USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 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 86 TYR OH : rot 174:sc= 1.32 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.1 K(o=0.22,f=-3.2!) USER MOD Set 2.1: A 29 TYR OH : rot 169:sc= 1.22 USER MOD Set 2.2: A 97 THR OG1 : rot 126:sc= 1.76 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.238 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-7.6!) USER MOD Single : A 38 SER OG : rot -79:sc= 0.473 USER MOD Single : A 47 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.74) USER MOD Single : A 53 THR OG1 : rot -35:sc= 1.89 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.645 K(o=-0.65,f=-1.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 77 SER OG : rot -80:sc= 1.13 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.712 USER MOD Single : A 80 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.6) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 73:sc= 0.583 USER MOD Single : A 89 HIS : +bothHN:sc= -0.135 K(o=-0.13,f=-4.1!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.421) USER MOD Single : A 108 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.6) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= -0.0165 (180deg=-0.144) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 100:sc= -0.448 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 125 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.6!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.7!) USER MOD Single : A 131 ASN : amide:sc= 0.494 K(o=0.49,f=-4.5!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -2.294 -0.836 0.193 1.00 13.00 N ATOM 2 CA GLY A 2 -2.075 -1.238 -1.183 1.00 45.03 C ATOM 3 C GLY A 2 -1.538 -0.109 -2.039 1.00 43.43 C ATOM 4 O GLY A 2 -2.163 0.944 -2.155 1.00 53.33 O ATOM 0 HA2 GLY A 2 -1.374 -2.073 -1.207 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -3.013 -1.597 -1.607 1.00 45.03 H new ATOM 8 N ALA A 3 -0.372 -0.327 -2.641 1.00 42.24 N ATOM 9 CA ALA A 3 0.249 0.680 -3.491 1.00 15.45 C ATOM 10 C ALA A 3 0.885 0.044 -4.722 1.00 1.12 C ATOM 11 O ALA A 3 0.916 -1.179 -4.854 1.00 62.02 O ATOM 12 CB ALA A 3 1.288 1.467 -2.704 1.00 40.23 C ATOM 0 H ALA A 3 0.161 -1.193 -2.555 1.00 42.24 H new ATOM 0 HA ALA A 3 -0.529 1.364 -3.830 1.00 15.45 H new ATOM 0 HB1 ALA A 3 1.744 2.216 -3.351 1.00 40.23 H new ATOM 0 HB2 ALA A 3 0.807 1.961 -1.860 1.00 40.23 H new ATOM 0 HB3 ALA A 3 2.057 0.788 -2.337 1.00 40.23 H new ATOM 18 N ARG A 4 1.392 0.882 -5.621 1.00 74.33 N ATOM 19 CA ARG A 4 2.025 0.401 -6.843 1.00 1.02 C ATOM 20 C ARG A 4 3.514 0.149 -6.620 1.00 73.30 C ATOM 21 O ARG A 4 4.199 0.945 -5.980 1.00 41.20 O ATOM 22 CB ARG A 4 1.832 1.412 -7.975 1.00 64.43 C ATOM 23 CG ARG A 4 0.773 0.999 -8.984 1.00 72.23 C ATOM 24 CD ARG A 4 1.393 0.324 -10.198 1.00 35.21 C ATOM 25 NE ARG A 4 0.711 0.692 -11.436 1.00 51.42 N ATOM 26 CZ ARG A 4 0.926 1.832 -12.082 1.00 53.45 C ATOM 27 NH1 ARG A 4 1.799 2.711 -11.611 1.00 13.24 N1+ ATOM 28 NH2 ARG A 4 0.267 2.096 -13.204 1.00 20.13 N ATOM 0 H ARG A 4 1.377 1.897 -5.526 1.00 74.33 H new ATOM 0 HA ARG A 4 1.552 -0.540 -7.122 1.00 1.02 H new ATOM 0 HB2 ARG A 4 1.558 2.376 -7.547 1.00 64.43 H new ATOM 0 HB3 ARG A 4 2.781 1.551 -8.493 1.00 64.43 H new ATOM 0 HG2 ARG A 4 0.064 0.320 -8.511 1.00 72.23 H new ATOM 0 HG3 ARG A 4 0.210 1.877 -9.302 1.00 72.23 H new ATOM 0 HD2 ARG A 4 2.445 0.599 -10.268 1.00 35.21 H new ATOM 0 HD3 ARG A 4 1.354 -0.758 -10.071 1.00 35.21 H new ATOM 0 HE ARG A 4 0.033 0.038 -11.826 1.00 51.42 H new ATOM 0 HH11 ARG A 4 2.308 2.513 -10.750 1.00 13.24 H new ATOM 0 HH12 ARG A 4 1.962 3.586 -12.110 1.00 13.24 H new ATOM 0 HH21 ARG A 4 -0.406 1.423 -13.571 1.00 20.13 H new ATOM 0 HH22 ARG A 4 0.433 2.972 -13.699 1.00 20.13 H new ATOM 42 N ALA A 5 4.005 -0.965 -7.152 1.00 1.42 N ATOM 43 CA ALA A 5 5.412 -1.321 -7.013 1.00 4.15 C ATOM 44 C ALA A 5 5.769 -2.505 -7.906 1.00 2.32 C ATOM 45 O ALA A 5 4.945 -3.386 -8.145 1.00 32.40 O ATOM 46 CB ALA A 5 5.735 -1.637 -5.561 1.00 24.23 C ATOM 0 H ALA A 5 3.450 -1.636 -7.683 1.00 1.42 H new ATOM 0 HA ALA A 5 6.011 -0.467 -7.329 1.00 4.15 H new ATOM 0 HB1 ALA A 5 6.789 -1.901 -5.472 1.00 24.23 H new ATOM 0 HB2 ALA A 5 5.526 -0.763 -4.943 1.00 24.23 H new ATOM 0 HB3 ALA A 5 5.122 -2.473 -5.226 1.00 24.23 H new ATOM 52 N SER A 6 7.005 -2.518 -8.397 1.00 51.51 N ATOM 53 CA SER A 6 7.470 -3.591 -9.267 1.00 40.03 C ATOM 54 C SER A 6 8.455 -4.498 -8.534 1.00 55.15 C ATOM 55 O SER A 6 9.250 -4.035 -7.716 1.00 71.31 O ATOM 56 CB SER A 6 8.129 -3.011 -10.520 1.00 42.05 C ATOM 57 OG SER A 6 7.446 -3.421 -11.692 1.00 23.32 O ATOM 0 H SER A 6 7.701 -1.797 -8.207 1.00 51.51 H new ATOM 0 HA SER A 6 6.606 -4.186 -9.562 1.00 40.03 H new ATOM 0 HB2 SER A 6 8.135 -1.923 -10.461 1.00 42.05 H new ATOM 0 HB3 SER A 6 9.169 -3.333 -10.570 1.00 42.05 H new ATOM 0 HG SER A 6 7.886 -3.036 -12.479 1.00 23.32 H new ATOM 63 N VAL A 7 8.395 -5.791 -8.834 1.00 0.14 N ATOM 64 CA VAL A 7 9.281 -6.763 -8.205 1.00 73.12 C ATOM 65 C VAL A 7 10.701 -6.641 -8.744 1.00 45.43 C ATOM 66 O VAL A 7 11.663 -6.560 -7.979 1.00 51.42 O ATOM 67 CB VAL A 7 8.782 -8.203 -8.427 1.00 34.44 C ATOM 68 CG1 VAL A 7 9.629 -9.190 -7.637 1.00 42.11 C ATOM 69 CG2 VAL A 7 7.314 -8.323 -8.044 1.00 3.35 C ATOM 0 H VAL A 7 7.742 -6.190 -9.509 1.00 0.14 H new ATOM 0 HA VAL A 7 9.281 -6.547 -7.137 1.00 73.12 H new ATOM 0 HB VAL A 7 8.879 -8.443 -9.486 1.00 34.44 H new ATOM 0 HG11 VAL A 7 9.261 -10.202 -7.806 1.00 42.11 H new ATOM 0 HG12 VAL A 7 10.667 -9.122 -7.963 1.00 42.11 H new ATOM 0 HG13 VAL A 7 9.566 -8.954 -6.575 1.00 42.11 H new ATOM 0 HG21 VAL A 7 6.978 -9.347 -8.207 1.00 3.35 H new ATOM 0 HG22 VAL A 7 7.190 -8.064 -6.993 1.00 3.35 H new ATOM 0 HG23 VAL A 7 6.721 -7.645 -8.658 1.00 3.35 H new ATOM 79 N LEU A 8 10.828 -6.628 -10.067 1.00 71.31 N ATOM 80 CA LEU A 8 12.132 -6.516 -10.711 1.00 35.23 C ATOM 81 C LEU A 8 12.293 -5.154 -11.380 1.00 34.44 C ATOM 82 O LEU A 8 11.415 -4.706 -12.115 1.00 74.11 O ATOM 83 CB LEU A 8 12.311 -7.630 -11.744 1.00 13.31 C ATOM 84 CG LEU A 8 12.490 -9.041 -11.186 1.00 30.14 C ATOM 85 CD1 LEU A 8 12.401 -10.072 -12.300 1.00 1.01 C ATOM 86 CD2 LEU A 8 13.817 -9.159 -10.451 1.00 64.25 C ATOM 0 H LEU A 8 10.043 -6.694 -10.715 1.00 71.31 H new ATOM 0 HA LEU A 8 12.899 -6.616 -9.943 1.00 35.23 H new ATOM 0 HB2 LEU A 8 11.443 -7.629 -12.403 1.00 13.31 H new ATOM 0 HB3 LEU A 8 13.179 -7.392 -12.359 1.00 13.31 H new ATOM 0 HG LEU A 8 11.686 -9.235 -10.476 1.00 30.14 H new ATOM 0 HD11 LEU A 8 12.531 -11.071 -11.883 1.00 1.01 H new ATOM 0 HD12 LEU A 8 11.426 -10.004 -12.782 1.00 1.01 H new ATOM 0 HD13 LEU A 8 13.183 -9.882 -13.035 1.00 1.01 H new ATOM 0 HD21 LEU A 8 13.928 -10.170 -10.060 1.00 64.25 H new ATOM 0 HD22 LEU A 8 14.634 -8.944 -11.139 1.00 64.25 H new ATOM 0 HD23 LEU A 8 13.841 -8.447 -9.626 1.00 64.25 H new ATOM 98 N SER A 9 13.422 -4.503 -11.120 1.00 62.31 N ATOM 99 CA SER A 9 13.698 -3.192 -11.697 1.00 21.14 C ATOM 100 C SER A 9 14.008 -3.308 -13.186 1.00 34.32 C ATOM 101 O SER A 9 13.880 -4.379 -13.777 1.00 11.10 O ATOM 102 CB SER A 9 14.871 -2.530 -10.971 1.00 72.11 C ATOM 103 OG SER A 9 16.101 -2.837 -11.602 1.00 4.21 O ATOM 0 H SER A 9 14.160 -4.861 -10.514 1.00 62.31 H new ATOM 0 HA SER A 9 12.808 -2.574 -11.576 1.00 21.14 H new ATOM 0 HB2 SER A 9 14.728 -1.450 -10.953 1.00 72.11 H new ATOM 0 HB3 SER A 9 14.897 -2.866 -9.934 1.00 72.11 H new ATOM 0 HG SER A 9 16.834 -2.401 -11.120 1.00 4.21 H new ATOM 109 N GLY A 10 14.414 -2.193 -13.788 1.00 25.42 N ATOM 110 CA GLY A 10 14.734 -2.190 -15.202 1.00 45.53 C ATOM 111 C GLY A 10 15.849 -3.158 -15.548 1.00 1.32 C ATOM 112 O GLY A 10 15.716 -3.968 -16.463 1.00 5.42 O ATOM 0 H GLY A 10 14.526 -1.293 -13.321 1.00 25.42 H new ATOM 0 HA2 GLY A 10 13.843 -2.449 -15.773 1.00 45.53 H new ATOM 0 HA3 GLY A 10 15.025 -1.184 -15.503 1.00 45.53 H new ATOM 116 N GLY A 11 16.955 -3.071 -14.812 1.00 73.35 N ATOM 117 CA GLY A 11 18.082 -3.951 -15.062 1.00 74.52 C ATOM 118 C GLY A 11 17.755 -5.405 -14.785 1.00 52.03 C ATOM 119 O GLY A 11 18.169 -6.293 -15.531 1.00 34.11 O ATOM 0 H GLY A 11 17.090 -2.408 -14.049 1.00 73.35 H new ATOM 0 HA2 GLY A 11 18.399 -3.844 -16.099 1.00 74.52 H new ATOM 0 HA3 GLY A 11 18.923 -3.646 -14.439 1.00 74.52 H new ATOM 123 N GLU A 12 17.011 -5.649 -13.711 1.00 24.24 N ATOM 124 CA GLU A 12 16.632 -7.006 -13.338 1.00 32.43 C ATOM 125 C GLU A 12 15.652 -7.596 -14.349 1.00 4.40 C ATOM 126 O GLU A 12 15.707 -8.785 -14.663 1.00 21.22 O ATOM 127 CB GLU A 12 16.008 -7.020 -11.941 1.00 4.22 C ATOM 128 CG GLU A 12 16.778 -6.194 -10.923 1.00 34.25 C ATOM 129 CD GLU A 12 16.263 -6.384 -9.509 1.00 51.44 C ATOM 130 OE1 GLU A 12 15.277 -5.711 -9.142 1.00 61.24 O ATOM 131 OE2 GLU A 12 16.846 -7.204 -8.770 1.00 2.02 O1- ATOM 0 H GLU A 12 16.659 -4.925 -13.085 1.00 24.24 H new ATOM 0 HA GLU A 12 17.534 -7.618 -13.332 1.00 32.43 H new ATOM 0 HB2 GLU A 12 14.987 -6.644 -12.004 1.00 4.22 H new ATOM 0 HB3 GLU A 12 15.947 -8.050 -11.590 1.00 4.22 H new ATOM 0 HG2 GLU A 12 17.832 -6.467 -10.962 1.00 34.25 H new ATOM 0 HG3 GLU A 12 16.712 -5.140 -11.191 1.00 34.25 H new ATOM 138 N LEU A 13 14.758 -6.755 -14.856 1.00 14.23 N ATOM 139 CA LEU A 13 13.765 -7.191 -15.832 1.00 34.21 C ATOM 140 C LEU A 13 14.438 -7.784 -17.065 1.00 63.50 C ATOM 141 O LEU A 13 14.138 -8.908 -17.467 1.00 61.52 O ATOM 142 CB LEU A 13 12.872 -6.017 -16.239 1.00 1.42 C ATOM 143 CG LEU A 13 11.583 -6.379 -16.978 1.00 34.52 C ATOM 144 CD1 LEU A 13 10.667 -7.198 -16.081 1.00 42.15 C ATOM 145 CD2 LEU A 13 10.874 -5.122 -17.462 1.00 24.30 C ATOM 0 H LEU A 13 14.700 -5.767 -14.608 1.00 14.23 H new ATOM 0 HA LEU A 13 13.151 -7.963 -15.369 1.00 34.21 H new ATOM 0 HB2 LEU A 13 12.608 -5.459 -15.341 1.00 1.42 H new ATOM 0 HB3 LEU A 13 13.454 -5.346 -16.871 1.00 1.42 H new ATOM 0 HG LEU A 13 11.842 -6.983 -17.848 1.00 34.52 H new ATOM 0 HD11 LEU A 13 9.755 -7.447 -16.623 1.00 42.15 H new ATOM 0 HD12 LEU A 13 11.174 -8.116 -15.784 1.00 42.15 H new ATOM 0 HD13 LEU A 13 10.415 -6.619 -15.193 1.00 42.15 H new ATOM 0 HD21 LEU A 13 9.959 -5.399 -17.986 1.00 24.30 H new ATOM 0 HD22 LEU A 13 10.627 -4.492 -16.608 1.00 24.30 H new ATOM 0 HD23 LEU A 13 11.528 -4.574 -18.140 1.00 24.30 H new ATOM 157 N ASP A 14 15.350 -7.024 -17.659 1.00 14.40 N ATOM 158 CA ASP A 14 16.068 -7.475 -18.844 1.00 3.23 C ATOM 159 C ASP A 14 16.694 -8.847 -18.610 1.00 43.33 C ATOM 160 O ASP A 14 16.676 -9.708 -19.490 1.00 32.04 O ATOM 161 CB ASP A 14 17.152 -6.466 -19.227 1.00 14.33 C ATOM 162 CG ASP A 14 16.935 -5.879 -20.607 1.00 43.15 C ATOM 163 OD1 ASP A 14 15.964 -5.113 -20.782 1.00 61.41 O ATOM 164 OD2 ASP A 14 17.738 -6.185 -21.514 1.00 72.32 O1- ATOM 0 H ASP A 14 15.610 -6.091 -17.339 1.00 14.40 H new ATOM 0 HA ASP A 14 15.353 -7.555 -19.662 1.00 3.23 H new ATOM 0 HB2 ASP A 14 17.171 -5.661 -18.492 1.00 14.33 H new ATOM 0 HB3 ASP A 14 18.126 -6.953 -19.192 1.00 14.33 H new ATOM 169 N LYS A 15 17.249 -9.043 -17.420 1.00 12.34 N ATOM 170 CA LYS A 15 17.881 -10.309 -17.068 1.00 63.22 C ATOM 171 C LYS A 15 16.837 -11.403 -16.873 1.00 32.42 C ATOM 172 O LYS A 15 17.031 -12.542 -17.297 1.00 71.40 O ATOM 173 CB LYS A 15 18.714 -10.151 -15.794 1.00 4.12 C ATOM 174 CG LYS A 15 20.204 -10.356 -16.011 1.00 71.41 C ATOM 175 CD LYS A 15 21.010 -9.176 -15.497 1.00 2.42 C ATOM 176 CE LYS A 15 22.480 -9.533 -15.336 1.00 31.53 C ATOM 177 NZ LYS A 15 23.371 -8.509 -15.948 1.00 35.30 N1+ ATOM 0 H LYS A 15 17.274 -8.340 -16.681 1.00 12.34 H new ATOM 0 HA LYS A 15 18.536 -10.599 -17.889 1.00 63.22 H new ATOM 0 HB2 LYS A 15 18.549 -9.155 -15.383 1.00 4.12 H new ATOM 0 HB3 LYS A 15 18.362 -10.865 -15.049 1.00 4.12 H new ATOM 0 HG2 LYS A 15 20.525 -11.266 -15.503 1.00 71.41 H new ATOM 0 HG3 LYS A 15 20.402 -10.498 -17.074 1.00 71.41 H new ATOM 0 HD2 LYS A 15 20.911 -8.338 -16.187 1.00 2.42 H new ATOM 0 HD3 LYS A 15 20.607 -8.848 -14.539 1.00 2.42 H new ATOM 0 HE2 LYS A 15 22.715 -9.632 -14.276 1.00 31.53 H new ATOM 0 HE3 LYS A 15 22.671 -10.502 -15.797 1.00 31.53 H new ATOM 0 HZ1 LYS A 15 24.364 -8.790 -15.817 1.00 35.30 H new ATOM 0 HZ2 LYS A 15 23.165 -8.432 -16.964 1.00 35.30 H new ATOM 0 HZ3 LYS A 15 23.208 -7.589 -15.491 1.00 35.30 H new ATOM 191 N TRP A 16 15.730 -11.049 -16.229 1.00 12.14 N ATOM 192 CA TRP A 16 14.654 -12.001 -15.979 1.00 61.04 C ATOM 193 C TRP A 16 14.182 -12.642 -17.279 1.00 23.31 C ATOM 194 O TRP A 16 13.884 -13.836 -17.319 1.00 43.22 O ATOM 195 CB TRP A 16 13.481 -11.306 -15.284 1.00 4.15 C ATOM 196 CG TRP A 16 12.268 -12.177 -15.153 1.00 43.23 C ATOM 197 CD1 TRP A 16 11.141 -12.130 -15.921 1.00 35.41 C ATOM 198 CD2 TRP A 16 12.062 -13.221 -14.196 1.00 12.15 C ATOM 199 NE1 TRP A 16 10.244 -13.082 -15.499 1.00 25.51 N ATOM 200 CE2 TRP A 16 10.787 -13.766 -14.443 1.00 14.21 C ATOM 201 CE3 TRP A 16 12.831 -13.751 -13.155 1.00 41.54 C ATOM 202 CZ2 TRP A 16 10.265 -14.812 -13.685 1.00 70.03 C ATOM 203 CZ3 TRP A 16 12.312 -14.789 -12.405 1.00 54.32 C ATOM 204 CH2 TRP A 16 11.039 -15.311 -12.673 1.00 43.50 C ATOM 0 H TRP A 16 15.554 -10.110 -15.871 1.00 12.14 H new ATOM 0 HA TRP A 16 15.040 -12.785 -15.328 1.00 61.04 H new ATOM 0 HB2 TRP A 16 13.796 -10.982 -14.292 1.00 4.15 H new ATOM 0 HB3 TRP A 16 13.217 -10.409 -15.843 1.00 4.15 H new ATOM 0 HD1 TRP A 16 10.978 -11.445 -16.740 1.00 35.41 H new ATOM 0 HE1 TRP A 16 9.324 -13.252 -15.906 1.00 25.51 H new ATOM 0 HE3 TRP A 16 13.813 -13.356 -12.941 1.00 41.54 H new ATOM 0 HZ2 TRP A 16 9.284 -15.215 -13.889 1.00 70.03 H new ATOM 0 HZ3 TRP A 16 12.897 -15.205 -11.598 1.00 54.32 H new ATOM 0 HH2 TRP A 16 10.662 -16.123 -12.069 1.00 43.50 H new ATOM 215 N GLU A 17 14.116 -11.843 -18.339 1.00 63.33 N ATOM 216 CA GLU A 17 13.679 -12.335 -19.640 1.00 23.50 C ATOM 217 C GLU A 17 14.756 -13.205 -20.283 1.00 12.42 C ATOM 218 O GLU A 17 14.486 -13.960 -21.216 1.00 32.52 O ATOM 219 CB GLU A 17 13.335 -11.165 -20.563 1.00 74.43 C ATOM 220 CG GLU A 17 12.065 -10.430 -20.167 1.00 4.01 C ATOM 221 CD GLU A 17 11.540 -9.534 -21.272 1.00 1.35 C ATOM 222 OE1 GLU A 17 11.020 -10.068 -22.272 1.00 42.15 O1- ATOM 223 OE2 GLU A 17 11.650 -8.297 -21.134 1.00 64.44 O ATOM 0 H GLU A 17 14.359 -10.853 -18.322 1.00 63.33 H new ATOM 0 HA GLU A 17 12.787 -12.943 -19.489 1.00 23.50 H new ATOM 0 HB2 GLU A 17 14.166 -10.460 -20.567 1.00 74.43 H new ATOM 0 HB3 GLU A 17 13.227 -11.537 -21.582 1.00 74.43 H new ATOM 0 HG2 GLU A 17 11.298 -11.157 -19.898 1.00 4.01 H new ATOM 0 HG3 GLU A 17 12.260 -9.829 -19.279 1.00 4.01 H new ATOM 230 N LYS A 18 15.980 -13.089 -19.777 1.00 64.45 N ATOM 231 CA LYS A 18 17.099 -13.864 -20.300 1.00 4.14 C ATOM 232 C LYS A 18 17.317 -15.130 -19.477 1.00 14.30 C ATOM 233 O LYS A 18 18.447 -15.594 -19.323 1.00 31.02 O ATOM 234 CB LYS A 18 18.374 -13.018 -20.301 1.00 4.31 C ATOM 235 CG LYS A 18 19.320 -13.344 -21.445 1.00 73.12 C ATOM 236 CD LYS A 18 20.658 -12.645 -21.279 1.00 13.51 C ATOM 237 CE LYS A 18 21.816 -13.625 -21.383 1.00 63.34 C ATOM 238 NZ LYS A 18 22.380 -13.962 -20.047 1.00 30.02 N1+ ATOM 0 H LYS A 18 16.222 -12.466 -19.006 1.00 64.45 H new ATOM 0 HA LYS A 18 16.861 -14.154 -21.323 1.00 4.14 H new ATOM 0 HB2 LYS A 18 18.101 -11.964 -20.356 1.00 4.31 H new ATOM 0 HB3 LYS A 18 18.897 -13.163 -19.356 1.00 4.31 H new ATOM 0 HG2 LYS A 18 19.475 -14.422 -21.494 1.00 73.12 H new ATOM 0 HG3 LYS A 18 18.867 -13.044 -22.390 1.00 73.12 H new ATOM 0 HD2 LYS A 18 20.764 -11.873 -22.042 1.00 13.51 H new ATOM 0 HD3 LYS A 18 20.690 -12.144 -20.312 1.00 13.51 H new ATOM 0 HE2 LYS A 18 21.477 -14.537 -21.874 1.00 63.34 H new ATOM 0 HE3 LYS A 18 22.598 -13.197 -22.010 1.00 63.34 H new ATOM 0 HZ1 LYS A 18 23.167 -14.632 -20.161 1.00 30.02 H new ATOM 0 HZ2 LYS A 18 22.727 -13.096 -19.588 1.00 30.02 H new ATOM 0 HZ3 LYS A 18 21.640 -14.394 -19.457 1.00 30.02 H new ATOM 252 N ILE A 19 16.229 -15.682 -18.950 1.00 60.14 N ATOM 253 