USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1111 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 91 THR OG1 : rot -76:sc= 1.65 USER MOD Set 1.2: A 93 CYS SG : rot 102:sc= 1.27 USER MOD Set 2.1: A 69 GLN : amide:sc= -2 X(o=-2.3,f=-2.3) USER MOD Set 2.2: A 86 SER OG : rot 160:sc= -0.255 USER MOD Set 3.1: A 82 LYS NZ :NH3+ -168:sc= 0.141 (180deg=0.0987) USER MOD Set 3.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 60 GLN : amide:sc= 0.113 K(o=-0.03,f=-2.6!) USER MOD Set 4.2: A 64 GLN : amide:sc= -0.332 X(o=-0.03,f=0.1) USER MOD Set 4.3: A 70 THR OG1 : rot 136:sc= 0.19 USER MOD Set 5.1: A 45 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Set 5.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 10 HIS : no HD1:sc= -0.286 X(o=-0.42,f=-0.13) USER MOD Set 6.2: A 12 GLN : amide:sc= -0.133 K(o=-0.42,f=-3!) USER MOD Set 7.1: A 7 HIS : no HD1:sc= 0.143 K(o=0.47,f=-0.54) USER MOD Set 7.2: A 9 SER OG : rot 117:sc= 0.332 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0928 (180deg=-0.484) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.111 (180deg=-0.00336) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -164:sc= -0.134 (180deg=-0.465) USER MOD Single : A 17 SER OG : rot 180:sc= -0.25 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.604 K(o=-0.6,f=-1.3) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -0.0246 (180deg=-0.209) USER MOD Single : A 36 THR OG1 : rot 74:sc= 0.645 USER MOD Single : A 39 SER OG : rot 77:sc= 1.06 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.351 K(o=-0.35,f=-1.6) USER MOD Single : A 46 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.589 K(o=-0.59,f=0.043) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -171:sc= -0.214 (180deg=-0.457) USER MOD Single : A 67 ASN : amide:sc= -0.837 K(o=-0.84,f=0.56) USER MOD Single : A 73 MET CE :methyl -158:sc= -0.164 (180deg=-0.657) USER MOD Single : A 74 SER OG : rot 63:sc= 1.12 USER MOD Single : A 78 SER OG : rot -160:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.857 K(o=-0.86,f=-0.18) USER MOD Single : A 97 THR OG1 : rot -134:sc= 0.053 USER MOD Single : A 105 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.58) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -171:sc= 0 (180deg=-0.0952) USER MOD Single : A 109 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -105:sc= 1.32 (180deg=-0.000774) USER MOD Single : A 114 GLN : amide:sc= -1.95! C(o=-1.9!,f=-3.5!) USER MOD Single : A 115 ASN : amide:sc= -4.4! K(o=-4.4!,f=0.43) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -20:sc= -0.116 USER MOD Single : A 123 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.75) USER MOD Single : A 124 SER OG : rot -81:sc= 0.818 USER MOD Single : A 127 SER OG : rot 75:sc= 0.948 USER MOD Single : A 131 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.733 37.836 -48.781 1.00 21.21 N ATOM 2 CA MET A 1 -15.516 37.853 -47.935 1.00 4.04 C ATOM 3 C MET A 1 -15.693 38.842 -46.771 1.00 22.15 C ATOM 4 O MET A 1 -16.681 39.584 -46.715 1.00 52.21 O ATOM 5 CB MET A 1 -14.258 38.194 -48.791 1.00 62.23 C ATOM 6 CG MET A 1 -14.257 39.582 -49.457 1.00 74.24 C ATOM 7 SD MET A 1 -12.829 39.856 -50.537 1.00 22.35 S ATOM 8 CE MET A 1 -13.094 38.628 -51.827 1.00 43.41 C ATOM 0 H1 MET A 1 -17.218 36.923 -48.673 1.00 21.21 H new ATOM 0 H2 MET A 1 -17.370 38.604 -48.488 1.00 21.21 H new ATOM 0 H3 MET A 1 -16.465 37.970 -49.777 1.00 21.21 H new ATOM 0 HA MET A 1 -15.365 36.860 -47.512 1.00 4.04 H new ATOM 0 HB2 MET A 1 -13.377 38.117 -48.154 1.00 62.23 H new ATOM 0 HB3 MET A 1 -14.156 37.438 -49.570 1.00 62.23 H new ATOM 0 HG2 MET A 1 -15.172 39.699 -50.038 1.00 74.24 H new ATOM 0 HG3 MET A 1 -14.271 40.349 -48.683 1.00 74.24 H new ATOM 0 HE1 MET A 1 -12.496 38.885 -52.702 1.00 43.41 H new ATOM 0 HE2 MET A 1 -12.797 37.645 -51.460 1.00 43.41 H new ATOM 0 HE3 MET A 1 -14.149 38.610 -52.101 1.00 43.41 H new ATOM 20 N GLY A 2 -14.733 38.829 -45.838 1.00 2.12 N ATOM 21 CA GLY A 2 -14.772 39.676 -44.650 1.00 61.44 C ATOM 22 C GLY A 2 -13.614 39.339 -43.735 1.00 4.03 C ATOM 23 O GLY A 2 -13.814 38.820 -42.632 1.00 31.32 O ATOM 0 H GLY A 2 -13.909 38.229 -45.890 1.00 2.12 H new ATOM 0 HA2 GLY A 2 -14.723 40.726 -44.940 1.00 61.44 H new ATOM 0 HA3 GLY A 2 -15.716 39.534 -44.123 1.00 61.44 H new ATOM 27 N HIS A 3 -12.396 39.616 -44.225 1.00 20.10 N ATOM 28 CA HIS A 3 -11.133 39.217 -43.579 1.00 74.00 C ATOM 29 C HIS A 3 -10.849 40.054 -42.313 1.00 53.42 C ATOM 30 O HIS A 3 -10.117 41.046 -42.345 1.00 14.31 O ATOM 31 CB HIS A 3 -9.977 39.307 -44.613 1.00 3.44 C ATOM 32 CG HIS A 3 -8.671 38.672 -44.185 1.00 75.41 C ATOM 33 ND1 HIS A 3 -7.537 39.397 -43.892 1.00 43.14 N ATOM 34 CD2 HIS A 3 -8.310 37.368 -44.062 1.00 71.51 C ATOM 35 CE1 HIS A 3 -6.549 38.574 -43.609 1.00 75.13 C ATOM 36 NE2 HIS A 3 -6.986 37.342 -43.705 1.00 73.01 N ATOM 0 H HIS A 3 -12.257 40.131 -45.094 1.00 20.10 H new ATOM 0 HA HIS A 3 -11.217 38.184 -43.242 1.00 74.00 H new ATOM 0 HB2 HIS A 3 -10.304 38.836 -45.540 1.00 3.44 H new ATOM 0 HB3 HIS A 3 -9.794 40.358 -44.837 1.00 3.44 H new ATOM 0 HD2 HIS A 3 -8.948 36.510 -44.217 1.00 71.51 H new ATOM 0 HE1 HIS A 3 -5.544 38.866 -43.342 1.00 75.13 H new ATOM 0 HE2 HIS A 3 -6.432 36.501 -43.541 1.00 73.01 H new ATOM 45 N HIS A 4 -11.501 39.653 -41.212 1.00 21.01 N ATOM 46 CA HIS A 4 -11.308 40.211 -39.864 1.00 51.42 C ATOM 47 C HIS A 4 -11.468 39.071 -38.850 1.00 20.02 C ATOM 48 O HIS A 4 -12.590 38.658 -38.528 1.00 61.12 O ATOM 49 CB HIS A 4 -12.304 41.370 -39.560 1.00 20.22 C ATOM 50 CG HIS A 4 -12.020 42.642 -40.315 1.00 11.34 C ATOM 51 ND1 HIS A 4 -12.711 43.025 -41.447 1.00 75.34 N ATOM 52 CD2 HIS A 4 -11.122 43.636 -40.081 1.00 15.33 C ATOM 53 CE1 HIS A 4 -12.242 44.173 -41.884 1.00 20.22 C ATOM 54 NE2 HIS A 4 -11.285 44.571 -41.070 1.00 35.35 N ATOM 0 H HIS A 4 -12.198 38.909 -41.235 1.00 21.01 H new ATOM 0 HA HIS A 4 -10.310 40.643 -39.796 1.00 51.42 H new ATOM 0 HB2 HIS A 4 -13.314 41.037 -39.798 1.00 20.22 H new ATOM 0 HB3 HIS A 4 -12.282 41.582 -38.491 1.00 20.22 H new ATOM 0 HD2 HIS A 4 -10.413 43.680 -39.268 1.00 15.33 H new ATOM 0 HE1 HIS A 4 -12.584 44.701 -42.762 1.00 20.22 H new ATOM 0 HE2 HIS A 4 -10.752 45.436 -41.161 1.00 35.35 H new ATOM 63 N HIS A 5 -10.331 38.539 -38.390 1.00 42.24 N ATOM 64 CA HIS A 5 -10.274 37.376 -37.503 1.00 33.21 C ATOM 65 C HIS A 5 -9.012 37.489 -36.632 1.00 63.10 C ATOM 66 O HIS A 5 -8.060 36.707 -36.759 1.00 41.41 O ATOM 67 CB HIS A 5 -10.312 36.067 -38.352 1.00 72.43 C ATOM 68 CG HIS A 5 -10.435 34.788 -37.561 1.00 55.21 C ATOM 69 ND1 HIS A 5 -9.406 33.876 -37.438 1.00 73.52 N ATOM 70 CD2 HIS A 5 -11.490 34.240 -36.907 1.00 62.42 C ATOM 71 CE1 HIS A 5 -9.819 32.833 -36.747 1.00 42.40 C ATOM 72 NE2 HIS A 5 -11.076 33.026 -36.416 1.00 60.34 N ATOM 0 H HIS A 5 -9.412 38.911 -38.628 1.00 42.24 H new ATOM 0 HA HIS A 5 -11.137 37.343 -36.838 1.00 33.21 H new ATOM 0 HB2 HIS A 5 -11.151 36.128 -39.046 1.00 72.43 H new ATOM 0 HB3 HIS A 5 -9.404 36.017 -38.953 1.00 72.43 H new ATOM 0 HD2 HIS A 5 -12.471 34.677 -36.794 1.00 62.42 H new ATOM 0 HE1 HIS A 5 -9.225 31.967 -36.495 1.00 42.40 H new ATOM 0 HE2 HIS A 5 -11.652 32.377 -35.880 1.00 60.34 H new ATOM 81 N HIS A 6 -8.984 38.546 -35.800 1.00 41.33 N ATOM 82 CA HIS A 6 -7.920 38.795 -34.806 1.00 45.14 C ATOM 83 C HIS A 6 -8.556 38.880 -33.411 1.00 71.54 C ATOM 84 O HIS A 6 -8.866 39.977 -32.929 1.00 43.41 O ATOM 85 CB HIS A 6 -7.120 40.102 -35.125 1.00 43.14 C ATOM 86 CG HIS A 6 -6.297 40.058 -36.389 1.00 12.24 C ATOM 87 ND1 HIS A 6 -4.921 40.191 -36.402 1.00 15.44 N ATOM 88 CD2 HIS A 6 -6.659 39.940 -37.693 1.00 41.02 C ATOM 89 CE1 HIS A 6 -4.486 40.158 -37.644 1.00 21.24 C ATOM 90 NE2 HIS A 6 -5.517 40.005 -38.446 1.00 72.11 N ATOM 0 H HIS A 6 -9.710 39.263 -35.798 1.00 41.33 H new ATOM 0 HA HIS A 6 -7.208 37.971 -34.842 1.00 45.14 H new ATOM 0 HB2 HIS A 6 -7.824 40.931 -35.197 1.00 43.14 H new ATOM 0 HB3 HIS A 6 -6.458 40.318 -34.286 1.00 43.14 H new ATOM 0 HD2 HIS A 6 -7.664 39.817 -38.068 1.00 41.02 H new ATOM 0 HE1 HIS A 6 -3.455 40.242 -37.953 1.00 21.24 H new ATOM 0 HE2 HIS A 6 -5.473 39.945 -39.463 1.00 72.11 H new ATOM 99 N HIS A 7 -8.816 37.706 -32.805 1.00 71.55 N ATOM 100 CA HIS A 7 -9.351 37.585 -31.444 1.00 24.53 C ATOM 101 C HIS A 7 -9.284 36.111 -30.994 1.00 40.52 C ATOM 102 O HIS A 7 -10.022 35.257 -31.491 1.00 33.42 O ATOM 103 CB HIS A 7 -10.805 38.165 -31.318 1.00 14.22 C ATOM 104 CG HIS A 7 -11.876 37.447 -32.111 1.00 2.50 C ATOM 105 ND1 HIS A 7 -12.943 36.804 -31.514 1.00 32.34 N ATOM 106 CD2 HIS A 7 -12.054 37.288 -33.450 1.00 45.42 C ATOM 107 CE1 HIS A 7 -13.713 36.277 -32.443 1.00 63.23 C ATOM 108 NE2 HIS A 7 -13.202 36.559 -33.621 1.00 74.24 N ATOM 0 H HIS A 7 -8.657 36.805 -33.257 1.00 71.55 H new ATOM 0 HA HIS A 7 -8.732 38.188 -30.780 1.00 24.53 H new ATOM 0 HB2 HIS A 7 -11.090 38.153 -30.266 1.00 14.22 H new ATOM 0 HB3 HIS A 7 -10.787 39.209 -31.631 1.00 14.22 H new ATOM 0 HD2 HIS A 7 -11.411 37.665 -34.232 1.00 45.42 H new ATOM 0 HE1 HIS A 7 -14.614 35.708 -32.267 1.00 63.23 H new ATOM 0 HE2 HIS A 7 -13.597 36.280 -34.519 1.00 74.24 H new ATOM 117 N HIS A 8 -8.336 35.807 -30.097 1.00 24.15 N ATOM 118 CA HIS A 8 -8.215 34.489 -29.451 1.00 72.12 C ATOM 119 C HIS A 8 -8.987 34.552 -28.129 1.00 72.42 C ATOM 120 O HIS A 8 -8.400 34.599 -27.038 1.00 1.14 O ATOM 121 CB HIS A 8 -6.723 34.105 -29.238 1.00 5.54 C ATOM 122 CG HIS A 8 -5.951 33.854 -30.516 1.00 54.05 C ATOM 123 ND1 HIS A 8 -5.391 32.631 -30.839 1.00 42.53 N ATOM 124 CD2 HIS A 8 -5.629 34.681 -31.541 1.00 61.13 C ATOM 125 CE1 HIS A 8 -4.760 32.727 -31.994 1.00 0.54 C ATOM 126 NE2 HIS A 8 -4.890 33.957 -32.439 1.00 40.34 N ATOM 0 H HIS A 8 -7.625 36.473 -29.796 1.00 24.15 H new ATOM 0 HA HIS A 8 -8.637 33.710 -30.086 1.00 72.12 H new ATOM 0 HB2 HIS A 8 -6.231 34.903 -28.682 1.00 5.54 H new ATOM 0 HB3 HIS A 8 -6.676 33.210 -28.618 1.00 5.54 H new ATOM 0 HD2 HIS A 8 -5.905 35.721 -31.633 1.00 61.13 H new ATOM 0 HE1 HIS A 8 -4.227 31.929 -32.490 1.00 0.54 H new ATOM 0 HE2 HIS A 8 -4.503 34.315 -33.312 1.00 40.34 H new ATOM 135 N SER A 9 -10.317 34.635 -28.252 1.00 40.34 N ATOM 136 CA SER A 9 -11.217 34.875 -27.128 1.00 3.32 C ATOM 137 C SER A 9 -11.523 33.556 -26.387 1.00 42.00 C ATOM 138 O SER A 9 -12.293 32.717 -26.868 1.00 4.33 O ATOM 139 CB SER A 9 -12.501 35.564 -27.647 1.00 52.34 C ATOM 140 OG SER A 9 -12.181 36.722 -28.404 1.00 32.50 O ATOM 0 H SER A 9 -10.799 34.536 -29.145 1.00 40.34 H new ATOM 0 HA SER A 9 -10.741 35.538 -26.405 1.00 3.32 H new ATOM 0 HB2 SER A 9 -13.070 34.867 -28.263 1.00 52.34 H new ATOM 0 HB3 SER A 9 -13.137 35.838 -26.806 1.00 52.34 H new ATOM 0 HG SER A 9 -12.487 36.604 -29.328 1.00 32.50 H new ATOM 146 N HIS A 10 -10.840 33.363 -25.246 1.00 14.25 N ATOM 147 CA HIS A 10 -11.046 32.225 -24.341 1.00 24.05 C ATOM 148 C HIS A 10 -10.629 32.652 -22.921 1.00 52.52 C ATOM 149 O HIS A 10 -9.465 33.009 -22.688 1.00 25.01 O ATOM 150 CB HIS A 10 -10.266 30.956 -24.812 1.00 12.22 C ATOM 151 CG HIS A 10 -8.766 31.104 -24.839 1.00 73.34 C ATOM 152 ND1 HIS A 10 -7.936 30.525 -23.902 1.00 13.03 N ATOM 153 CD2 HIS A 10 -7.951 31.763 -25.698 1.00 4.20 C ATOM 154 CE1 HIS A 10 -6.687 30.834 -24.179 1.00 40.40 C ATOM 155 NE2 HIS A 10 -6.665 31.575 -25.266 1.00 53.50 N ATOM 0 H HIS A 10 -10.117 34.006 -24.923 1.00 14.25 H new ATOM 0 HA HIS A 10 -12.100 31.947 -24.346 1.00 24.05 H new ATOM 0 HB2 HIS A 10 -10.522 30.125 -24.154 