USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 ASN : amide:sc= 1.41 K(o=2.6,f=-1.4!) USER MOD Set 1.2: A 90 THR OG1 : rot -77:sc= 1.21 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -111:sc= 0.612 (180deg=0) USER MOD Set 2.2: A 97 THR OG1 : rot -22:sc= 1.64 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0299 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -178:sc= -0.553 (180deg=-0.618) USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= 0.198 (180deg=0) USER MOD Single : A 17 SER OG : rot -26:sc= 0.115 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 11:sc= 0.253 USER MOD Single : A 41 CYS SG : rot -59:sc= -1.77 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -3.76! C(o=-4.7!,f=-3.8!) USER MOD Single : A 44 TYR OH : rot -163:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.831 K(o=0.83,f=-0.49) USER MOD Single : A 62 THR OG1 : rot -26:sc= 0.465 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 179:sc= 1.3 USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.0116 (180deg=-0.707) USER MOD Single : A 79 ASN : amide:sc=-0.000116 K(o=-0.00012,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 91 ASN : amide:sc=-0.00846 X(o=-0.0085,f=-0.23) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.122 USER MOD Single : A 99 CYS SG : rot -118:sc= 0.721 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.00408 K(o=0.0041,f=-2.1) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc=-0.00578 X(o=-0.0058,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.962 33.392 -14.226 1.00 63.31 N ATOM 2 CA GLY A 1 -13.247 34.788 -13.871 1.00 30.22 C ATOM 3 C GLY A 1 -12.813 35.024 -12.440 1.00 4.01 C ATOM 4 O GLY A 1 -11.722 34.595 -12.072 1.00 45.23 O ATOM 0 H1 GLY A 1 -12.567 33.352 -15.187 1.00 63.31 H new ATOM 0 H2 GLY A 1 -12.276 32.996 -13.553 1.00 63.31 H new ATOM 0 H3 GLY A 1 -13.842 32.838 -14.190 1.00 63.31 H new ATOM 0 HA2 GLY A 1 -12.718 35.464 -14.543 1.00 30.22 H new ATOM 0 HA3 GLY A 1 -14.311 34.996 -13.982 1.00 30.22 H new ATOM 8 N CYS A 2 -13.645 35.688 -11.645 1.00 51.12 N ATOM 9 CA CYS A 2 -13.577 35.702 -10.202 1.00 2.41 C ATOM 10 C CYS A 2 -15.034 35.703 -9.743 1.00 30.42 C ATOM 11 O CYS A 2 -15.742 36.681 -9.974 1.00 74.10 O ATOM 12 CB CYS A 2 -12.800 36.932 -9.717 1.00 74.41 C ATOM 13 SG CYS A 2 -12.468 36.779 -7.941 1.00 52.11 S ATOM 0 H CYS A 2 -14.413 36.251 -12.010 1.00 51.12 H new ATOM 0 HA CYS A 2 -13.043 34.846 -9.789 1.00 2.41 H new ATOM 0 HB2 CYS A 2 -11.863 37.023 -10.266 1.00 74.41 H new ATOM 0 HB3 CYS A 2 -13.373 37.838 -9.913 1.00 74.41 H new ATOM 0 HG CYS A 2 -11.807 37.821 -7.532 1.00 52.11 H new ATOM 19 N GLU A 3 -15.487 34.603 -9.151 1.00 62.50 N ATOM 20 CA GLU A 3 -16.877 34.334 -8.817 1.00 23.14 C ATOM 21 C GLU A 3 -16.934 33.719 -7.415 1.00 74.23 C ATOM 22 O GLU A 3 -15.902 33.338 -6.860 1.00 33.32 O ATOM 23 CB GLU A 3 -17.467 33.365 -9.860 1.00 50.34 C ATOM 24 CG GLU A 3 -17.748 34.007 -11.235 1.00 12.25 C ATOM 25 CD GLU A 3 -16.812 33.538 -12.369 1.00 11.15 C ATOM 26 OE1 GLU A 3 -15.620 33.924 -12.413 1.00 24.13 O ATOM 27 OE2 GLU A 3 -17.297 32.807 -13.257 1.00 50.02 O ATOM 0 H GLU A 3 -14.865 33.841 -8.880 1.00 62.50 H new ATOM 0 HA GLU A 3 -17.460 35.255 -8.827 1.00 23.14 H new ATOM 0 HB2 GLU A 3 -16.778 32.531 -9.995 1.00 50.34 H new ATOM 0 HB3 GLU A 3 -18.396 32.950 -9.469 1.00 50.34 H new ATOM 0 HG2 GLU A 3 -18.778 33.789 -11.519 1.00 12.25 H new ATOM 0 HG3 GLU A 3 -17.666 35.090 -11.139 1.00 12.25 H new ATOM 34 N LEU A 4 -18.136 33.612 -6.837 1.00 74.23 N ATOM 35 CA LEU A 4 -18.348 32.924 -5.569 1.00 34.15 C ATOM 36 C LEU A 4 -18.134 31.431 -5.828 1.00 70.43 C ATOM 37 O LEU A 4 -18.923 30.809 -6.538 1.00 61.44 O ATOM 38 CB LEU A 4 -19.746 33.254 -5.006 1.00 73.12 C ATOM 39 CG LEU A 4 -19.854 33.085 -3.476 1.00 33.44 C ATOM 40 CD1 LEU A 4 -21.206 33.637 -3.002 1.00 31.44 C ATOM 41 CD2 LEU A 4 -19.718 31.637 -2.992 1.00 21.44 C ATOM 0 H LEU A 4 -18.988 34.003 -7.240 1.00 74.23 H new ATOM 0 HA LEU A 4 -17.644 33.253 -4.805 1.00 34.15 H new ATOM 0 HB2 LEU A 4 -20.000 34.281 -5.268 1.00 73.12 H new ATOM 0 HB3 LEU A 4 -20.483 32.610 -5.487 1.00 73.12 H new ATOM 0 HG LEU A 4 -19.016 33.637 -3.050 1.00 33.44 H new ATOM 0 HD11 LEU A 4 -21.288 33.520 -1.921 1.00 31.44 H new ATOM 0 HD12 LEU A 4 -21.278 34.694 -3.259 1.00 31.44 H new ATOM 0 HD13 LEU A 4 -22.013 33.089 -3.488 1.00 31.44 H new ATOM 0 HD21 LEU A 4 -19.806 31.607 -1.906 1.00 21.44 H new ATOM 0 HD22 LEU A 4 -20.506 31.029 -3.437 1.00 21.44 H new ATOM 0 HD23 LEU A 4 -18.746 31.244 -3.289 1.00 21.44 H new ATOM 53 N SER A 5 -17.026 30.893 -5.329 1.00 63.13 N ATOM 54 CA SER A 5 -16.551 29.538 -5.545 1.00 21.35 C ATOM 55 C SER A 5 -15.873 29.084 -4.245 1.00 34.32 C ATOM 56 O SER A 5 -15.774 29.860 -3.291 1.00 34.45 O ATOM 57 CB SER A 5 -15.603 29.566 -6.761 1.00 34.13 C ATOM 58 OG SER A 5 -15.208 28.280 -7.212 1.00 32.51 O ATOM 0 H SER A 5 -16.400 31.427 -4.727 1.00 63.13 H new ATOM 0 HA SER A 5 -17.344 28.825 -5.770 1.00 21.35 H new ATOM 0 HB2 SER A 5 -16.094 30.092 -7.580 1.00 34.13 H new ATOM 0 HB3 SER A 5 -14.713 30.139 -6.502 1.00 34.13 H new ATOM 0 HG SER A 5 -14.611 28.373 -7.984 1.00 32.51 H new ATOM 64 N ASP A 6 -15.370 27.851 -4.222 1.00 50.34 N ATOM 65 CA ASP A 6 -14.659 27.230 -3.109 1.00 73.24 C ATOM 66 C ASP A 6 -13.236 26.823 -3.537 1.00 50.14 C ATOM 67 O ASP A 6 -12.859 25.650 -3.478 1.00 23.43 O ATOM 68 CB ASP A 6 -15.490 26.085 -2.509 1.00 13.33 C ATOM 69 CG ASP A 6 -16.129 25.098 -3.501 1.00 24.45 C ATOM 70 OD1 ASP A 6 -15.551 24.793 -4.575 1.00 45.41 O ATOM 71 OD2 ASP A 6 -17.264 24.669 -3.202 1.00 13.03 O ATOM 0 H ASP A 6 -15.453 27.226 -5.024 1.00 50.34 H new ATOM 0 HA ASP A 6 -14.530 27.953 -2.304 1.00 73.24 H new ATOM 0 HB2 ASP A 6 -14.850 25.519 -1.832 1.00 13.33 H new ATOM 0 HB3 ASP A 6 -16.285 26.522 -1.905 1.00 13.33 H new ATOM 76 N PRO A 7 -12.403 27.793 -3.961 1.00 22.25 N ATOM 77 CA PRO A 7 -11.100 27.532 -4.542 1.00 42.20 C ATOM 78 C PRO A 7 -10.165 26.883 -3.529 1.00 23.24 C ATOM 79 O PRO A 7 -9.452 25.962 -3.901 1.00 25.22 O ATOM 80 CB PRO A 7 -10.577 28.882 -5.039 1.00 54.41 C ATOM 81 CG PRO A 7 -11.264 29.890 -4.120 1.00 74.44 C ATOM 82 CD PRO A 7 -12.600 29.219 -3.813 1.00 33.21 C ATOM 0 HA PRO A 7 -11.163 26.823 -5.368 1.00 42.20 H new ATOM 0 HB2 PRO A 7 -9.491 28.945 -4.963 1.00 54.41 H new ATOM 0 HB3 PRO A 7 -10.834 29.052 -6.085 1.00 54.41 H new ATOM 0 HG2 PRO A 7 -10.685 30.070 -3.214 1.00 74.44 H new ATOM 0 HG3 PRO A 7 -11.400 30.855 -4.609 1.00 74.44 H new ATOM 0 HD2 PRO A 7 -12.929 29.460 -2.802 1.00 33.21 H new ATOM 0 HD3 PRO A 7 -13.375 29.574 -4.493 1.00 33.21 H new ATOM 90 N ASP A 8 -10.187 27.316 -2.268 1.00 1.23 N ATOM 91 CA ASP A 8 -9.386 26.770 -1.176 1.00 14.13 C ATOM 92 C ASP A 8 -10.174 25.646 -0.485 1.00 34.12 C ATOM 93 O ASP A 8 -10.312 25.641 0.745 1.00 52.33 O ATOM 94 CB ASP A 8 -9.017 27.882 -0.172 1.00 65.24 C ATOM 95 CG ASP A 8 -8.333 29.087 -0.811 1.00 30.10 C ATOM 96 OD1 ASP A 8 -9.081 29.999 -1.221 1.00 2.33 O ATOM 97 OD2 ASP A 8 -7.083 29.097 -0.888 1.00 50.11 O ATOM 0 H ASP A 8 -10.786 28.086 -1.970 1.00 1.23 H new ATOM 0 HA ASP A 8 -8.458 26.360 -1.574 1.00 14.13 H new ATOM 0 HB2 ASP A 8 -9.922 28.216 0.334 1.00 65.24 H new ATOM 0 HB3 ASP A 8 -8.360 27.466 0.592 1.00 65.24 H new ATOM 102 N GLY A 9 -10.788 24.735 -1.245 1.00 62.54 N ATOM 103 CA GLY A 9 -11.710 23.722 -0.725 1.00 52.13 C ATOM 104 C GLY A 9 -11.332 22.279 -1.060 1.00 53.23 C ATOM 105 O GLY A 9 -12.018 21.359 -0.609 1.00 50.34 O ATOM 0 H GLY A 9 -10.656 24.680 -2.255 1.00 62.54 H new ATOM 0 HA2 GLY A 9 -11.768 23.825 0.359 1.00 52.13 H new ATOM 0 HA3 GLY A 9 -12.707 23.922 -1.118 1.00 52.13 H new ATOM 109 N LEU A 10 -10.280 22.063 -1.847 1.00 44.12 N ATOM 110 CA LEU A 10 -9.911 20.789 -2.448 1.00 14.35 C ATOM 111 C LEU A 10 -9.315 19.831 -1.407 1.00 13.30 C ATOM 112 O LEU A 10 -9.288 20.120 -0.210 1.00 45.11 O ATOM 113 CB LEU A 10 -8.990 20.996 -3.666 1.00 13.12 C ATOM 114 CG LEU A 10 -7.785 21.908 -3.383 1.00 43.45 C ATOM 115 CD1 LEU A 10 -6.544 21.449 -4.152 1.00 21.20 C ATOM 116 CD2 LEU A 10 -8.175 23.335 -3.781 1.00 12.41 C ATOM 0 H LEU A 10 -9.631 22.811 -2.093 1.00 44.12 H new ATOM 0 HA LEU A 10 -10.818 20.312 -2.820 1.00 14.35 H new ATOM 0 HB2 LEU A 10 -8.628 20.026 -4.005 1.00 13.12 H new ATOM 0 HB3 LEU A 10 -9.573 21.422 -4.483 1.00 13.12 H new ATOM 0 HG LEU A 10 -7.530 21.865 -2.324 1.00 43.45 H new ATOM 0 HD11 LEU A 10 -5.711 22.115 -3.929 1.00 21.20 H new ATOM 0 HD12 LEU A 10 -6.286 20.433 -3.853 1.00 21.20 H new ATOM 0 HD13 LEU A 10 -6.750 21.471 -5.222 1.00 21.20 H new ATOM 0 HD21 LEU A 10 -7.338 24.007 -3.591 1.00 12.41 H new ATOM 0 HD22 LEU A 10 -8.428 23.361 -4.841 1.00 12.41 H new ATOM 0 HD23 LEU A 10 -9.037 23.654 -3.194 1.00 12.41 H new ATOM 128 N ALA A 11 -8.832 18.673 -1.853 1.00 12.10 N ATOM 129 CA ALA A 11 -8.149 17.666 -1.057 1.00 41.41 C ATOM 130 C ALA A 11 -6.865 17.287 -1.795 1.00 11.01 C ATOM 131 O ALA A 11 -6.917 17.027 -3.001 1.00 62.13 O ATOM 132 CB ALA A 11 -9.074 16.465 -0.898 1.00 61.51 C ATOM 0 H ALA A 11 -8.913 18.401 -2.833 1.00 12.10 H new ATOM 0 HA ALA A 11 -7.895 18.034 -0.063 1.00 41.41 H new ATOM 0 HB1 ALA A 11 -8.577 15.699 -0.303 1.00 61.51 H new ATOM 0 HB2 ALA A 11 -9.991 16.776 -0.397 1.00 61.51 H new ATOM 0 HB3 ALA A 11 -9.317 16.060 -1.880 1.00 61.51 H new ATOM 138 N ASP A 12 -5.736 17.267 -1.093 1.00 70.53 N ATOM 139 CA ASP A 12 -4.396 17.027 -1.644 1.00 4.30 C ATOM 140 C ASP A 12 -3.836 15.661 -1.205 1.00 52.11 C ATOM 141 O ASP A 12 -4.262 15.147 -0.165 1.00 33.23 O ATOM 142 CB ASP A 12 -3.464 18.182 -1.224 1.00 63.21 C ATOM 143 CG ASP A 12 -2.726 18.873 -2.372 1.00 10.30 C ATOM 144 OD1 ASP A 12 -3.199 18.880 -3.536 1.00 21.34 O ATOM 145 OD2 ASP A 12 -1.620 19.380 -2.083 1.00 43.11 O ATOM 0 H ASP A 12 -5.723 17.423 -0.085 1.00 70.53 H new ATOM 0 HA ASP A 12 -4.461 16.997 -2.732 1.00 4.30 H new ATOM 0 HB2 ASP A 12 -4.054 18.928 -0.691 1.00 63.21 H new ATOM 0 HB3 ASP A 12 -2.727 17.795 -0.520 1.00 63.21 H new ATOM 150 N PRO A 13 -2.889 15.070 -1.960 1.00 53.05 N ATOM 151 CA PRO A 13 -2.495 13.667 -1.834 1.00 64.33 C ATOM 152 C PRO A 13 -1.616 13.410 -0.607 1.00 1.24 C ATOM 153 O PRO A 13 -1.105 14.354 0.010 1.00 51.13 O ATOM 154 CB PRO A 13 -1.758 13.350 -3.140 1.00 44.42 C ATOM 155 CG PRO A 13 -1.114 14.677 -3.511 1.00 3.14 C ATOM 156 CD PRO A 13 -2.190 15.670 -3.088 1.00 64.52 C ATOM 0 HA PRO A 13 -3.361 13.023 -1.683 1.00 64.33 H new ATOM 0 HB2 PRO A 13 -1.013 12.567 -3.001 1.00 44.42 H new ATOM 0 HB3 PRO A 13 -2.443 13.005 -3.915 1.00 44.42 H new ATOM 0 HG2 PRO A 13 -0.176 14.839 -2.981 1.00 3.14 H new ATOM 0 HG3 PRO A 13 -0.893 14.741 -4.576 1.00 3.14 H new ATOM 0 HD2 PRO A 13 -1.747 16.625 -2.806 1.00 64.52 H new ATOM 0 HD3 PRO A 13 -2.878 15.869 -3.909 1.00 64.52 H new ATOM 164 N MET A 14 -1.420 12.134 -0.249 1.00 1.00 N ATOM 165 CA MET A 14 -0.880 11.739 1.053 1.00 24.52 C ATOM 166 C MET A 14 0.653 11.693 1.102 1.00 14.44 C ATOM 167 O MET A 14 1.256 10.740 1.577 1.00 30.42 O ATOM 168 CB MET A 14 -1.532 10.458 1.613 1.00 1.00 C ATOM 169 CG MET A 14 -3.059 10.450 1.480 1.00 42.23 C ATOM 170 SD MET A 14 -4.052 9.386 2.581 1.00 22.23 S ATOM 171 CE MET A 14 -2.874 8.746 3.810 1.00 5.03 C ATOM 0 H MET A 14 -1.633 11.345 -0.859 1.00 1.00 H new ATOM 0 HA MET A 14 -1.164 12.546 1.729 1.00 24.52 H new ATOM 0 HB2 MET A 14 -1.124 9.592 1.091 1.00 1.00 H new ATOM 0 HB3 MET A 14 -1.265 10.352 2.664 1.00 1.00 H new ATOM 0 HG2 MET A 14 -3.404 11.475 1.618 1.00 42.23 H new ATOM 0 HG3 MET A 14 -3.296 10.169 0.454 1.00 42.23 H new ATOM 0 HE1 MET A 14 -3.390 8.067 4.489 1.00 5.03 H new ATOM 0 HE2 MET A 14 -2.072 8.211 3.301 1.00 5.03 H new ATOM 0 HE3 MET A 14 -2.453 9.576 4.377 1.00 5.03 H new ATOM 181 N LYS A 15 1.295 12.806 0.763 1.00 1.03 N ATOM 182 CA LYS A 15 2.719 12.973 0.473 1.00 12.22 C ATOM 183 C LYS A 15 3.651 12.354 1.513 1.00 42.12 C ATOM 184 O LYS A 15 3.768 12.802 2.665 1.00 14.44 O ATOM 185 CB LYS A 15 3.020 14.454 0.275 1.00 74.42 C ATOM 186 CG LYS A 15 2.393 14.984 -1.017 1.00 14.04 C ATOM 187 CD LYS A 15 2.421 16.508 -1.067 1.00 4.04 C ATOM 188 CE LYS A 15 1.237 17.094 -0.291 1.00 63.54 C ATOM 189 NZ LYS A 15 1.068 18.522 -0.617 1.00 31.43 N ATOM 0 H LYS A 15 0.793 13.689 0.676 1.00 1.03 H new ATOM 0 HA LYS A 15 2.922 12.420 -0.444 1.00 12.22 H new ATOM 0 HB2 LYS A 15 2.640 15.021 1.125 1.00 74.42 H new ATOM 0 HB3 LYS A 15 4.099 14.607 0.247 1.00 74.42 H new ATOM 0 HG2 LYS A 15 2.930 14.581 -1.875 1.00 14.04 H new ATOM 0 HG3 LYS A 15 1.363 14.635 -1.093 1.00 14.04 H new ATOM 0 HD2 LYS A 15 3.357 16.874 -0.645 1.00 4.04 H new ATOM 0 HD3 LYS A 15 2.386 16.844 -2.103 1.00 4.04 H new ATOM 0 HE2 LYS A 15 0.326 16.548 -0.537 1.00 63.54 H new ATOM 0 HE3 LYS A 15 1.401 16.975 0.780 1.00 63.54 H new ATOM 0 HZ1 LYS A 15 1.098 19.084 0.258 1.00 31.43 H new ATOM 0 HZ2 LYS A 15 1.834 18.826 -1.251 1.00 31.43 H new ATOM 0 HZ3 LYS A 15 0.152 18.664 -1.088 1.00 31.43 H new ATOM 203 N TRP A 16 4.343 11.320 1.082 1.00 