663 -10.753 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.599 10.906 -9.231 1.00 25.00 H new ATOM 0 HD11 ILE A 4 4.117 9.904 -5.921 1.00 25.00 H new ATOM 0 HD12 ILE A 4 5.118 9.952 -7.392 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.781 11.109 -7.186 1.00 25.00 H new ATOM 63 N GLU A 5 0.752 8.191 -11.630 1.00 25.00 N ATOM 64 CA GLU A 5 0.488 8.062 -13.078 1.00 25.00 C ATOM 65 C GLU A 5 0.699 9.382 -13.776 1.00 25.00 C ATOM 66 O GLU A 5 1.342 9.394 -14.825 1.00 25.00 O ATOM 67 CB GLU A 5 -0.954 7.652 -13.233 1.00 25.00 C ATOM 68 CG GLU A 5 -1.244 7.235 -14.617 1.00 25.00 C ATOM 69 CD GLU A 5 -2.751 7.065 -14.796 1.00 25.00 C ATOM 70 OE1 GLU A 5 -3.387 7.949 -15.420 1.00 25.00 O ATOM 71 OE2 GLU A 5 -3.301 5.972 -14.448 1.00 25.00 O1- ATOM 0 H GLU A 5 -0.076 8.421 -11.081 1.00 25.00 H new ATOM 0 HA GLU A 5 1.165 7.329 -13.518 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -1.177 6.833 -12.549 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -1.603 8.483 -12.957 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -0.866 7.979 -15.318 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -0.733 6.298 -14.840 1.00 25.00 H new ATOM 78 N LYS A 6 0.275 10.476 -13.162 1.00 25.00 N ATOM 79 CA LYS A 6 0.396 11.862 -13.690 1.00 25.00 C ATOM 80 C LYS A 6 0.602 12.983 -12.669 1.00 25.00 C ATOM 81 O LYS A 6 -0.021 12.953 -11.597 1.00 25.00 O ATOM 82 CB LYS A 6 -0.861 12.247 -14.447 1.00 25.00 C ATOM 83 CG LYS A 6 -1.220 11.328 -15.575 1.00 25.00 C ATOM 84 CD LYS A 6 -2.561 11.848 -16.178 1.00 25.00 C ATOM 85 CE LYS A 6 -3.094 11.047 -17.388 1.00 25.00 C ATOM 86 NZ LYS A 6 -2.315 11.370 -18.584 1.00 25.00 N1+ ATOM 0 H LYS A 6 -0.181 10.442 -12.250 1.00 25.00 H new ATOM 0 HA LYS A 6 1.298 11.798 -14.299 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.695 12.282 -13.746 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.736 13.255 -14.843 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -0.435 11.320 -16.331 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -1.329 10.304 -15.218 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -3.320 11.841 -15.395 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -2.426 12.886 -16.481 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -3.034 9.978 -17.182 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -4.146 11.281 -17.555 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -2.680 10.827 -19.393 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -2.394 12.387 -18.786 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -1.317 11.125 -18.425 1.00 25.00 H new ATOM 100 N PRO A 7 1.385 14.078 -12.961 1.00 25.00 N ATOM 101 CA PRO A 7 2.240 14.315 -14.119 1.00 25.00 C ATOM 102 C PRO A 7 3.542 13.498 -14.158 1.00 25.00 C ATOM 103 O PRO A 7 4.190 13.245 -13.094 1.00 25.00 O ATOM 104 CB PRO A 7 2.683 15.743 -13.986 1.00 25.00 C ATOM 105 CG PRO A 7 2.759 16.101 -12.575 1.00 25.00 C ATOM 106 CD PRO A 7 1.566 15.205 -12.031 1.00 25.00 C ATOM 0 HA PRO A 7 1.665 14.049 -15.006 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.656 15.878 -14.459 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.984 16.401 -14.502 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.718 15.844 -12.126 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.600 17.165 -12.401 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.790 14.840 -11.029 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.650 15.792 -11.960 1.00 25.00 H new ATOM 114 N GLY A 8 3.924 13.231 -15.399 1.00 25.00 N ATOM 115 CA GLY A 8 5.264 12.654 -15.663 1.00 25.00 C ATOM 116 C GLY A 8 5.384 11.247 -15.180 1.00 25.00 C ATOM 117 O GLY A 8 4.379 10.637 -14.844 1.00 25.00 O ATOM 0 H GLY A 8 3.353 13.394 -16.229 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.466 12.686 -16.734 1.00 25.00 H new ATOM 0 HA3 GLY A 8 6.023 13.268 -15.177 1.00 25.00 H new ATOM 121 N SER A 9 6.633 10.766 -15.171 1.00 25.00 N ATOM 122 CA SER A 9 7.025 9.470 -14.618 1.00 25.00 C ATOM 123 C SER A 9 8.125 9.656 -13.623 1.00 25.00 C ATOM 124 O SER A 9 9.211 10.219 -13.949 1.00 25.00 O ATOM 125 CB SER A 9 7.530 8.573 -15.735 1.00 25.00 C ATOM 126 OG SER A 9 8.149 7.374 -15.178 1.00 25.00 O ATOM 0 H SER A 9 7.420 11.285 -15.560 1.00 25.00 H new ATOM 0 HA SER A 9 6.160 9.016 -14.134 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.704 8.294 -16.389 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.252 9.113 -16.347 1.00 25.00 H new ATOM 0 HG SER A 9 8.469 6.803 -15.907 1.00 25.00 H new ATOM 132 N ARG A 10 7.891 9.251 -12.401 1.00 25.00 N ATOM 133 CA ARG A 10 8.881 9.362 -11.314 1.00 25.00 C ATOM 134 C ARG A 10 9.992 8.401 -11.564 1.00 25.00 C ATOM 135 O ARG A 10 11.126 8.679 -11.279 1.00 25.00 O ATOM 136 CB ARG A 10 8.270 9.186 -9.948 1.00 25.00 C ATOM 137 CG ARG A 10 9.096 9.619 -8.770 1.00 25.00 C ATOM 138 CD ARG A 10 8.351 9.263 -7.464 1.00 25.00 C ATOM 139 NE ARG A 10 9.118 9.553 -6.214 1.00 25.00 N ATOM 140 CZ ARG A 10 8.803 9.229 -4.988 1.00 25.00 C ATOM 141 NH1 ARG A 10 9.526 9.572 -3.954 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 7.759 8.525 -4.725 1.00 25.00 N ATOM 0 H ARG A 10 7.008 8.830 -12.111 1.00 25.00 H new ATOM 0 HA ARG A 10 9.282 10.375 -11.316 1.00 25.00 H new ATOM 0 HB2 ARG A 10 7.330 9.738 -9.924 1.00 25.00 H new ATOM 0 HB3 ARG A 10 8.024 8.132 -9.820 1.00 25.00 H new ATOM 0 HG2 ARG A 10 10.068 9.127 -8.793 1.00 25.00 H new ATOM 0 HG3 ARG A 10 9.281 10.692 -8.816 1.00 25.00 H new ATOM 0 HD2 ARG A 10 7.411 9.815 -7.435 1.00 25.00 H new ATOM 0 HD3 ARG A 10 8.098 8.203 -7.482 1.00 25.00 H new ATOM 0 HE ARG A 10 9.992 10.065 -6.332 1.00 25.00 H new ATOM 0 HH11 ARG A 10 10.378 10.117 -4.086 1.00 25.00 H new ATOM 0 HH12 ARG A 10 9.238 9.295 -3.016 1.00 25.00 H new ATOM 0 HH21 ARG A 10 7.155 8.206 -5.482 1.00 25.00 H new ATOM 0 HH22 ARG A 10 7.535 8.286 -3.759 1.00 25.00 H new ATOM 156 N ALA A 11 9.659 7.232 -12.111 1.00 25.00 N ATOM 157 CA ALA A 11 10.612 6.147 -12.358 1.00 25.00 C ATOM 158 C ALA A 11 11.580 6.553 -13.437 1.00 25.00 C ATOM 159 O ALA A 11 12.728 6.190 -13.375 1.00 25.00 O ATOM 160 CB ALA A 11 9.753 4.938 -12.748 1.00 25.00 C ATOM 0 H ALA A 11 8.707 7.008 -12.399 1.00 25.00 H new ATOM 0 HA ALA A 11 11.226 5.907 -11.490 1.00 25.00 H new ATOM 0 HB1 ALA A 11 10.398 4.083 -12.949 1.00 25.00 H new ATOM 0 HB2 ALA A 11 9.073 4.696 -11.931 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.176 5.175 -13.642 1.00 25.00 H new ATOM 166 N ALA A 12 11.133 7.267 -14.474 1.00 25.00 N ATOM 167 CA ALA A 12 12.050 7.715 -15.508 1.00 25.00 C ATOM 168 C ALA A 12 13.063 8.759 -15.016 1.00 25.00 C ATOM 169 O ALA A 12 14.203 8.726 -15.434 1.00 25.00 O ATOM 170 CB ALA A 12 11.315 8.222 -16.733 1.00 25.00 C ATOM 0 H ALA A 12 10.160 7.540 -14.613 1.00 25.00 H new ATOM 0 HA ALA A 12 12.622 6.830 -15.789 1.00 25.00 H new ATOM 0 HB1 ALA A 12 12.037 8.547 -17.482 1.00 25.00 H new ATOM 0 HB2 ALA A 12 10.700 7.422 -17.145 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.679 9.062 -16.454 1.00 25.00 H new ATOM 176 N LEU A 13 12.598 9.622 -14.133 1.00 25.00 N ATOM 177 CA LEU A 13 13.468 10.647 -13.535 1.00 25.00 C ATOM 178 C LEU A 13 14.469 10.003 -12.645 1.00 25.00 C ATOM 179 O LEU A 13 15.522 10.514 -12.481 1.00 25.00 O ATOM 180 CB LEU A 13 12.630 11.626 -12.676 1.00 25.00 C ATOM 181 CG LEU A 13 11.714 12.682 -13.282 1.00 25.00 C ATOM 182 CD1 LEU A 13 10.891 13.357 -12.104 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.527 13.689 -14.071 1.00 75.00 C ATOM 0 H LEU A 13 11.631 9.644 -13.808 1.00 25.00 H new ATOM 0 HA LEU A 13 13.964 11.185 -14.343 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.007 11.012 -12.025 1.00 25.00 H new ATOM 0 HB3 LEU A 13 13.334 12.157 -12.035 1.00 25.00 H new ATOM 0 HG LEU A 13 11.012 12.232 -13.984 1.00 25.00 H new ATOM 0 HD11 LEU A 13 10.227 14.118 -12.514 1.00 75.00 H new ATOM 0 HD12 LEU A 13 10.300 12.598 -11.591 1.00 75.00 H new ATOM 0 HD13 LEU A 13 11.580 13.819 -11.397 1.00 75.00 H new ATOM 0 HD21 LEU A 13 11.861 14.439 -14.499 1.00 75.00 H new ATOM 0 HD22 LEU A 13 13.244 14.176 -13.410 1.00 75.00 H new ATOM 0 HD23 LEU A 13 13.061 13.178 -14.872 1.00 75.00 H new ATOM 195 N CYS A 14 14.103 8.827 -12.101 1.00 25.00 N ATOM 196 CA CYS A 14 14.980 8.057 -11.216 1.00 25.00 C ATOM 197 C CYS A 14 16.026 7.302 -12.093 1.00 25.00 C ATOM 198 O CYS A 14 17.114 6.910 -11.616 1.00 25.00 O ATOM 199 CB CYS A 14 14.125 7.153 -10.305 1.00 25.00 C ATOM 200 SG CYS A 14 15.063 6.193 -9.045 1.00 25.00 S ATOM 0 H CYS A 14 13.196 8.391 -12.265 1.00 25.00 H new ATOM 0 HA CYS A 14 15.547 8.697 -10.540 1.00 25.00 H new ATOM 0 HB2 CYS A 14 13.390 7.773 -9.792 1.00 25.00 H new ATOM 0 HB3 CYS A 14 13.571 6.454 -10.932 1.00 25.00 H new ATOM 205 N SER A 15 15.682 7.094 -13.322 1.00 25.00 N ATOM 206 CA SER A 15 16.489 6.187 -14.170 1.00 25.00 C ATOM 207 C SER A 15 17.677 6.868 -14.751 1.00 25.00 C ATOM 208 O SER A 15 17.865 8.041 -14.694 1.00 25.00 O ATOM 209 CB SER A 15 15.707 5.668 -15.385 1.00 25.00 C ATOM 210 OG SER A 15 15.655 6.709 -16.311 1.00 25.00 O ATOM 0 H SER A 15 14.873 7.514 -13.780 1.00 25.00 H new ATOM 0 HA SER A 15 16.772 5.378 -13.497 1.00 25.00 H new ATOM 0 HB2 SER A 15 16.197 4.794 -15.814 1.00 25.00 H new ATOM 0 HB3 SER A 15 14.703 5.360 -15.094 1.00 25.00 H new ATOM 0 HG SER A 15 15.305 7.515 -15.877 1.00 25.00 H new ATOM 216 N GLU A 16 18.583 6.142 -15.379 1.00 25.00 N ATOM 217 CA GLU A 16 19.774 6.780 -15.966 1.00 25.00 C ATOM 218 C GLU A 16 19.436 7.594 -17.246 1.00 25.00 C ATOM 219 O GLU A 16 20.224 8.386 -17.777 1.00 25.00 O ATOM 220 CB GLU A 16 20.884 5.737 -16.299 1.00 25.00 C ATOM 221 CG GLU A 16 21.061 4.677 -15.254 1.00 25.00 C ATOM 222 CD GLU A 16 22.220 3.668 -15.445 1.00 25.00 C ATOM 223 OE1 GLU A 16 22.665 3.472 -16.599 1.00 25.00 O ATOM 224 OE2 GLU A 16 22.634 2.962 -14.480 1.00 25.00 O1- ATOM 0 H GLU A 16 18.532 5.131 -15.501 1.00 25.00 H new ATOM 0 HA GLU A 16 20.147 7.467 -15.207 1.00 25.00 H new ATOM 0 HB2 GLU A 16 20.645 5.259 -17.249 1.00 25.00 H new ATOM 0 HB3 GLU A 16 21.831 6.260 -16.434 1.00 25.00 H new ATOM 0 HG2 GLU A 16 21.202 5.173 -14.293 1.00 25.00 H new ATOM 0 HG3 GLU A 16 20.131 4.112 -15.188 1.00 25.00 H new ATOM 231 N ALA A 17 18.241 7.402 -17.769 1.00 25.00 N ATOM 232 CA ALA A 17 17.899 8.136 -18.995 1.00 25.00 C ATOM 233 C ALA A 17 17.558 9.633 -18.708 1.00 25.00 C ATOM 234 O ALA A 17 17.618 10.512 -19.573 1.00 25.00 O ATOM 235 CB ALA A 17 16.742 7.514 -19.697 1.00 25.00 C ATOM 0 H ALA A 17 17.519 6.783 -17.399 1.00 25.00 H new ATOM 0 HA ALA A 17 18.784 8.088 -19.630 1.00 25.00 H new ATOM 0 HB1 ALA A 17 16.516 8.082 -20.599 1.00 25.00 H new ATOM 0 HB2 ALA A 17 16.989 6.487 -19.967 1.00 25.00 H new ATOM 0 HB3 ALA A 17 15.873 7.517 -19.039 1.00 25.00 H new ATOM 241 N PHE A 18 17.378 9.895 -17.409 1.00 25.00 N ATOM 242 CA PHE A 18 17.435 11.192 -16.817 1.00 25.00 C ATOM 243 C PHE A 18 18.699 11.968 -17.140 1.00 25.00 C ATOM 244 O PHE A 18 18.646 13.158 -17.390 1.00 25.00 O ATOM 245 CB PHE A 18 17.347 11.048 -15.324 1.00 25.00 C ATOM 246 CG PHE A 18 17.391 12.350 -14.539 1.00 25.00 C ATOM 247 CD1 PHE A 18 18.495 12.676 -13.774 1.00 50.00 C ATOM 248 CD2 PHE A 18 16.282 13.188 -14.522 1.00 50.00 C ATOM 249 CE1 PHE A 18 18.519 13.946 -13.099 1.00 25.00 C ATOM 250 CE2 PHE A 18 16.269 14.421 -13.832 1.00 25.00 C ATOM 251 CZ PHE A 18 17.445 14.828 -13.173 1.00 25.00 C ATOM 0 H PHE A 18 17.181 9.160 -16.730 1.00 25.00 H new ATOM 0 HA PHE A 18 16.599 11.754 -17.234 1.00 25.00 H new ATOM 0 HB2 PHE A 18 16.421 10.528 -15.080 1.00 25.00 H new ATOM 0 HB3 PHE A 18 18.167 10.413 -14.988 1.00 25.00 H new ATOM 0 HD1 PHE A 18 19.324 11.990 -13.685 1.00 50.00 H new ATOM 0 HD2 PHE A 18 15.395 12.884 -15.058 1.00 50.00 H new ATOM 0 HE1 PHE A 18 19.390 14.221 -12.522 1.00 25.00 H new ATOM 0 HE2 PHE A 18 15.381 15.035 -13.811 1.00 25.00 H new ATOM 0 HZ PHE A 18 17.513 15.811 -12.731 1.00 25.00 H new ATOM 261 N GLY A 19 19.853 11.275 -17.134 1.00 25.00 N ATOM 262 CA GLY A 19 21.149 11.890 -17.427 1.00 25.00 C ATOM 263 C GLY A 19 22.088 11.194 -16.463 1.00 25.00 C ATOM 264 O GLY A 19 22.239 11.577 -15.309 1.00 25.00 O ATOM 0 H GLY A 19 19.907 10.278 -16.926 1.00 25.00 H new ATOM 0 HA2 GLY A 19 21.445 11.730 -18.464 1.00 25.00 H new ATOM 0 HA3 GLY A 19 21.130 12.967 -17.263 1.00 25.00 H new ATOM 268 N PHE A 20 22.623 10.082 -16.956 1.00 25.00 N ATOM 269 CA PHE A 20 23.340 9.032 -16.225 1.00 25.00 C ATOM 270 C PHE A 20 24.451 9.507 -15.226 1.00 25.00 C ATOM 271 O PHE A 20 24.601 8.875 -14.136 1.00 25.00 O ATOM 272 CB PHE A 20 24.008 8.187 -17.244 1.00 25.00 C ATOM 273 CG PHE A 20 25.122 7.267 -16.729 1.00 25.00 C ATOM 274 CD1 PHE A 20 24.838 6.142 -15.934 1.00 50.00 C ATOM 275 CD2 PHE A 20 26.479 7.506 -16.971 1.00 50.00 C ATOM 276 CE1 PHE A 20 25.863 5.289 -15.350 1.00 25.00 C ATOM 277 CE2 PHE A 20 27.505 6.747 -16.398 1.00 25.00 C ATOM 278 CZ PHE A 20 27.176 5.583 -15.600 1.00 25.00 C ATOM 0 H PHE A 20 22.565 9.871 -17.952 1.00 25.00 H new ATOM 0 HA PHE A 20 22.591 8.530 -15.612 1.00 25.00 H new ATOM 0 HB2 PHE A 20 23.251 7.571 -17.730 1.00 25.00 H new ATOM 0 HB3 PHE A 20 24.428 8.839 -18.010 1.00 25.00 H new ATOM 0 HD1 PHE A 20 23.803 5.898 -15.747 1.00 50.00 H new ATOM 0 HD2 PHE A 20 26.748 8.316 -17.633 1.00 50.00 H new ATOM 0 HE1 PHE A 20 25.594 4.444 -14.734 1.00 25.00 H new ATOM 0 HE2 PHE A 20 28.537 7.027 -16.550 1.00 25.00 H new ATOM 0 HZ PHE A 20 27.960 4.953 -15.206 1.00 25.00 H new ATOM 288 N LEU A 21 25.152 10.643 -15.477 1.00 25.00 N ATOM 289 CA LEU A 21 26.256 10.992 -14.541 1.00 25.00 C ATOM 290 C LEU A 21 25.733 11.463 -13.213 1.00 25.00 C ATOM 291 O LEU A 21 26.552 11.543 -12.255 1.00 25.00 O ATOM 292 CB LEU A 21 27.032 12.118 -15.255 1.00 25.00 C ATOM 293 CG LEU A 21 27.933 11.733 -16.464 1.00 25.00 C ATOM 294 CD1 LEU A 21 28.574 13.010 -17.102 1.00 50.00 C ATOM 295 CD2 LEU A 21 29.020 10.674 -16.285 1.00 50.00 C ATOM 0 H LEU A 21 24.994 11.287 -16.252 1.00 25.00 H new ATOM 0 HA LEU A 21 26.882 10.128 -14.319 1.00 25.00 H new ATOM 0 HB2 LEU A 21 26.307 12.855 -15.600 1.00 25.00 H new ATOM 0 HB3 LEU A 21 27.661 12.612 -14.514 1.00 25.00 H new ATOM 0 HG LEU A 21 27.210 11.239 -17.113 1.00 25.00 H new ATOM 0 HD11 LEU A 21 29.200 12.720 -17.946 1.00 50.00 H new ATOM 0 HD12 LEU A 21 27.786 13.679 -17.448 1.00 50.00 H new ATOM 0 HD13 LEU A 21 29.183 13.522 -16.357 1.00 50.00 H new ATOM 0 HD21 LEU A 21 29.549 10.533 -17.228 1.00 50.00 H new ATOM 0 HD22 LEU A 21 29.724 11.001 -15.519 1.00 50.00 H new ATOM 0 HD23 LEU A 21 28.564 9.732 -15.980 1.00 50.00 H new ATOM 307 N ASN A 22 24.425 11.792 -13.101 1.00 25.00 N ATOM 308 CA ASN A 22 23.880 12.387 -11.845 1.00 25.00 C ATOM 309 C ASN A 22 22.471 11.926 -11.525 1.00 25.00 C ATOM 310 O ASN A 22 21.772 11.489 -12.441 1.00 25.00 O ATOM 311 CB ASN A 22 23.702 13.922 -12.062 1.00 25.00 C ATOM 312 CG ASN A 22 24.900 14.595 -12.570 1.00 25.00 C ATOM 313 OD1 ASN A 22 26.041 14.292 -12.166 1.00 25.00 O ATOM 314 ND2 ASN A 22 24.765 15.477 -13.526 1.00 25.00 N ATOM 0 H ASN A 22 23.737 11.662 -13.842 1.00 25.00 H new ATOM 0 HA ASN A 22 24.575 12.099 -11.056 1.00 25.00 H new ATOM 0 HB2 ASN A 22 22.881 14.087 -12.760 1.00 25.00 H new ATOM 0 HB3 ASN A 22 23.413 14.381 -11.117 1.00 25.00 H new ATOM 0 HD21 ASN A 22 25.590 15.913 -13.937 1.00 25.00 H new ATOM 0 HD22 ASN A 22 23.835 15.729 -13.860 1.00 25.00 H new ATOM 321 N LEU A 23 22.043 12.015 -10.262 1.00 25.00 N ATOM 322 CA LEU A 23 20.682 11.518 -9.919 1.00 25.00 C ATOM 323 C LEU A 23 20.331 12.054 -8.474 1.00 25.00 C ATOM 324 O LEU A 23 21.191 12.704 -7.872 1.00 25.00 O ATOM 325 CB LEU A 23 20.672 9.986 -9.836 1.00 25.00 C ATOM 326 CG LEU A 23 21.410 9.198 -8.734 1.00 25.00 C ATOM 327 CD1 LEU A 23 20.999 7.763 -8.466 1.00 50.00 C ATOM 328 CD2 LEU A 23 22.957 9.111 -8.982 1.00 50.00 C ATOM 0 H LEU A 23 22.578 12.404 -9.486 1.00 25.00 H new ATOM 0 HA LEU A 23 19.976 11.853 -10.679 1.00 25.00 H new ATOM 0 HB2 LEU A 23 19.625 9.686 -9.782 1.00 25.00 H new ATOM 0 HB3 LEU A 23 21.059 9.622 -10.788 1.00 25.00 H new ATOM 0 HG LEU A 23 21.118 9.804 -7.876 1.00 25.00 H new ATOM 0 HD11 LEU A 23 21.613 7.352 -7.664 1.00 50.00 H new ATOM 0 HD12 LEU A 23 19.950 7.734 -8.171 1.00 50.00 H new ATOM 0 HD13 LEU A 23 21.138 7.170 -9.370 1.00 50.00 H new ATOM 0 HD21 LEU A 23 23.424 8.546 -8.175 1.00 50.00 H new ATOM 0 HD22 LEU A 23 23.146 8.611 -9.932 1.00 50.00 H new ATOM 0 HD23 LEU A 23 23.378 10.116 -9.011 1.00 50.00 H new ATOM 340 N ASN A 24 19.122 11.660 -8.008 1.00 25.00 N ATOM 341 CA ASN A 24 18.649 12.078 -6.664 1.00 25.00 C ATOM 342 C ASN A 24 17.645 10.983 -6.197 1.00 25.00 C ATOM 343 O ASN A 24 16.487 11.237 -5.853 1.00 25.00 O ATOM 344 CB ASN A 24 18.072 13.437 -6.626 1.00 25.00 C ATOM 345 CG ASN A 24 19.120 14.528 -6.429 1.00 25.00 C ATOM 346 OD1 ASN A 24 19.883 14.602 -5.491 1.00 25.00 O ATOM 347 ND2 ASN A 24 19.191 15.468 -7.360 1.00 25.00 N ATOM 0 H ASN A 24 18.471 11.069 -8.525 1.00 25.00 H new ATOM 0 HA ASN A 24 19.495 12.154 -5.980 1.00 25.00 H new ATOM 0 HB2 ASN A 24 17.534 13.623 -7.555 1.00 25.00 H new ATOM 0 HB3 ASN A 24 17.342 13.493 -5.818 1.00 25.00 H new ATOM 0 HD21 ASN A 24 19.873 16.222 -7.273 1.00 25.00 H new ATOM 0 HD22 ASN A 24 18.564 15.438 -8.164 1.00 25.00 H new ATOM 354 N CYS A 25 18.069 9.741 -6.334 1.00 25.00 N ATOM 355 CA CYS A 25 17.230 8.596 -6.186 1.00 25.00 C ATOM 356 C CYS A 25 17.811 7.345 -5.506 1.00 25.00 C ATOM 357 O CYS A 25 17.180 6.347 -5.213 1.00 25.00 O ATOM 358 CB CYS A 25 16.768 8.234 -7.627 1.00 25.00 C ATOM 359 SG CYS A 25 15.116 7.496 -7.501 1.00 25.00 S ATOM 0 H CYS A 25 19.037 9.508 -6.558 1.00 25.00 H new ATOM 0 HA CYS A 25 16.440 8.884 -5.492 1.00 25.00 H new ATOM 0 HB2 CYS A 25 16.743 9.124 -8.256 1.00 25.00 H new ATOM 0 HB3 CYS A 25 17.466 7.536 -8.089 1.00 25.00 H new ATOM 364 N GLY A 26 19.125 7.454 -5.173 1.00 25.00 N ATOM 365 CA GLY A 26 19.929 6.281 -4.851 1.00 25.00 C ATOM 366 C GLY A 26 19.364 5.485 -3.703 1.00 25.00 C ATOM 367 O GLY A 26 19.310 4.203 -3.748 1.00 25.00 O ATOM 0 H GLY A 26 19.630 8.339 -5.125 1.00 25.00 H new ATOM 0 HA2 GLY A 26 20.000 5.642 -5.731 1.00 25.00 H new ATOM 0 HA3 GLY A 26 20.943 6.597 -4.604 1.00 25.00 H new ATOM 371 N SER A 27 18.846 6.207 -2.672 1.00 25.00 N ATOM 372 CA SER A 27 18.196 5.549 -1.514 1.00 25.00 C ATOM 373 C SER A 27 16.722 5.375 -1.690 1.00 25.00 C ATOM 374 O SER A 27 16.023 4.388 -1.357 1.00 25.00 O ATOM 375 CB SER A 27 18.370 6.357 -0.238 1.00 25.00 C ATOM 376 OG SER A 27 19.770 6.768 -0.178 1.00 25.00 O ATOM 0 H SER A 27 18.867 7.226 -2.622 1.00 25.00 H new ATOM 0 HA SER A 27 18.686 4.578 -1.446 1.00 25.00 H new ATOM 0 HB2 SER A 27 17.713 7.227 -0.240 1.00 25.00 H new ATOM 0 HB3 SER A 27 18.106 5.760 0.635 1.00 25.00 H new ATOM 0 HG SER A 27 19.922 7.295 0.634 1.00 25.00 H new ATOM 382 N VAL A 28 16.207 6.353 -2.398 1.00 25.00 N ATOM 383 CA VAL A 28 14.754 6.429 -2.646 1.00 25.00 C ATOM 384 C VAL A 28 14.212 5.279 -3.519 1.00 25.00 C ATOM 385 O VAL A 28 13.124 4.825 -3.261 1.00 25.00 O ATOM 386 CB VAL A 28 14.262 7.872 -3.217 1.00 25.00 C ATOM 387 CG1 VAL A 28 12.741 7.911 -3.388 1.00 50.00 C ATOM 388 CG2 VAL A 28 14.736 9.048 -2.386 1.00 50.00 C ATOM 0 H VAL A 28 16.751 7.108 -2.816 1.00 25.00 H new ATOM 0 HA VAL A 28 14.316 6.311 -1.655 1.00 25.00 H new ATOM 0 HB VAL A 28 14.732 7.978 -4.195 1.00 25.00 H new ATOM 0 HG11 VAL A 28 12.443 8.887 -3.771 1.00 50.00 H new ATOM 0 HG12 VAL A 28 12.434 7.136 -4.091 1.00 50.00 H new ATOM 0 HG13 VAL A 28 12.262 7.737 -2.424 1.00 50.00 H new ATOM 0 HG21 VAL A 28 14.370 9.976 -2.826 1.00 50.00 H new ATOM 0 HG22 VAL A 28 14.353 8.953 -1.370 1.00 50.00 H new ATOM 0 HG23 VAL A 28 15.826 9.062 -2.364 1.00 50.00 H new ATOM 398 N MET A 29 15.018 