1.00 12.22 H new ATOM 0 HB3 HIS A 10 -10.608 30.688 -25.812 1.00 12.22 H new ATOM 0 HD2 HIS A 10 -8.259 32.331 -26.563 1.00 4.20 H new ATOM 0 HE1 HIS A 10 -5.822 30.529 -23.608 1.00 40.40 H new ATOM 0 HE2 HIS A 10 -5.828 31.948 -25.713 1.00 53.50 H new ATOM 164 N MET A 11 -11.596 32.690 -21.992 1.00 71.12 N ATOM 165 CA MET A 11 -11.334 32.984 -20.575 1.00 13.32 C ATOM 166 C MET A 11 -10.770 31.721 -19.920 1.00 22.23 C ATOM 167 O MET A 11 -11.374 30.650 -20.030 1.00 65.44 O ATOM 168 CB MET A 11 -12.635 33.449 -19.855 1.00 13.22 C ATOM 169 CG MET A 11 -12.446 33.878 -18.390 1.00 53.23 C ATOM 170 SD MET A 11 -13.985 34.403 -17.592 1.00 43.43 S ATOM 171 CE MET A 11 -14.522 35.769 -18.634 1.00 45.34 C ATOM 0 H MET A 11 -12.579 32.518 -22.201 1.00 71.12 H new ATOM 0 HA MET A 11 -10.613 33.797 -20.493 1.00 13.32 H new ATOM 0 HB2 MET A 11 -13.062 34.284 -20.411 1.00 13.22 H new ATOM 0 HB3 MET A 11 -13.362 32.638 -19.890 1.00 13.22 H new ATOM 0 HG2 MET A 11 -12.019 33.048 -17.828 1.00 53.23 H new ATOM 0 HG3 MET A 11 -11.726 34.695 -18.348 1.00 53.23 H new ATOM 0 HE1 MET A 11 -15.279 36.352 -18.109 1.00 45.34 H new ATOM 0 HE2 MET A 11 -13.669 36.407 -18.866 1.00 45.34 H new ATOM 0 HE3 MET A 11 -14.944 35.377 -19.559 1.00 45.34 H new ATOM 181 N GLN A 12 -9.599 31.857 -19.277 1.00 13.34 N ATOM 182 CA GLN A 12 -8.900 30.741 -18.626 1.00 64.14 C ATOM 183 C GLN A 12 -9.675 30.318 -17.357 1.00 32.42 C ATOM 184 O GLN A 12 -9.353 30.753 -16.242 1.00 25.31 O ATOM 185 CB GLN A 12 -7.430 31.138 -18.279 1.00 15.44 C ATOM 186 CG GLN A 12 -6.624 31.847 -19.401 1.00 54.30 C ATOM 187 CD GLN A 12 -6.258 30.976 -20.616 1.00 63.52 C ATOM 188 OE1 GLN A 12 -6.982 30.064 -21.006 1.00 13.23 O ATOM 189 NE2 GLN A 12 -5.118 31.269 -21.227 1.00 22.14 N ATOM 0 H GLN A 12 -9.110 32.748 -19.195 1.00 13.34 H new ATOM 0 HA GLN A 12 -8.859 29.895 -19.312 1.00 64.14 H new ATOM 0 HB2 GLN A 12 -7.449 31.792 -17.407 1.00 15.44 H new ATOM 0 HB3 GLN A 12 -6.892 30.236 -17.989 1.00 15.44 H new ATOM 0 HG2 GLN A 12 -7.201 32.702 -19.752 1.00 54.30 H new ATOM 0 HG3 GLN A 12 -5.704 32.239 -18.969 1.00 54.30 H new ATOM 0 HE21 GLN A 12 -4.536 32.032 -20.882 1.00 22.14 H new ATOM 0 HE22 GLN A 12 -4.823 30.731 -22.042 1.00 22.14 H new ATOM 198 N GLU A 13 -10.733 29.518 -17.552 1.00 71.14 N ATOM 199 CA GLU A 13 -11.645 29.093 -16.477 1.00 3.23 C ATOM 200 C GLU A 13 -11.787 27.566 -16.559 1.00 41.43 C ATOM 201 O GLU A 13 -12.751 27.028 -17.127 1.00 11.25 O ATOM 202 CB GLU A 13 -13.017 29.843 -16.592 1.00 72.34 C ATOM 203 CG GLU A 13 -13.850 29.950 -15.284 1.00 2.34 C ATOM 204 CD GLU A 13 -14.360 28.611 -14.716 1.00 54.31 C ATOM 205 OE1 GLU A 13 -15.411 28.117 -15.180 1.00 73.25 O ATOM 206 OE2 GLU A 13 -13.722 28.052 -13.792 1.00 54.30 O ATOM 0 H GLU A 13 -10.983 29.144 -18.467 1.00 71.14 H new ATOM 0 HA GLU A 13 -11.247 29.353 -15.496 1.00 3.23 H new ATOM 0 HB2 GLU A 13 -12.827 30.851 -16.961 1.00 72.34 H new ATOM 0 HB3 GLU A 13 -13.623 29.337 -17.344 1.00 72.34 H new ATOM 0 HG2 GLU A 13 -13.241 30.440 -14.524 1.00 2.34 H new ATOM 0 HG3 GLU A 13 -14.707 30.597 -15.471 1.00 2.34 H new ATOM 213 N LEU A 14 -10.751 26.878 -16.062 1.00 20.45 N ATOM 214 CA LEU A 14 -10.685 25.408 -15.990 1.00 10.11 C ATOM 215 C LEU A 14 -10.529 25.006 -14.508 1.00 21.41 C ATOM 216 O LEU A 14 -9.901 25.748 -13.751 1.00 61.33 O ATOM 217 CB LEU A 14 -9.491 24.836 -16.830 1.00 34.42 C ATOM 218 CG LEU A 14 -9.519 25.083 -18.388 1.00 13.51 C ATOM 219 CD1 LEU A 14 -9.160 26.539 -18.755 1.00 4.44 C ATOM 220 CD2 LEU A 14 -8.605 24.077 -19.132 1.00 33.22 C ATOM 0 H LEU A 14 -9.918 27.334 -15.691 1.00 20.45 H new ATOM 0 HA LEU A 14 -11.600 24.991 -16.410 1.00 10.11 H new ATOM 0 HB2 LEU A 14 -8.568 25.262 -16.437 1.00 34.42 H new ATOM 0 HB3 LEU A 14 -9.443 23.760 -16.660 1.00 34.42 H new ATOM 0 HG LEU A 14 -10.545 24.915 -18.717 1.00 13.51 H new ATOM 0 HD11 LEU A 14 -9.193 26.660 -19.838 1.00 4.44 H new ATOM 0 HD12 LEU A 14 -9.876 27.218 -18.292 1.00 4.44 H new ATOM 0 HD13 LEU A 14 -8.157 26.768 -18.394 1.00 4.44 H new ATOM 0 HD21 LEU A 14 -8.645 24.272 -20.204 1.00 33.22 H new ATOM 0 HD22 LEU A 14 -7.579 24.189 -18.781 1.00 33.22 H new ATOM 0 HD23 LEU A 14 -8.947 23.061 -18.935 1.00 33.22 H new ATOM 232 N PRO A 15 -11.106 23.844 -14.055 1.00 74.21 N ATOM 233 CA PRO A 15 -10.953 23.367 -12.662 1.00 1.24 C ATOM 234 C PRO A 15 -9.475 23.057 -12.321 1.00 12.51 C ATOM 235 O PRO A 15 -8.976 21.971 -12.635 1.00 1.12 O ATOM 236 CB PRO A 15 -11.865 22.102 -12.597 1.00 51.22 C ATOM 237 CG PRO A 15 -12.775 22.216 -13.791 1.00 44.30 C ATOM 238 CD PRO A 15 -11.963 22.920 -14.852 1.00 45.32 C ATOM 0 HA PRO A 15 -11.243 24.115 -11.924 1.00 1.24 H new ATOM 0 HB2 PRO A 15 -11.274 21.187 -12.637 1.00 51.22 H new ATOM 0 HB3 PRO A 15 -12.434 22.073 -11.668 1.00 51.22 H new ATOM 0 HG2 PRO A 15 -13.099 21.233 -14.133 1.00 44.30 H new ATOM 0 HG3 PRO A 15 -13.675 22.781 -13.546 1.00 44.30 H new ATOM 0 HD2 PRO A 15 -11.367 22.219 -15.436 1.00 45.32 H new ATOM 0 HD3 PRO A 15 -12.597 23.461 -15.554 1.00 45.32 H new ATOM 246 N ASP A 16 -8.780 24.065 -11.743 1.00 13.32 N ATOM 247 CA ASP A 16 -7.365 23.955 -11.320 1.00 4.25 C ATOM 248 C ASP A 16 -7.205 22.838 -10.283 1.00 12.35 C ATOM 249 O ASP A 16 -7.666 22.979 -9.141 1.00 50.11 O ATOM 250 CB ASP A 16 -6.837 25.297 -10.734 1.00 53.25 C ATOM 251 CG ASP A 16 -6.754 26.424 -11.774 1.00 43.33 C ATOM 252 OD1 ASP A 16 -5.723 26.519 -12.477 1.00 21.13 O ATOM 253 OD2 ASP A 16 -7.718 27.212 -11.898 1.00 14.44 O ATOM 0 H ASP A 16 -9.188 24.981 -11.556 1.00 13.32 H new ATOM 0 HA ASP A 16 -6.775 23.716 -12.205 1.00 4.25 H new ATOM 0 HB2 ASP A 16 -7.490 25.611 -9.919 1.00 53.25 H new ATOM 0 HB3 ASP A 16 -5.848 25.134 -10.306 1.00 53.25 H new ATOM 258 N SER A 17 -6.581 21.731 -10.698 1.00 62.30 N ATOM 259 CA SER A 17 -6.354 20.564 -9.844 1.00 73.12 C ATOM 260 C SER A 17 -5.211 19.713 -10.406 1.00 72.32 C ATOM 261 O SER A 17 -5.150 19.470 -11.618 1.00 51.31 O ATOM 262 CB SER A 17 -7.650 19.726 -9.727 1.00 5.32 C ATOM 263 OG SER A 17 -7.454 18.559 -8.946 1.00 35.22 O ATOM 0 H SER A 17 -6.217 21.620 -11.644 1.00 62.30 H new ATOM 0 HA SER A 17 -6.073 20.905 -8.848 1.00 73.12 H new ATOM 0 HB2 SER A 17 -8.437 20.334 -9.281 1.00 5.32 H new ATOM 0 HB3 SER A 17 -7.991 19.444 -10.723 1.00 5.32 H new ATOM 0 HG SER A 17 -8.293 18.056 -8.893 1.00 35.22 H new ATOM 269 N GLY A 18 -4.305 19.278 -9.517 1.00 53.32 N ATOM 270 CA GLY A 18 -3.230 18.350 -9.860 1.00 71.34 C ATOM 271 C GLY A 18 -3.507 16.963 -9.307 1.00 0.11 C ATOM 272 O GLY A 18 -4.301 16.811 -8.366 1.00 34.14 O ATOM 0 H GLY A 18 -4.302 19.564 -8.538 1.00 53.32 H new ATOM 0 HA2 GLY A 18 -3.122 18.298 -10.943 1.00 71.34 H new ATOM 0 HA3 GLY A 18 -2.285 18.721 -9.463 1.00 71.34 H new ATOM 276 N ALA A 19 -2.871 15.942 -9.900 1.00 2.34 N ATOM 277 CA ALA A 19 -2.996 14.542 -9.449 1.00 1.32 C ATOM 278 C ALA A 19 -2.097 14.264 -8.228 1.00 51.13 C ATOM 279 O ALA A 19 -1.429 15.172 -7.707 1.00 21.34 O ATOM 280 CB ALA A 19 -2.661 13.589 -10.609 1.00 2.43 C ATOM 0 H ALA A 19 -2.256 16.060 -10.705 1.00 2.34 H new ATOM 0 HA ALA A 19 -4.026 14.369 -9.138 1.00 1.32 H new ATOM 0 HB1 ALA A 19 -2.755 12.557 -10.271 1.00 2.43 H new ATOM 0 HB2 ALA A 19 -3.351 13.764 -11.435 1.00 2.43 H new ATOM 0 HB3 ALA A 19 -1.640 13.769 -10.945 1.00 2.43 H new ATOM 286 N LEU A 20 -2.084 12.999 -7.785 1.00 40.04 N ATOM 287 CA LEU A 20 -1.277 12.565 -6.641 1.00 20.31 C ATOM 288 C LEU A 20 0.197 12.410 -7.065 1.00 54.42 C ATOM 289 O LEU A 20 0.557 11.418 -7.707 1.00 23.11 O ATOM 290 CB LEU A 20 -1.841 11.224 -6.090 1.00 22.03 C ATOM 291 CG LEU A 20 -1.255 10.734 -4.740 1.00 75.31 C ATOM 292 CD1 LEU A 20 -1.605 11.716 -3.617 1.00 24.13 C ATOM 293 CD2 LEU A 20 -1.743 9.309 -4.408 1.00 63.15 C ATOM 0 H LEU A 20 -2.632 12.251 -8.210 1.00 40.04 H new ATOM 0 HA LEU A 20 -1.325 13.315 -5.852 1.00 20.31 H new ATOM 0 HB2 LEU A 20 -2.920 11.328 -5.977 1.00 22.03 H new ATOM 0 HB3 LEU A 20 -1.672 10.449 -6.838 1.00 22.03 H new ATOM 0 HG LEU A 20 -0.170 10.695 -4.832 1.00 75.31 H new ATOM 0 HD11 LEU A 20 -1.186 11.357 -2.677 1.00 24.13 H new ATOM 0 HD12 LEU A 20 -1.189 12.697 -3.849 1.00 24.13 H new ATOM 0 HD13 LEU A 20 -2.688 11.793 -3.526 1.00 24.13 H new ATOM 0 HD21 LEU A 20 -1.317 8.991 -3.457 1.00 63.15 H new ATOM 0 HD22 LEU A 20 -2.831 9.304 -4.338 1.00 63.15 H new ATOM 0 HD23 LEU A 20 -1.427 8.624 -5.194 1.00 63.15 H new ATOM 305 N MET A 21 1.035 13.408 -6.742 1.00 41.12 N ATOM 306 CA MET A 21 2.487 13.336 -7.001 1.00 23.23 C ATOM 307 C MET A 21 3.197 12.894 -5.713 1.00 44.24 C ATOM 308 O MET A 21 3.468 13.713 -4.830 1.00 74.40 O ATOM 309 CB MET A 21 3.022 14.710 -7.500 1.00 12.23 C ATOM 310 CG MET A 21 4.524 14.737 -7.833 1.00 64.41 C ATOM 311 SD MET A 21 5.087 16.359 -8.397 1.00 4.20 S ATOM 312 CE MET A 21 6.838 16.061 -8.662 1.00 50.33 C ATOM 0 H MET A 21 0.734 14.277 -6.300 1.00 41.12 H new ATOM 0 HA MET A 21 2.688 12.607 -7.786 1.00 23.23 H new ATOM 0 HB2 MET A 21 2.462 15.001 -8.389 1.00 12.23 H new ATOM 0 HB3 MET A 21 2.820 15.461 -6.736 1.00 12.23 H new ATOM 0 HG2 MET A 21 5.093 14.447 -6.949 1.00 64.41 H new ATOM 0 HG3 MET A 21 4.734 13.996 -8.604 1.00 64.41 H new ATOM 0 HE1 MET A 21 7.314 16.977 -9.012 1.00 50.33 H new ATOM 0 HE2 MET A 21 7.299 15.747 -7.726 1.00 50.33 H new ATOM 0 HE3 MET A 21 6.965 15.278 -9.409 1.00 50.33 H new ATOM 322 N LEU A 22 3.485 11.584 -5.627 1.00 62.44 N ATOM 323 CA LEU A 22 4.136 10.973 -4.454 1.00 24.34 C ATOM 324 C LEU A 22 5.625 11.327 -4.436 1.00 3.12 C ATOM 325 O LEU A 22 6.303 11.236 -5.463 1.00 20.43 O ATOM 326 CB LEU A 22 3.921 9.434 -4.467 1.00 4.34 C ATOM 327 CG LEU A 22 2.431 8.965 -4.385 1.00 11.24 C ATOM 328 CD1 LEU A 22 2.292 7.457 -4.683 1.00 22.25 C ATOM 329 CD2 LEU A 22 1.814 9.322 -3.017 1.00 54.04 C ATOM 0 H LEU A 22 3.273 10.918 -6.370 1.00 62.44 H new ATOM 0 HA LEU A 22 3.685 11.369 -3.544 1.00 24.34 H new ATOM 0 HB2 LEU A 22 4.362 9.030 -5.378 1.00 4.34 H new ATOM 0 HB3 LEU A 22 4.467 9.001 -3.629 1.00 4.34 H new ATOM 0 HG LEU A 22 1.876 9.500 -5.155 1.00 11.24 H new ATOM 0 HD11 LEU A 22 1.243 7.168 -4.617 1.00 22.25 H new ATOM 0 HD12 LEU A 22 2.663 7.249 -5.687 1.00 22.25 H new ATOM 0 HD13 LEU A 22 2.872 6.888 -3.957 1.00 22.25 H new ATOM 0 HD21 LEU A 22 0.778 8.985 -2.986 1.00 54.04 H new ATOM 0 HD22 LEU A 22 2.379 8.832 -2.224 1.00 54.04 H new ATOM 0 HD23 LEU A 22 1.849 10.402 -2.873 1.00 54.04 H new ATOM 341 N VAL A 23 6.114 11.757 -3.268 1.00 54.04 N ATOM 342 CA VAL A 23 7.492 12.254 -3.087 1.00 42.11 C ATOM 343 C VAL A 23 8.187 11.459 -1.954 1.00 11.33 C ATOM 344 O VAL A 23 7.525 11.071 -0.983 1.00 3.55 O ATOM 345 CB VAL A 23 7.498 13.807 -2.785 1.00 41.44 C ATOM 346 CG1 VAL A 23 6.924 14.610 -3.975 1.00 22.44 C ATOM 347 CG2 VAL A 23 6.737 14.139 -1.491 1.00 31.13 C ATOM 0 H VAL A 23 5.563 11.772 -2.410 1.00 54.04 H new ATOM 0 HA VAL A 23 8.048 12.102 -4.012 1.00 42.11 H new ATOM 0 HB VAL A 23 8.538 14.101 -2.643 1.00 41.44 H new ATOM 0 HG11 VAL A 23 6.941 15.674 -3.738 1.00 22.44 H new ATOM 0 HG12 VAL A 23 7.529 14.426 -4.863 1.00 22.44 H new ATOM 0 HG13 VAL A 23 5.897 14.297 -4.164 1.00 22.44 H new ATOM 0 HG21 VAL A 23 6.764 15.215 -1.319 1.00 31.13 H new ATOM 0 HG22 VAL A 23 5.701 13.812 -1.584 1.00 31.13 H new ATOM 0 HG23 VAL A 23 7.205 13.625 -0.651 1.00 31.13 H new ATOM 357 N PRO A 24 9.523 11.178 -2.059 1.00 73.15 N ATOM 358 CA PRO A 24 10.240 10.381 -1.058 1.00 43.23 C ATOM 359 C PRO A 24 10.700 11.251 0.138 1.00 