24.42 N ATOM 204 CA TRP A 16 5.175 10.461 1.898 1.00 64.12 C ATOM 205 C TRP A 16 6.618 10.983 1.844 1.00 73.51 C ATOM 206 O TRP A 16 7.207 11.062 0.768 1.00 11.30 O ATOM 207 CB TRP A 16 5.078 9.029 1.339 1.00 44.43 C ATOM 208 CG TRP A 16 3.699 8.434 1.221 1.00 71.53 C ATOM 209 CD1 TRP A 16 2.884 8.506 0.142 1.00 44.15 C ATOM 210 CD2 TRP A 16 2.949 7.675 2.212 1.00 3.44 C ATOM 211 NE1 TRP A 16 1.683 7.874 0.403 1.00 5.11 N ATOM 212 CE2 TRP A 16 1.667 7.352 1.680 1.00 72.35 C ATOM 213 CE3 TRP A 16 3.243 7.213 3.509 1.00 64.54 C ATOM 214 CZ2 TRP A 16 0.716 6.637 2.422 1.00 61.53 C ATOM 215 CZ3 TRP A 16 2.303 6.485 4.259 1.00 11.43 C ATOM 216 CH2 TRP A 16 1.031 6.223 3.728 1.00 72.52 C ATOM 0 H TRP A 16 4.340 11.042 0.101 1.00 24.42 H new ATOM 0 HA TRP A 16 4.848 10.457 2.938 1.00 64.12 H new ATOM 0 HB2 TRP A 16 5.537 9.019 0.350 1.00 44.43 H new ATOM 0 HB3 TRP A 16 5.676 8.376 1.975 1.00 44.43 H new ATOM 0 HD1 TRP A 16 3.137 8.989 -0.790 1.00 44.15 H new ATOM 0 HE1 TRP A 16 0.911 7.803 -0.260 1.00 5.11 H new ATOM 0 HE3 TRP A 16 4.212 7.423 3.937 1.00 64.54 H new ATOM 0 HZ2 TRP A 16 -0.249 6.407 1.995 1.00 61.53 H new ATOM 0 HZ3 TRP A 16 2.560 6.127 5.245 1.00 11.43 H new ATOM 0 HH2 TRP A 16 0.294 5.703 4.322 1.00 72.52 H new ATOM 227 N SER A 17 7.216 11.325 2.992 1.00 73.25 N ATOM 228 CA SER A 17 8.640 11.693 3.051 1.00 72.32 C ATOM 229 C SER A 17 9.549 10.456 3.059 1.00 71.22 C ATOM 230 O SER A 17 10.763 10.592 2.918 1.00 64.34 O ATOM 231 CB SER A 17 8.896 12.564 4.286 1.00 73.23 C ATOM 232 OG SER A 17 10.214 13.064 4.389 1.00 73.54 O ATOM 0 H SER A 17 6.738 11.355 3.893 1.00 73.25 H new ATOM 0 HA SER A 17 8.883 12.261 2.153 1.00 72.32 H new ATOM 0 HB2 SER A 17 8.202 13.405 4.272 1.00 73.23 H new ATOM 0 HB3 SER A 17 8.672 11.981 5.179 1.00 73.23 H new ATOM 0 HG SER A 17 10.829 12.467 3.914 1.00 73.54 H new ATOM 238 N LYS A 18 9.000 9.249 3.221 1.00 65.14 N ATOM 239 CA LYS A 18 9.745 8.006 3.087 1.00 22.20 C ATOM 240 C LYS A 18 8.887 7.097 2.236 1.00 13.44 C ATOM 241 O LYS A 18 7.718 6.918 2.569 1.00 10.00 O ATOM 242 CB LYS A 18 10.039 7.384 4.466 1.00 1.02 C ATOM 243 CG LYS A 18 11.462 6.828 4.512 1.00 64.35 C ATOM 244 CD LYS A 18 12.469 7.977 4.662 1.00 12.01 C ATOM 245 CE LYS A 18 13.715 7.708 3.826 1.00 54.44 C ATOM 246 NZ LYS A 18 14.654 8.841 3.885 1.00 2.42 N ATOM 0 H LYS A 18 8.016 9.112 3.451 1.00 65.14 H new ATOM 0 HA LYS A 18 10.717 8.171 2.623 1.00 22.20 H new ATOM 0 HB2 LYS A 18 9.911 8.136 5.245 1.00 1.02 H new ATOM 0 HB3 LYS A 18 9.324 6.587 4.672 1.00 1.02 H new ATOM 0 HG2 LYS A 18 11.563 6.133 5.346 1.00 64.35 H new ATOM 0 HG3 LYS A 18 11.672 6.266 3.602 1.00 64.35 H new ATOM 0 HD2 LYS A 18 12.009 8.914 4.349 1.00 12.01 H new ATOM 0 HD3 LYS A 18 12.745 8.092 5.710 1.00 12.01 H new ATOM 0 HE2 LYS A 18 14.208 6.805 4.185 1.00 54.44 H new ATOM 0 HE3 LYS A 18 13.428 7.524 2.791 1.00 54.44 H new ATOM 0 HZ1 LYS A 18 15.492 8.628 3.306 1.00 2.42 H new ATOM 0 HZ2 LYS A 18 14.189 9.697 3.520 1.00 2.42 H new ATOM 0 HZ3 LYS A 18 14.945 9.000 4.871 1.00 2.42 H new ATOM 260 N VAL A 19 9.463 6.565 1.173 1.00 31.50 N ATOM 261 CA VAL A 19 8.942 5.558 0.258 1.00 11.40 C ATOM 262 C VAL A 19 10.180 4.757 -0.189 1.00 25.44 C ATOM 263 O VAL A 19 11.311 5.197 0.046 1.00 41.13 O ATOM 264 CB VAL A 19 8.203 6.220 -0.936 1.00 72.44 C ATOM 265 CG1 VAL A 19 6.721 6.487 -0.658 1.00 50.11 C ATOM 266 CG2 VAL A 19 8.860 7.533 -1.399 1.00 23.52 C ATOM 0 H VAL A 19 10.402 6.855 0.899 1.00 31.50 H new ATOM 0 HA VAL A 19 8.200 4.911 0.725 1.00 11.40 H new ATOM 0 HB VAL A 19 8.283 5.482 -1.734 1.00 72.44 H new ATOM 0 HG11 VAL A 19 6.264 6.950 -1.533 1.00 50.11 H new ATOM 0 HG12 VAL A 19 6.216 5.546 -0.441 1.00 50.11 H new ATOM 0 HG13 VAL A 19 6.626 7.155 0.198 1.00 50.11 H new ATOM 0 HG21 VAL A 19 8.297 7.946 -2.236 1.00 23.52 H new ATOM 0 HG22 VAL A 19 8.864 8.248 -0.576 1.00 23.52 H new ATOM 0 HG23 VAL A 19 9.885 7.336 -1.713 1.00 23.52 H new ATOM 276 N PRO A 20 10.012 3.540 -0.715 1.00 33.12 N ATOM 277 CA PRO A 20 11.106 2.661 -1.115 1.00 14.34 C ATOM 278 C PRO A 20 11.618 2.959 -2.522 1.00 63.55 C ATOM 279 O PRO A 20 10.896 3.500 -3.362 1.00 65.13 O ATOM 280 CB PRO A 20 10.495 1.261 -1.090 1.00 13.20 C ATOM 281 CG PRO A 20 9.020 1.508 -1.374 1.00 50.21 C ATOM 282 CD PRO A 20 8.752 2.836 -0.710 1.00 33.14 C ATOM 0 HA PRO A 20 11.962 2.786 -0.452 1.00 14.34 H new ATOM 0 HB2 PRO A 20 10.945 0.614 -1.843 1.00 13.20 H new ATOM 0 HB3 PRO A 20 10.642 0.777 -0.124 1.00 13.20 H new ATOM 0 HG2 PRO A 20 8.818 1.546 -2.444 1.00 50.21 H new ATOM 0 HG3 PRO A 20 8.394 0.718 -0.960 1.00 50.21 H new ATOM 0 HD2 PRO A 20 7.989 3.396 -1.250 1.00 33.14 H new ATOM 0 HD3 PRO A 20 8.385 2.698 0.307 1.00 33.14 H new ATOM 290 N SER A 21 12.802 2.434 -2.839 1.00 65.42 N ATOM 291 CA SER A 21 13.329 2.377 -4.198 1.00 61.33 C ATOM 292 C SER A 21 12.447 1.535 -5.130 1.00 42.44 C ATOM 293 O SER A 21 12.506 1.703 -6.347 1.00 11.40 O ATOM 294 CB SER A 21 14.734 1.770 -4.153 1.00 42.25 C ATOM 295 OG SER A 21 15.573 2.495 -3.275 1.00 72.14 O ATOM 0 H SER A 21 13.431 2.030 -2.145 1.00 65.42 H new ATOM 0 HA SER A 21 13.350 3.392 -4.594 1.00 61.33 H new ATOM 0 HB2 SER A 21 14.675 0.731 -3.829 1.00 42.25 H new ATOM 0 HB3 SER A 21 15.165 1.768 -5.154 1.00 42.25 H new ATOM 0 HG SER A 21 16.464 2.087 -3.262 1.00 72.14 H new ATOM 301 N GLY A 22 11.650 0.601 -4.601 1.00 3.43 N ATOM 302 CA GLY A 22 10.825 -0.296 -5.405 1.00 53.15 C ATOM 303 C GLY A 22 9.639 0.396 -6.081 1.00 23.20 C ATOM 304 O GLY A 22 8.997 -0.193 -6.955 1.00 71.52 O ATOM 0 H GLY A 22 11.561 0.448 -3.596 1.00 3.43 H new ATOM 0 HA2 GLY A 22 11.448 -0.759 -6.170 1.00 53.15 H new ATOM 0 HA3 GLY A 22 10.451 -1.099 -4.769 1.00 53.15 H new ATOM 308 N LEU A 23 9.306 1.620 -5.661 1.00 34.54 N ATOM 309 CA LEU A 23 8.183 2.376 -6.188 1.00 41.01 C ATOM 310 C LEU A 23 8.497 2.959 -7.570 1.00 72.44 C ATOM 311 O LEU A 23 9.516 3.624 -7.786 1.00 64.53 O ATOM 312 CB LEU A 23 7.796 3.457 -5.172 1.00 10.20 C ATOM 313 CG LEU A 23 6.489 4.192 -5.528 1.00 23.20 C ATOM 314 CD1 LEU A 23 5.769 4.616 -4.250 1.00 62.52 C ATOM 315 CD2 LEU A 23 6.722 5.451 -6.367 1.00 3.03 C ATOM 0 H LEU A 23 9.822 2.115 -4.933 1.00 34.54 H new ATOM 0 HA LEU A 23 7.331 1.712 -6.333 1.00 41.01 H new ATOM 0 HB2 LEU A 23 7.690 2.999 -4.188 1.00 10.20 H new ATOM 0 HB3 LEU A 23 8.605 4.184 -5.100 1.00 10.20 H new ATOM 0 HG LEU A 23 5.894 3.491 -6.113 1.00 23.20 H new ATOM 0 HD11 LEU A 23 4.846 5.135 -4.508 1.00 62.52 H new ATOM 0 HD12 LEU A 23 5.535 3.734 -3.654 1.00 62.52 H new ATOM 0 HD13 LEU A 23 6.411 5.282 -3.674 1.00 62.52 H new ATOM 0 HD21 LEU A 23 5.765 5.925 -6.586 1.00 3.03 H new ATOM 0 HD22 LEU A 23 7.353 6.146 -5.813 1.00 3.03 H new ATOM 0 HD23 LEU A 23 7.215 5.180 -7.301 1.00 3.03 H new ATOM 327 N LYS A 24 7.556 2.766 -8.490 1.00 12.34 N ATOM 328 CA LYS A 24 7.483 3.332 -9.831 1.00 23.40 C ATOM 329 C LYS A 24 6.045 3.805 -9.995 1.00 44.44 C ATOM 330 O LYS A 24 5.161 2.973 -10.177 1.00 12.13 O ATOM 331 CB LYS A 24 7.831 2.245 -10.864 1.00 30.11 C ATOM 332 CG LYS A 24 7.656 2.678 -12.332 1.00 5.00 C ATOM 333 CD LYS A 24 7.199 1.498 -13.194 1.00 10.30 C ATOM 334 CE LYS A 24 6.983 1.891 -14.659 1.00 34.50 C ATOM 335 NZ LYS A 24 8.237 2.190 -15.375 1.00 10.14 N ATOM 0 H LYS A 24 6.759 2.159 -8.299 1.00 12.34 H new ATOM 0 HA LYS A 24 8.184 4.154 -9.979 1.00 23.40 H new ATOM 0 HB2 LYS A 24 8.864 1.934 -10.711 1.00 30.11 H new ATOM 0 HB3 LYS A 24 7.205 1.372 -10.679 1.00 30.11 H new ATOM 0 HG2 LYS A 24 6.925 3.484 -12.394 1.00 5.00 H new ATOM 0 HG3 LYS A 24 8.598 3.071 -12.715 1.00 5.00 H new ATOM 0 HD2 LYS A 24 7.943 0.703 -13.140 1.00 10.30 H new ATOM 0 HD3 LYS A 24 6.271 1.094 -12.789 1.00 10.30 H new ATOM 0 HE2 LYS A 24 6.464 1.081 -15.172 1.00 34.50 H new ATOM 0 HE3 LYS A 24 6.332 2.764 -14.701 1.00 34.50 H new ATOM 0 HZ1 LYS A 24 8.022 2.448 -16.359 1.00 10.14 H new ATOM 0 HZ2 LYS A 24 8.723 2.982 -14.908 1.00 10.14 H new ATOM 0 HZ3 LYS A 24 8.852 1.351 -15.364 1.00 10.14 H new ATOM 349 N ASN A 25 5.792 5.113 -9.902 1.00 25.22 N ATOM 350 CA ASN A 25 4.461 5.705 -10.083 1.00 2.34 C ATOM 351 C ASN A 25 3.371 5.014 -9.243 1.00 34.32 C ATOM 352 O ASN A 25 2.251 4.815 -9.713 1.00 53.21 O ATOM 353 CB ASN A 25 4.114 5.738 -11.583 1.00 34.30 C ATOM 354 CG ASN A 25 3.243 6.925 -11.956 1.00 31.52 C ATOM 355 OD1 ASN A 25 3.645 7.739 -12.781 1.00 5.11 O ATOM 356 ND2 ASN A 25 2.066 7.072 -11.380 1.00 25.42 N ATOM 0 H ASN A 25 6.516 5.802 -9.696 1.00 25.22 H new ATOM 0 HA ASN A 25 4.494 6.728 -9.707 1.00 2.34 H new ATOM 0 HB2 ASN A 25 5.035 5.771 -12.164 1.00 34.30 H new ATOM 0 HB3 ASN A 25 3.600 4.816 -11.853 1.00 34.30 H new ATOM 0 HD21 ASN A 25 1.477 7.870 -11.619 1.00 25.42 H new ATOM 0 HD22 ASN A 25 1.744 6.388 -10.696 1.00 25.42 H new ATOM 363 N GLY A 26 3.700 4.592 -8.020 1.00 34.23 N ATOM 364 CA GLY A 26 2.774 3.914 -7.116 1.00 32.20 C ATOM 365 C GLY A 26 2.632 2.412 -7.381 1.00 21.51 C ATOM 366 O GLY A 26 2.058 1.704 -6.552 1.00 2.20 O ATOM 0 H GLY A 26 4.633 4.715 -7.626 1.00 34.23 H new ATOM 0 HA2 GLY A 26 3.111 4.061 -6.090 1.00 32.20 H new ATOM 0 HA3 GLY A 26 1.793 4.382 -7.200 1.00 32.20 H new ATOM 370 N GLU A 27 3.176 1.878 -8.476 1.00 21.40 N ATOM 371 CA GLU A 27 3.377 0.444 -8.613 1.00 11.32 C ATOM 372 C GLU A 27 4.652 0.080 -7.848 1.00 10.30 C ATOM 373 O GLU A 27 5.617 0.846 -7.830 1.00 12.21 O ATOM 374 CB GLU A 27 3.446 0.040 -10.095 1.00 61.15 C ATOM 375 CG GLU A 27 3.126 -1.454 -10.244 1.00 31.41 C ATOM 376 CD GLU A 27 3.254 -1.953 -11.680 1.00 53.34 C ATOM 377 OE1 GLU A 27 4.382 -2.335 -12.066 1.00 23.52 O ATOM 378 OE2 GLU A 27 2.216 -2.034 -12.380 1.00 33.43 O ATOM 0 H GLU A 27 3.485 2.424 -9.281 1.00 21.40 H new ATOM 0 HA GLU A 27 2.536 -0.108 -8.193 1.00 11.32 H new ATOM 0 HB2 GLU A 27 2.739 0.632 -10.676 1.00 61.15 H new ATOM 0 HB3 GLU A 27 4.439 0.250 -10.492 1.00 61.15 H new ATOM 0 HG2 GLU A 27 3.796 -2.029 -9.605 1.00 31.41 H new ATOM 0 HG3 GLU A 27 2.112 -1.639 -9.890 1.00 31.41 H new ATOM 385 N LEU A 28 4.676 -1.090 -7.216 1.00 44.41 N ATOM 386 CA LEU A 28 5.779 -1.607 -6.422 1.00 11.04 C ATOM 387 C LEU A 28 6.146 -2.954 -7.031 1.00 23.42 C ATOM 388 O LEU A 28 5.452 -3.951 -6.812 1.00 24.43 O ATOM 389 CB LEU A 28 5.375 -1.785 -4.947 1.00 51.41 C ATOM 390 CG LEU A 28 5.459 -0.572 -4.003 1.00 31.43 C ATOM 391 CD1 LEU A 28 6.893 -0.269 -3.577 1.00 31.42 C ATOM 392 CD2 LEU A 28 4.815 0.712 -4.533 1.00 72.42 C ATOM 0 H LEU A 28 3.885 -1.733 -7.247 1.00 44.41 H new ATOM 0 HA LEU A 28 6.619 -0.913 -6.435 1.00 11.04 H new ATOM 0 HB2 LEU A 28 4.347 -2.147 -4.928 1.00 51.41 H new ATOM 0 HB3 LEU A 28 5.999 -2.574 -4.527 1.00 51.41 H new ATOM 0 HG LEU A 28 4.871 -0.888 -3.141 1.00 31.43 H new ATOM 0 HD11 LEU A 28 6.900 0.595 -2.912 1.00 31.42 H new ATOM 0 HD12 LEU A 28 7.308 -1.132 -3.056 1.00 31.42 H new ATOM 0 HD13 LEU A 28 7.497 -0.053 -4.459 1.00 31.42 H new ATOM 0 HD21 LEU A 28 4.927 1.507 -3.795 1.00 72.42 H new ATOM 0 HD22 LEU A 28 5.303 1.007 -5.462 1.00 72.42 H new ATOM 0 HD23 LEU A 28 3.755 0.537 -4.720 1.00 72.42 H new ATOM 404 N LYS A 29 7.220 -2.986 -7.818 1.00 62.22 N ATOM 405 CA LYS A 29 7.784 -4.222 -8.337 1.00 4.01 C ATOM 406 C LYS A 29 8.409 -4.963 -7.175 1.00 1.44 C ATOM 407 O LYS A 29 9.145 -4.358 -6.389 1.00 73.31 O ATOM 408 CB LYS A 29 8.843 -3.901 -9.399 1.00 41.45 C ATOM 409 CG LYS A 29 9.344 -5.143 -10.159 1.00 71.23 C ATOM 410 CD LYS A 29 8.984 -5.118 -11.655 1.00 63.24 C ATOM 411 CE LYS A 29 8.411 -6.477 -12.075 1.00 10.41 C ATOM 412 NZ LYS A 29 8.193 -6.602 -13.528 1.00 4.21 N ATOM 0 H LYS A 29 7.723 -2.149 -8.113 1.00 62.22 H new ATOM 0 HA LYS A 29 7.013 -4.836 -8.803 1.00 4.01 H new ATOM 0 HB2 LYS A 29 8.427 -3.191 -10.113 1.00 41.45 H new ATOM 0 HB3 LYS A 29 9.691 -3.411 -8.920 1.00 41.45 H new ATOM 0 HG2 LYS A 29 10.426 -5.215 -10.053 1.00 71.23 H new ATOM 0 HG3 LYS A 29 8.919 -6.037 -9.703 1.00 71.23 H new ATOM 0 HD2 LYS A 29 8.256 -4.330 -11.850 1.00 63.24 H new ATOM 0 HD3 LYS A 29 9.869 -4.888 -12.248 1.00 63.24 H new ATOM 0 HE2 LYS A 29 9.090 -7.265 -11.749 1.00 10.41 H new ATOM 0 HE3 LYS A 29 7.465 -6.638 -11.559 1.00 10.41 H new ATOM 0 HZ1 LYS A 29 7.805 -7.543 -13.741 1.00 4.21 H new ATOM 0 HZ2 LYS A 29 7.522 -5.872 -13.843 1.00 4.21 H new ATOM 0 HZ3 LYS A 29 9.097 -6.479 -14.027 1.00 4.21 H new ATOM 426 N VAL A 30 8.166 -6.259 -7.090 1.00 31.14 N ATOM 427 CA VAL A 30 8.766 -7.150 -6.109 1.00 3.30 C ATOM 428 C VAL A 30 9.129 -8.432 -6.838 1.00 11.23 C ATOM 429 O VAL A 30 8.407 -8.880 -7.738 1.00 70.44 O ATOM 430 CB VAL A 30 7.786 -7.413 -4.954 1.00 24.44 C ATOM 431 CG1 VAL A 30 8.409 -8.230 -3.829 1.00 30.32 C ATOM 432 CG2 VAL A 30 7.229 -6.117 -4.345 1.00 14.10 C ATOM 0 H VAL A 30 7.524 -6.737 -7.722 1.00 31.14 H new ATOM 0 HA VAL A 30 9.658 -6.707 -5.666 1.00 3.30 H new ATOM 0 HB VAL A 30 6.974 -7.981 -5.409 1.00 24.44 H new ATOM 0 HG11 VAL A 30 7.672 -8.385 -3.041 1.00 30.32 H new ATOM 0 HG12 VAL A 30 8.734 -9.195 -4.217 1.00 30.32 H new ATOM 0 HG13 VAL A 30 9.267 -7.695 -3.423 1.00 30.32 H new ATOM 0 