CA ILE A 19 16.302 -16.895 -18.146 1.00 23.22 C ATOM 254 C ILE A 19 15.361 -17.968 -18.682 1.00 34.03 C ATOM 255 O ILE A 19 14.161 -17.736 -18.835 1.00 42.03 O ATOM 256 CB ILE A 19 15.956 -16.614 -16.671 1.00 70.03 C ATOM 257 CG1 ILE A 19 16.912 -15.570 -16.090 1.00 25.23 C ATOM 258 CG2 ILE A 19 16.010 -17.900 -15.860 1.00 55.31 C ATOM 259 CD1 ILE A 19 16.404 -14.926 -14.820 1.00 11.25 C ATOM 0 H ILE A 19 15.287 -15.308 -19.066 1.00 60.14 H new ATOM 0 HA ILE A 19 17.330 -17.253 -18.208 1.00 23.22 H new ATOM 0 HB ILE A 19 14.942 -16.218 -16.620 1.00 70.03 H new ATOM 0 HG12 ILE A 19 17.874 -16.042 -15.889 1.00 25.23 H new ATOM 0 HG13 ILE A 19 17.087 -14.795 -16.836 1.00 25.23 H new ATOM 0 HG21 ILE A 19 15.763 -17.685 -14.820 1.00 55.31 H new ATOM 0 HG22 ILE A 19 15.292 -18.615 -16.263 1.00 55.31 H new ATOM 0 HG23 ILE A 19 17.013 -18.323 -15.915 1.00 55.31 H new ATOM 0 HD11 ILE A 19 17.133 -14.197 -14.465 1.00 11.25 H new ATOM 0 HD12 ILE A 19 15.457 -14.425 -15.020 1.00 11.25 H new ATOM 0 HD13 ILE A 19 16.256 -15.691 -14.058 1.00 11.25 H new ATOM 271 N ARG A 20 15.912 -19.145 -18.964 1.00 15.22 N ATOM 272 CA ARG A 20 15.121 -20.254 -19.481 1.00 43.13 C ATOM 273 C ARG A 20 14.244 -20.855 -18.387 1.00 22.12 C ATOM 274 O ARG A 20 14.680 -21.016 -17.246 1.00 11.50 O ATOM 275 CB ARG A 20 16.037 -21.332 -20.065 1.00 11.51 C ATOM 276 CG ARG A 20 15.737 -21.665 -21.517 1.00 0.12 C ATOM 277 CD ARG A 20 16.860 -21.212 -22.436 1.00 53.43 C ATOM 278 NE ARG A 20 17.675 -22.332 -22.899 1.00 11.52 N ATOM 279 CZ ARG A 20 18.683 -22.203 -23.754 1.00 12.42 C ATOM 280 NH1 ARG A 20 18.999 -21.009 -24.237 1.00 64.14 N1+ ATOM 281 NH2 ARG A 20 19.378 -23.269 -24.128 1.00 24.15 N ATOM 0 H ARG A 20 16.903 -19.354 -18.843 1.00 15.22 H new ATOM 0 HA ARG A 20 14.474 -19.869 -20.269 1.00 43.13 H new ATOM 0 HB2 ARG A 20 17.072 -21.000 -19.984 1.00 11.51 H new ATOM 0 HB3 ARG A 20 15.945 -22.238 -19.467 1.00 11.51 H new ATOM 0 HG2 ARG A 20 15.591 -22.740 -21.622 1.00 0.12 H new ATOM 0 HG3 ARG A 20 14.805 -21.186 -21.816 1.00 0.12 H new ATOM 0 HD2 ARG A 20 16.437 -20.692 -23.296 1.00 53.43 H new ATOM 0 HD3 ARG A 20 17.492 -20.497 -21.910 1.00 53.43 H new ATOM 0 HE ARG A 20 17.458 -23.264 -22.546 1.00 11.52 H new ATOM 0 HH11 ARG A 20 18.467 -20.187 -23.952 1.00 64.14 H new ATOM 0 HH12 ARG A 20 19.774 -20.913 -24.893 1.00 64.14 H new ATOM 0 HH21 ARG A 20 19.138 -24.189 -23.759 1.00 24.15 H new ATOM 0 HH22 ARG A 20 20.152 -23.169 -24.785 1.00 24.15 H new ATOM 295 N LEU A 21 13.008 -21.184 -18.742 1.00 71.31 N ATOM 296 CA LEU A 21 12.068 -21.767 -17.789 1.00 41.14 C ATOM 297 C LEU A 21 12.475 -23.191 -17.425 1.00 60.31 C ATOM 298 O LEU A 21 12.309 -23.623 -16.284 1.00 44.42 O ATOM 299 CB LEU A 21 10.653 -21.762 -18.370 1.00 70.03 C ATOM 300 CG LEU A 21 10.065 -20.387 -18.691 1.00 32.44 C ATOM 301 CD1 LEU A 21 9.318 -20.422 -20.015 1.00 12.43 C ATOM 302 CD2 LEU A 21 9.144 -19.926 -17.569 1.00 63.42 C ATOM 0 H LEU A 21 12.632 -21.058 -19.682 1.00 71.31 H new ATOM 0 HA LEU A 21 12.084 -21.161 -16.883 1.00 41.14 H new ATOM 0 HB2 LEU A 21 10.655 -22.357 -19.283 1.00 70.03 H new ATOM 0 HB3 LEU A 21 9.990 -22.263 -17.665 1.00 70.03 H new ATOM 0 HG LEU A 21 10.885 -19.674 -18.778 1.00 32.44 H new ATOM 0 HD11 LEU A 21 8.907 -19.435 -20.227 1.00 12.43 H new ATOM 0 HD12 LEU A 21 10.004 -20.708 -20.812 1.00 12.43 H new ATOM 0 HD13 LEU A 21 8.507 -21.148 -19.956 1.00 12.43 H new ATOM 0 HD21 LEU A 21 8.734 -18.946 -17.814 1.00 63.42 H new ATOM 0 HD22 LEU A 21 8.329 -20.640 -17.450 1.00 63.42 H new ATOM 0 HD23 LEU A 21 9.708 -19.861 -16.639 1.00 63.42 H new ATOM 314 N ARG A 22 13.010 -23.916 -18.403 1.00 30.12 N ATOM 315 CA ARG A 22 13.442 -25.291 -18.184 1.00 64.53 C ATOM 316 C ARG A 22 14.809 -25.539 -18.815 1.00 52.20 C ATOM 317 O ARG A 22 15.216 -24.862 -19.759 1.00 4.33 O ATOM 318 CB ARG A 22 12.417 -26.269 -18.765 1.00 41.52 C ATOM 319 CG ARG A 22 11.962 -25.910 -20.170 1.00 74.13 C ATOM 320 CD ARG A 22 10.554 -25.335 -20.169 1.00 71.01 C ATOM 321 NE ARG A 22 9.885 -25.525 -21.454 1.00 32.12 N ATOM 322 CZ ARG A 22 9.385 -26.688 -21.857 1.00 74.21 C ATOM 323 NH1 ARG A 22 9.478 -27.758 -21.080 1.00 63.43 N1+ ATOM 324 NH2 ARG A 22 8.789 -26.782 -23.039 1.00 44.31 N ATOM 0 H ARG A 22 13.154 -23.574 -19.353 1.00 30.12 H new ATOM 0 HA ARG A 22 13.522 -25.453 -17.109 1.00 64.53 H new ATOM 0 HB2 ARG A 22 12.848 -27.270 -18.776 1.00 41.52 H new ATOM 0 HB3 ARG A 22 11.548 -26.304 -18.108 1.00 41.52 H new ATOM 0 HG2 ARG A 22 12.652 -25.186 -20.603 1.00 74.13 H new ATOM 0 HG3 ARG A 22 11.993 -26.798 -20.802 1.00 74.13 H new ATOM 0 HD2 ARG A 22 9.969 -25.810 -19.382 1.00 71.01 H new ATOM 0 HD3 ARG A 22 10.597 -24.271 -19.936 1.00 71.01 H new ATOM 0 HE ARG A 22 9.797 -24.721 -22.075 1.00 32.12 H new ATOM 0 HH11 ARG A 22 9.934 -27.690 -20.170 1.00 63.43 H new ATOM 0 HH12 ARG A 22 9.093 -28.650 -21.392 1.00 63.43 H new ATOM 0 HH21 ARG A 22 8.714 -25.961 -23.639 1.00 44.31 H new ATOM 0 HH22 ARG A 22 8.406 -27.676 -23.347 1.00 44.31 H new ATOM 338 N PRO A 23 15.537 -26.531 -18.281 1.00 11.10 N ATOM 339 CA PRO A 23 16.869 -26.890 -18.775 1.00 64.20 C ATOM 340 C PRO A 23 16.821 -27.536 -20.155 1.00 63.12 C ATOM 341 O PRO A 23 17.687 -27.295 -20.995 1.00 30.44 O ATOM 342 CB PRO A 23 17.376 -27.891 -17.734 1.00 13.43 C ATOM 343 CG PRO A 23 16.142 -28.476 -17.139 1.00 24.50 C ATOM 344 CD PRO A 23 15.114 -27.379 -17.154 1.00 61.22 C ATOM 0 HA PRO A 23 17.509 -26.015 -18.893 1.00 64.20 H new ATOM 0 HB2 PRO A 23 17.997 -28.660 -18.194 1.00 13.43 H new ATOM 0 HB3 PRO A 23 17.986 -27.399 -16.976 1.00 13.43 H new ATOM 0 HG2 PRO A 23 15.802 -29.337 -17.714 1.00 24.50 H new ATOM 0 HG3 PRO A 23 16.326 -28.824 -16.123 1.00 24.50 H new ATOM 0 HD2 PRO A 23 14.108 -27.773 -17.302 1.00 61.22 H new ATOM 0 HD3 PRO A 23 15.104 -26.825 -16.216 1.00 61.22 H new ATOM 352 N GLY A 24 15.801 -28.358 -20.384 1.00 4.22 N ATOM 353 CA GLY A 24 15.658 -29.026 -21.664 1.00 45.43 C ATOM 354 C GLY A 24 14.580 -28.402 -22.527 1.00 2.03 C ATOM 355 O GLY A 24 13.688 -29.094 -23.014 1.00 74.23 O ATOM 0 H GLY A 24 15.071 -28.573 -19.705 1.00 4.22 H new ATOM 0 HA2 GLY A 24 16.609 -28.993 -22.196 1.00 45.43 H new ATOM 0 HA3 GLY A 24 15.422 -30.077 -21.497 1.00 45.43 H new ATOM 359 N GLY A 25 14.660 -27.089 -22.716 1.00 2.44 N ATOM 360 CA GLY A 25 13.676 -26.392 -23.523 1.00 64.24 C ATOM 361 C GLY A 25 14.234 -25.135 -24.161 1.00 73.40 C ATOM 362 O GLY A 25 15.443 -24.903 -24.142 1.00 32.41 O ATOM 0 H GLY A 25 15.390 -26.494 -22.324 1.00 2.44 H new ATOM 0 HA2 GLY A 25 13.311 -27.060 -24.303 1.00 64.24 H new ATOM 0 HA3 GLY A 25 12.820 -26.131 -22.901 1.00 64.24 H new ATOM 366 N LYS A 26 13.350 -24.322 -24.730 1.00 43.50 N ATOM 367 CA LYS A 26 13.760 -23.081 -25.378 1.00 21.22 C ATOM 368 C LYS A 26 12.749 -21.970 -25.112 1.00 45.14 C ATOM 369 O LYS A 26 12.320 -21.274 -26.034 1.00 33.31 O ATOM 370 CB LYS A 26 13.915 -23.295 -26.886 1.00 30.13 C ATOM 371 CG LYS A 26 15.173 -24.056 -27.265 1.00 41.42 C ATOM 372 CD LYS A 26 15.969 -23.319 -28.330 1.00 43.12 C ATOM 373 CE LYS A 26 15.314 -23.438 -29.698 1.00 33.11 C ATOM 374 NZ LYS A 26 14.833 -22.120 -30.198 1.00 63.40 N1+ ATOM 0 H LYS A 26 12.346 -24.500 -24.756 1.00 43.50 H new ATOM 0 HA LYS A 26 14.721 -22.782 -24.960 1.00 21.22 H new ATOM 0 HB2 LYS A 26 13.046 -23.837 -27.259 1.00 30.13 H new ATOM 0 HB3 LYS A 26 13.923 -22.325 -27.383 1.00 30.13 H new ATOM 0 HG2 LYS A 26 15.793 -24.200 -26.380 1.00 41.42 H new ATOM 0 HG3 LYS A 26 14.904 -25.047 -27.631 1.00 41.42 H new ATOM 0 HD2 LYS A 26 16.056 -22.267 -28.058 1.00 43.12 H new ATOM 0 HD3 LYS A 26 16.981 -23.722 -28.374 1.00 43.12 H new ATOM 0 HE2 LYS A 26 16.028 -23.857 -30.407 1.00 33.11 H new ATOM 0 HE3 LYS A 26 14.476 -24.133 -29.640 1.00 33.11 H new ATOM 0 HZ1 LYS A 26 14.393 -22.243 -31.132 1.00 63.40 H new ATOM 0 HZ2 LYS A 26 14.133 -21.731 -29.534 1.00 63.40 H new ATOM 0 HZ3 LYS A 26 15.637 -21.464 -30.277 1.00 63.40 H new ATOM 388 N LYS A 27 12.373 -21.808 -23.849 1.00 53.12 N ATOM 389 CA LYS A 27 11.415 -20.779 -23.461 1.00 60.43 C ATOM 390 C LYS A 27 11.983 -19.894 -22.356 1.00 22.32 C ATOM 391 O LYS A 27 12.429 -20.389 -21.321 1.00 43.01 O ATOM 392 CB LYS A 27 10.107 -21.422 -22.993 1.00 64.11 C ATOM 393 CG LYS A 27 9.403 -22.224 -24.074 1.00 24.33 C ATOM 394 CD LYS A 27 8.537 -21.337 -24.952 1.00 71.13 C ATOM 395 CE LYS A 27 7.209 -22.002 -25.278 1.00 64.21 C ATOM 396 NZ LYS A 27 7.375 -23.137 -26.228 1.00 41.43 N1+ ATOM 0 H LYS A 27 12.717 -22.376 -23.075 1.00 53.12 H new ATOM 0 HA LYS A 27 11.216 -20.156 -24.333 1.00 60.43 H new ATOM 0 HB2 LYS A 27 10.316 -22.075 -22.146 1.00 64.11 H new ATOM 0 HB3 LYS A 27 9.435 -20.641 -22.636 1.00 64.11 H new ATOM 0 HG2 LYS A 27 10.143 -22.735 -24.690 1.00 24.33 H new ATOM 0 HG3 LYS A 27 8.786 -22.995 -23.613 1.00 24.33 H new ATOM 0 HD2 LYS A 27 8.356 -20.389 -24.446 1.00 71.13 H new ATOM 0 HD3 LYS A 27 9.068 -21.109 -25.876 1.00 71.13 H new ATOM 0 HE2 LYS A 27 6.748 -22.363 -24.358 1.00 64.21 H new ATOM 0 HE3 LYS A 27 6.530 -21.265 -25.707 1.00 64.21 H new ATOM 0 HZ1 LYS A 27 6.447 -23.564 -26.425 1.00 41.43 H new ATOM 0 HZ2 LYS A 27 7.791 -22.789 -27.115 1.00 41.43 H new ATOM 0 HZ3 LYS A 27 8.003 -23.852 -25.808 1.00 41.43 H new ATOM 410 N GLN A 28 11.962 -18.585 -22.582 1.00 11.12 N ATOM 411 CA GLN A 28 12.475 -17.633 -21.604 1.00 70.23 C ATOM 412 C GLN A 28 11.395 -17.252 -20.597 1.00 74.33 C ATOM 413 O GLN A 28 10.225 -17.599 -20.765 1.00 72.02 O ATOM 414 CB GLN A 28 12.998 -16.380 -22.308 1.00 33.04 C ATOM 415 CG GLN A 28 14.469 -16.462 -22.683 1.00 72.03 C ATOM 416 CD GLN A 28 14.838 -15.512 -23.805 1.00 61.21 C ATOM 417 OE1 GLN A 28 13.989 -14.789 -24.327 1.00 34.11 O ATOM 418 NE2 GLN A 28 16.112 -15.509 -24.183 1.00 73.42 N ATOM 0 H GLN A 28 11.595 -18.159 -23.433 1.00 11.12 H new ATOM 0 HA GLN A 28 13.295 -18.108 -21.066 1.00 70.23 H new ATOM 0 HB2 GLN A 28 12.411 -16.208 -23.210 1.00 33.04 H new ATOM 0 HB3 GLN A 28 12.845 -15.518 -21.659 1.00 33.04 H new ATOM 0 HG2 GLN A 28 15.077 -16.237 -21.807 1.00 72.03 H new ATOM 0 HG3 GLN A 28 14.707 -17.483 -22.983 1.00 72.03 H new ATOM 0 HE21 GLN A 28 16.782 -16.125 -23.723 1.00 73.42 H new ATOM 0 HE22 GLN A 28 16.420 -14.891 -24.934 1.00 73.42 H new ATOM 427 N TYR A 29 11.794 -16.537 -19.552 1.00 34.01 N ATOM 428 CA TYR A 29 10.859 -16.111 -18.515 1.00 43.21 C ATOM 429 C TYR A 29 10.180 -14.801 -18.900 1.00 50.15 C ATOM 430 O TYR A 29 10.749 -13.979 -19.619 1.00 61.22 O ATOM 431 CB TYR A 29 11.587 -15.949 -17.180 1.00 13.44 C ATOM 432 CG TYR A 29 11.462 -17.152 -16.272 1.00 45.12 C ATOM 433 CD1 TYR A 29 10.289 -17.398 -15.570 1.00 21.32 C ATOM 434 CD2 TYR A 29 12.517 -18.042 -16.117 1.00 2.42 C ATOM 435 CE1 TYR A 29 10.171 -18.496 -14.739 1.00 41.13 C ATOM 436 CE2 TYR A 29 12.408 -19.143 -15.290 1.00 73.00 C ATOM 437 CZ TYR A 29 11.233 -19.365 -14.603 1.00 51.02 C ATOM 438 OH TYR A 29 11.120 -20.460 -13.776 1.00 51.44 O ATOM 0 H TYR A 29 12.758 -16.240 -19.399 1.00 34.01 H new ATOM 0 HA TYR A 29 10.093 -16.879 -18.412 1.00 43.21 H new ATOM 0 HB2 TYR A 29 12.643 -15.758 -17.372 1.00 13.44 H new ATOM 0 HB3 TYR A 29 11.193 -15.073 -16.665 1.00 13.44 H new ATOM 0 HD1 TYR A 29 9.455 -16.720 -15.675 1.00 21.32 H new ATOM 0 HD2 TYR A 29 13.439 -17.870 -16.653 1.00 2.42 H new ATOM 0 HE1 TYR A 29 9.252 -18.672 -14.199 1.00 41.13 H new ATOM 0 HE2 TYR A 29 13.238 -19.826 -15.182 1.00 73.00 H new ATOM 0 HH TYR A 29 11.883 -21.059 -13.920 1.00 51.44 H new ATOM 448 N LYS A 30 8.958 -14.611 -18.415 1.00 72.21 N ATOM 449 CA LYS A 30 8.198 -13.400 -18.704 1.00 64.21 C ATOM 450 C LYS A 30 7.424 -12.937 -17.474 1.00 11.33 C ATOM 451 O LYS A 30 7.207 -13.708 -16.538 1.00 13.51 O ATOM 452 CB LYS A 30 7.232 -13.645 -19.865 1.00 42.33 C ATOM 453 CG LYS A 30 7.775 -13.203 -21.213 1.00 14.13 C ATOM 454 CD LYS A 30 7.209 -14.041 -22.346 1.00 73.42 C ATOM 455 CE LYS A 30 8.269 -14.943 -22.957 1.00 4.24 C ATOM 456 NZ LYS A 30 8.938 -14.302 -24.123 1.00 62.34 N1+ ATOM 0 H LYS A 30 8.472 -15.281 -17.819 1.00 72.21 H new ATOM 0 HA LYS A 30 8.902 -12.617 -18.984 1.00 64.21 H new ATOM 0 HB2 LYS A 30 6.993 -14.708 -19.910 1.00 42.33 H new ATOM 0 HB3 LYS A 30 6.299 -13.117 -19.668 1.00 42.33 H new ATOM 0 HG2 LYS A 30 7.530 -12.154 -21.378 1.00 14.13 H new ATOM 0 HG3 LYS A 30 8.862 -13.280 -21.211 1.00 14.13 H new ATOM 0 HD2 LYS A 30 6.384 -14.648 -21.973 1.00 73.42 H new ATOM 0 HD3 LYS A 30 6.800 -13.386 -23.115 1.00 73.42 H new ATOM 0 HE2 LYS A 30 9.015 -15.190 -22.201 1.00 4.24 H new ATOM 0 HE3 LYS A 30 7.811 -15.881 -23.272 1.00 4.24 H new ATOM 0 HZ1 LYS A 30 9.654 -14.949 -24.511 1.00 62.34 H new ATOM 0 HZ2 LYS A 30 8.231 -14.089 -24.855 1.00 62.34 H new ATOM 0 HZ3 LYS A 30 9.397 -13.420 -23.818 1.00 62.34 H new ATOM 470 N LEU A 31 7.010 -11.674 -17.483 1.00 31.12 N ATOM 471 CA LEU A 31 6.259 -11.108 -16.368 1.00 61.04 C ATOM 472 C LEU A 31 5.062 -11.985 -16.017 1.00 61.12 C ATOM 473 O LEU A 31 4.644 -12.051 -14.861 1.00 54.12 O ATOM 474 CB LEU A 31 5.786 -9.695 -16.712 1.00 0.50 C ATOM 475 CG LEU A 31 6.068 -8.619 -15.661 1.00 74.14 C ATOM 476 CD1 LEU A 31 5.469 -9.013 -14.321 1.00 35.05 C ATOM 477 CD2 LEU A 31 7.565 -8.382 -15.530 1.00 54.53 C ATOM 0 H LEU A 31 7.182 -11.023 -18.250 1.00 31.12 H new ATOM 0 HA LEU A 31 6.920 -11.063 -15.502 1.00 61.04 H new ATOM 0 HB2 LEU A 31 6.257 -9.393 -17.648 1.00 0.50 H new ATOM 0 HB3 LEU A 31 4.711 -9.727 -16.892 1.00 0.50 H new ATOM 0 HG LEU A 31 5.600 -7.689 -15.985 1.00 74.14 H new ATOM 0 HD11 LEU A 31 5.679 -8.236 -13.586 1.00 35.05 H new ATOM 0 HD12 LEU A 31 4.390 -9.131 -14.425 1.00 35.05 H new ATOM 0 HD13 LEU A 31 5.907 -9.954 -13.989 1.00 35.05 H new ATOM 0 HD21 LEU A 31 7.747 -7.614 -14.778 1.00 54.53 H new ATOM 0 HD22 LEU A 31 8.055 -9.308 -15.229 1.00 54.53 H new ATOM 0 HD23 LEU A 31 7.967 -8.054 -16.489 1.00 54.53 H new ATOM 489 N LYS A 32 4.515 -12.661 -17.022 1.00 53.12 N ATOM 490 CA LYS A 32 3.368 -13.538 -16.821 1.00 35.35 C ATOM 491 C LYS A 32 3.629 -14.526 -15.689 1.00 2.54 C ATOM 492 O LYS A 32 2.714 -14.910 -14.961 1.00 12.51 O ATOM 493 CB LYS A 32 3.047 -14.297 -18.110 1.00 30.03 C ATOM 494 CG LYS A 32 1.867 -15.245 -17.981 1.00 4.12 C ATOM 495 CD LYS A 32 1.718 -16.120 -19.213 1.00 60.42 C ATOM 496 CE LYS A 32 0.462 -15.769 -19.998 1.00 2.01 C ATOM 497 NZ LYS A 32 0.438 -16.433 -21.331 1.00 14.11 N1+ ATOM 0 H LYS A 32 4.848 -12.618 -17.985 1.00 53.12 H new ATOM 0 HA LYS A 32 2.513 -12.918 -16.549 1.00 35.35 H new ATOM 0 HB2 LYS A 32 2.840 -13.578 -18.903 1.00 30.03 H new ATOM 0 HB3 LYS A 32 3.926 -14.864 -18.416 1.00 30.03 H new ATOM 0 HG2 LYS A 32 1.999 -15.874 -17.101 1.00 4.12 H new ATOM 0 HG3 LYS A 32 0.953 -14.671 -17.829 1.00 4.12 H new ATOM 0 HD2 LYS A 32 2.593 -16.002 -19.852 1.00 60.42 H new ATOM 0 HD3 LYS A 32 1.681 -17.168 -18.914 1.00 60.42 H new ATOM 0 HE2 LYS A 32 -0.418 -16.067 -19.428 1.00 2.01 H new ATOM 0 HE3 LYS A 32 0.406 -14.688 -20.129 1.00 2.01 H new ATOM 0 HZ1 LYS A 32 -0.433 -16.169 -21.835 1.00 14.11 H new ATOM 0 HZ2 LYS A 32 1.264 -16.129 -21.885 1.00 14.11 H new ATOM 0 HZ3 LYS A 32 0.466 -17.465 -21.205 1.00 14.11 H new ATOM 511 N HIS A 33 4.887 -14.934 -15.545 1.00 63.14 N ATOM 512 CA HIS A 33 5.272 -15.876 -14.500 1.00 74.21 C ATOM 513 C HIS A 33 5.479 -15.157 -13.170 1.00 51.42 C ATOM 514 O HIS A 33 5.052 -15.708 -12.155 1.00 61.14 O ATOM 515 CB HIS A 33 6.549 -16.618 -14.896 1.00 74.44 C ATOM 516 CG HIS A 33 6.517 -17.161 -16.292 1.00 50.12 C ATOM 517 ND1 HIS A 33 7.483 -16.875 -17.233 1.00 24.15 N ATOM 518 CD2 HIS A 33 5.627 -17.977 -16.905 1.00 0.13 C ATOM 519 CE1 HIS A 33 7.189 -17.491 -18.363 1.00 23.21 C ATOM 520 NE2 HIS A 33 6.068 -18.168 -18.190 1.00 54.31 N ATOM 0 H HIS A 33 5.657 -14.627 -16.139 1.00 63.14 H new ATOM 0 HA HIS A 33 4.464 -16.598 -14.381 1.00 74.21 H new ATOM 0 HB2 HIS A 33 7.398 -15.942 -14.797 1.00 74.44 H new