33.24 C ATOM 360 O PRO A 24 11.790 11.829 0.127 1.00 33.34 O ATOM 361 CB PRO A 24 11.423 9.770 -1.864 1.00 33.31 C ATOM 362 CG PRO A 24 11.530 10.565 -3.152 1.00 54.12 C ATOM 363 CD PRO A 24 10.447 11.631 -3.129 1.00 30.42 C ATOM 0 HA PRO A 24 9.625 9.610 -0.595 1.00 43.23 H new ATOM 0 HB2 PRO A 24 12.351 9.829 -1.295 1.00 33.31 H new ATOM 0 HB3 PRO A 24 11.244 8.715 -2.074 1.00 33.31 H new ATOM 0 HG2 PRO A 24 12.515 11.023 -3.238 1.00 54.12 H new ATOM 0 HG3 PRO A 24 11.405 9.912 -4.016 1.00 54.12 H new ATOM 0 HD2 PRO A 24 10.860 12.616 -2.910 1.00 30.42 H new ATOM 0 HD3 PRO A 24 9.939 11.705 -4.091 1.00 30.42 H new ATOM 371 N ASN A 25 9.822 11.362 1.146 1.00 64.13 N ATOM 372 CA ASN A 25 10.076 12.140 2.380 1.00 43.13 C ATOM 373 C ASN A 25 10.668 11.220 3.475 1.00 34.35 C ATOM 374 O ASN A 25 11.159 10.128 3.163 1.00 72.40 O ATOM 375 CB ASN A 25 8.753 12.795 2.869 1.00 2.34 C ATOM 376 CG ASN A 25 8.120 13.741 1.851 1.00 3.54 C ATOM 377 OD1 ASN A 25 8.807 14.370 1.043 1.00 52.12 O ATOM 378 ND2 ASN A 25 6.800 13.864 1.892 1.00 71.54 N ATOM 0 H ASN A 25 8.906 10.913 1.133 1.00 64.13 H new ATOM 0 HA ASN A 25 10.798 12.928 2.167 1.00 43.13 H new ATOM 0 HB2 ASN A 25 8.038 12.009 3.114 1.00 2.34 H new ATOM 0 HB3 ASN A 25 8.949 13.345 3.789 1.00 2.34 H new ATOM 0 HD21 ASN A 25 6.326 14.493 1.243 1.00 71.54 H new ATOM 0 HD22 ASN A 25 6.259 13.330 2.572 1.00 71.54 H new ATOM 385 N ARG A 26 10.632 11.682 4.749 1.00 72.45 N ATOM 386 CA ARG A 26 11.067 10.895 5.915 1.00 2.25 C ATOM 387 C ARG A 26 10.186 9.646 6.095 1.00 1.00 C ATOM 388 O ARG A 26 8.980 9.756 6.355 1.00 13.54 O ATOM 389 CB ARG A 26 11.064 11.755 7.225 1.00 41.31 C ATOM 390 CG ARG A 26 12.250 12.735 7.372 1.00 4.44 C ATOM 391 CD ARG A 26 13.615 12.018 7.305 1.00 35.24 C ATOM 392 NE ARG A 26 13.674 10.855 8.217 1.00 55.22 N ATOM 393 CZ ARG A 26 14.270 9.678 7.949 1.00 34.32 C ATOM 394 NH1 ARG A 26 14.886 9.464 6.789 1.00 44.22 N ATOM 395 NH2 ARG A 26 14.194 8.698 8.832 1.00 42.35 N ATOM 0 H ARG A 26 10.298 12.615 4.991 1.00 72.45 H new ATOM 0 HA ARG A 26 12.092 10.575 5.725 1.00 2.25 H new ATOM 0 HB2 ARG A 26 10.136 12.325 7.264 1.00 41.31 H new ATOM 0 HB3 ARG A 26 11.061 11.082 8.082 1.00 41.31 H new ATOM 0 HG2 ARG A 26 12.198 13.486 6.584 1.00 4.44 H new ATOM 0 HG3 ARG A 26 12.166 13.263 8.322 1.00 4.44 H new ATOM 0 HD2 ARG A 26 13.801 11.688 6.283 1.00 35.24 H new ATOM 0 HD3 ARG A 26 14.407 12.721 7.562 1.00 35.24 H new ATOM 0 HE ARG A 26 13.224 10.953 9.127 1.00 55.22 H new ATOM 0 HH11 ARG A 26 14.913 10.199 6.083 1.00 44.22 H new ATOM 0 HH12 ARG A 26 15.331 8.565 6.606 1.00 44.22 H new ATOM 0 HH21 ARG A 26 13.687 8.837 9.706 1.00 42.35 H new ATOM 0 HH22 ARG A 26 14.642 7.802 8.639 1.00 42.35 H new ATOM 409 N GLN A 27 10.826 8.476 5.951 1.00 35.51 N ATOM 410 CA GLN A 27 10.186 7.159 6.074 1.00 33.32 C ATOM 411 C GLN A 27 9.545 6.966 7.467 1.00 63.53 C ATOM 412 O GLN A 27 10.142 7.322 8.494 1.00 52.10 O ATOM 413 CB GLN A 27 11.230 6.040 5.777 1.00 35.23 C ATOM 414 CG GLN A 27 12.503 6.065 6.645 1.00 24.52 C ATOM 415 CD GLN A 27 13.503 4.966 6.263 1.00 11.02 C ATOM 416 OE1 GLN A 27 14.375 5.174 5.413 1.00 3.43 O ATOM 417 NE2 GLN A 27 13.373 3.792 6.872 1.00 61.00 N ATOM 0 H GLN A 27 11.823 8.418 5.742 1.00 35.51 H new ATOM 0 HA GLN A 27 9.380 7.096 5.342 1.00 33.32 H new ATOM 0 HB2 GLN A 27 10.744 5.073 5.905 1.00 35.23 H new ATOM 0 HB3 GLN A 27 11.525 6.113 4.730 1.00 35.23 H new ATOM 0 HG2 GLN A 27 12.985 7.038 6.548 1.00 24.52 H new ATOM 0 HG3 GLN A 27 12.226 5.950 7.693 1.00 24.52 H new ATOM 0 HE21 GLN A 27 12.641 3.657 7.569 1.00 61.00 H new ATOM 0 HE22 GLN A 27 14.006 3.026 6.642 1.00 61.00 H new ATOM 426 N LEU A 28 8.316 6.432 7.487 1.00 13.23 N ATOM 427 CA LEU A 28 7.585 6.158 8.735 1.00 41.12 C ATOM 428 C LEU A 28 8.078 4.837 9.343 1.00 75.40 C ATOM 429 O LEU A 28 8.481 3.926 8.608 1.00 61.23 O ATOM 430 CB LEU A 28 6.055 6.087 8.473 1.00 44.20 C ATOM 431 CG LEU A 28 5.413 7.277 7.695 1.00 43.44 C ATOM 432 CD1 LEU A 28 3.895 7.080 7.586 1.00 34.20 C ATOM 433 CD2 LEU A 28 5.751 8.641 8.328 1.00 4.02 C ATOM 0 H LEU A 28 7.801 6.178 6.644 1.00 13.23 H new ATOM 0 HA LEU A 28 7.774 6.971 9.436 1.00 41.12 H new ATOM 0 HB2 LEU A 28 5.848 5.170 7.921 1.00 44.20 H new ATOM 0 HB3 LEU A 28 5.550 6.000 9.435 1.00 44.20 H new ATOM 0 HG LEU A 28 5.841 7.284 6.693 1.00 43.44 H new ATOM 0 HD11 LEU A 28 3.458 7.917 7.041 1.00 34.20 H new ATOM 0 HD12 LEU A 28 3.686 6.152 7.054 1.00 34.20 H new ATOM 0 HD13 LEU A 28 3.462 7.032 8.585 1.00 34.20 H new ATOM 0 HD21 LEU A 28 5.281 9.437 7.750 1.00 4.02 H new ATOM 0 HD22 LEU A 28 5.380 8.669 9.352 1.00 4.02 H new ATOM 0 HD23 LEU A 28 6.832 8.784 8.330 1.00 4.02 H new ATOM 445 N THR A 29 8.055 4.751 10.677 1.00 54.14 N ATOM 446 CA THR A 29 8.347 3.507 11.410 1.00 34.12 C ATOM 447 C THR A 29 7.094 2.611 11.430 1.00 23.32 C ATOM 448 O THR A 29 5.980 3.106 11.221 1.00 43.32 O ATOM 449 CB THR A 29 8.805 3.813 12.876 1.00 44.33 C ATOM 450 OG1 THR A 29 7.793 4.559 13.570 1.00 75.24 O ATOM 451 CG2 THR A 29 10.126 4.601 12.909 1.00 33.11 C ATOM 0 H THR A 29 7.834 5.541 11.283 1.00 54.14 H new ATOM 0 HA THR A 29 9.159 2.989 10.900 1.00 34.12 H new ATOM 0 HB THR A 29 8.964 2.855 13.370 1.00 44.33 H new ATOM 0 HG1 THR A 29 8.091 4.742 14.485 1.00 75.24 H new ATOM 0 HG21 THR A 29 10.409 4.793 13.944 1.00 33.11 H new ATOM 0 HG22 THR A 29 10.908 4.020 12.420 1.00 33.11 H new ATOM 0 HG23 THR A 29 9.998 5.549 12.386 1.00 33.11 H new ATOM 459 N ALA A 30 7.291 1.303 11.668 1.00 62.44 N ATOM 460 CA ALA A 30 6.195 0.320 11.758 1.00 52.00 C ATOM 461 C ALA A 30 5.270 0.597 12.954 1.00 72.42 C ATOM 462 O ALA A 30 4.061 0.361 12.871 1.00 64.32 O ATOM 463 CB ALA A 30 6.759 -1.107 11.812 1.00 25.43 C ATOM 0 H ALA A 30 8.216 0.896 11.804 1.00 62.44 H new ATOM 0 HA ALA A 30 5.587 0.419 10.859 1.00 52.00 H new ATOM 0 HB1 ALA A 30 5.938 -1.821 11.878 1.00 25.43 H new ATOM 0 HB2 ALA A 30 7.339 -1.304 10.910 1.00 25.43 H new ATOM 0 HB3 ALA A 30 7.402 -1.211 12.686 1.00 25.43 H new ATOM 469 N ASP A 31 5.854 1.106 14.055 1.00 64.43 N ATOM 470 CA ASP A 31 5.098 1.541 15.245 1.00 41.11 C ATOM 471 C ASP A 31 4.163 2.720 14.903 1.00 72.32 C ATOM 472 O ASP A 31 2.975 2.713 15.264 1.00 75.20 O ATOM 473 CB ASP A 31 6.068 1.965 16.377 1.00 54.11 C ATOM 474 CG ASP A 31 7.027 0.847 16.823 1.00 50.53 C ATOM 475 OD1 ASP A 31 8.121 0.714 16.227 1.00 14.30 O ATOM 476 OD2 ASP A 31 6.692 0.098 17.767 1.00 52.44 O ATOM 0 H ASP A 31 6.863 1.227 14.145 1.00 64.43 H new ATOM 0 HA ASP A 31 4.494 0.699 15.583 1.00 41.11 H new ATOM 0 HB2 ASP A 31 6.654 2.820 16.040 1.00 54.11 H new ATOM 0 HB3 ASP A 31 5.486 2.296 17.237 1.00 54.11 H new ATOM 481 N TYR A 32 4.721 3.720 14.194 1.00 4.14 N ATOM 482 CA TYR A 32 4.001 4.947 13.814 1.00 52.02 C ATOM 483 C TYR A 32 2.892 4.637 12.805 1.00 44.22 C ATOM 484 O TYR A 32 1.789 5.187 12.899 1.00 60.33 O ATOM 485 CB TYR A 32 4.976 5.983 13.210 1.00 60.52 C ATOM 486 CG TYR A 32 4.348 7.348 12.916 1.00 21.14 C ATOM 487 CD1 TYR A 32 4.005 8.208 13.959 1.00 54.02 C ATOM 488 CD2 TYR A 32 4.098 7.781 11.608 1.00 4.23 C ATOM 489 CE1 TYR A 32 3.437 9.439 13.712 1.00 2.04 C ATOM 490 CE2 TYR A 32 3.530 9.016 11.359 1.00 53.40 C ATOM 491 CZ TYR A 32 3.205 9.842 12.412 1.00 54.52 C ATOM 492 OH TYR A 32 2.635 11.073 12.164 1.00 15.01 O ATOM 0 H TYR A 32 5.687 3.698 13.868 1.00 4.14 H new ATOM 0 HA TYR A 32 3.551 5.363 14.715 1.00 52.02 H new ATOM 0 HB2 TYR A 32 5.811 6.121 13.897 1.00 60.52 H new ATOM 0 HB3 TYR A 32 5.388 5.580 12.285 1.00 60.52 H new ATOM 0 HD1 TYR A 32 4.188 7.904 14.979 1.00 54.02 H new ATOM 0 HD2 TYR A 32 4.354 7.138 10.779 1.00 4.23 H new ATOM 0 HE1 TYR A 32 3.174 10.088 14.534 1.00 2.04 H new ATOM 0 HE2 TYR A 32 3.342 9.332 10.344 1.00 53.40 H new ATOM 0 HH TYR A 32 2.542 11.201 11.197 1.00 15.01 H new ATOM 502 N PHE A 33 3.222 3.766 11.836 1.00 71.14 N ATOM 503 CA PHE A 33 2.276 3.322 10.806 1.00 35.12 C ATOM 504 C PHE A 33 1.071 2.631 11.463 1.00 15.03 C ATOM 505 O PHE A 33 -0.068 2.957 11.150 1.00 60.14 O ATOM 506 CB PHE A 33 2.948 2.348 9.803 1.00 53.42 C ATOM 507 CG PHE A 33 2.000 1.826 8.714 1.00 54.25 C ATOM 508 CD1 PHE A 33 1.237 0.664 8.903 1.00 25.15 C ATOM 509 CD2 PHE A 33 1.848 2.507 7.511 1.00 32.01 C ATOM 510 CE1 PHE A 33 0.355 0.228 7.938 1.00 50.14 C ATOM 511 CE2 PHE A 33 0.973 2.054 6.546 1.00 34.34 C ATOM 512 CZ PHE A 33 0.229 0.915 6.754 1.00 33.41 C ATOM 0 H PHE A 33 4.150 3.353 11.748 1.00 71.14 H new ATOM 0 HA PHE A 33 1.942 4.203 10.257 1.00 35.12 H new ATOM 0 HB2 PHE A 33 3.788 2.854 9.328 1.00 53.42 H new ATOM 0 HB3 PHE A 33 3.356 1.500 10.353 1.00 53.42 H new ATOM 0 HD1 PHE A 33 1.342 0.102 9.819 1.00 25.15 H new ATOM 0 HD2 PHE A 33 2.423 3.403 7.330 1.00 32.01 H new ATOM 0 HE1 PHE A 33 -0.239 -0.657 8.113 1.00 50.14 H new ATOM 0 HE2 PHE A 33 0.871 2.598 5.619 1.00 34.34 H new ATOM 0 HZ PHE A 33 -0.450 0.563 5.991 1.00 33.41 H new ATOM 522 N GLU A 34 1.367 1.668 12.368 1.00 44.33 N ATOM 523 CA GLU A 34 0.356 0.863 13.081 1.00 51.53 C ATOM 524 C GLU A 34 -0.552 1.766 13.937 1.00 11.44 C ATOM 525 O GLU A 34 -1.767 1.550 14.006 1.00 62.44 O ATOM 526 CB GLU A 34 1.060 -0.196 13.977 1.00 41.35 C ATOM 527 CG GLU A 34 0.110 -1.161 14.719 1.00 34.25 C ATOM 528 CD GLU A 34 0.849 -2.090 15.695 1.00 75.12 C ATOM 529 OE1 GLU A 34 1.489 -3.066 15.239 1.00 53.50 O ATOM 530 OE2 GLU A 34 0.807 -1.838 16.920 1.00 11.52 O ATOM 0 H GLU A 34 2.325 1.429 12.624 1.00 44.33 H new ATOM 0 HA GLU A 34 -0.265 0.352 12.346 1.00 51.53 H new ATOM 0 HB2 GLU A 34 1.737 -0.783 13.356 1.00 41.35 H new ATOM 0 HB3 GLU A 34 1.673 0.323 14.713 1.00 41.35 H new ATOM 0 HG2 GLU A 34 -0.633 -0.582 15.268 1.00 34.25 H new ATOM 0 HG3 GLU A 34 -0.431 -1.764 13.989 1.00 34.25 H new ATOM 537 N LYS A 35 0.066 2.795 14.552 1.00 25.01 N ATOM 538 CA LYS A 35 -0.644 3.810 15.349 1.00 3.22 C ATOM 539 C LYS A 35 -1.676 4.559 14.475 1.00 70.21 C ATOM 540 O LYS A 35 -2.866 4.588 14.797 1.00 13.45 O ATOM 541 CB LYS A 35 0.379 4.815 15.962 1.00 50.15 C ATOM 542 CG LYS A 35 -0.263 6.040 16.656 1.00 44.43 C ATOM 543 CD LYS A 35 0.769 7.086 17.141 1.00 24.40 C ATOM 544 CE LYS A 35 1.638 6.570 18.292 1.00 25.52 C ATOM 545 NZ LYS A 35 0.821 6.236 19.490 1.00 54.33 N ATOM 0 H LYS A 35 1.074 2.944 14.508 1.00 25.01 H new ATOM 0 HA LYS A 35 -1.178 3.311 16.158 1.00 3.22 H new ATOM 0 HB2 LYS A 35 0.999 4.287 16.686 1.00 50.15 H new ATOM 0 HB3 LYS A 35 1.042 5.167 15.171 1.00 50.15 H new ATOM 0 HG2 LYS A 35 -0.955 6.519 15.963 1.00 44.43 H new ATOM 0 HG3 LYS A 35 -0.850 5.698 17.508 1.00 44.43 H new ATOM 0 HD2 LYS A 35 1.410 7.371 16.307 1.00 24.40 H new ATOM 0 HD3 LYS A 35 0.244 7.986 17.462 1.00 24.40 H new ATOM 0 HE2 LYS A 35 2.186 5.686 17.967 1.00 25.52 H new ATOM 0 HE3 LYS A 35 2.379 7.325 18.555 1.00 25.52 H new ATOM 0 HZ1 LYS A 35 1.446 6.103 20.311 1.00 54.33 H new ATOM 0 HZ2 LYS A 35 0.155 7.011 19.684 1.00 54.33 H new ATOM 0 HZ3 LYS A 35 0.290 5.359 19.314 1.00 54.33 H new ATOM 559 N THR A 36 -1.196 5.089 13.337 1.00 54.04 N ATOM 560 CA THR A 36 -2.009 5.896 12.408 1.00 50.55 C ATOM 561 C THR A 36 -3.071 5.013 11.707 1.00 42.14 C ATOM 562 O THR A 36 -4.179 5.474 11.393 1.00 54.23 O ATOM 563 CB THR A 36 -1.082 6.609 11.358 1.00 43.43 C ATOM 564 OG1 THR A 36 -0.038 7.320 12.051 1.00 73.14 O ATOM 565 CG2 THR A 36 -1.844 7.602 10.455 1.00 11.41 C ATOM 0 H THR A 36 -0.230 4.970 13.034 1.00 54.04 H new ATOM 0 HA THR A 36 -2.536 6.663 12.975 1.00 50.55 H new ATOM 0 HB THR