HG21 VAL A 30 6.543 -6.362 -3.534 1.00 14.10 H new ATOM 0 HG22 VAL A 30 8.050 -5.515 -3.956 1.00 14.10 H new ATOM 0 HG23 VAL A 30 6.698 -5.553 -5.112 1.00 14.10 H new ATOM 442 N GLU A 31 10.274 -8.990 -6.476 1.00 70.51 N ATOM 443 CA GLU A 31 10.764 -10.240 -7.019 1.00 22.30 C ATOM 444 C GLU A 31 10.173 -11.399 -6.221 1.00 31.11 C ATOM 445 O GLU A 31 9.555 -11.192 -5.178 1.00 52.43 O ATOM 446 CB GLU A 31 12.290 -10.219 -6.978 1.00 25.30 C ATOM 447 CG GLU A 31 12.835 -10.348 -5.553 1.00 34.51 C ATOM 448 CD GLU A 31 14.258 -9.823 -5.470 1.00 62.13 C ATOM 449 OE1 GLU A 31 15.100 -10.241 -6.296 1.00 2.00 O ATOM 450 OE2 GLU A 31 14.489 -8.932 -4.629 1.00 63.45 O ATOM 0 H GLU A 31 10.898 -8.576 -5.783 1.00 70.51 H new ATOM 0 HA GLU A 31 10.457 -10.372 -8.056 1.00 22.30 H new ATOM 0 HB2 GLU A 31 12.679 -11.034 -7.588 1.00 25.30 H new ATOM 0 HB3 GLU A 31 12.650 -9.290 -7.420 1.00 25.30 H new ATOM 0 HG2 GLU A 31 12.198 -9.794 -4.864 1.00 34.51 H new ATOM 0 HG3 GLU A 31 12.809 -11.392 -5.242 1.00 34.51 H new ATOM 457 N ALA A 32 10.384 -12.629 -6.671 1.00 61.35 N ATOM 458 CA ALA A 32 9.720 -13.781 -6.079 1.00 13.14 C ATOM 459 C ALA A 32 10.072 -14.075 -4.620 1.00 64.41 C ATOM 460 O ALA A 32 9.339 -14.820 -3.983 1.00 23.33 O ATOM 461 CB ALA A 32 10.022 -14.996 -6.937 1.00 44.11 C ATOM 0 H ALA A 32 11.010 -12.854 -7.444 1.00 61.35 H new ATOM 0 HA ALA A 32 8.657 -13.539 -6.057 1.00 13.14 H new ATOM 0 HB1 ALA A 32 9.534 -15.873 -6.511 1.00 44.11 H new ATOM 0 HB2 ALA A 32 9.651 -14.829 -7.948 1.00 44.11 H new ATOM 0 HB3 ALA A 32 11.099 -15.160 -6.969 1.00 44.11 H new ATOM 467 N GLU A 33 11.139 -13.494 -4.087 1.00 4.24 N ATOM 468 CA GLU A 33 11.607 -13.640 -2.704 1.00 33.34 C ATOM 469 C GLU A 33 10.740 -12.809 -1.772 1.00 72.45 C ATOM 470 O GLU A 33 10.665 -13.050 -0.572 1.00 34.33 O ATOM 471 CB GLU A 33 13.009 -13.052 -2.605 1.00 43.32 C ATOM 472 CG GLU A 33 14.057 -13.710 -3.507 1.00 25.34 C ATOM 473 CD GLU A 33 14.891 -14.781 -2.793 1.00 25.20 C ATOM 474 OE1 GLU A 33 15.444 -14.473 -1.702 1.00 72.44 O ATOM 475 OE2 GLU A 33 14.969 -15.923 -3.295 1.00 2.34 O ATOM 0 H GLU A 33 11.737 -12.874 -4.633 1.00 4.24 H new ATOM 0 HA GLU A 33 11.575 -14.695 -2.434 1.00 33.34 H new ATOM 0 HB2 GLU A 33 12.959 -11.991 -2.848 1.00 43.32 H new ATOM 0 HB3 GLU A 33 13.345 -13.127 -1.571 1.00 43.32 H new ATOM 0 HG2 GLU A 33 13.556 -14.162 -4.363 1.00 25.34 H new ATOM 0 HG3 GLU A 33 14.724 -12.941 -3.897 1.00 25.34 H new ATOM 482 N GLY A 34 10.085 -11.809 -2.348 1.00 4.04 N ATOM 483 CA GLY A 34 9.443 -10.752 -1.632 1.00 24.31 C ATOM 484 C GLY A 34 10.484 -9.732 -1.179 1.00 23.52 C ATOM 485 O GLY A 34 11.677 -9.839 -1.481 1.00 32.33 O ATOM 0 H GLY A 34 9.992 -11.723 -3.360 1.00 4.04 H new ATOM 0 HA2 GLY A 34 8.699 -10.270 -2.266 1.00 24.31 H new ATOM 0 HA3 GLY A 34 8.913 -11.154 -0.768 1.00 24.31 H new ATOM 489 N GLY A 35 10.016 -8.709 -0.479 1.00 65.52 N ATOM 490 CA GLY A 35 10.848 -7.812 0.306 1.00 54.15 C ATOM 491 C GLY A 35 9.956 -6.920 1.158 1.00 23.14 C ATOM 492 O GLY A 35 8.727 -6.926 1.005 1.00 63.25 O ATOM 0 H GLY A 35 9.024 -8.475 -0.441 1.00 65.52 H new ATOM 0 HA2 GLY A 35 11.523 -8.385 0.942 1.00 54.15 H new ATOM 0 HA3 GLY A 35 11.469 -7.204 -0.352 1.00 54.15 H new ATOM 496 N SER A 36 10.566 -6.149 2.049 1.00 45.22 N ATOM 497 CA SER A 36 9.889 -5.194 2.904 1.00 12.34 C ATOM 498 C SER A 36 10.079 -3.777 2.348 1.00 42.34 C ATOM 499 O SER A 36 11.003 -3.528 1.565 1.00 21.10 O ATOM 500 CB SER A 36 10.405 -5.361 4.334 1.00 65.43 C ATOM 501 OG SER A 36 11.784 -5.072 4.477 1.00 50.45 O ATOM 0 H SER A 36 11.575 -6.175 2.198 1.00 45.22 H new ATOM 0 HA SER A 36 8.814 -5.374 2.924 1.00 12.34 H new ATOM 0 HB2 SER A 36 9.835 -4.708 4.995 1.00 65.43 H new ATOM 0 HB3 SER A 36 10.221 -6.385 4.660 1.00 65.43 H new ATOM 0 HG SER A 36 12.049 -5.196 5.412 1.00 50.45 H new ATOM 507 N SER A 37 9.226 -2.845 2.770 1.00 64.22 N ATOM 508 CA SER A 37 9.326 -1.424 2.487 1.00 34.41 C ATOM 509 C SER A 37 8.778 -0.615 3.674 1.00 11.01 C ATOM 510 O SER A 37 8.212 -1.172 4.623 1.00 42.01 O ATOM 511 CB SER A 37 8.565 -1.126 1.190 1.00 64.23 C ATOM 512 OG SER A 37 9.258 -1.605 0.048 1.00 54.42 O ATOM 0 H SER A 37 8.414 -3.075 3.342 1.00 64.22 H new ATOM 0 HA SER A 37 10.367 -1.133 2.350 1.00 34.41 H new ATOM 0 HB2 SER A 37 7.578 -1.585 1.235 1.00 64.23 H new ATOM 0 HB3 SER A 37 8.412 -0.051 1.098 1.00 64.23 H new ATOM 0 HG SER A 37 9.998 -2.181 0.332 1.00 54.42 H new ATOM 518 N LEU A 38 8.946 0.709 3.618 1.00 73.34 N ATOM 519 CA LEU A 38 8.544 1.686 4.626 1.00 25.33 C ATOM 520 C LEU A 38 7.969 2.905 3.919 1.00 4.42 C ATOM 521 O LEU A 38 8.569 3.393 2.952 1.00 12.02 O ATOM 522 CB LEU A 38 9.775 2.099 5.448 1.00 4.13 C ATOM 523 CG LEU A 38 9.582 3.357 6.322 1.00 63.25 C ATOM 524 CD1 LEU A 38 8.603 3.108 7.469 1.00 45.04 C ATOM 525 CD2 LEU A 38 10.931 3.788 6.888 1.00 31.13 C ATOM 0 H LEU A 38 9.395 1.152 2.816 1.00 73.34 H new ATOM 0 HA LEU A 38 7.795 1.256 5.291 1.00 25.33 H new ATOM 0 HB2 LEU A 38 10.059 1.267 6.092 1.00 4.13 H new ATOM 0 HB3 LEU A 38 10.607 2.273 4.766 1.00 4.13 H new ATOM 0 HG LEU A 38 9.164 4.144 5.693 1.00 63.25 H new ATOM 0 HD11 LEU A 38 8.495 4.018 8.060 1.00 45.04 H new ATOM 0 HD12 LEU A 38 7.633 2.822 7.063 1.00 45.04 H new ATOM 0 HD13 LEU A 38 8.982 2.306 8.103 1.00 45.04 H new ATOM 0 HD21 LEU A 38 10.799 4.676 7.506 1.00 31.13 H new ATOM 0 HD22 LEU A 38 11.345 2.982 7.494 1.00 31.13 H new ATOM 0 HD23 LEU A 38 11.614 4.014 6.069 1.00 31.13 H new ATOM 537 N PHE A 39 6.863 3.415 4.457 1.00 65.21 N ATOM 538 CA PHE A 39 6.050 4.488 3.924 1.00 22.51 C ATOM 539 C PHE A 39 5.737 5.429 5.082 1.00 43.33 C ATOM 540 O PHE A 39 4.936 5.094 5.953 1.00 4.14 O ATOM 541 CB PHE A 39 4.791 3.898 3.281 1.00 1.01 C ATOM 542 CG PHE A 39 5.122 2.846 2.248 1.00 50.42 C ATOM 543 CD1 PHE A 39 5.402 3.234 0.929 1.00 52.42 C ATOM 544 CD2 PHE A 39 5.239 1.495 2.624 1.00 42.24 C ATOM 545 CE1 PHE A 39 5.786 2.271 -0.015 1.00 73.21 C ATOM 546 CE2 PHE A 39 5.633 0.532 1.684 1.00 62.33 C ATOM 547 CZ PHE A 39 5.916 0.922 0.365 1.00 33.11 C ATOM 0 H PHE A 39 6.492 3.059 5.338 1.00 65.21 H new ATOM 0 HA PHE A 39 6.563 5.049 3.143 1.00 22.51 H new ATOM 0 HB2 PHE A 39 4.160 3.460 4.055 1.00 1.01 H new ATOM 0 HB3 PHE A 39 4.215 4.696 2.813 1.00 1.01 H new ATOM 0 HD1 PHE A 39 5.322 4.272 0.642 1.00 52.42 H new ATOM 0 HD2 PHE A 39 5.025 1.199 3.640 1.00 42.24 H new ATOM 0 HE1 PHE A 39 5.982 2.565 -1.036 1.00 73.21 H new ATOM 0 HE2 PHE A 39 5.718 -0.505 1.973 1.00 62.33 H new ATOM 0 HZ PHE A 39 6.234 0.186 -0.359 1.00 33.11 H new ATOM 557 N ALA A 40 6.405 6.585 5.141 1.00 34.12 N ATOM 558 CA ALA A 40 6.273 7.513 6.265 1.00 41.15 C ATOM 559 C ALA A 40 5.537 8.778 5.836 1.00 22.51 C ATOM 560 O ALA A 40 5.980 9.509 4.943 1.00 50.42 O ATOM 561 CB ALA A 40 7.624 7.790 6.925 1.00 34.12 C ATOM 0 H ALA A 40 7.048 6.901 4.415 1.00 34.12 H new ATOM 0 HA ALA A 40 5.661 7.044 7.035 1.00 41.15 H new ATOM 0 HB1 ALA A 40 7.488 8.483 7.755 1.00 34.12 H new ATOM 0 HB2 ALA A 40 8.046 6.856 7.297 1.00 34.12 H new ATOM 0 HB3 ALA A 40 8.303 8.229 6.194 1.00 34.12 H new ATOM 567 N CYS A 41 4.375 8.996 6.446 1.00 11.01 N ATOM 568 CA CYS A 41 3.344 9.894 5.954 1.00 44.03 C ATOM 569 C CYS A 41 3.576 11.304 6.500 1.00 14.12 C ATOM 570 O CYS A 41 3.212 11.614 7.635 1.00 11.00 O ATOM 571 CB CYS A 41 1.968 9.345 6.347 1.00 61.43 C ATOM 572 SG CYS A 41 1.914 8.744 8.039 1.00 65.52 S ATOM 0 H CYS A 41 4.121 8.538 7.321 1.00 11.01 H new ATOM 0 HA CYS A 41 3.386 9.956 4.867 1.00 44.03 H new ATOM 0 HB2 CYS A 41 1.220 10.128 6.221 1.00 61.43 H new ATOM 0 HB3 CYS A 41 1.699 8.534 5.670 1.00 61.43 H new ATOM 0 HG CYS A 41 2.790 7.796 8.191 1.00 65.52 H new ATOM 578 N LYS A 42 4.177 12.207 5.720 1.00 73.13 N ATOM 579 CA LYS A 42 4.677 13.469 6.287 1.00 32.13 C ATOM 580 C LYS A 42 3.638 14.583 6.135 1.00 45.03 C ATOM 581 O LYS A 42 3.962 15.717 5.788 1.00 21.20 O ATOM 582 CB LYS A 42 6.043 13.793 5.680 1.00 12.11 C ATOM 583 CG LYS A 42 6.850 14.777 6.550 1.00 54.11 C ATOM 584 CD LYS A 42 7.969 14.109 7.363 1.00 44.32 C ATOM 585 CE LYS A 42 8.320 14.960 8.589 1.00 12.12 C ATOM 586 NZ LYS A 42 9.475 14.429 9.343 1.00 65.52 N ATOM 0 H LYS A 42 4.328 12.096 4.717 1.00 73.13 H new ATOM 0 HA LYS A 42 4.830 13.369 7.362 1.00 32.13 H new ATOM 0 HB2 LYS A 42 6.611 12.871 5.556 1.00 12.11 H new ATOM 0 HB3 LYS A 42 5.905 14.219 4.686 1.00 12.11 H new ATOM 0 HG2 LYS A 42 7.287 15.542 5.908 1.00 54.11 H new ATOM 0 HG3 LYS A 42 6.170 15.285 7.234 1.00 54.11 H new ATOM 0 HD2 LYS A 42 7.653 13.115 7.681 1.00 44.32 H new ATOM 0 HD3 LYS A 42 8.853 13.978 6.738 1.00 44.32 H new ATOM 0 HE2 LYS A 42 8.539 15.979 8.268 1.00 12.12 H new ATOM 0 HE3 LYS A 42 7.454 15.013 9.249 1.00 12.12 H new ATOM 0 HZ1 LYS A 42 9.668 15.043 10.160 1.00 65.52 H new ATOM 0 HZ2 LYS A 42 9.260 13.467 9.675 1.00 65.52 H new ATOM 0 HZ3 LYS A 42 10.311 14.403 8.725 1.00 65.52 H new ATOM 600 N ASN A 43 2.366 14.203 6.243 1.00 70.24 N ATOM 601 CA ASN A 43 1.192 15.072 6.058 1.00 54.24 C ATOM 602 C ASN A 43 -0.158 14.438 6.449 1.00 23.53 C ATOM 603 O ASN A 43 -1.167 15.141 6.422 1.00 63.41 O ATOM 604 CB ASN A 43 1.077 15.586 4.604 1.00 5.42 C ATOM 605 CG ASN A 43 0.805 14.533 3.550 1.00 52.24 C ATOM 606 OD1 ASN A 43 1.191 13.288 3.760 1.00 42.31 O flip ATOM 607 ND2 ASN A 43 0.283 14.853 2.495 1.00 34.32 N flip ATOM 0 H ASN A 43 2.108 13.243 6.471 1.00 70.24 H new ATOM 0 HA ASN A 43 1.380 15.895 6.748 1.00 54.24 H new ATOM 0 HB2 ASN A 43 0.279 16.328 4.563 1.00 5.42 H new ATOM 0 HB3 ASN A 43 2.003 16.100 4.346 1.00 5.42 H new ATOM 0 HD21 ASN A 43 -0.011 15.818 2.344 1.00 34.32 H new ATOM 0 HD22 ASN A 43 0.141 14.156 1.764 1.00 34.32 H new ATOM 614 N TYR A 44 -0.214 13.142 6.786 1.00 73.31 N ATOM 615 CA TYR A 44 -1.450 12.433 7.133 1.00 44.04 C ATOM 616 C TYR A 44 -1.080 11.277 8.064 1.00 70.31 C ATOM 617 O TYR A 44 -0.885 10.159 7.606 1.00 3.10 O ATOM 618 CB TYR A 44 -2.144 11.876 5.875 1.00 25.54 C ATOM 619 CG TYR A 44 -2.923 12.847 5.011 1.00 53.02 C ATOM 620 CD1 TYR A 44 -4.253 13.167 5.323 1.00 41.23 C ATOM 621 CD2 TYR A 44 -2.361 13.346 3.829 1.00 25.40 C ATOM 622 CE1 TYR A 44 -5.014 13.969 4.455 1.00 33.34 C ATOM 623 CE2 TYR A 44 -3.111 14.145 2.949 1.00 62.54 C ATOM 624 CZ TYR A 44 -4.452 14.453 3.254 1.00 10.41 C ATOM 625 OH TYR A 44 -5.189 15.248 2.428 1.00 3.43 O ATOM 0 H TYR A 44 0.614 12.548 6.825 1.00 73.31 H new ATOM 0 HA TYR A 44 -2.141 13.123 7.617 1.00 44.04 H new ATOM 0 HB2 TYR A 44 -1.382 11.409 5.251 1.00 25.54 H new ATOM 0 HB3 TYR A 44 -2.826 11.086 6.190 1.00 25.54 H new ATOM 0 HD1 TYR A 44 -4.695 12.795 6.236 1.00 41.23 H new ATOM 0 HD2 TYR A 44 -1.334 13.113 3.590 1.00 25.40 H new ATOM 0 HE1 TYR A 44 -6.034 14.216 4.708 1.00 33.34 H new ATOM 0 HE2 TYR A 44 -2.661 14.522 2.042 1.00 62.54 H new ATOM 0 HH TYR A 44 -4.773 15.273 1.541 1.00 3.43 H new ATOM 635 N LYS A 45 -0.927 11.544 9.358 1.00 30.10 N ATOM 636 CA LYS A 45 -0.518 10.563 10.368 1.00 25.54 C ATOM 637 C LYS A 45 -1.684 9.723 10.904 1.00 41.13 C ATOM 638 O LYS A 45 -1.500 8.917 11.807 1.00 31.33 O ATOM 639 CB LYS A 45 0.226 11.314 11.483 1.00 31.23 C ATOM 640 CG LYS A 45 1.592 11.800 10.965 1.00 52.11 C ATOM 641 CD LYS A 45 1.829 13.309 10.991 1.00 25.34 C ATOM 642 CE LYS A 45 3.268 13.566 10.514 1.00 73.31 C ATOM 643 NZ LYS A 45 3.741 14.920 10.862 1.00 71.55 N ATOM 0 H LYS A 45 -1.088 12.473 9.747 1.00 30.10 H new ATOM 0 HA LYS A 45 0.146 9.833 9.906 1.00 25.54 H new ATOM 0 HB2 LYS A 45 -0.368 12.163 11.821 1.00 31.23 H new ATOM 0 HB3 LYS A 45 0.365 10.660 12.344 1.00 31.23 H new ATOM 0 HG2 LYS A 45 2.372 11.321 11.557 1.00 52.11 H new ATOM 0 HG3 LYS A 45 1.712 11.453 9.939 1.00 52.11 H new ATOM 0 HD2 LYS A 45 1.115 13.819 10.344 1.00 25.34 H new ATOM 0 HD3 LYS A 45 1.684 13.701 11.998 1.00 25.34 H new ATOM 0 HE2 LYS A 45 3.933 12.826 10.959 1.00 73.31 H new ATOM 0 HE3 LYS A 45 3.319 13.432 9.433 1.00 73.31 H new ATOM 0 HZ1 LYS A 45 4.715 15.046 10.520 1.00 71.55 H new ATOM 0 HZ2 LYS A 45 3.123 15.629 10.417 1.00 71.55 H new ATOM 0 HZ3 LYS A 45 3.718 15.041 11.895 1.00 71.55 H new ATOM 657 N SER A 46 -2.881 9.915 10.359 1.00 3.23 N ATOM 658 CA SER A 46 -4.135 9.375 10.872 1.00 74.15 C ATOM 659 C SER A 46 -4.925 8.709 9.740 1.00 45.02 C ATOM 660 O SER A 46 -5.789 9.340 9.135 1.00 24.33 O ATOM 661 CB SER A 46 -4.913 10.506 11.562 1.00 2.32 C ATOM 662 OG SER A 46 -4.853 11.735 10.841 1.00 24.42 O ATOM 0 H SER A 46 -3.009 10.473 9.515 1.00 3.23 H new ATOM 0 HA SER A 46 -3.948 8.598 11.613 1.00 74.15 H new ATOM 0 HB2 SER A 46 -5.955 10.207 11.677 1.00 2.32 H new ATOM 0 HB3 SER A 46 -4.513 10.658 12.564 1.00 2.32 H new ATOM 0 HG SER A 46 -5.364 12.420 11.320 1.00 24.42 H new ATOM 668 N PHE A 47 -4.604 7.457 9.410 1.00 70.14 N ATOM 669 CA PHE A 47 -5.147 6.734 8.259 1.00 3.32 C ATOM 670 C PHE A 47 -5.301 5.244 8.559 1.00 54.43 C ATOM 671 O PHE A 47 -4.757 4.755 9.555 1.00 22.13 O ATOM 672 CB PHE A 47 -4.243 6.972 7.034 1.00 4.13 C ATOM 673 CG PHE A 47 -2.839 6.408 7.128 1.00 3.23 C ATOM 674 CD1 PHE A 47 -1.886 7.038 7.947 1.00 4.41 C ATOM 675 CD2 PHE A 47 -2.473 5.273 6.379 1.00 30.10 C ATOM 676 CE1 PHE A 47 -0.590 6.520 8.042 1.00 32.42 C ATOM 677 CE2 PHE A 47 -1.159 4.777 6.449 1.00 33.11 C ATOM 678 CZ PHE A 47 -0.219 5.405 7.284 1.00 1.02 C ATOM 0 H PHE A 47 -3.941 6.903 9.951 1.00 70.14 H new ATOM 0 HA PHE A 47 -6.145 7.115 8.040 1.00 3.32 H new ATOM 0 HB2 PHE A 47 -4.729 6.541 6.159 1.00 4.13 H new ATOM 0 HB3 PHE A 47 -4.172 8.046 6.862 1.00 4.13 H new ATOM 0 HD1 PHE A 47 -2.155 7.923 8.504 1.00 4.41 H new ATOM 0 HD2 PHE A 47 -3.202 4.783 5.750 1.00 30.10 H new ATOM 0 HE1 PHE A 47 0.127 6.983 8.704 1.00 32.42 H new ATOM 0 HE2 PHE A 47 -0.873 3.916 5.863 1.00 33.11 H new ATOM 0 HZ PHE A 47 0.791 5.026 7.340 1.00 1.02 H new ATOM 688 N TRP A 48 -6.031 4.537 7.696 1.00 63.33 N ATOM 689 CA TRP A 48 -6.348 3.124 7.835 1.00 22.20 C ATOM 690 C TRP A 48 -6.295 2.404 6.490 1.00 21.50 C ATOM 691 O TRP A 48 -6.201 3.011 5.418 1.00 31.53 O ATOM 692 CB TRP A 48 -7.724 2.962 8.504 1.00 32.40 C ATOM 693 CG TRP A 48 -8.874 3.682 7.865 1.00 4.43 C ATOM 694 CD1 TRP A 48 -9.704 3.149 6.943 1.00 43.24 C ATOM 695 CD2 TRP A 48 -9.322 5.061 8.051 1.00 61.53 C ATOM 696 NE1 TRP A 48 -10.581 4.113 6.495 1.00 10.10 N ATOM 697 CE2 TRP A 48 -10.386 5.315 7.136 1.00 22.42 C ATOM 698 CE3 TRP A 48 -8.927 6.130 8.884 1.00 21.51 C ATOM 699 CZ2 TRP A 48 -11.000 6.572 7.028 1.00 21.35 C ATOM 700 CZ3 TRP A 48 -9.540 7.393 8.791 1.00 13.34 C ATOM 701 CH2 TRP A 48 -10.571 7.618 7.861 1.00 43.30 C ATOM 0 H TRP A 48 -6.430 4.951 6.853 1.00 63.33 H new ATOM 0 HA TRP A 48 -5.594 2.661 8.472 1.00 22.20 H new ATOM 0 HB2 TRP A 48 -7.964 1.899 8.536 1.00 32.40 H new ATOM 0 HB3 TRP A 48 -7.642 3.301 9.537 1.00 32.40 H new ATOM 0 HD1 TRP A 48 -9.684 2.123 6.607 1.00 43.24 H new ATOM 0 HE1 TRP A 48 -11.288 3.955 5.777 1.00 10.10 H new ATOM 0 HE3 TRP A 48 -8.139 5.975 9.606 1.00 21.51 H new ATOM 0 HZ2 TRP A 48 -11.793 6.733 6.313 1.00 21.35 H new ATOM 0 HZ3 TRP A 48 -9.217 8.195 9.438 1.00 13.34 H new ATOM 0 HH2 TRP A 48 -11.031 8.592 7.788 1.00 43.30 H new ATOM 712 N ILE A 49 -6.342 1.077 6.577 1.00 32.42 N ATOM 713 CA ILE A 49 -6.547 0.153 5.474 1.00 14.12 C ATOM 714 C ILE A 49 -8.063 0.077 5.317 1.00 12.33 C ATOM 715 O ILE A 49 -8.720 -0.204 6.318 1.00 72.12 O ATOM 716 CB ILE A 49 -5.983 -1.236 5.835 1.00 30.40 C ATOM 717 CG1 ILE A 49 -4.495 -1.159 6.257 1.00 24.20 C ATOM 718 CG2 ILE A 49 -6.219 -2.258 4.695 1.00 22.30 C ATOM 719 CD1 ILE A 49 -3.487 -1.204 5.106 1.00 2.44 C ATOM 0 H ILE A 49 -6.232 0.595 7.469 1.00 32.42 H new ATOM 0 HA ILE A 49 -6.048 0.476 4.561 1.00 14.12 H new ATOM 0 HB ILE A 49 -6.534 -1.598 6.703 1.00 30.40 H new ATOM 0 HG12 ILE A 49 -4.340 -0.237 6.818 1.00 24.20 H new ATOM 0 HG13 ILE A 49 -4.284 -1.985 6.936 1.00 24.20 H new ATOM 0 HG21 ILE A 49 -5.809 -3.226 4.983 1.00 22.30 H new ATOM 0 HG22 ILE A 49 -7.289 -2.357 4.511 1.00 22.30 H new ATOM 0 HG23 ILE A 49 -5.726 -1.911 3.787 1.00 22.30 H new ATOM 0 HD11 ILE A 49 -2.475 -1.144 5.506 1.00 2.44 H new ATOM 0 HD12 ILE A 49 -3.605 -2.137 4.555 1.00 2.44 H new ATOM 0 HD13 ILE A 49 -3.663 -0.363 4.436 1.00 2.44 H new ATOM 731 N SER A 50 -8.619 0.255 4.117 1.00 50.04 N ATOM 732 CA SER A 50 -10.018 -0.116 3.878 1.00 73.41 C ATOM 733 C SER A 50 -10.189 -1.009 2.649 1.00 25.51 C ATOM 734 O SER A 50 -11.126 -1.800 2.630 1.00 71.42 O ATOM 735 CB SER A 50 -10.915 1.127 3.854 1.00 61.12 C ATOM 736 OG SER A 50 -12.223 0.826 4.316 1.00 24.21 O ATOM 0 H SER A 50 -8.135 0.646 3.309 1.00 50.04 H new ATOM 0 HA SER A 50 -10.346 -0.729 4.717 1.00 73.41 H new ATOM 0 HB2 SER A 50 -10.477 1.907 4.477 1.00 61.12 H new ATOM 0 HB3 SER A 50 -10.967 1.522 2.839 1.00 61.12 H new ATOM 0 HG SER A 50 -12.773 1.637 4.292 1.00 24.21 H new ATOM 742 N SER A 51 -9.252 -1.006 1.695 1.00 23.30 N ATOM 743 CA SER A 51 -9.344 -1.854 0.515 1.00 70.13 C ATOM 744 C SER A 51 -8.027 -2.578 0.277 1.00 12.04 C ATOM 745 O SER A 51 -6.950 -1.980 0.389 1.00 64.21 O ATOM 746 CB SER A 51 -9.688 -0.994 -0.695 1.00 51.03 C ATOM 747 OG SER A 51 -10.939 -0.354 -0.550 1.00 21.42 O ATOM 0 H SER A 51 -8.418 -0.419 1.723 1.00 23.30 H new ATOM 0 HA SER A 51 -10.124 -2.599 0.670 1.00 70.13 H new ATOM 0 HB2 SER A 51 -8.911 -0.243 -0.839 1.00 51.03 H new ATOM 0 HB3 SER A 51 -9.700 -1.616 -1.590 1.00 51.03 H new ATOM 0 HG SER A 51 -11.123 0.189 -1.345 1.00 21.42 H new ATOM 753 N VAL A 52 -8.123 -3.859 -0.082 1.00 71.25 N ATOM 754 CA VAL A 52 -6.995 -4.706 -0.425 1.00 21.21 C ATOM 755 C VAL A 52 -7.393 -5.541 -1.644 1.00 45.04 C ATOM 756 O VAL A 52 -8.530 -6.000 -1.758 1.00 31.23 O ATOM 757 CB VAL A 52 -6.594 -5.588 0.782 1.00 45.21 C ATOM 758 CG1 VAL A 52 -5.348 -6.431 0.468 1.00 62.23 C ATOM 759 CG2 VAL A 52 -6.292 -4.758 2.042 1.00 2.14 C ATOM 0 H VAL A 52 -9.018 -4.344 -0.142 1.00 71.25 H new ATOM 0 HA VAL A 52 -6.119 -4.107 -0.672 1.00 21.21 H new ATOM 0 HB VAL A 52 -7.453 -6.232 0.972 1.00 45.21 H new ATOM 0 HG11 VAL A 52 -5.092 -7.039 1.336 1.00 62.23 H new ATOM 0 HG12 VAL A 52 -5.553 -7.081 -0.383 1.00 62.23 H new ATOM 0 HG13 VAL A 52 -4.514 -5.772 0.228 1.00 62.23 H new ATOM 0 HG21 VAL A 52 -6.016 -5.424 2.859 1.00 2.14 H new ATOM 0 HG22 VAL A 52 -5.469 -4.073 1.838 1.00 2.14 H new ATOM 0 HG23 VAL A 52 -7.177 -4.187 2.323 1.00 2.14 H new ATOM 769 N LYS A 53 -6.430 -5.791 -2.530 1.00 43.05 N ATOM 770 CA LYS A 53 -6.500 -6.763 -3.620 1.00 45.02 C ATOM 771 C LYS A 53 -5.385 -7.766 -3.400 1.00 32.51 C ATOM 772 O LYS A 53 -4.322 -7.364 -2.945 1.00 14.44 O ATOM 773 CB LYS A 53 -6.392 -6.025 -4.965 1.00 44.15 C ATOM 774 CG LYS A 53 -5.841 -6.863 -6.135 1.00 53.12 C ATOM 775 CD LYS A 53 -6.286 -6.305 -7.497 1.00 45.42 C ATOM 776 CE LYS A 53 -5.982 -4.821 -7.754 1.00 64.23 C ATOM 777 NZ LYS A 53 -4.728 -4.589 -8.504 1.00 2.44 N ATOM 0 H LYS A 53 -5.537 -5.298 -2.506 1.00 43.05 H new ATOM 0 HA LYS A 53 -7.449 -7.300 -3.638 1.00 45.02 H new ATOM 0 HB2 LYS A 53 -7.381 -5.656 -5.238 1.00 44.15 H new ATOM 0 HB3 LYS A 53 -5.752 -5.153 -4.832 1.00 44.15 H new ATOM 0 HG2 LYS A 53 -4.752 -6.881 -6.088 1.00 53.12 H new ATOM 0 HG3 LYS A 53 -6.181 -7.894 -6.036 1.00 53.12 H new ATOM 0 HD2 LYS A 53 -5.809 -6.893 -8.281 1.00 45.42 H new ATOM 0 HD3 LYS A 53 -7.361 -6.456 -7.595 1.00 45.42 H new ATOM 0 HE2 LYS A 53 -6.812 -4.380 -8.307 1.00 64.23 H new ATOM 0 HE3 LYS A 53 -5.924 -4.301 -6.798 1.00 64.23 H new ATOM 0 HZ1 LYS A 53 -4.026 -4.147 -7.878 1.00 2.44 H new ATOM 0 HZ2 LYS A 53 -4.359 -5.497 -8.852 1.00 2.44 H new ATOM 0 HZ3 LYS A 53 -4.917 -3.960 -9.311 1.00 2.44 H new ATOM 791 N GLU A 54 -5.622 -9.032 -3.743 1.00 24.24 N ATOM 792 CA GLU A 54 -4.689 -10.141 -3.506 1.00 12.12 C ATOM 793 C GLU A 54 -4.668 -11.174 -4.634 1.00 4.34 C ATOM 794 O GLU A 54 -3.799 -12.049 -4.654 1.00 54.13 O ATOM 795 CB GLU A 54 -5.036 -10.816 -2.163 1.00 13.31 C ATOM 796 CG GLU A 54 -6.516 -11.235 -2.087 1.00 44.04 C ATOM 797 CD GLU A 54 -6.769 -12.361 -1.089 1.00 52.24 C ATOM 798 OE1 GLU A 54 -6.582 -12.155 0.132 1.00 14.40 O ATOM 799 OE2 GLU A 54 -7.244 -13.436 -1.520 1.00 34.41 O ATOM 0 H GLU A 54 -6.484 -9.324 -4.203 1.00 24.24 H new ATOM 0 HA GLU A 54 -3.685 -9.717 -3.473 1.00 12.12 H new ATOM 0 HB2 GLU A 54 -4.404 -11.694 -2.026 1.00 13.31 H new ATOM 0 HB3 GLU A 54 -4.812 -10.131 -1.345 1.00 13.31 H new ATOM 0 HG2 GLU A 54 -7.119 -10.370 -1.810 1.00 44.04 H new ATOM 0 HG3 GLU A 54 -6.849 -11.552 -3.075 1.00 44.04 H new ATOM 806 N GLU A 55 -5.616 -11.094 -5.570 1.00 53.33 N ATOM 807 CA GLU A 55 -5.802 -12.133 -6.578 1.00 41.42 C ATOM 808 C GLU A 55 -6.296 -11.521 -7.891 1.00 3.24 C ATOM 809 O GLU A 55 -7.136 -12.073 -8.595 1.00 50.35 O ATOM 810 CB GLU A 55 -6.743 -13.214 -6.008 1.00 50.35 C ATOM 811 CG GLU A 55 -6.149 -14.600 -6.256 1.00 71.52 C ATOM 812 CD GLU A 55 -5.944 -14.899 -7.746 1.00 2.20 C ATOM 813 OE1 GLU A 55 -6.889 -15.376 -8.419 1.00 31.31 O ATOM 814 OE2 GLU A 55 -4.823 -14.674 -8.262 1.00 63.25 O ATOM 0 H GLU A 55 -6.269 -10.314 -5.649 1.00 53.33 H new ATOM 0 HA GLU A 55 -4.854 -12.616 -6.816 1.00 41.42 H new ATOM 0 HB2 GLU A 55 -6.888 -13.056 -4.939 1.00 50.35 H new ATOM 0 HB3 GLU A 55 -7.724 -13.139 -6.477 1.00 50.35 H new ATOM 0 HG2 GLU A 55 -5.193 -14.678 -5.739 1.00 71.52 H new ATOM 0 HG3 GLU A 55 -6.807 -15.355 -5.825 1.00 71.52 H new ATOM 821 N GLY A 56 -5.845 -10.302 -8.177 1.00 5.02 N ATOM 822 CA GLY A 56 -6.320 -9.540 -9.324 1.00 24.53 C ATOM 823 C GLY A 56 -7.720 -8.965 -9.110 1.00 24.53 C ATOM 824 O GLY A 56 -8.192 -8.215 -9.963 1.00 41.33 O ATOM 0 H GLY A 56 -5.141 -9.817 -7.620 1.00 5.02 H new ATOM 0 HA2 GLY A 56 -5.624 -8.726 -9.528 1.00 24.53 H new ATOM 0 HA3 GLY A 56 -6.326 -10.182 -10.205 1.00 24.53 H new ATOM 828 N LYS A 57 -8.359 -9.238 -7.969 1.00 22.53 N ATOM 829 CA LYS A 57 -9.629 -8.685 -7.514 1.00 4.42 C ATOM 830 C LYS A 57 -9.522 -8.343 -6.026 1.00 14.03 C ATOM 831 O LYS A 57 -8.542 -8.740 -5.380 1.00 43.11 O ATOM 832 CB LYS A 57 -10.771 -9.659 -7.860 1.00 54.35 C ATOM 833 CG LYS A 57 -10.626 -11.112 -7.362 1.00 11.01 C ATOM 834 CD LYS A 57 -10.931 -11.281 -5.871 1.00 72.43 C ATOM 835 CE LYS A 57 -10.964 -12.760 -5.488 1.00 74.34 C ATOM 836 NZ LYS A 57 -11.489 -12.940 -4.121 1.00 2.21 N ATOM 0 H LYS A 57 -7.972 -9.898 -7.295 1.00 22.53 H new ATOM 0 HA LYS A 57 -9.865 -7.754 -8.029 1.00 4.42 H new ATOM 0 HB2 LYS A 57 -11.698 -9.253 -7.455 1.00 54.35 H new ATOM 0 HB3 LYS A 57 -10.880 -9.682 -8.944 1.00 54.35 H new ATOM 0 HG2 LYS A 57 -11.295 -11.753 -7.936 1.00 11.01 H new ATOM 0 HG3 LYS A 57 -9.610 -11.455 -7.558 1.00 11.01 H new ATOM 0 HD2 LYS A 57 -10.175 -10.764 -5.280 1.00 72.43 H new ATOM 0 HD3 LYS A 57 -11.890 -10.819 -5.637 1.00 72.43 H new ATOM 0 HE2 LYS A 57 -11.586 -13.309 -6.195 1.00 74.34 H new ATOM 0 HE3 LYS A 57 -9.960 -13.179 -5.554 1.00 74.34 H new ATOM 0 HZ1 LYS A 57 -11.501 -13.953 -3.884 1.00 2.21 H new ATOM 0 HZ2 LYS A 57 -10.881 -12.434 -3.446 1.00 2.21 H new ATOM 0 HZ3 LYS A 57 -12.456 -12.560 -4.068 1.00 2.21 H new ATOM 850 N PHE A 58 -10.488 -7.587 -5.507 1.00 23.53 N ATOM 851 CA PHE A 58 -10.505 -7.104 -4.131 1.00 11.22 C ATOM 852 C PHE A 58 -10.910 -8.221 -3.160 1.00 23.22 C ATOM 853 O PHE A 58 -11.356 -9.300 -3.561 1.00 41.14 O ATOM 854 CB PHE A 58 -11.471 -5.911 -4.007 1.00 43.32 C ATOM 855 CG PHE A 58 -10.928 -4.550 -4.410 1.00 51.42 C ATOM 856 CD1 PHE A 58 -10.220 -4.361 -5.614 1.00 74.51 C ATOM 857 CD2 PHE A 58 -11.186 -3.437 -3.586 1.00 33.51 C ATOM 858 CE1 PHE A 58 -9.765 -3.083 -5.974 1.00 73.24 C ATOM 859 CE2 PHE A 58 -10.739 -2.159 -3.958 1.00 34.43 C ATOM 860 CZ PHE A 58 -10.020 -1.978 -5.147 1.00 41.31 C ATOM 0 H PHE A 58 -11.300 -7.287 -6.047 1.00 23.53 H new ATOM 0 HA PHE A 58 -9.499 -6.778 -3.868 1.00 11.22 H new ATOM 0 HB2 PHE A 58 -12.351 -6.120 -4.616 1.00 43.32 H new ATOM 0 HB3 PHE A 58 -11.807 -5.851 -2.972 1.00 43.32 H new ATOM 0 HD1 PHE A 58 -10.027 -5.203 -6.262 1.00 74.51 H new ATOM 0 HD2 PHE A 58 -11.731 -3.567 -2.663 1.00 33.51 H new ATOM 0 HE1 PHE A 58 -9.215 -2.949 -6.894 1.00 73.24 H new ATOM 0 HE2 PHE A 58 -10.951 -1.311 -3.324 1.00 34.43 H new ATOM 0 HZ PHE A 58 -9.665 -0.997 -5.425 1.00 41.31 H new ATOM 870 N LYS A 59 -10.778 -7.947 -1.863 1.00 54.15 N ATOM 871 CA LYS A 59 -11.457 -8.642 -0.777 1.00 65.13 C ATOM 872 C LYS A 59 -11.959 -7.612 0.231 1.00 5.44 C ATOM 873 O LYS A 59 -11.690 -6.418 0.078 1.00 42.03 O ATOM 874 CB LYS A 59 -10.517 -9.689 -0.155 1.00 73.25 C ATOM 875 CG LYS A 59 -9.342 -9.099 0.656 1.00 34.34 C ATOM 876 CD LYS A 59 -9.290 -9.635 2.097 1.00 22.50 C ATOM 877 CE LYS A 59 -8.563 -10.985 2.190 1.00 3.24 C ATOM 878 NZ LYS A 59 -8.546 -11.525 3.568 1.00 25.41 N ATOM 0 H LYS A 59 -10.167 -7.201 -1.529 1.00 54.15 H new ATOM 0 HA LYS A 59 -12.324 -9.188 -1.148 1.00 65.13 H new ATOM 0 HB2 LYS A 59 -11.100 -10.340 0.497 1.00 73.25 H new ATOM 0 HB3 LYS A 59 -10.114 -10.314 -0.951 1.00 73.25 H new ATOM 0 HG2 LYS A 59 -8.404 -9.332 0.152 1.00 34.34 H new ATOM 0 HG3 LYS A 59 -9.430 -8.013 0.679 1.00 34.34 H new ATOM 0 HD2 LYS A 59 -8.786 -8.909 2.735 1.00 22.50 H new ATOM 0 HD3 LYS A 59 -10.305 -9.744 2.479 1.00 22.50 H new ATOM 0 HE2 LYS A 59 -9.049 -11.702 1.528 1.00 3.24 H new ATOM 0 HE3 LYS A 59 -7.539 -10.868 1.836 1.00 3.24 H new ATOM 0 HZ1 LYS A 59 -8.045 -12.436 3.578 1.00 25.41 H new ATOM 0 HZ2 LYS A 59 -8.059 -10.855 4.197 1.00 25.41 H new ATOM 0 HZ3 LYS A 59 -9.522 -11.664 3.899 1.00 25.41 H new ATOM 892 N GLU A 60 -12.684 -8.090 1.238 1.00 1.45 N ATOM 893 CA GLU A 60 -13.273 -7.270 2.284 1.00 30.12 C ATOM 894 C GLU A 60 -12.206 -6.834 3.298 1.00 12.41 C ATOM 895 O GLU A 60 -11.051 -7.262 3.229 1.00 3.02 O ATOM 896 CB GLU A 60 -14.412 -8.060 2.957 1.00 14.13 C ATOM 897 CG GLU A 60 -15.815 -7.605 2.583 1.00 31.45 C ATOM 898 CD GLU A 60 -16.394 -6.621 3.612 1.00 61.34 C ATOM 899 OE1 GLU A 60 -16.793 -7.062 4.711 1.00 10.01 O ATOM 900 OE2 GLU A 60 -16.396 -5.390 3.351 1.00 51.00 O ATOM 0 H GLU A 60 -12.881 -9.085 1.349 1.00 1.45 H new ATOM 0 HA GLU A 60 -13.687 -6.360 1.850 1.00 30.12 H new ATOM 0 HB2 GLU A 60 -14.306 -9.113 2.698 1.00 14.13 H new ATOM 0 HB3 GLU