USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= -1.44 K(o=-1.8,f=-3.7) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.323 K(o=-1.8,f=-4.6) USER MOD Set 2.1: A 61 GLN : amide:sc= -0.38 X(o=-0.6,f=-0.42) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.224 X(o=-0.6,f=-0.15) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.9) USER MOD Set 4.1: A 27 TYR OH : rot 7:sc=-0.00827 USER MOD Set 4.2: A 41 MET CE :methyl -165:sc= -0.0723 (180deg=-0.461) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-2.9!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.00072) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.46) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 164:sc= -0.0872 (180deg=-0.488) USER MOD Single : A 32 ASN : amide:sc= -2.48! K(o=-2.5!,f=-0.098) USER MOD Single : A 33 ASN : amide:sc= -0.285 K(o=-0.29,f=-1) USER MOD Single : A 36 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.13) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 35:sc= 0.34 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0197 (180deg=-0.168) USER MOD Single : A 62 CYS SG : rot 72:sc= -4.48! USER MOD Single : A 68 GLN : amide:sc= -0.932 K(o=-0.93,f=-6!) USER MOD Single : A 71 THR OG1 : rot 142:sc= 0.806 USER MOD Single : A 73 MET CE :methyl 168:sc= -0.0408 (180deg=-0.302) USER MOD Single : A 77 SER OG : rot 73:sc= 0.912 USER MOD Single : A 81 HIS : no HE2:sc= 0.62 K(o=0.62,f=-3.2!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.692 -28.021 -22.853 1.00 73.22 N ATOM 2 CA MET A 1 2.780 -27.038 -22.642 1.00 15.13 C ATOM 3 C MET A 1 3.761 -27.557 -21.592 1.00 45.32 C ATOM 4 O MET A 1 3.418 -27.680 -20.414 1.00 32.32 O ATOM 5 CB MET A 1 2.203 -25.682 -22.203 1.00 22.50 C ATOM 6 CG MET A 1 3.261 -24.614 -21.946 1.00 70.23 C ATOM 7 SD MET A 1 4.252 -24.249 -23.409 1.00 24.24 S ATOM 8 CE MET A 1 5.314 -22.938 -22.790 1.00 64.32 C ATOM 0 H1 MET A 1 1.030 -27.658 -23.569 1.00 73.22 H new ATOM 0 H2 MET A 1 2.096 -28.922 -23.180 1.00 73.22 H new ATOM 0 H3 MET A 1 1.184 -28.174 -21.958 1.00 73.22 H new ATOM 0 HA MET A 1 3.311 -26.900 -23.584 1.00 15.13 H new ATOM 0 HB2 MET A 1 1.518 -25.324 -22.972 1.00 22.50 H new ATOM 0 HB3 MET A 1 1.617 -25.824 -21.295 1.00 22.50 H new ATOM 0 HG2 MET A 1 2.774 -23.700 -21.605 1.00 70.23 H new ATOM 0 HG3 MET A 1 3.917 -24.945 -21.141 1.00 70.23 H new ATOM 0 HE1 MET A 1 5.985 -22.608 -23.583 1.00 64.32 H new ATOM 0 HE2 MET A 1 4.702 -22.099 -22.460 1.00 64.32 H new ATOM 0 HE3 MET A 1 5.901 -23.311 -21.950 1.00 64.32 H new ATOM 20 N ALA A 2 4.984 -27.858 -22.022 1.00 54.21 N ATOM 21 CA ALA A 2 6.006 -28.406 -21.137 1.00 14.23 C ATOM 22 C ALA A 2 6.663 -27.304 -20.304 1.00 44.12 C ATOM 23 O ALA A 2 7.868 -27.066 -20.406 1.00 53.24 O ATOM 24 CB ALA A 2 7.050 -29.169 -21.947 1.00 73.44 C ATOM 0 H ALA A 2 5.292 -27.730 -22.986 1.00 54.21 H new ATOM 0 HA ALA A 2 5.525 -29.100 -20.447 1.00 14.23 H new ATOM 0 HB1 ALA A 2 7.807 -29.573 -21.275 1.00 73.44 H new ATOM 0 HB2 ALA A 2 6.568 -29.986 -22.484 1.00 73.44 H new ATOM 0 HB3 ALA A 2 7.521 -28.494 -22.661 1.00 73.44 H new ATOM 30 N HIS A 3 5.861 -26.624 -19.492 1.00 41.44 N ATOM 31 CA HIS A 3 6.368 -25.598 -18.584 1.00 1.43 C ATOM 32 C HIS A 3 6.528 -26.206 -17.195 1.00 4.31 C ATOM 33 O HIS A 3 5.575 -26.750 -16.636 1.00 2.31 O ATOM 34 CB HIS A 3 5.422 -24.388 -18.541 1.00 5.12 C ATOM 35 CG HIS A 3 5.957 -23.225 -17.751 1.00 63.14 C ATOM 36 ND1 HIS A 3 6.817 -22.289 -18.282 1.00 24.54 N ATOM 37 CD2 HIS A 3 5.742 -22.844 -16.468 1.00 72.24 C ATOM 38 CE1 HIS A 3 7.109 -21.387 -17.364 1.00 45.21 C ATOM 39 NE2 HIS A 3 6.469 -21.699 -16.254 1.00 10.03 N ATOM 0 H HIS A 3 4.852 -26.765 -19.443 1.00 41.44 H new ATOM 0 HA HIS A 3 7.335 -25.244 -18.942 1.00 1.43 H new ATOM 0 HB2 HIS A 3 5.220 -24.060 -19.561 1.00 5.12 H new ATOM 0 HB3 HIS A 3 4.469 -24.699 -18.112 1.00 5.12 H new ATOM 0 HD2 HIS A 3 5.115 -23.348 -15.747 1.00 72.24 H new ATOM 0 HE1 HIS A 3 7.762 -20.537 -17.499 1.00 45.21 H new ATOM 0 HE2 HIS A 3 6.508 -21.175 -15.380 1.00 10.03 H new ATOM 48 N HIS A 4 7.733 -26.125 -16.651 1.00 40.34 N ATOM 49 CA HIS A 4 8.068 -26.821 -15.411 1.00 51.01 C ATOM 50 C HIS A 4 7.939 -25.903 -14.198 1.00 53.23 C ATOM 51 O HIS A 4 8.788 -25.042 -13.964 1.00 0.34 O ATOM 52 CB HIS A 4 9.487 -27.394 -15.496 1.00 50.20 C ATOM 53 CG HIS A 4 9.698 -28.307 -16.666 1.00 33.32 C ATOM 54 ND1 HIS A 4 9.471 -29.667 -16.618 1.00 30.31 N ATOM 55 CD2 HIS A 4 10.107 -28.043 -17.929 1.00 2.31 C ATOM 56 CE1 HIS A 4 9.731 -30.195 -17.800 1.00 13.25 C ATOM 57 NE2 HIS A 4 10.117 -29.230 -18.609 1.00 22.43 N ATOM 0 H HIS A 4 8.500 -25.583 -17.048 1.00 40.34 H new ATOM 0 HA HIS A 4 7.358 -27.638 -15.284 1.00 51.01 H new ATOM 0 HB2 HIS A 4 10.199 -26.571 -15.556 1.00 50.20 H new ATOM 0 HB3 HIS A 4 9.705 -27.938 -14.577 1.00 50.20 H new ATOM 0 HD2 HIS A 4 10.376 -27.075 -18.326 1.00 2.31 H new ATOM 0 HE1 HIS A 4 9.642 -31.240 -18.059 1.00 13.25 H new ATOM 0 HE2 HIS A 4 10.381 -29.349 -19.587 1.00 22.43 H new ATOM 66 N HIS A 5 6.858 -26.085 -13.449 1.00 52.40 N ATOM 67 CA HIS A 5 6.641 -25.382 -12.187 1.00 51.23 C ATOM 68 C HIS A 5 5.527 -26.079 -11.414 1.00 25.42 C ATOM 69 O HIS A 5 4.517 -26.467 -11.999 1.00 52.12 O ATOM 70 CB HIS A 5 6.286 -23.904 -12.423 1.00 11.32 C ATOM 71 CG HIS A 5 6.072 -23.118 -11.156 1.00 24.41 C ATOM 72 ND1 HIS A 5 7.105 -22.692 -10.347 1.00 1.43 N ATOM 73 CD2 HIS A 5 4.933 -22.687 -10.558 1.00 64.02 C ATOM 74 CE1 HIS A 5 6.613 -22.035 -9.314 1.00 33.02 C ATOM 75 NE2 HIS A 5 5.300 -22.019 -9.418 1.00 22.00 N ATOM 0 H HIS A 5 6.104 -26.725 -13.699 1.00 52.40 H new ATOM 0 HA HIS A 5 7.564 -25.407 -11.608 1.00 51.23 H new ATOM 0 HB2 HIS A 5 7.085 -23.436 -12.999 1.00 11.32 H new ATOM 0 HB3 HIS A 5 5.382 -23.850 -13.030 1.00 11.32 H new ATOM 0 HD2 HIS A 5 3.925 -22.841 -10.914 1.00 64.02 H new ATOM 0 HE1 HIS A 5 7.189 -21.586 -8.518 1.00 33.02 H new ATOM 0 HE2 HIS A 5 4.659 -21.580 -8.757 1.00 22.00 H new ATOM 84 N HIS A 6 5.724 -26.266 -10.113 1.00 34.21 N ATOM 85 CA HIS A 6 4.726 -26.924 -9.272 1.00 74.21 C ATOM 86 C HIS A 6 4.384 -26.051 -8.071 1.00 71.31 C ATOM 87 O HIS A 6 5.273 -25.455 -7.458 1.00 5.52 O ATOM 88 CB HIS A 6 5.233 -28.288 -8.783 1.00 64.32 C ATOM 89 CG HIS A 6 5.594 -29.247 -9.877 1.00 13.35 C ATOM 90 ND1 HIS A 6 6.754 -29.992 -9.868 1.00 0.10 N ATOM 91 CD2 HIS A 6 4.933 -29.598 -11.007 1.00 40.24 C ATOM 92 CE1 HIS A 6 6.793 -30.756 -10.941 1.00 55.12 C ATOM 93 NE2 HIS A 6 5.701 -30.538 -11.648 1.00 52.24 N ATOM 0 H HIS A 6 6.565 -25.972 -9.617 1.00 34.21 H new ATOM 0 HA HIS A 6 3.831 -27.077 -9.875 1.00 74.21 H new ATOM 0 HB2 HIS A 6 6.108 -28.131 -8.152 1.00 64.32 H new ATOM 0 HB3 HIS A 6 4.466 -28.743 -8.157 1.00 64.32 H new ATOM 0 HD2 HIS A 6 3.981 -29.211 -11.340 1.00 40.24 H new ATOM 0 HE1 HIS A 6 7.585 -31.444 -11.198 1.00 55.12 H new ATOM 0 HE2 HIS A 6 5.465 -30.994 -12.529 1.00 52.24 H new ATOM 102 N HIS A 7 3.097 -25.982 -7.747 1.00 31.13 N ATOM 103 CA HIS A 7 2.613 -25.214 -6.602 1.00 13.43 C ATOM 104 C HIS A 7 2.108 -26.166 -5.516 1.00 13.23 C ATOM 105 O HIS A 7 0.987 -26.673 -5.590 1.00 24.42 O ATOM 106 CB HIS A 7 1.502 -24.250 -7.055 1.00 45.10 C ATOM 107 CG HIS A 7 0.908 -23.417 -5.960 1.00 22.34 C ATOM 108 ND1 HIS A 7 1.513 -22.286 -5.457 1.00 12.53 N ATOM 109 CD2 HIS A 7 -0.264 -23.539 -5.295 1.00 21.41 C ATOM 110 CE1 HIS A 7 0.742 -21.751 -4.531 1.00 22.12 C ATOM 111 NE2 HIS A 7 -0.346 -22.491 -4.413 1.00 52.52 N ATOM 0 H HIS A 7 2.360 -26.456 -8.269 1.00 31.13 H new ATOM 0 HA HIS A 7 3.429 -24.624 -6.185 1.00 13.43 H new ATOM 0 HB2 HIS A 7 1.906 -23.586 -7.819 1.00 45.10 H new ATOM 0 HB3 HIS A 7 0.707 -24.829 -7.524 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -0.999 -24.318 -5.433 1.00 21.41 H new ATOM 0 HE1 HIS A 7 0.963 -20.858 -3.964 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -1.119 -22.313 -3.772 1.00 52.52 H new ATOM 120 N HIS A 8 2.954 -26.413 -4.519 1.00 52.21 N ATOM 121 CA HIS A 8 2.662 -27.384 -3.461 1.00 10.20 C ATOM 122 C HIS A 8 1.811 -26.765 -2.353 1.00 44.12 C ATOM 123 O HIS A 8 2.240 -26.683 -1.200 1.00 2.14 O ATOM 124 CB HIS A 8 3.967 -27.943 -2.866 1.00 2.10 C ATOM 125 CG HIS A 8 4.710 -28.871 -3.779 1.00 65.54 C ATOM 126 ND1 HIS A 8 4.977 -30.186 -3.462 1.00 13.43 N ATOM 127 CD2 HIS A 8 5.253 -28.667 -5.002 1.00 64.25 C ATOM 128 CE1 HIS A 8 5.647 -30.747 -4.448 1.00 71.44 C ATOM 129 NE2 HIS A 8 5.827 -29.849 -5.395 1.00 64.15 N ATOM 0 H HIS A 8 3.857 -25.950 -4.419 1.00 52.21 H new ATOM 0 HA HIS A 8 2.095 -28.199 -3.912 1.00 10.20 H new ATOM 0 HB2 HIS A 8 4.619 -27.110 -2.603 1.00 2.10 H new ATOM 0 HB3 HIS A 8 3.735 -28.470 -1.941 1.00 2.10 H new ATOM 0 HD2 HIS A 8 5.237 -27.745 -5.564 1.00 64.25 H new ATOM 0 HE1 HIS A 8 5.991 -31.770 -4.475 1.00 71.44 H new ATOM 0 HE2 HIS A 8 6.314 -30.007 -6.277 1.00 64.15 H new ATOM 138 N MET A 9 0.605 -26.332 -2.705 1.00 12.25 N ATOM 139 CA MET A 9 -0.341 -25.771 -1.735 1.00 2.23 C ATOM 140 C MET A 9 -1.771 -26.073 -2.167 1.00 52.43 C ATOM 141 O MET A 9 -2.026 -26.382 -3.334 1.00 54.21 O ATOM 142 CB MET A 9 -0.152 -24.251 -1.574 1.00 51.52 C ATOM 143 CG MET A 9 1.052 -23.849 -0.723 1.00 71.54 C ATOM 144 SD MET A 9 0.934 -24.467 0.970 1.00 31.53 S ATOM 145 CE MET A 9 2.451 -23.830 1.682 1.00 44.51 C ATOM 0 H MET A 9 0.253 -26.358 -3.662 1.00 12.25 H new ATOM 0 HA MET A 9 -0.145 -26.238 -0.770 1.00 2.23 H new ATOM 0 HB2 MET A 9 -0.048 -23.804 -2.563 1.00 51.52 H new ATOM 0 HB3 MET A 9 -1.053 -23.831 -1.127 1.00 51.52 H new ATOM 0 HG2 MET A 9 1.963 -24.231 -1.184 1.00 71.54 H new ATOM 0 HG3 MET A 9 1.135 -22.762 -0.705 1.00 71.54 H new ATOM 0 HE1 MET A 9 2.517 -24.132 2.727 1.00 44.51 H new ATOM 0 HE2 MET A 9 3.305 -24.228 1.134 1.00 44.51 H new ATOM 0 HE3 MET A 9 2.454 -22.742 1.618 1.00 44.51 H new ATOM 155 N GLY A 10 -2.696 -25.978 -1.218 1.00 33.52 N ATOM 156 CA GLY A 10 -4.093 -26.252 -1.498 1.00 73.32 C ATOM 157 C GLY A 10 -4.733 -25.192 -2.376 1.00 21.22 C ATOM 158 O GLY A 10 -4.140 -24.136 -2.618 1.00 31.32 O ATOM 0 H GLY A 10 -2.501 -25.714 -0.252 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -4.178 -27.223 -1.987 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -4.641 -26.319 -0.558 1.00 73.32 H new ATOM 162 N THR A 11 -5.946 -25.468 -2.844 1.00 23.20 N ATOM 163 CA THR A 11 -6.660 -24.551 -3.726 1.00 64.11 C ATOM 164 C THR A 11 -7.323 -23.428 -2.928 1.00 2.14 C ATOM 165 O THR A 11 -7.246 -22.258 -3.302 1.00 24.42 O ATOM 166 CB THR A 11 -7.734 -25.295 -4.554 1.00 61.21 C ATOM 167 OG1 THR A 11 -7.141 -26.414 -5.230 1.00 21.55 O ATOM 168 CG2 THR A 11 -8.385 -24.368 -5.581 1.00 2.40 C ATOM 0 H THR A 11 -6.457 -26.323 -2.626 1.00 23.20 H new ATOM 0 HA THR A 11 -5.925 -24.120 -4.406 1.00 64.11 H new ATOM 0 HB THR A 11 -8.505 -25.643 -3.867 1.00 61.21 H new ATOM 0 HG1 THR A 11 -7.826 -26.882 -5.751 1.00 21.55 H new ATOM 0 HG21 THR A 11 -9.135 -24.921 -6.146 1.00 2.40 H new ATOM 0 HG22 THR A 11 -8.861 -23.533 -5.067 1.00 2.40 H new ATOM 0 HG23 THR A 11 -7.624 -23.988 -6.263 1.00 2.40 H new ATOM 176 N LEU A 12 -7.962 -23.795 -1.819 1.00 10.11 N ATOM 177 CA LEU A 12 -8.702 -22.838 -1.000 1.00 62.34 C ATOM 178 C LEU A 12 -8.722 -23.309 0.455 1.00 50.51 C ATOM 179 O LEU A 12 -8.537 -22.520 1.382 1.00 4.12 O ATOM 180 CB LEU A 12 -10.131 -22.687 -1.559 1.00 73.43 C ATOM 181 CG LEU A 12 -10.872 -21.374 -1.214 1.00 43.20 C ATOM 182 CD1 LEU A 12 -12.148 -21.251 -2.044 1.00 34.05 C ATOM 183 CD2 LEU A 12 -11.210 -21.290 0.273 1.00 2.42 C ATOM 0 H LEU A 12 -7.982 -24.752 -1.466 1.00 10.11 H new ATOM 0 HA LEU A 12 -8.214 -21.864 -1.032 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -10.084 -22.777 -2.644 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -10.730 -23.522 -1.195 1.00 73.43 H new ATOM 0 HG LEU A 12 -10.203 -20.548 -1.454 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.659 -20.322 -1.790 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -11.894 -21.248 -3.104 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -12.803 -22.095 -1.831 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -11.730 -20.354 0.476 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -11.851 -22.128 0.548 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -10.291 -21.329 0.858 1.00 2.42 H new ATOM 195 N GLU A 13 -8.913 -24.614 0.646 1.00 11.24 N ATOM 196 CA GLU A 13 -8.941 -25.209 1.984 1.00 2.42 C ATOM 197 C GLU A 13 -7.526 -25.397 2.536 1.00 25.54 C ATOM 198 O GLU A 13 -7.325 -26.127 3.509 1.00 43.43 O ATOM 199 CB GLU A 13 -9.673 -26.563 1.968 1.00 52.23 C ATOM 200 CG GLU A 13 -11.154 -26.474 1.611 1.00 2.02 C ATOM 201 CD GLU A 13 -11.397 -26.025 0.179 1.00 23.10 C ATOM 202 OE1 GLU A 13 -10.926 -26.713 -0.755 1.00 20.54 O ATOM 203 OE2 GLU A 13 -12.072 -24.996 -0.026 1.00 31.04 O ATOM 0 H GLU A 13 -9.051 -25.283 -0.112 1.00 11.24 H new ATOM 0 HA GLU A 13 -9.481 -24.521 2.634 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -9.178 -27.221 1.254 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -9.575 -27.027 2.950 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -11.617 -27.449 1.763 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -11.644 -25.778 2.292 1.00 2.02 H new ATOM 210 N ALA A 14 -6.554 -24.722 1.927 1.00 34.40 N ATOM 211 CA ALA A 14 -5.165 -24.812 2.359 1.00 21.23 C ATOM 212 C ALA A 14 -5.032 -24.426 3.831 1.00 55.24 C ATOM 213 O ALA A 14 -5.520 -23.377 4.255 1.00 61.00 O ATOM 214 CB ALA A 14 -4.284 -23.923 1.487 1.00 34.11 C ATOM 0 H ALA A 14 -6.706 -24.105 1.129 1.00 34.40 H new ATOM 0 HA ALA A 14 -4.833 -25.844 2.249 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -3.249 -23.999 1.819 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -4.356 -24.246 0.448 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -4.617 -22.888 1.569 1.00 34.11 H new ATOM 220 N GLN A 15 -4.404 -25.298 4.614 1.00 62.31 N ATOM 221 CA GLN A 15 -4.143 -25.023 6.023 1.00 61.21 C ATOM 222 C GLN A 15 -2.653 -25.179 6.320 1.00 41.33 C ATOM 223 O GLN A 15 -2.075 -26.246 6.100 1.00 55.20 O ATOM 224 CB GLN A 15 -4.978 -25.948 6.930 1.00 32.53 C ATOM 225 CG GLN A 15 -4.784 -27.440 6.663 1.00 2.10 C ATOM 226 CD GLN A 15 -5.484 -28.318 7.693 1.00 32.43 C ATOM 227 OE1 GLN A 15 -4.904 -28.670 8.722 1.00 73.03 O ATOM 228 NE2 GLN A 15 -6.727 -28.693 7.423 1.00 54.22 N ATOM 0 H GLN A 15 -4.065 -26.205 4.294 1.00 62.31 H new ATOM 0 HA GLN A 15 -4.437 -23.995 6.234 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -4.724 -25.742 7.970 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -6.033 -25.703 6.805 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -5.164 -27.679 5.670 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -3.718 -27.669 6.661 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -7.177 -28.383 6.562 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -7.233 -29.291 8.077 1.00 54.22 H new ATOM 237 N THR A 16 -2.027 -24.103 6.783 1.00 54.24 N ATOM 238 CA THR A 16 -0.620 -24.134 7.167 1.00 21.43 C ATOM 239 C THR A 16 -0.425 -25.051 8.377 1.00 75.24 C ATOM 240 O THR A 16 0.605 -25.709 8.519 1.00 55.04 O ATOM 241 CB THR A 16 -0.115 -22.710 7.500 1.00 2.14 C ATOM 242 OG1 THR A 16 -0.554 -21.795 6.482 1.00 30.03 O ATOM 243 CG2 THR A 16 1.408 -22.673 7.607 1.00 42.53 C ATOM 0 H THR A 16 -2.474 -23.194 6.902 1.00 54.24 H new ATOM 0 HA THR A 16 -0.043 -24.521 6.328 1.00 21.43 H new ATOM 0 HB THR A 16 -0.528 -22.416 8.465 1.00 2.14 H new ATOM 0 HG1 THR A 16 -0.236 -20.893 6.694 1.00 30.03 H new ATOM 0 HG21 THR A 16 1.732 -21.659 7.842 1.00 42.53 H new ATOM 0 HG22 THR A 16 1.734 -23.350 8.397 1.00 42.53 H new ATOM 0 HG23 THR A 16 1.847 -22.984 6.659 1.00 42.53 H new ATOM 251 N GLN A 17 -1.440 -25.095 9.232 1.00 13.34 N ATOM 252 CA GLN A 17 -1.443 -25.954 10.408 1.00 34.33 C ATOM 253 C GLN A 17 -2.867 -26.078 10.938 1.00 53.31 C ATOM 254 O GLN A 17 -3.634 -25.115 10.892 1.00 40.31 O ATOM 255 CB GLN A 17 -0.518 -25.387 11.501 1.00 1.43 C ATOM 256 CG GLN A 17 -0.495 -26.215 12.786 1.00 44.23 C ATOM 257 CD GLN A 17 -0.005 -27.638 12.568 1.00 62.21 C ATOM 258 OE1 GLN A 17 0.828 -27.901 11.699 1.00 74.11 O ATOM 259 NE2 GLN A 17 -0.531 -28.567 13.351 1.00 32.34 N ATOM 0 H GLN A 17 -2.286 -24.534 9.128 1.00 13.34 H new ATOM 0 HA GLN A 17 -1.071 -26.939 10.127 1.00 34.33 H new ATOM 0 HB2 GLN A 17 0.496 -25.320 11.106 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -0.835 -24.372 11.740 1.00 1.43 H new ATOM 0 HG2 GLN A 17 0.147 -25.724 13.517 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -1.498 -26.243 13.211 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -1.218 -28.308 14.059 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -0.249 -29.542 13.246 1.00 32.34 H new ATOM 268 N GLY A 18 -3.219 -27.263 11.424 1.00 74.42 N ATOM 269 CA GLY A 18 -4.538 -27.486 11.988 1.00 12.00 C ATOM 270 C GLY A 18 -4.464 -27.877 13.453 1.00 35.14 C ATOM 271 O GLY A 18 -4.457 -29.066 13.771 1.00 43.04 O ATOM 0 H GLY A 18 -2.609 -28.080 11.437 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -5.136 -26.581 11.883 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -5.046 -28.271 11.427 1.00 12.00 H new ATOM 275 N PRO A 19 -4.389 -26.895 14.376 1.00 2.43 N ATOM 276 CA PRO A 19 -4.325 -27.162 15.823 1.00 73.41 C ATOM 277 C PRO A 19 -5.635 -27.747 16.355 1.00 73.01 C ATOM 278 O PRO A 19 -5.672 -28.358 17.424 1.00 12.24 O ATOM 279 CB PRO A 19 -4.057 -25.774 16.445 1.00 61.45 C ATOM 280 CG PRO A 19 -3.651 -24.896 15.303 1.00 2.54 C ATOM 281 CD PRO A 19 -4.350 -25.449 14.093 1.00 51.13 C ATOM 0 HA PRO A 19 -3.559 -27.898 16.068 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -4.948 -25.387 16.940 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -3.271 -25.827 17.198 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -3.941 -23.861 15.483 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -2.569 -24.905 15.168 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -5.350 -25.032 13.977 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -3.805 -25.230 13.175 1.00 51.13 H new ATOM 289 N GLY A 20 -6.703 -27.553 15.589 1.00 44.34 N ATOM 290 CA GLY A 20 -8.014 -28.036 15.983 1.00 15.12 C ATOM 291 C GLY A 20 -8.841 -26.949 16.642 1.00 30.50 C ATOM 292 O GLY A 20 -8.714 -25.771 16.294 1.00 30.22 O ATOM 0 H GLY A 20 -6.683 -27.065 14.694 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -8.541 -28.412 15.106 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -7.901 -28.874 16.671 1.00 15.12 H new ATOM 296 N SER A 21 -9.682 -27.341 17.592 1.00 5.35 N ATOM 297 CA SER A 21 -10.530 -26.402 18.317 1.00 13.22 C ATOM 298 C SER A 21 -11.014 -27.029 19.622 1.00 35.21 C ATOM 299 O SER A 21 -10.751 -28.208 19.887 1.00 61.22 O ATOM 300 CB SER A 21 -11.718 -25.987 17.438 1.00 65.31 C ATOM 301 OG SER A 21 -12.403 -27.121 16.929 1.00 31.31 O ATOM 0 H SER A 21 -9.795 -28.313 17.880 1.00 5.35 H new ATOM 0 HA SER A 21 -9.951 -25.511 18.561 1.00 13.22 H new ATOM 0 HB2 SER A 21 -12.407 -25.374 18.019 1.00 65.31 H new ATOM 0 HB3 SER A 21 -11.364 -25.372 16.611 1.00 65.31 H new ATOM 0 HG SER A 21 -13.156 -26.827 16.374 1.00 31.31 H new ATOM 307 N MET A 22 -11.695 -26.236 20.441 1.00 40.34 N ATOM 308 CA MET A 22 -12.270 -26.711 21.697 1.00 11.43 C ATOM 309 C MET A 22 -13.771 -26.444 21.700 1.00 25.31 C ATOM 310 O MET A 22 -14.245 -25.512 22.355 1.00 73.35 O ATOM 311 CB MET A 22 -11.589 -26.032 22.900 1.00 14.10 C ATOM 312 CG MET A 22 -10.123 -26.418 23.074 1.00 73.13 C ATOM 313 SD MET A 22 -9.301 -25.511 24.406 1.00 12.04 S ATOM 314 CE MET A 22 -10.314 -25.961 25.816 1.00 34.42 C ATOM 0 H MET A 22 -11.865 -25.248 20.255 1.00 40.34 H new ATOM 0 HA MET A 22 -12.100 -27.784 21.785 1.00 11.43 H new ATOM 0 HB2 MET A 22 -11.659 -24.951 22.783 1.00 14.10 H new ATOM 0 HB3 MET A 22 -12.134 -26.291 23.808 1.00 14.10 H new ATOM 0 HG2 MET A 22 -10.057 -27.487 23.276 1.00 73.13 H new ATOM 0 HG3 MET A 22 -9.593 -26.237 22.139 1.00 73.13 H new ATOM 0 HE1 MET A 22 -9.783 -25.721 26.737 1.00 34.42 H new ATOM 0 HE2 MET A 22 -11.251 -25.406 25.782 1.00 34.42 H new ATOM 0 HE3 MET A 22 -10.524 -27.030 25.787 1.00 34.42 H new ATOM 324 N ASP A 23 -14.498 -27.268 20.931 1.00 74.42 N ATOM 325 CA ASP A 23 -15.942 -27.126 20.710 1.00 12.13 C ATOM 326 C ASP A 23 -16.363 -25.670 20.586 1.00 74.30 C ATOM 327 O ASP A 23 -17.348 -25.207 21.170 1.00 71.42 O ATOM 328 CB ASP A 23 -16.760 -27.852 21.767 1.00 21.15 C ATOM 329 CG ASP A 23 -16.462 -27.443 23.205 1.00 3.10 C ATOM 330 OD1 ASP A 23 -15.571 -28.062 23.827 1.00 33.13 O ATOM 331 OD2 ASP A 23 -17.141 -26.537 23.732 1.00 40.20 O ATOM 0 H ASP A 23 -14.092 -28.063 20.438 1.00 74.42 H new ATOM 0 HA ASP A 23 -16.154 -27.606 19.754 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -17.818 -27.680 21.568 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -16.587 -28.923 21.666 1.00 21.15 H new ATOM 336 N ASP A 24 -15.604 -24.982 19.778 1.00 42.31 N ATOM 337 CA ASP A 24 -15.821 -23.580 19.469 1.00 42.05 C ATOM 338 C ASP A 24 -17.046 -23.395 18.582 1.00 40.34 C ATOM 339 O ASP A 24 -17.685 -24.365 18.161 1.00 21.12 O ATOM 340 CB ASP A 24 -14.597 -23.020 18.733 1.00 70.42 C ATOM 341 CG ASP A 24 -13.434 -22.674 19.647 1.00 43.13 C ATOM 342 OD1 ASP A 24 -12.607 -23.565 19.931 1.00 14.53 O ATOM 343 OD2 ASP A 24 -13.327 -21.497 20.053 1.00 1.13 O ATOM 0 H ASP A 24 -14.796 -25.383 19.301 1.00 42.31 H new ATOM 0 HA ASP A 24 -15.980 -23.050 20.408 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -14.263 -23.751 17.996 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -14.893 -22.126 18.184 1.00 70.42 H new ATOM 348 N GLU A 25 -17.358 -22.138 18.304 1.00 43.24 N ATOM 349 CA GLU A 25 -18.356 -21.789 17.305 1.00 32.13 C ATOM 350 C GLU A 25 -17.698 -21.831 15.926 1.00 71.11 C ATOM 351 O GLU A 25 -16.739 -21.099 15.667 1.00 11.21 O ATOM 352 CB GLU A 25 -18.941 -20.394 17.595 1.00 24.04 C ATOM 353 CG GLU A 25 -17.879 -19.325 17.859 1.00 41.52 C ATOM 354 CD GLU A 25 -18.463 -17.969 18.222 1.00 11.45 C ATOM 355 OE1 GLU A 25 -19.295 -17.906 19.154 1.00 40.34 O ATOM 356 OE2 GLU A 25 -18.064 -16.956 17.604 1.00 25.03 O ATOM 0 H GLU A 25 -16.928 -21.335 18.763 1.00 43.24 H new ATOM 0 HA GLU A 25 -19.180 -22.502 17.335 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -19.554 -20.084 16.749 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -19.601 -20.459 18.460 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -17.230 -19.661 18.668 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -17.254 -19.217 16.972 1.00 41.52 H new ATOM 363 N LEU A 26 -18.184 -22.706 15.053 1.00 21.21 N ATOM 364 CA LEU A 26 -17.554 -22.900 13.752 1.00 15.43 C ATOM 365 C LEU A 26 -17.899 -21.769 12.793 1.00 11.11 C ATOM 366 O LEU A 26 -18.993 -21.201 12.830 1.00 33.23 O ATOM 367 CB LEU A 26 -17.940 -24.250 13.122 1.00 3.44 C ATOM 368 CG LEU A 26 -17.339 -25.502 13.786 1.00 42.43 C ATOM 369 CD1 LEU A 26 -15.839 -25.342 14.017 