A 36 -0.673 5.830 10.715 1.00 43.43 H new ATOM 0 HG1 THR A 36 0.622 6.681 12.392 1.00 73.14 H new ATOM 0 HG21 THR A 36 -1.149 8.061 9.752 1.00 11.41 H new ATOM 0 HG22 THR A 36 -2.620 7.071 9.904 1.00 11.41 H new ATOM 0 HG23 THR A 36 -2.302 8.376 11.071 1.00 11.41 H new ATOM 573 N TRP A 37 -2.718 3.722 11.513 1.00 72.23 N ATOM 574 CA TRP A 37 -3.589 2.707 10.898 1.00 64.02 C ATOM 575 C TRP A 37 -4.855 2.517 11.737 1.00 22.04 C ATOM 576 O TRP A 37 -5.968 2.615 11.223 1.00 2.10 O ATOM 577 CB TRP A 37 -2.808 1.361 10.749 1.00 71.11 C ATOM 578 CG TRP A 37 -3.598 0.245 10.097 1.00 62.31 C ATOM 579 CD1 TRP A 37 -4.308 -0.748 10.720 1.00 45.41 C ATOM 580 CD2 TRP A 37 -3.769 0.023 8.693 1.00 30.42 C ATOM 581 NE1 TRP A 37 -4.921 -1.541 9.788 1.00 63.13 N ATOM 582 CE2 TRP A 37 -4.600 -1.095 8.538 1.00 42.13 C ATOM 583 CE3 TRP A 37 -3.303 0.671 7.553 1.00 13.45 C ATOM 584 CZ2 TRP A 37 -4.977 -1.576 7.288 1.00 73.10 C ATOM 585 CZ3 TRP A 37 -3.671 0.194 6.314 1.00 64.40 C ATOM 586 CH2 TRP A 37 -4.503 -0.918 6.190 1.00 65.35 C ATOM 0 H TRP A 37 -1.806 3.356 11.785 1.00 72.23 H new ATOM 0 HA TRP A 37 -3.890 3.044 9.906 1.00 64.02 H new ATOM 0 HB2 TRP A 37 -1.907 1.541 10.163 1.00 71.11 H new ATOM 0 HB3 TRP A 37 -2.485 1.032 11.737 1.00 71.11 H new ATOM 0 HD1 TRP A 37 -4.374 -0.885 11.789 1.00 45.41 H new ATOM 0 HE1 TRP A 37 -5.522 -2.339 9.994 1.00 63.13 H new ATOM 0 HE3 TRP A 37 -2.662 1.536 7.638 1.00 13.45 H new ATOM 0 HZ2 TRP A 37 -5.621 -2.438 7.190 1.00 73.10 H new ATOM 0 HZ3 TRP A 37 -3.309 0.689 5.425 1.00 64.40 H new ATOM 0 HH2 TRP A 37 -4.778 -1.266 5.205 1.00 65.35 H new ATOM 597 N LEU A 38 -4.657 2.276 13.039 1.00 24.43 N ATOM 598 CA LEU A 38 -5.754 2.053 13.994 1.00 10.33 C ATOM 599 C LEU A 38 -6.510 3.372 14.296 1.00 30.12 C ATOM 600 O LEU A 38 -7.687 3.343 14.671 1.00 55.54 O ATOM 601 CB LEU A 38 -5.184 1.395 15.285 1.00 43.04 C ATOM 602 CG LEU A 38 -4.459 0.018 15.074 1.00 13.54 C ATOM 603 CD1 LEU A 38 -3.823 -0.503 16.381 1.00 12.13 C ATOM 604 CD2 LEU A 38 -5.406 -1.038 14.457 1.00 11.32 C ATOM 0 H LEU A 38 -3.730 2.230 13.463 1.00 24.43 H new ATOM 0 HA LEU A 38 -6.485 1.374 13.555 1.00 10.33 H new ATOM 0 HB2 LEU A 38 -4.482 2.089 15.747 1.00 43.04 H new ATOM 0 HB3 LEU A 38 -6.002 1.252 15.991 1.00 43.04 H new ATOM 0 HG LEU A 38 -3.651 0.193 14.364 1.00 13.54 H new ATOM 0 HD11 LEU A 38 -3.332 -1.457 16.191 1.00 12.13 H new ATOM 0 HD12 LEU A 38 -3.089 0.218 16.741 1.00 12.13 H new ATOM 0 HD13 LEU A 38 -4.599 -0.638 17.135 1.00 12.13 H new ATOM 0 HD21 LEU A 38 -4.868 -1.977 14.326 1.00 11.32 H new ATOM 0 HD22 LEU A 38 -6.256 -1.196 15.121 1.00 11.32 H new ATOM 0 HD23 LEU A 38 -5.762 -0.686 13.489 1.00 11.32 H new ATOM 616 N SER A 39 -5.826 4.523 14.110 1.00 34.14 N ATOM 617 CA SER A 39 -6.433 5.865 14.277 1.00 32.35 C ATOM 618 C SER A 39 -7.316 6.272 13.067 1.00 1.31 C ATOM 619 O SER A 39 -8.137 7.189 13.184 1.00 41.11 O ATOM 620 CB SER A 39 -5.330 6.922 14.510 1.00 65.44 C ATOM 621 OG SER A 39 -4.564 6.635 15.668 1.00 41.42 O ATOM 0 H SER A 39 -4.842 4.550 13.841 1.00 34.14 H new ATOM 0 HA SER A 39 -7.085 5.817 15.149 1.00 32.35 H new ATOM 0 HB2 SER A 39 -4.674 6.961 13.640 1.00 65.44 H new ATOM 0 HB3 SER A 39 -5.786 7.907 14.610 1.00 65.44 H new ATOM 0 HG SER A 39 -3.927 5.917 15.469 1.00 41.42 H new ATOM 627 N LEU A 40 -7.147 5.600 11.907 1.00 72.42 N ATOM 628 CA LEU A 40 -7.952 5.856 10.687 1.00 43.04 C ATOM 629 C LEU A 40 -8.807 4.626 10.358 1.00 14.33 C ATOM 630 O LEU A 40 -8.562 3.525 10.872 1.00 1.33 O ATOM 631 CB LEU A 40 -7.022 6.196 9.483 1.00 31.04 C ATOM 632 CG LEU A 40 -6.251 7.546 9.579 1.00 24.14 C ATOM 633 CD1 LEU A 40 -5.184 7.657 8.483 1.00 25.13 C ATOM 634 CD2 LEU A 40 -7.212 8.755 9.540 1.00 54.11 C ATOM 0 H LEU A 40 -6.450 4.865 11.788 1.00 72.42 H new ATOM 0 HA LEU A 40 -8.607 6.708 10.872 1.00 43.04 H new ATOM 0 HB2 LEU A 40 -6.295 5.392 9.372 1.00 31.04 H new ATOM 0 HB3 LEU A 40 -7.625 6.208 8.575 1.00 31.04 H new ATOM 0 HG LEU A 40 -5.744 7.560 10.544 1.00 24.14 H new ATOM 0 HD11 LEU A 40 -4.664 8.610 8.577 1.00 25.13 H new ATOM 0 HD12 LEU A 40 -4.469 6.841 8.588 1.00 25.13 H new ATOM 0 HD13 LEU A 40 -5.660 7.599 7.504 1.00 25.13 H new ATOM 0 HD21 LEU A 40 -6.638 9.679 9.609 1.00 54.11 H new ATOM 0 HD22 LEU A 40 -7.772 8.745 8.605 1.00 54.11 H new ATOM 0 HD23 LEU A 40 -7.906 8.695 10.379 1.00 54.11 H new ATOM 646 N LYS A 41 -9.809 4.817 9.489 1.00 71.11 N ATOM 647 CA LYS A 41 -10.697 3.739 9.010 1.00 64.41 C ATOM 648 C LYS A 41 -10.529 3.575 7.493 1.00 70.05 C ATOM 649 O LYS A 41 -10.162 4.538 6.813 1.00 1.04 O ATOM 650 CB LYS A 41 -12.175 4.040 9.393 1.00 11.34 C ATOM 651 CG LYS A 41 -12.413 4.178 10.919 1.00 41.24 C ATOM 652 CD LYS A 41 -12.077 2.881 11.698 1.00 45.33 C ATOM 653 CE LYS A 41 -12.071 3.081 13.227 1.00 21.14 C ATOM 654 NZ LYS A 41 -13.366 3.599 13.746 1.00 32.14 N ATOM 0 H LYS A 41 -10.031 5.730 9.093 1.00 71.11 H new ATOM 0 HA LYS A 41 -10.422 2.800 9.490 1.00 64.41 H new ATOM 0 HB2 LYS A 41 -12.487 4.962 8.902 1.00 11.34 H new ATOM 0 HB3 LYS A 41 -12.810 3.242 9.007 1.00 11.34 H new ATOM 0 HG2 LYS A 41 -11.805 4.996 11.305 1.00 41.24 H new ATOM 0 HG3 LYS A 41 -13.455 4.444 11.097 1.00 41.24 H new ATOM 0 HD2 LYS A 41 -12.804 2.111 11.441 1.00 45.33 H new ATOM 0 HD3 LYS A 41 -11.100 2.516 11.381 1.00 45.33 H new ATOM 0 HE2 LYS A 41 -11.844 2.132 13.712 1.00 21.14 H new ATOM 0 HE3 LYS A 41 -11.274 3.774 13.495 1.00 21.14 H new ATOM 0 HZ1 LYS A 41 -13.305 3.714 14.778 1.00 32.14 H new ATOM 0 HZ2 LYS A 41 -13.573 4.518 13.306 1.00 32.14 H new ATOM 0 HZ3 LYS A 41 -14.126 2.927 13.517 1.00 32.14 H new ATOM 668 N VAL A 42 -10.771 2.353 6.983 1.00 32.35 N ATOM 669 CA VAL A 42 -10.598 2.013 5.558 1.00 60.11 C ATOM 670 C VAL A 42 -11.493 2.905 4.664 1.00 70.23 C ATOM 671 O VAL A 42 -12.718 2.902 4.806 1.00 22.44 O ATOM 672 CB VAL A 42 -10.901 0.481 5.302 1.00 32.24 C ATOM 673 CG1 VAL A 42 -10.735 0.087 3.819 1.00 30.42 C ATOM 674 CG2 VAL A 42 -10.008 -0.407 6.197 1.00 74.54 C ATOM 0 H VAL A 42 -11.094 1.570 7.551 1.00 32.35 H new ATOM 0 HA VAL A 42 -9.558 2.202 5.292 1.00 60.11 H new ATOM 0 HB VAL A 42 -11.946 0.316 5.564 1.00 32.24 H new ATOM 0 HG11 VAL A 42 -10.954 -0.974 3.698 1.00 30.42 H new ATOM 0 HG12 VAL A 42 -11.422 0.672 3.208 1.00 30.42 H new ATOM 0 HG13 VAL A 42 -9.711 0.284 3.503 1.00 30.42 H new ATOM 0 HG21 VAL A 42 -10.231 -1.457 6.006 1.00 74.54 H new ATOM 0 HG22 VAL A 42 -8.959 -0.212 5.972 1.00 74.54 H new ATOM 0 HG23 VAL A 42 -10.202 -0.179 7.245 1.00 74.54 H new ATOM 684 N ALA A 43 -10.849 3.666 3.764 1.00 14.33 N ATOM 685 CA ALA A 43 -11.529 4.582 2.823 1.00 1.30 C ATOM 686 C ALA A 43 -11.988 3.806 1.576 1.00 73.13 C ATOM 687 O ALA A 43 -13.075 4.045 1.038 1.00 73.23 O ATOM 688 CB ALA A 43 -10.589 5.733 2.436 1.00 33.04 C ATOM 0 H ALA A 43 -9.834 3.665 3.665 1.00 14.33 H new ATOM 0 HA ALA A 43 -12.408 5.007 3.307 1.00 1.30 H new ATOM 0 HB1 ALA A 43 -11.099 6.402 1.743 1.00 33.04 H new ATOM 0 HB2 ALA A 43 -10.304 6.286 3.331 1.00 33.04 H new ATOM 0 HB3 ALA A 43 -9.696 5.329 1.959 1.00 33.04 H new ATOM 694 N HIS A 44 -11.133 2.869 1.144 1.00 11.41 N ATOM 695 CA HIS A 44 -11.412 1.960 0.025 1.00 2.22 C ATOM 696 C HIS A 44 -10.696 0.624 0.268 1.00 51.23 C ATOM 697 O HIS A 44 -9.590 0.604 0.801 1.00 41.14 O ATOM 698 CB HIS A 44 -10.937 2.585 -1.319 1.00 71.31 C ATOM 699 CG HIS A 44 -11.260 1.749 -2.544 1.00 63.03 C ATOM 700 ND1 HIS A 44 -12.452 1.893 -3.202 1.00 74.12 N ATOM 701 CD2 HIS A 44 -10.529 0.779 -3.171 1.00 23.23 C ATOM 702 CE1 HIS A 44 -12.432 1.027 -4.196 1.00 11.11 C ATOM 703 NE2 HIS A 44 -11.287 0.329 -4.219 1.00 40.14 N ATOM 0 H HIS A 44 -10.217 2.720 1.567 1.00 11.41 H new ATOM 0 HA HIS A 44 -12.487 1.792 -0.039 1.00 2.22 H new ATOM 0 HB2 HIS A 44 -11.396 3.567 -1.432 1.00 71.31 H new ATOM 0 HB3 HIS A 44 -9.859 2.740 -1.273 1.00 71.31 H new ATOM 0 HD1 HIS A 44 -13.205 2.541 -2.970 1.00 74.12 H new ATOM 0 HD2 HIS A 44 -9.544 0.434 -2.893 1.00 23.23 H new ATOM 0 HE1 HIS A 44 -13.237 0.896 -4.904 1.00 11.11 H new ATOM 711 N GLN A 45 -11.323 -0.483 -0.143 1.00 11.14 N ATOM 712 CA GLN A 45 -10.701 -1.812 -0.105 1.00 4.11 C ATOM 713 C GLN A 45 -11.054 -2.550 -1.398 1.00 52.35 C ATOM 714 O GLN A 45 -12.222 -2.595 -1.799 1.00 32.42 O ATOM 715 CB GLN A 45 -11.133 -2.640 1.140 1.00 53.35 C ATOM 716 CG GLN A 45 -10.442 -4.023 1.224 1.00 62.13 C ATOM 717 CD GLN A 45 -10.887 -4.889 2.397 1.00 61.10 C ATOM 718 OE1 GLN A 45 -12.036 -4.834 2.843 1.00 64.23 O ATOM 719 NE2 GLN A 45 -9.972 -5.689 2.911 1.00 13.05 N ATOM 0 H GLN A 45 -12.274 -0.484 -0.511 1.00 11.14 H new ATOM 0 HA GLN A 45 -9.621 -1.686 -0.023 1.00 4.11 H new ATOM 0 HB2 GLN A 45 -10.906 -2.072 2.042 1.00 53.35 H new ATOM 0 HB3 GLN A 45 -12.213 -2.782 1.117 1.00 53.35 H new ATOM 0 HG2 GLN A 45 -10.632 -4.565 0.298 1.00 62.13 H new ATOM 0 HG3 GLN A 45 -9.365 -3.872 1.290 1.00 62.13 H new ATOM 0 HE21 GLN A 45 -9.032 -5.708 2.516 1.00 13.05 H new ATOM 0 HE22 GLN A 45 -10.205 -6.288 3.703 1.00 13.05 H new ATOM 728 N GLN A 46 -10.037 -3.115 -2.040 1.00 62.03 N ATOM 729 CA GLN A 46 -10.145 -3.774 -3.345 1.00 72.03 C ATOM 730 C GLN A 46 -9.398 -5.112 -3.301 1.00 31.01 C ATOM 731 O GLN A 46 -8.306 -5.181 -2.747 1.00 72.04 O ATOM 732 CB GLN A 46 -9.527 -2.824 -4.405 1.00 71.25 C ATOM 733 CG GLN A 46 -9.495 -3.364 -5.841 1.00 60.05 C ATOM 734 CD GLN A 46 -8.811 -2.385 -6.799 1.00 30.42 C ATOM 735 OE1 GLN A 46 -9.459 -1.534 -7.395 1.00 70.03 O ATOM 736 NE2 GLN A 46 -7.497 -2.481 -6.929 1.00 53.31 N ATOM 0 H GLN A 46 -9.090 -3.130 -1.661 1.00 62.03 H new ATOM 0 HA GLN A 46 -11.185 -3.979 -3.601 1.00 72.03 H new ATOM 0 HB2 GLN A 46 -10.088 -1.889 -4.400 1.00 71.25 H new ATOM 0 HB3 GLN A 46 -8.507 -2.586 -4.103 1.00 71.25 H new ATOM 0 HG2 GLN A 46 -8.969 -4.318 -5.859 1.00 60.05 H new ATOM 0 HG3 GLN A 46 -10.513 -3.555 -6.181 1.00 60.05 H new ATOM 0 HE21 GLN A 46 -6.985 -3.201 -6.419 1.00 53.31 H new ATOM 0 HE22 GLN A 46 -6.996 -1.835 -7.539 1.00 53.31 H new ATOM 745 N VAL A 47 -9.995 -6.171 -3.862 1.00 22.12 N ATOM 746 CA VAL A 47 -9.349 -7.493 -3.981 1.00 44.02 C ATOM 747 C VAL A 47 -8.872 -7.692 -5.433 1.00 34.43 C ATOM 748 O VAL A 47 -9.640 -7.465 -6.376 1.00 4.55 O ATOM 749 CB VAL A 47 -10.332 -8.653 -3.535 1.00 44.41 C ATOM 750 CG1 VAL A 47 -9.673 -10.051 -3.644 1.00 31.10 C ATOM 751 CG2 VAL A 47 -10.856 -8.405 -2.098 1.00 13.22 C ATOM 0 H VAL A 47 -10.939 -6.140 -4.247 1.00 22.12 H new ATOM 0 HA VAL A 47 -8.488 -7.533 -3.314 1.00 44.02 H new ATOM 0 HB VAL A 47 -11.178 -8.641 -4.223 1.00 44.41 H new ATOM 0 HG11 VAL A 47 -10.384 -10.814 -3.328 1.00 31.10 H new ATOM 0 HG12 VAL A 47 -9.379 -10.235 -4.677 1.00 31.10 H new ATOM 0 HG13 VAL A 47 -8.792 -10.089 -3.004 1.00 31.10 H new ATOM 0 HG21 VAL A 47 -11.529 -9.213 -1.812 1.00 13.22 H new ATOM 0 HG22 VAL A 47 -10.015 -8.370 -1.405 1.00 13.22 H new ATOM 0 HG23 VAL A 47 -11.393 -7.457 -2.065 1.00 13.22 H new ATOM 761 N LEU A 48 -7.601 -8.105 -5.608 1.00 14.22 N ATOM 762 CA LEU A 48 -6.952 -8.287 -6.926 1.00 53.31 C ATOM 763 C LEU A 48 -6.417 -9.720 -7.057 1.00 24.41 C ATOM 764 O LEU A 48 -5.936 -10.266 -6.074 1.00 31.43 O ATOM 765 CB LEU A 48 -5.780 -7.276 -7.089 1.00 62.35 C ATOM 766 CG LEU A 48 -6.204 -5.789 -7.248 1.00 53.41 C ATOM 767 CD1 LEU A 48 -4.983 -4.846 -7.234 1.00 55.34 C ATOM 768 CD2 LEU A 48 -7.052 -5.609 -8.525 1.00 62.52 C ATOM 0 H LEU A 48 -6.985 -8.326 -4.826 1.00 14.22 H new ATOM 0 HA LEU A 48 -7.691 -8.108 -7.707 1.00 53.31 H new ATOM 0 HB2 LEU