A 60 -14.297 -7.985 4.038 1.00 14.13 H new ATOM 0 HG2 GLU A 60 -15.793 -7.132 1.601 1.00 31.45 H new ATOM 0 HG3 GLU A 60 -16.469 -8.473 2.504 1.00 31.45 H new ATOM 907 N ASN A 61 -12.602 -6.016 4.275 1.00 1.22 N ATOM 908 CA ASN A 61 -11.744 -5.512 5.343 1.00 71.34 C ATOM 909 C ASN A 61 -12.317 -5.905 6.702 1.00 65.10 C ATOM 910 O ASN A 61 -13.519 -5.745 6.937 1.00 1.44 O ATOM 911 CB ASN A 61 -11.655 -3.990 5.238 1.00 70.52 C ATOM 912 CG ASN A 61 -10.811 -3.434 6.371 1.00 62.54 C ATOM 913 OD1 ASN A 61 -11.280 -3.225 7.481 1.00 13.05 O ATOM 914 ND2 ASN A 61 -9.521 -3.289 6.144 1.00 70.41 N ATOM 0 H ASN A 61 -13.561 -5.676 4.345 1.00 1.22 H new ATOM 0 HA ASN A 61 -10.748 -5.945 5.244 1.00 71.34 H new ATOM 0 HB2 ASN A 61 -11.220 -3.709 4.279 1.00 70.52 H new ATOM 0 HB3 ASN A 61 -12.655 -3.557 5.273 1.00 70.52 H new ATOM 0 HD21 ASN A 61 -8.900 -2.999 6.899 1.00 70.41 H new ATOM 0 HD22 ASN A 61 -9.144 -3.467 5.213 1.00 70.41 H new ATOM 921 N THR A 62 -11.454 -6.379 7.603 1.00 24.51 N ATOM 922 CA THR A 62 -11.811 -6.746 8.970 1.00 50.13 C ATOM 923 C THR A 62 -11.052 -5.951 10.038 1.00 51.14 C ATOM 924 O THR A 62 -11.394 -6.059 11.218 1.00 44.32 O ATOM 925 CB THR A 62 -11.712 -8.272 9.145 1.00 44.21 C ATOM 926 OG1 THR A 62 -12.202 -8.675 10.411 1.00 42.34 O ATOM 927 CG2 THR A 62 -10.280 -8.777 8.989 1.00 13.42 C ATOM 0 H THR A 62 -10.466 -6.521 7.395 1.00 24.51 H new ATOM 0 HA THR A 62 -12.850 -6.460 9.133 1.00 50.13 H new ATOM 0 HB THR A 62 -12.325 -8.709 8.357 1.00 44.21 H new ATOM 0 HG1 THR A 62 -12.114 -7.934 11.047 1.00 42.34 H new ATOM 0 HG21 THR A 62 -10.259 -9.859 9.121 1.00 13.42 H new ATOM 0 HG22 THR A 62 -9.912 -8.525 7.994 1.00 13.42 H new ATOM 0 HG23 THR A 62 -9.645 -8.308 9.740 1.00 13.42 H new ATOM 935 N SER A 63 -10.073 -5.142 9.649 1.00 2.42 N ATOM 936 CA SER A 63 -9.159 -4.468 10.564 1.00 22.43 C ATOM 937 C SER A 63 -8.639 -3.188 9.914 1.00 32.12 C ATOM 938 O SER A 63 -8.387 -3.180 8.705 1.00 30.42 O ATOM 939 CB SER A 63 -7.989 -5.415 10.858 1.00 73.52 C ATOM 940 OG SER A 63 -8.427 -6.564 11.556 1.00 1.42 O ATOM 0 H SER A 63 -9.889 -4.932 8.668 1.00 2.42 H new ATOM 0 HA SER A 63 -9.672 -4.209 11.490 1.00 22.43 H new ATOM 0 HB2 SER A 63 -7.514 -5.713 9.923 1.00 73.52 H new ATOM 0 HB3 SER A 63 -7.234 -4.894 11.447 1.00 73.52 H new ATOM 0 HG SER A 63 -7.663 -7.152 11.730 1.00 1.42 H new ATOM 946 N TYR A 64 -8.391 -2.137 10.702 1.00 44.33 N ATOM 947 CA TYR A 64 -8.061 -0.813 10.171 1.00 24.14 C ATOM 948 C TYR A 64 -6.587 -0.433 10.297 1.00 44.24 C ATOM 949 O TYR A 64 -6.153 0.442 9.547 1.00 51.42 O ATOM 950 CB TYR A 64 -8.988 0.244 10.803 1.00 53.42 C ATOM 951 CG TYR A 64 -10.435 0.255 10.324 1.00 30.20 C ATOM 952 CD1 TYR A 64 -10.781 -0.091 9.002 1.00 73.51 C ATOM 953 CD2 TYR A 64 -11.459 0.634 11.212 1.00 51.40 C ATOM 954 CE1 TYR A 64 -12.116 -0.071 8.572 1.00 42.13 C ATOM 955 CE2 TYR A 64 -12.803 0.639 10.794 1.00 21.22 C ATOM 956 CZ TYR A 64 -13.141 0.300 9.469 1.00 50.41 C ATOM 957 OH TYR A 64 -14.441 0.357 9.068 1.00 33.24 O ATOM 0 H TYR A 64 -8.413 -2.181 11.721 1.00 44.33 H new ATOM 0 HA TYR A 64 -8.235 -0.851 9.096 1.00 24.14 H new ATOM 0 HB2 TYR A 64 -8.988 0.096 11.883 1.00 53.42 H new ATOM 0 HB3 TYR A 64 -8.560 1.229 10.616 1.00 53.42 H new ATOM 0 HD1 TYR A 64 -10.004 -0.377 8.308 1.00 73.51 H new ATOM 0 HD2 TYR A 64 -11.211 0.923 12.223 1.00 51.40 H new ATOM 0 HE1 TYR A 64 -12.360 -0.339 7.555 1.00 42.13 H new ATOM 0 HE2 TYR A 64 -13.581 0.905 11.494 1.00 21.22 H new ATOM 0 HH TYR A 64 -15.004 0.630 9.822 1.00 33.24 H new ATOM 967 N LYS A 65 -5.782 -1.045 11.180 1.00 62.35 N ATOM 968 CA LYS A 65 -4.354 -0.705 11.277 1.00 13.14 C ATOM 969 C LYS A 65 -3.407 -1.882 11.078 1.00 74.14 C ATOM 970 O LYS A 65 -2.207 -1.644 10.951 1.00 11.14 O ATOM 971 CB LYS A 65 -4.038 0.060 12.568 1.00 72.34 C ATOM 972 CG LYS A 65 -4.540 1.506 12.499 1.00 31.53 C ATOM 973 CD LYS A 65 -4.181 2.237 13.794 1.00 61.25 C ATOM 974 CE LYS A 65 -4.706 3.671 13.730 1.00 11.44 C ATOM 975 NZ LYS A 65 -4.036 4.565 14.698 1.00 22.24 N ATOM 0 H LYS A 65 -6.090 -1.769 11.829 1.00 62.35 H new ATOM 0 HA LYS A 65 -4.166 -0.043 10.431 1.00 13.14 H new ATOM 0 HB2 LYS A 65 -4.500 -0.447 13.415 1.00 72.34 H new ATOM 0 HB3 LYS A 65 -2.962 0.055 12.741 1.00 72.34 H new ATOM 0 HG2 LYS A 65 -4.093 2.016 11.646 1.00 31.53 H new ATOM 0 HG3 LYS A 65 -5.620 1.520 12.349 1.00 31.53 H new ATOM 0 HD2 LYS A 65 -4.613 1.718 14.649 1.00 61.25 H new ATOM 0 HD3 LYS A 65 -3.100 2.240 13.935 1.00 61.25 H new ATOM 0 HE2 LYS A 65 -4.564 4.061 12.722 1.00 11.44 H new ATOM 0 HE3 LYS A 65 -5.779 3.670 13.924 1.00 11.44 H new ATOM 0 HZ1 LYS A 65 -4.428 5.524 14.614 1.00 22.24 H new ATOM 0 HZ2 LYS A 65 -4.192 4.211 15.663 1.00 22.24 H new ATOM 0 HZ3 LYS A 65 -3.016 4.590 14.499 1.00 22.24 H new ATOM 989 N GLU A 66 -3.885 -3.106 10.908 1.00 13.30 N ATOM 990 CA GLU A 66 -3.057 -4.220 10.460 1.00 1.31 C ATOM 991 C GLU A 66 -3.890 -5.057 9.512 1.00 61.52 C ATOM 992 O GLU A 66 -5.097 -5.216 9.715 1.00 44.21 O ATOM 993 CB GLU A 66 -2.569 -5.004 11.699 1.00 51.35 C ATOM 994 CG GLU A 66 -1.945 -6.383 11.412 1.00 31.22 C ATOM 995 CD GLU A 66 -1.457 -7.092 12.683 1.00 65.53 C ATOM 996 OE1 GLU A 66 -2.144 -7.059 13.732 1.00 65.21 O ATOM 997 OE2 GLU A 66 -0.375 -7.729 12.643 1.00 31.51 O ATOM 0 H GLU A 66 -4.859 -3.357 11.077 1.00 13.30 H new ATOM 0 HA GLU A 66 -2.167 -3.891 9.924 1.00 1.31 H new ATOM 0 HB2 GLU A 66 -1.834 -4.395 12.225 1.00 51.35 H new ATOM 0 HB3 GLU A 66 -3.413 -5.141 12.375 1.00 51.35 H new ATOM 0 HG2 GLU A 66 -2.680 -7.012 10.910 1.00 31.22 H new ATOM 0 HG3 GLU A 66 -1.108 -6.262 10.725 1.00 31.22 H new ATOM 1004 N PHE A 67 -3.270 -5.519 8.431 1.00 4.34 N ATOM 1005 CA PHE A 67 -3.888 -6.410 7.478 1.00 72.14 C ATOM 1006 C PHE A 67 -2.875 -7.493 7.162 1.00 34.24 C ATOM 1007 O PHE A 67 -1.782 -7.214 6.663 1.00 33.20 O ATOM 1008 CB PHE A 67 -4.358 -5.670 6.220 1.00 31.51 C ATOM 1009 CG PHE A 67 -4.926 -6.644 5.211 1.00 42.04 C ATOM 1010 CD1 PHE A 67 -6.280 -7.021 5.281 1.00 25.10 C ATOM 1011 CD2 PHE A 67 -4.066 -7.290 4.301 1.00 4.31 C ATOM 1012 CE1 PHE A 67 -6.764 -8.050 4.458 1.00 72.43 C ATOM 1013 CE2 PHE A 67 -4.548 -8.331 3.493 1.00 53.44 C ATOM 1014 CZ PHE A 67 -5.899 -8.708 3.564 1.00 1.01 C ATOM 0 H PHE A 67 -2.308 -5.276 8.196 1.00 4.34 H new ATOM 0 HA PHE A 67 -4.791 -6.851 7.900 1.00 72.14 H new ATOM 0 HB2 PHE A 67 -5.114 -4.932 6.487 1.00 31.51 H new ATOM 0 HB3 PHE A 67 -3.523 -5.126 5.778 1.00 31.51 H new ATOM 0 HD1 PHE A 67 -6.946 -6.519 5.967 1.00 25.10 H new ATOM 0 HD2 PHE A 67 -3.033 -6.983 4.225 1.00 4.31 H new ATOM 0 HE1 PHE A 67 -7.804 -8.338 4.511 1.00 72.43 H new ATOM 0 HE2 PHE A 67 -3.880 -8.843 2.816 1.00 53.44 H new ATOM 0 HZ PHE A 67 -6.273 -9.501 2.934 1.00 1.01 H new ATOM 1024 N ASP A 68 -3.245 -8.729 7.460 1.00 73.25 N ATOM 1025 CA ASP A 68 -2.514 -9.940 7.159 1.00 45.35 C ATOM 1026 C ASP A 68 -3.184 -10.639 5.981 1.00 63.52 C ATOM 1027 O ASP A 68 -4.375 -10.931 5.997 1.00 52.34 O ATOM 1028 CB ASP A 68 -2.392 -10.839 8.403 1.00 43.15 C ATOM 1029 CG ASP A 68 -3.686 -11.142 9.176 1.00 44.02 C ATOM 1030 OD1 ASP A 68 -4.798 -10.718 8.780 1.00 33.33 O ATOM 1031 OD2 ASP A 68 -3.615 -11.780 10.247 1.00 71.53 O ATOM 0 H ASP A 68 -4.119 -8.920 7.949 1.00 73.25 H new ATOM 0 HA ASP A 68 -1.491 -9.698 6.871 1.00 45.35 H new ATOM 0 HB2 ASP A 68 -1.953 -11.787 8.094 1.00 43.15 H new ATOM 0 HB3 ASP A 68 -1.688 -10.371 9.091 1.00 43.15 H new ATOM 1036 N GLY A 69 -2.411 -10.884 4.928 1.00 50.21 N ATOM 1037 CA GLY A 69 -2.819 -11.559 3.704 1.00 22.24 C ATOM 1038 C GLY A 69 -2.090 -12.889 3.546 1.00 3.43 C ATOM 1039 O GLY A 69 -1.912 -13.358 2.422 1.00 41.45 O ATOM 0 H GLY A 69 -1.431 -10.601 4.906 1.00 50.21 H new ATOM 0 HA2 GLY A 69 -3.895 -11.730 3.720 1.00 22.24 H new ATOM 0 HA3 GLY A 69 -2.610 -10.921 2.845 1.00 22.24 H new ATOM 1043 N GLY A 70 -1.628 -13.498 4.642 1.00 12.44 N ATOM 1044 CA GLY A 70 -0.852 -14.724 4.617 1.00 5.22 C ATOM 1045 C GLY A 70 0.573 -14.397 4.197 1.00 24.54 C ATOM 1046 O GLY A 70 1.392 -14.050 5.044 1.00 64.42 O ATOM 0 H GLY A 70 -1.790 -13.140 5.583 1.00 12.44 H new ATOM 0 HA2 GLY A 70 -0.857 -15.193 5.601 1.00 5.22 H new ATOM 0 HA3 GLY A 70 -1.296 -15.437 3.922 1.00 5.22 H new ATOM 1050 N TRP A 71 0.873 -14.446 2.899 1.00 24.21 N ATOM 1051 CA TRP A 71 2.225 -14.197 2.392 1.00 42.31 C ATOM 1052 C TRP A 71 2.626 -12.709 2.406 1.00 5.44 C ATOM 1053 O TRP A 71 3.726 -12.361 1.974 1.00 45.25 O ATOM 1054 CB TRP A 71 2.382 -14.824 0.998 1.00 5.24 C ATOM 1055 CG TRP A 71 1.499 -14.342 -0.122 1.00 51.12 C ATOM 1056 CD1 TRP A 71 0.297 -14.871 -0.449 1.00 71.24 C ATOM 1057 CD2 TRP A 71 1.779 -13.336 -1.150 1.00 31.52 C ATOM 1058 NE1 TRP A 71 -0.180 -14.274 -1.602 1.00 25.33 N ATOM 1059 CE2 TRP A 71 0.718 -13.360 -2.101 1.00 24.41 C ATOM 1060 CE3 TRP A 71 2.826 -12.426 -1.403 1.00 25.41 C ATOM 1061 CZ2 TRP A 71 0.701 -12.545 -3.241 1.00 72.15 C ATOM 1062 CZ3 TRP A 71 2.821 -11.599 -2.544 1.00 25.30 C ATOM 1063 CH2 TRP A 71 1.768 -11.666 -3.468 1.00 62.51 C ATOM 0 H TRP A 71 0.190 -14.658 2.172 1.00 24.21 H new ATOM 0 HA TRP A 71 2.921 -14.679 3.078 1.00 42.31 H new ATOM 0 HB2 TRP A 71 3.417 -14.680 0.687 1.00 5.24 H new ATOM 0 HB3 TRP A 71 2.227 -15.898 1.101 1.00 5.24 H new ATOM 0 HD1 TRP A 71 -0.213 -15.644 0.107 1.00 71.24 H new ATOM 0 HE1 TRP A 71 -1.083 -14.485 -2.028 1.00 25.33 H new ATOM 0 HE3 TRP A 71 3.650 -12.361 -0.707 1.00 25.41 H new ATOM 0 HZ2 TRP A 71 -0.124 -12.594 -3.936 1.00 72.15 H new ATOM 0 HZ3 TRP A 71 3.635 -10.908 -2.708 1.00 25.30 H new ATOM 0 HH2 TRP A 71 1.780 -11.043 -4.350 1.00 62.51 H new ATOM 1074 N TYR A 72 1.767 -11.812 2.892 1.00 62.13 N ATOM 1075 CA TYR A 72 1.846 -10.373 2.707 1.00 24.23 C ATOM 1076 C TYR A 72 1.286 -9.756 3.984 1.00 34.30 C ATOM 1077 O TYR A 72 0.221 -10.183 4.436 1.00 45.35 O ATOM 1078 CB TYR A 72 1.000 -10.038 1.470 1.00 50.35 C ATOM 1079 CG TYR A 72 0.860 -8.568 1.132 1.00 10.44 C ATOM 1080 CD1 TYR A 72 -0.161 -7.806 1.733 1.00 63.12 C ATOM 1081 CD2 TYR A 72 1.688 -7.988 0.152 1.00 71.45 C ATOM 1082 CE1 TYR A 72 -0.368 -6.474 1.337 1.00 22.41 C ATOM 1083 CE2 TYR A 72 1.508 -6.647 -0.225 1.00 11.24 C ATOM 1084 CZ TYR A 72 0.477 -5.888 0.368 1.00 14.24 C ATOM 1085 OH TYR A 72 0.287 -4.598 -0.011 1.00 41.12 O ATOM 0 H TYR A 72 0.960 -12.089 3.452 1.00 62.13 H new ATOM 0 HA TYR A 72 2.854 -9.992 2.542 1.00 24.23 H new ATOM 0 HB2 TYR A 72 1.435 -10.547 0.610 1.00 50.35 H new ATOM 0 HB3 TYR A 72 0.002 -10.452 1.615 1.00 50.35 H new ATOM 0 HD1 TYR A 72 -0.784 -8.245 2.498 1.00 63.12 H new ATOM 0 HD2 TYR A 72 2.465 -8.577 -0.312 1.00 71.45 H new ATOM 0 HE1 TYR A 72 -1.172 -5.899 1.773 1.00 22.41 H new ATOM 0 HE2 TYR A 72 2.155 -6.199 -0.965 1.00 11.24 H new ATOM 0 HH TYR A 72 0.965 -4.348 -0.673 1.00 41.12 H new ATOM 1095 N LEU A 73 1.981 -8.796 4.594 1.00 63.45 N ATOM 1096 CA LEU A 73 1.628 -8.238 5.897 1.00 71.52 C ATOM 1097 C LEU A 73 1.752 -6.726 5.864 1.00 12.22 C ATOM 1098 O LEU A 73 2.732 -6.188 5.341 1.00 21.20 O ATOM 1099 CB LEU A 73 2.559 -8.805 6.994 1.00 54.24 C ATOM 1100 CG LEU A 73 1.836 -9.422 8.201 1.00 61.25 C ATOM 1101 CD1 LEU A 73 0.795 -8.501 8.841 1.00 1.34 C ATOM 1102 CD2 LEU A 73 1.178 -10.737 7.785 1.00 53.21 C ATOM 0 H LEU A 73 2.819 -8.378 4.189 1.00 63.45 H new ATOM 0 HA LEU A 73 0.598 -8.514 6.124 1.00 71.52 H new ATOM 0 HB2 LEU A 73 3.202 -9.563 6.548 1.00 54.24 H new ATOM 0 HB3 LEU A 73 3.208 -8.004 7.348 1.00 54.24 H new ATOM 0 HG LEU A 73 2.598 -9.592 8.962 1.00 61.25 H new ATOM 0 HD11 LEU A 73 0.330 -9.009 9.685 1.00 1.34 H new ATOM 0 HD12 LEU A 73 1.281 -7.589 9.189 1.00 1.34 H new ATOM 0 HD13 LEU A 73 0.032 -8.247 8.105 1.00 1.34 H new ATOM 0 HD21 LEU A 73 0.665 -11.174 8.642 1.00 53.21 H new ATOM 0 HD22 LEU A 73 0.458 -10.548 6.989 1.00 53.21 H new ATOM 0 HD23 LEU A 73 1.941 -11.428 7.427 1.00 53.21 H new ATOM 1114 N VAL A 74 0.801 -6.033 6.481 1.00 44.01 N ATOM 1115 CA VAL A 74 0.677 -4.584 6.481 1.00 71.45 C ATOM 1116 C VAL A 74 0.390 -4.140 7.908 1.00 42.42 C ATOM 1117 O VAL A 74 -0.451 -4.751 8.567 1.00 43.14 O ATOM 1118 CB VAL A 74 -0.447 -4.158 5.515 1.00 51.42 C ATOM 1119 CG1 VAL A 74 -0.329 -2.663 5.231 1.00 70.35 C ATOM 1120 CG2 VAL A 74 -0.423 -4.892 4.167 1.00 22.52 C ATOM 0 H VAL A 74 0.063 -6.489 7.018 1.00 44.01 H new ATOM 0 HA VAL A 74 1.597 -4.111 6.137 1.00 71.45 H new ATOM 0 HB VAL A 74 -1.382 -4.414 6.013 1.00 51.42 H new ATOM 0 HG11 VAL A 74 -1.122 -2.359 4.548 1.00 70.35 H new ATOM 0 HG12 VAL A 74 -0.420 -2.107 6.164 1.00 70.35 H new ATOM 0 HG13 VAL A 74 0.640 -2.454 4.777 1.00 70.35 H new ATOM 0 HG21 VAL A 74 -1.244 -4.537 3.545 1.00 22.52 H new ATOM 0 HG22 VAL A 74 0.524 -4.698 3.664 1.00 22.52 H new ATOM 0 HG23 VAL A 74 -0.532 -5.964 4.334 1.00 22.52 H new ATOM 1130 N LYS A 75 1.105 -3.118 8.392 1.00 34.22 N ATOM 1131 CA LYS A 75 0.937 -2.535 9.720 1.00 72.53 C ATOM 1132 C LYS A 75 1.086 -1.028 9.594 1.00 64.33 C ATOM 1133 O LYS A 75 2.092 -0.552 9.067 1.00 13.42 O ATOM 1134 CB LYS A 75 1.987 -3.094 10.687 1.00 34.20 C ATOM 