ATOM 0 HB3 HIS A 33 6.713 -17.440 -14.199 1.00 74.44 H new ATOM 0 HD2 HIS A 33 4.736 -18.399 -16.464 1.00 0.13 H new ATOM 0 HE1 HIS A 33 7.767 -17.449 -19.274 1.00 23.21 H new ATOM 0 HE2 HIS A 33 5.605 -18.740 -18.897 1.00 54.31 H new ATOM 528 N ILE A 34 6.102 -13.982 -13.149 1.00 23.33 N ATOM 529 CA ILE A 34 6.322 -13.258 -11.903 1.00 3.20 C ATOM 530 C ILE A 34 4.999 -12.901 -11.234 1.00 2.40 C ATOM 531 O ILE A 34 4.881 -12.940 -10.009 1.00 74.24 O ATOM 532 CB ILE A 34 7.131 -11.969 -12.137 1.00 4.10 C ATOM 533 CG1 ILE A 34 8.481 -12.297 -12.779 1.00 63.11 C ATOM 534 CG2 ILE A 34 7.329 -11.222 -10.827 1.00 31.13 C ATOM 535 CD1 ILE A 34 9.165 -11.097 -13.395 1.00 53.45 C ATOM 0 H ILE A 34 6.462 -13.512 -13.980 1.00 23.33 H new ATOM 0 HA ILE A 34 6.890 -13.920 -11.249 1.00 3.20 H new ATOM 0 HB ILE A 34 6.573 -11.326 -12.818 1.00 4.10 H new ATOM 0 HG12 ILE A 34 9.137 -12.731 -12.024 1.00 63.11 H new ATOM 0 HG13 ILE A 34 8.334 -13.055 -13.548 1.00 63.11 H new ATOM 0 HG21 ILE A 34 7.903 -10.313 -11.009 1.00 31.13 H new ATOM 0 HG22 ILE A 34 6.358 -10.960 -10.407 1.00 31.13 H new ATOM 0 HG23 ILE A 34 7.869 -11.857 -10.124 1.00 31.13 H new ATOM 0 HD11 ILE A 34 10.116 -11.404 -13.831 1.00 53.45 H new ATOM 0 HD12 ILE A 34 8.529 -10.675 -14.173 1.00 53.45 H new ATOM 0 HD13 ILE A 34 9.344 -10.346 -12.626 1.00 53.45 H new ATOM 547 N VAL A 35 4.006 -12.553 -12.046 1.00 44.22 N ATOM 548 CA VAL A 35 2.691 -12.191 -11.533 1.00 50.25 C ATOM 549 C VAL A 35 1.960 -13.412 -10.983 1.00 1.31 C ATOM 550 O VAL A 35 1.293 -13.335 -9.951 1.00 4.34 O ATOM 551 CB VAL A 35 1.823 -11.537 -12.625 1.00 22.45 C ATOM 552 CG1 VAL A 35 0.445 -11.196 -12.079 1.00 15.41 C ATOM 553 CG2 VAL A 35 2.509 -10.298 -13.178 1.00 12.22 C ATOM 0 H VAL A 35 4.088 -12.514 -13.062 1.00 44.22 H new ATOM 0 HA VAL A 35 2.852 -11.474 -10.728 1.00 50.25 H new ATOM 0 HB VAL A 35 1.697 -12.249 -13.441 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -0.154 -10.735 -12.865 1.00 15.41 H new ATOM 0 HG12 VAL A 35 -0.046 -12.107 -11.736 1.00 15.41 H new ATOM 0 HG13 VAL A 35 0.546 -10.502 -11.245 1.00 15.41 H new ATOM 0 HG21 VAL A 35 1.882 -9.848 -13.948 1.00 12.22 H new ATOM 0 HG22 VAL A 35 2.667 -9.580 -12.373 1.00 12.22 H new ATOM 0 HG23 VAL A 35 3.471 -10.576 -13.609 1.00 12.22 H new ATOM 563 N TRP A 36 2.093 -14.535 -11.677 1.00 32.41 N ATOM 564 CA TRP A 36 1.446 -15.773 -11.257 1.00 31.21 C ATOM 565 C TRP A 36 1.827 -16.128 -9.823 1.00 51.15 C ATOM 566 O TRP A 36 0.961 -16.326 -8.973 1.00 72.42 O ATOM 567 CB TRP A 36 1.829 -16.918 -12.198 1.00 11.14 C ATOM 568 CG TRP A 36 1.261 -18.242 -11.784 1.00 55.52 C ATOM 569 CD1 TRP A 36 -0.010 -18.692 -12.002 1.00 20.34 C ATOM 570 CD2 TRP A 36 1.943 -19.285 -11.080 1.00 11.55 C ATOM 571 NE1 TRP A 36 -0.158 -19.953 -11.476 1.00 33.43 N ATOM 572 CE2 TRP A 36 1.025 -20.339 -10.905 1.00 13.33 C ATOM 573 CE3 TRP A 36 3.241 -19.432 -10.582 1.00 31.25 C ATOM 574 CZ2 TRP A 36 1.365 -21.521 -10.252 1.00 64.21 C ATOM 575 CZ3 TRP A 36 3.576 -20.605 -9.934 1.00 11.02 C ATOM 576 CH2 TRP A 36 2.643 -21.638 -9.774 1.00 72.55 C ATOM 0 H TRP A 36 2.642 -14.615 -12.533 1.00 32.41 H new ATOM 0 HA TRP A 36 0.367 -15.622 -11.300 1.00 31.21 H new ATOM 0 HB2 TRP A 36 1.485 -16.682 -13.205 1.00 11.14 H new ATOM 0 HB3 TRP A 36 2.915 -16.995 -12.242 1.00 11.14 H new ATOM 0 HD1 TRP A 36 -0.784 -18.139 -12.512 1.00 20.34 H new ATOM 0 HE1 TRP A 36 -1.011 -20.511 -11.506 1.00 33.43 H new ATOM 0 HE3 TRP A 36 3.969 -18.643 -10.702 1.00 31.25 H new ATOM 0 HZ2 TRP A 36 0.646 -22.317 -10.127 1.00 64.21 H new ATOM 0 HZ3 TRP A 36 4.575 -20.728 -9.544 1.00 11.02 H new ATOM 0 HH2 TRP A 36 2.937 -22.543 -9.264 1.00 72.55 H new ATOM 587 N ALA A 37 3.127 -16.205 -9.563 1.00 0.51 N ATOM 588 CA ALA A 37 3.622 -16.533 -8.232 1.00 51.13 C ATOM 589 C ALA A 37 3.001 -15.624 -7.177 1.00 30.01 C ATOM 590 O ALA A 37 2.653 -16.073 -6.084 1.00 70.33 O ATOM 591 CB ALA A 37 5.140 -16.431 -8.193 1.00 12.54 C ATOM 0 H ALA A 37 3.857 -16.045 -10.257 1.00 0.51 H new ATOM 0 HA ALA A 37 3.333 -17.559 -8.006 1.00 51.13 H new ATOM 0 HB1 ALA A 37 5.496 -16.679 -7.193 1.00 12.54 H new ATOM 0 HB2 ALA A 37 5.570 -17.127 -8.914 1.00 12.54 H new ATOM 0 HB3 ALA A 37 5.443 -15.415 -8.444 1.00 12.54 H new ATOM 597 N SER A 38 2.866 -14.345 -7.509 1.00 3.55 N ATOM 598 CA SER A 38 2.291 -13.372 -6.587 1.00 4.21 C ATOM 599 C SER A 38 0.898 -13.804 -6.141 1.00 32.14 C ATOM 600 O SER A 38 0.563 -13.734 -4.958 1.00 3.23 O ATOM 601 CB SER A 38 2.223 -11.993 -7.246 1.00 13.44 C ATOM 602 OG SER A 38 0.897 -11.681 -7.639 1.00 41.43 O ATOM 0 H SER A 38 3.147 -13.958 -8.410 1.00 3.55 H new ATOM 0 HA SER A 38 2.934 -13.316 -5.708 1.00 4.21 H new ATOM 0 HB2 SER A 38 2.588 -11.236 -6.552 1.00 13.44 H new ATOM 0 HB3 SER A 38 2.879 -11.969 -8.116 1.00 13.44 H new ATOM 0 HG SER A 38 0.685 -12.147 -8.475 1.00 41.43 H new ATOM 608 N ARG A 39 0.090 -14.252 -7.096 1.00 62.13 N ATOM 609 CA ARG A 39 -1.268 -14.696 -6.802 1.00 54.32 C ATOM 610 C ARG A 39 -1.254 -15.973 -5.968 1.00 52.41 C ATOM 611 O ARG A 39 -2.198 -16.253 -5.230 1.00 31.43 O ATOM 612 CB ARG A 39 -2.043 -14.929 -8.100 1.00 50.23 C ATOM 613 CG ARG A 39 -2.825 -13.714 -8.570 1.00 34.30 C ATOM 614 CD ARG A 39 -3.842 -14.085 -9.638 1.00 41.35 C ATOM 615 NE ARG A 39 -4.926 -14.904 -9.103 1.00 12.25 N ATOM 616 CZ ARG A 39 -5.914 -14.419 -8.358 1.00 60.22 C ATOM 617 NH1 ARG A 39 -5.955 -13.127 -8.065 1.00 30.21 N1+ ATOM 618 NH2 ARG A 39 -6.864 -15.228 -7.907 1.00 30.01 N ATOM 0 H ARG A 39 0.352 -14.317 -8.080 1.00 62.13 H new ATOM 0 HA ARG A 39 -1.763 -13.913 -6.227 1.00 54.32 H new ATOM 0 HB2 ARG A 39 -1.344 -15.225 -8.882 1.00 50.23 H new ATOM 0 HB3 ARG A 39 -2.733 -15.761 -7.957 1.00 50.23 H new ATOM 0 HG2 ARG A 39 -3.336 -13.259 -7.722 1.00 34.30 H new ATOM 0 HG3 ARG A 39 -2.136 -12.967 -8.966 1.00 34.30 H new ATOM 0 HD2 ARG A 39 -4.256 -13.176 -10.075 1.00 41.35 H new ATOM 0 HD3 ARG A 39 -3.342 -14.626 -10.442 1.00 41.35 H new ATOM 0 HE ARG A 39 -4.925 -15.902 -9.312 1.00 12.25 H new ATOM 0 HH11 ARG A 39 -5.227 -12.502 -8.412 1.00 30.21 H new ATOM 0 HH12 ARG A 39 -6.714 -12.758 -7.493 1.00 30.21 H new ATOM 0 HH21 ARG A 39 -6.836 -16.222 -8.132 1.00 30.01 H new ATOM 0 HH22 ARG A 39 -7.622 -14.855 -7.335 1.00 30.01 H new ATOM 632 N GLU A 40 -0.179 -16.743 -6.093 1.00 63.20 N ATOM 633 CA GLU A 40 -0.044 -17.992 -5.350 1.00 43.25 C ATOM 634 C GLU A 40 0.483 -17.734 -3.943 1.00 33.02 C ATOM 635 O GLU A 40 0.198 -18.489 -3.012 1.00 64.11 O ATOM 636 CB GLU A 40 0.892 -18.951 -6.089 1.00 43.14 C ATOM 637 CG GLU A 40 0.301 -20.335 -6.303 1.00 54.25 C ATOM 638 CD GLU A 40 0.133 -21.105 -5.008 1.00 13.43 C ATOM 639 OE1 GLU A 40 -0.776 -20.758 -4.224 1.00 45.20 O1- ATOM 640 OE2 GLU A 40 0.912 -22.053 -4.778 1.00 22.20 O ATOM 0 H GLU A 40 0.611 -16.526 -6.701 1.00 63.20 H new ATOM 0 HA GLU A 40 -1.031 -18.447 -5.271 1.00 43.25 H new ATOM 0 HB2 GLU A 40 1.148 -18.521 -7.057 1.00 43.14 H new ATOM 0 HB3 GLU A 40 1.821 -19.045 -5.526 1.00 43.14 H new ATOM 0 HG2 GLU A 40 -0.668 -20.240 -6.793 1.00 54.25 H new ATOM 0 HG3 GLU A 40 0.945 -20.901 -6.977 1.00 54.25 H new ATOM 647 N LEU A 41 1.253 -16.662 -3.793 1.00 11.51 N ATOM 648 CA LEU A 41 1.821 -16.303 -2.498 1.00 52.11 C ATOM 649 C LEU A 41 0.724 -15.918 -1.509 1.00 42.51 C ATOM 650 O LEU A 41 0.688 -16.415 -0.384 1.00 41.44 O ATOM 651 CB LEU A 41 2.809 -15.146 -2.655 1.00 43.02 C ATOM 652 CG LEU A 41 4.262 -15.537 -2.930 1.00 11.32 C ATOM 653 CD1 LEU A 41 5.121 -14.297 -3.127 1.00 61.32 C ATOM 654 CD2 LEU A 41 4.808 -16.391 -1.795 1.00 61.24 C ATOM 0 H LEU A 41 1.498 -16.026 -4.552 1.00 11.51 H new ATOM 0 HA LEU A 41 2.348 -17.173 -2.107 1.00 52.11 H new ATOM 0 HB2 LEU A 41 2.465 -14.509 -3.469 1.00 43.02 H new ATOM 0 HB3 LEU A 41 2.781 -14.545 -1.746 1.00 43.02 H new ATOM 0 HG LEU A 41 4.292 -16.124 -3.848 1.00 11.32 H new ATOM 0 HD11 LEU A 41 6.151 -14.595 -3.321 1.00 61.32 H new ATOM 0 HD12 LEU A 41 4.743 -13.723 -3.973 1.00 61.32 H new ATOM 0 HD13 LEU A 41 5.085 -13.683 -2.227 1.00 61.32 H new ATOM 0 HD21 LEU A 41 5.843 -16.660 -2.007 1.00 61.24 H new ATOM 0 HD22 LEU A 41 4.763 -15.828 -0.862 1.00 61.24 H new ATOM 0 HD23 LEU A 41 4.209 -17.297 -1.701 1.00 61.24 H new ATOM 666 N GLU A 42 -0.169 -15.033 -1.940 1.00 5.33 N ATOM 667 CA GLU A 42 -1.267 -14.584 -1.092 1.00 51.43 C ATOM 668 C GLU A 42 -2.078 -15.770 -0.579 1.00 52.34 C ATOM 669 O GLU A 42 -2.703 -15.696 0.479 1.00 23.01 O ATOM 670 CB GLU A 42 -2.177 -13.625 -1.864 1.00 41.13 C ATOM 671 CG GLU A 42 -2.259 -12.237 -1.251 1.00 50.23 C ATOM 672 CD GLU A 42 -3.287 -11.357 -1.935 1.00 61.15 C ATOM 673 OE1 GLU A 42 -4.352 -11.880 -2.325 1.00 33.14 O1- ATOM 674 OE2 GLU A 42 -3.026 -10.145 -2.082 1.00 71.21 O ATOM 0 H GLU A 42 -0.154 -14.613 -2.870 1.00 5.33 H new ATOM 0 HA GLU A 42 -0.841 -14.060 -0.236 1.00 51.43 H new ATOM 0 HB2 GLU A 42 -1.815 -13.540 -2.889 1.00 41.13 H new ATOM 0 HB3 GLU A 42 -3.179 -14.050 -1.915 1.00 41.13 H new ATOM 0 HG2 GLU A 42 -2.508 -12.325 -0.193 1.00 50.23 H new ATOM 0 HG3 GLU A 42 -1.281 -11.760 -1.310 1.00 50.23 H new ATOM 681 N ARG A 43 -2.064 -16.862 -1.337 1.00 53.12 N ATOM 682 CA ARG A 43 -2.799 -18.062 -0.960 1.00 24.21 C ATOM 683 C ARG A 43 -2.132 -18.760 0.223 1.00 13.22 C ATOM 684 O ARG A 43 -2.795 -19.427 1.017 1.00 41.13 O ATOM 685 CB ARG A 43 -2.889 -19.024 -2.147 1.00 14.01 C ATOM 686 CG ARG A 43 -4.306 -19.479 -2.454 1.00 70.32 C ATOM 687 CD ARG A 43 -4.910 -18.686 -3.603 1.00 64.11 C ATOM 688 NE ARG A 43 -6.168 -19.265 -4.067 1.00 2.45 N ATOM 689 CZ ARG A 43 -7.000 -18.645 -4.896 1.00 34.44 C ATOM 690 NH1 ARG A 43 -6.709 -17.433 -5.351 1.00 30.41 N1+ ATOM 691 NH2 ARG A 43 -8.126 -19.237 -5.273 1.00 54.41 N ATOM 0 H ARG A 43 -1.552 -16.940 -2.216 1.00 53.12 H new ATOM 0 HA ARG A 43 -3.805 -17.763 -0.664 1.00 24.21 H new ATOM 0 HB2 ARG A 43 -2.473 -18.539 -3.030 1.00 14.01 H new ATOM 0 HB3 ARG A 43 -2.271 -19.899 -1.943 1.00 14.01 H new ATOM 0 HG2 ARG A 43 -4.302 -20.540 -2.705 1.00 70.32 H new ATOM 0 HG3 ARG A 43 -4.927 -19.364 -1.565 1.00 70.32 H new ATOM 0 HD2 ARG A 43 -5.080 -17.658 -3.284 1.00 64.11 H new ATOM 0 HD3 ARG A 43 -4.201 -18.649 -4.430 1.00 64.11 H new ATOM 0 HE ARG A 43 -6.421 -20.196 -3.736 1.00 2.45 H new ATOM 0 HH11 ARG A 43 -5.844 -16.975 -5.064 1.00 30.41 H new ATOM 0 HH12 ARG A 43 -7.350 -16.960 -5.988 1.00 30.41 H new ATOM 0 HH21 ARG A 43 -8.353 -20.169 -4.926 1.00 54.41 H new ATOM 0 HH22 ARG A 43 -8.764 -18.760 -5.910 1.00 54.41 H new ATOM 705 N PHE A 44 -0.818 -18.599 0.334 1.00 64.04 N ATOM 706 CA PHE A 44 -0.061 -19.214 1.418 1.00 54.15 C ATOM 707 C PHE A 44 0.142 -18.229 2.565 1.00 13.23 C ATOM 708 O PHE A 44 1.102 -18.336 3.327 1.00 22.43 O ATOM 709 CB PHE A 44 1.295 -19.706 0.908 1.00 51.33 C ATOM 710 CG PHE A 44 1.217 -21.005 0.157 1.00 33.11 C ATOM 711 CD1 PHE A 44 0.620 -22.116 0.731 1.00 41.14 C ATOM 712 CD2 PHE A 44 1.740 -21.114 -1.121 1.00 21.31 C ATOM 713 CE1 PHE A 44 0.548 -23.313 0.043 1.00 15.53 C ATOM 714 CE2 PHE A 44 1.670 -22.309 -1.813 1.00 44.53 C ATOM 715 CZ PHE A 44 1.073 -23.409 -1.231 1.00 73.12 C ATOM 0 H PHE A 44 -0.255 -18.048 -0.314 1.00 64.04 H new ATOM 0 HA PHE A 44 -0.632 -20.065 1.789 1.00 54.15 H new ATOM 0 HB2 PHE A 44 1.728 -18.945 0.258 1.00 51.33 H new ATOM 0 HB3 PHE A 44 1.971 -19.825 1.754 1.00 51.33 H new ATOM 0 HD1 PHE A 44 0.207 -22.046 1.726 1.00 41.14 H new ATOM 0 HD2 PHE A 44 2.207 -20.256 -1.582 1.00 21.31 H new ATOM 0 HE1 PHE A 44 0.082 -24.172 0.501 1.00 15.53 H new ATOM 0 HE2 PHE A 44 2.082 -22.382 -2.809 1.00 44.53 H new ATOM 0 HZ PHE A 44 1.016 -24.343 -1.771 1.00 73.12 H new ATOM 725 N ALA A 45 -0.769 -17.267 2.681 1.00 21.31 N ATOM 726 CA ALA A 45 -0.692 -16.264 3.735 1.00 11.01 C ATOM 727 C ALA A 45 0.558 -15.404 3.584 1.00 23.33 C ATOM 728 O ALA A 45 1.031 -14.803 4.549 1.00 22.42 O ATOM 729 CB ALA A 45 -0.714 -16.933 5.102 1.00 2.42 C ATOM 0 H ALA A 45 -1.569 -17.162 2.057 1.00 21.31 H new ATOM 0 HA ALA A 45 -1.561 -15.612 3.648 1.00 11.01 H new ATOM 0 HB1 ALA A 45 -0.656 -16.172 5.880 1.00 2.42 H new ATOM 0 HB2 ALA A 45 -1.639 -17.498 5.216 1.00 2.42 H new ATOM 0 HB3 ALA A 45 0.137 -17.608 5.190 1.00 2.42 H new ATOM 735 N VAL A 46 1.090 -15.351 2.367 1.00 50.22 N ATOM 736 CA VAL A 46 2.286 -14.564 2.090 1.00 50.20 C ATOM 737 C VAL A 46 1.991 -13.450 1.091 1.00 32.22 C ATOM 738 O VAL A 46 1.408 -13.688 0.035 1.00 31.13 O ATOM 739 CB VAL A 46 3.423 -15.446 1.538 1.00 74.14 C ATOM 740 CG1 VAL A 46 4.644 -14.600 1.210 1.00 73.20 C ATOM 741 CG2 VAL A 46 3.774 -16.543 2.530 1.00 4.54 C ATOM 0 H VAL A 46 0.712 -15.843 1.558 1.00 50.22 H new ATOM 0 HA VAL A 46 2.603 -14.125 3.036 1.00 50.20 H new ATOM 0 HB VAL A 46 3.080 -15.917 0.617 1.00 74.14 H new ATOM 0 HG11 VAL A 46 5.436 -15.240 0.822 1.00 73.20 H new ATOM 0 HG12 VAL A 46 4.379 -13.854 0.460 1.00 73.20 H new ATOM 0 HG13 VAL A 46 4.992 -14.099 2.113 1.00 73.20 H new ATOM 0 HG21 VAL A 46 4.579 -17.156 2.124 1.00 4.54 H new ATOM 0 HG22 VAL A 46 4.098 -16.094 3.469 1.00 4.54 H new ATOM 0 HG23 VAL A 46 2.898 -17.166 2.709 1.00 4.54 H new ATOM 751 N ASN A 47 2.399 -12.232 1.434 1.00 24.14 N ATOM 752 CA ASN A 47 2.179 -11.081 0.568 1.00 41.23 C ATOM 753 C ASN A 47 3.095 -11.134 -0.652 1.00 73.01 C ATOM 754 O ASN A 47 4.254 -11.539 -0.572 1.00 24.25 O ATOM 755 CB ASN A 47 2.417 -9.782 1.341 1.00 62.11 C ATOM 756 CG ASN A 47 1.230 -8.842 1.271 1.00 54.11 C ATOM 757 OD1 ASN A 47 0.170 -9.119 1.832 1.00 71.33 O ATOM 758 ND2 ASN A 47 1.402 -7.721 0.579 1.00 61.32 N ATOM 0 H ASN A 47 2.884 -12.018 2.306 1.00 24.14 H new ATOM 0 HA ASN A 47 1.145 -11.109 0.225 1.00 41.23 H new ATOM 0 HB2 ASN A 47 2.630 -10.017 2.384 1.00 62.11 H new ATOM 0 HB3 ASN A 47 3.298 -9.281 0.941 1.00 62.11 H new ATOM 0 HD21 ASN A 47 0.638 -7.050 0.497 1.00 61.32 H new ATOM 0 HD22 ASN A 47 2.298 -7.531 0.130 1.00 61.32 H new ATOM 765 N PRO A 48 2.563 -10.715 -1.809 1.00 53.33 N ATOM 766 CA PRO A 48 3.314 -10.704 -3.068 1.00 42.54 C ATOM 767 C PRO A 48 4.414 -9.647 -3.078 1.00 71.41 C ATOM 768 O PRO A 48 5.238 -9.605 -3.989 1.00 42.52 O ATOM 769 CB PRO A 48 2.247 -10.375 -4.116 1.00 33.41 C ATOM 770 CG PRO A 48 1.195 -9.634 -3.365 1.00 23.13 C ATOM 771 CD PRO A 48 1.186 -10.219 -1.979 1.00 13.53 C ATOM 0 HA PRO A 48 3.827 -11.650 -3.244 1.00 42.54 H new ATOM 0 HB2 PRO A 48 2.658 -9.769 -4.923 1.00 33.41 H new ATOM 0 HB3 PRO A 48 1.846 -11.281 -4.570 1.00 33.41 H new ATOM 0 HG2 PRO A 48 1.414 -8.567 -3.337 1.00 23.13 H new ATOM 0 HG3 PRO A 48 0.222 -9.747 -3.843 1.00 23.13 H new ATOM 0 HD2 PRO A 48 0.933 -9.470 -1.228 1.00 13.53 H new ATOM 0 HD3 PRO A 48 0.455 -11.022 -1.887 1.00 13.53 H new ATOM 779 N GLY A 49 4.420 -8.797 -2.056 1.00 54.53 N ATOM 780 CA GLY A 49 5.422 -7.752 -1.967 1.00 24.13 C ATOM 781 C GLY A 49 6.712 -8.239 -1.336 1.00 71.11 C ATOM 782 O GLY A 49 7.576 -7.439 -0.975 1.00 43.11 O ATOM 0 H GLY A 49 3.749 -8.814 -1.288 1.00 54.53 H new ATOM 0 HA2 GLY A 49 5.632 -7.368 -2.965 1.00 24.13 H new ATOM 0 HA3 GLY A 49 5.026 -6.922 -1.382 1.00 24.13 H new ATOM 786 N LEU A 50 6.843 -9.554 -1.201 1.00 13.00 N ATOM 787 CA LEU A 50 8.036 -10.148 -0.606 1.00 51.32 C ATOM 788 C LEU A 50 9.022 -10.584 -1.685 1.00 54.44 C ATOM 789 O LEU A 50 10.228 -10.659 -1.446 1.00 73.03 O ATOM 790 CB LEU A 50 7.654 -11.345 0.266 1.00 54.40 C ATOM 791 CG LEU A 50 6.755 -11.042 1.465 1.00 15.00 C ATOM 792 CD1 LEU A 50 6.559 -12.288 2.314 1.00 43.03 C ATOM 793 CD2 LEU A 50 7.342 -9.913 2.300 1.00 42.10 C ATOM 0 H LEU A 50 6.138 -10.230 -1.495 1.00 13.00 H new ATOM 0 HA LEU A 50 8.516 -9.393 0.016 1.00 51.32 H new ATOM 0 HB2 LEU A 50 7.152 -12.081 -0.362 1.00 54.40 H new ATOM 0 HB3 LEU A 50 8.570 -11.809 0.632 1.00 54.40 H new ATOM 0 HG LEU A 50 5.781 -10.724 1.093 1.00 15.00 H new ATOM 0 HD11 LEU A 50 5.917 -12.053 3.163 1.00 43.03 H new ATOM 0 HD12 LEU A 50 6.094 -13.069 1.712 1.00 43.03 H new ATOM 0 HD13 LEU A 50 7.526 -12.637 2.677 1.00 43.03 H new ATOM 0 HD21 LEU A 50 6.689 -9.711 3.149 1.00 42.10 H new ATOM 0 HD22 LEU A 50 8.328 -10.203 2.662 1.00 42.10 H new ATOM 0 HD23 LEU A 50 7.430 -9.015 1.688 1.00 42.10 H new ATOM 805 N LEU A 51 8.502 -10.868 -2.874 1.00 75.53 N ATOM 806 CA LEU A 51 9.336 -11.295 -3.992 1.00 45.21 C ATOM 807 C LEU A 51 10.256 -10.166 -4.446 1.00 40.22 C ATOM 808 O LEU A 51 11.318 -10.411 -5.019 1.00 72.31 O ATOM 809 CB LEU A 51 8.463 -11.758 -5.159 1.00 11.12 C ATOM 810 CG LEU A 51 7.480 -12.890 -4.855 1.00 0.21 C ATOM 811 CD1 LEU A 51 6.323 -12.871 -5.841 1.00 75.01 C ATOM 812 CD2 LEU A 51 8.191 -14.235 -4.888 1.00 62.52 C ATOM 0 H LEU A 51 7.507 -10.810 -3.089 1.00 75.53 H new ATOM 0 HA LEU A 51 9.952 -12.129 -3.656 1.00 45.21 H new ATOM 0 HB2 LEU A 51 7.897 -10.901 -5.526 1.00 11.12 H new ATOM 0 HB3 LEU A 51 9.116 -12.079 -5.970 1.00 11.12 H new ATOM 0 HG LEU A 51 7.078 -12.739 -3.853 1.00 0.21 H new ATOM 0 HD11 LEU A 51 5.634 -13.683 -5.609 1.00 75.01 H new ATOM 0 HD12 LEU A 51 5.798 -11.918 -5.768 1.00 75.01 H new ATOM 0 HD13 LEU A 51 6.706 -12.998 -6.854 1.00 75.01 H new ATOM 0 HD21 LEU A 51 7.477 -15.029 -4.670 1.00 62.52 H new ATOM 0 HD22 LEU A 51 8.621 -14.395 -5.877 1.00 62.52 H new ATOM 0 HD23 LEU A 51 8.985 -14.245 -4.141 1.00 62.52 H new ATOM 824 N GLU A 52 9.842 -8.931 -4.185 1.00 72.04 N ATOM 825 CA GLU A 52 10.630 -7.764 -4.568 1.00 22.45 C ATOM 826 C GLU A 52 11.812 -7.574 -3.621 1.00 55.23 C ATOM 827 O GLU A 52 12.660 -6.706 -3.835 1.00 44.21 O ATOM 828 CB GLU A 52 9.756 -6.509 -4.569 1.00 54.10 C ATOM 829 CG GLU A 52 9.279 -6.097 -3.187 1.00 73.40 C ATOM 830 CD GLU A 52 9.909 -4.802 -2.713 1.00 33.30 C ATOM 831 OE1 GLU A 52 11.106 -4.587 -2.995 1.00 55.40 O1- ATOM 832 OE2 GLU A 52 9.204 -4.004 -2.060 1.00 51.33 O ATOM 0 H GLU A 52 8.966 -8.712 -3.710 1.00 72.04 H new ATOM 0 HA GLU A 52 11.015 -7.930 -5.574 1.00 22.45 H new ATOM 0 HB2 GLU A 52 10.318 -5.686 -5.010 1.00 54.10 H new ATOM 0 HB3 GLU A 52 8.889 -6.681 -5.207 1.00 54.10 H new ATOM 0 HG2 GLU A 52 8.195 -5.986 -3.200 1.00 73.40 H new ATOM 0 HG3 GLU A 52 9.510 -6.890 -2.476 1.00 73.40 H new ATOM 839 N THR A 53 11.860 -8.389 -2.573 1.00 25.13 N ATOM 840 CA THR A 53 12.936 -8.309 -1.592 1.00 62.03 C ATOM 841 C THR A 53 13.715 -9.618 -1.523 1.00 32.12 C ATOM 842 O THR A 53 13.130 -10.694 -1.406 1.00 74.55 O ATOM 843 CB THR A 53 12.394 -7.973 -0.190 1.00 64.01 C ATOM 844 OG1 THR A 53 11.700 -9.103 0.351 1.00 44.00 O ATOM 845 CG2 THR A 53 11.459 -6.775 -0.244 1.00 51.42 C ATOM 0 H THR A 53 11.167 -9.112 -2.381 1.00 25.13 H new ATOM 0 HA THR A 53 13.602 -7.510 -1.917 1.00 62.03 H new ATOM 0 HB THR A 53 13.239 -7.725 0.452 1.00 64.01 H new ATOM 0 HG1 THR A 53 11.235 -9.577 -0.370 1.00 44.00 H new ATOM 0 HG21 THR A 53 11.089 -6.557 0.758 1.00 51.42 H new ATOM 0 HG22 THR A 53 11.999 -5.909 -0.628 1.00 51.42 H new ATOM 0 HG23 THR A 53 10.618 -6.999 -0.901 1.00 51.42 H new ATOM 853 N SER A 54 15.039 -9.518 -1.596 1.00 33.43 N ATOM 854 CA SER A 54 15.898 -10.695 -1.545 1.00 23.44 C ATOM 855 C SER A 54 15.627 -11.511 -0.284 1.00 63.14 C ATOM 856 O SER A 54 15.858 -12.719 -0.253 1.00 62.54 O ATOM 857 CB SER A 54 17.370 -10.281 -1.592 1.00 12.21 C ATOM 858 OG SER A 54 17.920 -10.203 -0.288 1.00 13.12 O ATOM 0 H SER A 54 15.539 -8.634 -1.691 1.00 33.43 H new ATOM 0 HA SER A 54 15.675 -11.315 -2.413 1.00 23.44 H new ATOM 0 HB2 SER A 54 17.934 -11.000 -2.186 1.00 12.21 H new ATOM 0 HB3 SER A 54 17.464 -9.315 -2.088 1.00 12.21 H new ATOM 0 HG SER A 54 18.862 -9.938 -0.346 1.00 13.12 H new ATOM 864 N GLU A 55 15.137 -10.840 0.753 1.00 0.05 N ATOM 865 CA GLU A 55 14.836 -11.503 2.017 1.00 53.23 C ATOM 866 C GLU A 55 13.493 -12.224 1.947 1.00 52.24 C ATOM 867 O GLU A 55 13.368 -13.369 2.377 1.00 72.31 O ATOM 868 CB GLU A 55 14.822 -10.486 3.160 1.00 33.13 C ATOM 869 CG GLU A 55 16.187 -9.894 3.465 1.00 5.34 C ATOM 870 CD GLU A 55 16.173 -8.378 3.493 1.00 4.41 C ATOM 871 OE1 GLU A 55 15.857 -7.806 4.556 1.00 73.34 O1- ATOM 872 OE2 GLU A 55 16.481 -7.764 2.449 1.00 72.30 O ATOM 0 H GLU A 55 14.940 -9.839 0.743 1.00 0.05 H new ATOM 0 HA GLU A 55 15.616 -12.241 2.206 1.00 53.23 H new ATOM 0 HB2 GLU A 55 14.133 -9.679 2.909 1.00 33.13 H new ATOM 0 HB3 GLU A 55 14.435 -10.967 4.058 1.00 33.13 H new ATOM 0 HG2 GLU A 55 16.534 -10.268 4.428 1.00 5.34 H new ATOM 0 HG3 GLU A 55 16.902 -10.233 2.715 1.00 5.34 H new ATOM 879 N GLY A 56 12.489 -11.542 1.402 1.00 62.43 N ATOM 880 CA GLY A 56 11.169 -12.132 1.285 1.00 61.12 C ATOM 881 C GLY A 56 11.197 -13.490 0.612 1.00 12.21 C ATOM 882 O GLY A 56 10.571 -14.439 1.086 1.00 51.53 O ATOM 0 H GLY A 56 12.567 -10.592 1.040 1.00 62.43 H new ATOM 0 HA2 GLY A 56 10.730 -12.231 2.278 1.00 61.12 H new ATOM 0 HA3 GLY A 56 10.524 -11.462 0.717 1.00 61.12 H new ATOM 886 N CYS A 57 11.924 -13.583 -0.496 1.00 63.14 N ATOM 887 CA CYS A 57 12.029 -14.836 -1.238 1.00 13.34 C ATOM 888 C CYS A 57 12.577 -15.949 -0.350 1.00 54.11 C ATOM 889 O CYS A 57 12.062 -17.067 -0.353 1.00 33.33 O ATOM 890 CB CYS A 57 12.930 -14.654 -2.460 1.00 52.35 C ATOM 891 SG CYS A 57 12.072 -14.018 -3.920 1.00 62.43 S ATOM 0 H CYS A 57 12.449 -12.808 -0.900 1.00 63.14 H new ATOM 0 HA CYS A 57 11.030 -15.118 -1.570 1.00 13.34 H new ATOM 0 HB2 CYS A 57 13.741 -13.973 -2.202 1.00 52.35 H new ATOM 0 HB3 CYS A 57 13.386 -15.612 -2.708 1.00 52.35 H new ATOM 0 HG CYS A 57 12.917 -13.896 -4.901 1.00 62.43 H new ATOM 897 N ARG A 58 13.622 -15.635 0.407 1.00 14.42 N ATOM 898 CA ARG A 58 14.241 -16.610 1.297 1.00 15.43 C ATOM 899 C ARG A 58 13.199 -17.251 2.210 1.00 50.51 C ATOM 900 O ARG A 58 13.172 -18.470 2.375 1.00 52.14 O ATOM 901 CB ARG A 58 15.331 -15.943 2.140 1.00 73.54 C ATOM 902 CG ARG A 58 16.103 -16.915 3.016 1.00 30.41 C ATOM 903 CD ARG A 58 16.602 -16.244 4.286 1.00 3.31 C ATOM 904 NE ARG A 58 17.987 -15.795 4.159 1.00 72.14 N ATOM 905 CZ ARG A 58 18.752 -15.472 5.194 1.00 0.12 C ATOM 906 NH1 ARG A 58 18.272 -15.547 6.428 1.00 63.53 N1+ ATOM 907 NH2 ARG A 58 20.002 -15.072 4.998 1.00 21.21 N ATOM 0 H ARG A 58 14.058 -14.713 0.422 1.00 14.42 H new ATOM 0 HA ARG A 58 14.691 -17.390 0.683 1.00 15.43 H new ATOM 0 HB2 ARG A 58 16.029 -15.431 1.477 1.00 73.54 H new ATOM 0 HB3 ARG A 58 14.875 -15.181 2.772 1.00 73.54 H new ATOM 0 HG2 ARG A 58 15.464 -17.759 3.276 1.00 30.41 H new ATOM 0 HG3 ARG A 58 16.949 -17.316 2.458 1.00 30.41 H new ATOM 0 HD2 ARG A 58 15.964 -15.392 4.520 1.00 3.31 H new ATOM 0 HD3 ARG A 58 16.522 -16.941 5.120 1.00 3.31 H new ATOM 0 HE ARG A 58 18.388 -15.726 3.223 1.00 72.14 H new ATOM 0 HH11 ARG A 58 17.312 -15.854 6.584 1.00 63.53 H new ATOM 0 HH12 ARG A 58 18.863 -15.298 7.221 1.00 63.53 H new ATOM 0 HH21 ARG A 58 20.376 -15.013 4.051 1.00 21.21 H new ATOM 0 HH22 ARG A 58 20.589 -14.824 5.794 1.00 21.21 H new ATOM 921 N GLN A 59 12.345 -16.420 2.799 1.00 30.15 N ATOM 922 CA GLN A 59 11.303 -16.906 3.695 1.00 25.41 C ATOM 923 C GLN A 59 10.311 -17.791 2.947 1.00 3.35 C ATOM 924 O GLN A 59 9.810 -18.776 3.491 1.00 11.35 O ATOM 925 CB GLN A 59 10.568 -15.731 4.343 1.00 45.13 C ATOM 926 CG GLN A 59 11.365 -15.048 5.442 1.00 14.33 C ATOM 927 CD GLN A 59 10.986 -13.590 5.618 1.00 34.40 C ATOM 928 OE1 GLN A 59 11.710 -12.692 5.189 1.00 13.10 O ATOM 929 NE2 GLN A 59 9.844 -13.348 6.252 1.00 1.10 N ATOM 0 H GLN A 59 12.354 -15.408 2.672 1.00 30.15 H new ATOM 0 HA GLN A 59 11.778 -17.502 4.474 1.00 25.41 H new ATOM 0 HB2 GLN A 59 10.322 -14.998 3.574 1.00 45.13 H new ATOM 0 HB3 GLN A 59 9.625 -16.087 4.757 1.00 45.13 H new ATOM 0 HG2 GLN A 59 11.207 -15.577 6.382 1.00 14.33 H new ATOM 0 HG3 GLN A 59 12.428 -15.118 5.212 1.00 14.33 H new ATOM 0 HE21 GLN A 59 9.275 -14.123 6.591 1.00 1.10 H new ATOM 0 HE22 GLN A 59 9.536 -12.387 6.400 1.00 1.10 H new ATOM 938 N ILE A 60 10.031 -17.433 1.698 1.00 23.35 N ATOM 939 CA ILE A 60 9.100 -18.196 0.877 1.00 61.23 C ATOM 940 C ILE A 60 9.693 -19.543 0.480 1.00 23.11 C ATOM 941 O ILE A 60 8.992 -20.556 0.441 1.00 52.13 O ATOM 942 CB ILE A 60 8.712 -17.423 -0.398 1.00 23.43 C ATOM 943 CG1 ILE A 60 8.081 -16.078 -0.033 1.00 1.23 C ATOM 944 CG2 ILE A 60 7.758 -18.249 -1.248 1.00 13.12 C ATOM 945 CD1 ILE A 60 8.076 -15.084 -1.173 1.00 72.10 C ATOM 0 H ILE A 60 10.435 -16.620 1.233 1.00 23.35 H new ATOM 0 HA ILE A 60 8.207 -18.359 1.480 1.00 61.23 H new ATOM 0 HB ILE A 60 9.614 -17.233 -0.979 1.00 23.43 H new ATOM 0 HG12 ILE A 60 7.056 -16.245 0.298 1.00 1.23 H new ATOM 0 HG13 ILE A 60 8.622 -15.649 0.810 1.00 1.23 H new ATOM 0 HG21 ILE A 60 7.493 -17.690 -2.145 1.00 13.12 H new ATOM 0 HG22 ILE A 60 8.241 -19.184 -1.533 1.00 13.12 H new ATOM 0 HG23 ILE A 60 6.856 -18.466 -0.676 1.00 13.12 H new ATOM 0 HD11 ILE A 60 7.614 -14.154 -0.843 1.00 72.10 H new ATOM 0 HD12 ILE A 60 9.101 -14.888 -1.489 1.00 72.10 H new ATOM 0 HD13 ILE A 60 7.510 -15.493 -2.010 1.00 72.10 H new ATOM 957 N LEU A 61 10.989 -19.550 0.188 1.00 61.23 N ATOM 958 CA LEU A 61 11.679 -20.775 -0.204 1.00 71.51 C ATOM 959 C LEU A 61 11.917 -21.676 1.003 1.00 42.01 C ATOM 960 O LEU A 61 12.026 -22.894 0.870 1.00 63.14 O ATOM 961 CB LEU A 61 13.011 -20.441 -0.876 1.00 52.45 C ATOM 962 CG LEU A 61 12.930 -19.572 -2.133 1.00 74.31 C ATOM 963 CD1 LEU A 61 14.067 -18.562 -2.157 1.00 74.55 C ATOM 964 CD2 LEU A 61 12.956 -20.439 -3.383 1.00 41.45 C ATOM 0 H LEU A 61 11.583 -18.722 0.215 1.00 61.23 H new ATOM 0 HA LEU A 61 11.046 -21.308 -0.913 1.00 71.51 H new ATOM 0 HB2 LEU A 61 13.645 -19.934 -0.149 1.00 52.45 H new ATOM 0 HB3 LEU A 61 13.508 -21.375 -1.136 1.00 52.45 H new ATOM 0 HG LEU A 61 11.987 -19.026 -2.115 1.00 74.31 H new ATOM 0 HD11 LEU A 61 13.994 -17.953 -3.058 1.00 74.55 H new ATOM 0 HD12 LEU A 61 14.002 -17.920 -1.278 1.00 74.55 H new ATOM 0 HD13 LEU A 61 15.021 -19.088 -2.152 1.00 74.55 H new ATOM 0 HD21 LEU A 61 12.898 -19.804 -4.267 1.00 41.45 H new ATOM 0 HD22 LEU A 61 13.882 -21.013 -3.409 1.00 41.45 H new ATOM 0 HD23 LEU A 61 12.107 -21.122 -3.370 1.00 41.45 H new ATOM 976 N GLY A 62 11.996 -21.067 2.183 1.00 64.32 N ATOM 977 CA GLY A 62 12.219 -21.830 3.397 1.00 15.41 C ATOM 978 C GLY A 62 11.031 -22.697 3.764 1.00 54.10 C ATOM 979 O GLY A 62 11.184 -23.718 4.435 1.00 41.13 O ATOM 0 H GLY A 62 11.910 -20.060 2.319 1.00 64.32 H new ATOM 0 HA2 GLY A 62 13.099 -22.460 3.270 1.00 15.41 H new ATOM 0 HA3 GLY A 62 12.433 -21.146 4.218 1.00 15.41 H new ATOM 983 N GLN A 63 9.845 -22.289 3.325 1.00 21.43 N ATOM 984 CA GLN A 63 8.626 -23.036 3.614 1.00 60.22 C ATOM 985 C GLN A 63 8.362 -24.084 2.537 1.00 32.44 C ATOM 986 O GLN A 63 7.716 -25.102 2.792 1.00 5.12 O ATOM 987 CB GLN A 63 7.433 -22.085 3.719 1.00 14.53 C ATOM 988 CG GLN A 63 7.189 -21.569 5.130 1.00 44.15 C ATOM 989 CD GLN A 63 7.009 -22.688 6.136 1.00 40.20 C ATOM 990 OE1 GLN A 63 7.980 -23.186 6.707 1.00 61.42 O ATOM 991 NE2 GLN A 63 5.764 -23.089 6.361 1.00 53.02 N ATOM 0 H GLN A 63 9.702 -21.446 2.768 1.00 21.43 H new ATOM 0 HA GLN A 63 8.760 -23.546 4.568 1.00 60.22 H new ATOM 0 HB2 GLN A 63 7.595 -21.237 3.054 1.00 14.53 H new ATOM 0 HB3 GLN A 63 6.538 -22.598 3.369 1.00 14.53 H new ATOM 0 HG2 GLN A 63 8.028 -20.943 5.434 1.00 44.15 H new ATOM 0 HG3 GLN A 63 6.302 -20.936 5.133 1.00 44.15 H new ATOM 0 HE21 GLN A 63 4.989 -22.648 5.866 1.00 53.02 H new ATOM 0 HE22 GLN A 63 5.582 -23.838 7.029 1.00 53.02 H new ATOM 1000 N LEU A 64 8.863 -23.828 1.334 1.00 4.23 N ATOM 1001 CA LEU A 64 8.681 -24.750 0.218 1.00 50.32 C ATOM 1002 C LEU A 64 9.799 -25.786 0.180 1.00 23.41 C ATOM 1003 O LEU A 64 9.617 -26.890 -0.333 1.00 13.11 O ATOM 1004 CB LEU A 64 8.638 -23.979 -1.102 1.00 65.55 C ATOM 1005 CG LEU A 64 7.510 -22.957 -1.247 1.00 65.11 C ATOM 1006 CD1 LEU A 64 7.520 -22.345 -2.640 1.00 45.12 C ATOM 1007 CD2 LEU A 64 6.164 -23.603 -0.956 1.00 11.41 C ATOM 0 H LEU A 64 9.398 -22.990 1.106 1.00 4.23 H new ATOM 0 HA LEU A 64 7.734 -25.271 0.359 1.00 50.32 H new ATOM 0 HB2 LEU A 64 9.589 -23.461 -1.228 1.00 65.55 H new ATOM 0 HB3 LEU A 64 8.556 -24.698 -1.917 1.00 65.55 H new ATOM 0 HG LEU A 64 7.672 -22.160 -0.521 1.00 65.11 H new ATOM 0 HD11 LEU A 64 6.710 -21.620 -2.725 1.00 45.12 H new ATOM 0 HD12 LEU A 64 8.474 -21.846 -2.811 1.00 45.12 H new ATOM 0 HD13 LEU A 64 7.383 -23.130 -3.383 1.00 45.12 H new ATOM 0 HD21 LEU A 64 5.373 -22.861 -1.064 1.00 11.41 H new ATOM 0 HD22 LEU A 64 5.993 -24.420 -1.657 1.00 11.41 H new ATOM 0 HD23 LEU A 64 6.160 -23.992 0.062 1.00 11.41 H new ATOM 1019 N GLN A 65 10.956 -25.423 0.726 1.00 74.41 N ATOM 1020 CA GLN A 65 12.102 -26.322 0.756 1.00 61.44 C ATOM 1021 C GLN A 65 11.718 -27.676 1.344 1.00 32.33 C ATOM 1022 O GLN A 65 11.803 -28.713 0.686 1.00 10.44 O ATOM 1023 CB GLN A 65 13.241 -25.705 1.568 1.00 43.32 C ATOM 1024 CG GLN A 65 14.448 -25.319 0.729 1.00 44.05 C ATOM 1025 CD GLN A 65 15.688 -25.076 1.566 1.00 60.11 C ATOM 1026 OE1 GLN A 65 15.640 -24.378 2.579 1.00 4.32 O ATOM 1027 NE2 GLN A 65 16.809 -25.653 1.147 1.00 53.13 N ATOM 0 H GLN A 65 11.123 -24.512 1.153 1.00 74.41 H new ATOM 0 HA GLN A 65 12.438 -26.474 -0.270 1.00 61.44 H new ATOM 0 HB2 GLN A 65 12.870 -24.820 2.084 1.00 43.32 H new ATOM 0 HB3 GLN A 65 13.554 -26.413 2.335 1.00 43.32 H new ATOM 0 HG2 GLN A 65 14.651 -26.110 0.007 1.00 44.05 H new ATOM 0 HG3 GLN A 65 14.217 -24.419 0.160 1.00 44.05 H new ATOM 0 HE21 GLN A 65 16.804 -26.224 0.302 1.00 53.13 H new ATOM 0 HE22 GLN A 65 17.675 -25.525 1.671 1.00 53.13 H new ATOM 1036 N PRO A 66 11.284 -27.668 2.613 1.00 34.34 N ATOM 1037 CA PRO A 66 10.877 -28.888 3.318 1.00 53.31 C ATOM 1038 C PRO A 66 9.575 -29.465 2.773 1.00 5.24 C ATOM 1039 O PRO A 66 9.247 -30.625 3.024 1.00 2.23 O ATOM 1040 CB PRO A 66 10.690 -28.416 4.763 1.00 40.34 C ATOM 1041 CG PRO A 66 10.385 -26.962 4.650 1.00 3.51 C ATOM 1042 CD PRO A 66 11.156 -26.469 3.458 1.00 52.53 C ATOM 0 HA PRO A 66 11.610 -29.687 3.207 1.00 53.31 H new ATOM 0 HB2 PRO A 66 9.879 -28.954 5.253 1.00 40.34 H new ATOM 0 HB3 PRO A 66 11.589 -28.587 5.355 1.00 40.34 H new ATOM 0 HG2 PRO A 66 9.316 -26.797 4.519 1.00 3.51 H new ATOM 0 HG3 PRO A 66 10.681 -26.430 5.554 1.00 3.51 H new ATOM 0 HD2 PRO A 66 10.627 -25.668 2.941 1.00 52.53 H new ATOM 0 HD3 PRO A 66 12.131 -26.074 3.745 1.00 52.53 H new ATOM 1050 N SER A 67 8.837 -28.650 2.027 1.00 1.44 N ATOM 1051 CA SER A 67 7.570 -29.079 1.450 1.00 21.31 C ATOM 1052 C SER A 67 7.724 -29.377 -0.038 1.00 73.22 C ATOM 1053 O SER A 67 6.765 -29.279 -0.806 1.00 10.32 O ATOM 1054 CB SER A 67 6.500 -28.005 1.659 1.00 32.20 C ATOM 1055 OG SER A 67 6.062 -27.977 3.007 1.00 44.33 O ATOM 0 H SER A 67 9.095 -27.688 1.808 1.00 1.44 H new ATOM 0 HA SER A 67 7.260 -29.993 1.956 1.00 21.31 H new ATOM 0 HB2 SER A 67 6.901 -27.030 1.383 1.00 32.20 H new ATOM 0 HB3 SER A 67 5.652 -28.199 1.002 1.00 32.20 H new ATOM 0 HG SER A 67 5.380 -27.282 3.115 1.00 44.33 H new ATOM 1061 N LEU A 68 8.937 -29.742 -0.440 1.00 35.23 N ATOM 1062 CA LEU A 68 9.218 -30.055 -1.836 1.00 73.11 C ATOM 1063 C LEU A 68 8.758 -31.468 -2.181 1.00 52.33 C ATOM 1064 O LEU A 68 8.284 -31.723 -3.288 1.00 42.51 O ATOM 1065 CB LEU A 68 10.714 -29.910 -2.120 1.00 11.40 C ATOM 1066 CG LEU A 68 11.156 -28.575 -2.721 1.00 3.41 C ATOM 1067 CD1 LEU A 68 12.669 -28.430 -2.643 1.00 52.31 C ATOM 1068 CD2 LEU A 68 10.681 -28.454 -4.162 1.00 24.45 C ATOM 0 H LEU A 68 9.741 -29.828 0.182 1.00 35.23 H new ATOM 0 HA LEU A 68 8.666 -29.351 -2.459 1.00 73.11 H new ATOM 0 HB2 LEU A 68 11.257 -30.064 -1.188 1.00 11.40 H new ATOM 0 HB3 LEU A 68 11.014 -30.708 -2.799 1.00 11.40 H new ATOM 0 HG LEU A 68 10.703 -27.770 -2.142 1.00 3.41 H new ATOM 0 HD11 LEU A 68 12.966 -27.474 -3.075 1.00 52.31 H new ATOM 0 HD12 LEU A 68 12.985 -28.471 -1.601 1.00 52.31 H new ATOM 0 HD13 LEU A 68 13.141 -29.241 -3.197 1.00 52.31 H new ATOM 0 HD21 LEU A 68 11.005 -27.498 -4.573 1.00 24.45 H new ATOM 0 HD22 LEU A 68 11.104 -29.265 -4.754 1.00 24.45 H new ATOM 0 HD23 LEU A 68 9.593 -28.512 -4.193 1.00 24.45 H new