4.721 -4.446 1.00 25.00 N ATOM 399 CA MET A 29 14.574 3.568 -5.249 1.00 25.00 C ATOM 400 C MET A 29 14.385 2.206 -4.476 1.00 25.00 C ATOM 401 O MET A 29 13.877 1.259 -5.069 1.00 25.00 O ATOM 402 CB MET A 29 15.491 3.378 -6.441 1.00 25.00 C ATOM 403 CG MET A 29 16.802 2.695 -6.077 1.00 25.00 C ATOM 404 SD MET A 29 17.941 2.383 -7.383 1.00 25.00 S ATOM 405 CE MET A 29 18.697 3.893 -7.708 1.00 25.00 C ATOM 0 H MET A 29 15.963 5.045 -4.653 1.00 25.00 H new ATOM 0 HA MET A 29 13.566 3.832 -5.568 1.00 25.00 H new ATOM 0 HB2 MET A 29 14.977 2.786 -7.198 1.00 25.00 H new ATOM 0 HB3 MET A 29 15.705 4.349 -6.887 1.00 25.00 H new ATOM 0 HG2 MET A 29 17.306 3.308 -5.330 1.00 25.00 H new ATOM 0 HG3 MET A 29 16.566 1.743 -5.601 1.00 25.00 H new ATOM 0 HE1 MET A 29 18.771 4.038 -8.786 1.00 25.00 H new ATOM 0 HE2 MET A 29 18.104 4.698 -7.273 1.00 25.00 H new ATOM 0 HE3 MET A 29 19.696 3.901 -7.271 1.00 25.00 H new ATOM 415 N TYR A 30 14.817 2.178 -3.225 1.00 25.00 N ATOM 416 CA TYR A 30 14.525 0.920 -2.527 1.00 25.00 C ATOM 417 C TYR A 30 13.018 0.771 -2.269 1.00 25.00 C ATOM 418 O TYR A 30 12.438 -0.239 -2.564 1.00 25.00 O ATOM 419 CB TYR A 30 15.276 0.968 -1.231 1.00 25.00 C ATOM 420 CG TYR A 30 15.222 -0.306 -0.378 1.00 25.00 C ATOM 421 CD1 TYR A 30 16.011 -1.473 -0.724 1.00 50.00 C ATOM 422 CD2 TYR A 30 14.415 -0.365 0.747 1.00 50.00 C ATOM 423 CE1 TYR A 30 15.866 -2.675 0.053 1.00 25.00 C ATOM 424 CE2 TYR A 30 14.356 -1.508 1.528 1.00 25.00 C ATOM 425 CZ TYR A 30 15.148 -2.639 1.230 1.00 25.00 C ATOM 426 OH TYR A 30 15.125 -3.728 2.093 1.00 25.00 O ATOM 0 H TYR A 30 15.312 2.909 -2.714 1.00 25.00 H new ATOM 0 HA TYR A 30 14.829 0.064 -3.129 1.00 25.00 H new ATOM 0 HB2 TYR A 30 16.320 1.194 -1.447 1.00 25.00 H new ATOM 0 HB3 TYR A 30 14.887 1.796 -0.638 1.00 25.00 H new ATOM 0 HD1 TYR A 30 16.699 -1.440 -1.555 1.00 50.00 H new ATOM 0 HD2 TYR A 30 13.822 0.495 1.020 1.00 50.00 H new ATOM 0 HE1 TYR A 30 16.316 -3.598 -0.283 1.00 25.00 H new ATOM 0 HE2 TYR A 30 13.693 -1.535 2.380 1.00 25.00 H new ATOM 0 HH TYR A 30 14.567 -3.517 2.871 1.00 25.00 H new ATOM 436 N GLU A 31 12.375 1.791 -1.706 1.00 25.00 N ATOM 437 CA GLU A 31 10.914 1.728 -1.500 1.00 25.00 C ATOM 438 C GLU A 31 10.262 3.098 -1.812 1.00 25.00 C ATOM 439 O GLU A 31 9.838 3.814 -0.877 1.00 25.00 O ATOM 440 CB GLU A 31 10.543 1.241 -0.155 1.00 25.00 C ATOM 441 CG GLU A 31 11.150 1.863 1.095 1.00 25.00 C ATOM 442 CD GLU A 31 10.669 1.252 2.441 1.00 25.00 C ATOM 443 OE1 GLU A 31 10.959 1.731 3.549 1.00 25.00 O ATOM 444 OE2 GLU A 31 9.934 0.248 2.380 1.00 25.00 O1- ATOM 0 H GLU A 31 12.819 2.653 -1.389 1.00 25.00 H new ATOM 0 HA GLU A 31 10.523 0.991 -2.202 1.00 25.00 H new ATOM 0 HB2 GLU A 31 9.461 1.337 -0.067 1.00 25.00 H new ATOM 0 HB3 GLU A 31 10.772 0.176 -0.126 1.00 25.00 H new ATOM 0 HG2 GLU A 31 12.234 1.768 1.038 1.00 25.00 H new ATOM 0 HG3 GLU A 31 10.923 2.929 1.097 1.00 25.00 H new ATOM 451 N PRO A 32 10.123 3.392 -3.109 1.00 25.00 N ATOM 452 CA PRO A 32 9.611 4.740 -3.298 1.00 25.00 C ATOM 453 C PRO A 32 8.141 4.946 -2.901 1.00 25.00 C ATOM 454 O PRO A 32 7.713 6.057 -2.547 1.00 25.00 O ATOM 455 CB PRO A 32 9.777 4.934 -4.794 1.00 25.00 C ATOM 456 CG PRO A 32 9.707 3.583 -5.400 1.00 25.00 C ATOM 457 CD PRO A 32 10.376 2.758 -4.404 1.00 25.00 C ATOM 0 HA PRO A 32 10.139 5.449 -2.661 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.994 5.579 -5.191 1.00 25.00 H new ATOM 0 HB3 PRO A 32 10.730 5.413 -5.020 1.00 25.00 H new ATOM 0 HG2 PRO A 32 8.678 3.265 -5.566 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.212 3.544 -6.365 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.990 1.739 -4.420 1.00 25.00 H new ATOM 0 HD3 PRO A 32 11.446 2.697 -4.605 1.00 25.00 H new ATOM 465 N GLN A 33 7.340 3.903 -2.832 1.00 25.00 N ATOM 466 CA GLN A 33 5.956 3.897 -2.457 1.00 25.00 C ATOM 467 C GLN A 33 5.711 3.906 -0.945 1.00 25.00 C ATOM 468 O GLN A 33 4.548 3.833 -0.522 1.00 25.00 O ATOM 469 CB GLN A 33 5.182 2.763 -3.062 1.00 25.00 C ATOM 470 CG GLN A 33 5.465 1.360 -2.495 1.00 25.00 C ATOM 471 CD GLN A 33 6.855 0.815 -2.642 1.00 25.00 C ATOM 472 OE1 GLN A 33 7.519 0.972 -3.667 1.00 25.00 O ATOM 473 NE2 GLN A 33 7.318 0.123 -1.637 1.00 25.00 N ATOM 0 H GLN A 33 7.675 2.966 -3.056 1.00 25.00 H new ATOM 0 HA GLN A 33 5.590 4.840 -2.864 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.119 2.972 -2.941 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.383 2.745 -4.133 1.00 25.00 H new ATOM 0 HG2 GLN A 33 5.220 1.372 -1.433 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.779 0.661 -2.972 1.00 25.00 H new ATOM 0 HE21 GLN A 33 6.753 0.004 -0.796 1.00 25.00 H new ATOM 0 HE22 GLN A 33 8.245 -0.299 -1.692 1.00 25.00 H new ATOM 482 N SER A 34 6.821 3.966 -0.159 1.00 25.00 N ATOM 483 CA SER A 34 6.764 3.979 1.310 1.00 25.00 C ATOM 484 C SER A 34 7.334 5.229 1.954 1.00 25.00 C ATOM 485 O SER A 34 8.605 5.387 2.122 1.00 25.00 O ATOM 486 CB SER A 34 7.371 2.730 1.900 1.00 25.00 C ATOM 487 OG SER A 34 7.262 2.541 3.307 1.00 25.00 O ATOM 0 H SER A 34 7.769 4.006 -0.533 1.00 25.00 H new ATOM 0 HA SER A 34 5.701 3.996 1.549 1.00 25.00 H new ATOM 0 HB2 SER A 34 6.913 1.871 1.410 1.00 25.00 H new ATOM 0 HB3 SER A 34 8.430 2.717 1.641 1.00 25.00 H new ATOM 0 HG SER A 34 6.524 3.084 3.654 1.00 25.00 H new ATOM 493 N LEU A 35 6.408 6.134 2.313 1.00 25.00 N ATOM 494 CA LEU A 35 6.725 7.108 3.354 1.00 25.00 C ATOM 495 C LEU A 35 5.570 6.873 4.285 1.00 25.00 C ATOM 496 O LEU A 35 4.372 6.710 3.825 1.00 25.00 O ATOM 497 CB LEU A 35 6.624 8.582 2.796 1.00 25.00 C ATOM 498 CG LEU A 35 7.788 9.053 1.911 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.426 10.380 1.314 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.078 9.097 2.763 1.00 50.00 C ATOM 0 H LEU A 35 5.473 6.207 1.913 1.00 25.00 H new ATOM 0 HA LEU A 35 7.724 7.003 3.778 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.701 8.669 2.223 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.539 9.264 3.642 1.00 25.00 H new ATOM 0 HG LEU A 35 7.975 8.366 1.086 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.242 10.730 0.682 1.00 50.00 H new ATOM 0 HD12 LEU A 35 6.522 10.275 0.714 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.250 11.102 2.111 1.00 50.00 H new ATOM 0 HD21 LEU A 35 9.911 9.430 2.144 1.00 50.00 H new ATOM 0 HD22 LEU A 35 8.942 9.790 3.593 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.291 8.102 3.153 1.00 50.00 H new ATOM 512 N GLU A 36 5.857 6.762 5.546 1.00 25.00 N ATOM 513 CA GLU A 36 4.872 6.323 6.555 1.00 25.00 C ATOM 514 C GLU A 36 4.645 7.323 7.669 1.00 25.00 C ATOM 515 O GLU A 36 5.599 7.901 8.204 1.00 25.00 O ATOM 516 CB GLU A 36 5.282 4.976 7.184 1.00 25.00 C ATOM 517 CG GLU A 36 5.716 3.853 6.169 1.00 25.00 C ATOM 518 CD GLU A 36 4.619 3.449 5.294 1.00 25.00 C ATOM 519 OE1 GLU A 36 4.874 3.262 4.031 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.465 3.363 5.722 1.00 25.00 O1- ATOM 0 H GLU A 36 6.778 6.968 5.932 1.00 25.00 H new ATOM 0 HA GLU A 36 3.936 6.222 6.005 1.00 25.00 H new ATOM 0 HB2 GLU A 36 6.106 5.154 7.875 1.00 25.00 H new ATOM 0 HB3 GLU A 36 4.446 4.602 7.775 1.00 25.00 H new ATOM 0 HG2 GLU A 36 6.548 4.214 5.564 1.00 25.00 H new ATOM 0 HG3 GLU A 36 6.077 2.985 6.722 1.00 25.00 H new ATOM 527 N ALA A 37 3.380 7.569 8.025 1.00 25.00 N ATOM 528 CA ALA A 37 2.959 8.511 9.074 1.00 25.00 C ATOM 529 C ALA A 37 1.922 7.841 10.011 1.00 25.00 C ATOM 530 O ALA A 37 0.958 7.327 9.519 1.00 25.00 O ATOM 531 CB ALA A 37 2.311 9.714 8.379 1.00 25.00 C ATOM 0 H ALA A 37 2.591 7.103 7.577 1.00 25.00 H new ATOM 0 HA ALA A 37 3.817 8.817 9.672 1.00 25.00 H new ATOM 0 HB1 ALA A 37 1.986 10.435 9.129 1.00 25.00 H new ATOM 0 HB2 ALA A 37 3.036 10.184 7.714 1.00 25.00 H new ATOM 0 HB3 ALA A 37 1.450 9.379 7.800 1.00 25.00 H new ATOM 537 N LYS A 38 2.101 7.806 11.314 1.00 25.00 N ATOM 538 CA LYS A 38 1.176 7.166 12.246 1.00 25.00 C ATOM 539 C LYS A 38 0.479 8.182 13.196 1.00 25.00 C ATOM 540 O LYS A 38 1.188 9.119 13.685 1.00 25.00 O ATOM 541 CB LYS A 38 1.881 6.050 12.973 1.00 25.00 C ATOM 542 CG LYS A 38 1.021 4.897 13.580 1.00 25.00 C ATOM 543 CD LYS A 38 1.910 3.706 14.079 1.00 25.00 C ATOM 544 CE LYS A 38 2.464 2.844 12.932 1.00 25.00 C ATOM 545 NZ LYS A 38 3.251 1.549 13.334 1.00 25.00 N1+ ATOM 0 H LYS A 38 2.908 8.228 11.772 1.00 25.00 H new ATOM 0 HA LYS A 38 0.358 6.727 11.676 1.00 25.00 H new ATOM 0 HB2 LYS A 38 2.595 5.603 12.281 1.00 25.00 H new ATOM 0 HB3 LYS A 38 2.458 6.495 13.783 1.00 25.00 H new ATOM 0 HG2 LYS A 38 0.431 5.283 14.411 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.317 4.536 12.830 1.00 25.00 H new ATOM 0 HD2 LYS A 38 2.741 4.101 14.663 1.00 25.00 H new ATOM 0 HD3 LYS A 38 1.322 3.077 14.747 1.00 25.00 H new ATOM 0 HE2 LYS A 38 1.630 2.550 12.295 1.00 25.00 H new ATOM 0 HE3 LYS A 38 3.123 3.467 12.327 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 3.572 1.057 12.476 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 4.075 1.809 13.912 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 2.629 0.921 13.881 1.00 25.00 H new ATOM 559 N LYS A 39 -0.833 8.047 13.308 1.00 25.00 N ATOM 560 CA LYS A 39 -1.630 9.004 14.037 1.00 25.00 C ATOM 561 C LYS A 39 -1.242 9.083 15.509 1.00 25.00 C ATOM 562 O LYS A 39 -0.701 8.131 16.032 1.00 25.00 O ATOM 563 CB LYS A 39 -3.074 8.606 13.939 1.00 25.00 C ATOM 564 CG LYS A 39 -3.985 9.817 13.713 1.00 25.00 C ATOM 565 CD LYS A 39 -5.475 9.436 13.683 1.00 25.00 C ATOM 566 CE LYS A 39 -6.283 10.705 13.533 1.00 25.00 C ATOM 567 NZ LYS A 39 -7.774 10.446 13.417 1.00 25.00 N1+ ATOM 0 H LYS A 39 -1.365 7.278 12.899 1.00 25.00 H new ATOM 0 HA LYS A 39 -1.456 9.985 13.595 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -3.201 7.898 13.120 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -3.372 8.093 14.853 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -3.816 10.547 14.504 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -3.717 10.298 12.772 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -5.677 8.756 12.855 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -5.753 8.914 14.599 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -6.097 11.351 14.391 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -5.943 11.244 12.648 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -8.277 11.351 13.317 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -7.959 9.852 12.583 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -8.109 9.957 14.272 1.00 25.00 H new ATOM 581 N GLY A 40 -1.433 10.230 16.153 1.00 25.00 N ATOM 582 CA GLY A 40 -1.115 10.398 17.575 1.00 25.00 C ATOM 583 C GLY A 40 0.345 10.530 17.872 1.00 25.00 C ATOM 584 O GLY A 40 1.068 10.958 17.037 1.00 25.00 O ATOM 0 H GLY A 40 -1.810 11.068 15.711 1.00 25.00 H new ATOM 0 HA2 GLY A 40 -1.630 11.283 17.948 1.00 25.00 H new ATOM 0 HA3 GLY A 40 -1.509 9.544 18.126 1.00 25.00 H new ATOM 588 N PHE A 41 0.745 10.075 19.038 1.00 25.00 N ATOM 589 CA PHE A 41 2.149 10.100 19.496 1.00 25.00 C ATOM 590 C PHE A 41 2.755 8.728 19.368 1.00 25.00 C ATOM 591 O PHE A 41 2.065 7.737 19.076 1.00 25.00 O ATOM 592 CB PHE A 41 2.066 10.625 20.901 1.00 25.00 C ATOM 593 CG PHE A 41 1.471 11.986 21.053 1.00 25.00 C ATOM 594 CD1 PHE A 41 2.230 13.061 20.601 1.00 25.00 C ATOM 595 CD2 PHE A 41 0.254 12.247 21.776 1.00 25.00 C ATOM 596 CE1 PHE A 41 1.807 14.337 20.744 1.00 25.00 C ATOM 597 CE2 PHE A 41 -0.219 13.562 21.884 1.00 25.00 C ATOM 598 CZ PHE A 41 0.593 14.633 21.447 1.00 25.00 C ATOM 0 H PHE A 41 0.106 9.666 19.720 1.00 25.00 H new ATOM 0 HA PHE A 41 2.810 10.734 18.904 1.00 25.00 H new ATOM 0 HB2 PHE A 41 1.480 9.925 21.496 1.00 25.00 H new ATOM 0 HB3 PHE A 41 3.071 10.639 21.323 1.00 25.00 H new ATOM 0 HD1 PHE A 41 3.180 12.871 20.124 1.00 25.00 H new ATOM 0 HD2 PHE A 41 -0.291 11.434 22.233 1.00 25.00 H new ATOM 0 HE1 PHE A 41 2.390 15.143 20.324 1.00 25.00 H new ATOM 0 HE2 PHE A 41 -1.197 13.755 22.298 1.00 25.00 H new ATOM 0 HZ PHE A 41 0.304 15.656 21.639 1.00 25.00 H new ATOM 608 N PRO A 42 4.067 8.608 19.466 1.00 25.00 N ATOM 609 CA PRO A 42 5.129 9.566 19.742 1.00 25.00 C ATOM 610 C PRO A 42 5.521 10.337 18.453 1.00 25.00 C ATOM 611 O PRO A 42 4.864 10.222 17.422 1.00 25.00 O ATOM 612 CB PRO A 42 6.296 8.684 20.140 1.00 25.00 C ATOM 613 CG PRO A 42 6.056 7.362 19.405 1.00 25.00 C ATOM 614 CD PRO A 42 4.575 7.211 19.489 1.00 25.00 C ATOM 0 HA PRO A 42 4.839 10.302 20.492 1.00 25.00 H new ATOM 0 HB2 PRO A 42 7.247 9.131 19.850 1.00 25.00 H new ATOM 0 HB3 PRO A 42 6.330 8.536 21.219 1.00 25.00 H new ATOM 0 HG2 PRO A 42 6.402 7.403 18.372 1.00 25.00 H new ATOM 0 HG3 PRO A 42 6.576 6.532 19.883 1.00 25.00 H new ATOM 0 HD2 PRO A 42 4.185 6.631 18.652 1.00 25.00 H new ATOM 0 HD3 PRO A 42 4.278 6.694 20.401 1.00 25.00 H new ATOM 622 N HIS A 43 6.619 11.063 18.518 1.00 25.00 N ATOM 623 CA HIS A 43 7.166 11.665 17.310 1.00 25.00 C ATOM 624 C HIS A 43 7.627 10.685 16.231 1.00 25.00 C ATOM 625 O HIS A 43 7.323 10.774 15.083 1.00 25.00 O ATOM 626 CB HIS A 43 8.317 12.610 17.751 1.00 25.00 C ATOM 627 CG HIS A 43 8.679 13.706 16.788 1.00 25.00 C ATOM 628 ND1 HIS A 43 9.193 13.465 15.508 1.00 25.00 N ATOM 629 CD2 HIS A 43 8.483 15.015 16.805 1.00 25.00 C ATOM 630 CE1 HIS A 43 9.348 14.612 14.867 1.00 25.00 C ATOM 631 NE2 HIS A 43 8.865 15.546 15.573 1.00 25.00 N ATOM 0 H HIS A 43 7.144 11.250 19.373 1.00 25.00 H new ATOM 0 HA HIS A 43 6.358 12.205 16.816 1.00 25.00 H new ATOM 0 HB2 HIS A 43 8.041 13.066 18.702 1.00 25.00 H new ATOM 0 HB3 HIS A 43 9.206 12.006 17.933 1.00 25.00 H new ATOM 0 HD1 HIS A 43 9.414 12.545 15.128 1.00 25.00 H new ATOM 0 HD2 HIS A 43 8.091 15.580 17.638 1.00 25.00 H new ATOM 0 HE1 HIS A 43 9.811 14.732 13.899 1.00 25.00 H new ATOM 639 N SER A 44 8.299 9.630 16.693 1.00 25.00 N ATOM 640 CA SER A 44 8.698 8.465 15.827 1.00 25.00 C ATOM 641 C SER A 44 9.601 8.856 14.616 1.00 25.00 C ATOM 642 O SER A 44 10.834 8.932 14.756 1.00 25.00 O ATOM 643 CB SER A 44 7.504 7.621 15.421 1.00 25.00 C ATOM 644 OG SER A 44 7.903 6.271 15.338 1.00 25.00 O ATOM 0 H SER A 44 8.591 9.537 17.666 1.00 25.00 H new ATOM 0 HA SER A 44 9.332 7.838 16.454 1.00 25.00 H new ATOM 0 HB2 SER A 44 6.700 7.732 16.148 1.00 25.00 H new ATOM 0 HB3 SER A 44 7.114 7.958 14.461 1.00 25.00 H new ATOM 0 HG SER A 44 7.136 5.719 15.078 1.00 25.00 H new ATOM 650 N GLY A 45 9.041 9.078 13.419 1.00 25.00 N ATOM 651 CA GLY A 45 9.898 9.516 12.334 1.00 25.00 C ATOM 652 C GLY A 45 10.581 10.850 12.606 1.00 25.00 C ATOM 653 O GLY A 45 10.177 11.586 13.557 1.00 25.00 O ATOM 0 H GLY A 45 8.053 8.967 13.193 1.00 25.00 H new ATOM 0 HA2 GLY A 45 10.659 8.757 12.152 1.00 25.00 H new ATOM 0 HA3 GLY A 45 9.305 9.598 11.423 1.00 25.00 H new ATOM 657 N PRO A 46 11.574 11.310 11.838 1.00 25.00 N ATOM 658 CA PRO A 46 12.218 12.626 11.972 1.00 25.00 C ATOM 659 C PRO A 46 11.339 13.773 11.600 1.00 25.00 C ATOM 660 O PRO A 46 10.321 13.640 10.919 1.00 25.00 O ATOM 661 CB PRO A 46 13.446 12.567 11.088 1.00 25.00 C ATOM 662 CG PRO A 46 13.143 11.648 10.103 1.00 25.00 C ATOM 663 CD PRO A 46 12.266 10.539 10.773 1.00 25.00 C ATOM 0 HA PRO A 46 12.462 12.812 13.018 1.00 25.00 H new ATOM 0 HB2 PRO A 46 13.669 13.544 10.659 1.00 25.00 H new ATOM 0 HB3 PRO A 46 14.325 12.260 11.655 1.00 25.00 H new ATOM 0 HG2 PRO A 46 12.605 12.124 9.283 1.00 25.00 H new ATOM 0 HG3 PRO A 46 14.052 11.219 9.681 1.00 25.00 H new ATOM 0 HD2 PRO A 46 11.564 10.091 10.070 1.00 25.00 H new ATOM 0 HD3 PRO A 46 12.871 9.729 11.180 1.00 25.00 H new ATOM 671 N ALA A 47 11.764 14.953 12.074 1.00 25.00 N ATOM 672 CA ALA A 47 11.129 16.224 11.735 1.00 25.00 C ATOM 673 C ALA A 47 11.478 16.648 10.313 1.00 25.00 C ATOM 674 O ALA A 47 12.221 17.639 10.077 1.00 25.00 O ATOM 675 CB ALA A 47 11.478 17.276 12.846 1.00 25.00 C ATOM 0 H ALA A 47 12.560 15.048 12.704 1.00 25.00 H new ATOM 0 HA ALA A 47 10.043 16.128 11.726 1.00 25.00 H new ATOM 0 HB1 ALA A 47 11.009 18.230 12.604 1.00 25.00 H new ATOM 0 HB2 ALA A 47 11.108 16.924 13.809 1.00 25.00 H new ATOM 0 HB3 ALA A 47 12.559 17.406 12.898 1.00 25.00 H new ATOM 681 N ASP A 48 10.962 15.908 9.365 1.00 25.00 N ATOM 682 CA ASP A 48 11.060 16.028 7.918 1.00 25.00 C ATOM 683 C ASP A 48 9.785 15.436 7.328 1.00 25.00 C ATOM 684 O ASP A 48 9.326 14.433 7.872 1.00 25.00 O ATOM 685 CB ASP A 48 12.318 15.310 7.372 1.00 25.00 C ATOM 686 CG ASP A 48 12.478 15.348 5.883 1.00 25.00 C ATOM 687 OD1 ASP A 48 12.109 16.328 5.205 1.00 25.00 O ATOM 688 OD2 ASP A 48 12.969 14.346 5.317 1.00 25.00 O1- ATOM 0 H ASP A 48 10.389 15.102 9.614 1.00 25.00 H new ATOM 0 HA ASP A 48 11.162 17.075 7.633 1.00 25.00 H new ATOM 0 HB2 ASP A 48 13.200 15.760 7.828 1.00 25.00 H new ATOM 0 HB3 ASP A 48 12.290 14.268 7.692 1.00 25.00 H new ATOM 693 N GLY A 49 9.195 16.030 6.334 1.00 25.00 N ATOM 694 CA GLY A 49 7.927 15.489 5.818 1.00 25.00 C ATOM 695 C GLY A 49 6.765 15.774 6.791 1.00 25.00 C ATOM 696 O GLY A 49 5.743 15.115 6.814 1.00 25.00 O ATOM 0 H GLY A 49 9.540 16.865 5.861 1.00 25.00 H new ATOM 0 HA2 GLY A 49 7.708 15.931 4.846 1.00 25.00 H new ATOM 0 HA3 GLY A 49 8.022 14.414 5.665 1.00 25.00 H new ATOM 700 N GLN A 50 6.946 16.738 7.680 1.00 25.00 N ATOM 701 CA GLN A 50 5.916 17.113 8.656 1.00 25.00 C ATOM 702 C GLN A 50 5.597 18.580 8.490 1.00 25.00 C ATOM 703 O GLN A 50 5.768 19.478 9.379 1.00 25.00 O ATOM 704 CB GLN A 50 6.472 16.788 10.046 1.00 25.00 C ATOM 705 CG GLN A 50 6.688 15.306 10.266 1.00 25.00 C ATOM 706 CD GLN A 50 7.108 14.898 11.748 1.00 25.00 C ATOM 707 OE1 GLN A 50 7.568 15.737 12.505 1.00 25.00 O ATOM 708 NE2 GLN A 50 6.946 13.665 12.131 1.00 25.00 N ATOM 0 H GLN A 50 7.804 17.285 7.751 1.00 25.00 H new ATOM 0 HA GLN A 50 4.985 16.564 8.512 1.00 25.00 H new ATOM 0 HB2 GLN A 50 7.418 17.312 10.184 1.00 25.00 H new ATOM 0 HB3 GLN A 50 5.785 17.166 10.803 1.00 25.00 H new ATOM 0 HG2 GLN A 50 5.770 14.778 10.007 1.00 25.00 H new ATOM 0 HG3 GLN A 50 7.460 14.961 9.578 1.00 25.00 H new ATOM 0 HE21 GLN A 50 6.560 12.977 11.485 1.00 25.00 H new ATOM 0 HE22 GLN A 50 7.205 13.387 13.078 1.00 25.00 H new ATOM 717 N ILE A 51 5.485 18.907 7.226 1.00 25.00 N ATOM 718 CA ILE A 51 5.610 20.224 6.716 1.00 25.00 C ATOM 719 C ILE A 51 4.301 20.928 6.883 1.00 25.00 C ATOM 720 O ILE A 51 4.232 22.094 7.123 1.00 25.00 O ATOM 721 CB ILE A 51 6.011 20.200 5.208 1.00 25.00 C ATOM 722 CG1 ILE A 51 7.241 19.326 4.974 1.00 25.00 C ATOM 723 CG2 ILE A 51 6.255 21.639 4.626 1.00 25.00 C ATOM 724 CD1 ILE A 51 7.401 18.831 3.411 1.00 25.00 C ATOM 0 H ILE A 51 5.295 18.217 6.499 1.00 25.00 H new ATOM 0 HA ILE A 51 6.393 20.749 7.264 1.00 25.00 H new ATOM 0 HB ILE A 51 5.164 19.768 4.675 1.00 25.00 H new ATOM 0 HG12 ILE A 51 8.133 19.881 5.265 1.00 25.00 H new ATOM 0 HG13 ILE A 51 7.185 18.451 5.621 1.00 25.00 H new ATOM 0 HG21 ILE A 51 6.531 21.564 3.574 1.00 25.00 H new ATOM 0 HG22 ILE A 51 5.344 22.229 4.721 1.00 25.00 H new ATOM 0 HG23 ILE A 51 7.060 22.123 5.179 1.00 25.00 H new ATOM 0 HD11 ILE A 51 8.295 18.214 3.314 1.00 25.00 H new ATOM 0 HD12 ILE A 51 6.526 18.249 3.122 1.00 25.00 H new ATOM 0 HD13 ILE A 51 7.489 19.701 2.761 1.00 25.00 H new ATOM 736 N ALA A 52 3.260 20.220 6.568 1.00 25.00 N ATOM 737 CA ALA A 52 1.864 20.820 6.659 1.00 25.00 C ATOM 738 C ALA A 52 1.458 21.036 8.138 1.00 25.00 C ATOM 739 O ALA A 52 0.753 22.013 8.381 1.00 25.00 O ATOM 740 CB ALA A 52 0.902 19.867 5.847 1.00 25.00 C ATOM 0 H ALA A 52 3.293 19.252 6.250 1.00 25.00 H new ATOM 0 HA ALA A 52 1.811 21.815 6.217 1.00 25.00 H new ATOM 0 HB1 ALA A 52 -0.115 20.259 5.884 1.00 25.00 H new ATOM 0 HB2 ALA A 52 1.233 19.814 4.810 1.00 25.00 H new ATOM 0 HB3 ALA A 52 0.923 18.869 6.286 1.00 25.00 H new ATOM 746 N SER A 53 1.916 20.220 9.100 1.00 25.00 N ATOM 