1135 CG LYS A 75 1.571 -4.455 11.270 1.00 31.42 C ATOM 1136 CD LYS A 75 2.788 -5.331 11.570 1.00 44.04 C ATOM 1137 CE LYS A 75 3.401 -5.873 10.268 1.00 62.53 C ATOM 1138 NZ LYS A 75 4.872 -5.956 10.334 1.00 54.44 N ATOM 0 H LYS A 75 1.839 -2.662 7.850 1.00 34.22 H new ATOM 0 HA LYS A 75 -0.047 -2.785 10.116 1.00 72.53 H new ATOM 0 HB2 LYS A 75 2.939 -3.199 10.167 1.00 34.20 H new ATOM 0 HB3 LYS A 75 2.145 -2.385 11.500 1.00 34.20 H new ATOM 0 HG2 LYS A 75 0.998 -4.301 12.184 1.00 31.42 H new ATOM 0 HG3 LYS A 75 0.916 -4.969 10.566 1.00 31.42 H new ATOM 0 HD2 LYS A 75 3.533 -4.752 12.116 1.00 44.04 H new ATOM 0 HD3 LYS A 75 2.495 -6.161 12.213 1.00 44.04 H new ATOM 0 HE2 LYS A 75 2.992 -6.862 10.061 1.00 62.53 H new ATOM 0 HE3 LYS A 75 3.113 -5.229 9.437 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 5.207 -6.703 9.692 1.00 54.44 H new ATOM 0 HZ2 LYS A 75 5.284 -5.045 10.049 1.00 54.44 H new ATOM 0 HZ3 LYS A 75 5.164 -6.179 11.307 1.00 54.44 H new ATOM 1152 N ILE A 76 0.090 -0.302 10.084 1.00 11.22 N ATOM 1153 CA ILE A 76 0.032 1.144 10.244 1.00 73.55 C ATOM 1154 C ILE A 76 0.312 1.355 11.727 1.00 1.21 C ATOM 1155 O ILE A 76 -0.520 1.005 12.570 1.00 33.14 O ATOM 1156 CB ILE A 76 -1.367 1.686 9.832 1.00 23.52 C ATOM 1157 CG1 ILE A 76 -1.588 1.571 8.311 1.00 33.42 C ATOM 1158 CG2 ILE A 76 -1.584 3.150 10.253 1.00 21.24 C ATOM 1159 CD1 ILE A 76 -2.991 1.950 7.837 1.00 62.31 C ATOM 0 H ILE A 76 -0.769 -0.747 10.406 1.00 11.22 H new ATOM 0 HA ILE A 76 0.744 1.677 9.614 1.00 73.55 H new ATOM 0 HB ILE A 76 -2.090 1.064 10.360 1.00 23.52 H new ATOM 0 HG12 ILE A 76 -0.864 2.208 7.804 1.00 33.42 H new ATOM 0 HG13 ILE A 76 -1.381 0.546 8.004 1.00 33.42 H new ATOM 0 HG21 ILE A 76 -2.576 3.475 9.940 1.00 21.24 H new ATOM 0 HG22 ILE A 76 -1.500 3.233 11.337 1.00 21.24 H new ATOM 0 HG23 ILE A 76 -0.830 3.780 9.781 1.00 21.24 H new ATOM 0 HD11 ILE A 76 -3.052 1.838 6.754 1.00 62.31 H new ATOM 0 HD12 ILE A 76 -3.724 1.297 8.311 1.00 62.31 H new ATOM 0 HD13 ILE A 76 -3.199 2.985 8.107 1.00 62.31 H new ATOM 1171 N GLU A 77 1.472 1.915 12.062 1.00 73.45 N ATOM 1172 CA GLU A 77 1.796 2.353 13.409 1.00 23.44 C ATOM 1173 C GLU A 77 2.281 3.784 13.318 1.00 43.03 C ATOM 1174 O GLU A 77 2.924 4.122 12.333 1.00 4.34 O ATOM 1175 CB GLU A 77 2.888 1.460 14.000 1.00 3.14 C ATOM 1176 CG GLU A 77 2.312 0.134 14.493 1.00 64.33 C ATOM 1177 CD GLU A 77 1.522 0.311 15.797 1.00 71.44 C ATOM 1178 OE1 GLU A 77 0.356 0.778 15.763 1.00 42.43 O ATOM 1179 OE2 GLU A 77 2.059 -0.090 16.848 1.00 73.53 O ATOM 0 H GLU A 77 2.223 2.078 11.391 1.00 73.45 H new ATOM 0 HA GLU A 77 0.922 2.288 14.056 1.00 23.44 H new ATOM 0 HB2 GLU A 77 3.653 1.270 13.247 1.00 3.14 H new ATOM 0 HB3 GLU A 77 3.376 1.977 14.826 1.00 3.14 H new ATOM 0 HG2 GLU A 77 1.661 -0.288 13.727 1.00 64.33 H new ATOM 0 HG3 GLU A 77 3.122 -0.579 14.651 1.00 64.33 H new ATOM 1186 N ASP A 78 1.953 4.598 14.316 1.00 51.23 N ATOM 1187 CA ASP A 78 2.283 6.009 14.483 1.00 11.00 C ATOM 1188 C ASP A 78 2.094 6.855 13.222 1.00 61.14 C ATOM 1189 O ASP A 78 1.094 7.557 13.111 1.00 43.42 O ATOM 1190 CB ASP A 78 3.667 6.166 15.104 1.00 53.42 C ATOM 1191 CG ASP A 78 3.807 7.569 15.683 1.00 32.54 C ATOM 1192 OD1 ASP A 78 4.133 8.525 14.940 1.00 1.14 O ATOM 1193 OD2 ASP A 78 3.563 7.728 16.898 1.00 74.23 O ATOM 0 H ASP A 78 1.398 4.255 15.100 1.00 51.23 H new ATOM 0 HA ASP A 78 1.551 6.418 15.180 1.00 11.00 H new ATOM 0 HB2 ASP A 78 3.813 5.422 15.887 1.00 53.42 H new ATOM 0 HB3 ASP A 78 4.437 5.993 14.352 1.00 53.42 H new ATOM 1198 N ASN A 79 3.052 6.811 12.295 1.00 63.13 N ATOM 1199 CA ASN A 79 3.044 7.456 10.987 1.00 1.32 C ATOM 1200 C ASN A 79 3.956 6.730 9.986 1.00 54.03 C ATOM 1201 O ASN A 79 4.375 7.316 8.982 1.00 63.11 O ATOM 1202 CB ASN A 79 3.477 8.912 11.128 1.00 22.23 C ATOM 1203 CG ASN A 79 4.960 9.065 11.405 1.00 33.32 C ATOM 1204 OD1 ASN A 79 5.559 8.364 12.219 1.00 70.53 O ATOM 1205 ND2 ASN A 79 5.589 10.019 10.753 1.00 2.42 N ATOM 0 H ASN A 79 3.913 6.286 12.452 1.00 63.13 H new ATOM 0 HA ASN A 79 2.027 7.410 10.598 1.00 1.32 H new ATOM 0 HB2 ASN A 79 3.226 9.450 10.214 1.00 22.23 H new ATOM 0 HB3 ASN A 79 2.912 9.377 11.936 1.00 22.23 H new ATOM 0 HD21 ASN A 79 6.582 10.182 10.921 1.00 2.42 H new ATOM 0 HD22 ASN A 79 5.084 10.595 10.080 1.00 2.42 H new ATOM 1212 N GLU A 80 4.298 5.473 10.257 1.00 14.21 N ATOM 1213 CA GLU A 80 5.145 4.633 9.439 1.00 34.22 C ATOM 1214 C GLU A 80 4.352 3.370 9.109 1.00 33.24 C ATOM 1215 O GLU A 80 4.315 2.417 9.892 1.00 70.21 O ATOM 1216 CB GLU A 80 6.462 4.349 10.180 1.00 50.43 C ATOM 1217 CG GLU A 80 7.388 5.579 10.203 1.00 14.10 C ATOM 1218 CD GLU A 80 8.751 5.266 10.826 1.00 73.41 C ATOM 1219 OE1 GLU A 80 8.838 5.094 12.063 1.00 12.24 O ATOM 1220 OE2 GLU A 80 9.747 5.179 10.081 1.00 44.13 O ATOM 0 H GLU A 80 3.971 4.996 11.097 1.00 14.21 H new ATOM 0 HA GLU A 80 5.424 5.118 8.504 1.00 34.22 H new ATOM 0 HB2 GLU A 80 6.243 4.041 11.202 1.00 50.43 H new ATOM 0 HB3 GLU A 80 6.976 3.517 9.699 1.00 50.43 H new ATOM 0 HG2 GLU A 80 7.531 5.943 9.186 1.00 14.10 H new ATOM 0 HG3 GLU A 80 6.909 6.381 10.765 1.00 14.10 H new ATOM 1227 N LEU A 81 3.677 3.390 7.957 1.00 1.40 N ATOM 1228 CA LEU A 81 3.088 2.207 7.350 1.00 30.21 C ATOM 1229 C LEU A 81 4.225 1.386 6.768 1.00 73.25 C ATOM 1230 O LEU A 81 5.152 1.930 6.161 1.00 64.44 O ATOM 1231 CB LEU A 81 2.040 2.616 6.300 1.00 5.30 C ATOM 1232 CG LEU A 81 1.360 1.531 5.446 1.00 63.41 C ATOM 1233 CD1 LEU A 81 2.155 1.074 4.221 1.00 21.50 C ATOM 1234 CD2 LEU A 81 0.907 0.318 6.245 1.00 34.20 C ATOM 0 H LEU A 81 3.526 4.242 7.417 1.00 1.40 H new ATOM 0 HA LEU A 81 2.555 1.600 8.081 1.00 30.21 H new ATOM 0 HB2 LEU A 81 1.254 3.163 6.819 1.00 5.30 H new ATOM 0 HB3 LEU A 81 2.519 3.317 5.617 1.00 5.30 H new ATOM 0 HG LEU A 81 0.477 2.051 5.074 1.00 63.41 H new ATOM 0 HD11 LEU A 81 1.592 0.309 3.686 1.00 21.50 H new ATOM 0 HD12 LEU A 81 2.328 1.925 3.562 1.00 21.50 H new ATOM 0 HD13 LEU A 81 3.112 0.662 4.541 1.00 21.50 H new ATOM 0 HD21 LEU A 81 0.437 -0.403 5.576 1.00 34.20 H new ATOM 0 HD22 LEU A 81 1.769 -0.142 6.728 1.00 34.20 H new ATOM 0 HD23 LEU A 81 0.190 0.630 7.004 1.00 34.20 H new ATOM 1246 N LYS A 82 4.184 0.076 6.976 1.00 41.31 N ATOM 1247 CA LYS A 82 5.222 -0.835 6.510 1.00 54.13 C ATOM 1248 C LYS A 82 4.520 -2.008 5.859 1.00 24.54 C ATOM 1249 O LYS A 82 3.500 -2.482 6.370 1.00 25.53 O ATOM 1250 CB LYS A 82 6.110 -1.280 7.684 1.00 70.13 C ATOM 1251 CG LYS A 82 6.713 -0.069 8.421 1.00 10.03 C ATOM 1252 CD LYS A 82 7.438 -0.452 9.710 1.00 53.03 C ATOM 1253 CE LYS A 82 7.455 0.760 10.649 1.00 24.51 C ATOM 1254 NZ LYS A 82 8.145 0.468 11.921 1.00 65.51 N ATOM 0 H LYS A 82 3.425 -0.387 7.476 1.00 41.31 H new ATOM 0 HA LYS A 82 5.882 -0.351 5.790 1.00 54.13 H new ATOM 0 HB2 LYS A 82 5.522 -1.877 8.381 1.00 70.13 H new ATOM 0 HB3 LYS A 82 6.912 -1.919 7.314 1.00 70.13 H new ATOM 0 HG2 LYS A 82 7.410 0.442 7.757 1.00 10.03 H new ATOM 0 HG3 LYS A 82 5.918 0.639 8.655 1.00 10.03 H new ATOM 0 HD2 LYS A 82 6.936 -1.293 10.189 1.00 53.03 H new ATOM 0 HD3 LYS A 82 8.456 -0.772 9.489 1.00 53.03 H new ATOM 0 HE2 LYS A 82 7.949 1.595 10.153 1.00 24.51 H new ATOM 0 HE3 LYS A 82 6.431 1.072 10.856 1.00 24.51 H new ATOM 0 HZ1 LYS A 82 8.133 1.315 12.525 1.00 65.51 H new ATOM 0 HZ2 LYS A 82 7.659 -0.312 12.408 1.00 65.51 H new ATOM 0 HZ3 LYS A 82 9.130 0.195 11.727 1.00 65.51 H new ATOM 1268 N VAL A 83 5.077 -2.494 4.758 1.00 12.23 N ATOM 1269 CA VAL A 83 4.614 -3.697 4.086 1.00 72.21 C ATOM 1270 C VAL A 83 5.798 -4.652 4.102 1.00 5.22 C ATOM 1271 O VAL A 83 6.944 -4.232 3.913 1.00 45.45 O ATOM 1272 CB VAL A 83 4.081 -3.385 2.672 1.00 72.54 C ATOM 1273 CG1 VAL A 83 3.579 -4.655 1.972 1.00 51.23 C ATOM 1274 CG2 VAL A 83 2.909 -2.400 2.736 1.00 71.14 C ATOM 0 H VAL A 83 5.876 -2.055 4.301 1.00 12.23 H new ATOM 0 HA VAL A 83 3.761 -4.153 4.589 1.00 72.21 H new ATOM 0 HB VAL A 83 4.912 -2.954 2.113 1.00 72.54 H new ATOM 0 HG11 VAL A 83 3.210 -4.401 0.978 1.00 51.23 H new ATOM 0 HG12 VAL A 83 4.397 -5.369 1.884 1.00 51.23 H new ATOM 0 HG13 VAL A 83 2.772 -5.098 2.556 1.00 51.23 H new ATOM 0 HG21 VAL A 83 2.550 -2.195 1.727 1.00 71.14 H new ATOM 0 HG22 VAL A 83 2.102 -2.833 3.327 1.00 71.14 H new ATOM 0 HG23 VAL A 83 3.240 -1.470 3.199 1.00 71.14 H new ATOM 1284 N ILE A 84 5.524 -5.918 4.404 1.00 41.34 N ATOM 1285 CA ILE A 84 6.473 -7.013 4.457 1.00 1.24 C ATOM 1286 C ILE A 84 5.867 -8.146 3.641 1.00 50.14 C ATOM 1287 O ILE A 84 4.692 -8.482 3.801 1.00 44.13 O ATOM 1288 CB ILE A 84 6.767 -7.348 5.935 1.00 42.15 C ATOM 1289 CG1 ILE A 84 7.707 -6.264 6.510 1.00 71.35 C ATOM 1290 CG2 ILE A 84 7.392 -8.740 6.087 1.00 52.12 C ATOM 1291 CD1 ILE A 84 7.715 -6.144 8.024 1.00 13.02 C ATOM 0 H ILE A 84 4.576 -6.219 4.631 1.00 41.34 H new ATOM 0 HA ILE A 84 7.445 -6.780 4.023 1.00 1.24 H new ATOM 0 HB ILE A 84 5.828 -7.360 6.488 1.00 42.15 H new ATOM 0 HG12 ILE A 84 8.723 -6.473 6.174 1.00 71.35 H new ATOM 0 HG13 ILE A 84 7.423 -5.300 6.088 1.00 71.35 H new ATOM 0 HG21 ILE A 84 7.584 -8.939 7.141 1.00 52.12 H new ATOM 0 HG22 ILE A 84 6.707 -9.491 5.695 1.00 52.12 H new ATOM 0 HG23 ILE A 84 8.330 -8.780 5.533 1.00 52.12 H new ATOM 0 HD11 ILE A 84 8.406 -5.356 8.323 1.00 13.02 H new ATOM 0 HD12 ILE A 84 6.712 -5.900 8.375 1.00 13.02 H new ATOM 0 HD13 ILE A 84 8.032 -7.090 8.462 1.00 13.02 H new ATOM 1303 N ILE A 85 6.650 -8.708 2.719 1.00 63.33 N ATOM 1304 CA ILE A 85 6.159 -9.645 1.714 1.00 4.02 C ATOM 1305 C ILE A 85 7.107 -10.839 1.692 1.00 50.03 C ATOM 1306 O ILE A 85 8.325 -10.657 1.662 1.00 24.54 O ATOM 1307 CB ILE A 85 6.023 -8.957 0.335 1.00 21.20 C ATOM 1308 CG1 ILE A 85 5.315 -7.587 0.450 1.00 30.42 C ATOM 1309 CG2 ILE A 85 5.239 -9.889 -0.600 1.00 62.51 C ATOM 1310 CD1 ILE A 85 5.171 -6.817 -0.862 1.00 33.20 C ATOM 0 H ILE A 85 7.651 -8.523 2.650 1.00 63.33 H new ATOM 0 HA ILE A 85 5.157 -9.995 1.964 1.00 4.02 H new ATOM 0 HB ILE A 85 7.018 -8.770 -0.068 1.00 21.20 H new ATOM 0 HG12 ILE A 85 4.322 -7.743 0.872 1.00 30.42 H new ATOM 0 HG13 ILE A 85 5.868 -6.968 1.157 1.00 30.42 H new ATOM 0 HG21 ILE A 85 5.134 -9.419 -1.578 1.00 62.51 H new ATOM 0 HG22 ILE A 85 5.775 -10.832 -0.707 1.00 62.51 H new ATOM 0 HG23 ILE A 85 4.251 -10.078 -0.180 1.00 62.51 H new ATOM 0 HD11 ILE A 85 4.662 -5.871 -0.675 1.00 33.20 H new ATOM 0 HD12 ILE A 85 6.159 -6.621 -1.279 1.00 33.20 H new ATOM 0 HD13 ILE A 85 4.589 -7.408 -1.569 1.00 33.20 H new ATOM 1322 N ASN A 86 6.537 -12.043 1.760 1.00 43.41 N ATOM 1323 CA ASN A 86 7.270 -13.303 1.819 1.00 53.44 C ATOM 1324 C ASN A 86 7.601 -13.782 0.419 1.00 71.52 C ATOM 1325 O ASN A 86 7.015 -13.342 -0.574 1.00 44.24 O ATOM 1326 CB ASN A 86 6.437 -14.401 2.513 1.00 73.12 C ATOM 1327 CG ASN A 86 6.441 -14.264 4.019 1.00 34.43 C ATOM 1328 OD1 ASN A 86 6.986 -15.094 4.739 1.00 32.14 O ATOM 1329 ND2 ASN A 86 5.841 -13.209 4.528 1.00 64.14 N ATOM 0 H ASN A 86 5.525 -12.169 1.776 1.00 43.41 H new ATOM 0 HA ASN A 86 8.182 -13.122 2.388 1.00 53.44 H new ATOM 0 HB2 ASN A 86 5.410 -14.358 2.150 1.00 73.12 H new ATOM 0 HB3 ASN A 86 6.831 -15.380 2.239 1.00 73.12 H new ATOM 0 HD21 ASN A 86 5.824 -13.070 5.538 1.00 64.14 H new ATOM 0 HD22 ASN A 86 5.394 -12.530 3.912 1.00 64.14 H new ATOM 1336 N ARG A 87 8.446 -14.806 0.377 1.00 22.13 N ATOM 1337 CA ARG A 87 8.787 -15.534 -0.835 1.00 42.01 C ATOM 1338 C ARG A 87 7.552 -16.250 -1.371 1.00 42.44 C ATOM 1339 O ARG A 87 6.727 -16.730 -0.588 1.00 52.32 O ATOM 1340 CB ARG A 87 9.989 -16.444 -0.532 1.00 14.20 C ATOM 1341 CG ARG A 87 10.449 -17.277 -1.732 1.00 25.34 C ATOM 1342 CD ARG A 87 9.780 -18.658 -1.820 1.00 43.33 C ATOM 1343 NE ARG A 87 10.753 -19.752 -1.931 1.00 12.13 N ATOM 1344 CZ ARG A 87 11.438 -20.327 -0.938 1.00 51.34 C ATOM 1345 NH1 ARG A 87 11.379 -19.809 0.286 1.00 43.45 N ATOM 1346 NH2 ARG A 87 12.158 -21.416 -1.175 1.00 34.20 N ATOM 0 H ARG A 87 8.923 -15.160 1.206 1.00 22.13 H new ATOM 0 HA ARG A 87 9.099 -14.869 -1.640 1.00 42.01 H new ATOM 0 HB2 ARG A 87 10.821 -15.830 -0.187 1.00 14.20 H new ATOM 0 HB3 ARG A 87 9.728 -17.115 0.286 1.00 14.20 H new ATOM 0 HG2 ARG A 87 10.241 -16.724 -2.648 1.00 25.34 H new ATOM 0 HG3 ARG A 87 11.530 -17.410 -1.678 1.00 25.34 H new ATOM 0 HD2 ARG A 87 9.162 -18.815 -0.936 1.00 43.33 H new ATOM 0 HD3 ARG A 87 9.114 -18.680 -2.683 1.00 43.33 H new ATOM 0 HE ARG A 87 10.925 -20.113 -2.869 1.00 12.13 H new ATOM 0 HH11 ARG A 87 10.814 -18.978 0.462 1.00 43.45 H new ATOM 0 HH12 ARG A 87 11.899 -20.242 1.049 1.00 43.45 H new ATOM 0 HH21 ARG A 87 12.188 -21.813 -2.114 1.00 34.20 H new ATOM 0 HH22 ARG A 87 12.681 -21.856 -0.418 1.00 34.20 H new ATOM 1360 N ASN A 88 7.378 -16.278 -2.691 1.00 53.22 N ATOM 1361 CA ASN A 88 6.309 -16.998 -3.372 1.00 34.30 C ATOM 1362 C ASN A 88 6.834 -18.369 -3.760 1.00 72.44 C ATOM 1363 O ASN A 88 7.671 -18.476 -4.651 1.00 32.31 O ATOM 1364 CB ASN A 88 5.802 -16.249 -4.617 1.00 64.53 C ATOM 1365 CG ASN A 88 4.778 -17.081 -5.389 1.00 22.21 C ATOM 1366 OD1 ASN A 88 4.282 -18.108 -4.935 1.00 30.23 O ATOM 1367 ND2 ASN