ATOM 1080 N GLN A 69 8.899 -32.381 -1.226 1.00 13.13 N ATOM 1081 CA GLN A 69 8.497 -33.767 -1.428 1.00 72.42 C ATOM 1082 C GLN A 69 6.995 -33.933 -1.225 1.00 21.54 C ATOM 1083 O GLN A 69 6.337 -34.680 -1.951 1.00 31.42 O ATOM 1084 CB GLN A 69 9.258 -34.686 -0.472 1.00 31.52 C ATOM 1085 CG GLN A 69 8.982 -36.164 -0.700 1.00 33.42 C ATOM 1086 CD GLN A 69 9.976 -36.804 -1.648 1.00 61.31 C ATOM 1087 OE1 GLN A 69 11.073 -36.286 -1.858 1.00 5.42 O ATOM 1088 NE2 GLN A 69 9.597 -37.937 -2.228 1.00 73.20 N ATOM 0 H GLN A 69 9.289 -32.185 -0.304 1.00 13.13 H new ATOM 0 HA GLN A 69 8.739 -34.043 -2.454 1.00 72.42 H new ATOM 0 HB2 GLN A 69 10.327 -34.504 -0.580 1.00 31.52 H new ATOM 0 HB3 GLN A 69 8.993 -34.429 0.554 1.00 31.52 H new ATOM 0 HG2 GLN A 69 9.010 -36.686 0.256 1.00 33.42 H new ATOM 0 HG3 GLN A 69 7.975 -36.284 -1.100 1.00 33.42 H new ATOM 0 HE21 GLN A 69 8.678 -38.331 -2.025 1.00 73.20 H new ATOM 0 HE22 GLN A 69 10.224 -38.413 -2.876 1.00 73.20 H new ATOM 1097 N THR A 70 6.455 -33.232 -0.232 1.00 2.45 N ATOM 1098 CA THR A 70 5.032 -33.303 0.069 1.00 22.42 C ATOM 1099 C THR A 70 4.274 -32.152 -0.583 1.00 41.22 C ATOM 1100 O THR A 70 3.208 -31.754 -0.115 1.00 62.14 O ATOM 1101 CB THR A 70 4.777 -33.276 1.588 1.00 35.50 C ATOM 1102 OG1 THR A 70 5.822 -33.974 2.273 1.00 32.32 O ATOM 1103 CG2 THR A 70 3.434 -33.908 1.922 1.00 73.20 C ATOM 0 H THR A 70 6.984 -32.608 0.378 1.00 2.45 H new ATOM 0 HA THR A 70 4.670 -34.248 -0.336 1.00 22.42 H new ATOM 0 HB THR A 70 4.762 -32.236 1.913 1.00 35.50 H new ATOM 0 HG1 THR A 70 5.653 -33.951 3.238 1.00 32.32 H new ATOM 0 HG21 THR A 70 3.276 -33.878 3.000 1.00 73.20 H new ATOM 0 HG22 THR A 70 2.638 -33.356 1.423 1.00 73.20 H new ATOM 0 HG23 THR A 70 3.425 -34.944 1.583 1.00 73.20 H new ATOM 1111 N GLY A 71 4.832 -31.621 -1.667 1.00 30.10 N ATOM 1112 CA GLY A 71 4.194 -30.521 -2.366 1.00 44.31 C ATOM 1113 C GLY A 71 3.547 -30.957 -3.665 1.00 72.04 C ATOM 1114 O GLY A 71 3.797 -32.059 -4.152 1.00 4.33 O ATOM 0 H GLY A 71 5.714 -31.933 -2.073 1.00 30.10 H new ATOM 0 HA2 GLY A 71 3.439 -30.073 -1.720 1.00 44.31 H new ATOM 0 HA3 GLY A 71 4.934 -29.748 -2.574 1.00 44.31 H new ATOM 1118 N SER A 72 2.711 -30.090 -4.228 1.00 52.02 N ATOM 1119 CA SER A 72 2.022 -30.394 -5.476 1.00 73.33 C ATOM 1120 C SER A 72 2.669 -29.661 -6.647 1.00 41.11 C ATOM 1121 O SER A 72 3.661 -28.953 -6.478 1.00 23.53 O ATOM 1122 CB SER A 72 0.544 -30.010 -5.374 1.00 74.44 C ATOM 1123 OG SER A 72 0.366 -28.615 -5.547 1.00 72.20 O ATOM 0 H SER A 72 2.495 -29.172 -3.839 1.00 52.02 H new ATOM 0 HA SER A 72 2.101 -31.467 -5.653 1.00 73.33 H new ATOM 0 HB2 SER A 72 -0.028 -30.549 -6.129 1.00 74.44 H new ATOM 0 HB3 SER A 72 0.153 -30.312 -4.402 1.00 74.44 H new ATOM 0 HG SER A 72 -0.587 -28.396 -5.479 1.00 72.20 H new ATOM 1129 N GLU A 73 2.098 -29.835 -7.835 1.00 65.13 N ATOM 1130 CA GLU A 73 2.620 -29.190 -9.035 1.00 24.43 C ATOM 1131 C GLU A 73 2.704 -27.679 -8.847 1.00 12.44 C ATOM 1132 O GLU A 73 3.536 -27.013 -9.462 1.00 3.40 O ATOM 1133 CB GLU A 73 1.738 -29.518 -10.241 1.00 74.21 C ATOM 1134 CG GLU A 73 0.315 -29.001 -10.112 1.00 73.42 C ATOM 1135 CD GLU A 73 -0.469 -29.118 -11.406 1.00 5.51 C ATOM 1136 OE1 GLU A 73 0.163 -29.329 -12.463 1.00 30.41 O ATOM 1137 OE2 GLU A 73 -1.710 -28.998 -11.361 1.00 44.32 O1- ATOM 0 H GLU A 73 1.275 -30.416 -7.992 1.00 65.13 H new ATOM 0 HA GLU A 73 3.625 -29.572 -9.215 1.00 24.43 H new ATOM 0 HB2 GLU A 73 2.190 -29.094 -11.137 1.00 74.21 H new ATOM 0 HB3 GLU A 73 1.712 -30.599 -10.378 1.00 74.21 H new ATOM 0 HG2 GLU A 73 -0.200 -29.557 -9.328 1.00 73.42 H new ATOM 0 HG3 GLU A 73 0.339 -27.957 -9.799 1.00 73.42 H new ATOM 1144 N GLU A 74 1.836 -27.145 -7.994 1.00 13.22 N ATOM 1145 CA GLU A 74 1.811 -25.711 -7.727 1.00 22.42 C ATOM 1146 C GLU A 74 3.018 -25.293 -6.891 1.00 72.44 C ATOM 1147 O GLU A 74 3.610 -24.238 -7.121 1.00 4.32 O ATOM 1148 CB GLU A 74 0.519 -25.327 -7.003 1.00 64.15 C ATOM 1149 CG GLU A 74 -0.740 -25.763 -7.734 1.00 52.10 C ATOM 1150 CD GLU A 74 -1.723 -24.626 -7.934 1.00 10.24 C ATOM 1151 OE1 GLU A 74 -1.790 -23.740 -7.055 1.00 73.24 O ATOM 1152 OE2 GLU A 74 -2.424 -24.620 -8.966 1.00 44.42 O1- ATOM 0 H GLU A 74 1.141 -27.683 -7.476 1.00 13.22 H new ATOM 0 HA GLU A 74 1.853 -25.188 -8.683 1.00 22.42 H new ATOM 0 HB2 GLU A 74 0.524 -25.772 -6.008 1.00 64.15 H new ATOM 0 HB3 GLU A 74 0.495 -24.246 -6.869 1.00 64.15 H new ATOM 0 HG2 GLU A 74 -0.467 -26.177 -8.705 1.00 52.10 H new ATOM 0 HG3 GLU A 74 -1.224 -26.562 -7.172 1.00 52.10 H new ATOM 1159 N LEU A 75 3.376 -26.127 -5.922 1.00 12.24 N ATOM 1160 CA LEU A 75 4.512 -25.845 -5.051 1.00 11.22 C ATOM 1161 C LEU A 75 5.821 -25.887 -5.832 1.00 24.32 C ATOM 1162 O LEU A 75 6.705 -25.055 -5.627 1.00 33.21 O ATOM 1163 CB LEU A 75 4.559 -26.850 -3.899 1.00 40.11 C ATOM 1164 CG LEU A 75 5.528 -26.523 -2.762 1.00 32.31 C ATOM 1165 CD1 LEU A 75 4.941 -26.944 -1.423 1.00 31.11 C ATOM 1166 CD2 LEU A 75 6.871 -27.200 -2.994 1.00 1.03 C ATOM 0 H LEU A 75 2.897 -27.004 -5.719 1.00 12.24 H new ATOM 0 HA LEU A 75 4.386 -24.842 -4.644 1.00 11.22 H new ATOM 0 HB2 LEU A 75 3.557 -26.940 -3.481 1.00 40.11 H new ATOM 0 HB3 LEU A 75 4.823 -27.826 -4.305 1.00 40.11 H new ATOM 0 HG LEU A 75 5.686 -25.445 -2.744 1.00 32.31 H new ATOM 0 HD11 LEU A 75 5.644 -26.704 -0.626 1.00 31.11 H new ATOM 0 HD12 LEU A 75 4.004 -26.413 -1.253 1.00 31.11 H new ATOM 0 HD13 LEU A 75 4.753 -28.018 -1.430 1.00 31.11 H new ATOM 0 HD21 LEU A 75 7.548 -26.956 -2.175 1.00 1.03 H new ATOM 0 HD22 LEU A 75 6.731 -28.280 -3.040 1.00 1.03 H new ATOM 0 HD23 LEU A 75 7.298 -26.850 -3.934 1.00 1.03 H new ATOM 1178 N ARG A 76 5.937 -26.861 -6.728 1.00 43.15 N ATOM 1179 CA ARG A 76 7.138 -27.011 -7.542 1.00 12.33 C ATOM 1180 C ARG A 76 7.377 -25.768 -8.393 1.00 4.40 C ATOM 1181 O ARG A 76 8.485 -25.234 -8.432 1.00 11.54 O ATOM 1182 CB ARG A 76 7.019 -28.243 -8.441 1.00 5.21 C ATOM 1183 CG ARG A 76 7.822 -29.436 -7.948 1.00 3.11 C ATOM 1184 CD ARG A 76 8.099 -30.424 -9.071 1.00 75.24 C ATOM 1185 NE ARG A 76 6.872 -30.849 -9.740 1.00 61.13 N ATOM 1186 CZ ARG A 76 6.850 -31.430 -10.935 1.00 50.02 C ATOM 1187 NH1 ARG A 76 7.982 -31.654 -11.588 1.00 2.31 N1+ ATOM 1188 NH2 ARG A 76 5.694 -31.789 -11.478 1.00 23.31 N ATOM 0 H ARG A 76 5.215 -27.558 -6.909 1.00 43.15 H new ATOM 0 HA ARG A 76 7.988 -27.139 -6.871 1.00 12.33 H new ATOM 0 HB2 ARG A 76 5.970 -28.528 -8.516 1.00 5.21 H new ATOM 0 HB3 ARG A 76 7.351 -27.983 -9.446 1.00 5.21 H new ATOM 0 HG2 ARG A 76 8.765 -29.091 -7.525 1.00 3.11 H new ATOM 0 HG3 ARG A 76 7.277 -29.937 -7.147 1.00 3.11 H new ATOM 0 HD2 ARG A 76 8.769 -29.967 -9.799 1.00 75.24 H new ATOM 0 HD3 ARG A 76 8.613 -31.296 -8.668 1.00 75.24 H new ATOM 0 HE ARG A 76 5.984 -30.691 -9.264 1.00 61.13 H new ATOM 0 HH11 ARG A 76 8.873 -31.380 -11.173 1.00 2.31 H new ATOM 0 HH12 ARG A 76 7.962 -32.100 -12.505 1.00 2.31 H new ATOM 0 HH21 ARG A 76 4.821 -31.619 -10.978 1.00 23.31 H new ATOM 0 HH22 ARG A 76 5.678 -32.235 -12.395 1.00 23.31 H new ATOM 1202 N SER A 77 6.331 -25.313 -9.075 1.00 10.14 N ATOM 1203 CA SER A 77 6.428 -24.136 -9.930 1.00 12.32 C ATOM 1204 C SER A 77 6.901 -22.923 -9.132 1.00 73.51 C ATOM 1205 O SER A 77 7.762 -22.166 -9.582 1.00 61.24 O ATOM 1206 CB SER A 77 5.076 -23.837 -10.580 1.00 30.45 C ATOM 1207 OG SER A 77 4.023 -24.482 -9.883 1.00 60.14 O ATOM 0 H SER A 77 5.406 -25.742 -9.052 1.00 10.14 H new ATOM 0 HA SER A 77 7.159 -24.344 -10.711 1.00 12.32 H new ATOM 0 HB2 SER A 77 4.904 -22.761 -10.591 1.00 30.45 H new ATOM 0 HB3 SER A 77 5.086 -24.169 -11.618 1.00 30.45 H new ATOM 0 HG SER A 77 3.980 -25.423 -10.154 1.00 60.14 H new ATOM 1213 N LEU A 78 6.330 -22.746 -7.945 1.00 42.44 N ATOM 1214 CA LEU A 78 6.692 -21.626 -7.084 1.00 14.55 C ATOM 1215 C LEU A 78 8.183 -21.646 -6.761 1.00 74.11 C ATOM 1216 O LEU A 78 8.903 -20.688 -7.045 1.00 62.12 O ATOM 1217 CB LEU A 78 5.878 -21.670 -5.789 1.00 54.44 C ATOM 1218 CG LEU A 78 4.691 -20.709 -5.710 1.00 51.21 C ATOM 1219 CD1 LEU A 78 5.154 -19.271 -5.889 1.00 72.21 C ATOM 1220 CD2 LEU A 78 3.643 -21.067 -6.755 1.00 4.51 C ATOM 0 H LEU A 78 5.616 -23.363 -7.558 1.00 42.44 H new ATOM 0 HA LEU A 78 6.467 -20.702 -7.617 1.00 14.55 H new ATOM 0 HB2 LEU A 78 5.507 -22.686 -5.651 1.00 54.44 H new ATOM 0 HB3 LEU A 78 6.547 -21.458 -4.955 1.00 54.44 H new ATOM 0 HG LEU A 78 4.238 -20.803 -4.723 1.00 51.21 H new ATOM 0 HD11 LEU A 78 4.295 -18.602 -5.830 1.00 72.21 H new ATOM 0 HD12 LEU A 78 5.866 -19.018 -5.104 1.00 72.21 H new ATOM 0 HD13 LEU A 78 5.633 -19.161 -6.862 1.00 72.21 H new ATOM 0 HD21 LEU A 78 2.806 -20.372 -6.684 1.00 4.51 H new ATOM 0 HD22 LEU A 78 4.084 -21.003 -7.750 1.00 4.51 H new ATOM 0 HD23 LEU A 78 3.288 -22.083 -6.581 1.00 4.51 H new ATOM 1232 N TYR A 79 8.639 -22.743 -6.168 1.00 2.42 N ATOM 1233 CA TYR A 79 10.044 -22.888 -5.807 1.00 2.34 C ATOM 1234 C TYR A 79 10.947 -22.601 -7.003 1.00 32.34 C ATOM 1235 O TYR A 79 12.074 -22.133 -6.846 1.00 14.43 O ATOM 1236 CB TYR A 79 10.314 -24.298 -5.277 1.00 50.13 C ATOM 1237 CG TYR A 79 11.554 -24.395 -4.418 1.00 44.23 C ATOM 1238 CD1 TYR A 79 11.608 -23.787 -3.171 1.00 12.34 C ATOM 1239 CD2 TYR A 79 12.672 -25.095 -4.855 1.00 2.43 C ATOM 1240 CE1 TYR A 79 12.739 -23.872 -2.382 1.00 22.10 C ATOM 1241 CE2 TYR A 79 13.807 -25.188 -4.073 1.00 14.41 C ATOM 1242 CZ TYR A 79 13.836 -24.575 -2.837 1.00 13.40 C ATOM 1243 OH TYR A 79 14.966 -24.663 -2.057 1.00 34.15 O ATOM 0 H TYR A 79 8.056 -23.545 -5.927 1.00 2.42 H new ATOM 0 HA TYR A 79 10.267 -22.164 -5.024 1.00 2.34 H new ATOM 0 HB2 TYR A 79 9.453 -24.630 -4.696 1.00 50.13 H new ATOM 0 HB3 TYR A 79 10.412 -24.981 -6.120 1.00 50.13 H new ATOM 0 HD1 TYR A 79 10.751 -23.238 -2.811 1.00 12.34 H new ATOM 0 HD2 TYR A 79 12.653 -25.575 -5.823 1.00 2.43 H new ATOM 0 HE1 TYR A 79 12.764 -23.391 -1.415 1.00 22.10 H new ATOM 0 HE2 TYR A 79 14.667 -25.737 -4.427 1.00 14.41 H new ATOM 0 HH TYR A 79 15.645 -25.194 -2.524 1.00 34.15 H new ATOM 1253 N ASN A 80 10.442 -22.885 -8.198 1.00 51.21 N ATOM 1254 CA ASN A 80 11.201 -22.658 -9.422 1.00 50.24 C ATOM 1255 C ASN A 80 11.289 -21.168 -9.739 1.00 52.42 C ATOM 1256 O ASN A 80 12.376 -20.591 -9.767 1.00 55.43 O ATOM 1257 CB ASN A 80 10.556 -23.402 -10.593 1.00 44.00 C ATOM 1258 CG ASN A 80 11.096 -24.810 -10.751 1.00 24.45 C ATOM 1259 OD1 ASN A 80 11.685 -25.369 -9.824 1.00 75.23 O ATOM 1260 ND2 ASN A 80 10.900 -25.391 -11.928 1.00 74.23 N ATOM 0 H ASN A 80 9.510 -23.273 -8.345 1.00 51.21 H new ATOM 0 HA ASN A 80 12.210 -23.040 -9.269 1.00 50.24 H new ATOM 0 HB2 ASN A 80 9.477 -23.444 -10.443 1.00 44.00 H new ATOM 0 HB3 ASN A 80 10.728 -22.844 -11.513 1.00 44.00 H new ATOM 0 HD21 ASN A 80 11.242 -26.338 -12.093 1.00 74.23 H new ATOM 0 HD22 ASN A 80 10.407 -24.891 -12.668 1.00 74.23 H new ATOM 1267 N THR A 81 10.136 -20.550 -9.978 1.00 33.35 N ATOM 1268 CA THR A 81 10.082 -19.128 -10.293 1.00 12.41 C ATOM 1269 C THR A 81 10.755 -18.298 -9.205 1.00 74.34 C ATOM 1270 O THR A 81 11.653 -17.503 -9.485 1.00 34.30 O ATOM 1271 CB THR A 81 8.629 -18.646 -10.466 1.00 40.42 C ATOM 1272 OG1 THR A 81 7.944 -19.482 -11.405 1.00 42.54 O ATOM 1273 CG2 THR A 81 8.591 -17.202 -10.943 1.00 22.12 C ATOM 0 H THR A 81 9.227 -21.013 -9.959 1.00 33.35 H new ATOM 0 HA THR A 81 10.617 -18.992 -11.233 1.00 12.41 H new ATOM 0 HB THR A 81 8.132 -18.705 -9.498 1.00 40.42 H new ATOM 0 HG1 THR A 81 7.021 -19.170 -11.508 1.00 42.54 H new ATOM 0 HG21 THR A 81 7.555 -16.884 -11.058 1.00 22.12 H new ATOM 0 HG22 THR A 81 9.087 -16.564 -10.212 1.00 22.12 H new ATOM 0 HG23 THR A 81 9.104 -17.122 -11.902 1.00 22.12 H new ATOM 1281 N ILE A 82 10.316 -18.487 -7.966 1.00 73.44 N ATOM 1282 CA ILE A 82 10.878 -17.757 -6.837 1.00 13.34 C ATOM 1283 C ILE A 82 12.396 -17.888 -6.799 1.00 52.30 C ATOM 1284 O ILE A 82 13.104 -16.936 -6.468 1.00 35.12 O ATOM 1285 CB ILE A 82 10.297 -18.253 -5.499 1.00 41.02 C ATOM 1286 CG1 ILE A 82 8.774 -18.107 -5.494 1.00 61.23 C ATOM 1287 CG2 ILE A 82 10.912 -17.488 -4.338 1.00 53.31 C ATOM 1288 CD1 ILE A 82 8.097 -18.871 -4.377 1.00 43.22 C ATOM 0 H ILE A 82 9.572 -19.140 -7.718 1.00 73.44 H new ATOM 0 HA ILE A 82 10.609 -16.710 -6.974 1.00 13.34 H new ATOM 0 HB ILE A 82 10.542 -19.309 -5.383 1.00 41.02 H new ATOM 0 HG12 ILE A 82 8.519 -17.051 -5.408 1.00 61.23 H new ATOM 0 HG13 ILE A 82 8.381 -18.453 -6.450 1.00 61.23 H new ATOM 0 HG21 ILE A 82 10.491 -17.850 -3.400 1.00 53.31 H new ATOM 0 HG22 ILE A 82 11.991 -17.639 -4.334 1.00 53.31 H new ATOM 0 HG23 ILE A 82 10.695 -16.425 -4.447 1.00 53.31 H new ATOM 0 HD11 ILE A 82 7.019 -18.722 -4.435 1.00 43.22 H new ATOM 0 HD12 ILE A 82 8.322 -19.933 -4.474 1.00 43.22 H new ATOM 0 HD13 ILE A 82 8.462 -18.509 -3.416 1.00 43.22 H new ATOM 1300 N ALA A 83 12.892 -19.072 -7.141 1.00 71.22 N ATOM 1301 CA ALA A 83 14.327 -19.327 -7.150 1.00 54.40 C ATOM 1302 C ALA A 83 15.033 -18.454 -8.182 1.00 70.14 C ATOM 1303 O ALA A 83 16.023 -17.789 -7.876 1.00 32.01 O ATOM 1304 CB ALA A 83 14.601 -20.797 -7.423 1.00 22.00 C ATOM 0 H ALA A 83 12.320 -19.871 -7.416 1.00 71.22 H new ATOM 0 HA ALA A 83 14.722 -19.073 -6.166 1.00 54.40 H new ATOM 0 HB1 ALA A 83 15.677 -20.972 -7.427 1.00 22.00 H new ATOM 0 HB2 ALA A 83 14.137 -21.404 -6.645 1.00 22.00 H new ATOM 0 HB3 ALA A 83 14.186 -21.071 -8.393 1.00 22.00 H new ATOM 1310 N VAL A 84 14.519 -18.462 -9.408 1.00 75.22 N ATOM 1311 CA VAL A 84 15.099 -17.671 -10.487 1.00 1.22 C ATOM 1312 C VAL A 84 15.113 -16.188 -10.134 1.00 52.32 C ATOM 1313 O VAL A 84 16.056 -15.468 -10.467 1.00 33.21 O ATOM 1314 CB VAL A 84 14.328 -17.867 -11.805 1.00 60.23 C ATOM 1315 CG1 VAL A 84 14.987 -17.085 -12.931 1.00 21.31 C ATOM 1316 CG2 VAL A 84 14.236 -19.345 -12.154 1.00 22.33 C ATOM 0 H VAL A 84 13.701 -19.008 -9.679 1.00 75.22 H new ATOM 0 HA VAL A 84 16.123 -18.020 -10.620 1.00 1.22 H new ATOM 0 HB VAL A 84 13.316 -17.485 -11.673 1.00 60.23 H new ATOM 0 HG11 VAL A 84 14.428 -17.236 -13.854 1.00 21.31 H new ATOM 0 HG12 VAL A 84 14.995 -16.024 -12.681 1.00 21.31 H new ATOM 0 HG13 VAL A 84 16.011 -17.434 -13.066 1.00 21.31 H new ATOM 0 HG21 VAL A 84 13.688 -19.465 -13.088 1.00 22.33 H new ATOM 0 HG22 VAL A 84 15.239 -19.755 -12.267 1.00 22.33 H new ATOM 0 HG23 VAL A 84 13.715 -19.875 -11.357 1.00 22.33 H new ATOM 1326 N LEU A 85 14.062 -15.736 -9.460 1.00 14.25 N ATOM 1327 CA LEU A 85 13.951 -14.337 -9.060 1.00 1.22 C ATOM 1328 C LEU A 85 14.960 -14.002 -7.965 1.00 70.12 C ATOM 1329 O LEU A 85 15.681 -13.008 -8.054 1.00 10.01 O ATOM 1330 CB LEU A 85 12.534 -14.034 -8.572 1.00 63.34 C ATOM 1331 CG LEU A 85 12.036 -12.607 -8.800 1.00 32.41 C ATOM 1332 CD1 LEU A 85 10.835 -12.603 -9.734 1.00 73.22 C ATOM 1333 CD2 LEU A 85 11.685 -11.947 -7.474 1.00 40.02 C ATOM 0 H LEU A 85 13.273 -16.318 -9.178 1.00 14.25 H new ATOM 0 HA LEU A 85 14.168 -13.719 -9.931 1.00 1.22 H new ATOM 0 HB2 LEU A 85 11.847 -14.721 -9.066 1.00 63.34 H new ATOM 0 HB3 LEU A 85 12.486 -14.248 -7.504 1.00 63.34 H new ATOM 0 HG LEU A 85 12.836 -12.034 -9.268 1.00 32.41 H new ATOM 0 HD11 LEU A 85 10.494 -11.579 -9.884 1.00 73.22 H new ATOM 0 HD12 LEU A 85 11.119 -13.036 -10.693 1.00 73.22 H new ATOM 0 HD13 LEU A 85 10.030 -13.192 -9.294 1.00 73.22 H new ATOM 0 HD21 LEU A 85 11.332 -10.932 -7.655 1.00 40.02 H new ATOM 0 HD22 LEU A 85 10.902 -12.520 -6.978 1.00 40.02 H new ATOM 0 HD23 LEU A 85 12.569 -11.916 -6.838 1.00 40.02 H new ATOM 1345 N TYR A 86 15.006 -14.840 -6.935 1.00 41.31 N ATOM 1346 CA TYR A 86 15.926 -14.633 -5.824 1.00 13.24 C ATOM 1347 C TYR A 86 17.354 -14.440 -6.325 1.00 52.13 C ATOM 1348 O TYR A 86 18.047 -13.506 -5.919 1.00 72.10 O ATOM 1349 CB TYR A 86 15.868 -15.818 -4.858 1.00 41.45 C ATOM 1350 CG TYR A 86 16.896 -15.748 -3.752 1.00 22.40 C ATOM 1351 CD1 TYR A 86 16.633 -15.059 -2.574 1.00 64.30 C ATOM 1352 CD2 TYR A 86 18.131 -16.374 -3.884 1.00 13.34 C ATOM 1353 CE1 TYR A 86 17.570 -14.993 -1.561 1.00 44.02 C