1.00 63.11 C ATOM 370 CD2 LEU A 26 -18.062 -25.838 15.089 1.00 21.13 C ATOM 0 H LEU A 26 -19.005 -23.288 15.220 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.478 -22.898 13.926 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -19.026 -24.339 13.140 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.639 -24.239 12.075 1.00 3.44 H new ATOM 0 HG LEU A 26 -17.482 -26.337 13.100 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -15.445 -26.243 14.487 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -15.339 -25.183 13.062 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -15.660 -24.486 14.667 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -17.615 -26.727 15.534 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -17.972 -25.001 15.781 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -19.116 -26.026 14.882 1.00 21.13 H new ATOM 382 N TYR A 27 -16.937 -21.455 11.946 1.00 5.01 N ATOM 383 CA TYR A 27 -17.086 -20.478 10.890 1.00 1.23 C ATOM 384 C TYR A 27 -16.609 -21.091 9.583 1.00 21.45 C ATOM 385 O TYR A 27 -15.703 -21.944 9.576 1.00 35.30 O ATOM 386 CB TYR A 27 -16.260 -19.212 11.187 1.00 52.12 C ATOM 387 CG TYR A 27 -16.922 -18.222 12.132 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.064 -18.495 13.488 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.388 -16.999 11.658 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.654 -17.580 14.340 1.00 54.23 C ATOM 391 CE2 TYR A 27 -17.979 -16.084 12.502 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.110 -16.377 13.839 1.00 13.21 C ATOM 393 OH TYR A 27 -18.692 -15.456 14.682 1.00 30.44 O ATOM 0 H TYR A 27 -16.011 -21.883 11.976 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.136 -20.195 10.820 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.302 -19.512 11.612 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.047 -18.706 10.245 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -16.708 -19.436 13.881 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.284 -16.763 10.609 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -17.758 -17.805 15.391 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.337 -15.141 12.115 1.00 1.01 H new ATOM 0 HH TYR A 27 -18.608 -15.762 15.609 1.00 30.44 H new ATOM 403 N PHE A 28 -17.226 -20.663 8.493 1.00 71.32 N ATOM 404 CA PHE A 28 -16.786 -21.007 7.149 1.00 10.14 C ATOM 405 C PHE A 28 -16.250 -19.756 6.476 1.00 42.44 C ATOM 406 O PHE A 28 -16.475 -18.643 6.960 1.00 44.14 O ATOM 407 CB PHE A 28 -17.949 -21.587 6.313 1.00 40.34 C ATOM 408 CG PHE A 28 -17.793 -23.049 5.986 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.598 -23.532 5.482 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.836 -23.939 6.184 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.449 -24.867 5.183 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.685 -25.281 5.885 1.00 21.32 C ATOM 413 CZ PHE A 28 -17.492 -25.742 5.386 1.00 60.33 C ATOM 0 H PHE A 28 -18.051 -20.064 8.515 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.007 -21.767 7.216 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.882 -21.444 6.858 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.032 -21.023 5.384 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.773 -22.854 5.322 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.777 -23.581 6.576 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.511 -25.229 4.788 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -19.505 -25.966 6.044 1.00 21.32 H new ATOM 0 HZ PHE A 28 -17.372 -26.790 5.153 1.00 60.33 H new ATOM 423 N VAL A 29 -15.557 -19.933 5.362 1.00 31.31 N ATOM 424 CA VAL A 29 -15.101 -18.810 4.566 1.00 3.35 C ATOM 425 C VAL A 29 -16.146 -18.575 3.483 1.00 63.31 C ATOM 426 O VAL A 29 -16.338 -19.418 2.634 1.00 22.10 O ATOM 427 CB VAL A 29 -13.703 -19.103 3.954 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.365 -18.132 2.826 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.620 -19.079 5.041 1.00 71.30 C ATOM 0 H VAL A 29 -15.299 -20.847 4.990 1.00 31.31 H new ATOM 0 HA VAL A 29 -14.990 -17.916 5.180 1.00 3.35 H new ATOM 0 HB VAL A 29 -13.736 -20.103 3.522 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.380 -18.370 2.424 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.110 -18.219 2.035 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.363 -17.113 3.212 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -11.649 -19.286 4.592 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.599 -18.096 5.512 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -12.842 -19.837 5.792 1.00 71.30 H new ATOM 439 N VAL A 30 -16.869 -17.465 3.547 1.00 64.44 N ATOM 440 CA VAL A 30 -18.020 -17.257 2.664 1.00 74.31 C ATOM 441 C VAL A 30 -17.908 -15.951 1.902 1.00 41.10 C ATOM 442 O VAL A 30 -17.075 -15.101 2.227 1.00 44.12 O ATOM 443 CB VAL A 30 -19.346 -17.254 3.456 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.455 -18.505 4.324 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.487 -15.977 4.288 1.00 64.13 C ATOM 0 H VAL A 30 -16.685 -16.698 4.194 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.021 -18.088 1.958 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.171 -17.269 2.744 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.396 -18.485 4.874 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.424 -19.391 3.690 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.623 -18.533 5.028 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.429 -16.001 4.835 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.659 -15.909 4.994 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.473 -15.109 3.628 1.00 64.13 H new ATOM 455 N ARG A 31 -18.755 -15.796 0.886 1.00 74.21 N ATOM 456 CA ARG A 31 -18.794 -14.552 0.113 1.00 61.34 C ATOM 457 C ARG A 31 -20.047 -14.486 -0.753 1.00 65.32 C ATOM 458 O ARG A 31 -20.772 -15.475 -0.881 1.00 35.24 O ATOM 459 CB ARG A 31 -17.544 -14.441 -0.773 1.00 41.42 C ATOM 460 CG ARG A 31 -17.400 -15.573 -1.784 1.00 24.13 C ATOM 461 CD ARG A 31 -16.151 -15.426 -2.646 1.00 34.43 C ATOM 462 NE ARG A 31 -16.054 -16.490 -3.647 1.00 52.03 N ATOM 463 CZ ARG A 31 -15.048 -16.633 -4.513 1.00 70.33 C ATOM 464 NH1 ARG A 31 -14.028 -15.784 -4.517 1.00 13.04 N ATOM 465 NH2 ARG A 31 -15.072 -17.633 -5.385 1.00 53.34 N ATOM 0 H ARG A 31 -19.418 -16.508 0.579 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.815 -13.718 0.815 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.573 -13.491 -1.307 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.660 -14.422 -0.136 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.364 -16.526 -1.256 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -18.281 -15.598 -2.426 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -16.166 -14.457 -3.145 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.266 -15.443 -2.010 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.811 -17.173 -3.686 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -14.006 -15.010 -3.853 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -13.266 -15.905 -5.184 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -15.856 -18.286 -5.391 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.307 -17.749 -6.050 1.00 53.34 H new ATOM 479 N ASN A 32 -20.305 -13.317 -1.339 1.00 2.23 N ATOM 480 CA ASN A 32 -21.378 -13.174 -2.321 1.00 31.43 C ATOM 481 C ASN A 32 -21.113 -11.986 -3.243 1.00 1.13 C ATOM 482 O ASN A 32 -20.689 -10.926 -2.788 1.00 32.34 O ATOM 483 CB ASN A 32 -22.742 -12.994 -1.622 1.00 44.45 C ATOM 484 CG ASN A 32 -22.906 -11.661 -0.886 1.00 22.14 C ATOM 485 OD1 ASN A 32 -24.004 -11.108 -0.834 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.836 -11.141 -0.294 1.00 21.21 N ATOM 0 H ASN A 32 -19.787 -12.458 -1.151 1.00 2.23 H new ATOM 0 HA ASN A 32 -21.405 -14.086 -2.917 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -23.533 -13.083 -2.367 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.882 -13.808 -0.910 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -21.913 -10.263 0.219 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -20.937 -11.620 -0.353 1.00 21.21 H new ATOM 493 N ASN A 33 -21.411 -12.183 -4.531 1.00 42.50 N ATOM 494 CA ASN A 33 -21.285 -11.160 -5.597 1.00 1.24 C ATOM 495 C ASN A 33 -20.014 -10.284 -5.489 1.00 14.24 C ATOM 496 O ASN A 33 -19.888 -9.278 -6.193 1.00 32.20 O ATOM 497 CB ASN A 33 -22.536 -10.262 -5.610 1.00 73.12 C ATOM 498 CG ASN A 33 -22.686 -9.467 -6.903 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.300 -9.926 -7.981 1.00 42.53 O ATOM 500 ND2 ASN A 33 -23.244 -8.271 -6.806 1.00 65.15 N ATOM 0 H ASN A 33 -21.756 -13.078 -4.879 1.00 42.50 H new ATOM 0 HA ASN A 33 -21.194 -11.711 -6.533 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -23.422 -10.880 -5.465 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -22.489 -9.571 -4.768 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -23.367 -7.696 -7.640 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -23.551 -7.924 -5.897 1.00 65.15 H new ATOM 507 N GLU A 34 -19.072 -10.656 -4.627 1.00 12.12 N ATOM 508 CA GLU A 34 -17.912 -9.806 -4.339 1.00 15.25 C ATOM 509 C GLU A 34 -16.610 -10.419 -4.847 1.00 55.43 C ATOM 510 O GLU A 34 -15.679 -9.702 -5.218 1.00 11.43 O ATOM 511 CB GLU A 34 -17.822 -9.566 -2.827 1.00 31.40 C ATOM 512 CG GLU A 34 -17.613 -10.849 -2.022 1.00 45.21 C ATOM 513 CD GLU A 34 -17.857 -10.673 -0.531 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.981 -10.112 0.163 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.932 -11.092 -0.053 1.00 52.32 O ATOM 0 H GLU A 34 -19.085 -11.538 -4.115 1.00 12.12 H new ATOM 0 HA GLU A 34 -18.051 -8.860 -4.863 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -17.000 -8.880 -2.623 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.736 -9.078 -2.489 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -18.281 -11.621 -2.403 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.594 -11.204 -2.176 1.00 45.21 H new ATOM 522 N GLY A 35 -16.537 -11.748 -4.836 1.00 13.30 N ATOM 523 CA GLY A 35 -15.296 -12.438 -5.165 1.00 3.53 C ATOM 524 C GLY A 35 -14.283 -12.404 -4.021 1.00 21.20 C ATOM 525 O GLY A 35 -13.410 -13.269 -3.932 1.00 11.05 O ATOM 0 H GLY A 35 -17.317 -12.363 -4.604 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -15.517 -13.475 -5.419 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -14.854 -11.981 -6.050 1.00 3.53 H new ATOM 529 N GLN A 36 -14.423 -11.418 -3.130 1.00 72.42 N ATOM 530 CA GLN A 36 -13.581 -11.302 -1.940 1.00 74.31 C ATOM 531 C GLN A 36 -14.018 -12.328 -0.902 1.00 21.04 C ATOM 532 O GLN A 36 -15.014 -13.017 -1.100 1.00 51.11 O ATOM 533 CB GLN A 36 -13.660 -9.880 -1.363 1.00 41.20 C ATOM 534 CG GLN A 36 -13.217 -8.794 -2.339 1.00 14.33 C ATOM 535 CD GLN A 36 -11.797 -8.995 -2.839 1.00 24.11 C ATOM 536 OE1 GLN A 36 -11.569 -9.640 -3.863 1.00 61.54 O ATOM 537 NE2 GLN A 36 -10.832 -8.460 -2.111 1.00 51.11 N ATOM 0 H GLN A 36 -15.122 -10.680 -3.215 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.545 -11.498 -2.216 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.686 -9.680 -1.053 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -13.040 -9.826 -0.468 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -13.898 -8.777 -3.190 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -13.292 -7.822 -1.852 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -11.061 -7.932 -1.269 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -9.858 -8.575 -2.392 1.00 51.11 H new ATOM 546 N TYR A 37 -13.277 -12.444 0.195 1.00 44.03 N ATOM 547 CA TYR A 37 -13.561 -13.477 1.187 1.00 31.33 C ATOM 548 C TYR A 37 -13.981 -12.908 2.528 1.00 72.14 C ATOM 549 O TYR A 37 -13.467 -11.884 2.981 1.00 73.10 O ATOM 550 CB TYR A 37 -12.358 -14.408 1.355 1.00 65.43 C ATOM 551 CG TYR A 37 -12.277 -15.416 0.236 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.344 -16.273 0.015 1.00 60.30 C ATOM 553 CD2 TYR A 37 -11.177 -15.497 -0.608 1.00 24.31 C ATOM 554 CE1 TYR A 37 -13.318 -17.192 -1.015 1.00 72.34 C ATOM 555 CE2 TYR A 37 -11.145 -16.409 -1.644 1.00 24.44 C ATOM 556 CZ TYR A 37 -12.216 -17.254 -1.842 1.00 11.32 C ATOM 557 OH TYR A 37 -12.182 -18.160 -2.872 1.00 0.35 O ATOM 0 H TYR A 37 -12.484 -11.843 0.419 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.408 -14.048 0.808 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.442 -13.818 1.382 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.430 -14.928 2.310 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -14.210 -16.221 0.659 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -10.336 -14.838 -0.452 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -14.154 -17.857 -1.172 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -10.285 -16.460 -2.296 1.00 24.44 H new ATOM 0 HH TYR A 37 -11.336 -18.071 -3.358 1.00 0.35 H new ATOM 567 N SER A 38 -14.931 -13.602 3.146 1.00 71.15 N ATOM 568 CA SER A 38 -15.409 -13.278 4.476 1.00 73.51 C ATOM 569 C SER A 38 -15.582 -14.565 5.289 1.00 12.10 C ATOM 570 O SER A 38 -15.293 -15.654 4.788 1.00 11.10 O ATOM 571 CB SER A 38 -16.733 -12.508 4.384 1.00 52.44 C ATOM 572 OG SER A 38 -16.580 -11.307 3.638 1.00 71.45 O ATOM 0 H SER A 38 -15.392 -14.411 2.730 1.00 71.15 H new ATOM 0 HA SER A 38 -14.680 -12.644 4.980 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.490 -13.136 3.915 1.00 52.44 H new ATOM 0 HB3 SER A 38 -17.090 -12.273 5.387 1.00 52.44 H new ATOM 0 HG SER A 38 -17.439 -10.838 3.594 1.00 71.45 H new ATOM 578 N VAL A 39 -16.028 -14.448 6.539 1.00 63.03 N ATOM 579 CA VAL A 39 -16.271 -15.622 7.384 1.00 5.30 C ATOM 580 C VAL A 39 -17.678 -15.584 7.983 1.00 14.12 C ATOM 581 O VAL A 39 -18.225 -14.510 8.240 1.00 3.12 O ATOM 582 CB VAL A 39 -15.211 -15.759 8.505 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.845 -16.099 7.907 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.136 -14.484 9.349 1.00 24.42 C ATOM 0 H VAL A 39 -16.229 -13.556 6.990 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.188 -16.499 6.742 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.512 -16.575 9.162 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.111 -16.192 8.707 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -13.910 -17.041 7.363 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.539 -15.306 7.224 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.384 -14.607 10.129 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -14.864 -13.642 8.713 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.106 -14.294 9.808 1.00 24.42 H new ATOM 594 N TRP A 40 -18.257 -16.760 8.204 1.00 31.10 N ATOM 595 CA TRP A 40 -19.670 -16.882 8.568 1.00 74.31 C ATOM 596 C TRP A 40 -19.883 -18.028 9.550 1.00 25.31 C ATOM 597 O TRP A 40 -19.417 -19.143 9.319 1.00 1.51 O ATOM 598 CB TRP A 40 -20.467 -17.108 7.284 1.00 25.04 C ATOM 599 CG TRP A 40 -21.927 -17.413 7.441 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.930 -16.533 7.729 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.553 -18.687 7.259 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.139 -17.187 7.747 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.932 -18.504 7.454 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.082 -19.969 6.950 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.840 -19.541 7.345 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -22.992 -21.004 6.849 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.360 -20.780 7.042 1.00 71.21 C ATOM 0 H TRP A 40 -17.766 -17.652 8.137 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.008 -15.972 9.063 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.371 -16.218 6.663 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.005 -17.930 6.737 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.794 -15.478 7.915 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.043 -16.758 7.947 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.028 -20.145 6.794 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.896 -19.374 7.495 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -22.643 -22.000 6.618 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.049 -21.606 6.949 1.00 71.21 H new ATOM 618 N MET A 41 -20.585 -17.740 10.644 1.00 15.53 N ATOM 619 CA MET A 41 -20.831 -18.730 11.691 1.00 1.22 C ATOM 620 C MET A 41 -21.797 -19.807 11.193 1.00 72.33 C ATOM 621 O MET A 41 -22.732 -19.515 10.446 1.00 71.32 O ATOM 622 CB MET A 41 -21.394 -18.046 12.948 1.00 42.31 C ATOM 623 CG MET A 41 -21.526 -18.975 14.154 1.00 31.15 C ATOM 624 SD MET A 41 -22.320 -18.182 15.569 1.00 32.11 S ATOM 625 CE MET A 41 -21.188 -16.832 15.899 1.00 73.30 C ATOM 0 H MET A 41 -20.995 -16.825 10.829 1.00 15.53 H new ATOM 0 HA MET A 41 -19.885 -19.207 11.947 1.00 1.22 H new ATOM 0 HB2 MET A 41 -20.747 -17.210 13.215 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.374 -17.629 12.714 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.102 -19.855 13.867 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.536 -19.324 14.448 1.00 31.15 H new ATOM 0 HE1 MET A 41 -21.391 -16.420 16.888 1.00 73.30 H new ATOM 0 HE2 MET A 41 -20.163 -17.200 15.863 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.321 -16.054 15.147 1.00 73.30 H new ATOM 635 N ASP A 42 -21.565 -21.042 11.619 1.00 51.30 N ATOM 636 CA ASP A 42 -22.385 -22.178 11.209 1.00 11.42 C ATOM 637 C ASP A 42 -23.779 -22.092 11.836 1.00 34.45 C ATOM 638 O ASP A 42 -24.136 -21.089 12.460 1.00 34.15 O ATOM 639 CB ASP A 42 -21.710 -23.492 11.627 1.00 70.44 C ATOM 640 CG ASP A 42 -21.769 -23.725 13.131 1.00 62.11 C ATOM 641 OD1 ASP A 42 -21.037 -23.046 13.876 1.00 62.33 O ATOM 642 OD2 ASP A 42 -22.563 -24.579 13.576 1.00 14.52 O ATOM 0 H ASP A 42 -20.806 -21.285 12.256 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.487 -22.154 10.124 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -22.193 -24.324 11.114 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.669 -23.480 11.305 1.00 70.44 H new ATOM 647 N GLY A 43 -24.563 -23.148 11.662 1.00 43.50 N ATOM 648 CA GLY A 43 -25.887 -23.211 12.264 1.00 3.14 C ATOM 649 C GLY A 43 -26.970 -22.655 11.362 1.00 31.24 C ATOM 650 O GLY A 43 -28.100 -23.144 11.371 1.00 3.04 O ATOM 0 H GLY A 43 -24.307 -23.968 11.112 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -26.121 -24.247 12.508 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.881 -22.656 13.202 1.00 3.14 H new ATOM 654 N ARG A 44 -26.636 -21.627 10.584 1.00 4.12 N ATOM 655 CA ARG A 44 -27.604 -21.010 9.682 1.00 32.44 C ATOM 656 C ARG A 44 -27.469 -21.594 8.276 1.00 64.22 C ATOM 657 O ARG A 44 -26.751 -22.571 8.060 1.00 52.23 O ATOM 658 CB ARG A 44 -27.410 -19.484 9.623 1.00 0.23 C ATOM 659 CG ARG A 44 -27.460 -18.765 10.964 1.00 25.34 C ATOM 660 CD ARG A 44 -26.068 -18.576 11.558 1.00 30.41 C ATOM 661 NE ARG A 44 -26.081 -17.683 12.719 1.00 65.32 N ATOM 662 CZ ARG A 44 -25.396 -17.892 13.846 1.00 41.11 C ATOM 663 NH1 ARG A 44 -24.703 -19.011 14.021 1.00 33.33 N ATOM 664 NH2 ARG A 44 -25.411 -16.974 14.797 1.00 23.54 N ATOM 0 H ARG A 44 -25.707 -21.206 10.560 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.601 -21.222 10.069 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -26.448 -19.275 9.154 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -28.179 -19.062 8.975 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -27.936 -17.793 10.837 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -28.077 -19.334 11.659 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.665 -19.545 11.851 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.401 -18.171 10.797 1.00 30.41 H new ATOM 0 HE ARG A 44 -26.654 -16.841 12.663 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -24.690 -19.722 13.290 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -24.184 -19.159 14.886 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -25.943 -16.114 14.667 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -24.890 -17.126 15.661 1.00 23.54 H new ATOM 678 N SER A 45 -28.166 -20.979 7.330 1.00 20.53 N ATOM 679 CA SER A 45 -28.063 -21.326 5.918 1.00 5.15 C ATOM 680 C SER A 45 -27.969 -20.051 5.102 1.00 72.32 C ATOM 681 O SER A 45 -28.885 -19.227 5.117 1.00 4.10 O ATOM 682 CB SER A 45 -29.278 -22.162 5.484 1.00 43.33 C ATOM 683 OG SER A 45 -30.494 -21.485 5.780 1.00 24.12 O ATOM 0 H SER A 45 -28.822 -20.222 7.521 1.00 20.53 H new ATOM 0 HA SER A 45 -27.168 -21.925 5.752 1.00 5.15 H new ATOM 0 HB2 SER A 45 -29.221 -22.365 4.414 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.261 -23.126 5.992 1.00 43.33 H new ATOM 0 HG SER A 45 -30.368 -20.520 5.662 1.00 24.12 H new ATOM 689 N LEU A 46 -26.853 -19.881 4.416 1.00 30.11 N ATOM 690 CA LEU A 46 -26.606 -18.679 3.649 1.00 41.30 C ATOM 691 C LEU A 46 -27.699 -18.444 2.604 1.00 52.25 C ATOM 692 O LEU A 46 -28.089 -19.358 1.875 1.00 65.25 O ATOM 693 CB LEU A 46 -25.239 -18.746 2.973 1.00 31.30 C ATOM 694 CG LEU A 46 -24.043 -18.330 3.844 1.00 40.51 C ATOM 695 CD1 LEU A 46 -22.736 -18.487 3.082 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.186 -16.887 4.325 1.00 11.43 C ATOM 0 H LEU A 46 -26.100 -20.568 4.376 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.618 -17.839 4.343 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.075 -19.766 2.627 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.260 -18.109 2.089 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.029 -18.988 4.713 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -21.905 -18.186 3.720 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -22.609 -19.529 2.788 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -22.756 -17.858 2.192 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.325 -16.621 4.939 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.238 -16.220 3.464 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.097 -16.789 4.916 1.00 11.43 H new ATOM 708 N PRO A 47 -28.211 -17.207 2.550 1.00 40.22 N ATOM 709 CA PRO A 47 -29.205 -16.778 1.555 1.00 35.22 C ATOM 710 C PRO A 47 -28.753 -17.038 0.114 1.00 3.22 C ATOM 711 O PRO A 47 -27.554 -17.174 -0.165 1.00 43.43 O ATOM 712 CB PRO A 47 -29.336 -15.266 1.799 1.00 55.23 C ATOM 713 CG PRO A 47 -28.858 -15.044 3.196 1.00 33.22 C ATOM 714 CD PRO A 47 -27.863 -16.134 3.493 1.00 72.34 C ATOM 0 HA PRO A 47 -30.139 -17.329 1.666 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -28.738 -14.700 1.085 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.369 -14.937 1.681 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -28.396 -14.062 3.295 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.690 -15.078 3.899 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.839 -15.790 3.345 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.939 -16.472 4.526 1.00 72.34 H new ATOM 722 N ALA A 48 -29.722 -17.100 -0.798 1.00 24.10 N ATOM 723 CA ALA A 48 -29.440 -17.303 -2.213 1.00 45.31 C ATOM 724 C ALA A 48 -28.572 -16.164 -2.743 1.00 10.30 C ATOM 725 O ALA A 48 -28.935 -14.989 -2.635 1.00 50.42 O ATOM 726 CB ALA A 48 -30.736 -17.407 -3.008 1.00 71.43 C ATOM 0 H ALA A 48 -30.714 -17.012 -0.578 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.895 -18.240 -2.330 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.505 -17.558 -4.062 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.322 -18.249 -2.640 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.310 -16.488 -2.891 1.00 71.43 H new ATOM 732 N GLY A 49 -27.423 -16.519 -3.303 1.00 61.20 N ATOM 733 CA GLY A 49 -26.455 -15.534 -3.742 1.00 60.31 C ATOM 734 C GLY A 49 -25.169 -15.644 -2.950 1.00 71.01 C ATOM 735 O GLY A 49 -24.086 -15.339 -3.455 1.00 13.20 O ATOM 0 H GLY A 49 -27.142 -17.486 -3.462 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.246 -15.673 -4.803 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.872 -14.533 -3.628 1.00 60.31 H new ATOM 739 N TRP A 50 -25.289 -16.099 -1.703 1.00 52.24 N ATOM 740 CA TRP A 50 -24.126 -16.325 -0.851 1.00 31.12 C ATOM 741 C TRP A 50 -23.549 -17.707 -1.123 1.00 32.34 C ATOM 742 O TRP A 50 -24.274 -18.627 -1.516 1.00 34.24 O ATOM 743 CB TRP A 50 -24.509 -16.205 0.628 1.00 51.44 C ATOM 744 CG TRP A 50 -24.905 -14.821 1.050 1.00 52.31 C ATOM 745 CD1 TRP A 50 -26.070 -14.173 0.758 1.00 43.21 C ATOM 746 CD2 TRP A 50 -24.134 -13.919 1.852 1.00 52.50 C ATOM 747 NE1 TRP A 50 -26.073 -12.926 1.335 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.893 -12.746 2.007 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.874 -13.991 2.452 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -24.435 -11.656 2.742 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -22.418 -12.907 3.179 1.00 43.03 C ATOM 752 CH2 TRP A 50 -23.198 -11.753 3.318 1.00 53.43 C ATOM 0 H TRP A 50 -26.182 -16.318 -1.262 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.376 -15.567 -1.078 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.335 -16.886 0.834 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.667 -16.532 1.238 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.872 -14.581 0.161 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.830 -12.245 1.273 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.267 -14.878 2.350 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -25.035 -10.765 2.854 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.445 -12.951 3.647 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -22.815 -10.922 3.892 1.00 53.43 H new ATOM 763 N GLU A 51 -22.249 -17.853 -0.915 1.00 31.52 N ATOM 764 CA GLU A 51 -21.571 -19.123 -1.137 1.00 65.54 C ATOM 765 C GLU A 51 -20.602 -19.408 0.005 1.00 44.41 C ATOM 766 O GLU A 51 -20.000 -18.479 0.580 1.00 23.22 O ATOM 767 CB GLU A 51 -20.823 -19.100 -2.476 1.00 21.21 C ATOM 768 CG GLU A 51 -19.640 -18.143 -2.484 1.00 31.04 C ATOM 769 CD GLU A 51 -19.121 -17.844 -3.881 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.709 -16.976 -4.566 1.00 2.31 O ATOM 771 OE2 GLU A 51 -18.112 -18.455 -4.293 1.00 74.23 O ATOM 0 H GLU A 51 -21.639 -17.103 -0.591 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.317 -19.917 -1.169 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.470 -20.106 -2.705 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.517 -18.817 -3.268 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.933 -17.209 -2.005 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.833 -18.568 -1.887 1.00 31.04 H new ATOM 778 N THR A 52 -20.476 -20.695 0.322 1.00 32.54 N ATOM 779 CA THR A 52 -19.586 -21.181 1.372 1.00 63.35 C ATOM 780 C THR A 52 -18.347 -21.820 0.756 1.00 21.15 C ATOM 781 O THR A 52 -18.425 -22.459 -0.298 1.00 10.23 O ATOM 782 CB THR A 52 -20.284 -22.227 2.282 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.845 -23.280 1.486 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.379 -21.592 3.133 1.00 41.04 C ATOM 0 H THR A 52 -20.995 -21.437 -0.148 1.00 32.54 H new ATOM 0 HA THR A 52 -19.307 -20.320 1.980 1.00 63.35 H new ATOM 0 HB THR A 52 -19.527 -22.636 2.952 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.281 -23.935 2.070 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.844 -22.356 3.756 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.944 -20.820 3.768 1.00 41.04 H new ATOM 0 HG23 THR A 52 -22.132 -21.146 2.483 1.00 41.04 H new ATOM 792 N VAL A 53 -17.217 -21.646 1.421 1.00 23.41 N ATOM 793 CA VAL A 53 -15.938 -22.177 0.968 1.00 22.34 C ATOM 794 C VAL A 53 -14.968 -22.307 2.141 1.00 44.25 C ATOM 795 O VAL A 53 -15.224 -21.809 3.254 1.00 74.21 O ATOM 796 CB VAL A 53 -15.287 -21.316 -0.166 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.661 -21.858 -1.547 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.680 -19.842 -0.064 1.00 31.43 C ATOM 0 H VAL A 53 -17.159 -21.128 2.298 1.00 23.41 H new ATOM 0 HA VAL A 53 -16.143 -23.161 0.547 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.207 -21.386 -0.035 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -15.196 -21.243 -2.317 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -15.309 -22.885 -1.642 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.744 -21.833 -1.667 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.206 -19.282 -0.870 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.763 -19.748 -0.145 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.352 -19.444 0.896 1.00 31.43 H new ATOM 808 N GLY A 54 -13.862 -23.000 1.889 1.00 3.04 N ATOM 809 CA GLY A 54 -12.861 -23.211 2.905 1.00 22.23 C ATOM 810 C GLY A 54 -13.166 -24.423 3.756 1.00 33.01 C ATOM 811 O GLY A 54 -13.771 -25.390 3.289 1.00 72.20 O ATOM 0 H GLY A 54 -13.645 -23.422 0.986 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.886 -23.335 2.434 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.798 -22.328 3.541 1.00 22.23 H new ATOM 815 N GLU A 55 -12.759 -24.353 5.008 1.00 4.43 N ATOM 816 CA GLU A 55 -12.912 -25.448 5.953 1.00 31.03 C ATOM 817 C GLU A 55 -13.487 -24.892 7.255 1.00 24.14 C ATOM 818 O GLU A 55 -13.017 -23.858 7.737 1.00 23.13 O ATOM 819 CB GLU A 55 -11.539 -26.085 6.198 1.00 24.22 C ATOM 820 CG GLU A 55 -11.528 -27.260 7.167 1.00 31.31 C ATOM 821 CD GLU A 55 -10.112 -27.647 7.563 1.00 15.13 C ATOM 822 OE1 GLU A 55 -9.397 -28.251 6.738 1.00 54.04 O ATOM 823 OE2 GLU A 55 -9.688 -27.301 8.685 1.00 72.41 O ATOM 0 H GLU A 55 -12.308 -23.528 5.404 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.588 -26.208 5.561 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -11.137 -26.421 5.242 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.863 -25.318 6.576 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -12.098 -27.001 8.059 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -12.024 -28.115 6.708 1.00 31.31 H new ATOM 830 N PRO A 56 -14.519 -25.538 7.831 1.00 15.13 N ATOM 831 CA PRO A 56 -15.182 -25.022 9.031 1.00 1.52 C ATOM 832 C PRO A 56 -14.285 -25.136 10.263 1.00 72.40 C ATOM 833 O PRO A 56 -13.790 -26.220 10.587 1.00 53.12 O ATOM 834 CB PRO A 56 -16.428 -25.909 9.151 1.00 31.21 C ATOM 835 CG PRO A 56 -16.029 -27.197 8.521 1.00 3.01 C ATOM 836 CD PRO A 56 -15.109 -26.823 7.388 1.00 64.45 C ATOM 0 HA PRO A 56 -15.422 -23.961 8.962 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.717 -26.049 10.193 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.282 -25.465 8.640 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.525 -27.845 9.238 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.900 -27.742 8.156 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -14.343 -27.581 7.226 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.652 -26.713 6.450 1.00 64.45 H new ATOM 844 N ALA A 57 -14.081 -24.013 10.947 1.00 33.55 N ATOM 845 CA ALA A 57 -13.157 -23.953 12.083 1.00 55.44 C ATOM 846 C ALA A 57 -13.513 -22.793 13.006 1.00 31.23 C ATOM 847 O ALA A 57 -14.422 -22.026 12.713 1.00 52.10 O ATOM 848 CB ALA A 57 -11.718 -23.819 11.592 1.00 52.45 C ATOM 0 H ALA A 57 -14.543 -23.129 10.736 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.248 -24.881 12.648 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.044 -23.776 12.448 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.463 -24.679 10.973 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.618 -22.906 11.005 1.00 52.45 H new ATOM 854 N THR A 58 -12.808 -22.679 14.126 1.00 61.34 N ATOM 855 CA THR A 58 -13.033 -21.573 15.046 1.00 41.54 C ATOM 856 C THR A 58 -12.704 -20.246 14.364 1.00 53.23 C ATOM 857 O THR A 58 -11.856 -20.193 13.465 1.00 72.34 O ATOM 858 CB THR A 58 -12.194 -21.721 16.341 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.432 -20.608 17.213 1.00 12.31 O ATOM 860 CG2 THR A 58 -10.703 -21.814 16.037 1.00 4.31 C ATOM 0 H THR A 58 -12.082 -23.334 14.416 1.00 61.34 H new ATOM 0 HA THR A 58 -14.086 -21.589 15.327 1.00 41.54 H new ATOM 0 HB THR A 58 -12.503 -22.646 16.828 1.00 32.00 H new ATOM 0 HG1 THR A 58 -11.899 -20.712 18.029 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.147 -21.917 16.969 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.514 -22.681 15.404 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.380 -20.910 15.520 1.00 4.31 H new ATOM 868 N LYS A 59 -13.377 -19.184 14.801 1.00 20.01 N ATOM 869 CA LYS A 59 -13.209 -17.843 14.234 1.00 44.32 C ATOM 870 C LYS A 59 -11.732 -17.507 14.026 1.00 75.31 C ATOM 871 O LYS A 59 -11.347 -16.977 12.981 1.00 55.41 O ATOM 872 CB LYS A 59 -13.868 -16.810 15.162 1.00 22.43 C ATOM 873 CG LYS A 59 -13.623 -15.350 14.777 1.00 75.31 C ATOM 874 CD LYS A 59 -14.190 -15.005 13.403 1.00 22.03 C ATOM 875 CE LYS A 59 -13.981 -13.531 13.062 1.00 60.14 C ATOM 876 NZ LYS A 59 -14.726 -12.632 13.984 1.00 44.44 N ATOM 0 H LYS A 59 -14.057 -19.227 15.560 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.692 -17.817 13.257 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.943 -16.991 15.178 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.503 -16.969 16.177 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.074 -14.699 15.526 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.551 -15.150 14.785 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -13.712 -15.626 12.645 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.255 -15.237 13.380 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -12.918 -13.296 13.108 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -14.304 -13.347 12.037 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -14.725 -11.665 13.602 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -15.707 -12.966 14.077 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -14.268 -12.636 14.918 1.00 44.44 H new ATOM 890 N GLN A 60 -10.918 -17.845 15.017 1.00 12.52 N ATOM 891 CA GLN A 60 -9.486 -17.556 14.990 1.00 60.11 C ATOM 892 C GLN A 60 -8.808 -18.221 13.790 1.00 73.42 C ATOM 893 O GLN A 60 -7.978 -17.606 13.119 1.00 12.21 O ATOM 894 CB GLN A 60 -8.816 -18.010 16.300 1.00 71.20 C ATOM 895 CG GLN A 60 -9.181 -17.166 17.524 1.00 21.32 C ATOM 896 CD GLN A 60 -10.673 -17.165 17.834 1.00 4.32 C ATOM 897 OE1 GLN A 60 -11.419 -16.320 17.343 1.00 72.30 O ATOM 898 NE2 GLN A 60 -11.115 -18.113 18.649 1.00 42.31 N ATOM 0 H GLN A 60 -11.228 -18.326 15.861 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.367 -16.477 14.891 