A 48 -5.126 -7.360 -6.221 1.00 62.35 H new ATOM 0 HB3 LEU A 48 -5.192 -7.564 -7.960 1.00 62.35 H new ATOM 0 HG LEU A 48 -6.820 -5.515 -6.391 1.00 53.41 H new ATOM 0 HD11 LEU A 48 -5.318 -3.815 -7.347 1.00 55.34 H new ATOM 0 HD12 LEU A 48 -4.452 -4.953 -6.288 1.00 55.34 H new ATOM 0 HD13 LEU A 48 -4.315 -5.103 -8.056 1.00 55.34 H new ATOM 0 HD21 LEU A 48 -7.342 -4.563 -8.624 1.00 62.52 H new ATOM 0 HD22 LEU A 48 -6.467 -5.908 -9.395 1.00 62.52 H new ATOM 0 HD23 LEU A 48 -7.946 -6.229 -8.458 1.00 62.52 H new ATOM 780 N PRO A 49 -6.471 -10.354 -8.270 1.00 53.40 N ATOM 781 CA PRO A 49 -5.881 -11.691 -8.482 1.00 34.24 C ATOM 782 C PRO A 49 -4.329 -11.620 -8.489 1.00 44.04 C ATOM 783 O PRO A 49 -3.736 -10.815 -9.226 1.00 1.43 O ATOM 784 CB PRO A 49 -6.469 -12.120 -9.853 1.00 20.32 C ATOM 785 CG PRO A 49 -6.714 -10.837 -10.586 1.00 41.10 C ATOM 786 CD PRO A 49 -7.102 -9.826 -9.525 1.00 60.51 C ATOM 0 HA PRO A 49 -6.115 -12.406 -7.693 1.00 34.24 H new ATOM 0 HB2 PRO A 49 -5.775 -12.760 -10.398 1.00 20.32 H new ATOM 0 HB3 PRO A 49 -7.392 -12.686 -9.727 1.00 20.32 H new ATOM 0 HG2 PRO A 49 -5.822 -10.517 -11.124 1.00 41.10 H new ATOM 0 HG3 PRO A 49 -7.507 -10.953 -11.325 1.00 41.10 H new ATOM 0 HD2 PRO A 49 -6.732 -8.830 -9.769 1.00 60.51 H new ATOM 0 HD3 PRO A 49 -8.185 -9.748 -9.425 1.00 60.51 H new ATOM 794 N TRP A 50 -3.690 -12.429 -7.629 1.00 73.10 N ATOM 795 CA TRP A 50 -2.225 -12.592 -7.598 1.00 33.11 C ATOM 796 C TRP A 50 -1.924 -14.098 -7.640 1.00 11.43 C ATOM 797 O TRP A 50 -2.337 -14.835 -6.737 1.00 63.41 O ATOM 798 CB TRP A 50 -1.598 -11.918 -6.335 1.00 3.30 C ATOM 799 CG TRP A 50 -0.089 -11.698 -6.437 1.00 43.40 C ATOM 800 CD1 TRP A 50 0.884 -12.652 -6.588 1.00 30.14 C ATOM 801 CD2 TRP A 50 0.613 -10.439 -6.399 1.00 5.41 C ATOM 802 NE1 TRP A 50 2.120 -12.064 -6.690 1.00 24.03 N ATOM 803 CE2 TRP A 50 1.987 -10.713 -6.564 1.00 42.41 C ATOM 804 CE3 TRP A 50 0.217 -9.110 -6.253 1.00 43.01 C ATOM 805 CZ2 TRP A 50 2.957 -9.716 -6.591 1.00 14.14 C ATOM 806 CZ3 TRP A 50 1.183 -8.122 -6.275 1.00 2.32 C ATOM 807 CH2 TRP A 50 2.537 -8.430 -6.445 1.00 23.04 C ATOM 0 H TRP A 50 -4.176 -12.992 -6.931 1.00 73.10 H new ATOM 0 HA TRP A 50 -1.776 -12.096 -8.458 1.00 33.11 H new ATOM 0 HB2 TRP A 50 -2.085 -10.957 -6.168 1.00 3.30 H new ATOM 0 HB3 TRP A 50 -1.807 -12.537 -5.463 1.00 3.30 H new ATOM 0 HD1 TRP A 50 0.703 -13.716 -6.622 1.00 30.14 H new ATOM 0 HE1 TRP A 50 2.999 -12.560 -6.837 1.00 24.03 H new ATOM 0 HE3 TRP A 50 -0.825 -8.857 -6.125 1.00 43.01 H new ATOM 0 HZ2 TRP A 50 4.002 -9.953 -6.723 1.00 14.14 H new ATOM 0 HZ3 TRP A 50 0.886 -7.090 -6.158 1.00 2.32 H new ATOM 0 HH2 TRP A 50 3.264 -7.631 -6.461 1.00 23.04 H new ATOM 818 N ARG A 51 -1.218 -14.537 -8.698 1.00 2.14 N ATOM 819 CA ARG A 51 -0.907 -15.964 -8.944 1.00 50.41 C ATOM 820 C ARG A 51 0.044 -16.544 -7.870 1.00 72.25 C ATOM 821 O ARG A 51 0.722 -15.797 -7.154 1.00 11.52 O ATOM 822 CB ARG A 51 -0.306 -16.143 -10.369 1.00 31.30 C ATOM 823 CG ARG A 51 -1.253 -15.752 -11.526 1.00 12.10 C ATOM 824 CD ARG A 51 -0.592 -15.841 -12.919 1.00 25.22 C ATOM 825 NE ARG A 51 0.518 -14.879 -13.091 1.00 34.34 N ATOM 826 CZ ARG A 51 1.038 -14.478 -14.274 1.00 2.13 C ATOM 827 NH1 ARG A 51 0.566 -14.922 -15.441 1.00 4.44 N ATOM 828 NH2 ARG A 51 2.051 -13.633 -14.274 1.00 53.52 N ATOM 0 H ARG A 51 -0.844 -13.912 -9.412 1.00 2.14 H new ATOM 0 HA ARG A 51 -1.840 -16.523 -8.879 1.00 50.41 H new ATOM 0 HB2 ARG A 51 0.602 -15.544 -10.443 1.00 31.30 H new ATOM 0 HB3 ARG A 51 -0.012 -17.185 -10.496 1.00 31.30 H new ATOM 0 HG2 ARG A 51 -2.127 -16.403 -11.505 1.00 12.10 H new ATOM 0 HG3 ARG A 51 -1.609 -14.734 -11.366 1.00 12.10 H new ATOM 0 HD2 ARG A 51 -0.217 -16.853 -13.074 1.00 25.22 H new ATOM 0 HD3 ARG A 51 -1.345 -15.660 -13.686 1.00 25.22 H new ATOM 0 HE ARG A 51 0.927 -14.484 -12.244 1.00 34.34 H new ATOM 0 HH11 ARG A 51 -0.210 -15.584 -15.459 1.00 4.44 H new ATOM 0 HH12 ARG A 51 0.981 -14.599 -16.315 1.00 4.44 H new ATOM 0 HH21 ARG A 51 2.431 -13.292 -13.391 1.00 53.52 H new ATOM 0 HH22 ARG A 51 2.455 -13.321 -15.157 1.00 53.52 H new ATOM 842 N GLY A 52 0.108 -17.891 -7.820 1.00 5.53 N ATOM 843 CA GLY A 52 0.839 -18.627 -6.779 1.00 2.20 C ATOM 844 C GLY A 52 2.344 -18.385 -6.780 1.00 5.33 C ATOM 845 O GLY A 52 3.015 -18.619 -5.768 1.00 34.34 O ATOM 0 H GLY A 52 -0.348 -18.495 -8.503 1.00 5.53 H new ATOM 0 HA2 GLY A 52 0.439 -18.348 -5.804 1.00 2.20 H new ATOM 0 HA3 GLY A 52 0.654 -19.694 -6.907 1.00 2.20 H new ATOM 849 N GLU A 53 2.863 -17.921 -7.926 1.00 53.11 N ATOM 850 CA GLU A 53 4.258 -17.513 -8.088 1.00 20.14 C ATOM 851 C GLU A 53 4.369 -16.048 -7.642 1.00 23.00 C ATOM 852 O GLU A 53 4.285 -15.140 -8.464 1.00 13.30 O ATOM 853 CB GLU A 53 4.735 -17.668 -9.574 1.00 45.33 C ATOM 854 CG GLU A 53 4.548 -19.072 -10.206 1.00 14.14 C ATOM 855 CD GLU A 53 3.076 -19.454 -10.472 1.00 22.43 C ATOM 856 OE1 GLU A 53 2.402 -18.731 -11.239 1.00 24.40 O ATOM 857 OE2 GLU A 53 2.584 -20.456 -9.907 1.00 15.25 O ATOM 0 H GLU A 53 2.312 -17.819 -8.778 1.00 53.11 H new ATOM 0 HA GLU A 53 4.899 -18.153 -7.482 1.00 20.14 H new ATOM 0 HB2 GLU A 53 4.198 -16.942 -10.185 1.00 45.33 H new ATOM 0 HB3 GLU A 53 5.792 -17.407 -9.624 1.00 45.33 H new ATOM 0 HG2 GLU A 53 5.098 -19.111 -11.146 1.00 14.14 H new ATOM 0 HG3 GLU A 53 4.992 -19.817 -9.546 1.00 14.14 H new ATOM 864 N PHE A 54 4.475 -15.821 -6.323 1.00 31.01 N ATOM 865 CA PHE A 54 4.508 -14.461 -5.758 1.00 50.30 C ATOM 866 C PHE A 54 5.822 -13.740 -6.141 1.00 14.40 C ATOM 867 O PHE A 54 6.852 -14.378 -6.364 1.00 1.24 O ATOM 868 CB PHE A 54 4.299 -14.467 -4.216 1.00 75.13 C ATOM 869 CG PHE A 54 3.855 -13.099 -3.677 1.00 24.42 C ATOM 870 CD1 PHE A 54 4.773 -12.106 -3.369 1.00 31.43 C ATOM 871 CD2 PHE A 54 2.509 -12.783 -3.577 1.00 41.35 C ATOM 872 CE1 PHE A 54 4.363 -10.847 -2.986 1.00 70.33 C ATOM 873 CE2 PHE A 54 2.094 -11.535 -3.172 1.00 0.43 C ATOM 874 CZ PHE A 54 3.023 -10.565 -2.891 1.00 32.14 C ATOM 0 H PHE A 54 4.539 -16.563 -5.626 1.00 31.01 H new ATOM 0 HA PHE A 54 3.675 -13.907 -6.191 1.00 50.30 H new ATOM 0 HB2 PHE A 54 3.551 -15.216 -3.957 1.00 75.13 H new ATOM 0 HB3 PHE A 54 5.228 -14.762 -3.728 1.00 75.13 H new ATOM 0 HD1 PHE A 54 5.829 -12.323 -3.430 1.00 31.43 H new ATOM 0 HD2 PHE A 54 1.771 -13.532 -3.822 1.00 41.35 H new ATOM 0 HE1 PHE A 54 5.094 -10.084 -2.761 1.00 70.33 H new ATOM 0 HE2 PHE A 54 1.040 -11.320 -3.076 1.00 0.43 H new ATOM 0 HZ PHE A 54 2.699 -9.578 -2.595 1.00 32.14 H new ATOM 884 N HIS A 55 5.768 -12.399 -6.270 1.00 63.14 N ATOM 885 CA HIS A 55 6.952 -11.575 -6.593 1.00 11.13 C ATOM 886 C HIS A 55 7.158 -10.489 -5.502 1.00 25.24 C ATOM 887 O HIS A 55 6.697 -9.363 -5.672 1.00 54.03 O ATOM 888 CB HIS A 55 6.788 -10.952 -8.009 1.00 11.35 C ATOM 889 CG HIS A 55 6.570 -11.981 -9.087 1.00 32.00 C ATOM 890 ND1 HIS A 55 7.598 -12.628 -9.735 1.00 4.22 N ATOM 891 CD2 HIS A 55 5.435 -12.531 -9.568 1.00 34.43 C ATOM 892 CE1 HIS A 55 7.096 -13.533 -10.556 1.00 51.21 C ATOM 893 NE2 HIS A 55 5.788 -13.493 -10.474 1.00 24.23 N ATOM 0 H HIS A 55 4.910 -11.860 -6.154 1.00 63.14 H new ATOM 0 HA HIS A 55 7.845 -12.201 -6.605 1.00 11.13 H new ATOM 0 HB2 HIS A 55 5.945 -10.261 -8.000 1.00 11.35 H new ATOM 0 HB3 HIS A 55 7.677 -10.368 -8.247 1.00 11.35 H new ATOM 0 HD2 HIS A 55 4.428 -12.260 -9.288 1.00 34.43 H new ATOM 0 HE1 HIS A 55 7.668 -14.195 -11.189 1.00 51.21 H new ATOM 0 HE2 HIS A 55 5.141 -14.082 -10.999 1.00 24.23 H new ATOM 902 N PRO A 56 7.826 -10.819 -4.336 1.00 53.12 N ATOM 903 CA PRO A 56 7.981 -9.872 -3.198 1.00 15.24 C ATOM 904 C PRO A 56 8.977 -8.741 -3.512 1.00 34.43 C ATOM 905 O PRO A 56 8.680 -7.561 -3.310 1.00 14.44 O ATOM 906 CB PRO A 56 8.485 -10.771 -2.023 1.00 40.31 C ATOM 907 CG PRO A 56 8.389 -12.192 -2.521 1.00 55.01 C ATOM 908 CD PRO A 56 8.484 -12.120 -4.029 1.00 22.50 C ATOM 0 HA PRO A 56 7.048 -9.358 -2.964 1.00 15.24 H new ATOM 0 HB2 PRO A 56 9.510 -10.521 -1.751 1.00 40.31 H new ATOM 0 HB3 PRO A 56 7.875 -10.627 -1.131 1.00 40.31 H new ATOM 0 HG2 PRO A 56 9.192 -12.803 -2.109 1.00 55.01 H new ATOM 0 HG3 PRO A 56 7.449 -12.650 -2.212 1.00 55.01 H new ATOM 0 HD2 PRO A 56 9.519 -12.141 -4.371 1.00 22.50 H new ATOM 0 HD3 PRO A 56 7.973 -12.955 -4.507 1.00 22.50 H new ATOM 916 N ASP A 57 10.153 -9.139 -4.023 1.00 51.21 N ATOM 917 CA ASP A 57 11.252 -8.223 -4.372 1.00 73.41 C ATOM 918 C ASP A 57 10.905 -7.362 -5.605 1.00 13.02 C ATOM 919 O ASP A 57 11.262 -6.185 -5.650 1.00 21.32 O ATOM 920 CB ASP A 57 12.552 -9.030 -4.630 1.00 43.05 C ATOM 921 CG ASP A 57 13.039 -9.824 -3.401 1.00 22.13 C ATOM 922 OD1 ASP A 57 12.479 -10.910 -3.117 1.00 23.34 O ATOM 923 OD2 ASP A 57 13.992 -9.373 -2.717 1.00 40.54 O ATOM 0 H ASP A 57 10.371 -10.118 -4.208 1.00 51.21 H new ATOM 0 HA ASP A 57 11.406 -7.548 -3.530 1.00 73.41 H new ATOM 0 HB2 ASP A 57 12.383 -9.722 -5.455 1.00 43.05 H new ATOM 0 HB3 ASP A 57 13.339 -8.345 -4.945 1.00 43.05 H new ATOM 928 N THR A 58 10.202 -7.959 -6.588 1.00 63.11 N ATOM 929 CA THR A 58 9.782 -7.266 -7.824 1.00 23.33 C ATOM 930 C THR A 58 8.751 -6.173 -7.481 1.00 12.45 C ATOM 931 O THR A 58 8.864 -5.018 -7.934 1.00 75.34 O ATOM 932 CB THR A 58 9.157 -8.273 -8.846 1.00 42.12 C ATOM 933 OG1 THR A 58 10.028 -9.403 -9.025 1.00 41.34 O ATOM 934 CG2 THR A 58 8.883 -7.627 -10.213 1.00 74.41 C ATOM 0 H THR A 58 9.909 -8.935 -6.548 1.00 63.11 H new ATOM 0 HA THR A 58 10.663 -6.813 -8.280 1.00 23.33 H new ATOM 0 HB THR A 58 8.202 -8.594 -8.429 1.00 42.12 H new ATOM 0 HG1 THR A 58 9.627 -10.027 -9.665 1.00 41.34 H new ATOM 0 HG21 THR A 58 8.450 -8.368 -10.885 1.00 74.41 H new ATOM 0 HG22 THR A 58 8.187 -6.797 -10.090 1.00 74.41 H new ATOM 0 HG23 THR A 58 9.818 -7.257 -10.635 1.00 74.41 H new ATOM 942 N LEU A 59 7.764 -6.570 -6.639 1.00 53.33 N ATOM 943 CA LEU A 59 6.736 -5.672 -6.095 1.00 61.31 C ATOM 944 C LEU A 59 7.406 -4.505 -5.358 1.00 25.52 C ATOM 945 O LEU A 59 7.155 -3.351 -5.679 1.00 52.12 O ATOM 946 CB LEU A 59 5.786 -6.453 -5.149 1.00 31.13 C ATOM 947 CG LEU A 59 4.602 -5.658 -4.516 1.00 21.15 C ATOM 948 CD1 LEU A 59 3.668 -5.051 -5.591 1.00 64.13 C ATOM 949 CD2 LEU A 59 3.821 -6.558 -3.528 1.00 35.43 C ATOM 0 H LEU A 59 7.666 -7.534 -6.321 1.00 53.33 H new ATOM 0 HA LEU A 59 6.140 -5.269 -6.914 1.00 61.31 H new ATOM 0 HB2 LEU A 59 5.370 -7.293 -5.705 1.00 31.13 H new ATOM 0 HB3 LEU A 59 6.384 -6.871 -4.339 1.00 31.13 H new ATOM 0 HG LEU A 59 5.021 -4.819 -3.961 1.00 21.15 H new ATOM 0 HD11 LEU A 59 2.859 -4.507 -5.104 1.00 64.13 H new ATOM 0 HD12 LEU A 59 4.236 -4.368 -6.223 1.00 64.13 H new ATOM 0 HD13 LEU A 59 3.251 -5.850 -6.204 1.00 64.13 H new ATOM 0 HD21 LEU A 59 2.997 -5.992 -3.093 1.00 35.43 H new ATOM 0 HD22 LEU A 59 3.425 -7.424 -4.059 1.00 35.43 H new ATOM 0 HD23 LEU A 59 4.489 -6.893 -2.735 1.00 35.43 H new ATOM 961 N GLN A 60 8.334 -4.857 -4.448 1.00 12.55 N ATOM 962 CA GLN A 60 9.048 -3.912 -3.561 1.00 72.02 C ATOM 963 C GLN A 60 9.787 -2.826 -4.380 1.00 31.05 C ATOM 964 O GLN A 60 9.602 -1.630 -4.142 1.00 1.42 O ATOM 965 CB GLN A 60 10.063 -4.698 -2.658 1.00 35.22 C ATOM 966 CG GLN A 60 10.072 -4.351 -1.149 1.00 14.12 C ATOM 967 CD GLN A 60 10.524 -2.934 -0.778 1.00 34.12 C ATOM 968 OE1 GLN A 60 10.270 -1.960 -1.471 1.00 61.35 O ATOM 969 NE2 GLN A 60 11.222 -2.813 0.334 1.00 21.43 N ATOM 0 H GLN A 60 8.616 -5.827 -4.304 1.00 12.55 H new ATOM 0 HA GLN A 60 8.315 -3.411 -2.929 1.00 72.02 H new ATOM 0 HB2 GLN A 60 9.854 -5.763 -2.760 1.00 35.22 H new ATOM 0 HB3 GLN A 60 11.066 -4.531 -3.051 1.00 35.22 H new ATOM 0 HG2 GLN A 60 9.066 -4.502 -0.758 1.00 14.12 H new ATOM 0 HG3 GLN A 60 10.722 -5.062 -0.639 1.00 14.12 H new ATOM 0 HE21 GLN A 60 11.425 -3.636 0.901 1.00 21.43 H new ATOM 0 HE22 GLN A 60 11.559 -1.896 0.627 1.00 21.43 H new ATOM 978 N MET A 61 10.611 -3.269 -5.354 1.00 50.34 N ATOM 979 CA MET A 61 11.413 -2.366 -6.208 1.00 4.52 C ATOM 980 C MET A 61 10.518 -1.412 -7.018 1.00 25.12 C ATOM 981 O MET A 61 10.803 -0.214 -7.086 1.00 50.52 O ATOM 982 CB MET A 61 12.350 -3.163 -7.158 1.00 41.50 C ATOM 983 CG MET A 61 13.467 -3.935 -6.451 1.00 51.44 C ATOM 984 SD MET A 61 14.543 -4.822 -7.601 1.00 43.10 S ATOM 985 CE MET A 61 13.394 -5.968 -8.378 1.00 53.11 C ATOM 0 H MET A 61 10.739 -4.258 -5.570 1.00 50.34 H new ATOM 0 HA MET A 61 12.033 -1.767 -5.541 1.00 4.52 H new ATOM 0 HB2 MET A 61 11.749 -3.866 -7.734 1.00 41.50 H new ATOM 0 HB3 MET A 61 12.799 -2.470 -7.869 1.00 41.50 H new ATOM 0 HG2 MET A 61 14.066 -3.240 -5.863 1.00 51.44 H new ATOM 0 HG3 MET A 61 13.025 -4.646 -5.752 1.00 51.44 H new ATOM 0 HE1 MET A 61 13.948 -6.681 -8.988 1.00 53.11 H new ATOM 0 HE2 MET A 61 12.838 -6.504 -7.608 1.00 53.11 H new ATOM 0 HE3 MET A 61 12.698 -5.414 -9.008 1.00 53.11 H new ATOM 995 N ALA A 62 9.407 -1.943 -7.569 1.00 41.34 N ATOM 996 CA ALA A 62 8.467 -1.156 -8.393 1.00 60.22 C ATOM 997 C ALA A 62 7.754 -0.094 -7.529 1.00 62.04 C ATOM 998 O ALA A 62 7.581 1.054 -7.961 1.00 71.33 O ATOM 999 CB ALA A 62 7.453 -2.076 -9.083 1.00 64.31 C ATOM 0 H ALA A 62 9.138 -2.920 -7.457 1.00 41.34 H new ATOM 0 HA ALA A 62 9.033 -0.639 -9.168 1.00 60.22 H new ATOM 0 HB1 ALA A 62 6.769 -1.477 -9.685 1.00 64.31 H new ATOM 0 HB2 ALA A 62 7.980 -2.781 -9.726 1.00 64.31 H new ATOM 0 HB3 ALA A 62 6.888 -2.624 -8.329 1.00 64.31 H new ATOM 1005 N LEU A 63 7.402 -0.496 -6.281 1.00 63.43 N ATOM 1006 CA LEU A 63 6.824 0.397 -5.254 1.00 50.55 C ATOM 1007 C LEU A 63 7.777 1.573 -4.981 1.00 71.11 C ATOM 1008 O LEU A 63 7.370 2.728 -5.022 1.00 21.32 O ATOM 1009 CB LEU A 63 6.543 -0.385 -3.935 1.00 55.32 C ATOM 1010 CG LEU A 63 5.411 -1.456 -3.998 1.00 52.22 C ATOM 1011 CD1 LEU A 63 5.406 -2.332 -2.728 1.00 50.43 C ATOM 1012 CD2 LEU A 63 4.030 -0.812 -4.248 1.00 23.12 C ATOM 0 H LEU A 63 7.514 -1.458 -5.961 1.00 63.43 H new ATOM 0 HA LEU A 63 5.877 0.786 -5.629 1.00 50.55 H new ATOM 0 HB2 LEU A 63 7.465 -0.878 -3.626 1.00 55.32 H new ATOM 0 HB3 LEU A 63 6.291 0.335 -3.157 1.00 55.32 H new ATOM 0 HG LEU A 63 5.619 -2.105 -4.848 1.00 52.22 H new ATOM 0 HD11 LEU A 63 4.607 -3.070 -2.798 1.00 50.43 H new ATOM 0 HD12 LEU A 63 6.364 -2.843 -2.634 1.00 50.43 H new ATOM 0 HD13 LEU A 63 5.243 -1.703 -1.853 1.00 50.43 H new ATOM 0 HD21 LEU A 63 3.267 -1.590 -4.285 1.00 23.12 H new ATOM 0 HD22 LEU A 63 3.801 -0.118 -3.440 1.00 23.12 H new ATOM 0 HD23 LEU A 63 4.046 -0.273 -5.196 1.00 23.12 H new ATOM 1024 N GLN A 64 9.057 1.251 -4.757 1.00 3.34 N ATOM 1025 CA GLN A 64 10.123 2.249 -4.563 1.00 5.51 C ATOM 1026 C GLN A 64 10.261 3.205 -5.781 1.00 74.13 C ATOM 1027 O GLN A 64 10.490 4.404 -5.585 1.00 51.41 O ATOM 1028 CB GLN A 64 11.463 1.529 -4.231 1.00 50.41 C ATOM 1029 CG GLN A 64 11.459 0.812 -2.858 1.00 75.52 C ATOM 1030 CD GLN A 64 12.711 -0.041 -2.601 1.00 12.33 C ATOM 1031 OE1 GLN A 64 13.719 0.440 -2.079 1.00 21.52 O ATOM 1032 NE2 GLN A 64 12.649 -1.317 -2.939 1.00 61.14 N ATOM 0 H GLN A 64 9.387 0.287 -4.704 1.00 3.34 H new ATOM 0 HA GLN A 64 9.851 2.881 -3.718 1.00 5.51 H new ATOM 0 HB2 GLN A 64 11.677 0.799 -5.012 1.00 50.41 H new ATOM 0 HB3 GLN A 64 12.272 2.259 -4.248 1.00 50.41 H new ATOM 0 HG2 GLN A 64 11.371 1.559 -2.069 1.00 75.52 H new ATOM 0 HG3 GLN A 64 10.577 0.175 -2.794 1.00 75.52 H new ATOM 0 HE21 GLN A 64 11.803 -1.690 -3.370 1.00 61.14 H new ATOM 0 HE22 GLN A 64 13.447 -1.929 -2.769 1.00 61.14 H new ATOM 1041 N VAL A 65 10.044 2.697 -7.028 1.00 51.35 N ATOM 1042 CA VAL A 65 10.099 3.538 -8.259 1.00 65.13 C ATOM 1043 C VAL A 65 8.945 4.572 -8.271 1.00 62.21 C ATOM 1044 O VAL A 65 9.107 5.697 -8.769 1.00 35.15 O ATOM 1045 CB VAL A 65 10.053 2.664 -9.587 1.00 23.04 C ATOM 1046 CG1 VAL A 65 10.066 3.537 -10.869 1.00 61.44 C ATOM 1047 CG2 VAL A 65 11.214 1.639 -9.633 1.00 41.12 C ATOM 0 H VAL A 65 9.831 1.716 -7.206 1.00 51.35 H new ATOM 0 HA VAL A 65 11.054 4.063 -8.238 1.00 65.13 H new ATOM 0 HB VAL A 65 9.108 2.122 -9.561 1.00 23.04 H new ATOM 0 HG11 VAL A 65 10.033 2.893 -11.748 1.00 61.44 H new ATOM 0 HG12 VAL A 65 9.198 4.196 -10.869 1.00 61.44 H new ATOM 0 HG13 VAL A 65 10.976 4.136 -10.892 1.00 61.44 H new ATOM 0 HG21 VAL A 65 11.151 1.059 -10.554 1.00 41.12 H new ATOM 0 HG22 VAL A 65 12.167 2.167 -9.601 1.00 41.12 H new ATOM 0 HG23 VAL A 65 11.142 0.969 -8.777 1.00 41.12 H new ATOM 1057 N VAL A 66 7.797 4.197 -7.668 1.00 72.24 N ATOM 1058 CA VAL A 66 6.607 5.075 -7.570 1.00 2.25 C ATOM 1059 C VAL A 66 6.467 5.688 -6.152 1.00 33.10 C ATOM 1060 O VAL A 66 5.381 6.165 -5.782 1.00 3.22 O ATOM 1061 CB VAL A 66 5.284 4.321 -7.993 1.00 23.05 C ATOM 1062 CG1 VAL A 66 5.319 3.914 -9.477 1.00 23.04 C ATOM 1063 CG2 VAL A 66 5.010 3.097 -7.096 1.00 63.34 C ATOM 0 H VAL A 66 7.667 3.282 -7.237 1.00 72.24 H new ATOM 0 HA VAL A 66 6.758 5.893 -8.274 1.00 2.25 H new ATOM 0 HB VAL A 66 4.461 5.022 -7.855 1.00 23.05 H new ATOM 0 HG11 VAL A 66 4.394 3.398 -9.735 1.00 23.04 H new ATOM 0 HG12 VAL A 66 5.422 4.805 -10.096 1.00 23.04 H new ATOM 0 HG13 VAL A 66 6.166 3.251 -9.652 1.00 23.04 H new ATOM 0 HG21 VAL A 66 4.092 2.607 -7.420 1.00 63.34 H new ATOM 0 HG22 VAL A 66 5.842 2.397 -7.172 1.00 63.34 H new ATOM 0 HG23 VAL A 66 4.902 3.421 -6.061 1.00 63.34 H new ATOM 1073 N ASN A 67 7.583 5.678 -5.379 1.00 73.12 N ATOM 1074 CA ASN A 67 7.695 6.381 -4.073 1.00 13.53 C ATOM 1075 C ASN A 67 6.662 5.876 -3.041 1.00 3.33 C ATOM 1076 O ASN A 67 6.055 6.657 -2.299 1.00 32.23 O ATOM 1077 CB ASN A 67 7.618 7.932 -4.266 1.00 25.14 C ATOM 1078 CG ASN A 67 8.781 8.523 -5.082 1.00 41.41 C ATOM 1079 OD1 ASN A 67 8.604 9.479 -5.833 1.00 75.44 O ATOM 1080 ND2 ASN A 67 9.989 7.986 -4.922 1.00 42.10 N ATOM 0 H ASN A 67 8.433 5.181 -5.644 1.00 73.12 H new ATOM 0 HA ASN A 67 8.676 6.144 -3.661 1.00 13.53 H new ATOM 0 HB2 ASN A 67 6.679 8.179 -4.761 1.00 25.14 H new ATOM 0 HB3 ASN A 67 7.597 8.409 -3.286 1.00 25.14 H new ATOM 0 HD21 ASN A 67 10.788 8.368 -5.428 1.00 42.10 H new ATOM 0 HD22 ASN A 67 10.115 7.192 -4.294 1.00 42.10 H new ATOM 1087 N ILE A 68 6.466 4.558 -3.017 1.00 54.12 N ATOM 1088 CA ILE A 68 5.691 3.865 -1.987 1.00 51.33 C ATOM 1089 C ILE A 68 6.685 3.310 -0.959 1.00 64.44 C ATOM 1090 O ILE A 68 7.451 2.378 -1.255 1.00 34.30 O ATOM 1091 CB ILE A 68 4.811 2.706 -2.586 1.00 44.04 C ATOM 1092 CG1 ILE A 68 3.800 3.243 -3.650 1.00 54.31 C ATOM 1093 CG2 ILE A 68 4.076 1.927 -1.474 1.00 23.33 C ATOM 1094 CD1 ILE A 68 2.741 4.189 -3.118 1.00 62.32 C ATOM 0 H ILE A 68 6.848 3.931 -3.725 1.00 54.12 H new ATOM 0 HA ILE A 68 4.997 4.566 -1.522 1.00 51.33 H new ATOM 0 HB ILE A 68 5.487 2.016 -3.090 1.00 44.04 H new ATOM 0 HG12 ILE A 68 4.360 3.754 -4.433 1.00 54.31 H new ATOM 0 HG13 ILE A 68 3.303 2.393 -4.116 1.00 54.31 H new ATOM 0 HG21 ILE A 68 3.477 1.133 -1.921 1.00 23.33 H new ATOM 0 HG22 ILE A 68 4.806 1.491 -0.792 1.00 23.33 H new ATOM 0 HG23 ILE A 68 3.426 2.606 -0.923 1.00 23.33 H new ATOM 0 HD11 ILE A 68 2.091 4.504 -3.934 1.00 62.32 H new ATOM 0 HD12 ILE A 68 2.148 3.681 -2.357 1.00 62.32 H new ATOM 0 HD13 ILE A 68 3.222 5.064 -2.679 1.00 62.32 H new ATOM 1106 N GLN A 69 6.707 3.945 0.213 1.00 1.21 N ATOM 1107 CA GLN A 69 7.585 3.587 1.323 1.00 34.34 C ATOM 1108 C GLN A 69 7.087 2.264 1.940 1.00 21.24 C ATOM 1109 O GLN A 69 5.971 2.215 2.455 1.00 54.40 O ATOM 1110 CB GLN A 69 7.583 4.761 2.356 1.00 23.02 C ATOM 1111 CG GLN A 69 8.776 4.812 3.332 1.00 25.04 C ATOM 1112 CD GLN A 69 8.876 3.662 4.345 1.00 1.20 C ATOM 1113 OE1 GLN A 69 9.971 3.253 4.710 1.00 24.35 O ATOM 1114 NE2 GLN A 69 7.755 3.179 4.855 1.00 24.12 N ATOM 0 H GLN A 69 6.101 4.739 0.420 1.00 1.21 H new ATOM 0 HA GLN A 69 8.612 3.434 0.990 1.00 34.34 H new ATOM 0 HB2 GLN A 69 7.550 5.701 1.806 1.00 23.02 H new ATOM 0 HB3 GLN A 69 6.665 4.702 2.940 1.00 23.02 H new ATOM 0 HG2 GLN A 69 9.696 4.834 2.747 1.00 25.04 H new ATOM 0 HG3 GLN A 69 8.727 5.751 3.884 1.00 25.04 H new ATOM 0 HE21 GLN A 69 6.854 3.535 4.535 1.00 24.12 H new ATOM 0 HE22 GLN A 69 7.791 2.450 5.568 1.00 24.12 H new ATOM 1123 N THR A 70 7.917 1.213 1.922 1.00 24.03 N ATOM 1124 CA THR A 70 7.517 -0.115 2.406 1.00 61.54 C ATOM 1125 C THR A 70 7.842 -0.217 3.902 1.00 71.41 C ATOM 1126 O THR A 70 9.012 -0.267 4.302 1.00 23.31 O ATOM 1127 CB THR A 70 8.206 -1.258 1.595 1.00 64.40 C ATOM 1128 OG1 THR A 70 7.874 -1.116 0.203 1.00 63.33 O ATOM 1129 CG2 THR A 70 7.780 -2.665 2.079 1.00 73.04 C ATOM 0 H THR A 70 8.875 1.258 1.575 1.00 24.03 H new ATOM 0 HA THR A 70 6.444 -0.238 2.260 1.00 61.54 H new ATOM 0 HB THR A 70 9.281 -1.169 1.749 1.00 64.40 H new ATOM 0 HG1 THR A 70 8.680 -1.244 -0.340 1.00 63.33 H new ATOM 0 HG21 THR A 70 8.287 -3.424 1.483 1.00 73.04 H new ATOM 0 HG22 THR A 70 8.051 -2.787 3.128 1.00 73.04 H new ATOM 0 HG23 THR A 70 6.701 -2.777 1.968 1.00 73.04 H new ATOM 1137 N ILE A 71 6.786 -0.180 4.718 1.00 30.22 N ATOM 1138 CA ILE A 71 6.855 -0.273 6.184 1.00 41.22 C ATOM 1139 C ILE A 71 7.308 -1.677 6.624 1.00 75.01 C ATOM 1140 O ILE A 71 8.222 -1.822 7.447 1.00 31.02 O ATOM 1141 CB ILE A 71 5.436 0.057 6.783 1.00 33.15 C ATOM 1142 CG1 ILE A 71 5.040 1.531 6.470 1.00 31.24 C ATOM 1143 CG2 ILE A 71 5.326 -0.254 8.295 1.00 52.24 C ATOM 1144 CD1 ILE A 71 5.781 2.580 7.272 1.00 62.15 C ATOM 0 H ILE A 71 5.832 -0.082 4.371 1.00 30.22 H new ATOM 0 HA ILE A 71 7.588 0.444 6.555 1.00 41.22 H new ATOM 0 HB ILE A 71 4.723 -0.606 6.293 1.00 33.15 H new ATOM 0 HG12 ILE A 71 5.210 1.719 5.410 1.00 31.24 H new ATOM 0 HG13 ILE A 71 3.971 1.649 6.647 1.00 31.24 H new ATOM 0 HG21 ILE A 71 4.325 -0.005 8.646 1.00 52.24 H new ATOM 0 HG22 ILE A 71 5.516 -1.314 8.463 1.00 52.24 H new ATOM 0 HG23 ILE A 71 6.060 0.337 8.842 1.00 52.24 H new ATOM 0 HD11 ILE A 71 5.435 3.572 6.981 1.00 62.15 H new ATOM 0 HD12 ILE A 71 5.592 2.426 8.334 1.00 62.15 H new ATOM 0 HD13 ILE A 71 6.850 2.498 7.078 1.00 62.15 H new ATOM 1156 N ALA A 72 6.648 -2.700 6.060 1.00 42.42 N ATOM 1157 CA ALA A 72 6.895 -4.107 6.403 1.00 33.32 C ATOM 1158 C ALA A 72 6.486 -5.020 5.242 1.00 74.31 C ATOM 1159 O ALA A 72 5.725 -4.596 4.364 1.00 43.52 O ATOM 1160 CB ALA A 72 6.113 -4.461 7.678 1.00 12.01 C ATOM 0 H ALA A 72 5.926 -2.573 5.351 1.00 42.42 H new ATOM 0 HA ALA A 72 7.959 -4.255 6.585 1.00 33.32 H new ATOM 0 HB1 ALA A 72 6.293 -5.504 7.937 1.00 12.01 H new ATOM 0 HB2 ALA A 72 6.443 -3.822 8.497 1.00 12.01 H new ATOM 0 HB3 ALA A 72 5.048 -4.308 7.506 1.00 12.01 H new ATOM 1166 N MET A 73 7.008 -6.260 5.235 1.00 74.44 N ATOM 1167 CA MET A 73 6.710 -7.261 4.198 1.00 12.53 C ATOM 1168 C MET A 73 6.995 -8.687 4.724 1.00 21.31 C ATOM 1169 O MET A 73 8.033 -8.919 5.365 1.00 34.11 O ATOM 1170 CB MET A 73 7.531 -6.951 2.905 1.00 72.14 C ATOM 1171 CG MET A 73 7.288 -7.918 1.736 1.00 52.12 C ATOM 1172 SD MET A 73 7.728 -7.230 0.119 1.00 61.53 S ATOM 1173 CE MET A 73 6.571 -5.863 -0.063 1.00 43.32 C ATOM 0 H MET A 73 7.651 -6.596 5.952 1.00 74.44 H new ATOM 0 HA MET A 73 5.651 -7.210 3.946 1.00 12.53 H new ATOM 0 HB2 MET A 73 7.294 -5.939 2.576 1.00 72.14 H new ATOM 0 HB3 MET A 73 8.592 -6.965 3.154 1.00 72.14 H new ATOM 0 HG2 MET A 73 7.864 -8.828 1.903 