747 CA SER A 53 1.556 20.571 10.506 1.00 25.00 C ATOM 748 C SER A 53 2.712 21.383 11.114 1.00 25.00 C ATOM 749 O SER A 53 2.726 21.878 12.306 1.00 25.00 O ATOM 750 CB SER A 53 1.261 19.307 11.338 1.00 25.00 C ATOM 751 OG SER A 53 0.701 19.689 12.579 1.00 25.00 O ATOM 0 H SER A 53 2.485 19.384 8.967 1.00 25.00 H new ATOM 0 HA SER A 53 0.645 21.170 10.514 1.00 25.00 H new ATOM 0 HB2 SER A 53 0.573 18.655 10.800 1.00 25.00 H new ATOM 0 HB3 SER A 53 2.178 18.740 11.498 1.00 25.00 H new ATOM 0 HG SER A 53 1.092 20.540 12.866 1.00 25.00 H new ATOM 757 N ALA A 54 3.770 21.518 10.310 1.00 25.00 N ATOM 758 CA ALA A 54 4.944 22.417 10.604 1.00 25.00 C ATOM 759 C ALA A 54 5.822 22.120 11.847 1.00 25.00 C ATOM 760 O ALA A 54 6.535 23.005 12.371 1.00 25.00 O ATOM 761 CB ALA A 54 4.503 23.840 10.638 1.00 25.00 C ATOM 0 H ALA A 54 3.859 21.015 9.427 1.00 25.00 H new ATOM 0 HA ALA A 54 5.615 22.197 9.774 1.00 25.00 H new ATOM 0 HB1 ALA A 54 5.358 24.481 10.851 1.00 25.00 H new ATOM 0 HB2 ALA A 54 4.077 24.112 9.672 1.00 25.00 H new ATOM 0 HB3 ALA A 54 3.750 23.969 11.416 1.00 25.00 H new ATOM 767 N GLY A 55 5.833 20.853 12.272 1.00 25.00 N ATOM 768 CA GLY A 55 6.779 20.430 13.252 1.00 25.00 C ATOM 769 C GLY A 55 8.124 20.171 12.537 1.00 25.00 C ATOM 770 O GLY A 55 9.151 20.220 13.211 1.00 25.00 O ATOM 0 H GLY A 55 5.197 20.126 11.944 1.00 25.00 H new ATOM 0 HA2 GLY A 55 6.897 21.193 14.022 1.00 25.00 H new ATOM 0 HA3 GLY A 55 6.432 19.525 13.751 1.00 25.00 H new ATOM 774 N GLY A 56 8.083 19.942 11.248 1.00 25.00 N ATOM 775 CA GLY A 56 9.294 19.616 10.422 1.00 25.00 C ATOM 776 C GLY A 56 9.556 20.366 9.093 1.00 25.00 C ATOM 777 O GLY A 56 9.967 19.735 8.171 1.00 25.00 O ATOM 0 H GLY A 56 7.218 19.969 10.708 1.00 25.00 H new ATOM 0 HA2 GLY A 56 10.168 19.767 11.056 1.00 25.00 H new ATOM 0 HA3 GLY A 56 9.249 18.552 10.189 1.00 25.00 H new ATOM 781 N LEU A 57 9.209 21.630 9.040 1.00 25.00 N ATOM 782 CA LEU A 57 9.229 22.385 7.760 1.00 25.00 C ATOM 783 C LEU A 57 10.479 23.187 7.502 1.00 25.00 C ATOM 784 O LEU A 57 10.713 23.686 6.434 1.00 25.00 O ATOM 785 CB LEU A 57 8.124 23.431 7.788 1.00 25.00 C ATOM 786 CG LEU A 57 7.835 24.539 8.833 1.00 25.00 C ATOM 787 CD1 LEU A 57 8.977 25.448 9.130 1.00 50.00 C ATOM 788 CD2 LEU A 57 6.754 25.398 8.142 1.00 50.00 C ATOM 0 H LEU A 57 8.908 22.175 9.848 1.00 25.00 H new ATOM 0 HA LEU A 57 9.132 21.616 6.994 1.00 25.00 H new ATOM 0 HB2 LEU A 57 8.225 23.964 6.842 1.00 25.00 H new ATOM 0 HB3 LEU A 57 7.199 22.856 7.733 1.00 25.00 H new ATOM 0 HG LEU A 57 7.574 24.073 9.783 1.00 25.00 H new ATOM 0 HD11 LEU A 57 8.671 26.186 9.872 1.00 50.00 H new ATOM 0 HD12 LEU A 57 9.813 24.867 9.519 1.00 50.00 H new ATOM 0 HD13 LEU A 57 9.284 25.958 8.216 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.470 26.221 8.797 1.00 50.00 H new ATOM 0 HD22 LEU A 57 7.149 25.797 7.208 1.00 50.00 H new ATOM 0 HD23 LEU A 57 5.879 24.783 7.933 1.00 50.00 H new ATOM 800 N PHE A 58 11.369 23.100 8.441 1.00 25.00 N ATOM 801 CA PHE A 58 12.731 23.486 8.112 1.00 25.00 C ATOM 802 C PHE A 58 13.377 22.280 7.274 1.00 25.00 C ATOM 803 O PHE A 58 14.356 22.443 6.523 1.00 25.00 O ATOM 804 CB PHE A 58 13.527 23.742 9.358 1.00 25.00 C ATOM 805 CG PHE A 58 12.996 24.844 10.229 1.00 25.00 C ATOM 806 CD1 PHE A 58 12.577 24.606 11.557 1.00 50.00 C ATOM 807 CD2 PHE A 58 12.948 26.155 9.747 1.00 50.00 C ATOM 808 CE1 PHE A 58 12.036 25.605 12.349 1.00 25.00 C ATOM 809 CE2 PHE A 58 12.500 27.184 10.578 1.00 25.00 C ATOM 810 CZ PHE A 58 11.941 26.884 11.821 1.00 25.00 C ATOM 0 H PHE A 58 11.205 22.784 9.397 1.00 25.00 H new ATOM 0 HA PHE A 58 12.735 24.408 7.530 1.00 25.00 H new ATOM 0 HB2 PHE A 58 13.566 22.823 9.943 1.00 25.00 H new ATOM 0 HB3 PHE A 58 14.551 23.983 9.075 1.00 25.00 H new ATOM 0 HD1 PHE A 58 12.682 23.613 11.968 1.00 50.00 H new ATOM 0 HD2 PHE A 58 13.256 26.372 8.735 1.00 50.00 H new ATOM 0 HE1 PHE A 58 11.697 25.394 13.352 1.00 25.00 H new ATOM 0 HE2 PHE A 58 12.586 28.212 10.259 1.00 25.00 H new ATOM 0 HZ PHE A 58 11.429 27.655 12.377 1.00 25.00 H new ATOM 820 N GLY A 59 12.664 21.175 7.282 1.00 25.00 N ATOM 821 CA GLY A 59 12.996 20.001 6.467 1.00 25.00 C ATOM 822 C GLY A 59 12.900 20.301 4.975 1.00 25.00 C ATOM 823 O GLY A 59 13.604 19.781 4.086 1.00 25.00 O ATOM 0 H GLY A 59 11.829 21.054 7.855 1.00 25.00 H new ATOM 0 HA2 GLY A 59 14.005 19.666 6.706 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.321 19.182 6.717 1.00 25.00 H new ATOM 827 N GLY A 60 12.068 21.312 4.679 1.00 25.00 N ATOM 828 CA GLY A 60 11.816 21.790 3.342 1.00 25.00 C ATOM 829 C GLY A 60 12.978 22.555 2.753 1.00 25.00 C ATOM 830 O GLY A 60 13.202 22.600 1.570 1.00 25.00 O ATOM 0 H GLY A 60 11.547 21.822 5.392 1.00 25.00 H new ATOM 0 HA2 GLY A 60 11.584 20.942 2.698 1.00 25.00 H new ATOM 0 HA3 GLY A 60 10.935 22.432 3.353 1.00 25.00 H new ATOM 834 N ILE A 61 13.743 23.143 3.693 1.00 25.00 N ATOM 835 CA ILE A 61 14.839 24.088 3.386 1.00 25.00 C ATOM 836 C ILE A 61 16.039 23.216 3.137 1.00 25.00 C ATOM 837 O ILE A 61 16.765 23.427 2.188 1.00 25.00 O ATOM 838 CB ILE A 61 15.187 25.108 4.543 1.00 25.00 C ATOM 839 CG1 ILE A 61 13.950 25.931 4.909 1.00 25.00 C ATOM 840 CG2 ILE A 61 16.311 26.033 4.000 1.00 25.00 C ATOM 841 CD1 ILE A 61 14.118 26.958 5.998 1.00 25.00 C ATOM 0 H ILE A 61 13.619 22.976 4.692 1.00 25.00 H new ATOM 0 HA ILE A 61 14.538 24.712 2.544 1.00 25.00 H new ATOM 0 HB ILE A 61 15.513 24.586 5.443 1.00 25.00 H new ATOM 0 HG12 ILE A 61 13.603 26.442 4.011 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.160 25.243 5.210 1.00 25.00 H new ATOM 0 HG21 ILE A 61 16.587 26.758 4.766 1.00 25.00 H new ATOM 0 HG22 ILE A 61 17.182 25.432 3.738 1.00 25.00 H new ATOM 0 HG23 ILE A 61 15.954 26.559 3.115 1.00 25.00 H new ATOM 0 HD11 ILE A 61 13.171 27.472 6.162 1.00 25.00 H new ATOM 0 HD12 ILE A 61 14.427 26.464 6.919 1.00 25.00 H new ATOM 0 HD13 ILE A 61 14.877 27.682 5.702 1.00 25.00 H new ATOM 853 N LEU A 62 16.144 22.184 3.936 1.00 25.00 N ATOM 854 CA LEU A 62 17.270 21.243 3.851 1.00 25.00 C ATOM 855 C LEU A 62 17.298 20.446 2.487 1.00 25.00 C ATOM 856 O LEU A 62 18.368 20.088 1.954 1.00 25.00 O ATOM 857 CB LEU A 62 17.073 20.222 4.955 1.00 25.00 C ATOM 858 CG LEU A 62 17.906 20.312 6.173 1.00 25.00 C ATOM 859 CD1 LEU A 62 17.658 21.661 7.010 1.00 75.00 C ATOM 860 CD2 LEU A 62 17.578 19.208 7.143 1.00 75.00 C ATOM 0 H LEU A 62 15.465 21.960 4.664 1.00 25.00 H new ATOM 0 HA LEU A 62 18.197 21.810 3.933 1.00 25.00 H new ATOM 0 HB2 LEU A 62 16.029 20.271 5.266 1.00 25.00 H new ATOM 0 HB3 LEU A 62 17.230 19.234 4.521 1.00 25.00 H new ATOM 0 HG LEU A 62 18.929 20.262 5.800 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.299 21.665 7.891 1.00 75.00 H new ATOM 0 HD12 LEU A 62 17.892 22.524 6.387 1.00 75.00 H new ATOM 0 HD13 LEU A 62 16.614 21.710 7.321 1.00 75.00 H new ATOM 0 HD21 LEU A 62 18.207 19.302 8.028 1.00 75.00 H new ATOM 0 HD22 LEU A 62 16.530 19.279 7.434 1.00 75.00 H new ATOM 0 HD23 LEU A 62 17.759 18.243 6.670 1.00 75.00 H new ATOM 872 N ASP A 63 16.137 20.118 1.930 1.00 25.00 N ATOM 873 CA ASP A 63 16.078 19.168 0.831 1.00 25.00 C ATOM 874 C ASP A 63 16.890 19.539 -0.401 1.00 25.00 C ATOM 875 O ASP A 63 17.234 18.738 -1.271 1.00 25.00 O ATOM 876 CB ASP A 63 14.606 19.155 0.503 1.00 25.00 C ATOM 877 CG ASP A 63 14.324 18.141 -0.621 1.00 25.00 C ATOM 878 OD1 ASP A 63 13.982 18.526 -1.751 1.00 50.00 O ATOM 879 OD2 ASP A 63 14.654 16.945 -0.390 1.00 50.00 O1- ATOM 0 H ASP A 63 15.234 20.493 2.220 1.00 25.00 H new ATOM 0 HA ASP A 63 16.511 18.211 1.123 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.030 18.895 1.391 1.00 25.00 H new ATOM 0 HB3 ASP A 63 14.285 20.150 0.195 1.00 25.00 H new ATOM 884 N GLN A 64 17.248 20.843 -0.547 1.00 25.00 N ATOM 885 CA GLN A 64 18.036 21.275 -1.726 1.00 25.00 C ATOM 886 C GLN A 64 19.489 20.963 -1.687 1.00 25.00 C ATOM 887 O GLN A 64 20.275 21.215 -2.637 1.00 25.00 O ATOM 888 CB GLN A 64 17.828 22.770 -1.899 1.00 25.00 C ATOM 889 CG GLN A 64 18.583 23.623 -0.818 1.00 25.00 C ATOM 890 CD GLN A 64 18.292 25.086 -0.795 1.00 25.00 C ATOM 891 OE1 GLN A 64 18.702 25.897 -1.609 1.00 25.00 O ATOM 892 NE2 GLN A 64 17.620 25.467 0.262 1.00 25.00 N ATOM 0 H GLN A 64 17.013 21.586 0.111 1.00 25.00 H new ATOM 0 HA GLN A 64 17.666 20.697 -2.573 1.00 25.00 H new ATOM 0 HB2 GLN A 64 18.169 23.066 -2.891 1.00 25.00 H new ATOM 0 HB3 GLN A 64 16.762 22.991 -1.849 1.00 25.00 H new ATOM 0 HG2 GLN A 64 18.347 23.214 0.164 1.00 25.00 H new ATOM 0 HG3 GLN A 64 19.655 23.492 -0.969 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.286 24.773 0.931 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.431 26.457 0.416 1.00 25.00 H new ATOM 901 N GLN A 65 19.833 20.200 -0.702 1.00 25.00 N ATOM 902 CA GLN A 65 21.135 19.478 -0.657 1.00 25.00 C ATOM 903 C GLN A 65 20.973 18.121 0.020 1.00 25.00 C ATOM 904 O GLN A 65 21.526 17.863 1.086 1.00 25.00 O ATOM 905 CB GLN A 65 22.200 20.360 0.027 1.00 25.00 C ATOM 906 CG GLN A 65 23.653 19.895 -0.116 1.00 25.00 C ATOM 907 CD GLN A 65 24.680 20.834 0.507 1.00 25.00 C ATOM 908 OE1 GLN A 65 24.406 21.449 1.561 1.00 25.00 O ATOM 909 NE2 GLN A 65 25.807 20.966 -0.114 1.00 25.00 N ATOM 0 H GLN A 65 19.242 20.036 0.113 1.00 25.00 H new ATOM 0 HA GLN A 65 21.479 19.281 -1.672 1.00 25.00 H new ATOM 0 HB2 GLN A 65 22.121 21.369 -0.378 1.00 25.00 H new ATOM 0 HB3 GLN A 65 21.963 20.423 1.089 1.00 25.00 H new ATOM 0 HG2 GLN A 65 23.753 18.911 0.342 1.00 25.00 H new ATOM 0 HG3 GLN A 65 23.881 19.778 -1.175 1.00 25.00 H new ATOM 0 HE21 GLN A 65 25.982 20.441 -0.971 1.00 25.00 H new ATOM 0 HE22 GLN A 65 26.521 21.595 0.253 1.00 25.00 H new ATOM 918 N SER A 66 20.132 17.281 -0.574 1.00 25.00 N ATOM 919 CA SER A 66 19.936 15.930 -0.010 1.00 25.00 C ATOM 920 C SER A 66 20.075 14.791 -1.123 1.00 25.00 C ATOM 921 O SER A 66 19.680 14.991 -2.320 1.00 25.00 O ATOM 922 CB SER A 66 18.542 15.882 0.636 1.00 25.00 C ATOM 923 OG SER A 66 18.228 14.648 1.116 1.00 25.00 O ATOM 0 H SER A 66 19.590 17.489 -1.413 1.00 25.00 H new ATOM 0 HA SER A 66 20.711 15.737 0.732 1.00 25.00 H new ATOM 0 HB2 SER A 66 18.498 16.606 1.450 1.00 25.00 H new ATOM 0 HB3 SER A 66 17.795 16.183 -0.099 1.00 25.00 H new ATOM 0 HG SER A 66 17.334 14.671 1.517 1.00 25.00 H new ATOM 929 N GLU A 67 20.484 13.592 -0.804 1.00 25.00 N ATOM 930 CA GLU A 67 20.308 12.486 -1.812 1.00 25.00 C ATOM 931 C GLU A 67 18.801 12.278 -2.053 1.00 25.00 C ATOM 932 O GLU A 67 18.402 11.718 -3.064 1.00 25.00 O ATOM 933 CB GLU A 67 20.885 11.194 -1.194 1.00 25.00 C ATOM 934 CG GLU A 67 22.410 11.125 -1.046 1.00 25.00 C ATOM 935 CD GLU A 67 22.964 9.845 -0.468 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.805 9.637 0.777 1.00 25.00 O ATOM 937 OE2 GLU A 67 23.565 9.044 -1.188 1.00 25.00 O1- ATOM 0 H GLU A 67 20.920 13.327 0.079 1.00 25.00 H new ATOM 0 HA GLU A 67 20.809 12.730 -2.749 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.441 11.060 -0.208 1.00 25.00 H new ATOM 0 HB3 GLU A 67 20.564 10.351 -1.805 1.00 25.00 H new ATOM 0 HG2 GLU A 67 22.857 11.280 -2.028 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.731 11.954 -0.415 1.00 25.00 H new ATOM 944 N ASN A 68 18.003 12.632 -1.036 1.00 25.00 N ATOM 945 CA ASN A 68 16.551 12.335 -1.140 1.00 25.00 C ATOM 946 C ASN A 68 15.802 13.503 -1.698 1.00 25.00 C ATOM 947 O ASN A 68 14.616 13.627 -1.416 1.00 25.00 O ATOM 948 CB ASN A 68 16.046 11.962 0.260 1.00 25.00 C ATOM 949 CG ASN A 68 16.699 10.716 0.840 1.00 25.00 C ATOM 950 OD1 ASN A 68 17.167 9.815 0.129 1.00 25.00 O ATOM 951 ND2 ASN A 68 16.520 10.544 2.097 1.00 25.00 N ATOM 0 H ASN A 68 18.303 13.096 -0.179 1.00 25.00 H new ATOM 0 HA ASN A 68 16.385 11.504 -1.826 1.00 25.00 H new ATOM 0 HB2 ASN A 68 16.223 12.800 0.934 1.00 25.00 H new ATOM 0 HB3 ASN A 68 14.968 11.809 0.218 1.00 25.00 H new ATOM 0 HD21 ASN A 68 16.764 9.653 2.530 1.00 25.00 H new ATOM 0 HD22 ASN A 68 16.134 11.298 2.665 1.00 25.00 H new ATOM 958 N ARG A 69 16.478 14.345 -2.452 1.00 25.00 N ATOM 959 CA ARG A 69 15.930 15.584 -3.073 1.00 25.00 C ATOM 960 C ARG A 69 14.879 15.245 -4.083 1.00 25.00 C ATOM 961 O ARG A 69 15.074 14.723 -5.141 1.00 25.00 O ATOM 962 CB ARG A 69 17.035 16.470 -3.641 1.00 25.00 C ATOM 963 CG ARG A 69 16.554 17.776 -4.324 1.00 25.00 C ATOM 964 CD ARG A 69 17.686 18.614 -4.802 1.00 25.00 C ATOM 965 NE ARG A 69 17.200 19.969 -5.162 1.00 25.00 N ATOM 966 CZ ARG A 69 17.890 21.016 -5.698 1.00 25.00 C ATOM 967 NH1 ARG A 69 19.207 20.986 -5.921 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 17.186 22.083 -5.928 1.00 25.00 N ATOM 0 H ARG A 69 17.464 14.201 -2.672 1.00 25.00 H new ATOM 0 HA ARG A 69 15.448 16.174 -2.293 1.00 25.00 H new ATOM 0 HB2 ARG A 69 17.718 16.733 -2.833 1.00 25.00 H new ATOM 0 HB3 ARG A 69 17.606 15.890 -4.366 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.909 17.526 -5.166 1.00 25.00 H new ATOM 0 HG3 ARG A 69 15.952 18.351 -3.620 1.00 25.00 H new ATOM 0 HD2 ARG A 69 18.448 18.687 -4.026 1.00 25.00 H new ATOM 0 HD3 ARG A 69 18.156 18.146 -5.667 1.00 25.00 H new ATOM 0 HE ARG A 69 16.211 20.142 -4.983 1.00 25.00 H new ATOM 0 HH11 ARG A 69 19.745 20.151 -5.688 1.00 25.00 H new ATOM 0 HH12 ARG A 69 19.675 21.798 -6.325 1.00 25.00 H new ATOM 0 HH21 ARG A 69 16.190 22.094 -5.708 1.00 25.00 H new ATOM 0 HH22 ARG A 69 17.629 22.910 -6.328 1.00 25.00 H new ATOM 982 N TRP A 70 13.752 15.468 -3.439 1.00 25.00 N ATOM 983 CA TRP A 70 12.398 15.379 -3.950 1.00 25.00 C ATOM 984 C TRP A 70 12.217 15.748 -5.414 1.00 25.00 C ATOM 985 O TRP A 70 12.837 16.673 -5.928 1.00 25.00 O ATOM 986 CB TRP A 70 11.505 16.349 -3.177 1.00 25.00 C ATOM 987 CG TRP A 70 11.598 16.177 -1.694 1.00 25.00 C ATOM 988 CD1 TRP A 70 12.094 15.159 -1.001 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.212 17.175 -0.716 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.940 15.380 0.381 1.00 25.00 N ATOM 991 CE2 TRP A 70 11.460 16.633 0.558 1.00 25.00 C ATOM 992 CE3 TRP A 70 10.723 18.481 -0.817 1.00 25.00 C ATOM 993 CZ2 TRP A 70 11.322 17.396 1.749 1.00 25.00 C ATOM 994 CZ3 TRP A 70 10.539 19.202 0.319 1.00 25.00 C ATOM 995 CH2 TRP A 70 10.782 18.657 1.607 1.00 25.00 C ATOM 0 H TRP A 70 13.761 15.741 -2.456 1.00 25.00 H new ATOM 0 HA TRP A 70 12.140 14.327 -3.833 1.00 25.00 H new ATOM 0 HB2 TRP A 70 11.780 17.372 -3.436 1.00 25.00 H new ATOM 0 HB3 TRP A 70 10.470 16.208 -3.489 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.552 14.283 -1.437 1.00 25.00 H new ATOM 0 HE1 TRP A 70 12.153 14.711 1.121 1.00 25.00 H new ATOM 0 HE3 TRP A 70 10.495 18.909 -1.782 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 11.623 17.010 2.712 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.197 20.223 0.240 1.00 25.00 H new ATOM 0 HH2 TRP A 70 10.541 19.237 2.486 1.00 25.00 H new ATOM 1006 N PHE A 71 11.408 14.956 -6.134 1.00 25.00 N ATOM 1007 CA PHE A 71 11.541 14.864 -7.544 1.00 25.00 C ATOM 1008 C PHE A 71 10.946 16.069 -8.216 1.00 25.00 C ATOM 1009 O PHE A 71 9.802 16.463 -7.907 1.00 25.00 O ATOM 1010 CB PHE A 71 11.022 13.571 -8.137 1.00 25.00 C ATOM 1011 CG PHE A 71 9.537 13.404 -8.076 1.00 25.00 C ATOM 1012 CD1 PHE A 71 8.963 12.810 -6.926 1.00 50.00 C ATOM 1013 CD2 PHE A 71 8.711 13.745 -9.137 1.00 50.00 C ATOM 1014 CE1 PHE A 71 7.596 12.595 -6.859 1.00 25.00 C ATOM 1015 CE2 PHE A 71 7.270 13.509 -9.077 1.00 25.00 C ATOM 1016 CZ PHE A 71 6.715 12.932 -7.939 1.00 25.00 C ATOM 0 H PHE A 71 10.664 14.382 -5.737 1.00 25.00 H new ATOM 0 HA PHE A 71 12.613 14.847 -7.743 1.00 25.00 H new ATOM 0 HB2 PHE A 71 11.337 13.513 -9.179 1.00 25.00 H new ATOM 0 HB3 PHE A 71 11.489 12.735 -7.616 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.594 12.523 -6.097 1.00 50.00 H new ATOM 0 HD2 PHE A 71 9.140 14.192 -10.022 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.180 12.159 -5.963 1.00 25.00 H new ATOM 0 HE2 PHE A 71 6.640 13.781 -9.911 1.00 25.00 H new ATOM 0 HZ PHE A 71 5.654 12.744 -7.871 1.00 25.00 H new ATOM 1026 N LYS A 72 11.741 16.682 -9.087 1.00 25.00 N ATOM 1027 CA LYS A 72 11.330 17.933 -9.716 1.00 25.00 C ATOM 1028 C LYS A 72 10.748 17.917 -11.105 1.00 25.00 C ATOM 1029 O LYS A 72 11.151 17.037 -11.850 1.00 25.00 O ATOM 1030 CB LYS A 72 12.466 18.950 -9.584 1.00 25.00 C ATOM 1031 CG LYS A 72 12.060 20.460 -9.658 1.00 25.00 C ATOM 1032 CD LYS A 72 13.210 21.322 -9.409 1.00 25.00 C ATOM 1033 CE LYS A 72 12.838 22.717 -9.395 1.00 25.00 C ATOM 1034 NZ LYS A 72 12.234 23.210 -8.069 1.00 25.00 N1+ ATOM 0 H LYS A 72 12.659 16.340 -9.370 1.00 25.00 H new ATOM 0 HA LYS A 72 10.442 18.216 -9.152 1.00 25.00 H new ATOM 0 HB2 LYS A 72 12.970 18.778 -8.633 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.194 18.753 -10.371 1.00 25.00 H new ATOM 0 HG2 LYS A 72 11.641 20.680 -10.640 1.00 25.00 H new ATOM 0 HG3 LYS A 72 11.280 20.667 -8.925 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.664 21.057 -8.454 1.00 25.00 H new ATOM 0 HD3 LYS A 72 13.964 21.154 -10.178 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.720 23.316 -9.621 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.118 22.895 -10.