A 88 4.449 -16.681 -6.601 1.00 22.22 N ATOM 0 H ASN A 88 7.997 -15.784 -3.334 1.00 53.22 H new ATOM 0 HA ASN A 88 5.459 -17.086 -2.695 1.00 34.30 H new ATOM 0 HB2 ASN A 88 5.352 -15.303 -4.316 1.00 64.53 H new ATOM 0 HB3 ASN A 88 6.643 -16.010 -5.267 1.00 64.53 H new ATOM 0 HD21 ASN A 88 3.786 -17.224 -7.155 1.00 22.22 H new ATOM 0 HD22 ASN A 88 4.857 -15.829 -6.985 1.00 22.22 H new ATOM 1374 N GLU A 89 6.377 -19.412 -3.079 1.00 73.32 N ATOM 1375 CA GLU A 89 6.793 -20.793 -3.311 1.00 54.43 C ATOM 1376 C GLU A 89 6.010 -21.422 -4.483 1.00 42.15 C ATOM 1377 O GLU A 89 5.679 -22.614 -4.444 1.00 74.45 O ATOM 1378 CB GLU A 89 6.742 -21.577 -1.979 1.00 72.54 C ATOM 1379 CG GLU A 89 5.412 -21.439 -1.219 1.00 30.41 C ATOM 1380 CD GLU A 89 5.356 -22.237 0.085 1.00 71.54 C ATOM 1381 OE1 GLU A 89 6.268 -22.116 0.931 1.00 25.10 O ATOM 1382 OE2 GLU A 89 4.309 -22.902 0.302 1.00 2.42 O ATOM 0 H GLU A 89 5.690 -19.321 -2.331 1.00 73.32 H new ATOM 0 HA GLU A 89 7.832 -20.832 -3.639 1.00 54.43 H new ATOM 0 HB2 GLU A 89 6.923 -22.632 -2.184 1.00 72.54 H new ATOM 0 HB3 GLU A 89 7.553 -21.233 -1.336 1.00 72.54 H new ATOM 0 HG2 GLU A 89 5.240 -20.386 -0.996 1.00 30.41 H new ATOM 0 HG3 GLU A 89 4.599 -21.765 -1.868 1.00 30.41 H new ATOM 1389 N THR A 90 5.709 -20.650 -5.539 1.00 72.41 N ATOM 1390 CA THR A 90 5.130 -21.141 -6.785 1.00 12.11 C ATOM 1391 C THR A 90 5.840 -20.547 -7.996 1.00 74.54 C ATOM 1392 O THR A 90 6.488 -19.500 -7.938 1.00 2.32 O ATOM 1393 CB THR A 90 3.616 -20.858 -6.899 1.00 5.41 C ATOM 1394 OG1 THR A 90 3.337 -19.478 -6.962 1.00 50.25 O ATOM 1395 CG2 THR A 90 2.796 -21.480 -5.780 1.00 52.22 C ATOM 0 H THR A 90 5.868 -19.643 -5.543 1.00 72.41 H new ATOM 0 HA THR A 90 5.270 -22.222 -6.768 1.00 12.11 H new ATOM 0 HB THR A 90 3.319 -21.331 -7.835 1.00 5.41 H new ATOM 0 HG1 THR A 90 3.404 -19.089 -6.065 1.00 50.25 H new ATOM 0 HG21 THR A 90 1.743 -21.240 -5.924 1.00 52.22 H new ATOM 0 HG22 THR A 90 2.927 -22.562 -5.791 1.00 52.22 H new ATOM 0 HG23 THR A 90 3.130 -21.084 -4.821 1.00 52.22 H new ATOM 1403 N ASN A 91 5.594 -21.187 -9.135 1.00 4.00 N ATOM 1404 CA ASN A 91 5.941 -20.708 -10.466 1.00 45.24 C ATOM 1405 C ASN A 91 4.934 -19.690 -11.022 1.00 1.42 C ATOM 1406 O ASN A 91 5.060 -19.275 -12.175 1.00 71.11 O ATOM 1407 CB ASN A 91 6.122 -21.909 -11.397 1.00 25.13 C ATOM 1408 CG ASN A 91 4.796 -22.445 -11.890 1.00 3.32 C ATOM 1409 OD1 ASN A 91 4.224 -21.976 -12.868 1.00 73.24 O ATOM 1410 ND2 ASN A 91 4.254 -23.416 -11.189 1.00 72.15 N ATOM 0 H ASN A 91 5.127 -22.093 -9.155 1.00 4.00 H new ATOM 0 HA ASN A 91 6.881 -20.161 -10.397 1.00 45.24 H new ATOM 0 HB2 ASN A 91 6.736 -21.618 -12.250 1.00 25.13 H new ATOM 0 HB3 ASN A 91 6.660 -22.698 -10.871 1.00 25.13 H new ATOM 0 HD21 ASN A 91 3.344 -23.791 -11.456 1.00 72.15 H new ATOM 0 HD22 ASN A 91 4.744 -23.794 -10.378 1.00 72.15 H new ATOM 1417 N ALA A 92 3.960 -19.244 -10.221 1.00 45.31 N ATOM 1418 CA ALA A 92 2.842 -18.439 -10.694 1.00 41.24 C ATOM 1419 C ALA A 92 2.817 -17.081 -10.006 1.00 61.33 C ATOM 1420 O ALA A 92 2.739 -17.010 -8.776 1.00 10.40 O ATOM 1421 CB ALA A 92 1.520 -19.171 -10.521 1.00 23.11 C ATOM 0 H ALA A 92 3.931 -19.436 -9.220 1.00 45.31 H new ATOM 0 HA ALA A 92 2.984 -18.269 -11.761 1.00 41.24 H new ATOM 0 HB1 ALA A 92 0.706 -18.543 -10.884 1.00 23.11 H new ATOM 0 HB2 ALA A 92 1.542 -20.101 -11.089 1.00 23.11 H new ATOM 0 HB3 ALA A 92 1.363 -19.395 -9.466 1.00 23.11 H new ATOM 1427 N SER A 93 2.936 -16.025 -10.807 1.00 41.22 N ATOM 1428 CA SER A 93 2.960 -14.649 -10.400 1.00 30.20 C ATOM 1429 C SER A 93 1.605 -14.203 -9.878 1.00 30.52 C ATOM 1430 O SER A 93 0.592 -14.880 -10.058 1.00 4.31 O ATOM 1431 CB SER A 93 3.463 -13.825 -11.579 1.00 5.43 C ATOM 1432 OG SER A 93 2.497 -13.245 -12.439 1.00 10.34 O ATOM 0 H SER A 93 3.023 -16.129 -11.818 1.00 41.22 H new ATOM 0 HA SER A 93 3.640 -14.503 -9.561 1.00 30.20 H new ATOM 0 HB2 SER A 93 4.086 -13.022 -11.185 1.00 5.43 H new ATOM 0 HB3 SER A 93 4.109 -14.463 -12.182 1.00 5.43 H new ATOM 0 HG SER A 93 2.950 -12.744 -13.149 1.00 10.34 H new ATOM 1438 N ARG A 94 1.597 -13.051 -9.228 1.00 32.54 N ATOM 1439 CA ARG A 94 0.421 -12.536 -8.539 1.00 3.43 C ATOM 1440 C ARG A 94 0.643 -11.067 -8.226 1.00 32.34 C ATOM 1441 O ARG A 94 1.747 -10.550 -8.417 1.00 54.12 O ATOM 1442 CB ARG A 94 0.134 -13.402 -7.293 1.00 71.15 C ATOM 1443 CG ARG A 94 1.353 -13.702 -6.400 1.00 54.42 C ATOM 1444 CD ARG A 94 1.118 -14.898 -5.473 1.00 10.24 C ATOM 1445 NE ARG A 94 1.166 -16.169 -6.217 1.00 63.41 N ATOM 1446 CZ ARG A 94 0.449 -17.272 -5.975 1.00 31.22 C ATOM 1447 NH1 ARG A 94 -0.499 -17.296 -5.041 1.00 52.21 N ATOM 1448 NH2 ARG A 94 0.687 -18.357 -6.694 1.00 70.12 N ATOM 0 H ARG A 94 2.412 -12.441 -9.162 1.00 32.54 H new ATOM 0 HA ARG A 94 -0.469 -12.598 -9.165 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -0.622 -12.900 -6.689 1.00 71.15 H new ATOM 0 HB3 ARG A 94 -0.296 -14.348 -7.621 1.00 71.15 H new ATOM 0 HG2 ARG A 94 2.221 -13.899 -7.029 1.00 54.42 H new ATOM 0 HG3 ARG A 94 1.586 -12.822 -5.801 1.00 54.42 H new ATOM 0 HD2 ARG A 94 1.873 -14.905 -4.687 1.00 10.24 H new ATOM 0 HD3 ARG A 94 0.149 -14.797 -4.984 1.00 10.24 H new ATOM 0 HE ARG A 94 1.816 -16.212 -7.002 1.00 63.41 H new ATOM 0 HH11 ARG A 94 -0.693 -16.460 -4.490 1.00 52.21 H new ATOM 0 HH12 ARG A 94 -1.031 -18.150 -4.877 1.00 52.21 H new ATOM 0 HH21 ARG A 94 1.406 -18.342 -7.417 1.00 70.12 H new ATOM 0 HH22 ARG A 94 0.151 -19.208 -6.525 1.00 70.12 H new ATOM 1462 N SER A 95 -0.381 -10.341 -7.786 1.00 45.44 N ATOM 1463 CA SER A 95 -0.214 -8.932 -7.456 1.00 2.22 C ATOM 1464 C SER A 95 -1.187 -8.549 -6.344 1.00 44.05 C ATOM 1465 O SER A 95 -2.270 -9.130 -6.221 1.00 14.22 O ATOM 1466 CB SER A 95 -0.395 -8.049 -8.710 1.00 64.44 C ATOM 1467 OG SER A 95 -0.002 -8.692 -9.910 1.00 5.00 O ATOM 0 H SER A 95 -1.325 -10.702 -7.651 1.00 45.44 H new ATOM 0 HA SER A 95 0.800 -8.763 -7.094 1.00 2.22 H new ATOM 0 HB2 SER A 95 -1.441 -7.754 -8.790 1.00 64.44 H new ATOM 0 HB3 SER A 95 0.186 -7.135 -8.589 1.00 64.44 H new ATOM 0 HG SER A 95 -0.141 -8.085 -10.667 1.00 5.00 H new ATOM 1473 N PHE A 96 -0.783 -7.572 -5.537 1.00 50.01 N ATOM 1474 CA PHE A 96 -1.554 -7.037 -4.430 1.00 23.40 C ATOM 1475 C PHE A 96 -1.972 -5.609 -4.749 1.00 70.51 C ATOM 1476 O PHE A 96 -1.520 -4.997 -5.720 1.00 51.42 O ATOM 1477 CB PHE A 96 -0.733 -7.093 -3.128 1.00 45.32 C ATOM 1478 CG PHE A 96 -1.177 -8.172 -2.174 1.00 1.14 C ATOM 1479 CD1 PHE A 96 -0.725 -9.495 -2.327 1.00 63.21 C ATOM 1480 CD2 PHE A 96 -2.068 -7.844 -1.135 1.00 32.31 C ATOM 1481 CE1 PHE A 96 -1.203 -10.480 -1.439 1.00 45.35 C ATOM 1482 CE2 PHE A 96 -2.540 -8.834 -0.259 1.00 4.14 C ATOM 1483 CZ PHE A 96 -2.101 -10.157 -0.410 1.00 34.42 C ATOM 0 H PHE A 96 0.124 -7.118 -5.644 1.00 50.01 H new ATOM 0 HA PHE A 96 -2.449 -7.642 -4.286 1.00 23.40 H new ATOM 0 HB2 PHE A 96 0.316 -7.251 -3.378 1.00 45.32 H new ATOM 0 HB3 PHE A 96 -0.799 -6.128 -2.626 1.00 45.32 H new ATOM 0 HD1 PHE A 96 -0.026 -9.751 -3.109 1.00 63.21 H new ATOM 0 HD2 PHE A 96 -2.392 -6.821 -1.011 1.00 32.31 H new ATOM 0 HE1 PHE A 96 -0.872 -11.502 -1.553 1.00 45.35 H new ATOM 0 HE2 PHE A 96 -3.236 -8.578 0.526 1.00 4.14 H new ATOM 0 HZ PHE A 96 -2.453 -10.925 0.263 1.00 34.42 H new ATOM 1493 N THR A 97 -2.807 -5.021 -3.906 1.00 21.54 N ATOM 1494 CA THR A 97 -2.875 -3.579 -3.762 1.00 62.53 C ATOM 1495 C THR A 97 -3.260 -3.279 -2.321 1.00 22.44 C ATOM 1496 O THR A 97 -3.959 -4.082 -1.698 1.00 3.24 O ATOM 1497 CB THR A 97 -3.872 -2.985 -4.773 1.00 33.34 C ATOM 1498 OG1 THR A 97 -3.602 -3.445 -6.087 1.00 70.41 O ATOM 1499 CG2 THR A 97 -3.830 -1.466 -4.831 1.00 43.13 C ATOM 0 H THR A 97 -3.454 -5.531 -3.305 1.00 21.54 H new ATOM 0 HA THR A 97 -1.912 -3.116 -3.977 1.00 62.53 H new ATOM 0 HB THR A 97 -4.852 -3.312 -4.425 1.00 33.34 H new ATOM 0 HG1 THR A 97 -2.669 -3.738 -6.146 1.00 70.41 H new ATOM 0 HG21 THR A 97 -4.556 -1.110 -5.562 1.00 43.13 H new ATOM 0 HG22 THR A 97 -4.073 -1.058 -3.850 1.00 43.13 H new ATOM 0 HG23 THR A 97 -2.831 -1.140 -5.123 1.00 43.13 H new ATOM 1507 N VAL A 98 -2.860 -2.112 -1.827 1.00 30.42 N ATOM 1508 CA VAL A 98 -3.418 -1.464 -0.655 1.00 32.52 C ATOM 1509 C VAL A 98 -3.891 -0.091 -1.122 1.00 50.02 C ATOM 1510 O VAL A 98 -3.096 0.649 -1.704 1.00 32.40 O ATOM 1511 CB VAL A 98 -2.382 -1.403 0.492 1.00 44.25 C ATOM 1512 CG1 VAL A 98 -2.255 -2.786 1.145 1.00 45.13 C ATOM 1513 CG2 VAL A 98 -0.977 -0.941 0.083 1.00 44.04 C ATOM 0 H VAL A 98 -2.106 -1.573 -2.253 1.00 30.42 H new ATOM 0 HA VAL A 98 -4.257 -2.019 -0.235 1.00 32.52 H new ATOM 0 HB VAL A 98 -2.769 -0.650 1.178 1.00 44.25 H new ATOM 0 HG11 VAL A 98 -1.525 -2.741 1.953 1.00 45.13 H new ATOM 0 HG12 VAL A 98 -3.222 -3.089 1.546 1.00 45.13 H new ATOM 0 HG13 VAL A 98 -1.928 -3.511 0.400 1.00 45.13 H new ATOM 0 HG21 VAL A 98 -0.327 -0.933 0.958 1.00 44.04 H new ATOM 0 HG22 VAL A 98 -0.572 -1.625 -0.663 1.00 44.04 H new ATOM 0 HG23 VAL A 98 -1.032 0.063 -0.337 1.00 44.04 H new ATOM 1523 N CYS A 99 -5.165 0.236 -0.905 1.00 63.24 N ATOM 1524 CA CYS A 99 -5.708 1.566 -1.129 1.00 1.43 C ATOM 1525 C CYS A 99 -6.031 2.118 0.259 1.00 21.30 C ATOM 1526 O CYS A 99 -6.969 1.651 0.913 1.00 22.44 O ATOM 1527 CB CYS A 99 -6.921 1.558 -2.075 1.00 4.42 C ATOM 1528 SG CYS A 99 -6.720 0.414 -3.482 1.00 43.03 S ATOM 0 H CYS A 99 -5.857 -0.431 -0.563 1.00 63.24 H new ATOM 0 HA CYS A 99 -4.990 2.206 -1.642 1.00 1.43 H new ATOM 0 HB2 CYS A 99 -7.812 1.280 -1.512 1.00 4.42 H new ATOM 0 HB3 CYS A 99 -7.086 2.566 -2.454 1.00 4.42 H new ATOM 0 HG CYS A 99 -6.747 1.086 -4.595 1.00 43.03 H new ATOM 1534 N VAL A 100 -5.206 3.041 0.735 1.00 2.41 N ATOM 1535 CA VAL A 100 -5.145 3.498 2.118 1.00 3.24 C ATOM 1536 C VAL A 100 -5.532 4.963 2.189 1.00 50.43 C ATOM 1537 O VAL A 100 -5.195 5.757 1.305 1.00 23.53 O ATOM 1538 CB VAL A 100 -3.730 3.290 2.697 1.00 32.50 C ATOM 1539 CG1 VAL A 100 -3.517 1.854 3.171 1.00 43.44 C ATOM 1540 CG2 VAL A 100 -2.597 3.647 1.717 1.00 52.13 C ATOM 0 H VAL A 100 -4.528 3.515 0.138 1.00 2.41 H new ATOM 0 HA VAL A 100 -5.846 2.913 2.713 1.00 3.24 H new ATOM 0 HB VAL A 100 -3.680 3.979 3.540 1.00 32.50 H new ATOM 0 HG11 VAL A 100 -2.509 1.749 3.572 1.00 43.44 H new ATOM 0 HG12 VAL A 100 -4.243 1.616 3.948 1.00 43.44 H new ATOM 0 HG13 VAL A 100 -3.647 1.171 2.332 1.00 43.44 H new ATOM 0 HG21 VAL A 100 -1.633 3.475 2.196 1.00 52.13 H new ATOM 0 HG22 VAL A 100 -2.676 3.023 0.827 1.00 52.13 H new ATOM 0 HG23 VAL A 100 -2.678 4.696 1.433 1.00 52.13 H new ATOM 1550 N GLU A 101 -6.243 5.314 3.253 1.00 74.22 N ATOM 1551 CA GLU A 101 -7.127 6.461 3.279 1.00 4.22 C ATOM 1552 C GLU A 101 -7.095 7.097 4.671 1.00 44.33 C ATOM 1553 O GLU A 101 -7.177 6.389 5.678 1.00 41.12 O ATOM 1554 CB GLU A 101 -8.538 5.992 2.866 1.00 51.33 C ATOM 1555 CG GLU A 101 -9.001 4.632 3.420 1.00 12.10 C ATOM 1556 CD GLU A 101 -10.421 4.294 2.959 1.00 43.33 C ATOM 1557 OE1 GLU A 101 -10.607 4.025 1.749 1.00 62.31 O ATOM 1558 OE2 GLU A 101 -11.334 4.223 3.813 1.00 33.12 O ATOM 0 H GLU A 101 -6.218 4.799 4.133 1.00 74.22 H new ATOM 0 HA GLU A 101 -6.807 7.229 2.575 1.00 4.22 H new ATOM 0 HB2 GLU A 101 -9.255 6.750 3.181 1.00 51.33 H new ATOM 0 HB3 GLU A 101 -8.578 5.948 1.778 1.00 51.33 H new ATOM 0 HG2 GLU A 101 -8.315 3.851 3.092 1.00 12.10 H new ATOM 0 HG3 GLU A 101 -8.965 4.650 4.509 1.00 12.10 H new ATOM 1565 N ALA A 102 -6.917 8.424 4.720 1.00 42.31 N ATOM 1566 CA ALA A 102 -6.912 9.208 5.961 1.00 71.52 C ATOM 1567 C ALA A 102 -8.224 9.970 6.183 1.00 31.30 C ATOM 1568 O ALA A 102 -8.439 10.576 7.241 1.00 71.43 O ATOM 1569 CB ALA A 102 -5.721 10.174 5.964 1.00 74.25 C ATOM 0 H ALA A 102 -6.770 8.991 3.885 1.00 42.31 H new ATOM 0 HA ALA A 102 -6.814 8.506 6.789 1.00 71.52 H new ATOM 0 HB1 ALA A 102 -5.724 10.752 6.888 1.00 74.25 H new ATOM 0 HB2 ALA A 102 -4.793 9.607 5.894 1.00 74.25 H new ATOM 0 HB3 ALA A 102 -5.799 10.850 5.113 1.00 74.25 H new ATOM 1575 N GLY A 103 -9.086 9.996 5.167 1.00 4.32 N ATOM 1576 CA GLY A 103 -10.358 10.682 5.191 1.00 1.21 C ATOM 1577 C GLY A 103 -10.533 11.523 3.937 1.00 3.13 C ATOM 1578 O GLY A 103 -11.386 11.188 3.120 1.00 54.10 O ATOM 0 H GLY A 103 -8.904 9.523 4.282 1.00 4.32 H new ATOM 0 HA2 GLY A 103 -11.168 9.956 5.265 1.00 1.21 H new ATOM 0 HA3 GLY A 103 -10.418 11.318 6.074 1.00 1.21 H new ATOM 1582 N ASN A 104 -9.779 12.621 3.786 1.00 65.33 N ATOM 1583 CA ASN A 104 -10.019 13.539 2.665 1.00 70.12 C ATOM 1584 C ASN A 104 -9.398 13.060 1.359 1.00 11.10 C ATOM 1585 O ASN A 104 -9.830 13.524 0.308 1.00 50.41 O ATOM 1586 CB ASN A 104 -9.611 14.997 2.964 1.00 4.00 C ATOM 1587 CG ASN A 104 -10.614 15.648 3.908 1.00 12.32 C ATOM 1588 OD1 ASN A 104 -10.679 15.319 5.087 1.00 14.43 O ATOM 1589 ND2 ASN A 104 -11.463 16.530 3.413 1.00 31.55 N ATOM 0 H ASN A 104 -9.017 12.890 4.408 1.00 65.33 H new ATOM 0 HA ASN A 104 -11.101 13.532 2.536 1.00 70.12 H new ATOM 0 HB2 ASN A 104 -8.616 15.019 3.409 1.00 4.00 H new ATOM 0 HB3 ASN A 104 -9.556 15.564 2.034 1.00 4.00 H new ATOM 0 HD21 ASN A 104 -12.178 16.942 4.013 1.00 