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.091 -19.047 16.494 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -7.734 -17.987 16.167 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -8.637 -17.542 18.391 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -8.850 -16.140 17.361 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -10.465 -18.797 19.036 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -12.105 -18.159 18.888 1.00 42.31 H new ATOM 907 N GLN A 61 -9.170 -19.470 13.514 1.00 11.51 N ATOM 908 CA GLN A 61 -8.573 -20.212 12.403 1.00 25.23 C ATOM 909 C GLN A 61 -9.121 -19.729 11.060 1.00 25.12 C ATOM 910 O GLN A 61 -8.394 -19.669 10.068 1.00 72.45 O ATOM 911 CB GLN A 61 -8.813 -21.720 12.570 1.00 32.13 C ATOM 912 CG GLN A 61 -8.023 -22.345 13.719 1.00 4.10 C ATOM 913 CD GLN A 61 -6.519 -22.264 13.510 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.036 -22.297 12.379 1.00 3.32 O ATOM 915 NE2 GLN A 61 -5.770 -22.156 14.597 1.00 15.31 N ATOM 0 H GLN A 61 -9.871 -19.990 14.041 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.499 -20.027 12.415 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -9.876 -21.893 12.736 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.548 -22.226 11.642 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.284 -21.841 14.650 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.315 -23.389 13.829 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.208 -22.132 15.518 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -4.755 -22.097 14.513 1.00 15.31 H new ATOM 924 N CYS A 62 -10.403 -19.387 11.036 1.00 12.43 N ATOM 925 CA CYS A 62 -11.060 -18.936 9.815 1.00 63.15 C ATOM 926 C CYS A 62 -10.469 -17.609 9.326 1.00 45.14 C ATOM 927 O CYS A 62 -10.187 -17.452 8.134 1.00 24.33 O ATOM 928 CB CYS A 62 -12.564 -18.812 10.055 1.00 43.44 C ATOM 929 SG CYS A 62 -13.326 -20.344 10.633 1.00 5.43 S ATOM 0 H CYS A 62 -11.012 -19.414 11.854 1.00 12.43 H new ATOM 0 HA CYS A 62 -10.888 -19.675 9.032 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -12.744 -18.026 10.788 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.048 -18.501 9.129 1.00 43.44 H new ATOM 0 HG CYS A 62 -12.967 -20.570 11.862 1.00 5.43 H new ATOM 935 N LEU A 63 -10.265 -16.659 10.247 1.00 32.10 N ATOM 936 CA LEU A 63 -9.668 -15.371 9.883 1.00 54.21 C ATOM 937 C LEU A 63 -8.207 -15.573 9.485 1.00 45.12 C ATOM 938 O LEU A 63 -7.741 -15.008 8.497 1.00 0.30 O ATOM 939 CB LEU A 63 -9.809 -14.335 11.025 1.00 51.43 C ATOM 940 CG LEU A 63 -9.219 -14.718 12.399 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.733 -14.372 12.495 1.00 32.23 C ATOM 942 CD2 LEU A 63 -9.994 -14.044 13.528 1.00 43.32 C ATOM 0 H LEU A 63 -10.501 -16.756 11.235 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.209 -14.967 9.027 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.337 -13.408 10.701 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -10.870 -14.122 11.160 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.316 -15.799 12.502 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.356 -14.657 13.477 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.183 -14.912 11.724 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.599 -13.300 12.352 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.561 -14.328 14.487 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -9.939 -12.962 13.411 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.037 -14.360 13.493 1.00 43.32 H new ATOM 954 N GLN A 64 -7.510 -16.414 10.246 1.00 23.35 N ATOM 955 CA GLN A 64 -6.114 -16.746 9.968 1.00 61.05 C ATOM 956 C GLN A 64 -5.980 -17.368 8.579 1.00 42.03 C ATOM 957 O GLN A 64 -5.027 -17.104 7.846 1.00 43.03 O ATOM 958 CB GLN A 64 -5.598 -17.721 11.040 1.00 61.12 C ATOM 959 CG GLN A 64 -4.174 -18.218 10.813 1.00 33.54 C ATOM 960 CD GLN A 64 -3.759 -19.276 11.824 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.200 -18.969 12.879 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.037 -20.533 11.512 1.00 60.21 N ATOM 0 H GLN A 64 -7.893 -16.882 11.067 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.518 -15.834 9.993 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -5.647 -17.231 12.012 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.267 -18.581 11.082 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.092 -18.629 9.807 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.485 -17.375 10.870 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.501 -20.749 10.629 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -3.787 -21.285 12.154 1.00 60.21 H new ATOM 971 N ARG A 65 -6.967 -18.173 8.218 1.00 40.34 N ATOM 972 CA ARG A 65 -6.928 -18.940 6.982 1.00 13.52 C ATOM 973 C ARG A 65 -6.926 -18.020 5.762 1.00 14.24 C ATOM 974 O ARG A 65 -6.123 -18.199 4.849 1.00 44.41 O ATOM 975 CB ARG A 65 -8.121 -19.905 6.947 1.00 2.22 C ATOM 976 CG ARG A 65 -7.940 -21.093 6.009 1.00 23.32 C ATOM 977 CD ARG A 65 -8.863 -22.243 6.397 1.00 54.45 C ATOM 978 NE ARG A 65 -8.384 -23.537 5.902 1.00 65.22 N ATOM 979 CZ ARG A 65 -8.530 -24.687 6.569 1.00 14.34 C ATOM 980 NH1 ARG A 65 -9.082 -24.689 7.778 1.00 74.43 N ATOM 981 NH2 ARG A 65 -8.114 -25.833 6.042 1.00 73.25 N ATOM 0 H ARG A 65 -7.813 -18.313 8.770 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.003 -19.516 6.950 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.302 -20.277 7.955 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.011 -19.353 6.647 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.147 -20.786 4.984 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -6.903 -21.429 6.038 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -8.952 -22.283 7.483 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -9.861 -22.053 6.002 1.00 54.45 H new ATOM 0 HE ARG A 65 -7.913 -23.562 4.998 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -9.394 -23.813 8.197 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -9.193 -25.566 8.286 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -7.678 -25.842 5.120 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -8.230 -26.704 6.559 1.00 73.25 H new ATOM 995 N ILE A 66 -7.818 -17.031 5.757 1.00 5.32 N ATOM 996 CA ILE A 66 -7.915 -16.098 4.634 1.00 74.32 C ATOM 997 C ILE A 66 -6.756 -15.097 4.630 1.00 34.13 C ATOM 998 O ILE A 66 -6.265 -14.702 3.564 1.00 70.50 O ATOM 999 CB ILE A 66 -9.268 -15.332 4.625 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.542 -14.666 5.986 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.410 -16.275 4.246 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.816 -13.847 6.020 1.00 42.21 C ATOM 0 H ILE A 66 -8.480 -16.855 6.512 1.00 5.32 H new ATOM 0 HA ILE A 66 -7.859 -16.704 3.730 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.204 -14.542 3.876 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.597 -15.438 6.753 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.700 -14.022 6.241 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.351 -15.725 4.244 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.228 -16.686 3.253 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.467 -17.087 4.970 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -10.941 -13.409 7.010 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.757 -13.052 5.277 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.668 -14.490 5.797 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.310 -14.701 5.818 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.221 -13.732 5.945 1.00 71.01 C ATOM 1016 C GLU A 67 -3.917 -14.300 5.390 1.00 51.43 C ATOM 1017 O GLU A 67 -3.252 -13.660 4.575 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.045 -13.310 7.409 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.191 -12.458 7.947 1.00 14.42 C ATOM 1020 CD GLU A 67 -6.155 -11.027 7.434 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.595 -10.785 6.291 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -5.693 -10.134 8.176 1.00 43.23 O ATOM 0 H GLU A 67 -6.684 -15.034 6.707 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.482 -12.850 5.359 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -4.949 -14.204 8.026 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.113 -12.753 7.507 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.140 -12.915 7.667 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.151 -12.449 9.036 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.581 -15.523 5.797 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.348 -16.185 5.351 1.00 35.25 C ATOM 1031 C GLN A 68 -2.424 -16.586 3.873 1.00 3.20 C ATOM 1032 O GLN A 68 -1.557 -17.305 3.361 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.059 -17.406 6.237 1.00 75.11 C ATOM 1034 CG GLN A 68 -1.909 -17.048 7.712 1.00 72.43 C ATOM 1035 CD GLN A 68 -0.641 -16.264 8.016 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.061 -15.613 7.143 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -0.231 -16.274 9.271 1.00 13.54 N ATOM 0 H GLN A 68 -4.146 -16.081 6.438 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.527 -15.475 5.449 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -2.867 -18.129 6.124 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.146 -17.891 5.892 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -2.773 -16.463 8.026 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -1.912 -17.964 8.303 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -0.734 -16.824 9.968 1.00 13.54 H new ATOM 0 HE22 GLN A 68 0.589 -15.732 9.544 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.475 -16.133 3.199 1.00 70.13 N ATOM 1047 CA LEU A 69 -3.618 -16.285 1.752 1.00 22.31 C ATOM 1048 C LEU A 69 -3.313 -14.961 1.049 1.00 33.43 C ATOM 1049 O LEU A 69 -2.327 -14.834 0.322 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.031 -16.765 1.383 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.394 -18.181 1.861 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -6.833 -18.524 1.488 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.434 -19.213 1.276 1.00 42.22 C ATOM 0 H LEU A 69 -4.256 -15.648 3.641 1.00 70.13 H new ATOM 0 HA LEU A 69 -2.905 -17.039 1.419 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -5.754 -16.063 1.798 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.137 -16.728 0.299 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.304 -18.204 2.947 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.069 -19.530 1.835 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.510 -17.810 1.956 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -6.949 -18.478 0.405 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.710 -20.207 1.628 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.489 -19.185 0.188 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.417 -18.985 1.594 1.00 42.22 H new ATOM 1065 N TRP A 70 -4.173 -13.971 1.295 1.00 4.00 N ATOM 1066 CA TRP A 70 -4.077 -12.668 0.633 1.00 33.32 C ATOM 1067 C TRP A 70 -3.072 -11.770 1.353 1.00 14.11 C ATOM 1068 O TRP A 70 -2.125 -11.258 0.748 1.00 5.44 O ATOM 1069 CB TRP A 70 -5.451 -11.984 0.618 1.00 44.12 C ATOM 1070 CG TRP A 70 -6.524 -12.796 -0.048 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -7.199 -13.861 0.481 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.050 -12.603 -1.366 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -8.103 -14.346 -0.431 