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 11.490 23.909 -8.265 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 11.825 22.405 -7.553 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 12.978 23.650 -7.491 1.00 25.00 H new ATOM 1048 N HIS A 73 9.805 18.813 -11.473 1.00 25.00 N ATOM 1049 CA HIS A 73 9.407 18.955 -12.910 1.00 25.00 C ATOM 1050 C HIS A 73 9.305 20.530 -13.078 1.00 25.00 C ATOM 1051 O HIS A 73 9.132 21.274 -12.107 1.00 25.00 O ATOM 1052 CB HIS A 73 8.040 18.317 -13.146 1.00 25.00 C ATOM 1053 CG HIS A 73 8.185 16.923 -13.690 1.00 25.00 C ATOM 1054 ND1 HIS A 73 8.563 16.599 -14.991 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.945 15.731 -13.113 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.510 15.261 -15.145 1.00 25.00 C ATOM 1057 NE2 HIS A 73 8.153 14.708 -14.025 1.00 25.00 N ATOM 0 H HIS A 73 9.315 19.433 -10.828 1.00 25.00 H new ATOM 0 HA HIS A 73 10.097 18.478 -13.605 1.00 25.00 H new ATOM 0 HB2 HIS A 73 7.480 18.290 -12.211 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.466 18.926 -13.844 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.635 15.592 -12.088 1.00 25.00 H new ATOM 0 HE1 HIS A 73 8.731 14.730 -16.059 1.00 25.00 H new ATOM 0 HE2 HIS A 73 8.046 13.709 -13.850 1.00 25.00 H new ATOM 1065 N ILE A 74 9.472 20.982 -14.308 1.00 25.00 N ATOM 1066 CA ILE A 74 9.280 22.413 -14.554 1.00 25.00 C ATOM 1067 C ILE A 74 7.937 22.326 -15.256 1.00 25.00 C ATOM 1068 O ILE A 74 7.750 21.375 -16.039 1.00 25.00 O ATOM 1069 CB ILE A 74 10.338 23.073 -15.438 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.772 22.800 -14.932 1.00 25.00 C ATOM 1071 CG2 ILE A 74 9.867 24.568 -15.708 1.00 25.00 C ATOM 1072 CD1 ILE A 74 12.953 23.267 -15.880 1.00 25.00 C ATOM 0 H ILE A 74 9.727 20.419 -15.119 1.00 25.00 H new ATOM 0 HA ILE A 74 9.343 23.031 -13.658 1.00 25.00 H new ATOM 0 HB ILE A 74 10.419 22.627 -16.429 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.893 23.292 -13.967 1.00 25.00 H new ATOM 0 HG13 ILE A 74 11.875 21.729 -14.759 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.600 25.072 -16.338 1.00 25.00 H new ATOM 0 HG22 ILE A 74 8.900 24.560 -16.212 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.777 25.098 -14.760 1.00 25.00 H new ATOM 0 HD11 ILE A 74 13.909 23.022 -15.418 1.00 25.00 H new ATOM 0 HD12 ILE A 74 12.872 22.757 -16.840 1.00 25.00 H new ATOM 0 HD13 ILE A 74 12.891 24.344 -16.035 1.00 25.00 H new ATOM 1084 N MET A 75 6.926 23.071 -14.780 1.00 25.00 N ATOM 1085 CA MET A 75 5.567 22.922 -15.171 1.00 25.00 C ATOM 1086 C MET A 75 4.945 24.275 -15.555 1.00 25.00 C ATOM 1087 O MET A 75 5.223 25.292 -14.948 1.00 25.00 O ATOM 1088 CB MET A 75 4.860 22.349 -13.950 1.00 25.00 C ATOM 1089 CG MET A 75 4.724 20.768 -13.876 1.00 25.00 C ATOM 1090 SD MET A 75 3.743 20.322 -12.411 1.00 25.00 S ATOM 1091 CE MET A 75 2.133 20.201 -13.140 1.00 25.00 C ATOM 0 H MET A 75 7.066 23.810 -14.091 1.00 25.00 H new ATOM 0 HA MET A 75 5.475 22.278 -16.046 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.392 22.686 -13.060 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.859 22.778 -13.905 1.00 25.00 H new ATOM 0 HG2 MET A 75 4.245 20.389 -14.779 1.00 25.00 H new ATOM 0 HG3 MET A 75 5.711 20.308 -13.822 1.00 25.00 H new ATOM 0 HE1 MET A 75 1.377 20.446 -12.394 1.00 25.00 H new ATOM 0 HE2 MET A 75 2.058 20.898 -13.975 1.00 25.00 H new ATOM 0 HE3 MET A 75 1.972 19.185 -13.500 1.00 25.00 H new ATOM 1101 N THR A 76 4.136 24.281 -16.599 1.00 25.00 N ATOM 1102 CA THR A 76 3.360 25.483 -16.979 1.00 25.00 C ATOM 1103 C THR A 76 2.162 25.793 -16.125 1.00 25.00 C ATOM 1104 O THR A 76 1.698 24.989 -15.348 1.00 25.00 O ATOM 1105 CB THR A 76 2.812 25.266 -18.391 1.00 25.00 C ATOM 1106 OG1 THR A 76 2.238 23.963 -18.504 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.003 25.232 -19.447 1.00 25.00 C ATOM 0 H THR A 76 3.989 23.476 -17.208 1.00 25.00 H new ATOM 0 HA THR A 76 4.059 26.312 -16.870 1.00 25.00 H new ATOM 0 HB THR A 76 2.098 26.069 -18.574 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.889 23.837 -19.411 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.598 25.077 -20.447 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.543 26.178 -19.417 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.684 24.417 -19.201 1.00 25.00 H new ATOM 1115 N GLY A 77 1.591 26.960 -16.427 1.00 25.00 N ATOM 1116 CA GLY A 77 0.323 27.402 -15.837 1.00 25.00 C ATOM 1117 C GLY A 77 -0.766 26.616 -16.587 1.00 25.00 C ATOM 1118 O GLY A 77 -0.569 25.801 -17.558 1.00 25.00 O ATOM 0 H GLY A 77 1.993 27.626 -17.087 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.293 27.194 -14.767 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.186 28.477 -15.957 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.963 26.942 -16.167 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.114 26.467 -16.783 1.00 25.00 C ATOM 1124 C GLY A 78 -3.613 25.209 -16.117 1.00 25.00 C ATOM 1125 O GLY A 78 -3.160 24.920 -15.081 1.00 25.00 O ATOM 0 H GLY A 78 -2.137 27.557 -15.372 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.890 27.232 -16.748 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.910 26.268 -17.835 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.586 24.501 -16.668 1.00 25.00 N ATOM 1130 CA GLU A 79 -5.151 23.274 -16.044 1.00 25.00 C ATOM 1131 C GLU A 79 -4.288 22.050 -16.288 1.00 25.00 C ATOM 1132 O GLU A 79 -3.701 21.928 -17.350 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.602 22.982 -16.497 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.594 24.127 -16.215 1.00 25.00 C ATOM 1135 CD GLU A 79 -9.048 23.687 -16.438 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -9.860 23.821 -15.503 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -9.428 23.246 -17.570 1.00 25.00 O1- ATOM 0 H GLU A 79 -5.019 24.745 -17.559 1.00 25.00 H new ATOM 0 HA GLU A 79 -5.165 23.483 -14.974 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -6.602 22.772 -17.567 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.953 22.080 -15.995 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.471 24.470 -15.188 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.367 24.973 -16.863 1.00 25.00 H new ATOM 1144 N HIS A 80 -4.118 21.273 -15.239 1.00 25.00 N ATOM 1145 CA HIS A 80 -3.195 20.063 -15.206 1.00 25.00 C ATOM 1146 C HIS A 80 -3.894 18.958 -14.512 1.00 25.00 C ATOM 1147 O HIS A 80 -4.841 19.210 -13.735 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.903 20.472 -14.502 1.00 25.00 C ATOM 1149 CG HIS A 80 -1.022 21.363 -15.336 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.104 20.939 -16.292 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.969 22.720 -15.395 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.497 21.966 -16.831 1.00 25.00 C ATOM 1153 NE2 HIS A 80 -0.012 23.058 -16.320 1.00 25.00 N ATOM 0 H HIS A 80 -4.603 21.430 -14.356 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.939 19.715 -16.207 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -2.151 20.986 -13.573 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.346 19.575 -14.231 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -1.570 23.408 -14.819 1.00 25.00 H new ATOM 0 HE1 HIS A 80 1.281 21.921 -17.573 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.259 24.009 -16.569 1.00 25.00 H new ATOM 1161 N THR A 81 -3.439 17.741 -14.699 1.00 25.00 N ATOM 1162 CA THR A 81 -4.007 16.603 -14.060 1.00 25.00 C ATOM 1163 C THR A 81 -3.010 16.028 -13.069 1.00 25.00 C ATOM 1164 O THR A 81 -1.826 15.699 -13.404 1.00 25.00 O ATOM 1165 CB THR A 81 -4.342 15.495 -15.088 1.00 25.00 C ATOM 1166 OG1 THR A 81 -4.956 16.099 -16.227 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.305 14.505 -14.627 1.00 25.00 C ATOM 0 H THR A 81 -2.652 17.523 -15.310 1.00 25.00 H new ATOM 0 HA THR A 81 -4.920 16.924 -13.559 1.00 25.00 H new ATOM 0 HB THR A 81 -3.393 14.997 -15.287 1.00 25.00 H new ATOM 0 HG1 THR A 81 -5.930 16.022 -16.153 1.00 25.00 H new ATOM 0 HG21 THR A 81 -5.477 13.770 -15.414 1.00 25.00 H new ATOM 0 HG22 THR A 81 -4.916 14.004 -13.741 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.245 14.999 -14.381 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.533 15.801 -11.862 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.749 15.115 -10.871 1.00 25.00 C ATOM 1177 C PHE A 82 -3.432 13.835 -10.488 1.00 25.00 C ATOM 1178 O PHE A 82 -4.577 13.852 -10.101 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.521 15.967 -9.568 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.585 17.160 -9.729 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.226 17.159 -9.294 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.078 18.316 -10.330 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.541 18.363 -9.323 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.291 19.448 -10.531 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.020 19.472 -10.005 1.00 25.00 C ATOM 0 H PHE A 82 -4.469 16.078 -11.567 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.774 14.926 -11.320 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.487 16.328 -9.215 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.122 15.314 -8.791 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.225 16.243 -8.941 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.109 18.335 -10.652 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.501 18.418 -8.831 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.677 20.294 -11.080 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.629 20.355 -10.130 1.00 25.00 H new ATOM 1195 N THR A 83 -2.774 12.756 -10.762 1.00 25.00 N ATOM 1196 CA THR A 83 -3.281 11.425 -10.606 1.00 25.00 C ATOM 1197 C THR A 83 -2.316 10.447 -10.010 1.00 25.00 C ATOM 1198 O THR A 83 -1.161 10.280 -10.449 1.00 25.00 O ATOM 1199 CB THR A 83 -3.578 10.814 -12.029 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.425 11.764 -12.670 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.351 9.528 -11.984 1.00 25.00 C ATOM 0 H THR A 83 -1.819 12.777 -11.119 1.00 25.00 H new ATOM 0 HA THR A 83 -4.145 11.544 -9.952 1.00 25.00 H new ATOM 0 HB THR A 83 -2.629 10.611 -12.526 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.534 11.521 -13.613 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.518 9.168 -12.999 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.786 8.783 -11.423 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.311 9.698 -11.497 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.841 9.695 -9.104 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.156 8.478 -8.615 1.00 25.00 C ATOM 1211 C TRP A 84 -3.026 7.359 -9.035 1.00 25.00 C ATOM 1212 O TRP A 84 -4.211 7.588 -9.354 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.024 8.544 -7.106 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.188 9.679 -6.594 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.490 10.541 -7.334 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -0.891 9.955 -5.213 1.00 25.00 C ATOM 1217 NE1 TRP A 84 0.074 11.466 -6.562 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -0.075 11.138 -5.236 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -1.296 9.384 -3.963 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 0.430 11.713 -4.051 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -0.813 10.008 -2.788 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -0.021 11.166 -2.875 1.00 25.00 C ATOM 0 H TRP A 84 -3.744 9.876 -8.666 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.148 8.364 -9.013 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.021 8.621 -6.672 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.594 7.607 -6.752 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.396 10.495 -8.409 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.550 12.300 -6.906 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -1.940 8.518 -3.919 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 1.130 12.535 -4.068 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -1.054 9.593 -1.821 1.00 25.00 H new ATOM 0 HH2 TRP A 84 0.252 11.659 -1.954 1.00 25.00 H new ATOM 1233 N THR A 85 -2.481 6.133 -9.065 1.00 25.00 N ATOM 1234 CA THR A 85 -3.191 4.928 -9.528 1.00 25.00 C ATOM 1235 C THR A 85 -2.710 3.758 -8.729 1.00 25.00 C ATOM 1236 O THR A 85 -1.552 3.723 -8.222 1.00 25.00 O ATOM 1237 CB THR A 85 -2.921 4.672 -11.035 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.599 3.480 -11.465 1.00 25.00 O ATOM 1239 CG2 THR A 85 -1.452 4.421 -11.357 1.00 25.00 C ATOM 0 H THR A 85 -1.524 5.947 -8.765 1.00 25.00 H new ATOM 0 HA THR A 85 -4.263 5.070 -9.394 1.00 25.00 H new ATOM 0 HB THR A 85 -3.267 5.576 -11.537 1.00 25.00 H new ATOM 0 HG1 THR A 85 -3.423 3.329 -12.417 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.338 4.250 -12.427 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.862 5.289 -11.063 1.00 25.00 H new ATOM 0 HG23 THR A 85 -1.104 3.544 -10.811 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.545 2.755 -8.464 1.00 25.00 N ATOM 1248 CA TYR A 86 -3.048 1.591 -7.761 1.00 25.00 C ATOM 1249 C TYR A 86 -3.858 0.334 -8.339 1.00 25.00 C ATOM 1250 O TYR A 86 -5.039 0.469 -8.744 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.092 1.688 -6.225 1.00 25.00 C ATOM 1252 CG TYR A 86 -2.532 0.420 -5.532 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.388 -0.281 -4.680 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -1.227 -0.081 -5.813 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -2.958 -1.556 -4.136 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -0.850 -1.378 -5.324 1.00 25.00 C ATOM 1257 CZ TYR A 86 -1.707 -2.076 -4.489 1.00 25.00 C ATOM 1258 OH TYR A 86 -1.241 -3.228 -3.921 1.00 25.00 O ATOM 0 H TYR A 86 -4.533 2.729 -8.718 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.979 1.490 -7.946 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -2.518 2.557 -5.903 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -4.121 1.849 -5.904 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -4.358 0.121 -4.429 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -0.529 0.509 -6.388 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -3.601 -2.102 -3.461 1.00 25.00 H new ATOM 0 HE2 TYR A 86 0.100 -1.808 -5.607 1.00 25.00 H new ATOM 0 HH TYR A 86 -0.357 -3.439 -4.287 1.00 25.00 H new ATOM 1268 N THR A 87 -3.194 -0.813 -8.350 1.00 25.00 N ATOM 1269 CA THR A 87 -3.765 -1.917 -9.051 1.00 25.00 C ATOM 1270 C THR A 87 -4.938 -2.709 -8.360 1.00 25.00 C ATOM 1271 O THR A 87 -5.403 -3.663 -8.904 1.00 25.00 O ATOM 1272 CB THR A 87 -2.690 -2.996 -9.423 1.00 25.00 C ATOM 1273 OG1 THR A 87 -2.063 -3.519 -8.198 1.00 25.00 O ATOM 1274 CG2 THR A 87 -1.552 -2.470 -10.362 1.00 25.00 C ATOM 0 H THR A 87 -2.297 -0.986 -7.897 1.00 25.00 H new ATOM 0 HA THR A 87 -4.189 -1.399 -9.911 1.00 25.00 H new ATOM 0 HB THR A 87 -3.231 -3.770 -9.967 1.00 25.00 H new ATOM 0 HG1 THR A 87 -1.393 -4.194 -8.436 1.00 25.00 H new ATOM 0 HG21 THR A 87 -0.850 -3.278 -10.571 1.00 25.00 H new ATOM 0 HG22 THR A 87 -1.986 -2.116 -11.297 1.00 25.00 H new ATOM 0 HG23 THR A 87 -1.026 -1.650 -9.873 1.00 25.00 H new ATOM 1282 N ALA A 88 -5.344 -2.252 -7.180 1.00 25.00 N ATOM 1283 CA ALA A 88 -6.507 -2.772 -6.433 1.00 25.00 C ATOM 1284 C ALA A 88 -7.208 -1.607 -5.760 1.00 25.00 C ATOM 1285 O ALA A 88 -6.540 -0.611 -5.441 1.00 25.00 O ATOM 1286 CB ALA A 88 -5.966 -3.790 -5.357 1.00 25.00 C ATOM 0 H ALA A 88 -4.868 -1.491 -6.696 1.00 25.00 H new ATOM 0 HA ALA A 88 -7.216 -3.275 -7.091 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -6.802 -4.194 -4.786 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -5.441 -4.604 -5.858 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -5.280 -3.277 -4.683 1.00 25.00 H new ATOM 1292 N PRO A 89 -8.475 -1.766 -5.391 1.00 25.00 N ATOM 1293 CA PRO A 89 -9.027 -0.655 -4.552 1.00 25.00 C ATOM 1294 C PRO A 89 -8.371 -0.637 -3.144 1.00 25.00 C ATOM 1295 O PRO A 89 -7.770 -1.623 -2.633 1.00 25.00 O ATOM 1296 CB PRO A 89 -10.482 -0.976 -4.531 1.00 25.00 C ATOM 1297 CG PRO A 89 -10.598 -2.500 -4.596 1.00 25.00 C ATOM 1298 CD PRO A 89 -9.489 -2.831 -5.637 1.00 25.00 C ATOM 0 HA PRO A 89 -8.830 0.347 -4.934 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -10.950 -0.591 -3.625 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -10.993 -0.513 -5.375 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -10.412 -2.970 -3.630 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -11.585 -2.826 -4.925 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -9.074 -3.827 -5.483 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -9.870 -2.798 -6.658 1.00 25.00 H new ATOM 1306 N HIS A 90 -8.562 0.490 -2.506 1.00 25.00 N ATOM 1307 CA HIS A 90 -8.324 0.487 -1.030 1.00 25.00 C ATOM 1308 C HIS A 90 -9.290 1.236 -0.189 1.00 25.00 C ATOM 1309 O HIS A 90 -9.914 2.148 -0.612 1.00 25.00 O ATOM 1310 CB HIS A 90 -7.036 1.125 -0.730 1.00 0.00 C ATOM 1311 CG HIS A 90 -5.803 0.264 -0.788 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -5.646 -0.904 -0.142 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -4.617 0.504 -1.399 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -4.441 -1.315 -0.336 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -3.691 -0.444 -0.993 1.00 0.00 N ATOM 0 H HIS A 90 -8.859 1.374 -2.918 1.00 25.00 H new ATOM 0 HA HIS A 90 -8.399 -0.573 -0.787 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -6.901 1.953 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.099 1.555 0.269 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -6.359 -1.383 0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.424 1.308 -2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -4.079 -2.274 0.003 1.00 0.00 H new ATOM 1323 N ASN A 91 -9.416 0.747 1.022 1.00 25.00 N ATOM 1324 CA ASN A 91 -10.245 1.466 1.995 1.00 25.00 C ATOM 1325 C ASN A 91 -9.470 2.707 2.392 1.00 25.00 C ATOM 1326 O ASN A 91 -8.310 2.547 2.838 1.00 25.00 O ATOM 1327 CB ASN A 91 -10.546 0.640 3.218 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.507 -0.493 2.962 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -12.581 -0.332 2.403 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -11.066 -1.655 3.214 1.00 25.00 N ATOM 0 H ASN A 91 -8.980 -0.110 1.361 1.00 25.00 H new ATOM 0 HA ASN A 91 -11.208 1.708 1.544 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -9.614 0.233 3.609 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -10.960 1.288 3.991 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -11.611 -2.476 2.949 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -10.167 -1.769 3.682 1.00 25.00 H new ATOM 1337 N THR A 92 -10.015 3.890 2.198 1.00 25.00 N ATOM 1338 CA THR A 92 -9.291 5.121 2.404 1.00 25.00 C ATOM 1339 C THR A 92 -10.400 5.975 2.980 1.00 25.00 C ATOM 1340 O THR A 92 -11.525 5.875 2.535 1.00 25.00 O ATOM 1341 CB THR A 92 -8.816 5.655 0.944 1.00 25.00 C ATOM 1342 OG1 THR A 92 -7.924 4.766 0.346 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.252 7.040 0.967 1.00 25.00 C ATOM 0 H THR A 92 -10.979 4.022 1.891 1.00 25.00 H new ATOM 0 HA THR A 92 -8.399 5.084 3.029 1.00 25.00 H new ATOM 0 HB THR A 92 -9.721 5.705 0.339 1.00 25.00 H new ATOM 0 HG1 THR A 92 -8.018 4.814 -0.628 1.00 25.00 H new ATOM 0 HG21 THR A 92 -7.956 7.329 -0.042 1.00 25.00 H new ATOM 0 HG22 THR A 92 -9.007 7.734 1.337 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.381 7.067 1.622 1.00 25.00 H new ATOM 1351 N SER A 93 -10.095 6.782 4.009 1.00 25.00 N ATOM 1352 CA SER A 93 -11.067 7.704 4.496 1.00 25.00 C ATOM 1353 C SER A 93 -11.148 8.922 3.607 1.00 25.00 C ATOM 1354 O SER A 93 -12.228 9.363 3.101 1.00 25.00 O ATOM 1355 CB SER A 93 -10.768 8.166 5.915 1.00 25.00 C ATOM 1356 OG SER A 93 -9.377 8.582 5.867 1.00 25.00 O ATOM 0 H SER A 93 -9.198 6.797 4.494 1.00 25.00 H new ATOM 0 HA SER A 93 -12.017 7.170 4.494 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.420 8.988 6.212 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.919 7.363 6.636 1.00 25.00 H new ATOM 0 HG SER A 93 -9.145 9.045 6.699 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.995 9.476 3.303 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.900 10.704 2.446 1.00 25.00 C ATOM 1364 C GLN A 94 -8.443 10.862 1.933 1.00 25.00 C ATOM 1365 O GLN A 94 -7.555 10.217 2.511 1.00 25.00 O ATOM 1366 CB GLN A 94 -10.365 11.927 3.202 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.472 12.360 4.326 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.041 13.574 4.997 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -10.266 14.599 4.467 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -10.194 13.413 6.297 1.00 25.00 N ATOM 0 H GLN A 94 -9.094 9.119 3.622 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.559 10.596 1.585 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.464 12.754 2.498 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -11.359 11.730 3.604 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.366 11.551 5.049 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -8.475 12.579 3.945 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -9.990 12.511 6.727 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.516 14.191 6.873 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.157 11.832 1.096 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.824 12.281 0.729 1.00 25.00 C ATOM 1381 C TRP A 95 -6.854 13.737 0.536 1.00 25.00 C ATOM 1382 O TRP A 95 -7.919 14.307 0.219 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.351 11.496 -0.467 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.268 11.301 -1.569 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.291 10.390 -1.658 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.264 11.964 -2.836 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.921 10.410 -2.880 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.286 11.334 -3.612 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -6.544 13.047 -3.378 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.610 11.789 -4.947 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -6.814 13.449 -4.692 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -7.849 12.811 -5.442 1.00 25.00 C ATOM 0 H TRP A 95 -8.888 12.363 