ATOM 1354 CE2 TYR A 86 19.073 -16.314 -2.874 1.00 73.45 C ATOM 1355 CZ TYR A 86 18.788 -15.622 -1.716 1.00 33.12 C ATOM 1356 OH TYR A 86 19.723 -15.560 -0.708 1.00 10.12 O ATOM 0 H TYR A 86 14.417 -15.668 -6.847 1.00 41.31 H new ATOM 0 HA TYR A 86 15.621 -13.728 -5.298 1.00 13.24 H new ATOM 0 HB2 TYR A 86 14.873 -15.867 -4.415 1.00 41.45 H new ATOM 0 HB3 TYR A 86 16.013 -16.741 -5.419 1.00 41.45 H new ATOM 0 HD1 TYR A 86 15.680 -14.567 -2.448 1.00 64.30 H new ATOM 0 HD2 TYR A 86 18.358 -16.916 -4.790 1.00 13.34 H new ATOM 0 HE1 TYR A 86 17.350 -14.452 -0.653 1.00 44.02 H new ATOM 0 HE2 TYR A 86 20.027 -16.806 -2.991 1.00 73.45 H new ATOM 0 HH TYR A 86 20.485 -16.133 -0.933 1.00 10.12 H new ATOM 1366 N CYS A 87 17.787 -15.329 -7.212 1.00 74.43 N ATOM 1367 CA CYS A 87 19.132 -15.259 -7.771 1.00 70.13 C ATOM 1368 C CYS A 87 19.404 -13.879 -8.361 1.00 22.42 C ATOM 1369 O CYS A 87 20.544 -13.417 -8.386 1.00 4.45 O ATOM 1370 CB CYS A 87 19.317 -16.331 -8.846 1.00 20.53 C ATOM 1371 SG CYS A 87 19.185 -18.026 -8.228 1.00 74.31 S ATOM 0 H CYS A 87 17.226 -16.107 -7.559 1.00 74.43 H new ATOM 0 HA CYS A 87 19.843 -15.437 -6.965 1.00 70.13 H new ATOM 0 HB2 CYS A 87 18.571 -16.181 -9.626 1.00 20.53 H new ATOM 0 HB3 CYS A 87 20.294 -16.200 -9.310 1.00 20.53 H new ATOM 0 HG CYS A 87 17.942 -18.294 -7.959 1.00 74.31 H new ATOM 1377 N VAL A 88 18.349 -13.226 -8.838 1.00 13.23 N ATOM 1378 CA VAL A 88 18.474 -11.899 -9.428 1.00 23.24 C ATOM 1379 C VAL A 88 18.763 -10.848 -8.361 1.00 64.14 C ATOM 1380 O VAL A 88 19.599 -9.965 -8.556 1.00 3.22 O ATOM 1381 CB VAL A 88 17.196 -11.502 -10.191 1.00 45.11 C ATOM 1382 CG1 VAL A 88 17.410 -10.200 -10.948 1.00 52.43 C ATOM 1383 CG2 VAL A 88 16.774 -12.615 -11.138 1.00 20.24 C ATOM 0 H VAL A 88 17.398 -13.595 -8.827 1.00 13.23 H new ATOM 0 HA VAL A 88 19.308 -11.941 -10.128 1.00 23.24 H new ATOM 0 HB VAL A 88 16.395 -11.348 -9.468 1.00 45.11 H new ATOM 0 HG11 VAL A 88 16.497 -9.935 -11.481 1.00 52.43 H new ATOM 0 HG12 VAL A 88 17.662 -9.407 -10.244 1.00 52.43 H new ATOM 0 HG13 VAL A 88 18.224 -10.324 -11.662 1.00 52.43 H new ATOM 0 HG21 VAL A 88 15.870 -12.318 -11.669 1.00 20.24 H new ATOM 0 HG22 VAL A 88 17.571 -12.803 -11.857 1.00 20.24 H new ATOM 0 HG23 VAL A 88 16.578 -13.523 -10.568 1.00 20.24 H new ATOM 1393 N HIS A 89 18.066 -10.950 -7.234 1.00 0.00 N ATOM 1394 CA HIS A 89 18.249 -10.008 -6.135 1.00 72.52 C ATOM 1395 C HIS A 89 19.571 -10.261 -5.418 1.00 25.30 C ATOM 1396 O HIS A 89 20.104 -9.302 -4.861 1.00 30.15 O ATOM 1397 CB HIS A 89 17.089 -10.118 -5.143 1.00 42.43 C ATOM 1398 CG HIS A 89 15.764 -9.735 -5.727 1.00 51.50 C ATOM 1399 ND1 HIS A 89 15.631 -8.848 -6.774 1.00 53.24 N ATOM 1400 CD2 HIS A 89 14.509 -10.124 -5.406 1.00 21.35 C ATOM 1401 CE1 HIS A 89 14.351 -8.709 -7.070 1.00 54.22 C ATOM 1402 NE2 HIS A 89 13.649 -9.473 -6.254 1.00 33.44 N ATOM 0 H HIS A 89 17.370 -11.674 -7.058 1.00 0.00 H new ATOM 0 HA HIS A 89 18.268 -9.001 -6.551 1.00 72.52 H new ATOM 0 HB2 HIS A 89 17.032 -11.142 -4.775 1.00 42.43 H new ATOM 0 HB3 HIS A 89 17.296 -9.481 -4.283 1.00 42.43 H new ATOM 0 HD1 HIS A 89 16.400 -8.373 -7.246 1.00 53.24 H new ATOM 0 HD2 HIS A 89 14.234 -10.819 -4.626 1.00 21.35 H new ATOM 0 HE1 HIS A 89 13.947 -8.077 -7.848 1.00 54.22 H new ATOM 0 HE2 HIS A 89 12.633 -9.564 -6.254 1.00 33.44 H new ATOM 1411 N GLN A 90 20.096 -11.482 -5.417 1.00 61.32 N ATOM 1412 CA GLN A 90 21.358 -11.772 -4.744 1.00 55.32 C ATOM 1413 C GLN A 90 22.543 -11.420 -5.638 1.00 25.44 C ATOM 1414 O GLN A 90 23.222 -10.417 -5.419 1.00 10.14 O ATOM 1415 CB GLN A 90 21.422 -13.247 -4.348 1.00 70.20 C ATOM 1416 CG GLN A 90 21.201 -13.488 -2.863 1.00 21.05 C ATOM 1417 CD GLN A 90 22.354 -12.990 -2.014 1.00 25.43 C ATOM 1418 OE1 GLN A 90 22.834 -11.871 -2.193 1.00 2.33 O ATOM 1419 NE2 GLN A 90 22.806 -13.822 -1.082 1.00 53.14 N ATOM 0 H GLN A 90 19.668 -12.287 -5.874 1.00 61.32 H new ATOM 0 HA GLN A 90 21.411 -11.160 -3.843 1.00 55.32 H new ATOM 0 HB2 GLN A 90 20.671 -13.799 -4.913 1.00 70.20 H new ATOM 0 HB3 GLN A 90 22.394 -13.649 -4.632 1.00 70.20 H new ATOM 0 HG2 GLN A 90 20.283 -12.990 -2.551 1.00 21.05 H new ATOM 0 HG3 GLN A 90 21.060 -14.555 -2.689 1.00 21.05 H new ATOM 0 HE21 GLN A 90 22.378 -14.741 -0.968 1.00 53.14 H new ATOM 0 HE22 GLN A 90 23.581 -13.542 -0.480 1.00 53.14 H new ATOM 1428 N ARG A 91 22.787 -12.254 -6.643 1.00 75.33 N ATOM 1429 CA ARG A 91 23.892 -12.033 -7.568 1.00 53.01 C ATOM 1430 C ARG A 91 23.935 -13.123 -8.634 1.00 43.30 C ATOM 1431 O ARG A 91 24.282 -12.864 -9.787 1.00 22.22 O ATOM 1432 CB ARG A 91 25.219 -11.993 -6.810 1.00 43.40 C ATOM 1433 CG ARG A 91 25.391 -13.135 -5.821 1.00 43.41 C ATOM 1434 CD ARG A 91 26.679 -12.994 -5.025 1.00 71.11 C ATOM 1435 NE ARG A 91 26.645 -13.767 -3.787 1.00 65.31 N ATOM 1436 CZ ARG A 91 27.555 -13.657 -2.827 1.00 22.11 C ATOM 1437 NH1 ARG A 91 28.566 -12.810 -2.960 1.00 55.12 N1+ ATOM 1438 NH2 ARG A 91 27.456 -14.396 -1.729 1.00 73.12 N ATOM 0 H ARG A 91 22.234 -13.089 -6.838 1.00 75.33 H new ATOM 0 HA ARG A 91 23.734 -11.074 -8.061 1.00 53.01 H new ATOM 0 HB2 ARG A 91 26.039 -12.019 -7.528 1.00 43.40 H new ATOM 0 HB3 ARG A 91 25.294 -11.046 -6.275 1.00 43.40 H new ATOM 0 HG2 ARG A 91 24.541 -13.158 -5.139 1.00 43.41 H new ATOM 0 HG3 ARG A 91 25.395 -14.084 -6.357 1.00 43.41 H new ATOM 0 HD2 ARG A 91 27.520 -13.324 -5.635 1.00 71.11 H new ATOM 0 HD3 ARG A 91 26.847 -11.943 -4.791 1.00 71.11 H new ATOM 0 HE ARG A 91 25.880 -14.428 -3.652 1.00 65.31 H new ATOM 0 HH11 ARG A 91 28.646 -12.240 -3.802 1.00 55.12 H new ATOM 0 HH12 ARG A 91 29.263 -12.728 -2.220 1.00 55.12 H new ATOM 0 HH21 ARG A 91 26.680 -15.049 -1.622 1.00 73.12 H new ATOM 0 HH22 ARG A 91 28.156 -14.311 -0.992 1.00 73.12 H new ATOM 1452 N ILE A 92 23.582 -14.342 -8.241 1.00 34.14 N ATOM 1453 CA ILE A 92 23.580 -15.471 -9.163 1.00 22.13 C ATOM 1454 C ILE A 92 22.793 -15.147 -10.427 1.00 44.05 C ATOM 1455 O ILE A 92 21.648 -14.698 -10.361 1.00 22.23 O ATOM 1456 CB ILE A 92 22.984 -16.731 -8.508 1.00 64.41 C ATOM 1457 CG1 ILE A 92 23.774 -17.103 -7.252 1.00 22.12 C ATOM 1458 CG2 ILE A 92 22.975 -17.888 -9.497 1.00 73.10 C ATOM 1459 CD1 ILE A 92 22.953 -17.047 -5.983 1.00 1.14 C ATOM 0 H ILE A 92 23.294 -14.573 -7.290 1.00 34.14 H new ATOM 0 HA ILE A 92 24.620 -15.666 -9.426 1.00 22.13 H new ATOM 0 HB ILE A 92 21.955 -16.519 -8.217 1.00 64.41 H new ATOM 0 HG12 ILE A 92 24.177 -18.109 -7.371 1.00 22.12 H new ATOM 0 HG13 ILE A 92 24.625 -16.429 -7.155 1.00 22.12 H new ATOM 0 HG21 ILE A 92 22.551 -18.771 -9.020 1.00 73.10 H new ATOM 0 HG22 ILE A 92 22.372 -17.620 -10.365 1.00 73.10 H new ATOM 0 HG23 ILE A 92 23.995 -18.102 -9.816 1.00 73.10 H new ATOM 0 HD11 ILE A 92 23.577 -17.323 -5.133 1.00 1.14 H new ATOM 0 HD12 ILE A 92 22.572 -16.036 -5.840 1.00 1.14 H new ATOM 0 HD13 ILE A 92 22.117 -17.742 -6.060 1.00 1.14 H new ATOM 1471 N ASP A 93 23.412 -15.380 -11.579 1.00 64.33 N ATOM 1472 CA ASP A 93 22.768 -15.117 -12.861 1.00 14.23 C ATOM 1473 C ASP A 93 22.600 -16.405 -13.660 1.00 15.42 C ATOM 1474 O ASP A 93 23.092 -16.519 -14.783 1.00 73.24 O ATOM 1475 CB ASP A 93 23.584 -14.104 -13.666 1.00 63.53 C ATOM 1476 CG ASP A 93 23.543 -12.715 -13.062 1.00 32.02 C ATOM 1477 OD1 ASP A 93 22.428 -12.201 -12.830 1.00 71.20 O ATOM 1478 OD2 ASP A 93 24.625 -12.141 -12.820 1.00 14.23 O1- ATOM 0 H ASP A 93 24.359 -15.751 -11.652 1.00 64.33 H new ATOM 0 HA ASP A 93 21.779 -14.702 -12.665 1.00 14.23 H new ATOM 0 HB2 ASP A 93 24.619 -14.441 -13.725 1.00 63.53 H new ATOM 0 HB3 ASP A 93 23.203 -14.064 -14.687 1.00 63.53 H new ATOM 1483 N VAL A 94 21.904 -17.372 -13.073 1.00 33.50 N ATOM 1484 CA VAL A 94 21.670 -18.653 -13.730 1.00 43.51 C ATOM 1485 C VAL A 94 21.099 -18.456 -15.130 1.00 42.14 C ATOM 1486 O VAL A 94 20.574 -17.392 -15.455 1.00 15.43 O ATOM 1487 CB VAL A 94 20.707 -19.536 -12.915 1.00 30.33 C ATOM 1488 CG1 VAL A 94 21.298 -19.850 -11.548 1.00 15.42 C ATOM 1489 CG2 VAL A 94 19.352 -18.858 -12.775 1.00 43.05 C ATOM 0 H VAL A 94 21.492 -17.293 -12.143 1.00 33.50 H new ATOM 0 HA VAL A 94 22.636 -19.153 -13.801 1.00 43.51 H new ATOM 0 HB VAL A 94 20.565 -20.476 -13.448 1.00 30.33 H new ATOM 0 HG11 VAL A 94 20.604 -20.475 -10.986 1.00 15.42 H new ATOM 0 HG12 VAL A 94 22.243 -20.379 -11.673 1.00 15.42 H new ATOM 0 HG13 VAL A 94 21.471 -18.921 -11.005 1.00 15.42 H new ATOM 0 HG21 VAL A 94 18.684 -19.496 -12.196 1.00 43.05 H new ATOM 0 HG22 VAL A 94 19.474 -17.903 -12.264 1.00 43.05 H new ATOM 0 HG23 VAL A 94 18.926 -18.689 -13.764 1.00 43.05 H new ATOM 1499 N LYS A 95 21.203 -19.492 -15.956 1.00 43.44 N ATOM 1500 CA LYS A 95 20.697 -19.436 -17.322 1.00 54.24 C ATOM 1501 C LYS A 95 19.339 -20.124 -17.428 1.00 24.21 C ATOM 1502 O LYS A 95 18.536 -19.802 -18.303 1.00 20.51 O ATOM 1503 CB LYS A 95 21.689 -20.091 -18.285 1.00 11.10 C ATOM 1504 CG LYS A 95 21.475 -19.702 -19.737 1.00 44.43 C ATOM 1505 CD LYS A 95 22.739 -19.120 -20.350 1.00 74.20 C ATOM 1506 CE LYS A 95 22.418 -18.000 -21.329 1.00 22.31 C ATOM 1507 NZ LYS A 95 22.539 -18.449 -22.743 1.00 63.23 N1+ ATOM 0 H LYS A 95 21.634 -20.381 -15.702 1.00 43.44 H new ATOM 0 HA LYS A 95 20.576 -18.387 -17.594 1.00 54.24 H new ATOM 0 HB2 LYS A 95 22.702 -19.818 -17.990 1.00 11.10 H new ATOM 0 HB3 LYS A 95 21.611 -21.174 -18.193 1.00 11.10 H new ATOM 0 HG2 LYS A 95 21.163 -20.577 -20.307 1.00 44.43 H new ATOM 0 HG3 LYS A 95 20.668 -18.973 -19.804 1.00 44.43 H new ATOM 0 HD2 LYS A 95 23.386 -18.740 -19.560 1.00 74.20 H new ATOM 0 HD3 LYS A 95 23.291 -19.907 -20.864 1.00 74.20 H new ATOM 0 HE2 LYS A 95 21.406 -17.638 -21.148 1.00 22.31 H new ATOM 0 HE3 LYS A 95 23.092 -17.161 -21.155 1.00 22.31 H new ATOM 0 HZ1 LYS A 95 22.313 -17.658 -23.379 1.00 63.23 H new ATOM 0 HZ2 LYS A 95 23.511 -18.771 -22.923 1.00 63.23 H new ATOM 0 HZ3 LYS A 95 21.878 -19.233 -22.916 1.00 63.23 H new ATOM 1521 N ASP A 96 19.091 -21.071 -16.531 1.00 25.42 N ATOM 1522 CA ASP A 96 17.831 -21.805 -16.521 1.00 72.11 C ATOM 1523 C ASP A 96 17.349 -22.039 -15.092 1.00 53.33 C ATOM 1524 O ASP A 96 18.072 -21.778 -14.130 1.00 43.32 O ATOM 1525 CB ASP A 96 17.989 -23.142 -17.245 1.00 60.52 C ATOM 1526 CG ASP A 96 19.304 -23.824 -16.923 1.00 52.43 C ATOM 1527 OD1 ASP A 96 19.406 -24.439 -15.841 1.00 51.43 O ATOM 1528 OD2 ASP A 96 20.233 -23.742 -17.754 1.00 71.43 O1- ATOM 0 H ASP A 96 19.746 -21.349 -15.800 1.00 25.42 H new ATOM 0 HA ASP A 96 17.085 -21.205 -17.043 1.00 72.11 H new ATOM 0 HB2 ASP A 96 17.165 -23.800 -16.970 1.00 60.52 H new ATOM 0 HB3 ASP A 96 17.921 -22.979 -18.321 1.00 60.52 H new ATOM 1533 N THR A 97 16.121 -22.532 -14.960 1.00 44.12 N ATOM 1534 CA THR A 97 15.542 -22.799 -13.651 1.00 24.14 C ATOM 1535 C THR A 97 16.224 -23.985 -12.978 1.00 43.13 C ATOM 1536 O THR A 97 16.239 -24.094 -11.753 1.00 31.01 O ATOM 1537 CB THR A 97 14.030 -23.081 -13.752 1.00 1.44 C ATOM 1538 OG1 THR A 97 13.358 -21.948 -14.311 1.00 53.10 O ATOM 1539 CG2 THR A 97 13.447 -23.400 -12.383 1.00 41.12 C ATOM 0 H THR A 97 15.509 -22.754 -15.745 1.00 44.12 H new ATOM 0 HA THR A 97 15.699 -21.904 -13.049 1.00 24.14 H new ATOM 0 HB THR A 97 13.885 -23.945 -14.401 1.00 1.44 H new ATOM 0 HG1 THR A 97 12.823 -22.232 -15.081 1.00 53.10 H new ATOM 0 HG21 THR A 97 12.379 -23.595 -12.479 1.00 41.12 H new ATOM 0 HG22 THR A 97 13.942 -24.281 -11.973 1.00 41.12 H new ATOM 0 HG23 THR A 97 13.602 -22.553 -11.715 1.00 41.12 H new ATOM 1547 N LYS A 98 16.790 -24.873 -13.790 1.00 32.44 N ATOM 1548 CA LYS A 98 17.477 -26.052 -13.274 1.00 14.20 C ATOM 1549 C LYS A 98 18.736 -25.656 -12.507 1.00 61.54 C ATOM 1550 O LYS A 98 18.997 -26.171 -11.421 1.00 2.13 O ATOM 1551 CB LYS A 98 17.842 -26.997 -14.421 1.00 31.23 C ATOM 1552 CG LYS A 98 18.386 -28.337 -13.955 1.00 45.32 C ATOM 1553 CD LYS A 98 17.266 -29.304 -13.610 1.00 44.54 C ATOM 1554 CE LYS A 98 17.081 -29.428 -12.106 1.00 51.50 C ATOM 1555 NZ LYS A 98 15.648 -29.590 -11.734 1.00 24.30 N1+ ATOM 0 H LYS A 98 16.786 -24.798 -14.807 1.00 32.44 H new ATOM 0 HA LYS A 98 16.802 -26.565 -12.589 1.00 14.20 H new ATOM 0 HB2 LYS A 98 16.958 -27.167 -15.036 1.00 31.23 H new ATOM 0 HB3 LYS A 98 18.584 -26.514 -15.056 1.00 31.23 H new ATOM 0 HG2 LYS A 98 19.012 -28.768 -14.736 1.00 45.32 H new ATOM 0 HG3 LYS A 98 19.022 -28.189 -13.082 1.00 45.32 H new ATOM 0 HD2 LYS A 98 16.336 -28.963 -14.065 1.00 44.54 H new ATOM 0 HD3 LYS A 98 17.487 -30.284 -14.033 1.00 44.54 H new ATOM 0 HE2 LYS A 98 17.650 -30.282 -11.740 1.00 51.50 H new ATOM 0 HE3 LYS A 98 17.485 -28.542 -11.616 1.00 51.50 H new ATOM 0 HZ1 LYS A 98 15.565 -29.671 -10.701 1.00 24.30 H new ATOM 0 HZ2 LYS A 98 15.109 -28.763 -12.061 1.00 24.30 H new ATOM 0 HZ3 LYS A 98 15.268 -30.449 -12.180 1.00 24.30 H new ATOM 1569 N GLU A 99 19.509 -24.739 -13.080 1.00 34.31 N ATOM 1570 CA GLU A 99 20.738 -24.275 -12.449 1.00 33.54 C ATOM 1571 C GLU A 99 20.433 -23.490 -11.176 1.00 12.30 C ATOM 1572 O GLU A 99 21.123 -23.632 -10.167 1.00 43.31 O ATOM 1573 CB GLU A 99 21.539 -23.403 -13.419 1.00 33.40 C ATOM 1574 CG GLU A 99 22.958 -23.894 -13.648 1.00 61.11 C ATOM 1575 CD GLU A 99 23.447 -23.625 -15.058 1.00 4.11 C ATOM 1576 OE1 GLU A 99 22.648 -23.789 -16.004 1.00 65.52 O ATOM 1577 OE2 GLU A 99 24.629 -23.252 -15.216 1.00 31.42 O1- ATOM 0 H GLU A 99 19.306 -24.303 -13.980 1.00 34.31 H new ATOM 0 HA GLU A 99 21.332 -25.150 -12.183 1.00 33.54 H new ATOM 0 HB2 GLU A 99 21.018 -23.365 -14.376 1.00 33.40 H new ATOM 0 HB3 GLU A 99 21.574 -22.384 -13.034 1.00 33.40 H new ATOM 0 HG2 GLU A 99 23.626 -23.408 -12.937 1.00 61.11 H new ATOM 0 HG3 GLU A 99 23.005 -24.965 -13.449 1.00 61.11 H new ATOM 1584 N ALA A 100 19.396 -22.662 -11.233 1.00 34.10 N ATOM 1585 CA ALA A 100 18.998 -21.855 -10.085 1.00 23.22 C ATOM 1586 C ALA A 100 18.657 -22.735 -8.887 1.00 71.25 C ATOM 1587 O ALA A 100 18.941 -22.381 -7.742 1.00 74.13 O ATOM 1588 CB ALA A 100 17.815 -20.970 -10.446 1.00 64.13 C ATOM 0 H ALA A 100 18.816 -22.532 -12.062 1.00 34.10 H new ATOM 0 HA ALA A 100 19.840 -21.221 -9.809 1.00 23.22 H new ATOM 0 HB1 ALA A 100 17.529 -20.374 -9.580 1.00 64.13 H new ATOM 0 HB2 ALA A 100 18.093 -20.308 -11.266 1.00 64.13 H new ATOM 0 HB3 ALA A 100 16.974 -21.593 -10.751 1.00 64.13 H new ATOM 1594 N LEU A 101 18.046 -23.884 -9.158 1.00 2.11 N ATOM 1595 CA LEU A 101 17.664 -24.815 -8.103 1.00 25.25 C ATOM 1596 C LEU A 101 18.892 -25.506 -7.516 1.00 2.33 C ATOM 1597 O LEU A 101 18.848 -26.035 -6.406 1.00 33.43 O ATOM 1598 CB LEU A 101 16.688 -25.860 -8.645 1.00 63.32 C ATOM 1599 CG LEU A 101 15.479 -26.172 -7.762 1.00 23.13 C ATOM 1600 CD1 LEU A 101 15.925 -26.790 -6.446 1.00 1.43 C ATOM 1601 CD2 LEU A 101 14.662 -24.913 -7.513 1.00 20.22 C ATOM 0 H LEU A 101 17.805 -24.192 -10.100 1.00 2.11 H new ATOM 0 HA LEU A 101 17.175 -24.247 -7.311 1.00 25.25 H new ATOM 0 HB2 LEU A 101 16.326 -25.521 -9.615 1.00 63.32 H new ATOM 0 HB3 LEU A 101 17.237 -26.786 -8.816 1.00 63.32 H new ATOM 0 HG LEU A 101 14.849 -26.893 -8.283 1.00 23.13 H new ATOM 0 HD11 LEU A 101 15.051 -27.005 -5.831 1.00 1.43 H new ATOM 0 HD12 LEU A 101 16.467 -27.715 -6.644 1.00 1.43 H new ATOM 0 HD13 LEU A 101 16.577 -26.093 -5.919 1.00 1.43 H new ATOM 0 HD21 LEU A 101 13.806 -25.154 -6.883 1.00 20.22 H new ATOM 0 HD22 LEU A 101 15.283 -24.169 -7.013 1.00 20.22 H new ATOM 0 HD23 LEU A 101 14.311 -24.513 -8.464 1.00 20.22 H new ATOM 1613 N ASP A 102 19.987 -25.494 -8.268 1.00 11.25 N ATOM 1614 CA ASP A 102 21.227 -26.116 -7.821 1.00 4.51 C ATOM 1615 C ASP A 102 22.095 -25.116 -7.064 1.00 15.11 C ATOM 1616 O ASP A 102 22.695 -25.447 -6.041 1.00 23.02 O ATOM 1617 CB ASP A 102 22.001 -26.677 -9.016 1.00 73.00 C ATOM 1618 CG ASP A 102 22.758 -27.944 -8.672 1.00 4.23 C ATOM 1619 OD1 ASP A 102 22.103 -28.969 -8.390 1.00 70.23 O ATOM 1620 OD2 ASP A 102 24.006 -27.911 -8.686 1.00 12.22 O1- ATOM 0 H ASP A 102 20.041 -25.060 -9.190 1.00 11.25 H new ATOM 0 HA ASP A 102 20.971 -26.933 -7.146 