31.55 H new ATOM 0 HD22 ASN A 104 -11.404 16.800 2.431 1.00 31.55 H new ATOM 1596 N ALA A 105 -8.408 12.168 1.379 1.00 33.53 N ATOM 1597 CA ALA A 105 -7.781 11.575 0.202 1.00 43.35 C ATOM 1598 C ALA A 105 -7.312 10.141 0.491 1.00 50.21 C ATOM 1599 O ALA A 105 -7.341 9.682 1.640 1.00 71.33 O ATOM 1600 CB ALA A 105 -6.601 12.454 -0.256 1.00 70.31 C ATOM 0 H ALA A 105 -8.006 11.826 2.252 1.00 33.53 H new ATOM 0 HA ALA A 105 -8.518 11.525 -0.599 1.00 43.35 H new ATOM 0 HB1 ALA A 105 -6.135 12.008 -1.135 1.00 70.31 H new ATOM 0 HB2 ALA A 105 -6.965 13.451 -0.504 1.00 70.31 H new ATOM 0 HB3 ALA A 105 -5.867 12.525 0.547 1.00 70.31 H new ATOM 1606 N PHE A 106 -6.845 9.452 -0.547 1.00 45.21 N ATOM 1607 CA PHE A 106 -6.263 8.119 -0.471 1.00 32.14 C ATOM 1608 C PHE A 106 -5.073 8.012 -1.422 1.00 62.21 C ATOM 1609 O PHE A 106 -4.937 8.808 -2.355 1.00 72.13 O ATOM 1610 CB PHE A 106 -7.339 7.068 -0.791 1.00 74.31 C ATOM 1611 CG PHE A 106 -8.095 7.287 -2.089 1.00 30.13 C ATOM 1612 CD1 PHE A 106 -7.611 6.760 -3.301 1.00 42.11 C ATOM 1613 CD2 PHE A 106 -9.286 8.039 -2.084 1.00 3.03 C ATOM 1614 CE1 PHE A 106 -8.296 7.020 -4.501 1.00 50.02 C ATOM 1615 CE2 PHE A 106 -9.969 8.295 -3.284 1.00 62.35 C ATOM 1616 CZ PHE A 106 -9.465 7.797 -4.496 1.00 12.10 C ATOM 0 H PHE A 106 -6.863 9.822 -1.497 1.00 45.21 H new ATOM 0 HA PHE A 106 -5.897 7.934 0.539 1.00 32.14 H new ATOM 0 HB2 PHE A 106 -6.866 6.087 -0.827 1.00 74.31 H new ATOM 0 HB3 PHE A 106 -8.057 7.046 0.029 1.00 74.31 H new ATOM 0 HD1 PHE A 106 -6.715 6.157 -3.309 1.00 42.11 H new ATOM 0 HD2 PHE A 106 -9.676 8.421 -1.152 1.00 3.03 H new ATOM 0 HE1 PHE A 106 -7.921 6.620 -5.431 1.00 50.02 H new ATOM 0 HE2 PHE A 106 -10.881 8.874 -3.275 1.00 62.35 H new ATOM 0 HZ PHE A 106 -9.976 8.011 -5.423 1.00 12.10 H new ATOM 1626 N ASP A 107 -4.224 7.005 -1.226 1.00 22.12 N ATOM 1627 CA ASP A 107 -3.173 6.603 -2.167 1.00 2.03 C ATOM 1628 C ASP A 107 -3.354 5.103 -2.413 1.00 73.15 C ATOM 1629 O ASP A 107 -3.940 4.407 -1.578 1.00 74.14 O ATOM 1630 CB ASP A 107 -1.766 6.965 -1.636 1.00 54.02 C ATOM 1631 CG ASP A 107 -0.679 7.043 -2.722 1.00 53.44 C ATOM 1632 OD1 ASP A 107 -0.904 6.573 -3.859 1.00 11.32 O ATOM 1633 OD2 ASP A 107 0.417 7.598 -2.458 1.00 44.33 O ATOM 0 H ASP A 107 -4.247 6.428 -0.385 1.00 22.12 H new ATOM 0 HA ASP A 107 -3.259 7.143 -3.110 1.00 2.03 H new ATOM 0 HB2 ASP A 107 -1.820 7.925 -1.123 1.00 54.02 H new ATOM 0 HB3 ASP A 107 -1.469 6.224 -0.894 1.00 54.02 H new ATOM 1638 N GLU A 108 -2.882 4.607 -3.551 1.00 73.35 N ATOM 1639 CA GLU A 108 -3.069 3.241 -4.012 1.00 73.43 C ATOM 1640 C GLU A 108 -1.710 2.696 -4.431 1.00 52.35 C ATOM 1641 O GLU A 108 -1.107 3.206 -5.382 1.00 71.51 O ATOM 1642 CB GLU A 108 -4.116 3.187 -5.143 1.00 24.11 C ATOM 1643 CG GLU A 108 -4.167 1.770 -5.737 1.00 23.44 C ATOM 1644 CD GLU A 108 -5.365 1.466 -6.646 1.00 11.11 C ATOM 1645 OE1 GLU A 108 -6.499 1.866 -6.311 1.00 63.12 O ATOM 1646 OE2 GLU A 108 -5.179 0.705 -7.631 1.00 23.13 O ATOM 0 H GLU A 108 -2.336 5.171 -4.203 1.00 73.35 H new ATOM 0 HA GLU A 108 -3.463 2.611 -3.215 1.00 73.43 H new ATOM 0 HB2 GLU A 108 -5.097 3.465 -4.757 1.00 24.11 H new ATOM 0 HB3 GLU A 108 -3.863 3.908 -5.920 1.00 24.11 H new ATOM 0 HG2 GLU A 108 -3.252 1.603 -6.306 1.00 23.44 H new ATOM 0 HG3 GLU A 108 -4.168 1.053 -4.916 1.00 23.44 H new ATOM 1653 N PHE A 109 -1.235 1.664 -3.730 1.00 21.40 N ATOM 1654 CA PHE A 109 0.049 1.046 -4.009 1.00 53.24 C ATOM 1655 C PHE A 109 -0.141 -0.321 -4.649 1.00 70.52 C ATOM 1656 O PHE A 109 -0.529 -1.279 -3.975 1.00 53.32 O ATOM 1657 CB PHE A 109 0.882 0.944 -2.741 1.00 22.34 C ATOM 1658 CG PHE A 109 1.337 2.269 -2.158 1.00 44.02 C ATOM 1659 CD1 PHE A 109 2.115 3.143 -2.945 1.00 61.34 C ATOM 1660 CD2 PHE A 109 1.083 2.585 -0.806 1.00 53.04 C ATOM 1661 CE1 PHE A 109 2.625 4.329 -2.392 1.00 14.04 C ATOM 1662 CE2 PHE A 109 1.604 3.773 -0.262 1.00 25.10 C ATOM 1663 CZ PHE A 109 2.368 4.646 -1.050 1.00 5.21 C ATOM 0 H PHE A 109 -1.737 1.237 -2.952 1.00 21.40 H new ATOM 0 HA PHE A 109 0.588 1.677 -4.716 1.00 53.24 H new ATOM 0 HB2 PHE A 109 0.302 0.413 -1.986 1.00 22.34 H new ATOM 0 HB3 PHE A 109 1.762 0.337 -2.952 1.00 22.34 H new ATOM 0 HD1 PHE A 109 2.319 2.899 -3.977 1.00 61.34 H new ATOM 0 HD2 PHE A 109 0.493 1.919 -0.194 1.00 53.04 H new ATOM 0 HE1 PHE A 109 3.216 4.998 -3.001 1.00 14.04 H new ATOM 0 HE2 PHE A 109 1.414 4.015 0.773 1.00 25.10 H new ATOM 0 HZ PHE A 109 2.757 5.559 -0.625 1.00 5.21 H new ATOM 1673 N LYS A 110 0.121 -0.421 -5.953 1.00 21.24 N ATOM 1674 CA LYS A 110 -0.020 -1.655 -6.723 1.00 72.41 C ATOM 1675 C LYS A 110 1.227 -2.504 -6.564 1.00 53.34 C ATOM 1676 O LYS A 110 2.168 -2.385 -7.342 1.00 2.42 O ATOM 1677 CB LYS A 110 -0.341 -1.331 -8.182 1.00 3.21 C ATOM 1678 CG LYS A 110 -1.843 -1.040 -8.240 1.00 45.02 C ATOM 1679 CD LYS A 110 -2.245 -0.177 -9.435 1.00 1.24 C ATOM 1680 CE LYS A 110 -2.905 -0.957 -10.577 1.00 30.21 C ATOM 1681 NZ LYS A 110 -2.007 -1.930 -11.229 1.00 13.32 N ATOM 0 H LYS A 110 0.443 0.369 -6.513 1.00 21.24 H new ATOM 0 HA LYS A 110 -0.856 -2.241 -6.342 1.00 72.41 H new ATOM 0 HB2 LYS A 110 0.235 -0.471 -8.525 1.00 3.21 H new ATOM 0 HB3 LYS A 110 -0.082 -2.167 -8.832 1.00 3.21 H new ATOM 0 HG2 LYS A 110 -2.388 -1.983 -8.282 1.00 45.02 H new ATOM 0 HG3 LYS A 110 -2.145 -0.539 -7.320 1.00 45.02 H new ATOM 0 HD2 LYS A 110 -2.931 0.598 -9.095 1.00 1.24 H new ATOM 0 HD3 LYS A 110 -1.359 0.328 -9.819 1.00 1.24 H new ATOM 0 HE2 LYS A 110 -3.776 -1.484 -10.189 1.00 30.21 H new ATOM 0 HE3 LYS A 110 -3.266 -0.252 -11.325 1.00 30.21 H new ATOM 0 HZ1 LYS A 110 -2.520 -2.420 -11.990 1.00 13.32 H new ATOM 0 HZ2 LYS A 110 -1.187 -1.431 -11.629 1.00 13.32 H new ATOM 0 HZ3 LYS A 110 -1.681 -2.626 -10.528 1.00 13.32 H new ATOM 1695 N PHE A 111 1.248 -3.326 -5.529 1.00 2.20 N ATOM 1696 CA PHE A 111 2.288 -4.333 -5.371 1.00 41.33 C ATOM 1697 C PHE A 111 2.134 -5.396 -6.454 1.00 14.40 C ATOM 1698 O PHE A 111 1.018 -5.747 -6.834 1.00 22.31 O ATOM 1699 CB PHE A 111 2.226 -4.935 -3.966 1.00 63.11 C ATOM 1700 CG PHE A 111 2.770 -4.011 -2.898 1.00 5.42 C ATOM 1701 CD1 PHE A 111 4.151 -4.006 -2.623 1.00 34.42 C ATOM 1702 CD2 PHE A 111 1.914 -3.155 -2.179 1.00 32.41 C ATOM 1703 CE1 PHE A 111 4.672 -3.175 -1.617 1.00 72.31 C ATOM 1704 CE2 PHE A 111 2.437 -2.314 -1.183 1.00 21.22 C ATOM 1705 CZ PHE A 111 3.813 -2.334 -0.892 1.00 52.03 C ATOM 0 H PHE A 111 0.554 -3.317 -4.781 1.00 2.20 H new ATOM 0 HA PHE A 111 3.270 -3.875 -5.486 1.00 41.33 H new ATOM 0 HB2 PHE A 111 1.192 -5.184 -3.730 1.00 63.11 H new ATOM 0 HB3 PHE A 111 2.790 -5.868 -3.952 1.00 63.11 H new ATOM 0 HD1 PHE A 111 4.813 -4.645 -3.189 1.00 34.42 H new ATOM 0 HD2 PHE A 111 0.856 -3.145 -2.393 1.00 32.41 H new ATOM 0 HE1 PHE A 111 5.730 -3.183 -1.402 1.00 72.31 H new ATOM 0 HE2 PHE A 111 1.781 -1.650 -0.639 1.00 21.22 H new ATOM 0 HZ PHE A 111 4.209 -1.702 -0.111 1.00 52.03 H new ATOM 1715 N VAL A 112 3.243 -5.941 -6.937 1.00 22.54 N ATOM 1716 CA VAL A 112 3.277 -7.014 -7.920 1.00 3.20 C ATOM 1717 C VAL A 112 4.366 -7.974 -7.448 1.00 52.33 C ATOM 1718 O VAL A 112 5.436 -7.507 -7.059 1.00 53.02 O ATOM 1719 CB VAL A 112 3.577 -6.440 -9.324 1.00 12.42 C ATOM 1720 CG1 VAL A 112 3.330 -7.475 -10.427 1.00 1.00 C ATOM 1721 CG2 VAL A 112 2.798 -5.162 -9.681 1.00 3.44 C ATOM 0 H VAL A 112 4.172 -5.638 -6.646 1.00 22.54 H new ATOM 0 HA VAL A 112 2.322 -7.532 -8.003 1.00 3.20 H new ATOM 0 HB VAL A 112 4.633 -6.175 -9.270 1.00 12.42 H new ATOM 0 HG11 VAL A 112 3.552 -7.032 -11.398 1.00 1.00 H new ATOM 0 HG12 VAL A 112 3.975 -8.339 -10.266 1.00 1.00 H new ATOM 0 HG13 VAL A 112 2.287 -7.791 -10.403 1.00 1.00 H new ATOM 0 HG21 VAL A 112 3.075 -4.835 -10.683 1.00 3.44 H new ATOM 0 HG22 VAL A 112 1.728 -5.367 -9.649 1.00 3.44 H new ATOM 0 HG23 VAL A 112 3.039 -4.377 -8.964 1.00 3.44 H new ATOM 1731 N GLN A 113 4.122 -9.286 -7.462 1.00 5.01 N ATOM 1732 CA GLN A 113 5.107 -10.303 -7.115 1.00 12.41 C ATOM 1733 C GLN A 113 5.336 -11.199 -8.330 1.00 4.43 C ATOM 1734 O GLN A 113 4.404 -11.826 -8.840 1.00 24.32 O ATOM 1735 CB GLN A 113 4.621 -11.095 -5.890 1.00 70.11 C ATOM 1736 CG GLN A 113 5.707 -12.036 -5.327 1.00 31.22 C ATOM 1737 CD GLN A 113 6.340 -11.573 -4.020 1.00 41.13 C ATOM 1738 OE1 GLN A 113 6.236 -10.417 -3.617 1.00 61.15 O ATOM 1739 NE2 GLN A 113 6.982 -12.494 -3.324 1.00 41.24 N ATOM 0 H GLN A 113 3.215 -9.675 -7.720 1.00 5.01 H new ATOM 0 HA GLN A 113 6.059 -9.846 -6.847 1.00 12.41 H new ATOM 0 HB2 GLN A 113 4.309 -10.399 -5.112 1.00 70.11 H new ATOM 0 HB3 GLN A 113 3.744 -11.681 -6.165 1.00 70.11 H new ATOM 0 HG2 GLN A 113 5.269 -13.022 -5.173 1.00 31.22 H new ATOM 0 HG3 GLN A 113 6.492 -12.150 -6.074 1.00 31.22 H new ATOM 0 HE21 GLN A 113 7.053 -13.446 -3.682 1.00 41.24 H new ATOM 0 HE22 GLN A 113 7.406 -12.253 -2.428 1.00 41.24 H new ATOM 1748 N ASP A 114 6.587 -11.305 -8.766 1.00 52.23 N ATOM 1749 CA ASP A 114 6.993 -12.245 -9.823 1.00 42.43 C ATOM 1750 C ASP A 114 7.081 -13.665 -9.280 1.00 13.12 C ATOM 1751 O ASP A 114 7.175 -13.864 -8.070 1.00 24.44 O ATOM 1752 CB ASP A 114 8.341 -11.833 -10.420 1.00 61.22 C ATOM 1753 CG ASP A 114 8.149 -10.799 -11.525 1.00 54.03 C ATOM 1754 OD1 ASP A 114 7.892 -9.614 -11.200 1.00 71.12 O ATOM 1755 OD2 ASP A 114 8.176 -11.162 -12.717 1.00 22.50 O ATOM 0 H ASP A 114 7.355 -10.743 -8.400 1.00 52.23 H new ATOM 0 HA ASP A 114 6.235 -12.217 -10.606 1.00 42.43 H new ATOM 0 HB2 ASP A 114 8.980 -11.422 -9.638 1.00 61.22 H new ATOM 0 HB3 ASP A 114 8.850 -12.710 -10.820 1.00 61.22 H new ATOM 1760 N ALA A 115 6.994 -14.662 -10.158 1.00 61.52 N ATOM 1761 CA ALA A 115 7.060 -16.072 -9.787 1.00 4.03 C ATOM 1762 C ALA A 115 8.482 -16.497 -9.472 1.00 50.35 C ATOM 1763 O ALA A 115 9.432 -15.960 -10.060 1.00 3.44 O ATOM 1764 CB ALA A 115 6.631 -16.909 -10.973 1.00 45.15 C ATOM 0 H ALA A 115 6.874 -14.510 -11.160 1.00 61.52 H new ATOM 0 HA ALA A 115 6.421 -16.212 -8.915 1.00 4.03 H new ATOM 0 HB1 ALA A 115 6.676 -17.965 -10.708 1.00 45.15 H new ATOM 0 HB2 ALA A 115 5.610 -16.648 -11.252 1.00 45.15 H new ATOM 0 HB3 ALA A 115 7.297 -16.717 -11.814 1.00 45.15 H new ATOM 1770 N ALA A 116 8.615 -17.526 -8.636 1.00 45.33 N ATOM 1771 CA ALA A 116 9.911 -18.119 -8.358 1.00 51.43 C ATOM 1772 C ALA A 116 10.199 -19.171 -9.418 1.00 64.43 C ATOM 1773 O ALA A 116 9.281 -19.832 -9.915 1.00 41.01 O ATOM 1774 CB ALA A 116 9.917 -18.736 -6.962 1.00 2.12 C ATOM 0 H ALA A 116 7.837 -17.963 -8.142 1.00 45.33 H new ATOM 0 HA ALA A 116 10.688 -17.355 -8.387 1.00 51.43 H new ATOM 0 HB1 ALA A 116 10.893 -19.178 -6.764 1.00 2.12 H new ATOM 0 HB2 ALA A 116 9.711 -17.963 -6.222 1.00 2.12 H new ATOM 0 HB3 ALA A 116 9.150 -19.508 -6.902 1.00 2.12 H new ATOM 1780 N LYS A 117 11.473 -19.376 -9.751 1.00 13.24 N ATOM 1781 CA LYS A 117 11.875 -20.505 -10.599 1.00 43.04 C ATOM 1782 C LYS A 117 12.041 -21.761 -9.745 1.00 73.15 C ATOM 1783 O LYS A 117 13.122 -22.358 -9.688 1.00 45.31 O ATOM 1784 CB LYS A 117 13.103 -20.168 -11.460 1.00 50.35 C ATOM 1785 CG LYS A 117 13.011 -20.900 -12.813 1.00 4.02 C ATOM 1786 CD LYS A 117 14.344 -20.926 -13.573 1.00 41.42 C ATOM 1787 CE LYS A 117 14.204 -20.995 -15.099 1.00 71.22 C ATOM 1788 NZ LYS A 117 13.959 -19.663 -15.690 1.00 33.53 N ATOM 0 H LYS A 117 12.244 -18.780 -9.450 1.00 13.24 H new ATOM 0 HA LYS A 117 11.083 -20.713 -11.319 1.00 43.04 H new ATOM 0 HB2 LYS A 117 13.160 -19.092 -11.622 1.00 50.35 H new ATOM 0 HB3 LYS A 117 14.015 -20.461 -10.939 1.00 50.35 H new ATOM 0 HG2 LYS A 117 12.675 -21.923 -12.644 1.00 4.02 H new ATOM 0 HG3 LYS A 117 12.256 -20.415 -13.432 1.00 4.02 H new ATOM 0 HD2 LYS A 117 14.914 -20.034 -13.313 1.00 41.42 H new ATOM 0 HD3 LYS A 117 14.924 -21.785 -13.235 1.00 41.42 H new ATOM 0 HE2 LYS A 117 15.111 -21.421 -15.528 1.00 71.22 H new ATOM 0 HE3 LYS A 117 13.384 -21.664 -15.359 1.00 71.22 H new ATOM 0 HZ1 LYS A 117 13.870 -19.752 -16.722 1.00 33.53 H new ATOM 0 HZ2 LYS A 117 13.080 -19.266 -15.300 1.00 33.53 H new ATOM 0 HZ3 LYS A 117 14.754 -19.031 -15.464 1.00 33.53 H new ATOM 1802 N GLN A 118 10.996 -22.125 -9.009 1.00 3.44 N ATOM 1803 CA GLN A 118 10.915 -23.363 -8.262 1.00 30.52 C ATOM 1804 C GLN A 118 10.132 -24.315 -9.139 1.00 13.20 C ATOM 1805 O GLN A 118 9.045 -23.926 -9.622 1.00 41.42 O ATOM 1806 CB GLN A 118 10.236 -23.123 -6.905 1.00 25.12 C ATOM 1807 CG GLN A 118 10.991 -22.142 -5.991 1.00 42.22 C ATOM 1808 CD GLN A 118 12.292 -22.711 -5.428 1.00 24.30 C ATOM 1809 OE1 GLN A 118 12.302 -23.659 -4.642 1.00 45.43 O ATOM 1810 NE2 GLN A 118 13.434 -22.161 -5.804 1.00 44.05 N ATOM 0 H GLN A 118 10.161 -21.546 -8.917 1.00 3.44 H new ATOM 0 HA GLN A 118 11.896 -23.778 -8.032 1.00 30.52 H new ATOM 0 HB2 GLN A 118 9.229 -22.742 -7.077 1.00 25.12 H new ATOM 0 HB3 GLN A 118 10.132 -24.077 -6.389 1.00 25.12 H new ATOM 0 HG2 GLN A 118 11.213 -21.234 -6.551 1.00 42.22 H new ATOM 0 HG3 GLN A 118 10.341 -21.855 -5.164 1.00 42.22 H new ATOM 0 HE21 GLN A 118 13.432 -21.376 -6.455 1.00 44.05 H new ATOM 0 HE22 GLN A 118 14.317 -22.522 -5.443 1.00 44.05 H new TER 1819 GLN A 118