0.623 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.094 12.092 1.516 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.462 11.991 -0.858 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.040 10.512 -0.116 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -8.572 9.727 -0.853 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -9.713 9.836 -3.170 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.796 13.559 -2.790 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.410 11.345 -5.521 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -6.237 14.245 -5.140 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -8.039 13.153 -6.449 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.728 14.395 0.717 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.604 15.837 0.652 1.00 25.00 C ATOM 1405 C HIS A 96 -4.468 16.214 -0.299 1.00 25.00 C ATOM 1406 O HIS A 96 -3.532 15.416 -0.391 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.229 16.386 2.043 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.913 15.722 3.163 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.930 16.381 3.818 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.860 14.494 3.804 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.413 15.636 4.744 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.780 14.496 4.808 1.00 25.00 N ATOM 0 H HIS A 96 -4.845 13.926 0.920 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.553 16.250 0.310 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.152 16.287 2.181 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.458 17.451 2.074 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -5.202 13.676 3.551 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -8.235 15.915 5.386 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.944 13.748 5.482 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.415 17.446 -0.816 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.255 18.097 -1.449 1.00 25.00 C ATOM 1422 C TYR A 97 -3.248 19.484 -0.842 1.00 25.00 C ATOM 1423 O TYR A 97 -4.258 20.105 -0.478 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.404 18.192 -2.965 1.00 25.00 C ATOM 1425 CG TYR A 97 -2.949 16.938 -3.741 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -3.656 15.748 -3.702 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -1.820 17.019 -4.559 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -3.298 14.664 -4.609 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -1.501 15.981 -5.401 1.00 25.00 C ATOM 1430 CZ TYR A 97 -2.302 14.857 -5.515 1.00 25.00 C ATOM 1431 OH TYR A 97 -2.007 13.873 -6.370 1.00 25.00 O ATOM 0 H TYR A 97 -5.232 18.057 -0.805 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.336 17.537 -1.279 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -4.450 18.388 -3.201 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.831 19.049 -3.319 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.469 15.623 -3.003 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -1.196 17.900 -4.530 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -3.818 13.718 -4.562 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -0.599 16.044 -5.991 1.00 25.00 H new ATOM 0 HH TYR A 97 -1.367 13.259 -5.953 1.00 25.00 H new ATOM 1441 N TYR A 98 -2.058 19.988 -0.723 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.810 21.316 -0.176 1.00 25.00 C ATOM 1443 C TYR A 98 -0.730 21.881 -1.065 1.00 25.00 C ATOM 1444 O TYR A 98 -0.031 21.087 -1.746 1.00 25.00 O ATOM 1445 CB TYR A 98 -1.214 21.195 1.235 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.908 20.262 2.204 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.608 18.895 2.306 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.917 20.793 3.086 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.165 18.097 3.334 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.493 20.012 4.086 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.105 18.649 4.248 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.629 17.924 5.274 1.00 25.00 O ATOM 0 H TYR A 98 -1.211 19.494 -1.003 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.719 21.915 -0.131 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -0.178 20.870 1.137 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -1.195 22.190 1.680 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -0.940 18.444 1.587 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -3.234 21.819 2.969 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -1.874 17.061 3.425 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.237 20.441 4.741 1.00 25.00 H new ATOM 0 HH TYR A 98 -4.252 18.483 5.785 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.445 23.181 -0.962 1.00 25.00 N ATOM 1463 CA ILE A 99 0.735 23.839 -1.626 1.00 25.00 C ATOM 1464 C ILE A 99 1.327 24.773 -0.535 1.00 25.00 C ATOM 1465 O ILE A 99 0.707 25.049 0.454 1.00 25.00 O ATOM 1466 CB ILE A 99 0.295 24.590 -2.923 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.742 25.674 -2.623 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.199 23.585 -3.966 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.991 26.653 -3.686 1.00 25.00 C ATOM 0 H ILE A 99 -1.015 23.829 -0.418 1.00 25.00 H new ATOM 0 HA ILE A 99 1.488 23.130 -1.970 1.00 25.00 H new ATOM 0 HB ILE A 99 1.160 25.106 -3.338 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.686 25.186 -2.381 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.424 26.213 -1.730 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.504 24.116 -4.867 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.604 22.889 -4.209 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -1.049 23.033 -3.565 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.744 27.367 -3.354 1.00 25.00 H new ATOM 0 HD12 ILE A 99 -0.066 27.182 -3.918 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.348 26.138 -4.578 1.00 25.00 H new ATOM 1481 N THR A 100 2.583 25.133 -0.779 1.00 25.00 N ATOM 1482 CA THR A 100 3.312 26.032 0.125 1.00 25.00 C ATOM 1483 C THR A 100 3.787 27.217 -0.724 1.00 25.00 C ATOM 1484 O THR A 100 3.909 27.105 -1.956 1.00 25.00 O ATOM 1485 CB THR A 100 4.413 25.307 0.827 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.007 26.161 1.847 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.477 24.822 -0.038 1.00 25.00 C ATOM 0 H THR A 100 3.119 24.821 -1.589 1.00 25.00 H new ATOM 0 HA THR A 100 2.679 26.406 0.930 1.00 25.00 H new ATOM 0 HB THR A 100 3.935 24.429 1.261 1.00 25.00 H new ATOM 0 HG1 THR A 100 5.726 25.675 2.302 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.229 24.310 0.562 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.063 24.128 -0.770 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.937 25.664 -0.555 1.00 25.00 H new ATOM 1495 N LYS A 101 3.870 28.401 -0.099 1.00 25.00 N ATOM 1496 CA LYS A 101 4.157 29.619 -0.934 1.00 25.00 C ATOM 1497 C LYS A 101 5.380 30.328 -0.337 1.00 25.00 C ATOM 1498 O LYS A 101 5.276 31.101 0.620 1.00 25.00 O ATOM 1499 CB LYS A 101 2.893 30.532 -0.999 1.00 25.00 C ATOM 1500 CG LYS A 101 1.673 29.927 -1.713 1.00 25.00 C ATOM 1501 CD LYS A 101 0.560 31.070 -1.936 1.00 25.00 C ATOM 1502 CE LYS A 101 -0.738 30.444 -2.398 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.829 31.420 -2.758 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.756 28.558 0.902 1.00 25.00 H new ATOM 0 HA LYS A 101 4.390 29.348 -1.964 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.603 30.794 0.019 1.00 25.00 H new ATOM 0 HB3 LYS A 101 3.163 31.460 -1.502 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.972 29.504 -2.672 1.00 25.00 H new ATOM 0 HG3 LYS A 101 1.259 29.112 -1.120 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.399 31.619 -1.008 1.00 25.00 H new ATOM 0 HD3 LYS A 101 0.910 31.790 -2.676 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -0.532 29.818 -3.266 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -1.106 29.786 -1.611 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -2.753 31.016 -2.506 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -1.686 32.309 -2.237 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -1.801 31.610 -3.780 1.00 25.00 H new ATOM 1517 N LYS A 102 6.573 30.040 -0.831 1.00 25.00 N ATOM 1518 CA LYS A 102 7.749 30.843 -0.498 1.00 25.00 C ATOM 1519 C LYS A 102 7.611 32.309 -0.936 1.00 25.00 C ATOM 1520 O LYS A 102 6.628 32.703 -1.594 1.00 25.00 O ATOM 1521 CB LYS A 102 9.017 30.145 -1.081 1.00 25.00 C ATOM 1522 CG LYS A 102 10.478 30.647 -0.583 1.00 25.00 C ATOM 1523 CD LYS A 102 11.637 29.907 -1.260 1.00 25.00 C ATOM 1524 CE LYS A 102 12.915 30.507 -0.768 1.00 25.00 C ATOM 1525 NZ LYS A 102 14.126 30.050 -1.535 1.00 25.00 N1+ ATOM 0 H LYS A 102 6.757 29.260 -1.462 1.00 25.00 H new ATOM 0 HA LYS A 102 7.849 30.895 0.586 1.00 25.00 H new ATOM 0 HB2 LYS A 102 8.940 29.080 -0.860 1.00 25.00 H new ATOM 0 HB3 LYS A 102 8.983 30.249 -2.165 1.00 25.00 H new ATOM 0 HG2 LYS A 102 10.574 31.715 -0.779 1.00 25.00 H new ATOM 0 HG3 LYS A 102 10.552 30.513 0.496 1.00 25.00 H new ATOM 0 HD2 LYS A 102 11.600 28.843 -1.025 1.00 25.00 H new ATOM 0 HD3 LYS A 102 11.566 29.997 -2.344 1.00 25.00 H new ATOM 0 HE2 LYS A 102 12.845 31.593 -0.829 1.00 25.00 H new ATOM 0 HE3 LYS A 102 13.044 30.254 0.284 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 14.976 30.503 -1.143 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 14.217 29.017 -1.457 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 14.023 30.314 -2.536 1.00 25.00 H new ATOM 1539 N GLY A 103 8.462 33.179 -0.453 1.00 25.00 N ATOM 1540 CA GLY A 103 8.265 34.615 -0.691 1.00 25.00 C ATOM 1541 C GLY A 103 7.372 35.207 0.408 1.00 25.00 C ATOM 1542 O GLY A 103 6.755 36.216 0.262 1.00 25.00 O ATOM 0 H GLY A 103 9.286 32.941 0.098 1.00 25.00 H new ATOM 0 HA2 GLY A 103 9.228 35.126 -0.705 1.00 25.00 H new ATOM 0 HA3 GLY A 103 7.807 34.772 -1.668 1.00 25.00 H new ATOM 1546 N TRP A 104 7.338 34.471 1.520 1.00 25.00 N ATOM 1547 CA TRP A 104 6.620 34.878 2.760 1.00 25.00 C ATOM 1548 C TRP A 104 7.376 36.003 3.489 1.00 25.00 C ATOM 1549 O TRP A 104 8.546 36.273 3.266 1.00 25.00 O ATOM 1550 CB TRP A 104 6.467 33.645 3.642 1.00 25.00 C ATOM 1551 CG TRP A 104 7.687 32.804 3.772 1.00 25.00 C ATOM 1552 CD1 TRP A 104 8.882 33.229 4.294 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.865 31.429 3.397 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.810 32.194 4.144 1.00 25.00 N ATOM 1555 CE2 TRP A 104 9.221 31.098 3.629 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.949 30.417 3.042 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 9.693 29.838 3.428 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 7.452 29.108 2.832 1.00 25.00 C ATOM 1559 CH2 TRP A 104 8.837 28.814 3.006 1.00 25.00 C ATOM 0 H TRP A 104 7.806 33.568 1.601 1.00 25.00 H new ATOM 0 HA TRP A 104 5.635 35.274 2.512 1.00 25.00 H new ATOM 0 HB2 TRP A 104 6.159 33.966 4.637 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.662 33.029 3.242 1.00 25.00 H new ATOM 0 HD1 TRP A 104 9.073 34.193 4.742 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.797 32.260 4.391 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.896 30.633 2.933 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 10.739 29.626 3.596 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 6.775 28.320 2.535 1.00 25.00 H new ATOM 0 HH2 TRP A 104 9.217 27.821 2.816 1.00 25.00 H new ATOM 1570 N ASP A 105 6.665 36.715 4.330 1.00 25.00 N ATOM 1571 CA ASP A 105 7.152 37.682 5.278 1.00 25.00 C ATOM 1572 C ASP A 105 7.794 36.785 6.342 1.00 25.00 C ATOM 1573 O ASP A 105 7.151 35.859 6.845 1.00 25.00 O ATOM 1574 CB ASP A 105 5.999 38.532 5.834 1.00 25.00 C ATOM 1575 CG ASP A 105 6.441 39.569 6.823 1.00 25.00 C ATOM 1576 OD1 ASP A 105 5.901 40.719 6.775 1.00 25.00 O ATOM 1577 OD2 ASP A 105 7.389 39.324 7.621 1.00 25.00 O1- ATOM 0 H ASP A 105 5.650 36.624 4.370 1.00 25.00 H new ATOM 0 HA ASP A 105 7.847 38.413 4.865 1.00 25.00 H new ATOM 0 HB2 ASP A 105 5.490 39.025 5.006 1.00 25.00 H new ATOM 0 HB3 ASP A 105 5.271 37.875 6.310 1.00 25.00 H new ATOM 1582 N PRO A 106 9.052 37.026 6.743 1.00 25.00 N ATOM 1583 CA PRO A 106 9.541 36.096 7.826 1.00 25.00 C ATOM 1584 C PRO A 106 8.998 36.324 9.259 1.00 25.00 C ATOM 1585 O PRO A 106 9.033 35.399 10.058 1.00 25.00 O ATOM 1586 CB PRO A 106 11.060 36.413 7.817 1.00 25.00 C ATOM 1587 CG PRO A 106 11.109 37.825 7.375 1.00 25.00 C ATOM 1588 CD PRO A 106 10.140 37.907 6.290 1.00 25.00 C ATOM 0 HA PRO A 106 9.220 35.076 7.614 1.00 25.00 H new ATOM 0 HB2 PRO A 106 11.504 36.285 8.804 1.00 25.00 H new ATOM 0 HB3 PRO A 106 11.604 35.759 7.136 1.00 25.00 H new ATOM 0 HG2 PRO A 106 10.851 38.504 8.188 1.00 25.00 H new ATOM 0 HG3 PRO A 106 12.108 38.099 7.035 1.00 25.00 H new ATOM 0 HD2 PRO A 106 9.793 38.929 6.136 1.00 25.00 H new ATOM 0 HD3 PRO A 106 10.565 37.569 5.345 1.00 25.00 H new ATOM 1596 N ASP A 107 8.598 37.541 9.648 1.00 25.00 N ATOM 1597 CA ASP A 107 8.378 37.879 11.050 1.00 25.00 C ATOM 1598 C ASP A 107 6.991 37.382 11.459 1.00 25.00 C ATOM 1599 O ASP A 107 6.529 37.785 12.534 1.00 25.00 O ATOM 1600 CB ASP A 107 8.489 39.337 11.270 1.00 25.00 C ATOM 1601 CG ASP A 107 8.763 39.682 12.761 1.00 25.00 C ATOM 1602 OD1 ASP A 107 9.598 38.981 13.320 1.00 75.00 O ATOM 1603 OD2 ASP A 107 8.238 40.634 13.348 1.00 75.00 O1- ATOM 0 H ASP A 107 8.420 38.310 9.002 1.00 25.00 H new ATOM 0 HA ASP A 107 9.142 37.398 11.661 1.00 25.00 H new ATOM 0 HB2 ASP A 107 9.293 39.737 10.652 1.00 25.00 H new ATOM 0 HB3 ASP A 107 7.568 39.823 10.949 1.00 25.00 H new ATOM 1608 N LYS A 108 6.350 36.757 10.476 1.00 25.00 N ATOM 1609 CA LYS A 108 4.881 36.502 10.397 1.00 25.00 C ATOM 1610 C LYS A 108 4.555 34.958 10.366 1.00 25.00 C ATOM 1611 O LYS A 108 5.470 34.176 10.148 1.00 25.00 O ATOM 1612 CB LYS A 108 4.362 37.383 9.252 1.00 25.00 C ATOM 1613 CG LYS A 108 4.237 38.867 9.581 1.00 25.00 C ATOM 1614 CD LYS A 108 3.079 39.114 10.460 1.00 25.00 C ATOM 1615 CE LYS A 108 2.859 40.579 10.799 1.00 25.00 C ATOM 1616 NZ LYS A 108 2.161 41.311 9.723 1.00 25.00 N1+ ATOM 0 H LYS A 108 6.848 36.390 9.665 1.00 25.00 H new ATOM 0 HA LYS A 108 4.330 36.795 11.291 1.00 25.00 H new ATOM 0 HB2 LYS A 108 5.030 37.271 8.398 1.00 25.00 H new ATOM 0 HB3 LYS A 108 3.385 37.012 8.943 1.00 25.00 H new ATOM 0 HG2 LYS A 108 5.149 39.214 10.067 1.00 25.00 H new ATOM 0 HG3 LYS A 108 4.129 39.440 8.660 1.00 25.00 H new ATOM 0 HD2 LYS A 108 2.182 38.725 9.979 1.00 25.00 H new ATOM 0 HD3 LYS A 108 3.213 38.554 11.386 1.00 25.00 H new ATOM 0 HE2 LYS A 108 2.279 40.652 11.719 1.00 25.00 H new ATOM 0 HE3 LYS A 108 3.822 41.053 10.991 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 2.036 42.305 10.004 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 2.725 41.266 8.850 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 1.230 40.878 9.556 1.00 25.00 H new ATOM 1630 N PRO A 109 3.287 34.506 10.568 1.00 25.00 N ATOM 1631 CA PRO A 109 2.738 33.140 10.477 1.00 25.00 C ATOM 1632 C PRO A 109 2.991 32.198 9.342 1.00 25.00 C ATOM 1633 O PRO A 109 2.126 31.345 9.030 1.00 25.00 O ATOM 1634 CB PRO A 109 1.225 33.404 10.374 1.00 25.00 C ATOM 1635 CG PRO A 109 1.043 34.493 11.304 1.00 25.00 C ATOM 1636 CD PRO A 109 2.190 35.409 10.946 1.00 25.00 C ATOM 0 HA PRO A 109 3.220 32.629 11.310 1.00 25.00 H new ATOM 0 HB2 PRO A 109 0.927 33.678 9.362 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.639 32.528 10.652 1.00 25.00 H new ATOM 0 HG2 PRO A 109 0.077 34.981 11.177 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.097 34.158 12.340 1.00 25.00 H new ATOM 0 HD2 PRO A 109 1.924 36.074 10.124 1.00 25.00 H new ATOM 0 HD3 PRO A 109 2.470 36.041 11.789 1.00 25.00 H new ATOM 1644 N LEU A 110 4.143 32.266 8.664 1.00 25.00 N ATOM 1645 CA LEU A 110 4.407 31.495 7.473 1.00 25.00 C ATOM 1646 C LEU A 110 4.157 29.956 7.617 1.00 25.00 C ATOM 1647 O LEU A 110 3.769 29.355 6.669 1.00 25.00 O ATOM 1648 CB LEU A 110 5.860 31.722 7.040 1.00 25.00 C ATOM 1649 CG LEU A 110 7.042 31.445 8.035 1.00 25.00 C ATOM 1650 CD1 LEU A 110 7.608 30.023 7.784 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.033 32.477 7.804 1.00 50.00 C ATOM 0 H LEU A 110 4.918 32.869 8.941 1.00 25.00 H new ATOM 0 HA LEU A 110 3.695 31.848 6.727 1.00 25.00 H new ATOM 0 HB2 LEU A 110 6.032 31.106 6.157 1.00 25.00 H new ATOM 0 HB3 LEU A 110 5.943 32.762 6.724 1.00 25.00 H new ATOM 0 HG LEU A 110 6.720 31.476 9.076 1.00 25.00 H new ATOM 0 HD11 LEU A 110 8.429 29.831 8.475 1.00 50.00 H new ATOM 0 HD12 LEU A 110 6.821 29.285 7.941 1.00 50.00 H new ATOM 0 HD13 LEU A 110 7.972 29.952 6.759 1.00 50.00 H new ATOM 0 HD21 LEU A 110 8.878 32.327 8.475 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.377 32.427 6.771 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.590 33.455 7.992 1.00 50.00 H new ATOM 1663 N LYS A 111 4.297 29.407 8.853 1.00 25.00 N ATOM 1664 CA LYS A 111 4.053 27.930 9.101 1.00 25.00 C ATOM 1665 C LYS A 111 2.587 27.579 9.023 1.00 25.00 C ATOM 1666 O LYS A 111 2.226 26.362 9.082 1.00 25.00 O ATOM 1667 CB LYS A 111 4.649 27.543 10.435 1.00 25.00 C ATOM 1668 CG LYS A 111 3.964 27.955 11.708 1.00 25.00 C ATOM 1669 CD LYS A 111 4.816 27.792 12.981 1.00 25.00 C ATOM 1670 CE LYS A 111 5.320 26.458 13.310 1.00 25.00 C ATOM 1671 NZ LYS A 111 6.121 26.387 14.542 1.00 25.00 N1+ ATOM 0 H LYS A 111 4.569 29.934 9.683 1.00 25.00 H new ATOM 0 HA LYS A 111 4.544 27.358 8.314 1.00 25.00 H new ATOM 0 HB2 LYS A 111 4.735 26.457 10.449 1.00 25.00 H new ATOM 0 HB3 LYS A 111 5.662 27.944 10.467 1.00 25.00 H new ATOM 0 HG2 LYS A 111 3.662 28.999 11.621 1.00 25.00 H new ATOM 0 HG3 LYS A 111 3.052 27.368 11.820 1.00 25.00 H new ATOM 0 HD2 LYS A 111 5.673 28.460 12.896 1.00 25.00 H new ATOM 0 HD3 LYS A 111 4.222 28.141 13.826 1.00 25.00 H new ATOM 0 HE2 LYS A 111 4.473 25.778 13.404 1.00 25.00 H new ATOM 0 HE3 LYS A 111 5.926 26.099 12.478 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 6.435 25.408 14.696 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 6.951 27.007 14.452 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 5.544 26.696 15.350 1.00 25.00 H new ATOM 1685 N ARG A 112 1.750 28.608 9.058 1.00 25.00 N ATOM 1686 CA ARG A 112 0.259 28.549 9.066 1.00 25.00 C ATOM 1687 C ARG A 112 -0.325 29.176 7.852 1.00 25.00 C ATOM 1688 O ARG A 112 -0.940 28.545 7.086 1.00 25.00 O ATOM 1689 CB ARG A 112 -0.225 29.282 10.311 1.00 25.00 C ATOM 1690 CG ARG A 112 0.186 28.727 11.672 1.00 25.00 C ATOM 1691 CD ARG A 112 -0.277 27.233 11.871 1.00 25.00 C ATOM 1692 NE ARG A 112 -0.021 26.726 13.241 1.00 25.00 N ATOM 1693 CZ ARG A 112 0.249 25.480 13.655 1.00 25.00 C ATOM 1694 NH1 ARG A 112 0.523 24.475 12.837 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 0.325 25.288 14.964 1.00 25.00 N ATOM 0 H ARG A 112 2.093 29.568 9.083 1.00 25.00 H new ATOM 0 HA ARG A 112 -0.060 27.507 9.072 1.00 25.00 H new ATOM 0 HB2 ARG A 112 0.126 30.312 10.250 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -1.314 29.314 10.278 1.00 25.00 H new ATOM 0 HG2 ARG A 112 1.270 28.786 11.774 1.00 25.00 H new ATOM 0 HG3 ARG A 112 -0.243 29.346 12.460 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -1.342 27.156 11.654 1.00 25.00 H new ATOM 0 HD3 ARG A 112 0.241 26.599 11.152 1.00 25.00 H new ATOM 0 HE ARG A 112 -0.056 27.430 13.978 1.00 25.00 H new ATOM 0 HH11 ARG A 112 0.537 24.627 11.829 1.00 25.00 H new ATOM 0 HH12 ARG A 112 0.720 23.549 13.216 1.00 25.00 H new ATOM 0 HH21 ARG A 112 0.180 26.070 15.603 1.00 25.00 H new ATOM 0 HH22 ARG A 112 0.528 24.359 15.332 1.00 25.00 H new ATOM 1709 N ALA A 113 -0.079 30.441 7.631 1.00 25.00 N ATOM 1710 CA ALA A 113 -0.751 31.217 