1.00 4.51 H new ATOM 0 HB2 ASP A 102 21.307 -26.882 -9.831 1.00 73.00 H new ATOM 0 HB3 ASP A 102 22.702 -25.925 -9.376 1.00 73.00 H new ATOM 1625 N LYS A 103 22.157 -23.890 -7.572 1.00 35.32 N ATOM 1626 CA LYS A 103 22.950 -22.839 -6.944 1.00 63.40 C ATOM 1627 C LYS A 103 22.302 -22.371 -5.645 1.00 73.12 C ATOM 1628 O LYS A 103 22.982 -21.886 -4.741 1.00 3.34 O ATOM 1629 CB LYS A 103 23.115 -21.656 -7.899 1.00 51.45 C ATOM 1630 CG LYS A 103 24.494 -21.022 -7.850 1.00 55.40 C ATOM 1631 CD LYS A 103 25.459 -21.709 -8.800 1.00 60.02 C ATOM 1632 CE LYS A 103 26.674 -20.839 -9.088 1.00 32.31 C ATOM 1633 NZ LYS A 103 26.372 -19.776 -10.084 1.00 74.14 N1+ ATOM 0 H LYS A 103 21.667 -23.599 -8.418 1.00 35.32 H new ATOM 0 HA LYS A 103 23.933 -23.250 -6.712 1.00 63.40 H new ATOM 0 HB2 LYS A 103 22.914 -21.991 -8.917 1.00 51.45 H new ATOM 0 HB3 LYS A 103 22.368 -20.899 -7.659 1.00 51.45 H new ATOM 0 HG2 LYS A 103 24.419 -19.966 -8.108 1.00 55.40 H new ATOM 0 HG3 LYS A 103 24.884 -21.075 -6.833 1.00 55.40 H new ATOM 0 HD2 LYS A 103 25.783 -22.656 -8.369 1.00 60.02 H new ATOM 0 HD3 LYS A 103 24.948 -21.942 -9.734 1.00 60.02 H new ATOM 0 HE2 LYS A 103 27.020 -20.381 -8.162 1.00 32.31 H new ATOM 0 HE3 LYS A 103 27.488 -21.463 -9.458 1.00 32.31 H new ATOM 0 HZ1 LYS A 103 27.246 -19.504 -10.577 1.00 74.14 H new ATOM 0 HZ2 LYS A 103 25.682 -20.134 -10.775 1.00 74.14 H new ATOM 0 HZ3 LYS A 103 25.976 -18.946 -9.597 1.00 74.14 H new ATOM 1647 N ILE A 104 20.985 -22.521 -5.559 1.00 74.21 N ATOM 1648 CA ILE A 104 20.246 -22.116 -4.369 1.00 23.11 C ATOM 1649 C ILE A 104 20.672 -22.932 -3.153 1.00 14.31 C ATOM 1650 O ILE A 104 20.592 -22.460 -2.019 1.00 11.00 O ATOM 1651 CB ILE A 104 18.727 -22.270 -4.570 1.00 31.30 C ATOM 1652 CG1 ILE A 104 17.968 -21.585 -3.432 1.00 52.23 C ATOM 1653 CG2 ILE A 104 18.350 -23.743 -4.654 1.00 40.54 C ATOM 1654 CD1 ILE A 104 17.193 -20.363 -3.872 1.00 10.11 C ATOM 0 H ILE A 104 20.407 -22.920 -6.299 1.00 74.21 H new ATOM 0 HA ILE A 104 20.477 -21.065 -4.197 1.00 23.11 H new ATOM 0 HB ILE A 104 18.449 -21.790 -5.508 1.00 31.30 H new ATOM 0 HG12 ILE A 104 17.279 -22.300 -2.984 1.00 52.23 H new ATOM 0 HG13 ILE A 104 18.677 -21.296 -2.656 1.00 52.23 H new ATOM 0 HG21 ILE A 104 17.273 -23.835 -4.796 1.00 40.54 H new ATOM 0 HG22 ILE A 104 18.868 -24.204 -5.495 1.00 40.54 H new ATOM 0 HG23 ILE A 104 18.639 -24.246 -3.731 1.00 40.54 H new ATOM 0 HD11 ILE A 104 16.680 -19.929 -3.014 1.00 10.11 H new ATOM 0 HD12 ILE A 104 17.880 -19.629 -4.294 1.00 10.11 H new ATOM 0 HD13 ILE A 104 16.460 -20.649 -4.626 1.00 10.11 H new ATOM 1666 N GLU A 105 21.128 -24.156 -3.398 1.00 54.44 N ATOM 1667 CA GLU A 105 21.568 -25.036 -2.323 1.00 73.50 C ATOM 1668 C GLU A 105 22.988 -24.691 -1.885 1.00 21.12 C ATOM 1669 O GLU A 105 23.341 -24.839 -0.715 1.00 21.33 O ATOM 1670 CB GLU A 105 21.502 -26.498 -2.770 1.00 75.24 C ATOM 1671 CG GLU A 105 20.411 -27.297 -2.077 1.00 34.22 C ATOM 1672 CD GLU A 105 20.520 -28.786 -2.342 1.00 40.05 C ATOM 1673 OE1 GLU A 105 21.621 -29.344 -2.151 1.00 55.25 O1- ATOM 1674 OE2 GLU A 105 19.504 -29.393 -2.741 1.00 3.22 O ATOM 0 H GLU A 105 21.202 -24.560 -4.331 1.00 54.44 H new ATOM 0 HA GLU A 105 20.899 -24.893 -1.475 1.00 73.50 H new ATOM 0 HB2 GLU A 105 21.338 -26.533 -3.847 1.00 75.24 H new ATOM 0 HB3 GLU A 105 22.465 -26.972 -2.579 1.00 75.24 H new ATOM 0 HG2 GLU A 105 20.462 -27.118 -1.003 1.00 34.22 H new ATOM 0 HG3 GLU A 105 19.437 -26.942 -2.413 1.00 34.22 H new ATOM 1681 N GLU A 106 23.799 -24.232 -2.833 1.00 63.21 N ATOM 1682 CA GLU A 106 25.181 -23.868 -2.545 1.00 25.34 C ATOM 1683 C GLU A 106 25.244 -22.604 -1.692 1.00 42.34 C ATOM 1684 O GLU A 106 26.143 -22.445 -0.867 1.00 11.12 O ATOM 1685 CB GLU A 106 25.959 -23.658 -3.846 1.00 73.21 C ATOM 1686 CG GLU A 106 27.362 -24.239 -3.818 1.00 21.14 C ATOM 1687 CD GLU A 106 28.340 -23.364 -3.058 1.00 72.10 C ATOM 1688 OE1 GLU A 106 28.691 -22.282 -3.571 1.00 12.32 O1- ATOM 1689 OE2 GLU A 106 28.755 -23.763 -1.949 1.00 63.51 O ATOM 0 H GLU A 106 23.523 -24.104 -3.806 1.00 63.21 H new ATOM 0 HA GLU A 106 25.636 -24.686 -1.986 1.00 25.34 H new ATOM 0 HB2 GLU A 106 25.404 -24.110 -4.668 1.00 73.21 H new ATOM 0 HB3 GLU A 106 26.022 -22.590 -4.053 1.00 73.21 H new ATOM 0 HG2 GLU A 106 27.333 -25.228 -3.360 1.00 21.14 H new ATOM 0 HG3 GLU A 106 27.717 -24.372 -4.840 1.00 21.14 H new ATOM 1696 N GLU A 107 24.284 -21.709 -1.900 1.00 10.33 N ATOM 1697 CA GLU A 107 24.232 -20.459 -1.152 1.00 15.23 C ATOM 1698 C GLU A 107 23.820 -20.708 0.297 1.00 50.41 C ATOM 1699 O GLU A 107 24.164 -19.936 1.192 1.00 62.12 O ATOM 1700 CB GLU A 107 23.254 -19.483 -1.810 1.00 64.30 C ATOM 1701 CG GLU A 107 23.823 -18.089 -2.007 1.00 34.13 C ATOM 1702 CD GLU A 107 22.761 -17.010 -1.936 1.00 35.13 C ATOM 1703 OE1 GLU A 107 22.000 -16.989 -0.945 1.00 0.25 O1- ATOM 1704 OE2 GLU A 107 22.689 -16.186 -2.871 1.00 54.32 O ATOM 0 H GLU A 107 23.532 -21.826 -2.580 1.00 10.33 H new ATOM 0 HA GLU A 107 25.230 -20.021 -1.159 1.00 15.23 H new ATOM 0 HB2 GLU A 107 22.952 -19.883 -2.778 1.00 64.30 H new ATOM 0 HB3 GLU A 107 22.355 -19.416 -1.198 1.00 64.30 H new ATOM 0 HG2 GLU A 107 24.580 -17.899 -1.246 1.00 34.13 H new ATOM 0 HG3 GLU A 107 24.323 -18.038 -2.974 1.00 34.13 H new ATOM 1711 N GLN A 108 23.082 -21.790 0.518 1.00 60.12 N ATOM 1712 CA GLN A 108 22.622 -22.141 1.856 1.00 21.43 C ATOM 1713 C GLN A 108 23.686 -22.936 2.606 1.00 32.25 C ATOM 1714 O GLN A 108 23.863 -22.770 3.812 1.00 33.31 O ATOM 1715 CB GLN A 108 21.325 -22.948 1.778 1.00 24.22 C ATOM 1716 CG GLN A 108 20.086 -22.147 2.141 1.00 54.45 C ATOM 1717 CD GLN A 108 20.120 -21.634 3.568 1.00 45.43 C ATOM 1718 OE1 GLN A 108 20.636 -22.298 4.466 1.00 63.43 O ATOM 1719 NE2 GLN A 108 19.570 -20.444 3.781 1.00 20.44 N ATOM 0 H GLN A 108 22.790 -22.439 -0.212 1.00 60.12 H new ATOM 0 HA GLN A 108 22.433 -21.217 2.402 1.00 21.43 H new ATOM 0 HB2 GLN A 108 21.211 -23.339 0.767 1.00 24.22 H new ATOM 0 HB3 GLN A 108 21.401 -23.806 2.445 1.00 24.22 H new ATOM 0 HG2 GLN A 108 19.990 -21.303 1.458 1.00 54.45 H new ATOM 0 HG3 GLN A 108 19.202 -22.770 2.004 1.00 54.45 H new ATOM 0 HE21 GLN A 108 19.153 -19.929 3.006 1.00 20.44 H new ATOM 0 HE22 GLN A 108 19.564 -20.046 4.720 1.00 20.44 H new ATOM 1728 N ASN A 109 24.390 -23.800 1.884 1.00 3.31 N ATOM 1729 CA ASN A 109 25.437 -24.622 2.482 1.00 52.04 C ATOM 1730 C ASN A 109 26.455 -23.756 3.217 1.00 0.21 C ATOM 1731 O ASN A 109 26.941 -24.123 4.287 1.00 13.21 O ATOM 1732 CB ASN A 109 26.139 -25.452 1.406 1.00 61.44 C ATOM 1733 CG ASN A 109 25.741 -26.916 1.453 1.00 54.21 C ATOM 1734 OD1 ASN A 109 24.860 -27.355 0.713 1.00 14.51 O ATOM 1735 ND2 ASN A 109 26.390 -27.677 2.325 1.00 14.00 N ATOM 0 H ASN A 109 24.255 -23.950 0.884 1.00 3.31 H new ATOM 0 HA ASN A 109 24.970 -25.294 3.203 1.00 52.04 H new ATOM 0 HB2 ASN A 109 25.900 -25.045 0.424 1.00 61.44 H new ATOM 0 HB3 ASN A 109 27.218 -25.367 1.532 1.00 61.44 H new ATOM 0 HD21 ASN A 109 26.166 -28.669 2.402 1.00 14.00 H new ATOM 0 HD22 ASN A 109 27.113 -27.270 2.918 1.00 14.00 H new ATOM 1742 N LYS A 110 26.774 -22.605 2.635 1.00 53.11 N ATOM 1743 CA LYS A 110 27.733 -21.684 3.235 1.00 51.21 C ATOM 1744 C LYS A 110 27.233 -21.180 4.584 1.00 0.43 C ATOM 1745 O LYS A 110 28.025 -20.858 5.470 1.00 25.12 O ATOM 1746 CB LYS A 110 27.988 -20.501 2.299 1.00 74.14 C ATOM 1747 CG LYS A 110 29.259 -19.734 2.619 1.00 24.23 C ATOM 1748 CD LYS A 110 30.207 -19.705 1.432 1.00 2.25 C ATOM 1749 CE LYS A 110 31.612 -19.297 1.851 1.00 40.40 C ATOM 1750 NZ LYS A 110 31.762 -17.817 1.920 1.00 44.11 N1+ ATOM 0 H LYS A 110 26.383 -22.287 1.748 1.00 53.11 H new ATOM 0 HA LYS A 110 28.667 -22.223 3.393 1.00 51.21 H new ATOM 0 HB2 LYS A 110 28.042 -20.866 1.273 1.00 74.14 H new ATOM 0 HB3 LYS A 110 27.139 -19.819 2.350 1.00 74.14 H new ATOM 0 HG2 LYS A 110 29.006 -18.714 2.909 1.00 24.23 H new ATOM 0 HG3 LYS A 110 29.757 -20.194 3.473 1.00 24.23 H new ATOM 0 HD2 LYS A 110 30.237 -20.689 0.965 1.00 2.25 H new ATOM 0 HD3 LYS A 110 29.833 -19.008 0.683 1.00 2.25 H new ATOM 0 HE2 LYS A 110 31.841 -19.731 2.824 1.00 40.40 H new ATOM 0 HE3 LYS A 110 32.334 -19.703 1.143 1.00 40.40 H new ATOM 0 HZ1 LYS A 110 32.732 -17.580 2.209 1.00 44.11 H new ATOM 0 HZ2 LYS A 110 31.568 -17.404 0.985 1.00 44.11 H new ATOM 0 HZ3 LYS A 110 31.090 -17.432 2.614 1.00 44.11 H new ATOM 1764 N SER A 111 25.913 -21.116 4.735 1.00 3.32 N ATOM 1765 CA SER A 111 25.308 -20.649 5.977 1.00 2.14 C ATOM 1766 C SER A 111 24.825 -21.824 6.822 1.00 54.15 C ATOM 1767 O SER A 111 23.831 -21.720 7.540 1.00 11.41 O ATOM 1768 CB SER A 111 24.140 -19.707 5.677 1.00 11.44 C ATOM 1769 OG SER A 111 23.969 -18.760 6.718 1.00 73.02 O ATOM 0 H SER A 111 25.243 -21.382 4.013 1.00 3.32 H new ATOM 0 HA SER A 111 26.067 -20.107 6.541 1.00 2.14 H new ATOM 0 HB2 SER A 111 24.319 -19.189 4.735 1.00 11.44 H new ATOM 0 HB3 SER A 111 23.225 -20.285 5.553 1.00 11.44 H new ATOM 0 HG SER A 111 23.218 -18.169 6.502 1.00 73.02 H new ATOM 1775 N LYS A 112 25.536 -22.943 6.729 1.00 51.40 N ATOM 1776 CA LYS A 112 25.182 -24.139 7.484 1.00 14.30 C ATOM 1777 C LYS A 112 26.248 -24.459 8.528 1.00 43.35 C ATOM 1778 O LYS A 112 25.949 -24.596 9.713 1.00 73.00 O ATOM 1779 CB LYS A 112 25.005 -25.329 6.539 1.00 44.24 C ATOM 1780 CG LYS A 112 24.699 -26.634 7.254 1.00 22.02 C ATOM 1781 CD LYS A 112 24.696 -27.810 6.293 1.00 44.25 C ATOM 1782 CE LYS A 112 24.289 -29.099 6.990 1.00 11.14 C ATOM 1783 NZ LYS A 112 25.225 -29.452 8.094 1.00 53.41 N1+ ATOM 0 H LYS A 112 26.361 -23.046 6.138 1.00 51.40 H new ATOM 0 HA LYS A 112 24.240 -23.948 7.999 1.00 14.30 H new ATOM 0 HB2 LYS A 112 24.198 -25.110 5.840 1.00 44.24 H new ATOM 0 HB3 LYS A 112 25.913 -25.452 5.949 1.00 44.24 H new ATOM 0 HG2 LYS A 112 25.440 -26.804 8.036 1.00 22.02 H new ATOM 0 HG3 LYS A 112 23.728 -26.562 7.745 1.00 22.02 H new ATOM 0 HD2 LYS A 112 24.010 -27.607 5.471 1.00 44.25 H new ATOM 0 HD3 LYS A 112 25.688 -27.928 5.858 1.00 44.25 H new ATOM 0 HE2 LYS A 112 23.280 -28.993 7.389 1.00 11.14 H new ATOM 0 HE3 LYS A 112 24.261 -29.911 6.264 1.00 11.14 H new ATOM 0 HZ1 LYS A 112 25.006 -30.407 8.443 1.00 53.41 H new ATOM 0 HZ2 LYS A 112 26.203 -29.428 7.741 1.00 53.41 H new ATOM 0 HZ3 LYS A 112 25.121 -28.767 8.870 1.00 53.41 H new ATOM 1797 N LYS A 113 27.493 -24.575 8.078 1.00 52.52 N ATOM 1798 CA LYS A 113 28.605 -24.875 8.972 1.00 35.31 C ATOM 1799 C LYS A 113 28.891 -23.697 9.899 1.00 64.10 C ATOM 1800 O LYS A 113 29.385 -23.876 11.012 1.00 5.11 O ATOM 1801 CB LYS A 113 29.858 -25.218 8.164 1.00 62.02 C ATOM 1802 CG LYS A 113 30.621 -26.415 8.704 1.00 0.11 C ATOM 1803 CD LYS A 113 32.042 -26.461 8.164 1.00 72.22 C ATOM 1804 CE LYS A 113 32.934 -25.441 8.856 1.00 73.42 C ATOM 1805 NZ LYS A 113 33.954 -24.878 7.928 1.00 12.32 N1+ ATOM 0 H LYS A 113 27.757 -24.466 7.099 1.00 52.52 H new ATOM 0 HA LYS A 113 28.327 -25.735 9.581 1.00 35.31 H new ATOM 0 HB2 LYS A 113 29.571 -25.416 7.131 1.00 62.02 H new ATOM 0 HB3 LYS A 113 30.520 -24.352 8.150 1.00 62.02 H new ATOM 0 HG2 LYS A 113 30.646 -26.371 9.793 1.00 0.11 H new ATOM 0 HG3 LYS A 113 30.098 -27.333 8.434 1.00 0.11 H new ATOM 0 HD2 LYS A 113 32.454 -27.461 8.304 1.00 72.22 H new ATOM 0 HD3 LYS A 113 32.031 -26.268 7.091 1.00 72.22 H new ATOM 0 HE2 LYS A 113 32.321 -24.633 9.255 1.00 73.42 H new ATOM 0 HE3 LYS A 113 33.433 -25.911 9.703 1.00 73.42 H new ATOM 0 HZ1 LYS A 113 34.542 -24.187 8.436 1.00 12.32 H new ATOM 0 HZ2 LYS A 113 34.556 -25.645 7.567 1.00 12.32 H new ATOM 0 HZ3 LYS A 113 33.477 -24.408 7.132 1.00 12.32 H new ATOM 1819 N LYS A 114 28.577 -22.493 9.433 1.00 70.11 N ATOM 1820 CA LYS A 114 28.797 -21.287 10.220 1.00 10.41 C ATOM 1821 C LYS A 114 27.518 -20.863 10.936 1.00 52.32 C ATOM 1822 O LYS A 114 27.321 -19.683 11.228 1.00 70.00 O ATOM 1823 CB LYS A 114 29.292 -20.151 9.322 1.00 15.11 C ATOM 1824 CG LYS A 114 30.726 -20.325 8.856 1.00 4.52 C ATOM 1825 CD LYS A 114 31.298 -19.026 8.311 1.00 60.44 C ATOM 1826 CE LYS A 114 32.450 -18.522 9.165 1.00 1.22 C ATOM 1827 NZ LYS A 114 32.004 -17.497 10.148 1.00 30.04 N1+ ATOM 0 H LYS A 114 28.169 -22.327 8.513 1.00 70.11 H new ATOM 0 HA LYS A 114 29.557 -21.506 10.970 1.00 10.41 H new ATOM 0 HB2 LYS A 114 28.642 -20.079 8.450 1.00 15.11 H new ATOM 0 HB3 LYS A 114 29.206 -19.208 9.862 1.00 15.11 H new ATOM 0 HG2 LYS A 114 31.340 -20.673 9.687 1.00 4.52 H new ATOM 0 HG3 LYS A 114 30.768 -21.094 8.085 1.00 4.52 H new ATOM 0 HD2 LYS A 114 31.642 -19.180 7.288 1.00 60.44 H new ATOM 0 HD3 LYS A 114 30.514 -18.270 8.273 1.00 60.44 H new ATOM 0 HE2 LYS A 114 32.903 -19.360 9.694 1.00 1.22 H new ATOM 0 HE3 LYS A 114 33.220 -18.097 8.522 1.00 1.22 H new ATOM 0 HZ1 LYS A 114 32.818 -17.178 10.711 1.00 30.04 H new ATOM 0 HZ2 LYS A 114 31.594 -16.686 9.642 1.00 30.04 H new ATOM 0 HZ3 LYS A 114 31.287 -17.910 10.779 1.00 30.04 H new ATOM 1841 N ALA A 115 26.653 -21.832 11.217 1.00 43.52 N ATOM 1842 CA ALA A 115 25.396 -21.559 11.902 1.00 45.32 C ATOM 1843 C ALA A 115 25.131 -22.589 12.994 1.00 23.03 C ATOM 1844 O ALA A 115 23.984 -22.950 13.254 1.00 42.41 O ATOM 1845 CB ALA A 115 24.246 -21.537 10.905 1.00 44.21 C ATOM 0 H ALA A 115 26.800 -22.813 10.981 1.00 43.52 H new ATOM 0 HA ALA A 115 25.473 -20.579 12.374 1.00 45.32 H new ATOM 0 HB1 ALA A 115 23.313 -21.332 11.430 1.00 44.21 H new ATOM 0 HB2 ALA A 115 24.423 -20.759 10.163 1.00 44.21 H new ATOM 0 HB3 ALA A 115 24.177 -22.504 10.407 1.00 44.21 H new ATOM 1851 N GLN A 116 26.200 -23.058 13.629 1.00 22.45 N ATOM 1852 CA GLN A 116 26.082 -24.049 14.694 1.00 43.04 C ATOM 1853 C GLN A 116 27.310 -24.025 15.598 1.00 23.11 C ATOM 1854 O GLN A 116 27.819 -25.073 15.995 1.00 31.01 O ATOM 1855 CB GLN A 116 25.898 -25.446 14.101 1.00 75.54 C ATOM 1856 CG GLN A 116 27.075 -25.911 13.259 1.00 54.13 C ATOM 1857 CD GLN A 116 27.307 -27.405 13.355 1.00 22.41 C ATOM 1858 OE1 GLN A 116 26.360 -28.192 13.391 1.00 52.13 O ATOM 1859 NE2 GLN A 116 28.573 -27.807 13.399 1.00 35.42 N ATOM 0 H GLN A 116 27.157 -22.769 13.426 1.00 22.45 H new ATOM 0 HA GLN A 116 25.207 -23.799 15.294 1.00 43.04 H new ATOM 0 HB2 GLN A 116 25.739 -26.157 14.911 1.00 75.54 H new ATOM 0 HB3 GLN A 116 24.997 -25.455 13.487 1.00 75.54 H new ATOM 0 HG2 GLN A 116 26.901 -25.640 12.218 1.00 54.13 H new ATOM 0 HG3 GLN A 116 27.975 -25.386 13.579 1.00 54.13 H new ATOM 0 HE21 GLN A 116 29.327 -27.121 13.367 1.00 35.42 H new ATOM 0 HE22 GLN A 116 28.790 -28.801 13.465 1.00 35.42 H new ATOM 1868 N GLN A 117 27.781 -22.825 15.917 1.00 40.21 N ATOM 1869 CA GLN A 117 28.951 -22.666 16.774 1.00 60.44 C ATOM 1870 C GLN A 117 28.758 -23.395 18.099 1.00 13.03 C ATOM 1871 O GLN A 117 29.718 -23.871 18.702 1.00 20.32 O ATOM 1872 CB GLN A 117 29.225 -21.183 17.028 1.00 31.25 C ATOM 1873 CG GLN A 117 28.157 -20.502 17.868 1.00 30.40 C ATOM 1874 CD GLN A 117 28.008 -19.029 17.542 1.00 41.00 C ATOM 1875 OE1 GLN A 117 26.970 -18.593 17.043 1.00 4.52 O ATOM 1876 NE2 GLN A 117 29.049 -18.253 17.823 1.00 71.15 N ATOM 0 H GLN A 117 27.371 -21.948 15.596 1.00 40.21 H new ATOM 0 HA GLN A 117 29.808 -23.104 16.262 1.00 60.44 H new ATOM 0 HB2 GLN A 117 30.188 -21.080 17.527 1.00 31.25 H new ATOM 0 HB3 GLN A 117 29.306 -20.668 16.071 1.00 31.25 H new ATOM 0 HG2 GLN A 117 27.202 -21.003 17.710 1.00 30.40 H new ATOM 0 HG3 GLN A 117 28.405 -20.613 18.924 1.00 30.40 H new ATOM 0 HE21 GLN A 117 29.889 -18.657 18.236 1.00 71.15 H new ATOM 0 HE22 GLN A 117 29.008 -17.253 17.626 1.00 71.15 H new ATOM 1885 N ALA A 118 27.509 -23.477 18.547 1.00 33.33 N ATOM 1886 CA ALA A 118 27.190 -24.150 19.800 1.00 32.01 C ATOM 1887 C ALA A 118 27.474 -25.645 19.710 1.00 42.22 C ATOM 1888 O ALA A 118 28.188 -26.202 20.543 1.00 21.55 O ATOM 1889 CB ALA A 118 25.734 -23.910 20.172 1.00 74.01 C ATOM 0 H ALA A 118 26.702 -23.086 18.061 1.00 33.33 H new ATOM 0 HA ALA A 118 27.828 -23.732 20.579 1.00 32.01 H