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -8.034 -13.589 -1.570 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -6.788 -11.691 -2.392 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.749 -13.691 -2.757 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -7.500 -11.794 -3.571 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.473 -12.787 -3.744 1.00 22.44 C ATOM 0 H TRP A 70 -4.949 -14.048 1.952 1.00 4.00 H new ATOM 0 HA TRP A 70 -3.738 -12.829 -0.390 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -5.752 -11.772 1.644 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -5.364 -11.025 0.107 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -7.044 -14.262 1.472 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -8.725 -15.141 -0.284 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -6.043 -10.920 -2.265 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -9.497 -14.458 -2.895 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -7.303 -11.098 -4.373 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -9.016 -12.839 -4.676 1.00 22.44 H new ATOM 1089 N THR A 71 -3.290 -11.597 2.652 1.00 54.12 N ATOM 1090 CA THR A 71 -2.440 -10.770 3.497 1.00 14.01 C ATOM 1091 C THR A 71 -1.089 -11.453 3.741 1.00 15.51 C ATOM 1092 O THR A 71 -0.153 -10.835 4.260 1.00 20.13 O ATOM 1093 CB THR A 71 -3.155 -10.458 4.832 1.00 13.44 C ATOM 1094 OG1 THR A 71 -4.475 -9.971 4.552 1.00 21.02 O ATOM 1095 CG2 THR A 71 -2.402 -9.412 5.652 1.00 55.35 C ATOM 0 H THR A 71 -4.067 -12.030 3.151 1.00 54.12 H new ATOM 0 HA THR A 71 -2.248 -9.828 2.984 1.00 14.01 H new ATOM 0 HB THR A 71 -3.194 -11.378 5.416 1.00 13.44 H new ATOM 0 HG1 THR A 71 -5.102 -10.324 5.217 1.00 21.02 H new ATOM 0 HG21 THR A 71 -2.939 -9.223 6.582 1.00 55.35 H new ATOM 0 HG22 THR A 71 -1.401 -9.779 5.879 1.00 55.35 H new ATOM 0 HG23 THR A 71 -2.328 -8.486 5.081 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.011 -12.735 3.359 1.00 23.54 N ATOM 1104 CA ASP A 72 0.191 -13.561 3.535 1.00 73.31 C ATOM 1105 C ASP A 72 1.465 -12.792 3.199 1.00 64.32 C ATOM 1106 O ASP A 72 2.488 -12.934 3.876 1.00 42.51 O ATOM 1107 CB ASP A 72 0.121 -14.785 2.623 1.00 14.44 C ATOM 1108 CG ASP A 72 1.442 -15.544 2.538 1.00 72.24 C ATOM 1109 OD1 ASP A 72 1.792 -16.255 3.503 1.00 35.04 O ATOM 1110 OD2 ASP A 72 2.142 -15.427 1.504 1.00 33.45 O ATOM 0 H ASP A 72 -1.785 -13.231 2.917 1.00 23.54 H new ATOM 0 HA ASP A 72 0.223 -13.858 4.583 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -0.655 -15.458 2.987 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -0.175 -14.469 1.623 1.00 14.44 H new ATOM 1115 N MET A 73 1.393 -11.996 2.134 1.00 3.33 N ATOM 1116 CA MET A 73 2.502 -11.146 1.718 1.00 42.30 C ATOM 1117 C MET A 73 2.748 -10.074 2.778 1.00 21.21 C ATOM 1118 O MET A 73 2.343 -8.914 2.632 1.00 61.04 O ATOM 1119 CB MET A 73 2.200 -10.515 0.349 1.00 75.02 C ATOM 1120 CG MET A 73 2.052 -11.541 -0.766 1.00 60.21 C ATOM 1121 SD MET A 73 1.416 -10.834 -2.303 1.00 34.12 S ATOM 1122 CE MET A 73 2.660 -9.596 -2.665 1.00 71.41 C ATOM 0 H MET A 73 0.568 -11.923 1.539 1.00 3.33 H new ATOM 0 HA MET A 73 3.406 -11.747 1.617 1.00 42.30 H new ATOM 0 HB2 MET A 73 1.283 -9.931 0.420 1.00 75.02 H new ATOM 0 HB3 MET A 73 3.000 -9.821 0.092 1.00 75.02 H new ATOM 0 HG2 MET A 73 3.021 -12.001 -0.959 1.00 60.21 H new ATOM 0 HG3 MET A 73 1.383 -12.335 -0.434 1.00 60.21 H new ATOM 0 HE1 MET A 73 2.522 -9.228 -3.682 1.00 71.41 H new ATOM 0 HE2 MET A 73 2.564 -8.768 -1.963 1.00 71.41 H new ATOM 0 HE3 MET A 73 3.652 -10.038 -2.571 1.00 71.41 H new ATOM 1132 N VAL A 74 3.383 -10.494 3.862 1.00 33.41 N ATOM 1133 CA VAL A 74 3.606 -9.651 5.025 1.00 45.22 C ATOM 1134 C VAL A 74 4.983 -8.983 4.957 1.00 1.21 C ATOM 1135 O VAL A 74 5.980 -9.634 4.629 1.00 54.40 O ATOM 1136 CB VAL A 74 3.466 -10.482 6.332 1.00 10.10 C ATOM 1137 CG1 VAL A 74 4.367 -11.716 6.297 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.751 -9.630 7.568 1.00 71.12 C ATOM 0 H VAL A 74 3.760 -11.437 3.959 1.00 33.41 H new ATOM 0 HA VAL A 74 2.849 -8.867 5.030 1.00 45.22 H new ATOM 0 HB VAL A 74 2.432 -10.822 6.397 1.00 10.10 H new ATOM 0 HG11 VAL A 74 4.249 -12.279 7.223 1.00 23.42 H new ATOM 0 HG12 VAL A 74 4.089 -12.346 5.452 1.00 23.42 H new ATOM 0 HG13 VAL A 74 5.406 -11.405 6.191 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.644 -10.242 8.464 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.767 -9.239 7.514 1.00 71.12 H new ATOM 0 HG23 VAL A 74 3.045 -8.800 7.609 1.00 71.12 H new ATOM 1148 N PRO A 75 5.052 -7.663 5.228 1.00 55.42 N ATOM 1149 CA PRO A 75 6.320 -6.921 5.262 1.00 60.35 C ATOM 1150 C PRO A 75 7.161 -7.279 6.495 1.00 72.13 C ATOM 1151 O PRO A 75 6.874 -8.261 7.193 1.00 1.32 O ATOM 1152 CB PRO A 75 5.881 -5.440 5.303 1.00 71.04 C ATOM 1153 CG PRO A 75 4.407 -5.443 5.042 1.00 45.31 C ATOM 1154 CD PRO A 75 3.908 -6.780 5.507 1.00 22.00 C ATOM 0 HA PRO A 75 6.955 -7.154 4.407 1.00 60.35 H new ATOM 0 HB2 PRO A 75 6.106 -4.992 6.271 1.00 71.04 H new ATOM 0 HB3 PRO A 75 6.410 -4.855 4.551 1.00 71.04 H new ATOM 0 HG2 PRO A 75 3.914 -4.634 5.580 1.00 45.31 H new ATOM 0 HG3 PRO A 75 4.198 -5.295 3.982 1.00 45.31 H new ATOM 0 HD2 PRO A 75 3.651 -6.771 6.566 1.00 22.00 H new ATOM 0 HD3 PRO A 75 3.015 -7.090 4.965 1.00 22.00 H new ATOM 1162 N ALA A 76 8.187 -6.468 6.767 1.00 51.25 N ATOM 1163 CA ALA A 76 9.100 -6.696 7.893 1.00 24.45 C ATOM 1164 C ALA A 76 8.348 -6.808 9.222 1.00 43.13 C ATOM 1165 O ALA A 76 8.885 -7.315 10.211 1.00 43.44 O ATOM 1166 CB ALA A 76 10.141 -5.583 7.960 1.00 60.32 C ATOM 0 H ALA A 76 8.408 -5.638 6.216 1.00 51.25 H new ATOM 0 HA ALA A 76 9.605 -7.647 7.724 1.00 24.45 H new ATOM 0 HB1 ALA A 76 10.813 -5.763 8.799 1.00 60.32 H new ATOM 0 HB2 ALA A 76 10.715 -5.565 7.033 1.00 60.32 H new ATOM 0 HB3 ALA A 76 9.640 -4.624 8.095 1.00 60.32 H new ATOM 1172 N SER A 77 7.104 -6.331 9.228 1.00 71.53 N ATOM 1173 CA SER A 77 6.214 -6.437 10.383 1.00 24.45 C ATOM 1174 C SER A 77 6.157 -7.872 10.926 1.00 52.41 C ATOM 1175 O SER A 77 5.903 -8.083 12.113 1.00 1.13 O ATOM 1176 CB SER A 77 4.805 -5.968 9.989 1.00 43.23 C ATOM 1177 OG SER A 77 3.889 -6.099 11.064 1.00 75.44 O ATOM 0 H SER A 77 6.683 -5.858 8.428 1.00 71.53 H new ATOM 0 HA SER A 77 6.609 -5.801 11.175 1.00 24.45 H new ATOM 0 HB2 SER A 77 4.844 -4.927 9.669 1.00 43.23 H new ATOM 0 HB3 SER A 77 4.453 -6.550 9.137 1.00 43.23 H new ATOM 0 HG SER A 77 4.076 -5.413 11.739 1.00 75.44 H new ATOM 1183 N VAL A 78 6.398 -8.850 10.053 1.00 50.43 N ATOM 1184 CA VAL A 78 6.375 -10.264 10.434 1.00 1.34 C ATOM 1185 C VAL A 78 7.322 -10.539 11.607 1.00 72.15 C ATOM 1186 O VAL A 78 7.058 -11.405 12.447 1.00 61.33 O ATOM 1187 CB VAL A 78 6.750 -11.171 9.229 1.00 12.41 C ATOM 1188 CG1 VAL A 78 8.159 -10.861 8.720 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.611 -12.650 9.591 1.00 22.14 C ATOM 0 H VAL A 78 6.613 -8.688 9.069 1.00 50.43 H new ATOM 0 HA VAL A 78 5.358 -10.499 10.748 1.00 1.34 H new ATOM 0 HB VAL A 78 6.050 -10.956 8.422 1.00 12.41 H new ATOM 0 HG11 VAL A 78 8.393 -11.511 7.877 1.00 13.13 H new ATOM 0 HG12 VAL A 78 8.210 -9.820 8.400 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.880 -11.030 9.520 1.00 13.13 H new ATOM 0 HG21 VAL A 78 6.879 -13.262 8.730 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.274 -12.885 10.424 1.00 22.14 H new ATOM 0 HG23 VAL A 78 5.580 -12.859 9.878 1.00 22.14 H new ATOM 1199 N ARG A 79 8.408 -9.770 11.678 1.00 61.45 N ATOM 1200 CA ARG A 79 9.415 -9.944 12.722 1.00 14.22 C ATOM 1201 C ARG A 79 8.824 -9.664 14.099 1.00 51.30 C ATOM 1202 O ARG A 79 9.224 -10.276 15.084 1.00 43.03 O ATOM 1203 CB ARG A 79 10.612 -9.023 12.475 1.00 63.44 C ATOM 1204 CG ARG A 79 11.276 -9.230 11.120 1.00 63.40 C ATOM 1205 CD ARG A 79 12.458 -8.291 10.923 1.00 74.44 C ATOM 1206 NE ARG A 79 12.081 -6.881 11.076 1.00 53.13 N ATOM 1207 CZ ARG A 79 12.856 -5.858 10.711 1.00 42.11 C ATOM 1208 NH1 ARG A 79 14.031 -6.079 10.135 1.00 73.33 N ATOM 1209 NH2 ARG A 79 12.458 -4.610 10.925 1.00 64.44 N ATOM 0 H ARG A 79 8.613 -9.017 11.021 1.00 61.45 H new ATOM 0 HA ARG A 79 9.753 -10.980 12.691 1.00 14.22 H new ATOM 0 HB2 ARG A 79 10.284 -7.987 12.554 1.00 63.44 H new ATOM 0 HB3 ARG A 79 11.351 -9.184 13.260 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.613 -10.263 11.034 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.545 -9.066 10.328 1.00 63.40 H new ATOM 0 HD2 ARG A 79 13.238 -8.536 11.644 1.00 74.44 H new ATOM 0 HD3 ARG A 79 12.881 -8.446 9.930 1.00 74.44 H new ATOM 0 HE ARG A 79 11.171 -6.670 11.486 1.00 53.13 H new ATOM 0 HH11 ARG A 79 14.346 -7.035 9.969 1.00 73.33 H new ATOM 0 HH12 ARG A 79 14.619 -5.293 9.858 1.00 73.33 H new ATOM 0 HH21 ARG A 79 11.558 -4.431 11.370 1.00 64.44 H new ATOM 0 HH22 ARG A 79 13.053 -3.830 10.645 1.00 64.44 H new ATOM 1223 N GLU A 80 7.858 -8.752 14.153 1.00 45.44 N ATOM 1224 CA GLU A 80 7.217 -8.377 15.413 1.00 22.12 C ATOM 1225 C GLU A 80 6.491 -9.575 16.026 1.00 4.33 C ATOM 1226 O GLU A 80 6.364 -9.681 17.244 1.00 13.03 O ATOM 1227 CB GLU A 80 6.236 -7.221 15.184 1.00 62.53 C ATOM 1228 CG GLU A 80 6.892 -5.946 14.657 1.00 73.11 C ATOM 1229 CD GLU A 80 7.877 -5.334 15.643 1.00 33.40 C ATOM 1230 OE1 GLU A 80 7.429 -4.712 16.634 1.00 33.42 O ATOM 1231 OE2 GLU A 80 9.102 -5.453 15.426 1.00 51.44 O ATOM 0 H GLU A 80 7.500 -8.256 13.337 1.00 45.44 H new ATOM 0 HA GLU A 80 7.989 -8.050 16.109 1.00 22.12 H new ATOM 0 HB2 GLU A 80 5.470 -7.542 14.478 1.00 62.53 H new ATOM 0 HB3 GLU A 80 5.730 -6.996 16.123 1.00 62.53 H new ATOM 0 HG2 GLU A 80 7.411 -6.169 13.725 1.00 73.11 H new ATOM 0 HG3 GLU A 80 6.118 -5.215 14.424 1.00 73.11 H new ATOM 1238 N HIS A 81 6.022 -10.474 15.168 1.00 54.53 N ATOM 1239 CA HIS A 81 5.344 -11.693 15.613 1.00 0.23 C ATOM 1240 C HIS A 81 6.370 -12.791 15.871 1.00 2.25 C ATOM 1241 O HIS A 81 6.104 -13.754 16.590 1.00 34.22 O ATOM 1242 CB HIS A 81 4.342 -12.159 14.552 1.00 32.20 C ATOM 1243 CG HIS A 81 3.317 -13.138 15.052 1.00 2.42 C ATOM 1244 ND1 HIS A 81 3.633 -14.311 15.702 1.00 13.53 N ATOM 1245 CD2 HIS A 81 1.965 -13.106 14.979 1.00 0.35 C ATOM 1246 CE1 HIS A 81 2.522 -14.959 16.003 1.00 43.44 C ATOM 1247 NE2 HIS A 81 1.493 -14.250 15.574 1.00 2.53 N ATOM 0 H HIS A 81 6.098 -10.384 14.155 1.00 54.53 H new ATOM 0 HA HIS A 81 4.806 -11.479 16.537 1.00 0.23 H new ATOM 0 HB2 HIS A 81 3.827 -11.287 14.149 1.00 32.20 H new ATOM 0 HB3 HIS A 81 4.890 -12.615 13.728 1.00 32.20 H new ATOM 0 HD1 HIS A 81 4.578 -14.629 15.917 1.00 13.53 H new ATOM 0 HD2 HIS A 81 1.368 -12.324 14.534 1.00 0.35 H new ATOM 0 HE1 HIS A 81 2.464 -15.909 16.514 1.00 43.44 H new ATOM 1256 N LEU A 82 7.534 -12.641 15.250 1.00 52.02 N ATOM 1257 CA LEU A 82 8.635 -13.583 15.418 1.00 15.11 C ATOM 1258 C LEU A 82 9.381 -13.248 16.713 1.00 65.10 C ATOM 1259 O LEU A 82 10.073 -14.090 17.287 1.00 73.43 O ATOM 1260 CB LEU A 82 9.574 -13.511 14.192 1.00 12.10 C ATOM 1261 CG LEU A 82 10.391 -14.783 13.862 1.00 72.24 C ATOM 1262 CD1 LEU A 82 11.506 -15.026 14.878 1.00 41.43 C ATOM 1263 CD2 LEU A 82 9.469 -15.997 13.773 1.00 53.35 C ATOM 0 H LEU A 82 7.741 -11.867 14.619 1.00 52.02 H new ATOM 0 HA LEU A 82 8.255 -14.602 15.488 1.00 15.11 H new ATOM 0 HB2 LEU A 82 8.973 -13.257 13.319 1.00 12.10 H new ATOM 0 HB3 LEU A 82 10.273 -12.689 14.348 1.00 12.10 H new ATOM 0 HG LEU A 82 10.866 -14.627 12.893 1.00 72.24 H new ATOM 0 HD11 LEU A 82 12.054 -15.929 14.608 1.00 41.43 H new ATOM 