6.587 1.00 25.00 C ATOM 1711 C ALA A 113 -0.171 31.048 5.182 1.00 25.00 C ATOM 1712 O ALA A 113 -0.868 31.118 4.207 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.668 32.658 6.983 1.00 25.00 C ATOM 0 H ALA A 113 0.599 30.980 8.170 1.00 25.00 H new ATOM 0 HA ALA A 113 -1.774 30.848 6.519 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -1.159 33.272 6.228 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -1.162 32.800 7.944 1.00 25.00 H new ATOM 0 HB3 ALA A 113 0.378 32.953 7.066 1.00 25.00 H new ATOM 1719 N ASP A 114 1.077 30.696 5.123 1.00 25.00 N ATOM 1720 CA ASP A 114 1.816 30.594 3.855 1.00 25.00 C ATOM 1721 C ASP A 114 1.988 29.189 3.397 1.00 25.00 C ATOM 1722 O ASP A 114 2.874 28.869 2.586 1.00 25.00 O ATOM 1723 CB ASP A 114 3.170 31.353 3.991 1.00 25.00 C ATOM 1724 CG ASP A 114 2.981 32.854 4.101 1.00 25.00 C ATOM 1725 OD1 ASP A 114 3.288 33.470 5.105 1.00 25.00 O ATOM 1726 OD2 ASP A 114 2.470 33.451 3.107 1.00 25.00 O1- ATOM 0 H ASP A 114 1.634 30.465 5.946 1.00 25.00 H new ATOM 0 HA ASP A 114 1.226 31.068 3.071 1.00 25.00 H new ATOM 0 HB2 ASP A 114 3.700 30.990 4.872 1.00 25.00 H new ATOM 0 HB3 ASP A 114 3.797 31.130 3.128 1.00 25.00 H new ATOM 1731 N PHE A 115 1.046 28.307 3.763 1.00 25.00 N ATOM 1732 CA PHE A 115 0.789 27.118 3.054 1.00 25.00 C ATOM 1733 C PHE A 115 -0.740 27.029 3.026 1.00 25.00 C ATOM 1734 O PHE A 115 -1.406 27.455 3.935 1.00 25.00 O ATOM 1735 CB PHE A 115 1.481 25.894 3.663 1.00 25.00 C ATOM 1736 CG PHE A 115 0.648 25.131 4.701 1.00 25.00 C ATOM 1737 CD1 PHE A 115 0.559 25.633 5.962 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -0.116 23.963 4.345 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -0.316 25.065 6.920 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -0.954 23.351 5.283 1.00 25.00 C ATOM 1741 CZ PHE A 115 -1.007 23.848 6.579 1.00 25.00 C ATOM 0 H PHE A 115 0.449 28.434 4.580 1.00 25.00 H new ATOM 0 HA PHE A 115 1.205 27.132 2.046 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.749 25.209 2.859 1.00 25.00 H new ATOM 0 HB3 PHE A 115 2.411 26.216 4.131 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.168 26.481 6.238 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -0.041 23.557 3.347 1.00 50.00 H new ATOM 0 HE1 PHE A 115 -0.462 25.533 7.882 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -1.555 22.499 5.002 1.00 25.00 H new ATOM 0 HZ PHE A 115 -1.569 23.319 7.335 1.00 25.00 H new ATOM 1751 N GLU A 116 -1.282 26.390 1.997 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.692 26.283 1.819 1.00 25.00 C ATOM 1753 C GLU A 116 -3.110 24.848 1.559 1.00 25.00 C ATOM 1754 O GLU A 116 -2.530 24.207 0.684 1.00 25.00 O ATOM 1755 CB GLU A 116 -3.197 27.136 0.702 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.993 28.631 0.769 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.815 29.391 -0.310 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.635 29.172 -1.554 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -4.692 30.179 0.042 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.736 25.934 1.266 1.00 25.00 H new ATOM 0 HA GLU A 116 -3.133 26.635 2.752 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -2.732 26.782 -0.218 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -4.268 26.954 0.608 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -3.278 28.990 1.758 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.934 28.856 0.641 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.329 24.484 2.021 1.00 25.00 N ATOM 1767 CA LEU A 117 -5.022 23.353 1.417 1.00 25.00 C ATOM 1768 C LEU A 117 -5.357 23.778 -0.056 1.00 25.00 C ATOM 1769 O LEU A 117 -5.940 24.848 -0.243 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.285 22.998 2.229 1.00 25.00 C ATOM 1771 CG LEU A 117 -7.085 21.763 1.864 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.330 20.471 2.305 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.469 21.746 2.521 1.00 50.00 C ATOM 0 H LEU A 117 -4.827 24.945 2.782 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.408 22.452 1.415 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.985 22.896 3.272 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.960 23.852 2.174 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.208 21.791 0.781 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.920 19.595 2.035 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.363 20.426 1.804 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.179 20.488 3.384 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -9.000 20.841 2.227 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -8.357 21.765 3.605 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -9.035 22.620 2.199 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.163 22.928 -1.058 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.629 23.234 -2.405 1.00 25.00 C ATOM 1787 C ILE A 118 -6.819 22.290 -2.718 1.00 25.00 C ATOM 1788 O ILE A 118 -7.563 22.546 -3.657 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.454 23.201 -3.373 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.916 23.829 -4.706 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.925 21.728 -3.615 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.748 23.985 -5.773 1.00 25.00 C ATOM 0 H ILE A 118 -4.690 22.029 -0.965 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.019 24.246 -2.509 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.625 23.765 -2.945 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.708 23.213 -5.133 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.348 24.810 -4.506 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.087 21.752 -4.312 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.597 21.299 -2.668 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.726 21.118 -4.032 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.145 24.433 -6.684 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.966 24.625 -5.365 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.331 23.004 -6.002 1.00 25.00 H new ATOM 1804 N GLY A 119 -7.024 21.211 -1.932 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.265 20.510 -1.930 1.00 25.00 C ATOM 1806 C GLY A 119 -8.189 19.302 -1.081 1.00 25.00 C ATOM 1807 O GLY A 119 -7.031 18.768 -0.927 1.00 25.00 O ATOM 0 H GLY A 119 -6.323 20.828 -1.298 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -9.056 21.165 -1.566 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.529 20.227 -2.949 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.326 18.802 -0.599 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.380 17.463 -0.109 1.00 25.00 C ATOM 1813 C ALA A 120 -10.480 16.660 -0.735 1.00 25.00 C ATOM 1814 O ALA A 120 -11.497 17.269 -1.170 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.532 17.458 1.390 1.00 25.00 C ATOM 0 H ALA A 120 -10.206 19.315 -0.546 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.437 16.991 -0.386 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.572 16.429 1.748 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.682 17.968 1.844 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.453 17.973 1.664 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.285 15.356 -0.849 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.212 14.419 -1.441 1.00 25.00 C ATOM 1823 C VAL A 121 -11.574 13.246 -0.570 1.00 25.00 C ATOM 1824 O VAL A 121 -10.682 12.436 -0.218 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.680 13.846 -2.835 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.726 12.967 -3.542 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.224 15.002 -3.737 1.00 50.00 C ATOM 0 H VAL A 121 -9.433 14.906 -0.513 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.111 15.018 -1.583 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.826 13.202 -2.626 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.317 12.602 -4.484 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -11.981 12.120 -2.904 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.622 13.555 -3.739 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -9.863 14.603 -4.685 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.063 15.672 -3.922 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.422 15.552 -3.246 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.836 13.165 -0.086 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.144 11.884 0.582 1.00 25.00 C ATOM 1839 C PRO A 122 -13.471 10.678 -0.255 1.00 25.00 C ATOM 1840 O PRO A 122 -13.922 10.755 -1.385 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.328 12.347 1.486 1.00 25.00 C ATOM 1842 CG PRO A 122 -15.025 13.270 0.530 1.00 25.00 C ATOM 1843 CD PRO A 122 -14.005 14.045 -0.099 1.00 25.00 C ATOM 0 HA PRO A 122 -12.264 11.469 1.074 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.961 11.518 1.804 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.991 12.856 2.389 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.595 12.706 -0.208 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.732 13.912 1.056 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.284 14.323 -1.115 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.814 14.971 0.444 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.279 9.510 0.345 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.523 8.242 -0.302 1.00 25.00 C ATOM 1853 C HIS A 123 -14.541 7.501 0.539 1.00 25.00 C ATOM 1854 O HIS A 123 -14.295 6.488 1.192 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.127 7.581 -0.244 1.00 25.00 C ATOM 1856 CG HIS A 123 -11.971 6.365 -1.117 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -12.304 5.065 -0.694 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -11.506 6.242 -2.378 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -11.963 4.258 -1.661 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -11.546 4.901 -2.740 1.00 25.00 N ATOM 0 H HIS A 123 -12.946 9.423 1.305 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.914 8.280 -1.319 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.378 8.318 -0.534 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.915 7.301 0.788 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.160 7.052 -3.003 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -12.015 3.182 -1.589 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -11.305 4.498 -3.645 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.731 8.131 0.547 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.885 7.882 1.474 1.00 25.00 C ATOM 1870 C ASP A 124 -18.152 7.535 0.674 1.00 25.00 C ATOM 1871 O ASP A 124 -19.280 7.801 1.075 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.189 9.181 2.365 1.00 25.00 C ATOM 1873 CG ASP A 124 -18.285 8.929 3.369 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -19.134 9.775 3.617 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.284 7.849 3.937 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.939 8.870 -0.124 1.00 25.00 H new ATOM 0 HA ASP A 124 -16.613 7.048 2.121 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -16.281 9.484 2.887 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -17.475 10.008 1.715 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.928 6.980 -0.534 1.00 25.00 N ATOM 1881 CA GLY A 125 -18.974 6.525 -1.393 1.00 25.00 C ATOM 1882 C GLY A 125 -19.408 7.676 -2.290 1.00 25.00 C ATOM 1883 O GLY A 125 -20.430 7.660 -2.995 1.00 25.00 O ATOM 0 H GLY A 125 -16.994 6.846 -0.921 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -18.628 5.686 -1.997 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.818 6.167 -0.803 1.00 25.00 H new ATOM 1887 N SER A 126 -18.560 8.651 -2.314 1.00 25.00 N ATOM 1888 CA SER A 126 -18.678 9.918 -3.012 1.00 25.00 C ATOM 1889 C SER A 126 -19.058 9.902 -4.489 1.00 25.00 C ATOM 1890 O SER A 126 -18.933 8.855 -5.190 1.00 25.00 O ATOM 1891 CB SER A 126 -17.357 10.665 -2.865 1.00 25.00 C ATOM 1892 OG SER A 126 -16.498 9.970 -2.003 1.00 25.00 O ATOM 0 H SER A 126 -17.680 8.589 -1.802 1.00 25.00 H new ATOM 0 HA SER A 126 -19.532 10.399 -2.534 1.00 25.00 H new ATOM 0 HB2 SER A 126 -16.887 10.782 -3.841 1.00 25.00 H new ATOM 0 HB3 SER A 126 -17.539 11.667 -2.477 1.00 25.00 H new ATOM 0 HG SER A 126 -15.647 10.451 -1.932 1.00 25.00 H new ATOM 1898 N PRO A 127 -19.558 11.030 -5.054 1.00 25.00 N ATOM 1899 CA PRO A 127 -19.838 11.152 -6.496 1.00 25.00 C ATOM 1900 C PRO A 127 -18.596 11.096 -7.430 1.00 25.00 C ATOM 1901 O PRO A 127 -17.579 10.589 -7.029 1.00 25.00 O ATOM 1902 CB PRO A 127 -20.608 12.443 -6.615 1.00 25.00 C ATOM 1903 CG PRO A 127 -19.982 13.281 -5.578 1.00 25.00 C ATOM 1904 CD PRO A 127 -19.764 12.319 -4.461 1.00 25.00 C ATOM 0 HA PRO A 127 -20.399 10.286 -6.847 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -20.511 12.884 -7.607 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -21.673 12.299 -6.433 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -19.045 13.719 -5.923 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -20.629 14.106 -5.280 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -18.901 12.611 -3.863 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -20.624 12.303 -3.792 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.753 11.464 -8.680 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.654 11.247 -9.648 1.00 25.00 C ATOM 1914 C ALA A 128 -16.279 11.807 -9.250 1.00 25.00 C ATOM 1915 O ALA A 128 -15.270 11.186 -9.560 1.00 25.00 O ATOM 1916 CB ALA A 128 -18.103 11.858 -10.960 1.00 25.00 C ATOM 0 H ALA A 128 -19.592 11.902 -9.061 1.00 25.00 H new ATOM 0 HA ALA A 128 -17.485 10.172 -9.703 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -17.323 11.723 -11.710 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -19.017 11.368 -11.295 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.292 12.922 -10.820 1.00 25.00 H new ATOM 1922 N SER A 129 -16.288 12.788 -8.381 1.00 25.00 N ATOM 1923 CA SER A 129 -15.053 13.301 -7.845 1.00 25.00 C ATOM 1924 C SER A 129 -14.317 12.330 -6.899 1.00 25.00 C ATOM 1925 O SER A 129 -13.129 12.519 -6.613 1.00 25.00 O ATOM 1926 CB SER A 129 -15.480 14.607 -7.179 1.00 25.00 C ATOM 1927 OG SER A 129 -16.602 14.473 -6.317 1.00 25.00 O ATOM 0 H SER A 129 -17.131 13.244 -8.032 1.00 25.00 H new ATOM 0 HA SER A 129 -14.300 13.450 -8.619 1.00 25.00 H new ATOM 0 HB2 SER A 129 -14.641 15.004 -6.608 1.00 25.00 H new ATOM 0 HB3 SER A 129 -15.714 15.339 -7.952 1.00 25.00 H new ATOM 0 HG SER A 129 -16.819 15.344 -5.925 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.941 11.246 -6.548 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.295 10.135 -5.821 1.00 25.00 C ATOM 1935 C ARG A 130 -13.034 9.611 -6.494 1.00 25.00 C ATOM 1936 O ARG A 130 -12.165 9.157 -5.772 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.255 8.954 -5.598 1.00 25.00 C ATOM 1938 CG ARG A 130 -14.953 7.992 -4.514 1.00 25.00 C ATOM 1939 CD ARG A 130 -15.667 6.678 -4.773 1.00 25.00 C ATOM 1940 NE ARG A 130 -17.113 6.712 -5.001 1.00 25.00 N ATOM 1941 CZ ARG A 130 -17.884 5.650 -5.083 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -19.171 5.818 -5.315 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -17.431 4.423 -4.985 1.00 25.00 N ATOM 0 H ARG A 130 -15.927 11.082 -6.750 1.00 25.00 H new ATOM 0 HA ARG A 130 -14.012 10.571 -4.863 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -16.247 9.364 -5.410 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -15.314 8.394 -6.531 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -13.878 7.825 -4.454 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -15.266 8.403 -3.554 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.203 6.212 -5.643 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -15.479 6.023 -3.922 1.00 25.00 H new ATOM 0 HE ARG A 130 -17.554 7.626 -5.104 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -19.551 6.758 -5.427 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -19.787 5.008 -5.382 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -16.435 4.257 -4.838 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -18.074 3.635 -5.056 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.913 9.692 -7.799 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.807 9.116 -8.517 1.00 25.00 C ATOM 1959 C ASN A 131 -10.517 9.837 -8.210 1.00 25.00 C ATOM 1960 O ASN A 131 -10.436 11.017 -8.081 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.159 8.897 -9.980 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.226 7.956 -10.151 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.260 6.851 -9.558 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -14.056 8.292 -11.153 1.00 25.00 N ATOM 0 H ASN A 131 -13.590 10.166 -8.396 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.607 8.106 -8.160 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.443 9.849 -10.429 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.277 8.543 -10.514 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.765 7.631 -11.471 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.977 9.208 -11.595 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.475 9.055 -8.154 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.110 9.431 -7.679 1.00 25.00 C ATOM 1973 C LEU A 132 -7.476 10.471 -8.646 1.00 25.00 C ATOM 1974 O LEU A 132 -6.550 11.214 -8.310 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.220 8.180 -7.692 1.00 25.00 C ATOM 1976 CG LEU A 132 -5.996 7.843 -6.778 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.020 8.542 -5.426 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -5.871 6.335 -6.650 1.00 75.00 C ATOM 0 H LEU A 132 -9.525 8.079 -8.447 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.188 9.852 -6.676 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -7.908 7.345 -7.560 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -6.836 8.119 -8.710 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.104 8.240 -7.262 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.138 8.256 -4.853 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.022 9.622 -5.575 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -6.917 8.249 -4.881 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.019 6.093 -6.014 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -6.781 5.931 -6.207 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -5.722 5.897 -7.637 1.00 75.00 H new ATOM 1990 N SER A 133 -7.975 10.535 -9.859 1.00 25.00 N ATOM 1991 CA SER A 133 -7.591 11.650 -10.795 1.00 25.00 C ATOM 1992 C SER A 133 -8.351 12.948 -10.638 1.00 25.00 C ATOM 1993 O SER A 133 -9.589 12.956 -10.691 1.00 25.00 O ATOM 1994 CB SER A 133 -7.855 11.094 -12.225 1.00 25.00 C ATOM 1995 OG SER A 133 -7.283 11.972 -13.204 1.00 25.00 O ATOM 0 H SER A 133 -8.635 9.861 -10.246 1.00 25.00 H new ATOM 0 HA SER A 133 -6.556 11.917 -10.580 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.425 10.097 -12.322 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.927 10.996 -12.394 1.00 25.00 H new ATOM 0 HG SER A 133 -6.309 11.989 -13.098 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.642 14.042 -10.494 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.302 15.397 -10.403 1.00 25.00 C ATOM 2003 C HIS A 134 -7.576 16.453 -11.215 1.00 25.00 C ATOM 2004 O HIS A 134 -6.359 16.515 -11.343 1.00 25.00 O ATOM 2005 CB HIS A 134 -8.290 15.885 -8.994 1.00 25.00 C ATOM 2006 CG HIS A 134 -9.461 15.412 -8.189 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -10.180 16.250 -7.330 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -10.065 14.197 -8.046 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -11.194 15.565 -6.840 