new ATOM 0 HB1 ALA A 118 25.510 -24.418 21.110 1.00 74.01 H new ATOM 0 HB2 ALA A 118 25.560 -22.840 20.288 1.00 74.01 H new ATOM 0 HB3 ALA A 118 25.088 -24.299 19.385 1.00 74.01 H new ATOM 1895 N ALA A 119 26.913 -26.289 18.692 1.00 73.35 N ATOM 1896 CA ALA A 119 27.108 -27.720 18.492 1.00 14.11 C ATOM 1897 C ALA A 119 28.591 -28.064 18.402 1.00 33.41 C ATOM 1898 O ALA A 119 29.032 -29.087 18.925 1.00 60.35 O ATOM 1899 CB ALA A 119 26.379 -28.181 17.239 1.00 44.00 C ATOM 0 H ALA A 119 26.320 -25.842 17.993 1.00 73.35 H new ATOM 0 HA ALA A 119 26.693 -28.243 19.353 1.00 14.11 H new ATOM 0 HB1 ALA A 119 26.533 -29.251 17.102 1.00 44.00 H new ATOM 0 HB2 ALA A 119 25.313 -27.978 17.343 1.00 44.00 H new ATOM 0 HB3 ALA A 119 26.768 -27.644 16.374 1.00 44.00 H new ATOM 1905 N ALA A 120 29.353 -27.204 17.737 1.00 50.21 N ATOM 1906 CA ALA A 120 30.787 -27.417 17.579 1.00 24.15 C ATOM 1907 C ALA A 120 31.474 -27.550 18.935 1.00 14.53 C ATOM 1908 O ALA A 120 32.399 -28.345 19.098 1.00 60.13 O ATOM 1909 CB ALA A 120 31.405 -26.279 16.781 1.00 2.24 C ATOM 0 H ALA A 120 29.002 -26.353 17.298 1.00 50.21 H new ATOM 0 HA ALA A 120 30.933 -28.349 17.033 1.00 24.15 H new ATOM 0 HB1 ALA A 120 32.476 -26.451 16.671 1.00 2.24 H new ATOM 0 HB2 ALA A 120 30.942 -26.232 15.795 1.00 2.24 H new ATOM 0 HB3 ALA A 120 31.241 -25.337 17.304 1.00 2.24 H new ATOM 1915 N ASP A 121 31.016 -26.764 19.904 1.00 62.31 N ATOM 1916 CA ASP A 121 31.586 -26.793 21.245 1.00 21.22 C ATOM 1917 C ASP A 121 31.123 -28.032 22.006 1.00 31.41 C ATOM 1918 O ASP A 121 31.870 -28.602 22.803 1.00 53.43 O ATOM 1919 CB ASP A 121 31.197 -25.531 22.017 1.00 72.44 C ATOM 1920 CG ASP A 121 31.808 -24.278 21.421 1.00 74.23 C ATOM 1921 OD1 ASP A 121 32.902 -24.376 20.827 1.00 32.21 O1- ATOM 1922 OD2 ASP A 121 31.192 -23.199 21.550 1.00 41.40 O ATOM 0 H ASP A 121 30.252 -26.099 19.785 1.00 62.31 H new ATOM 0 HA ASP A 121 32.671 -26.831 21.150 1.00 21.22 H new ATOM 0 HB2 ASP A 121 30.111 -25.434 22.026 1.00 72.44 H new ATOM 0 HB3 ASP A 121 31.517 -25.630 23.054 1.00 72.44 H new ATOM 1927 N THR A 122 29.884 -28.445 21.756 1.00 53.33 N ATOM 1928 CA THR A 122 29.320 -29.614 22.418 1.00 70.23 C ATOM 1929 C THR A 122 29.333 -29.448 23.933 1.00 40.53 C ATOM 1930 O THR A 122 29.732 -28.405 24.449 1.00 15.20 O ATOM 1931 CB THR A 122 30.089 -30.896 22.047 1.00 53.03 C ATOM 1932 OG1 THR A 122 30.981 -30.634 20.957 1.00 4.24 O ATOM 1933 CG2 THR A 122 29.129 -32.012 21.665 1.00 62.21 C ATOM 0 H THR A 122 29.252 -27.987 21.099 1.00 53.33 H new ATOM 0 HA THR A 122 28.290 -29.705 22.074 1.00 70.23 H new ATOM 0 HB THR A 122 30.662 -31.214 22.918 1.00 53.03 H new ATOM 0 HG1 THR A 122 31.889 -30.503 21.302 1.00 4.24 H new ATOM 0 HG21 THR A 122 29.695 -32.907 21.407 1.00 62.21 H new ATOM 0 HG22 THR A 122 28.470 -32.229 22.506 1.00 62.21 H new ATOM 0 HG23 THR A 122 28.532 -31.701 20.808 1.00 62.21 H new ATOM 1941 N GLY A 123 28.895 -30.484 24.641 1.00 33.12 N ATOM 1942 CA GLY A 123 28.865 -30.433 26.092 1.00 53.31 C ATOM 1943 C GLY A 123 30.061 -31.120 26.721 1.00 52.22 C ATOM 1944 O GLY A 123 30.938 -30.463 27.281 1.00 44.01 O ATOM 0 H GLY A 123 28.560 -31.358 24.236 1.00 33.12 H new ATOM 0 HA2 GLY A 123 28.836 -29.392 26.415 1.00 53.31 H new ATOM 0 HA3 GLY A 123 27.950 -30.904 26.450 1.00 53.31 H new ATOM 1948 N ASN A 124 30.095 -32.445 26.630 1.00 1.23 N ATOM 1949 CA ASN A 124 31.191 -33.221 27.197 1.00 64.30 C ATOM 1950 C ASN A 124 32.069 -33.808 26.096 1.00 2.04 C ATOM 1951 O ASN A 124 31.777 -33.660 24.910 1.00 11.53 O ATOM 1952 CB ASN A 124 30.644 -34.344 28.081 1.00 23.20 C ATOM 1953 CG ASN A 124 30.459 -33.908 29.522 1.00 42.53 C ATOM 1954 OD1 ASN A 124 29.931 -32.830 29.793 1.00 75.34 O ATOM 1955 ND2 ASN A 124 30.897 -34.746 30.455 1.00 43.41 N ATOM 0 H ASN A 124 29.377 -33.003 26.169 1.00 1.23 H new ATOM 0 HA ASN A 124 31.800 -32.552 27.805 1.00 64.30 H new ATOM 0 HB2 ASN A 124 29.689 -34.684 27.682 1.00 23.20 H new ATOM 0 HB3 ASN A 124 31.325 -35.194 28.046 1.00 23.20 H new ATOM 0 HD21 ASN A 124 30.802 -34.506 31.442 1.00 43.41 H new ATOM 0 HD22 ASN A 124 31.329 -35.630 30.185 1.00 43.41 H new ATOM 1962 N ASN A 125 33.145 -34.478 26.497 1.00 13.44 N ATOM 1963 CA ASN A 125 34.066 -35.087 25.544 1.00 31.05 C ATOM 1964 C ASN A 125 33.325 -36.022 24.594 1.00 22.42 C ATOM 1965 O ASN A 125 32.402 -36.730 24.997 1.00 32.33 O ATOM 1966 CB ASN A 125 35.162 -35.858 26.284 1.00 13.53 C ATOM 1967 CG ASN A 125 34.608 -37.005 27.107 1.00 10.12 C ATOM 1968 OD1 ASN A 125 33.627 -36.845 27.834 1.00 50.11 O ATOM 1969 ND2 ASN A 125 35.235 -38.169 26.995 1.00 3.11 N ATOM 0 H ASN A 125 33.400 -34.613 27.475 1.00 13.44 H new ATOM 0 HA ASN A 125 34.524 -34.290 24.958 1.00 31.05 H new ATOM 0 HB2 ASN A 125 35.880 -36.246 25.562 1.00 13.53 H new ATOM 0 HB3 ASN A 125 35.705 -35.175 26.937 1.00 13.53 H new ATOM 0 HD21 ASN A 125 34.908 -38.978 27.524 1.00 3.11 H new ATOM 0 HD22 ASN A 125 36.044 -38.255 26.380 1.00 3.11 H new ATOM 1976 N SER A 126 33.736 -36.019 23.330 1.00 22.41 N ATOM 1977 CA SER A 126 33.109 -36.866 22.321 1.00 51.33 C ATOM 1978 C SER A 126 34.114 -37.857 21.743 1.00 24.13 C ATOM 1979 O SER A 126 35.294 -37.543 21.593 1.00 25.11 O ATOM 1980 CB SER A 126 32.520 -36.007 21.200 1.00 34.04 C ATOM 1981 OG SER A 126 32.152 -36.803 20.088 1.00 62.35 O ATOM 0 H SER A 126 34.500 -35.440 22.980 1.00 22.41 H new ATOM 0 HA SER A 126 32.307 -37.427 22.800 1.00 51.33 H new ATOM 0 HB2 SER A 126 31.648 -35.468 21.570 1.00 34.04 H new ATOM 0 HB3 SER A 126 33.249 -35.258 20.890 1.00 34.04 H new ATOM 0 HG SER A 126 31.777 -36.231 19.386 1.00 62.35 H new ATOM 1987 N GLN A 127 33.636 -39.055 21.421 1.00 13.22 N ATOM 1988 CA GLN A 127 34.492 -40.094 20.860 1.00 13.33 C ATOM 1989 C GLN A 127 34.697 -39.880 19.364 1.00 24.42 C ATOM 1990 O GLN A 127 33.841 -40.234 18.553 1.00 74.31 O ATOM 1991 CB GLN A 127 33.886 -41.475 21.113 1.00 52.23 C ATOM 1992 CG GLN A 127 34.910 -42.598 21.111 1.00 44.21 C ATOM 1993 CD GLN A 127 34.428 -43.830 21.851 1.00 40.20 C ATOM 1994 OE1 GLN A 127 33.981 -44.801 21.240 1.00 42.52 O ATOM 1995 NE2 GLN A 127 34.514 -43.797 23.176 1.00 11.31 N ATOM 0 H GLN A 127 32.661 -39.330 21.539 1.00 13.22 H new ATOM 0 HA GLN A 127 35.463 -40.036 21.353 1.00 13.33 H new ATOM 0 HB2 GLN A 127 33.371 -41.466 22.073 1.00 52.23 H new ATOM 0 HB3 GLN A 127 33.135 -41.678 20.350 1.00 52.23 H new ATOM 0 HG2 GLN A 127 35.146 -42.867 20.081 1.00 44.21 H new ATOM 0 HG3 GLN A 127 35.834 -42.243 21.568 1.00 44.21 H new ATOM 0 HE21 GLN A 127 34.891 -42.972 23.642 1.00 11.31 H new ATOM 0 HE22 GLN A 127 34.203 -44.597 23.727 1.00 11.31 H new ATOM 2004 N VAL A 128 35.838 -39.300 19.004 1.00 34.21 N ATOM 2005 CA VAL A 128 36.155 -39.041 17.606 1.00 44.51 C ATOM 2006 C VAL A 128 37.445 -39.743 17.196 1.00 44.43 C ATOM 2007 O VAL A 128 38.422 -39.759 17.945 1.00 34.12 O ATOM 2008 CB VAL A 128 36.296 -37.532 17.333 1.00 44.31 C ATOM 2009 CG1 VAL A 128 34.974 -36.819 17.574 1.00 64.04 C ATOM 2010 CG2 VAL A 128 37.398 -36.935 18.196 1.00 44.33 C ATOM 0 H VAL A 128 36.558 -39.001 19.662 1.00 34.21 H new ATOM 0 HA VAL A 128 35.327 -39.434 17.016 1.00 44.51 H new ATOM 0 HB VAL A 128 36.570 -37.394 16.287 1.00 44.31 H new ATOM 0 HG11 VAL A 128 35.094 -35.754 17.376 1.00 64.04 H new ATOM 0 HG12 VAL A 128 34.213 -37.228 16.909 1.00 64.04 H new ATOM 0 HG13 VAL A 128 34.666 -36.963 18.610 1.00 64.04 H new ATOM 0 HG21 VAL A 128 37.484 -35.868 17.990 1.00 44.33 H new ATOM 0 HG22 VAL A 128 37.156 -37.083 19.249 1.00 44.33 H new ATOM 0 HG23 VAL A 128 38.344 -37.426 17.968 1.00 44.33 H new ATOM 2020 N SER A 129 37.443 -40.324 16.000 1.00 32.44 N ATOM 2021 CA SER A 129 38.611 -41.032 15.491 1.00 1.51 C ATOM 2022 C SER A 129 38.956 -40.566 14.079 1.00 11.14 C ATOM 2023 O SER A 129 38.074 -40.195 13.305 1.00 2.23 O ATOM 2024 CB SER A 129 38.362 -42.541 15.496 1.00 4.33 C ATOM 2025 OG SER A 129 39.439 -43.233 16.104 1.00 41.31 O ATOM 0 H SER A 129 36.644 -40.318 15.365 1.00 32.44 H new ATOM 0 HA SER A 129 39.454 -40.809 16.145 1.00 1.51 H new ATOM 0 HB2 SER A 129 37.437 -42.759 16.031 1.00 4.33 H new ATOM 0 HB3 SER A 129 38.229 -42.894 14.473 1.00 4.33 H new ATOM 0 HG SER A 129 39.255 -44.196 16.096 1.00 41.31 H new ATOM 2031 N GLN A 130 40.244 -40.590 13.753 1.00 4.40 N ATOM 2032 CA GLN A 130 40.706 -40.170 12.435 1.00 21.40 C ATOM 2033 C GLN A 130 41.095 -41.375 11.585 1.00 4.13 C ATOM 2034 O GLN A 130 41.153 -42.502 12.077 1.00 11.23 O ATOM 2035 CB GLN A 130 41.896 -39.218 12.568 1.00 20.20 C ATOM 2036 CG GLN A 130 41.754 -37.948 11.746 1.00 73.44 C ATOM 2037 CD GLN A 130 43.076 -37.464 11.185 1.00 31.52 C ATOM 2038 OE1 GLN A 130 43.976 -38.260 10.913 1.00 54.31 O ATOM 2039 NE2 GLN A 130 43.201 -36.153 11.009 1.00 30.54 N ATOM 0 H GLN A 130 40.986 -40.896 14.383 1.00 4.40 H new ATOM 0 HA GLN A 130 39.887 -39.649 11.939 1.00 21.40 H new ATOM 0 HB2 GLN A 130 42.020 -38.950 13.617 1.00 20.20 H new ATOM 0 HB3 GLN A 130 42.803 -39.739 12.262 1.00 20.20 H new ATOM 0 HG2 GLN A 130 41.059 -38.127 10.925 1.00 73.44 H new ATOM 0 HG3 GLN A 130 41.319 -37.165 12.367 1.00 73.44 H new ATOM 0 HE21 GLN A 130 42.429 -35.530 11.248 1.00 30.54 H new ATOM 0 HE22 GLN A 130 44.069 -35.769 10.635 1.00 30.54 H new ATOM 2048 N ASN A 131 41.361 -41.130 10.307 1.00 44.13 N ATOM 2049 CA ASN A 131 41.744 -42.196 9.388 1.00 72.14 C ATOM 2050 C ASN A 131 42.039 -41.637 7.999 1.00 15.21 C ATOM 2051 O ASN A 131 41.995 -40.425 7.784 1.00 64.21 O ATOM 2052 CB ASN A 131 40.635 -43.247 9.302 1.00 42.55 C ATOM 2053 CG ASN A 131 41.183 -44.656 9.182 1.00 32.43 C ATOM 2054 OD1 ASN A 131 42.283 -44.865 8.672 1.00 63.32 O ATOM 2055 ND2 ASN A 131 40.414 -45.631 9.654 1.00 3.21 N ATOM 0 H ASN A 131 41.319 -40.203 9.884 1.00 44.13 H new ATOM 0 HA ASN A 131 42.650 -42.664 9.772 1.00 72.14 H new ATOM 0 HB2 ASN A 131 40.004 -43.179 10.189 1.00 42.55 H new ATOM 0 HB3 ASN A 131 40.000 -43.032 8.442 1.00 42.55 H new ATOM 0 HD21 ASN A 131 40.729 -46.600 9.602 1.00 3.21 H new ATOM 0 HD22 ASN A 131 39.509 -45.411 10.069 1.00 3.21 H new ATOM 2062 N TYR A 132 42.338 -42.528 7.060 1.00 3.53 N ATOM 2063 CA TYR A 132 42.642 -42.124 5.692 1.00 13.31 C ATOM 2064 C TYR A 132 43.900 -41.261 5.646 1.00 33.23 C ATOM 2065 O TYR A 132 44.495 -41.006 6.691 1.00 4.44 O ATOM 2066 CB TYR A 132 41.463 -41.359 5.090 1.00 73.21 C ATOM 2067 CG TYR A 132 41.034 -41.877 3.736 1.00 52.32 C ATOM 2068 CD1 TYR A 132 40.696 -43.211 3.555 1.00 20.43 C ATOM 2069 CD2 TYR A 132 40.964 -41.029 2.637 1.00 4.54 C ATOM 2070 CE1 TYR A 132 40.304 -43.688 2.320 1.00 64.23 C ATOM 2071 CE2 TYR A 132 40.572 -41.496 1.397 1.00 24.43 C ATOM 2072 CZ TYR A 132 40.244 -42.827 1.244 1.00 3.12 C ATOM 2073 OH TYR A 132 39.853 -43.298 0.011 1.00 40.10 O ATOM 0 H TYR A 132 42.376 -43.534 7.221 1.00 3.53 H new ATOM 0 HA TYR A 132 42.819 -43.025 5.105 1.00 13.31 H new ATOM 0 HB2 TYR A 132 40.617 -41.414 5.775 1.00 73.21 H new ATOM 0 HB3 TYR A 132 41.732 -40.307 4.999 1.00 73.21 H new ATOM 0 HD1 TYR A 132 40.740 -43.888 4.395 1.00 20.43 H new ATOM 0 HD2 TYR A 132 41.221 -39.986 2.754 1.00 4.54 H new ATOM 0 HE1 TYR A 132 40.046 -44.729 2.197 1.00 64.23 H new ATOM 0 HE2 TYR A 132 40.523 -40.823 0.553 1.00 24.43 H new ATOM 0 HH TYR A 132 39.863 -42.564 -0.638 1.00 40.10 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 -5.832 -20.390 2.364 1.00 42.40 N HETATM 2085 P 8SP A 300 -4.480 -24.763 4.534 1.00 24.54 P HETATM 2086 OG 8SP A 300 -5.010 -23.899 3.299 1.00 15.04 O HETATM 2087 C1A 8SP A 300 -1.542 -28.616 2.713 1.00 10.34 C HETATM 2088 O1A 8SP A 300 -2.146 -28.563 1.615 1.00 71.00 O HETATM 2089 C1B 8SP A 300 0.692 -23.106 4.202 1.00 1.01 C HETATM 2090 O1B 8SP A 300 0.242 -22.037 4.676 1.00 20.04 O HETATM 2091 CB 8SP A 300 -4.931 -22.458 3.370 1.00 5.14 C HETATM 2092 C1G 8SP A 300 -0.615 -26.319 3.069 1.00 51.05 C HETATM 2093 O1G 8SP A 300 -1.345 -27.489 3.457 1.00 52.04 O HETATM 2094 C2A 8SP A 300 -1.035 -29.887 3.272 1.00 61.32 C HETATM 2095 C2B 8SP A 300 2.135 -23.432 4.244 1.00 1.15 C HETATM 2096 CA 8SP A 300 -6.186 -21.753 2.798 1.00 62.11 C HETATM 2097 C2G 8SP A 300 -0.585 -25.284 4.221 1.00 55.45 C HETATM 2098 O2G 8SP A 300 -0.147 -24.035 3.656 1.00 73.45 O HETATM 2099 O2P 8SP A 300 -4.308 -23.976 5.757 1.00 32.33 O HETATM 2100 C3A 8SP A 300 -1.676 -31.178 2.689 1.00 3.34 C HETATM 2101 C3B 8SP A 300 2.691 -24.168 2.993 1.00 44.54 C HETATM 2102 C 8SP A 300 -7.298 -21.668 3.766 1.00 42.45 C HETATM 2103 O 8SP A 300 -7.973 -22.676 4.068 1.00 0.24 O HETATM 2104 OXT 8SP A 300 -7.582 -20.494 4.383 1.00 23.20 O HETATM 2105 C3G 8SP A 300 -1.944 -25.164 4.965 1.00 54.32 C HETATM 2106 O3G 8SP A 300 -3.082 -25.421 4.104 1.00 71.01 O HETATM 2107 O3P 8SP A 300 -5.499 -25.946 4.795 1.00 55.02 O HETATM 2108 C4A 8SP A 300 -1.676 -32.349 3.710 1.00 41.41 C HETATM 2109 C4B 8SP A 300 4.025 -23.561 2.477 1.00 53.34 C HETATM 2110 C5A 8SP A 300 -0.600 -33.421 3.394 1.00 73.41 C HETATM 2111 C5B 8SP A 300 3.812 -22.259 1.656 1.00 21.33 C HETATM 2112 C6A 8SP A 300 -1.130 -34.869 3.581 1.00 44.35 C HETATM 2113 C6B 8SP A 300 5.024 -21.291 1.734 1.00 53.22 C HETATM 2114 C7A 8SP A 300 -0.037 -35.839 4.109 1.00 64.35 C HETATM 2115 C7B 8SP A 300 4.884 -20.085 0.767 1.00 42.24 C HETATM 2116 C8A 8SP A 300 0.376 -35.536 5.565 1.00 22.33 C HETATM 2117 C8B 8SP A 300 5.053 -20.478 -0.719 1.00 23.01 C HETATM 0 H38B 8SP A 300 6.042 -20.910 -0.871 1.00 23.01 H new HETATM 0 H38A 8SP A 300 0.772 -34.522 5.628 1.00 22.33 H new HETATM 0 H28B 8SP A 300 4.292 -21.209 -0.991 1.00 23.01 H new HETATM 0 H28A 8SP A 300 -0.493 -35.627 6.216 1.00 22.33 H new HETATM 0 H27B 8SP A 300 3.905 -19.626 0.907 1.00 42.24 H new HETATM 0 H27A 8SP A 300 -0.405 -36.863 4.046 1.00 64.35 H new HETATM 0 H26B 8SP A 300 5.127 -20.924 2.755 1.00 53.22 H new HETATM 0 H26A 8SP A 300 -1.969 -34.858 4.277 1.00 44.35 H new HETATM 0 H25B 8SP A 300 3.627 -22.519 0.614 1.00 21.33 H new HETATM 0 H25A 8SP A 300 -0.255 -33.293 2.368 1.00 73.41 H new HETATM 0 H24B 8SP A 300 4.675 -23.349 3.326 1.00 53.34 H new HETATM 0 H24A 8SP A 300 -1.505 -31.953 4.711 1.00 41.41 H new HETATM 0 H23G 8SP A 300 -1.959 -25.866 5.799 1.00 54.32 H new HETATM 0 H23B 8SP A 300 2.846 -25.219 3.235 1.00 44.54 H new HETATM 0 H23A 8SP A 300 -2.700 -30.966 2.383 1.00 3.34 H new HETATM 0 H22B 8SP A 300 2.695 -22.507 4.378 1.00 1.15 H new HETATM 0 H22A 8SP A 300 0.042 -29.931 3.109 1.00 61.32 H new HETATM 0 H21G 8SP A 300 0.403 -26.594 2.794 1.00 51.05 H new HETATM 0 H18B 8SP A 300 4.944 -19.592 -1.344 1.00 23.01 H new HETATM 0 H18A 8SP A 300 1.142 -36.244 5.881 1.00 22.33 H new HETATM 0 H17B 8SP A 300 5.628 -19.332 1.025 1.00 42.24 H new HETATM 0 H17A 8SP A 300 0.841 -35.775 3.466 1.00 64.35 H new HETATM 0 H16B 8SP A 300 5.937 -21.837 1.498 1.00 53.22 H new HETATM 0 H16A 8SP A 300 -1.510 -35.239 2.629 1.00 44.35 H new HETATM 0 H15B 8SP A 300 2.921 -21.748 2.020 1.00 21.33 H new HETATM 0 H15A 8SP A 300 0.263 -33.267 4.042 1.00 73.41 H new HETATM 0 H14B 8SP A 300 4.539 -24.296 1.858 1.00 53.34 H new HETATM 0 H14A 8SP A 300 -2.660 -32.819 3.717 1.00 41.41 H new HETATM 0 H13G 8SP A 300 -2.034 -24.164 5.389 1.00 54.32 H new HETATM 0 H13B 8SP A 300 1.948 -24.131 2.196 1.00 44.54 H new HETATM 0 H13A 8SP A 300 -1.132 -31.479 1.794 1.00 3.34 H new HETATM 0 H12B 8SP A 300 2.325 -24.050 5.122 1.00 1.15 H new HETATM 0 H12A 8SP A 300 -1.194 -29.878 4.350 1.00 61.32 H new HETATM 0 H11G 8SP A 300 -1.074 -25.874 2.186 1.00 51.05 H new HETATM 0 HXT 8SP A 300 -8.456 -20.558 4.822 1.00 23.20 H new HETATM 0 HB3 8SP A 300 -4.051 -22.121 2.823 1.00 5.14 H new HETATM 0 HB2 8SP A 300 -4.795 -22.158 4.409 1.00 5.14 H new HETATM 0 HA 8SP A 300 -6.528 -22.359 1.959 1.00 62.11 H new HETATM 0 H2G 8SP A 300 0.109 -25.610 4.995 1.00 55.45 H new HETATM 0 H2 8SP A 300 -6.545 -19.782 1.960 1.00 42.40 H new HETATM 0 H 8SP A 300 -4.874 -20.054 2.467 1.00 42.40 H new