0 HD12 LEU A 82 12.187 -14.175 14.881 1.00 41.43 H new ATOM 0 HD13 LEU A 82 11.073 -15.148 15.871 1.00 41.43 H new ATOM 0 HD21 LEU A 82 10.057 -16.885 13.540 1.00 53.35 H new ATOM 0 HD22 LEU A 82 8.961 -16.138 14.727 1.00 53.35 H new ATOM 0 HD23 LEU A 82 8.730 -15.836 12.988 1.00 53.35 H new ATOM 1275 N ASN A 83 9.227 -12.003 17.164 1.00 23.21 N ATOM 1276 CA ASN A 83 9.830 -11.546 18.410 1.00 34.30 C ATOM 1277 C ASN A 83 9.248 -12.302 19.599 1.00 64.54 C ATOM 1278 O ASN A 83 8.297 -11.845 20.231 1.00 24.35 O ATOM 1279 CB ASN A 83 9.630 -10.030 18.605 1.00 5.33 C ATOM 1280 CG ASN A 83 10.522 -9.183 17.711 1.00 13.22 C ATOM 1281 OD1 ASN A 83 11.646 -9.573 17.380 1.00 20.11 O ATOM 1282 ND2 ASN A 83 10.034 -8.012 17.322 1.00 42.20 N ATOM 0 H ASN A 83 8.684 -11.289 16.678 1.00 23.21 H new ATOM 0 HA ASN A 83 10.900 -11.747 18.350 1.00 34.30 H new ATOM 0 HB2 ASN A 83 8.588 -9.780 18.407 1.00 5.33 H new ATOM 0 HB3 ASN A 83 9.826 -9.776 19.647 1.00 5.33 H new ATOM 0 HD21 ASN A 83 10.592 -7.399 16.728 1.00 42.20 H new ATOM 0 HD22 ASN A 83 9.101 -7.725 17.617 1.00 42.20 H new ATOM 1289 N GLN A 84 9.804 -13.481 19.861 1.00 54.12 N ATOM 1290 CA GLN A 84 9.469 -14.250 21.058 1.00 32.44 C ATOM 1291 C GLN A 84 10.212 -13.670 22.258 1.00 35.52 C ATOM 1292 O GLN A 84 9.981 -14.057 23.404 1.00 62.41 O ATOM 1293 CB GLN A 84 9.843 -15.728 20.866 1.00 74.55 C ATOM 1294 CG GLN A 84 9.081 -16.419 19.741 1.00 74.02 C ATOM 1295 CD GLN A 84 9.535 -17.853 19.522 1.00 54.40 C ATOM 1296 OE1 GLN A 84 10.433 -18.119 18.718 1.00 71.43 O ATOM 1297 NE2 GLN A 84 8.932 -18.786 20.244 1.00 3.04 N ATOM 0 H GLN A 84 10.493 -13.928 19.257 1.00 54.12 H new ATOM 0 HA GLN A 84 8.395 -14.188 21.234 1.00 32.44 H new ATOM 0 HB2 GLN A 84 10.912 -15.798 20.664 1.00 74.55 H new ATOM 0 HB3 GLN A 84 9.659 -16.263 21.798 1.00 74.55 H new ATOM 0 HG2 GLN A 84 8.015 -16.410 19.970 1.00 74.02 H new ATOM 0 HG3 GLN A 84 9.213 -15.855 18.818 1.00 74.02 H new ATOM 0 HE21 GLN A 84 8.194 -18.527 20.898 1.00 3.04 H new ATOM 0 HE22 GLN A 84 9.206 -19.764 20.146 1.00 3.04 H new ATOM 1306 N HIS A 85 11.119 -12.746 21.973 1.00 50.13 N ATOM 1307 CA HIS A 85 11.875 -12.052 23.009 1.00 23.14 C ATOM 1308 C HIS A 85 11.193 -10.730 23.354 1.00 22.41 C ATOM 1309 O HIS A 85 10.840 -9.961 22.458 1.00 2.45 O ATOM 1310 CB HIS A 85 13.324 -11.805 22.550 1.00 52.30 C ATOM 1311 CG HIS A 85 13.450 -10.945 21.324 1.00 34.32 C ATOM 1312 ND1 HIS A 85 13.731 -9.596 21.372 1.00 73.50 N ATOM 1313 CD2 HIS A 85 13.332 -11.251 20.009 1.00 52.32 C ATOM 1314 CE1 HIS A 85 13.776 -9.113 20.145 1.00 52.11 C ATOM 1315 NE2 HIS A 85 13.537 -10.095 19.298 1.00 52.35 N ATOM 0 H HIS A 85 11.351 -12.457 21.023 1.00 50.13 H new ATOM 0 HA HIS A 85 11.902 -12.679 23.900 1.00 23.14 H new ATOM 0 HB2 HIS A 85 13.875 -11.337 23.365 1.00 52.30 H new ATOM 0 HB3 HIS A 85 13.799 -12.766 22.355 1.00 52.30 H new ATOM 0 HD2 HIS A 85 13.116 -12.225 19.596 1.00 52.32 H new ATOM 0 HE1 HIS A 85 13.975 -8.085 19.879 1.00 52.11 H new ATOM 0 HE2 HIS A 85 13.509 -10.010 18.282 1.00 52.35 H new ATOM 1324 N SER A 86 10.984 -10.496 24.652 1.00 2.41 N ATOM 1325 CA SER A 86 10.353 -9.265 25.149 1.00 53.33 C ATOM 1326 C SER A 86 8.862 -9.197 24.782 1.00 3.22 C ATOM 1327 O SER A 86 8.207 -8.166 24.980 1.00 51.12 O ATOM 1328 CB SER A 86 11.093 -8.026 24.621 1.00 53.13 C ATOM 1329 OG SER A 86 12.461 -8.047 24.999 1.00 2.23 O ATOM 0 H SER A 86 11.246 -11.151 25.389 1.00 2.41 H new ATOM 0 HA SER A 86 10.423 -9.280 26.237 1.00 53.33 H new ATOM 0 HB2 SER A 86 11.013 -7.987 23.535 1.00 53.13 H new ATOM 0 HB3 SER A 86 10.620 -7.124 25.008 1.00 53.13 H new ATOM 0 HG SER A 86 12.909 -7.249 24.649 1.00 2.23 H new ATOM 1335 N GLY A 87 8.323 -10.303 24.278 1.00 74.42 N ATOM 1336 CA GLY A 87 6.919 -10.354 23.902 1.00 31.33 C ATOM 1337 C GLY A 87 6.567 -11.641 23.183 1.00 32.32 C ATOM 1338 O GLY A 87 7.459 -12.336 22.707 1.00 53.13 O ATOM 0 H GLY A 87 8.836 -11.171 24.122 1.00 74.42 H new ATOM 0 HA2 GLY A 87 6.301 -10.258 24.795 1.00 31.33 H new ATOM 0 HA3 GLY A 87 6.685 -9.505 23.260 1.00 31.33 H new ATOM 1342 N PRO A 88 5.270 -12.006 23.126 1.00 70.20 N ATOM 1343 CA PRO A 88 4.799 -13.190 22.412 1.00 73.53 C ATOM 1344 C PRO A 88 4.218 -12.863 21.028 1.00 3.41 C ATOM 1345 O PRO A 88 3.508 -13.680 20.436 1.00 45.03 O ATOM 1346 CB PRO A 88 3.705 -13.689 23.360 1.00 5.34 C ATOM 1347 CG PRO A 88 3.112 -12.441 23.952 1.00 11.52 C ATOM 1348 CD PRO A 88 4.150 -11.337 23.810 1.00 42.10 C ATOM 0 HA PRO A 88 5.591 -13.908 22.199 1.00 73.53 H new ATOM 0 HB2 PRO A 88 2.953 -14.269 22.826 1.00 5.34 H new ATOM 0 HB3 PRO A 88 4.117 -14.337 24.134 1.00 5.34 H new ATOM 0 HG2 PRO A 88 2.191 -12.171 23.436 1.00 11.52 H new ATOM 0 HG3 PRO A 88 2.857 -12.596 25.000 1.00 11.52 H new ATOM 0 HD2 PRO A 88 3.767 -10.498 23.228 1.00 42.10 H new ATOM 0 HD3 PRO A 88 4.451 -10.941 24.780 1.00 42.10 H new ATOM 1356 N GLY A 89 4.524 -11.667 20.520 1.00 45.11 N ATOM 1357 CA GLY A 89 4.004 -11.233 19.228 1.00 73.43 C ATOM 1358 C GLY A 89 2.487 -11.114 19.221 1.00 22.31 C ATOM 1359 O GLY A 89 1.800 -11.814 18.469 1.00 11.13 O ATOM 0 H GLY A 89 5.127 -10.987 20.983 1.00 45.11 H new ATOM 0 HA2 GLY A 89 4.442 -10.269 18.969 1.00 73.43 H new ATOM 0 HA3 GLY A 89 4.313 -11.941 18.459 1.00 73.43 H new ATOM 1363 N ILE A 90 1.966 -10.209 20.046 1.00 5.14 N ATOM 1364 CA ILE A 90 0.523 -10.078 20.245 1.00 21.42 C ATOM 1365 C ILE A 90 -0.175 -9.432 19.042 1.00 23.35 C ATOM 1366 O ILE A 90 -0.190 -8.209 18.903 1.00 33.33 O ATOM 1367 CB ILE A 90 0.192 -9.258 21.524 1.00 44.04 C ATOM 1368 CG1 ILE A 90 0.836 -9.908 22.760 1.00 14.02 C ATOM 1369 CG2 ILE A 90 -1.323 -9.130 21.714 1.00 43.22 C ATOM 1370 CD1 ILE A 90 0.570 -9.167 24.058 1.00 22.10 C ATOM 0 H ILE A 90 2.524 -9.552 20.591 1.00 5.14 H new ATOM 0 HA ILE A 90 0.146 -11.094 20.361 1.00 21.42 H new ATOM 0 HB ILE A 90 0.605 -8.257 21.402 1.00 44.04 H new ATOM 0 HG12 ILE A 90 0.467 -10.929 22.855 1.00 14.02 H new ATOM 0 HG13 ILE A 90 1.913 -9.972 22.604 1.00 14.02 H new ATOM 0 HG21 ILE A 90 -1.529 -8.552 22.615 1.00 43.22 H new ATOM 0 HG22 ILE A 90 -1.756 -8.624 20.851 1.00 43.22 H new ATOM 0 HG23 ILE A 90 -1.763 -10.123 21.811 1.00 43.22 H new ATOM 0 HD11 ILE A 90 1.058 -9.689 24.881 1.00 22.10 H new ATOM 0 HD12 ILE A 90 0.965 -8.154 23.986 1.00 22.10 H new ATOM 0 HD13 ILE A 90 -0.504 -9.126 24.240 1.00 22.10 H new ATOM 1382 N ASP A 91 -0.690 -10.282 18.151 1.00 1.23 N ATOM 1383 CA ASP A 91 -1.664 -9.879 17.121 1.00 74.51 C ATOM 1384 C ASP A 91 -1.093 -8.905 16.090 1.00 2.04 C ATOM 1385 O ASP A 91 -1.794 -8.469 15.174 1.00 62.54 O ATOM 1386 CB ASP A 91 -2.917 -9.286 17.797 1.00 44.12 C ATOM 1387 CG ASP A 91 -4.055 -8.999 16.825 1.00 15.41 C ATOM 1388 OD1 ASP A 91 -4.744 -9.957 16.418 1.00 43.31 O ATOM 1389 OD2 ASP A 91 -4.277 -7.817 16.474 1.00 24.45 O ATOM 0 H ASP A 91 -0.446 -11.272 18.119 1.00 1.23 H new ATOM 0 HA ASP A 91 -1.931 -10.778 16.565 1.00 74.51 H new ATOM 0 HB2 ASP A 91 -3.269 -9.978 18.562 1.00 44.12 H new ATOM 0 HB3 ASP A 91 -2.643 -8.362 18.305 1.00 44.12 H new ATOM 1394 N TYR A 92 0.184 -8.595 16.202 1.00 33.23 N ATOM 1395 CA TYR A 92 0.807 -7.626 15.300 1.00 55.10 C ATOM 1396 C TYR A 92 1.605 -8.335 14.204 1.00 54.42 C ATOM 1397 O TYR A 92 2.789 -8.635 14.377 1.00 72.11 O ATOM 1398 CB TYR A 92 1.697 -6.636 16.061 1.00 14.33 C ATOM 1399 CG TYR A 92 2.114 -5.449 15.208 1.00 5.32 C ATOM 1400 CD1 TYR A 92 1.320 -4.308 15.136 1.00 74.10 C ATOM 1401 CD2 TYR A 92 3.287 -5.476 14.461 1.00 64.52 C ATOM 1402 CE1 TYR A 92 1.687 -3.233 14.351 1.00 61.43 C ATOM 1403 CE2 TYR A 92 3.656 -4.405 13.674 1.00 43.34 C ATOM 1404 CZ TYR A 92 2.853 -3.288 13.622 1.00 34.30 C ATOM 1405 OH TYR A 92 3.220 -2.218 12.837 1.00 4.12 O ATOM 0 H TYR A 92 0.812 -8.992 16.900 1.00 33.23 H new ATOM 0 HA TYR A 92 0.005 -7.057 14.830 1.00 55.10 H new ATOM 0 HB2 TYR A 92 1.164 -6.277 16.941 1.00 14.33 H new ATOM 0 HB3 TYR A 92 2.588 -7.154 16.417 1.00 14.33 H new ATOM 0 HD1 TYR A 92 0.402 -4.263 15.703 1.00 74.10 H new ATOM 0 HD2 TYR A 92 3.920 -6.350 14.498 1.00 64.52 H new ATOM 0 HE1 TYR A 92 1.062 -2.353 14.309 1.00 61.43 H new ATOM 0 HE2 TYR A 92 4.571 -4.443 13.101 1.00 43.34 H new ATOM 0 HH TYR A 92 4.069 -2.417 12.389 1.00 4.12 H new ATOM 1415 N ALA A 93 0.913 -8.616 13.101 1.00 11.13 N ATOM 1416 CA ALA A 93 1.480 -9.247 11.903 1.00 53.10 C ATOM 1417 C ALA A 93 0.333 -9.739 11.033 1.00 2.23 C ATOM 1418 O ALA A 93 -0.823 -9.380 11.274 1.00 73.52 O ATOM 1419 CB ALA A 93 2.398 -10.417 12.257 1.00 75.12 C ATOM 0 H ALA A 93 -0.081 -8.408 13.010 1.00 11.13 H new ATOM 0 HA ALA A 93 2.083 -8.511 11.371 1.00 53.10 H new ATOM 0 HB1 ALA A 93 2.797 -10.856 11.343 1.00 75.12 H new ATOM 0 HB2 ALA A 93 3.220 -10.060 12.877 1.00 75.12 H new ATOM 0 HB3 ALA A 93 1.832 -11.171 12.805 1.00 75.12 H new ATOM 1425 N VAL A 94 0.641 -10.543 10.022 1.00 65.13 N ATOM 1426 CA VAL A 94 -0.404 -11.219 9.270 1.00 73.34 C ATOM 1427 C VAL A 94 -1.027 -12.295 10.162 1.00 64.21 C ATOM 1428 O VAL A 94 -0.313 -13.061 10.816 1.00 24.50 O ATOM 1429 CB VAL A 94 0.111 -11.837 7.938 1.00 52.51 C ATOM 1430 CG1 VAL A 94 1.232 -12.847 8.176 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.042 -12.481 7.166 1.00 41.25 C ATOM 0 H VAL A 94 1.592 -10.740 9.709 1.00 65.13 H new ATOM 0 HA VAL A 94 -1.152 -10.479 8.986 1.00 73.34 H new ATOM 0 HB VAL A 94 0.526 -11.027 7.338 1.00 52.51 H new ATOM 0 HG11 VAL A 94 1.563 -13.255 7.221 1.00 75.41 H new ATOM 0 HG12 VAL A 94 2.069 -12.352 8.669 1.00 75.41 H new ATOM 0 HG13 VAL A 94 0.865 -13.656 8.808 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -0.664 -12.908 6.237 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -1.490 -13.269 7.772 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -1.794 -11.726 6.938 1.00 41.25 H new ATOM 1441 N ARG A 95 -2.351 -12.301 10.226 1.00 64.15 N ATOM 1442 CA ARG A 95 -3.092 -13.208 11.101 1.00 53.51 C ATOM 1443 C ARG A 95 -2.893 -14.657 10.664 1.00 63.34 C ATOM 1444 O ARG A 95 -3.484 -15.047 9.645 1.00 22.32 O ATOM 1445 CB ARG A 95 -4.584 -12.834 11.083 1.00 22.34 C ATOM 1446 CG ARG A 95 -4.862 -11.425 11.598 1.00 23.40 C ATOM 1447 CD ARG A 95 -4.928 -11.384 13.122 1.00 44.34 C ATOM 1448 NE ARG A 95 -4.831 -10.025 13.671 1.00 74.54 N ATOM 1449 CZ ARG A 95 -5.583 -8.975 13.307 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -6.500 -9.073 12.342 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -5.426 -7.820 13.935 1.00 42.22 N ATOM 1452 OXT ARG A 95 -2.148 -15.394 11.350 1.00 0.00 O ATOM 0 H ARG A 95 -2.944 -11.680 9.675 1.00 64.15 H new ATOM 0 HA ARG A 95 -2.714 -13.111 12.119 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -4.960 -12.921 10.064 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.138 -13.550 11.690 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -4.081 -10.749 11.249 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -5.803 -11.065 11.183 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -5.864 -11.835 13.451 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -4.121 -11.992 13.530 1.00 44.34 H new ATOM 0 HE ARG A 95 -4.129 -9.865 14.394 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -6.642 -9.962 11.862 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -7.058 -8.259 12.085 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -4.740 -7.737 14.685 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -5.991 -7.014 13.668 1.00 42.22 H new TER 1466 ARG A 95