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -11.151 14.356 -7.243 1.00 25.00 N ATOM 0 H HIS A 134 -6.624 14.061 -10.434 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.313 15.259 -10.786 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.370 15.555 -8.511 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -8.276 16.975 -8.995 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.738 13.270 -8.493 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -11.954 15.971 -6.189 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -11.822 13.627 -7.002 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.356 17.375 -11.739 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.819 18.504 -12.528 1.00 25.00 C ATOM 2020 C HIS A 135 -7.693 19.760 -11.651 1.00 25.00 C ATOM 2021 O HIS A 135 -8.637 20.094 -10.912 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.629 18.776 -13.794 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.639 17.609 -14.731 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -9.195 16.405 -14.621 1.00 25.00 N flip ATOM 2025 CD2 HIS A 135 -7.879 17.620 -15.916 1.00 25.00 C flip ATOM 2026 CE1 HIS A 135 -8.780 15.684 -15.729 1.00 25.00 C flip ATOM 2027 NE2 HIS A 135 -7.948 16.463 -16.436 1.00 25.00 N flip ATOM 0 H HIS A 135 -9.371 17.379 -11.641 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.823 18.220 -12.866 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.654 19.025 -13.519 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.216 19.645 -14.306 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -7.334 18.463 -16.313 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.074 14.675 -15.979 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -7.443 16.169 -17.272 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.526 20.380 -11.687 1.00 25.00 N ATOM 2036 CA ILE A 136 -6.151 21.514 -10.829 1.00 25.00 C ATOM 2037 C ILE A 136 -5.560 22.617 -11.732 1.00 25.00 C ATOM 2038 O ILE A 136 -4.656 22.357 -12.516 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.920 21.099 -9.908 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.295 19.876 -9.027 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.329 22.373 -9.153 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -6.400 20.132 -7.941 1.00 25.00 C ATOM 0 H ILE A 136 -5.783 20.107 -12.331 1.00 25.00 H new ATOM 0 HA ILE A 136 -7.026 21.822 -10.256 1.00 25.00 H new ATOM 0 HB ILE A 136 -4.083 20.745 -10.509 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.633 19.071 -9.680 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.394 19.523 -8.526 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.489 22.069 -8.529 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.990 23.105 -9.886 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.103 22.817 -8.528 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -6.583 19.213 -7.385 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -6.063 20.910 -7.256 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -7.322 20.451 -8.428 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.180 23.772 -11.706 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.729 24.915 -12.432 1.00 25.00 C ATOM 2056 C TYR A 137 -4.535 25.491 -11.660 1.00 25.00 C ATOM 2057 O TYR A 137 -4.619 25.723 -10.474 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.809 25.997 -12.539 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.332 27.237 -13.241 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -5.883 28.410 -12.531 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.270 27.199 -14.635 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -5.385 29.475 -13.237 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.793 28.322 -15.323 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.351 29.447 -14.601 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.067 30.561 -15.346 1.00 25.00 O ATOM 0 H TYR A 137 -7.029 23.938 -11.166 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.468 24.613 -13.446 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.669 25.592 -13.073 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.151 26.262 -11.538 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.939 28.449 -11.453 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.585 26.318 -15.174 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -5.017 30.343 -12.710 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.764 28.325 -16.403 1.00 25.00 H new ATOM 0 HH TYR A 137 -5.091 30.332 -16.299 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.407 25.647 -12.411 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.186 26.260 -11.946 1.00 25.00 C ATOM 2077 C ILE A 138 -2.134 27.744 -12.405 1.00 25.00 C ATOM 2078 O ILE A 138 -2.354 27.942 -13.574 1.00 25.00 O ATOM 2079 CB ILE A 138 -1.044 25.382 -12.446 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -1.208 24.015 -11.786 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.324 25.992 -11.993 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.129 22.910 -11.947 1.00 25.00 C ATOM 0 H ILE A 138 -3.349 25.332 -13.379 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.113 26.313 -10.860 1.00 25.00 H new ATOM 0 HB ILE A 138 -1.062 25.309 -13.533 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.327 24.190 -10.717 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -2.148 23.598 -12.148 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.139 25.363 -12.351 1.00 25.00 H new ATOM 0 HG22 ILE A 138 0.430 26.995 -12.407 1.00 25.00 H new ATOM 0 HG23 ILE A 138 0.357 26.044 -10.905 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.437 22.018 -11.401 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.012 22.667 -13.003 1.00 25.00 H new ATOM 0 HD13 ILE A 138 0.821 23.268 -11.550 1.00 25.00 H new ATOM 2094 N PRO A 139 -1.873 28.709 -11.491 1.00 25.00 N ATOM 2095 CA PRO A 139 -1.947 30.108 -11.978 1.00 25.00 C ATOM 2096 C PRO A 139 -0.933 30.350 -13.081 1.00 25.00 C ATOM 2097 O PRO A 139 0.059 29.644 -13.186 1.00 25.00 O ATOM 2098 CB PRO A 139 -1.688 30.901 -10.740 1.00 25.00 C ATOM 2099 CG PRO A 139 -0.967 29.991 -9.838 1.00 25.00 C ATOM 2100 CD PRO A 139 -1.557 28.713 -10.034 1.00 25.00 C ATOM 0 HA PRO A 139 -2.898 30.377 -12.438 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -1.095 31.789 -10.959 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -2.620 31.243 -10.290 1.00 25.00 H new ATOM 0 HG2 PRO A 139 0.098 29.971 -10.070 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -1.061 30.311 -8.800 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -0.873 27.907 -9.767 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -2.453 28.585 -9.426 1.00 25.00 H new ATOM 2108 N GLU A 140 -1.211 31.341 -13.910 1.00 25.00 N ATOM 2109 CA GLU A 140 -0.477 31.695 -15.107 1.00 25.00 C ATOM 2110 C GLU A 140 0.305 32.970 -15.038 1.00 25.00 C ATOM 2111 O GLU A 140 1.072 33.299 -15.946 1.00 25.00 O ATOM 2112 CB GLU A 140 -1.457 31.716 -16.255 1.00 25.00 C ATOM 2113 CG GLU A 140 -1.537 30.484 -17.027 1.00 25.00 C ATOM 2114 CD GLU A 140 -2.269 30.587 -18.328 1.00 25.00 C ATOM 2115 OE1 GLU A 140 -2.106 29.664 -19.195 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -2.917 31.608 -18.572 1.00 25.00 O1- ATOM 0 H GLU A 140 -2.008 31.958 -13.752 1.00 25.00 H new ATOM 0 HA GLU A 140 0.295 30.938 -15.244 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -2.448 31.944 -15.861 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -1.186 32.530 -16.928 1.00 25.00 H new ATOM 0 HG2 GLU A 140 -0.524 30.134 -17.226 1.00 25.00 H new ATOM 0 HG3 GLU A 140 -2.023 29.723 -16.416 1.00 25.00 H new ATOM 2123 N ASP A 141 0.098 33.709 -13.971 1.00 25.00 N ATOM 2124 CA ASP A 141 0.619 35.082 -13.985 1.00 25.00 C ATOM 2125 C ASP A 141 2.017 35.277 -13.362 1.00 25.00 C ATOM 2126 O ASP A 141 2.674 36.302 -13.622 1.00 25.00 O ATOM 2127 CB ASP A 141 -0.309 36.151 -13.303 1.00 25.00 C ATOM 2128 CG ASP A 141 -0.219 36.106 -11.804 1.00 25.00 C ATOM 2129 OD1 ASP A 141 -0.410 34.993 -11.227 1.00 50.00 O ATOM 2130 OD2 ASP A 141 0.000 37.132 -11.137 1.00 50.00 O1- ATOM 0 H ASP A 141 -0.394 33.419 -13.126 1.00 25.00 H new ATOM 0 HA ASP A 141 0.669 35.245 -15.062 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -0.032 37.146 -13.652 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -1.341 35.982 -13.609 1.00 25.00 H new ATOM 2135 N ARG A 142 2.519 34.276 -12.623 1.00 25.00 N ATOM 2136 CA ARG A 142 3.923 34.271 -12.100 1.00 25.00 C ATOM 2137 C ARG A 142 4.720 33.076 -12.452 1.00 25.00 C ATOM 2138 O ARG A 142 4.142 32.031 -12.798 1.00 25.00 O ATOM 2139 CB ARG A 142 3.916 34.360 -10.544 1.00 25.00 C ATOM 2140 CG ARG A 142 3.221 35.553 -9.970 1.00 25.00 C ATOM 2141 CD ARG A 142 3.193 35.462 -8.444 1.00 25.00 C ATOM 2142 NE ARG A 142 2.365 36.553 -7.873 1.00 25.00 N ATOM 2143 CZ ARG A 142 2.125 36.823 -6.588 1.00 25.00 C ATOM 2144 NH1 ARG A 142 1.467 37.895 -6.232 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 2.538 36.069 -5.582 1.00 25.00 N ATOM 0 H ARG A 142 1.982 33.448 -12.365 1.00 25.00 H new ATOM 0 HA ARG A 142 4.388 35.135 -12.575 1.00 25.00 H new ATOM 0 HB2 ARG A 142 3.444 33.461 -10.148 1.00 25.00 H new ATOM 0 HB3 ARG A 142 4.948 34.359 -10.193 1.00 25.00 H new ATOM 0 HG2 ARG A 142 3.733 36.465 -10.278 1.00 25.00 H new ATOM 0 HG3 ARG A 142 2.204 35.612 -10.357 1.00 25.00 H new ATOM 0 HD2 ARG A 142 2.792 34.495 -8.139 1.00 25.00 H new ATOM 0 HD3 ARG A 142 4.208 35.524 -8.051 1.00 25.00 H new ATOM 0 HE ARG A 142 1.923 37.176 -8.549 1.00 25.00 H new ATOM 0 HH11 ARG A 142 1.126 38.544 -6.942 1.00 25.00 H new ATOM 0 HH12 ARG A 142 1.294 38.083 -5.244 1.00 25.00 H new ATOM 0 HH21 ARG A 142 3.076 35.222 -5.767 1.00 25.00 H new ATOM 0 HH22 ARG A 142 2.319 36.335 -4.622 1.00 25.00 H new ATOM 2159 N LEU A 143 6.036 33.205 -12.301 1.00 25.00 N ATOM 2160 CA LEU A 143 6.933 32.080 -12.155 1.00 25.00 C ATOM 2161 C LEU A 143 7.530 31.929 -10.708 1.00 25.00 C ATOM 2162 O LEU A 143 7.905 32.945 -10.055 1.00 25.00 O ATOM 2163 CB LEU A 143 8.050 32.231 -13.214 1.00 25.00 C ATOM 2164 CG LEU A 143 9.277 33.159 -13.174 1.00 25.00 C ATOM 2165 CD1 LEU A 143 10.225 32.893 -14.309 1.00 50.00 C ATOM 2166 CD2 LEU A 143 8.909 34.700 -13.189 1.00 50.00 C ATOM 0 H LEU A 143 6.508 34.109 -12.277 1.00 25.00 H new ATOM 0 HA LEU A 143 6.366 31.163 -12.313 1.00 25.00 H new ATOM 0 HB2 LEU A 143 8.457 31.228 -13.342 1.00 25.00 H new ATOM 0 HB3 LEU A 143 7.532 32.485 -14.139 1.00 25.00 H new ATOM 0 HG LEU A 143 9.756 32.927 -12.223 1.00 25.00 H new ATOM 0 HD11 LEU A 143 11.075 33.571 -14.239 1.00 50.00 H new ATOM 0 HD12 LEU A 143 10.577 31.863 -14.255 1.00 50.00 H new ATOM 0 HD13 LEU A 143 9.711 33.051 -15.257 1.00 50.00 H new ATOM 0 HD21 LEU A 143 9.823 35.293 -13.159 1.00 50.00 H new ATOM 0 HD22 LEU A 143 8.355 34.933 -14.098 1.00 50.00 H new ATOM 0 HD23 LEU A 143 8.295 34.936 -12.320 1.00 50.00 H new ATOM 2178 N GLY A 144 7.723 30.664 -10.346 1.00 25.00 N ATOM 2179 CA GLY A 144 8.389 30.350 -9.120 1.00 25.00 C ATOM 2180 C GLY A 144 8.302 28.910 -8.574 1.00 25.00 C ATOM 2181 O GLY A 144 7.377 28.130 -8.840 1.00 25.00 O ATOM 0 H GLY A 144 7.424 29.856 -10.891 1.00 25.00 H new ATOM 0 HA2 GLY A 144 9.444 30.592 -9.247 1.00 25.00 H new ATOM 0 HA3 GLY A 144 7.999 31.018 -8.352 1.00 25.00 H new ATOM 2185 N TYR A 145 9.259 28.625 -7.735 1.00 25.00 N ATOM 2186 CA TYR A 145 9.419 27.288 -7.116 1.00 25.00 C ATOM 2187 C TYR A 145 8.353 27.040 -6.066 1.00 25.00 C ATOM 2188 O TYR A 145 8.071 27.905 -5.208 1.00 25.00 O ATOM 2189 CB TYR A 145 10.806 27.199 -6.423 1.00 25.00 C ATOM 2190 CG TYR A 145 10.920 26.273 -5.274 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.309 26.789 -3.997 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.686 24.858 -5.418 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.610 25.899 -2.931 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.871 24.011 -4.259 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.461 24.519 -3.120 1.00 25.00 C ATOM 2196 OH TYR A 145 11.896 23.699 -2.155 1.00 25.00 O ATOM 0 H TYR A 145 9.966 29.300 -7.444 1.00 25.00 H new ATOM 0 HA TYR A 145 9.329 26.542 -7.905 1.00 25.00 H new ATOM 0 HB2 TYR A 145 11.541 26.904 -7.171 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.081 28.198 -6.083 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.374 27.856 -3.843 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.381 24.441 -6.366 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.951 26.284 -1.981 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.547 22.981 -4.286 1.00 25.00 H new ATOM 0 HH TYR A 145 11.729 22.769 -2.416 1.00 25.00 H new ATOM 2206 N HIS A 146 7.795 25.836 -6.072 1.00 25.00 N ATOM 2207 CA HIS A 146 6.855 25.388 -5.020 1.00 25.00 C ATOM 2208 C HIS A 146 7.073 23.894 -4.700 1.00 25.00 C ATOM 2209 O HIS A 146 7.829 23.241 -5.381 1.00 25.00 O ATOM 2210 CB HIS A 146 5.408 25.623 -5.452 1.00 25.00 C ATOM 2211 CG HIS A 146 4.991 27.042 -5.604 1.00 25.00 C ATOM 2212 ND1 HIS A 146 4.514 27.875 -4.576 1.00 25.00 N ATOM 2213 CD2 HIS A 146 5.000 27.857 -6.704 1.00 25.00 C ATOM 2214 CE1 HIS A 146 4.298 29.097 -5.054 1.00 25.00 C ATOM 2215 NE2 HIS A 146 4.632 29.126 -6.346 1.00 25.00 N ATOM 0 H HIS A 146 7.971 25.138 -6.795 1.00 25.00 H new ATOM 0 HA HIS A 146 7.050 25.973 -4.121 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.247 25.115 -6.403 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.751 25.149 -4.722 1.00 25.00 H new ATOM 0 HD1 HIS A 146 4.358 27.586 -3.610 1.00 25.00 H new ATOM 0 HD2 HIS A 146 5.259 27.545 -7.705 1.00 25.00 H new ATOM 0 HE1 HIS A 146 3.914 29.932 -4.487 1.00 25.00 H new ATOM 2223 N VAL A 147 6.492 23.472 -3.588 1.00 25.00 N ATOM 2224 CA VAL A 147 6.422 22.040 -3.274 1.00 25.00 C ATOM 2225 C VAL A 147 4.899 21.832 -3.069 1.00 25.00 C ATOM 2226 O VAL A 147 4.202 22.680 -2.437 1.00 25.00 O ATOM 2227 CB VAL A 147 7.222 21.743 -2.045 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.188 20.209 -1.685 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.707 22.152 -2.258 1.00 50.00 C ATOM 0 H VAL A 147 6.066 24.084 -2.892 1.00 25.00 H new ATOM 0 HA VAL A 147 6.834 21.378 -4.036 1.00 25.00 H new ATOM 0 HB VAL A 147 6.777 22.314 -1.230 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.780 20.033 -0.787 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.158 19.900 -1.507 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.602 19.632 -2.512 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.278 21.931 -1.356 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.122 21.593 -3.097 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.763 23.220 -2.470 1.00 50.00 H new ATOM 2239 N ILE A 148 4.379 20.797 -3.733 1.00 25.00 N ATOM 2240 CA ILE A 148 2.965 20.360 -3.721 1.00 25.00 C ATOM 2241 C ILE A 148 3.096 19.190 -2.762 1.00 25.00 C ATOM 2242 O ILE A 148 3.930 18.358 -2.946 1.00 25.00 O ATOM 2243 CB ILE A 148 2.312 19.946 -5.032 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.421 21.114 -5.985 1.00 25.00 C ATOM 2245 CG2 ILE A 148 0.833 19.471 -4.828 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.191 20.756 -7.418 1.00 25.00 C ATOM 0 H ILE A 148 4.957 20.204 -4.328 1.00 25.00 H new ATOM 0 HA ILE A 148 2.294 21.178 -3.460 1.00 25.00 H new ATOM 0 HB ILE A 148 2.828 19.083 -5.452 1.00 25.00 H new ATOM 0 HG12 ILE A 148 1.700 21.877 -5.692 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.412 21.558 -5.887 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.407 19.185 -5.790 1.00 25.00 H new ATOM 0 HG22 ILE A 148 0.816 18.614 -4.154 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.246 20.283 -4.398 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.287 21.649 -8.036 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.928 20.017 -7.731 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.190 20.341 -7.533 1.00 25.00 H new ATOM 2258 N LEU A 149 2.311 19.241 -1.699 1.00 25.00 N ATOM 2259 CA LEU A 149 2.410 18.259 -0.618 1.00 25.00 C ATOM 2260 C LEU A 149 1.110 17.472 -0.697 1.00 25.00 C ATOM 2261 O LEU A 149 0.063 18.001 -0.891 1.00 25.00 O ATOM 2262 CB LEU A 149 2.411 18.870 0.776 1.00 25.00 C ATOM 2263 CG LEU A 149 3.491 19.746 1.436 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.835 20.985 0.515 1.00 50.00 C ATOM 2265 CD2 LEU A 149 2.951 20.201 2.742 1.00 50.00 C ATOM 0 H LEU A 149 1.594 19.952 -1.556 1.00 25.00 H new ATOM 0 HA LEU A 149 3.337 17.700 -0.744 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.498 19.464 0.824 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.279 18.027 1.454 1.00 25.00 H new ATOM 0 HG LEU A 149 4.412 19.180 1.579 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.600 21.594 0.996 1.00 50.00 H new ATOM 0 HD12 LEU A 149 4.205 20.631 -0.448 1.00 50.00 H new ATOM 0 HD13 LEU A 149 2.938 21.584 0.361 1.00 50.00 H new ATOM 0 HD21 LEU A 149 3.689 20.827 3.243 1.00 50.00 H new ATOM 0 HD22 LEU A 149 2.039 20.776 2.578 1.00 50.00 H new ATOM 0 HD23 LEU A 149 2.727 19.335 3.365 1.00 50.00 H new ATOM 2277 N ALA A 150 1.156 16.160 -0.439 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.044 15.384 -0.292 1.00 25.00 C ATOM 2279 C ALA A 150 0.030 14.418 0.795 1.00 25.00 C ATOM 2280 O ALA A 150 1.087 14.024 1.283 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.344 14.692 -1.692 1.00 25.00 C ATOM 0 H ALA A 150 2.020 15.629 -0.331 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.867 16.043 -0.013 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.252 14.093 -1.615 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.479 15.458 -2.455 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.492 14.049 -1.967 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.209 14.004 1.134 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.492 12.915 2.137 1.00 25.00 C ATOM 2289 C VAL A 151 -2.580 12.027 1.585 1.00 25.00 C ATOM 2290 O VAL A 151 -3.664 12.535 1.250 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.923 13.448 3.591 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.171 12.249 4.534 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.900 14.385 4.224 1.00 50.00 C ATOM 0 H VAL A 151 -2.054 14.406 0.728 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.558 12.373 2.285 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.836 14.026 3.449 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.463 12.615 5.518 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.967 11.625 4.128 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.258 11.660 4.622 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.257 14.705 5.203 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.050 13.863 4.337 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.761 15.257 3.585 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.352 10.722 1.499 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.429 9.720 1.254 1.00 25.00 C ATOM 2305 C TRP A 152 -3.658 8.947 2.558 1.00 25.00 C ATOM 2306 O TRP A 152 -2.806 8.166 2.944 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.889 8.900 0.103 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.690 7.620 -0.226 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -5.061 7.450 -0.344 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.116 6.344 -0.590 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.368 6.183 -0.664 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.195 5.444 -0.805 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -1.775 5.862 -0.664 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -3.957 4.033 -1.067 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -1.560 