1.00 52.12 H new ATOM 0 HG3 MET A 73 6.236 -8.204 1.725 1.00 52.12 H new ATOM 0 HE1 MET A 73 6.462 -5.617 -1.119 1.00 43.32 H new ATOM 0 HE2 MET A 73 5.602 -6.150 0.345 1.00 43.32 H new ATOM 0 HE3 MET A 73 6.948 -4.993 0.475 1.00 43.32 H new ATOM 1183 N SER A 74 6.065 -9.634 4.469 1.00 63.04 N ATOM 1184 CA SER A 74 6.226 -11.054 4.830 1.00 60.43 C ATOM 1185 C SER A 74 7.160 -11.753 3.839 1.00 52.01 C ATOM 1186 O SER A 74 7.370 -11.271 2.718 1.00 51.34 O ATOM 1187 CB SER A 74 4.854 -11.771 4.876 1.00 72.51 C ATOM 1188 OG SER A 74 3.994 -11.171 5.829 1.00 45.42 O ATOM 0 H SER A 74 5.180 -9.431 4.005 1.00 63.04 H new ATOM 0 HA SER A 74 6.670 -11.104 5.824 1.00 60.43 H new ATOM 0 HB2 SER A 74 4.389 -11.737 3.891 1.00 72.51 H new ATOM 0 HB3 SER A 74 4.998 -12.823 5.124 1.00 72.51 H new ATOM 0 HG SER A 74 3.806 -10.246 5.564 1.00 45.42 H new ATOM 1194 N ARG A 75 7.692 -12.909 4.250 1.00 22.23 N ATOM 1195 CA ARG A 75 8.724 -13.641 3.488 1.00 23.00 C ATOM 1196 C ARG A 75 8.077 -14.576 2.448 1.00 43.10 C ATOM 1197 O ARG A 75 6.855 -14.783 2.445 1.00 51.22 O ATOM 1198 CB ARG A 75 9.675 -14.418 4.459 1.00 61.13 C ATOM 1199 CG ARG A 75 10.777 -13.542 5.132 1.00 53.33 C ATOM 1200 CD ARG A 75 10.234 -12.410 6.035 1.00 11.12 C ATOM 1201 NE ARG A 75 11.304 -11.520 6.527 1.00 70.31 N ATOM 1202 CZ ARG A 75 11.121 -10.440 7.311 1.00 33.21 C ATOM 1203 NH1 ARG A 75 9.896 -10.084 7.722 1.00 41.32 N ATOM 1204 NH2 ARG A 75 12.175 -9.723 7.698 1.00 11.21 N ATOM 0 H ARG A 75 7.423 -13.368 5.120 1.00 22.23 H new ATOM 0 HA ARG A 75 9.331 -12.920 2.940 1.00 23.00 H new ATOM 0 HB2 ARG A 75 9.073 -14.884 5.240 1.00 61.13 H new ATOM 0 HB3 ARG A 75 10.158 -15.223 3.906 1.00 61.13 H new ATOM 0 HG2 ARG A 75 11.422 -14.187 5.728 1.00 53.33 H new ATOM 0 HG3 ARG A 75 11.399 -13.101 4.353 1.00 53.33 H new ATOM 0 HD2 ARG A 75 9.504 -11.823 5.477 1.00 11.12 H new ATOM 0 HD3 ARG A 75 9.709 -12.847 6.885 1.00 11.12 H new ATOM 0 HE ARG A 75 12.261 -11.741 6.251 1.00 70.31 H new ATOM 0 HH11 ARG A 75 9.084 -10.634 7.441 1.00 41.32 H new ATOM 0 HH12 ARG A 75 9.776 -9.263 8.315 1.00 41.32 H new ATOM 0 HH21 ARG A 75 13.113 -9.993 7.401 1.00 11.21 H new ATOM 0 HH22 ARG A 75 12.044 -8.904 8.292 1.00 11.21 H new ATOM 1218 N ALA A 76 8.916 -15.091 1.542 1.00 74.21 N ATOM 1219 CA ALA A 76 8.510 -16.004 0.467 1.00 10.33 C ATOM 1220 C ALA A 76 8.008 -17.335 1.037 1.00 54.21 C ATOM 1221 O ALA A 76 8.730 -18.019 1.767 1.00 13.20 O ATOM 1222 CB ALA A 76 9.684 -16.227 -0.493 1.00 1.55 C ATOM 0 H ALA A 76 9.914 -14.881 1.535 1.00 74.21 H new ATOM 0 HA ALA A 76 7.686 -15.552 -0.084 1.00 10.33 H new ATOM 0 HB1 ALA A 76 9.379 -16.905 -1.290 1.00 1.55 H new ATOM 0 HB2 ALA A 76 9.987 -15.273 -0.925 1.00 1.55 H new ATOM 0 HB3 ALA A 76 10.522 -16.661 0.052 1.00 1.55 H new ATOM 1228 N GLY A 77 6.754 -17.677 0.707 1.00 63.53 N ATOM 1229 CA GLY A 77 6.115 -18.889 1.209 1.00 11.12 C ATOM 1230 C GLY A 77 5.434 -18.705 2.557 1.00 25.14 C ATOM 1231 O GLY A 77 4.815 -19.649 3.061 1.00 13.12 O ATOM 0 H GLY A 77 6.163 -17.122 0.089 1.00 63.53 H new ATOM 0 HA2 GLY A 77 5.377 -19.229 0.482 1.00 11.12 H new ATOM 0 HA3 GLY A 77 6.864 -19.676 1.294 1.00 11.12 H new ATOM 1235 N SER A 78 5.529 -17.497 3.149 1.00 53.31 N ATOM 1236 CA SER A 78 4.786 -17.161 4.368 1.00 22.11 C ATOM 1237 C SER A 78 3.336 -16.837 3.989 1.00 74.42 C ATOM 1238 O SER A 78 3.081 -15.877 3.247 1.00 61.13 O ATOM 1239 CB SER A 78 5.455 -15.965 5.081 1.00 53.42 C ATOM 1240 OG SER A 78 6.832 -16.226 5.336 1.00 35.12 O ATOM 0 H SER A 78 6.116 -16.740 2.797 1.00 53.31 H new ATOM 0 HA SER A 78 4.793 -18.006 5.057 1.00 22.11 H new ATOM 0 HB2 SER A 78 5.359 -15.070 4.466 1.00 53.42 H new ATOM 0 HB3 SER A 78 4.940 -15.763 6.020 1.00 53.42 H new ATOM 0 HG SER A 78 7.153 -15.628 6.043 1.00 35.12 H new ATOM 1246 N ARG A 79 2.389 -17.665 4.467 1.00 65.54 N ATOM 1247 CA ARG A 79 0.956 -17.549 4.148 1.00 41.35 C ATOM 1248 C ARG A 79 0.131 -17.484 5.458 1.00 42.05 C ATOM 1249 O ARG A 79 0.349 -18.314 6.346 1.00 73.04 O ATOM 1250 CB ARG A 79 0.468 -18.717 3.224 1.00 74.34 C ATOM 1251 CG ARG A 79 0.675 -18.495 1.696 1.00 13.11 C ATOM 1252 CD ARG A 79 2.136 -18.610 1.234 1.00 43.11 C ATOM 1253 NE ARG A 79 2.327 -18.157 -0.158 1.00 5.11 N ATOM 1254 CZ ARG A 79 3.014 -17.061 -0.537 1.00 33.24 C ATOM 1255 NH1 ARG A 79 3.594 -16.261 0.362 1.00 54.32 N ATOM 1256 NH2 ARG A 79 3.133 -16.782 -1.829 1.00 1.40 N ATOM 0 H ARG A 79 2.601 -18.442 5.093 1.00 65.54 H new ATOM 0 HA ARG A 79 0.803 -16.625 3.590 1.00 41.35 H new ATOM 0 HB2 ARG A 79 0.989 -19.629 3.515 1.00 74.34 H new ATOM 0 HB3 ARG A 79 -0.593 -18.884 3.409 1.00 74.34 H new ATOM 0 HG2 ARG A 79 0.075 -19.223 1.150 1.00 13.11 H new ATOM 0 HG3 ARG A 79 0.298 -17.507 1.430 1.00 13.11 H new ATOM 0 HD2 ARG A 79 2.770 -18.019 1.895 1.00 43.11 H new ATOM 0 HD3 ARG A 79 2.461 -19.647 1.323 1.00 43.11 H new ATOM 0 HE ARG A 79 1.903 -18.721 -0.895 1.00 5.11 H new ATOM 0 HH11 ARG A 79 3.522 -16.475 1.357 1.00 54.32 H new ATOM 0 HH12 ARG A 79 4.109 -15.436 0.054 1.00 54.32 H new ATOM 0 HH21 ARG A 79 2.707 -17.394 -2.524 1.00 1.40 H new ATOM 0 HH22 ARG A 79 3.651 -15.955 -2.127 1.00 1.40 H new ATOM 1270 N PRO A 80 -0.808 -16.485 5.631 1.00 52.23 N ATOM 1271 CA PRO A 80 -1.067 -15.401 4.642 1.00 22.41 C ATOM 1272 C PRO A 80 0.086 -14.372 4.577 1.00 73.41 C ATOM 1273 O PRO A 80 0.724 -14.068 5.591 1.00 73.33 O ATOM 1274 CB PRO A 80 -2.373 -14.763 5.160 1.00 73.21 C ATOM 1275 CG PRO A 80 -2.353 -14.992 6.635 1.00 42.42 C ATOM 1276 CD PRO A 80 -1.688 -16.343 6.830 1.00 23.42 C ATOM 0 HA PRO A 80 -1.145 -15.775 3.621 1.00 22.41 H new ATOM 0 HB2 PRO A 80 -2.413 -13.699 4.926 1.00 73.21 H new ATOM 0 HB3 PRO A 80 -3.247 -15.224 4.700 1.00 73.21 H new ATOM 0 HG2 PRO A 80 -1.799 -14.205 7.146 1.00 42.42 H new ATOM 0 HG3 PRO A 80 -3.363 -14.989 7.046 1.00 42.42 H new ATOM 0 HD2 PRO A 80 -1.112 -16.375 7.755 1.00 23.42 H new ATOM 0 HD3 PRO A 80 -2.423 -17.146 6.884 1.00 23.42 H new ATOM 1284 N TRP A 81 0.361 -13.885 3.366 1.00 25.11 N ATOM 1285 CA TRP A 81 1.442 -12.919 3.114 1.00 23.02 C ATOM 1286 C TRP A 81 0.901 -11.508 3.353 1.00 42.04 C ATOM 1287 O TRP A 81 -0.065 -11.123 2.717 1.00 1.03 O ATOM 1288 CB TRP A 81 1.964 -13.090 1.659 1.00 11.12 C ATOM 1289 CG TRP A 81 3.107 -12.168 1.276 1.00 43.32 C ATOM 1290 CD1 TRP A 81 4.445 -12.438 1.350 1.00 4.23 C ATOM 1291 CD2 TRP A 81 3.008 -10.830 0.759 1.00 50.04 C ATOM 1292 NE1 TRP A 81 5.170 -11.359 0.912 1.00 43.42 N ATOM 1293 CE2 TRP A 81 4.310 -10.368 0.543 1.00 43.03 C ATOM 1294 CE3 TRP A 81 1.936 -9.984 0.457 1.00 15.33 C ATOM 1295 CZ2 TRP A 81 4.572 -9.100 0.038 1.00 1.04 C ATOM 1296 CZ3 TRP A 81 2.198 -8.730 -0.045 1.00 33.15 C ATOM 1297 CH2 TRP A 81 3.508 -8.298 -0.254 1.00 14.35 C ATOM 0 H TRP A 81 -0.158 -14.147 2.528 1.00 25.11 H new ATOM 0 HA TRP A 81 2.279 -13.092 3.790 1.00 23.02 H new ATOM 0 HB2 TRP A 81 2.288 -14.122 1.524 1.00 11.12 H new ATOM 0 HB3 TRP A 81 1.136 -12.924 0.970 1.00 11.12 H new ATOM 0 HD1 TRP A 81 4.870 -13.366 1.702 1.00 4.23 H new ATOM 0 HE1 TRP A 81 6.188 -11.307 0.869 1.00 43.42 H new ATOM 0 HE3 TRP A 81 0.919 -10.310 0.615 1.00 15.33 H new ATOM 0 HZ2 TRP A 81 5.585 -8.761 -0.118 1.00 1.04 H new ATOM 0 HZ3 TRP A 81 1.377 -8.070 -0.281 1.00 33.15 H new ATOM 0 HH2 TRP A 81 3.683 -7.310 -0.654 1.00 14.35 H new ATOM 1308 N LYS A 82 1.485 -10.737 4.273 1.00 72.44 N ATOM 1309 CA LYS A 82 1.083 -9.334 4.485 1.00 54.23 C ATOM 1310 C LYS A 82 2.249 -8.375 4.220 1.00 62.22 C ATOM 1311 O LYS A 82 3.410 -8.729 4.395 1.00 43.45 O ATOM 1312 CB LYS A 82 0.505 -9.120 5.909 1.00 2.04 C ATOM 1313 CG LYS A 82 -0.108 -7.719 6.133 1.00 4.41 C ATOM 1314 CD LYS A 82 -0.723 -7.524 7.530 1.00 53.45 C ATOM 1315 CE LYS A 82 -1.950 -8.409 7.805 1.00 30.04 C ATOM 1316 NZ LYS A 82 -2.612 -8.044 9.094 1.00 30.02 N ATOM 0 H LYS A 82 2.237 -11.055 4.885 1.00 72.44 H new ATOM 0 HA LYS A 82 0.294 -9.110 3.767 1.00 54.23 H new ATOM 0 HB2 LYS A 82 -0.259 -9.874 6.097 1.00 2.04 H new ATOM 0 HB3 LYS A 82 1.298 -9.280 6.640 1.00 2.04 H new ATOM 0 HG2 LYS A 82 0.665 -6.966 5.979 1.00 4.41 H new ATOM 0 HG3 LYS A 82 -0.877 -7.545 5.381 1.00 4.41 H new ATOM 0 HD2 LYS A 82 0.038 -7.732 8.282 1.00 53.45 H new ATOM 0 HD3 LYS A 82 -1.009 -6.479 7.647 1.00 53.45 H new ATOM 0 HE2 LYS A 82 -2.663 -8.308 6.987 1.00 30.04 H new ATOM 0 HE3 LYS A 82 -1.646 -9.455 7.835 1.00 30.04 H new ATOM 0 HZ1 LYS A 82 -3.302 -8.779 9.350 1.00 30.02 H new ATOM 0 HZ2 LYS A 82 -1.895 -7.967 9.843 1.00 30.02 H new ATOM 0 HZ3 LYS A 82 -3.100 -7.132 8.987 1.00 30.02 H new ATOM 1330 N ALA A 83 1.907 -7.153 3.798 1.00 34.01 N ATOM 1331 CA ALA A 83 2.844 -6.050 3.631 1.00 71.44 C ATOM 1332 C ALA A 83 2.139 -4.761 4.027 1.00 31.42 C ATOM 1333 O ALA A 83 0.958 -4.570 3.716 1.00 73.02 O ATOM 1334 CB ALA A 83 3.375 -5.951 2.194 1.00 34.30 C ATOM 0 H ALA A 83 0.947 -6.903 3.559 1.00 34.01 H new ATOM 0 HA ALA A 83 3.710 -6.226 4.270 1.00 71.44 H new ATOM 0 HB1 ALA A 83 4.069 -5.114 2.120 1.00 34.30 H new ATOM 0 HB2 ALA A 83 3.891 -6.875 1.932 1.00 34.30 H new ATOM 0 HB3 ALA A 83 2.542 -5.794 1.508 1.00 34.30 H new ATOM 1340 N TYR A 84 2.857 -3.897 4.725 1.00 11.41 N ATOM 1341 CA TYR A 84 2.380 -2.568 5.088 1.00 33.31 C ATOM 1342 C TYR A 84 3.129 -1.544 4.238 1.00 55.43 C ATOM 1343 O TYR A 84 4.363 -1.551 4.197 1.00 24.23 O ATOM 1344 CB TYR A 84 2.582 -2.319 6.602 1.00 51.44 C ATOM 1345 CG TYR A 84 1.610 -3.106 7.494 1.00 2.34 C ATOM 1346 CD1 TYR A 84 0.233 -3.064 7.258 1.00 51.14 C ATOM 1347 CD2 TYR A 84 2.057 -3.857 8.583 1.00 72.22 C ATOM 1348 CE1 TYR A 84 -0.653 -3.740 8.064 1.00 15.24 C ATOM 1349 CE2 TYR A 84 1.167 -4.543 9.389 1.00 61.01 C ATOM 1350 CZ TYR A 84 -0.181 -4.473 9.128 1.00 1.21 C ATOM 1351 OH TYR A 84 -1.066 -5.152 9.927 1.00 51.03 O ATOM 0 H TYR A 84 3.799 -4.099 5.061 1.00 11.41 H new ATOM 0 HA TYR A 84 1.311 -2.478 4.893 1.00 33.31 H new ATOM 0 HB2 TYR A 84 3.604 -2.585 6.871 1.00 51.44 H new ATOM 0 HB3 TYR A 84 2.466 -1.254 6.804 1.00 51.44 H new ATOM 0 HD1 TYR A 84 -0.143 -2.489 6.425 1.00 51.14 H new ATOM 0 HD2 TYR A 84 3.114 -3.903 8.799 1.00 72.22 H new ATOM 0 HE1 TYR A 84 -1.713 -3.696 7.863 1.00 15.24 H new ATOM 0 HE2 TYR A 84 1.529 -5.131 10.219 1.00 61.01 H new ATOM 0 HH TYR A 84 -0.575 -5.622 10.633 1.00 51.03 H new ATOM 1361 N LEU A 85 2.372 -0.720 3.506 1.00 13.31 N ATOM 1362 CA LEU A 85 2.914 0.325 2.628 1.00 3.25 C ATOM 1363 C LEU A 85 2.409 1.696 3.094 1.00 51.32 C ATOM 1364 O LEU A 85 1.287 1.812 3.567 1.00 61.43 O ATOM 1365 CB LEU A 85 2.451 0.074 1.169 1.00 31.14 C ATOM 1366 CG LEU A 85 2.746 -1.331 0.561 1.00 55.00 C ATOM 1367 CD1 LEU A 85 2.241 -1.412 -0.898 1.00 32.11 C ATOM 1368 CD2 LEU A 85 4.245 -1.694 0.669 1.00 54.21 C ATOM 0 H LEU A 85 1.353 -0.760 3.506 1.00 13.31 H new ATOM 0 HA LEU A 85 4.003 0.302 2.670 1.00 3.25 H new ATOM 0 HB2 LEU A 85 1.375 0.244 1.122 1.00 31.14 H new ATOM 0 HB3 LEU A 85 2.920 0.823 0.532 1.00 31.14 H new ATOM 0 HG LEU A 85 2.199 -2.071 1.145 1.00 55.00 H new ATOM 0 HD11 LEU A 85 2.457 -2.401 -1.303 1.00 32.11 H new ATOM 0 HD12 LEU A 85 1.165 -1.237 -0.921 1.00 32.11 H new ATOM 0 HD13 LEU A 85 2.744 -0.655 -1.500 1.00 32.11 H new ATOM 0 HD21 LEU A 85 4.413 -2.680 0.235 1.00 54.21 H new ATOM 0 HD22 LEU A 85 4.838 -0.955 0.131 1.00 54.21 H new ATOM 0 HD23 LEU A 85 4.542 -1.704 1.718 1.00 54.21 H new ATOM 1380 N SER A 86 3.226 2.725 2.916 1.00 41.40 N ATOM 1381 CA SER A 86 2.876 4.107 3.264 1.00 63.41 C ATOM 1382 C SER A 86 3.287 5.011 2.101 