4.480 -0.971 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -2.657 3.618 -1.129 1.00 25.00 C ATOM 0 H TRP A 152 -1.424 10.310 1.594 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.409 10.115 0.986 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.858 9.529 -0.787 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -1.861 8.618 0.330 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.788 8.235 -0.197 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.313 5.818 -0.785 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -0.940 6.525 -0.492 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -4.775 3.342 -1.207 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -0.555 4.101 -1.081 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -2.463 2.571 -1.309 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.768 9.301 3.221 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.160 8.678 4.511 1.00 25.00 C ATOM 2329 C ASP A 153 -5.768 7.338 4.172 1.00 25.00 C ATOM 2330 O ASP A 153 -6.997 7.084 4.289 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.118 9.524 5.395 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.264 9.023 6.819 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.849 7.913 7.211 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -6.886 9.768 7.587 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.417 10.016 2.892 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.268 8.588 5.130 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -5.757 10.552 5.420 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.102 9.543 4.927 1.00 25.00 H new ATOM 2339 N VAL A 154 -4.936 6.398 3.777 1.00 25.00 N ATOM 2340 CA VAL A 154 -5.254 4.986 3.600 1.00 25.00 C ATOM 2341 C VAL A 154 -5.667 4.268 4.935 1.00 25.00 C ATOM 2342 O VAL A 154 -4.877 4.129 5.878 1.00 25.00 O ATOM 2343 CB VAL A 154 -4.133 4.192 2.794 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -2.737 4.447 3.375 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.430 2.761 2.573 1.00 50.00 C ATOM 0 H VAL A 154 -3.962 6.605 3.557 1.00 25.00 H new ATOM 0 HA VAL A 154 -6.144 4.969 2.972 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.141 4.608 1.786 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -1.997 3.890 2.801 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -2.510 5.512 3.323 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -2.710 4.121 4.415 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.613 2.301 2.017 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -4.542 2.260 3.535 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -5.355 2.665 2.004 1.00 50.00 H new ATOM 2355 N ALA A 155 -6.911 3.794 4.988 1.00 25.00 N ATOM 2356 CA ALA A 155 -7.456 3.188 6.179 1.00 25.00 C ATOM 2357 C ALA A 155 -7.123 1.674 6.132 1.00 25.00 C ATOM 2358 O ALA A 155 -7.034 1.043 7.184 1.00 25.00 O ATOM 2359 CB ALA A 155 -8.907 3.481 6.146 1.00 25.00 C ATOM 0 H ALA A 155 -7.560 3.824 4.202 1.00 25.00 H new ATOM 0 HA ALA A 155 -7.044 3.569 7.113 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -9.386 3.048 7.025 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -9.060 4.560 6.144 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -9.345 3.050 5.245 1.00 25.00 H new ATOM 2365 N ASP A 156 -6.859 1.057 5.010 1.00 25.00 N ATOM 2366 CA ASP A 156 -6.360 -0.320 4.951 1.00 25.00 C ATOM 2367 C ASP A 156 -5.081 -0.694 5.702 1.00 25.00 C ATOM 2368 O ASP A 156 -4.705 -1.869 5.789 1.00 25.00 O ATOM 2369 CB ASP A 156 -6.090 -0.638 3.522 1.00 25.00 C ATOM 2370 CG ASP A 156 -7.089 -1.600 2.986 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -7.584 -1.389 1.898 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -7.339 -2.686 3.521 1.00 25.00 O1- ATOM 0 H ASP A 156 -6.981 1.488 4.094 1.00 25.00 H new ATOM 0 HA ASP A 156 -7.150 -0.881 5.451 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -6.112 0.279 2.933 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -5.089 -1.057 3.423 1.00 25.00 H new ATOM 2377 N THR A 157 -4.439 0.320 6.221 1.00 25.00 N ATOM 2378 CA THR A 157 -3.132 0.201 6.917 1.00 25.00 C ATOM 2379 C THR A 157 -3.318 1.048 8.133 1.00 25.00 C ATOM 2380 O THR A 157 -4.105 2.022 8.214 1.00 25.00 O ATOM 2381 CB THR A 157 -2.046 0.784 6.020 1.00 25.00 C ATOM 2382 OG1 THR A 157 -2.477 2.044 5.513 1.00 25.00 O ATOM 2383 CG2 THR A 157 -1.862 -0.121 4.728 1.00 25.00 C ATOM 0 H THR A 157 -4.793 1.276 6.185 1.00 25.00 H new ATOM 0 HA THR A 157 -2.842 -0.822 7.158 1.00 25.00 H new ATOM 0 HB THR A 157 -1.132 0.853 6.610 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.164 2.759 6.105 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.084 0.304 4.094 1.00 25.00 H new ATOM 0 HG22 THR A 157 -1.575 -1.129 5.028 1.00 25.00 H new ATOM 0 HG23 THR A 157 -2.800 -0.160 4.174 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.392 0.861 9.091 1.00 25.00 N ATOM 2392 CA GLU A 158 -2.363 1.690 10.332 1.00 25.00 C ATOM 2393 C GLU A 158 -1.764 3.079 10.028 1.00 25.00 C ATOM 2394 O GLU A 158 -2.244 4.101 10.521 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.575 0.914 11.398 1.00 25.00 C ATOM 2396 CG GLU A 158 -1.494 1.592 12.776 1.00 25.00 C ATOM 2397 CD GLU A 158 -0.550 0.949 13.728 1.00 25.00 C ATOM 2398 OE1 GLU A 158 0.186 -0.036 13.410 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -0.558 1.454 14.913 1.00 25.00 O1- ATOM 0 H GLU A 158 -1.658 0.155 9.041 1.00 25.00 H new ATOM 0 HA GLU A 158 -3.368 1.873 10.713 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -2.031 -0.068 11.521 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -0.562 0.751 11.031 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -1.198 2.632 12.638 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -2.489 1.600 13.221 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.696 3.125 9.229 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.035 4.377 8.878 1.00 25.00 C ATOM 2408 C ASN A 159 -0.887 4.975 7.726 1.00 25.00 C ATOM 2409 O ASN A 159 -1.672 4.257 7.077 1.00 25.00 O ATOM 2410 CB ASN A 159 1.407 4.117 8.295 1.00 25.00 C ATOM 2411 CG ASN A 159 2.294 3.552 9.271 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.755 4.295 10.115 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.598 2.343 9.218 1.00 25.00 N ATOM 0 H ASN A 159 -0.269 2.298 8.811 1.00 25.00 H new ATOM 0 HA ASN A 159 0.053 5.019 9.754 1.00 25.00 H new ATOM 0 HB2 ASN A 159 1.335 3.445 7.440 1.00 25.00 H new ATOM 0 HB3 ASN A 159 1.823 5.055 7.929 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.252 1.951 9.896 1.00 25.00 H new ATOM 0 HD22 ASN A 159 2.193 1.746 8.497 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.623 6.223 7.391 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.151 7.018 6.250 1.00 25.00 C ATOM 2422 C ALA A 160 0.070 7.294 5.442 1.00 25.00 C ATOM 2423 O ALA A 160 1.202 7.274 5.950 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.797 8.305 6.748 1.00 25.00 C ATOM 0 H ALA A 160 0.026 6.777 7.950 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.926 6.506 5.680 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -2.177 8.873 5.899 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.620 8.063 7.420 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -1.056 8.901 7.281 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.150 7.490 4.143 1.00 25.00 N ATOM 2431 CA PHE A 161 0.938 7.742 3.181 1.00 25.00 C ATOM 2432 C PHE A 161 1.030 9.235 2.972 1.00 25.00 C ATOM 2433 O PHE A 161 0.023 9.890 3.073 1.00 25.00 O ATOM 2434 CB PHE A 161 0.571 7.103 1.863 1.00 25.00 C ATOM 2435 CG PHE A 161 1.508 7.351 0.745 1.00 25.00 C ATOM 2436 CD1 PHE A 161 1.227 8.297 -0.259 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.709 6.627 0.681 1.00 50.00 C ATOM 2438 CE1 PHE A 161 2.162 8.506 -1.375 1.00 25.00 C ATOM 2439 CE2 PHE A 161 3.668 6.888 -0.250 1.00 25.00 C ATOM 2440 CZ PHE A 161 3.420 7.784 -1.337 1.00 25.00 C ATOM 0 H PHE A 161 -1.079 7.480 3.723 1.00 25.00 H new ATOM 0 HA PHE A 161 1.881 7.338 3.549 1.00 25.00 H new ATOM 0 HB2 PHE A 161 0.490 6.026 2.013 1.00 25.00 H new ATOM 0 HB3 PHE A 161 -0.417 7.459 1.570 1.00 25.00 H new ATOM 0 HD1 PHE A 161 0.316 8.875 -0.209 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.878 5.835 1.395 1.00 50.00 H new ATOM 0 HE1 PHE A 161 1.921 9.171 -2.191 1.00 25.00 H new ATOM 0 HE2 PHE A 161 4.633 6.410 -0.166 1.00 25.00 H new ATOM 0 HZ PHE A 161 4.156 7.921 -2.116 1.00 25.00 H new ATOM 2450 N TYR A 162 2.205 9.782 2.675 1.00 25.00 N ATOM 2451 CA TYR A 162 2.318 11.170 2.374 1.00 25.00 C ATOM 2452 C TYR A 162 3.319 11.244 1.251 1.00 25.00 C ATOM 2453 O TYR A 162 4.079 10.249 1.096 1.00 25.00 O ATOM 2454 CB TYR A 162 2.766 12.088 3.540 1.00 25.00 C ATOM 2455 CG TYR A 162 4.073 11.799 4.234 1.00 25.00 C ATOM 2456 CD1 TYR A 162 4.061 10.862 5.314 1.00 50.00 C ATOM 2457 CD2 TYR A 162 5.210 12.500 3.892 1.00 50.00 C ATOM 2458 CE1 TYR A 162 5.304 10.566 5.958 1.00 25.00 C ATOM 2459 CE2 TYR A 162 6.440 12.259 4.637 1.00 25.00 C ATOM 2460 CZ TYR A 162 6.457 11.257 5.594 1.00 25.00 C ATOM 2461 OH TYR A 162 7.596 10.934 6.227 1.00 25.00 O ATOM 0 H TYR A 162 3.085 9.267 2.641 1.00 25.00 H new ATOM 0 HA TYR A 162 1.326 11.548 2.127 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.815 13.107 3.157 1.00 25.00 H new ATOM 0 HB3 TYR A 162 1.980 12.068 4.295 1.00 25.00 H new ATOM 0 HD1 TYR A 162 3.142 10.392 5.634 1.00 50.00 H new ATOM 0 HD2 TYR A 162 5.190 13.217 3.084 1.00 50.00 H new ATOM 0 HE1 TYR A 162 5.348 9.808 6.726 1.00 25.00 H new ATOM 0 HE2 TYR A 162 7.323 12.851 4.446 1.00 25.00 H new ATOM 0 HH TYR A 162 8.329 11.486 5.883 1.00 25.00 H new ATOM 2471 N GLN A 163 3.452 12.345 0.445 1.00 25.00 N ATOM 2472 CA GLN A 163 4.329 12.408 -0.744 1.00 25.00 C ATOM 2473 C GLN A 163 4.477 13.858 -0.983 1.00 25.00 C ATOM 2474 O GLN A 163 3.499 14.597 -0.775 1.00 25.00 O ATOM 2475 CB GLN A 163 3.523 11.758 -1.886 1.00 25.00 C ATOM 2476 CG GLN A 163 4.361 10.879 -2.903 1.00 25.00 C ATOM 2477 CD GLN A 163 5.474 11.693 -3.619 1.00 25.00 C ATOM 2478 OE1 GLN A 163 6.657 11.515 -3.400 1.00 25.00 O ATOM 2479 NE2 GLN A 163 5.077 12.580 -4.495 1.00 25.00 N ATOM 0 H GLN A 163 2.944 13.213 0.614 1.00 25.00 H new ATOM 0 HA GLN A 163 5.297 11.915 -0.650 1.00 25.00 H new ATOM 0 HB2 GLN A 163 2.746 11.132 -1.447 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.019 12.546 -2.445 1.00 25.00 H new ATOM 0 HG2 GLN A 163 4.813 10.044 -2.369 1.00 25.00 H new ATOM 0 HG3 GLN A 163 3.690 10.454 -3.649 1.00 25.00 H new ATOM 0 HE21 GLN A 163 4.081 12.717 -4.667 1.00 25.00 H new ATOM 0 HE22 GLN A 163 5.764 13.135 -5.006 1.00 25.00 H new ATOM 2488 N VAL A 164 5.659 14.269 -1.435 1.00 25.00 N ATOM 2489 CA VAL A 164 5.769 15.588 -1.984 1.00 25.00 C ATOM 2490 C VAL A 164 6.293 15.638 -3.387 1.00 25.00 C ATOM 2491 O VAL A 164 7.092 14.793 -3.848 1.00 25.00 O ATOM 2492 CB VAL A 164 6.596 16.538 -1.066 1.00 25.00 C ATOM 2493 CG1 VAL A 164 5.928 16.813 0.204 1.00 75.00 C ATOM 2494 CG2 VAL A 164 7.910 15.916 -0.760 1.00 75.00 C ATOM 0 H VAL A 164 6.518 13.719 -1.428 1.00 25.00 H new ATOM 0 HA VAL A 164 4.740 15.944 -2.030 1.00 25.00 H new ATOM 0 HB VAL A 164 6.711 17.476 -1.609 1.00 25.00 H new ATOM 0 HG11 VAL A 164 6.548 17.479 0.804 1.00 75.00 H new ATOM 0 HG12 VAL A 164 4.965 17.287 0.013 1.00 75.00 H new ATOM 0 HG13 VAL A 164 5.772 15.879 0.743 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.487 16.582 -0.118 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.753 14.966 -0.250 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.456 15.744 -1.688 1.00 75.00 H new ATOM 2504 N ILE A 165 5.941 16.695 -4.083 1.00 25.00 N ATOM 2505 CA ILE A 165 6.289 16.923 -5.522 1.00 25.00 C ATOM 2506 C ILE A 165 6.998 18.249 -5.443 1.00 25.00 C ATOM 2507 O ILE A 165 6.433 19.253 -5.029 1.00 25.00 O ATOM 2508 CB ILE A 165 5.037 17.051 -6.445 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.150 15.751 -6.372 1.00 25.00 C ATOM 2510 CG2 ILE A 165 5.504 17.290 -7.901 1.00 25.00 C ATOM 2511 CD1 ILE A 165 2.823 15.828 -7.006 1.00 25.00 C ATOM 0 H ILE A 165 5.391 17.455 -3.682 1.00 25.00 H new ATOM 0 HA ILE A 165 6.861 16.100 -5.950 1.00 25.00 H new ATOM 0 HB ILE A 165 4.432 17.892 -6.106 1.00 25.00 H new ATOM 0 HG12 ILE A 165 4.703 14.934 -6.835 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.013 15.489 -5.323 1.00 25.00 H new ATOM 0 HG21 ILE A 165 4.634 17.380 -8.552 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.090 18.208 -7.949 1.00 25.00 H new ATOM 0 HG23 ILE A 165 6.117 16.450 -8.229 1.00 25.00 H new ATOM 0 HD11 ILE A 165 2.309 14.874 -6.890 1.00 25.00 H new ATOM 0 HD12 ILE A 165 2.238 16.616 -6.531 1.00 25.00 H new ATOM 0 HD13 ILE A 165 2.939 16.051 -8.067 1.00 25.00 H new ATOM 2523 N ASP A 166 8.273 18.289 -5.809 1.00 25.00 N ATOM 2524 CA ASP A 166 8.991 19.567 -5.961 1.00 25.00 C ATOM 2525 C ASP A 166 8.629 20.099 -7.363 1.00 25.00 C ATOM 2526 O ASP A 166 8.672 19.384 -8.469 1.00 25.00 O ATOM 2527 CB ASP A 166 10.509 19.266 -5.885 1.00 25.00 C ATOM 2528 CG ASP A 166 11.341 20.490 -5.792 1.00 25.00 C ATOM 2529 OD1 ASP A 166 12.357 20.513 -5.078 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.938 21.554 -6.415 1.00 25.00 O1- ATOM 0 H ASP A 166 8.836 17.462 -6.007 1.00 25.00 H new ATOM 0 HA ASP A 166 8.729 20.295 -5.193 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.705 18.634 -5.019 1.00 25.00 H new ATOM 0 HB3 ASP A 166 10.805 18.699 -6.767 1.00 25.00 H new ATOM 2535 N VAL A 167 8.155 21.359 -7.476 1.00 25.00 N ATOM 2536 CA VAL A 167 7.877 21.958 -8.805 1.00 25.00 C ATOM 2537 C VAL A 167 8.434 23.374 -9.014 1.00 25.00 C ATOM 2538 O VAL A 167 8.590 24.196 -8.127 1.00 25.00 O ATOM 2539 CB VAL A 167 6.368 22.072 -9.099 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.801 20.790 -9.707 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.539 22.385 -7.788 1.00 50.00 C ATOM 0 H VAL A 167 7.960 21.971 -6.684 1.00 25.00 H new ATOM 0 HA VAL A 167 8.382 21.261 -9.474 1.00 25.00 H new ATOM 0 HB VAL A 167 6.272 22.892 -9.811 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.735 20.918 -9.897 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.313 20.574 -10.645 1.00 50.00 H new ATOM 0 HG13 VAL A 167 5.949 19.962 -9.014 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.480 22.458 -8.036 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.688 21.584 -7.064 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.877 23.329 -7.360 1.00 50.00 H new ATOM 2551 N ASP A 168 8.624 23.685 -10.276 1.00 25.00 N ATOM 2552 CA ASP A 168 8.930 25.066 -10.706 1.00 25.00 C ATOM 2553 C ASP A 168 7.808 25.473 -11.665 1.00 25.00 C ATOM 2554 O ASP A 168 7.804 25.082 -12.864 1.00 25.00 O ATOM 2555 CB ASP A 168 10.265 25.073 -11.410 1.00 25.00 C ATOM 2556 CG ASP A 168 10.569 26.437 -11.907 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.347 26.469 -12.864 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.159 27.471 -11.355 1.00 25.00 O1- ATOM 0 H ASP A 168 8.576 23.010 -11.039 1.00 25.00 H new ATOM 0 HA ASP A 168 8.988 25.760 -9.867 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.048 24.743 -10.727 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.251 24.369 -12.242 1.00 25.00 H new ATOM 2563 N LEU A 169 6.851 26.207 -11.074 1.00 25.00 N ATOM 2564 CA LEU A 169 5.603 26.475 -11.760 1.00 25.00 C ATOM 2565 C LEU A 169 5.942 27.787 -12.522 1.00 25.00 C ATOM 2566 O LEU A 169 6.410 28.773 -11.890 1.00 25.00 O ATOM 2567 CB LEU A 169 4.465 26.624 -10.704 1.00 25.00 C ATOM 2568 CG LEU A 169 4.181 25.377 -9.867 1.00 25.00 C ATOM 2569 CD1 LEU A 169 2.986 25.585 -8.890 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.865 24.224 -10.756 1.00 50.00 C ATOM 0 H LEU A 169 6.926 26.613 -10.141 1.00 25.00 H new ATOM 0 HA LEU A 169 5.244 25.700 -12.438 1.00 25.00 H new ATOM 0 HB2 LEU A 169 4.722 27.442 -10.031 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.549 26.911 -11.220 1.00 25.00 H new ATOM 0 HG LEU A 169 5.079 25.178 -9.282 1.00 25.00 H new ATOM 0 HD11 LEU A 169 2.822 24.673 -8.317 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.211 26.406 -8.209 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.087 25.822 -9.460 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.664 23.341 -10.149 1.00 50.00 H new ATOM 0 HD22 LEU A 169 2.987 24.458 -11.357 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.713 24.028 -11.413 1.00 50.00 H new ATOM 2582 N VAL A 170 5.827 27.875 -13.861 1.00 25.00 N ATOM 2583 CA VAL A 170 6.190 29.104 -14.621 1.00 25.00 C ATOM 2584 C VAL A 170 5.084 29.838 -15.310 1.00 25.00 C ATOM 2585 O VAL A 170 3.974 29.340 -15.460 1.00 25.00 O ATOM 2586 CB VAL A 170 7.361 28.843 -15.592 1.00 25.00 C ATOM 2587 CG1 VAL A 170 8.512 28.194 -14.922 1.00 50.00 C ATOM 2588 CG2 VAL A 170 6.767 27.950 -16.758 1.00 50.00 C ATOM 0 H VAL A 170 5.486 27.113 -14.447 1.00 25.00 H new ATOM 0 HA VAL A 170 6.496 29.790 -13.831 1.00 25.00 H new ATOM 0 HB VAL A 170 7.762 29.779 -15.980 1.00 25.00 H new ATOM 0 HG11 VAL A 170 9.310 28.031 -15.646 1.00 50.00 H new ATOM 0 HG12 VAL A 170 8.875 28.836 -14.120 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.198 27.236 -14.506 1.00 50.00 H new ATOM 0 HG21 VAL A 170 7.551 27.729 -17.483 1.00 50.00 H new ATOM 0 HG22 VAL A 170 6.383 27.018 -16.343 1.00 50.00 H new ATOM 0 HG23 VAL A 170 5.958 28.488 -17.252 1.00 50.00 H new ATOM 2598 N ASN A 171 5.316 31.065 -15.671 1.00 25.00 N ATOM 2599 CA ASN A 171 4.317 31.977 -16.139 1.00 25.00 C ATOM 2600 C ASN A 171 4.119 31.745 -17.631 1.00 25.00 C ATOM 2601 O ASN A 171 4.962 31.075 -18.326 1.00 25.00 O ATOM 2602 CB ASN A 171 4.805 33.418 -15.911 1.00 25.00 C ATOM 2603 CG ASN A 171 6.020 33.822 -16.736 1.00 25.00 C ATOM 2604 OD1 ASN A 171 7.013 33.135 -16.717 1.00 25.00 O ATOM 2605 ND2 ASN A 171 6.011 35.015 -17.269 1.00 25.00 N ATOM 0 H ASN A 171 6.250 31.475 -15.646 1.00 25.00 H new ATOM 0 HA ASN A 171 3.380 31.821 -15.605 1.00 25.00 H new ATOM 0 HB2 ASN A 171 3.987 34.103 -16.136 1.00 25.00 H new ATOM 0 HB3 ASN A 171 5.044 33.542 -14.855 1.00 25.00 H new ATOM 0 HD21 ASN A 171 6.861 35.393 -17.687 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.154 35.568 -17.267 1.00 25.00 H new ATOM 2612 N LYS A 172 3.013 32.266 -18.189 1.00 25.00 N ATOM 2613 CA LYS A 172 2.734 32.113 -19.652 1.00 25.00 C ATOM 2614 C LYS A 172 3.666 33.060 -20.430 1.00 25.00 C ATOM 2615 O LYS A 172 3.830 32.824 -21.617 1.00 25.00 O ATOM 2616 CB LYS A 172 1.291 32.499 -19.985 1.00 25.00 C ATOM 2617 CG LYS A 172 0.815 33.908 -19.566 1.00 25.00 C ATOM 2618 CD LYS A 172 -0.718 34.063 -19.645 1.00 25.00 C ATOM 2619 CE LYS A 172 -1.203 35.328 -19.014 1.00 25.00 C ATOM 2620 NZ LYS A 172 -2.646 35.342 -18.856 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 4.216 34.040 -19.862 1.00 25.00 O1- ATOM 0 H LYS A 172 2.304 32.788 -17.674 1.00 25.00 H new ATOM 0 HA LYS A 172 2.897 31.070 -19.925 1.00 25.00 H new ATOM 0 HB2 LYS A 172 1.158 32.406 -21.063 1.00 25.00 H new ATOM 0 HB3 LYS A 172 0.631 31.768 -19.518 1.00 25.00 H new ATOM 0 HG2 LYS A 172 1.145 34.111 -18.547 1.00 25.00 H new ATOM 0 HG3 LYS A 172 1.286 34.653 -20.208 1.00 25.00 H new ATOM 0 HD2 LYS A 172 -1.028 34.041 -20.690 1.00 25.00 H new ATOM 0 HD3 LYS A 172 -1.191 33.212 -19.154 1.00 25.00 H new ATOM 0 HE2 LYS A 172 -0.731 35.450 -18.039 1.00 25.00 H new ATOM 0 HE3 LYS A 172 -0.898 36.177 -19.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -2.938 36.237 -18.415 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -3.098 35.252 -19.788 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -2.937 34.547 -18.252 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 -1.935 0.385 -0.146 1.00 0.00 CU