1.00 52.12 C ATOM 1383 O SER A 86 4.344 4.805 1.502 1.00 4.23 O ATOM 1384 CB SER A 86 3.579 4.532 4.574 1.00 5.12 C ATOM 1385 OG SER A 86 4.985 4.369 4.480 1.00 12.45 O ATOM 0 H SER A 86 4.162 2.629 2.522 1.00 41.40 H new ATOM 0 HA SER A 86 1.802 4.192 3.432 1.00 63.41 H new ATOM 0 HB2 SER A 86 3.345 5.574 4.793 1.00 5.12 H new ATOM 0 HB3 SER A 86 3.196 3.938 5.404 1.00 5.12 H new ATOM 0 HG SER A 86 5.425 4.922 5.159 1.00 12.45 H new ATOM 1391 N ALA A 87 2.444 5.983 1.774 1.00 24.20 N ATOM 1392 CA ALA A 87 2.696 6.935 0.694 1.00 34.42 C ATOM 1393 C ALA A 87 2.459 8.348 1.216 1.00 72.54 C ATOM 1394 O ALA A 87 1.465 8.606 1.890 1.00 34.31 O ATOM 1395 CB ALA A 87 1.790 6.619 -0.498 1.00 34.24 C ATOM 0 H ALA A 87 1.557 6.136 2.254 1.00 24.20 H new ATOM 0 HA ALA A 87 3.729 6.858 0.355 1.00 34.42 H new ATOM 0 HB1 ALA A 87 1.982 7.332 -1.300 1.00 34.24 H new ATOM 0 HB2 ALA A 87 1.995 5.609 -0.853 1.00 34.24 H new ATOM 0 HB3 ALA A 87 0.747 6.691 -0.191 1.00 34.24 H new ATOM 1401 N GLN A 88 3.382 9.256 0.914 1.00 25.10 N ATOM 1402 CA GLN A 88 3.310 10.650 1.349 1.00 11.32 C ATOM 1403 C GLN A 88 3.700 11.537 0.167 1.00 72.31 C ATOM 1404 O GLN A 88 4.827 11.465 -0.335 1.00 24.04 O ATOM 1405 CB GLN A 88 4.211 10.842 2.606 1.00 45.14 C ATOM 1406 CG GLN A 88 5.637 10.246 2.499 1.00 33.34 C ATOM 1407 CD GLN A 88 6.381 10.131 3.839 1.00 24.51 C ATOM 1408 OE1 GLN A 88 7.181 9.216 4.038 1.00 64.42 O ATOM 1409 NE2 GLN A 88 6.158 11.072 4.742 1.00 64.24 N ATOM 0 H GLN A 88 4.209 9.045 0.356 1.00 25.10 H new ATOM 0 HA GLN A 88 2.302 10.935 1.651 1.00 11.32 H new ATOM 0 HB2 GLN A 88 4.296 11.909 2.811 1.00 45.14 H new ATOM 0 HB3 GLN A 88 3.711 10.391 3.463 1.00 45.14 H new ATOM 0 HG2 GLN A 88 5.571 9.256 2.048 1.00 33.34 H new ATOM 0 HG3 GLN A 88 6.226 10.865 1.822 1.00 33.34 H new ATOM 0 HE21 GLN A 88 5.489 11.817 4.548 1.00 64.24 H new ATOM 0 HE22 GLN A 88 6.655 11.052 5.632 1.00 64.24 H new ATOM 1418 N ASP A 89 2.733 12.330 -0.312 1.00 75.34 N ATOM 1419 CA ASP A 89 2.865 13.083 -1.569 1.00 1.21 C ATOM 1420 C ASP A 89 3.257 14.546 -1.296 1.00 1.05 C ATOM 1421 O ASP A 89 3.493 14.930 -0.146 1.00 51.54 O ATOM 1422 CB ASP A 89 1.532 12.987 -2.370 1.00 50.45 C ATOM 1423 CG ASP A 89 0.454 13.970 -1.905 1.00 21.41 C ATOM 1424 OD1 ASP A 89 0.144 13.997 -0.708 1.00 55.24 O ATOM 1425 OD2 ASP A 89 -0.043 14.760 -2.733 1.00 25.05 O ATOM 0 H ASP A 89 1.839 12.468 0.158 1.00 75.34 H new ATOM 0 HA ASP A 89 3.664 12.647 -2.168 1.00 1.21 H new ATOM 0 HB2 ASP A 89 1.740 13.165 -3.425 1.00 50.45 H new ATOM 0 HB3 ASP A 89 1.143 11.972 -2.288 1.00 50.45 H new ATOM 1430 N ASP A 90 3.301 15.349 -2.374 1.00 24.41 N ATOM 1431 CA ASP A 90 3.736 16.754 -2.349 1.00 2.31 C ATOM 1432 C ASP A 90 2.789 17.654 -1.515 1.00 72.43 C ATOM 1433 O ASP A 90 3.223 18.684 -0.980 1.00 2.43 O ATOM 1434 CB ASP A 90 3.864 17.272 -3.809 1.00 61.33 C ATOM 1435 CG ASP A 90 4.452 18.696 -3.915 1.00 32.13 C ATOM 1436 OD1 ASP A 90 5.615 18.897 -3.507 1.00 14.45 O ATOM 1437 OD2 ASP A 90 3.761 19.620 -4.406 1.00 63.34 O ATOM 0 H ASP A 90 3.029 15.032 -3.305 1.00 24.41 H new ATOM 0 HA ASP A 90 4.707 16.803 -1.856 1.00 2.31 H new ATOM 0 HB2 ASP A 90 4.494 16.586 -4.374 1.00 61.33 H new ATOM 0 HB3 ASP A 90 2.880 17.260 -4.277 1.00 61.33 H new ATOM 1442 N THR A 91 1.503 17.253 -1.378 1.00 43.11 N ATOM 1443 CA THR A 91 0.502 18.038 -0.608 1.00 10.10 C ATOM 1444 C THR A 91 0.493 17.634 0.881 1.00 70.41 C ATOM 1445 O THR A 91 -0.215 18.254 1.686 1.00 3.53 O ATOM 1446 CB THR A 91 -0.946 17.921 -1.198 1.00 13.14 C ATOM 1447 OG1 THR A 91 -1.480 16.608 -0.984 1.00 44.14 O ATOM 1448 CG2 THR A 91 -0.983 18.234 -2.702 1.00 75.33 C ATOM 0 H THR A 91 1.133 16.395 -1.787 1.00 43.11 H new ATOM 0 HA THR A 91 0.811 19.080 -0.694 1.00 10.10 H new ATOM 0 HB THR A 91 -1.555 18.658 -0.674 1.00 13.14 H new ATOM 0 HG1 THR A 91 -1.071 15.981 -1.617 1.00 44.14 H new ATOM 0 HG21 THR A 91 -2.005 18.141 -3.068 1.00 75.33 H new ATOM 0 HG22 THR A 91 -0.629 19.251 -2.871 1.00 75.33 H new ATOM 0 HG23 THR A 91 -0.341 17.533 -3.235 1.00 75.33 H new ATOM 1456 N GLY A 92 1.281 16.597 1.239 1.00 43.14 N ATOM 1457 CA GLY A 92 1.408 16.154 2.636 1.00 13.01 C ATOM 1458 C GLY A 92 0.280 15.240 3.085 1.00 2.13 C ATOM 1459 O GLY A 92 0.020 15.102 4.288 1.00 61.20 O ATOM 0 H GLY A 92 1.836 16.054 0.577 1.00 43.14 H new ATOM 0 HA2 GLY A 92 2.358 15.634 2.759 1.00 13.01 H new ATOM 0 HA3 GLY A 92 1.437 17.029 3.285 1.00 13.01 H new ATOM 1463 N CYS A 93 -0.409 14.632 2.118 1.00 51.12 N ATOM 1464 CA CYS A 93 -1.446 13.635 2.378 1.00 35.45 C ATOM 1465 C CYS A 93 -0.799 12.256 2.609 1.00 53.51 C ATOM 1466 O CYS A 93 0.006 11.793 1.791 1.00 61.11 O ATOM 1467 CB CYS A 93 -2.429 13.606 1.199 1.00 74.23 C ATOM 1468 SG CYS A 93 -3.275 15.183 0.908 1.00 74.20 S ATOM 0 H CYS A 93 -0.261 14.819 1.126 1.00 51.12 H new ATOM 0 HA CYS A 93 -2.000 13.898 3.279 1.00 35.45 H new ATOM 0 HB2 CYS A 93 -1.889 13.323 0.296 1.00 74.23 H new ATOM 0 HB3 CYS A 93 -3.175 12.833 1.380 1.00 74.23 H new ATOM 0 HG CYS A 93 -2.719 15.795 -0.095 1.00 74.20 H new ATOM 1474 N LEU A 94 -1.153 11.623 3.735 1.00 34.14 N ATOM 1475 CA LEU A 94 -0.585 10.335 4.164 1.00 64.30 C ATOM 1476 C LEU A 94 -1.563 9.195 3.785 1.00 2.52 C ATOM 1477 O LEU A 94 -2.754 9.282 4.075 1.00 72.32 O ATOM 1478 CB LEU A 94 -0.309 10.362 5.709 1.00 10.44 C ATOM 1479 CG LEU A 94 0.954 9.579 6.222 1.00 61.40 C ATOM 1480 CD1 LEU A 94 0.913 8.085 5.832 1.00 4.22 C ATOM 1481 CD2 LEU A 94 2.264 10.249 5.739 1.00 54.22 C ATOM 0 H LEU A 94 -1.849 11.993 4.382 1.00 34.14 H new ATOM 0 HA LEU A 94 0.364 10.158 3.658 1.00 64.30 H new ATOM 0 HB2 LEU A 94 -0.211 11.403 6.017 1.00 10.44 H new ATOM 0 HB3 LEU A 94 -1.186 9.960 6.217 1.00 10.44 H new ATOM 0 HG LEU A 94 0.934 9.624 7.311 1.00 61.40 H new ATOM 0 HD11 LEU A 94 1.806 7.586 6.208 1.00 4.22 H new ATOM 0 HD12 LEU A 94 0.028 7.620 6.266 1.00 4.22 H new ATOM 0 HD13 LEU A 94 0.876 7.993 4.746 1.00 4.22 H new ATOM 0 HD21 LEU A 94 3.120 9.685 6.110 1.00 54.22 H new ATOM 0 HD22 LEU A 94 2.284 10.265 4.649 1.00 54.22 H new ATOM 0 HD23 LEU A 94 2.311 11.270 6.117 1.00 54.22 H new ATOM 1493 N PHE A 95 -1.029 8.138 3.141 1.00 63.12 N ATOM 1494 CA PHE A 95 -1.784 6.950 2.700 1.00 31.42 C ATOM 1495 C PHE A 95 -1.197 5.707 3.370 1.00 32.44 C ATOM 1496 O PHE A 95 0.021 5.545 3.444 1.00 52.04 O ATOM 1497 CB PHE A 95 -1.713 6.792 1.156 1.00 0.51 C ATOM 1498 CG PHE A 95 -2.266 7.995 0.405 1.00 2.31 C ATOM 1499 CD1 PHE A 95 -1.466 9.114 0.175 1.00 10.42 C ATOM 1500 CD2 PHE A 95 -3.596 8.032 -0.014 1.00 14.32 C ATOM 1501 CE1 PHE A 95 -1.974 10.218 -0.464 1.00 51.43 C ATOM 1502 CE2 PHE A 95 -4.105 9.144 -0.650 1.00 33.35 C ATOM 1503 CZ PHE A 95 -3.290 10.239 -0.866 1.00 62.42 C ATOM 0 H PHE A 95 -0.037 8.086 2.908 1.00 63.12 H new ATOM 0 HA PHE A 95 -2.829 7.071 2.985 1.00 31.42 H new ATOM 0 HB2 PHE A 95 -0.676 6.633 0.861 1.00 0.51 H new ATOM 0 HB3 PHE A 95 -2.269 5.901 0.862 1.00 0.51 H new ATOM 0 HD1 PHE A 95 -0.437 9.112 0.503 1.00 10.42 H new ATOM 0 HD2 PHE A 95 -4.235 7.179 0.162 1.00 14.32 H new ATOM 0 HE1 PHE A 95 -1.340 11.072 -0.652 1.00 51.43 H new ATOM 0 HE2 PHE A 95 -5.134 9.159 -0.977 1.00 33.35 H new ATOM 0 HZ PHE A 95 -3.688 11.117 -1.353 1.00 62.42 H new ATOM 1513 N LEU A 96 -2.082 4.866 3.881 1.00 11.33 N ATOM 1514 CA LEU A 96 -1.746 3.617 4.555 1.00 52.13 C ATOM 1515 C LEU A 96 -2.372 2.452 3.763 1.00 21.41 C ATOM 1516 O LEU A 96 -3.581 2.466 3.492 1.00 71.55 O ATOM 1517 CB LEU A 96 -2.322 3.663 5.992 1.00 53.24 C ATOM 1518 CG LEU A 96 -2.057 4.954 6.832 1.00 34.13 C ATOM 1519 CD1 LEU A 96 -2.898 4.943 8.108 1.00 35.12 C ATOM 1520 CD2 LEU A 96 -0.570 5.137 7.173 1.00 4.24 C ATOM 0 H LEU A 96 -3.087 5.037 3.838 1.00 11.33 H new ATOM 0 HA LEU A 96 -0.666 3.477 4.607 1.00 52.13 H new ATOM 0 HB2 LEU A 96 -3.400 3.519 5.927 1.00 53.24 H new ATOM 0 HB3 LEU A 96 -1.919 2.814 6.544 1.00 53.24 H new ATOM 0 HG LEU A 96 -2.352 5.803 6.215 1.00 34.13 H new ATOM 0 HD11 LEU A 96 -2.701 5.849 8.681 1.00 35.12 H new ATOM 0 HD12 LEU A 96 -3.955 4.901 7.847 1.00 35.12 H new ATOM 0 HD13 LEU A 96 -2.638 4.071 8.708 1.00 35.12 H new ATOM 0 HD21 LEU A 96 -0.440 6.048 7.757 1.00 4.24 H new ATOM 0 HD22 LEU A 96 -0.222 4.282 7.752 1.00 4.24 H new ATOM 0 HD23 LEU A 96 0.008 5.211 6.252 1.00 4.24 H new ATOM 1532 N THR A 97 -1.559 1.460 3.390 1.00 2.35 N ATOM 1533 CA THR A 97 -1.996 0.296 2.596 1.00 22.32 C ATOM 1534 C THR A 97 -1.589 -1.020 3.285 1.00 54.32 C ATOM 1535 O THR A 97 -0.550 -1.097 3.945 1.00 45.45 O ATOM 1536 CB THR A 97 -1.372 0.368 1.156 1.00 33.30 C ATOM 1537 OG1 THR A 97 -1.642 1.656 0.593 1.00 12.10 O ATOM 1538 CG2 THR A 97 -1.910 -0.714 0.197 1.00 23.53 C ATOM 0 H THR A 97 -0.568 1.437 3.630 1.00 2.35 H new ATOM 0 HA THR A 97 -3.083 0.318 2.518 1.00 22.32 H new ATOM 0 HB THR A 97 -0.302 0.193 1.269 1.00 33.30 H new ATOM 0 HG1 THR A 97 -1.958 1.550 -0.329 1.00 12.10 H new ATOM 0 HG21 THR A 97 -1.436 -0.604 -0.778 1.00 23.53 H new ATOM 0 HG22 THR A 97 -1.686 -1.702 0.600 1.00 23.53 H new ATOM 0 HG23 THR A 97 -2.989 -0.602 0.091 1.00 23.53 H new ATOM 1546 N GLU A 98 -2.446 -2.041 3.140 1.00 70.24 N ATOM 1547 CA GLU A 98 -2.189 -3.409 3.610 1.00 24.43 C ATOM 1548 C GLU A 98 -2.460 -4.378 2.452 1.00 70.31 C ATOM 1549 O GLU A 98 -3.583 -4.452 1.951 1.00 35.21 O ATOM 1550 CB GLU A 98 -3.104 -3.735 4.817 1.00 72.10 C ATOM 1551 CG GLU A 98 -3.004 -5.173 5.368 1.00 40.14 C ATOM 1552 CD GLU A 98 -4.008 -5.449 6.504 1.00 23.53 C ATOM 1553 OE1 GLU A 98 -5.202 -5.669 6.200 1.00 3.31 O ATOM 1554 OE2 GLU A 98 -3.619 -5.433 7.697 1.00 24.44 O ATOM 0 H GLU A 98 -3.353 -1.937 2.685 1.00 70.24 H new ATOM 0 HA GLU A 98 -1.153 -3.507 3.935 1.00 24.43 H new ATOM 0 HB2 GLU A 98 -2.870 -3.040 5.624 1.00 72.10 H new ATOM 0 HB3 GLU A 98 -4.138 -3.549 4.526 1.00 72.10 H new ATOM 0 HG2 GLU A 98 -3.177 -5.881 4.557 1.00 40.14 H new ATOM 0 HG3 GLU A 98 -1.992 -5.348 5.733 1.00 40.14 H new ATOM 1561 N LEU A 99 -1.419 -5.091 2.024 1.00 22.42 N ATOM 1562 CA LEU A 99 -1.512 -6.119 0.983 1.00 31.14 C ATOM 1563 C LEU A 99 -1.557 -7.475 1.691 1.00 54.33 C ATOM 1564 O LEU A 99 -0.632 -7.796 2.422 1.00 65.35 O ATOM 1565 CB LEU A 99 -0.266 -6.054 0.057 1.00 51.53 C ATOM 1566 CG LEU A 99 0.043 -4.698 -0.648 1.00 21.45 C ATOM 1567 CD1 LEU A 99 1.297 -4.829 -1.536 1.00 41.21 C ATOM 1568 CD2 LEU A 99 -1.160 -4.181 -1.458 1.00 13.54 C ATOM 0 H LEU A 99 -0.476 -4.971 2.393 1.00 22.42 H new ATOM 0 HA LEU A 99 -2.400 -5.967 0.370 1.00 31.14 H new ATOM 0 HB2 LEU A 99 0.606 -6.331 0.649 1.00 51.53 H new ATOM 0 HB3 LEU A 99 -0.382 -6.815 -0.715 1.00 51.53 H new ATOM 0 HG LEU A 99 0.242 -3.959 0.128 1.00 21.45 H new ATOM 0 HD11 LEU A 99 1.500 -3.875 -2.022 1.00 41.21 H new ATOM 0 HD12 LEU A 99 2.151 -5.112 -0.920 1.00 41.21 H new ATOM 0 HD13 LEU A 99 1.127 -5.593 -2.295 1.00 41.21 H new ATOM 0 HD21 LEU A 99 -0.900 -3.234 -1.932 1.00 13.54 H new ATOM 0 HD22 LEU A 99 -1.423 -4.910 -2.224 1.00 13.54 H new ATOM 0 HD23 LEU A 99 -2.010 -4.032 -0.792 1.00 13.54 H new ATOM 1580 N LEU A 100 -2.630 -8.249 1.495 1.00 31.44 N ATOM 1581 CA LEU A 100 -2.814 -9.537 2.191 1.00 41.25 C ATOM 1582 C LEU A 100 -3.148 -10.624 1.164 1.00 71.03 C ATOM 1583 O LEU A 100 -4.255 -10.665 0.649 1.00 22.25 O ATOM 1584 CB LEU A 100 -3.923 -9.394 3.292 1.00 25.22 C ATOM 1585 CG LEU A 100 -4.030 -10.528 4.380 1.00 64.14 C ATOM 1586 CD1 LEU A 100 -4.676 -11.821 3.842 1.00 23.31 C ATOM 1587 CD2 LEU A 100 -2.654 -10.827 5.006 1.00 44.24 C ATOM 0 H LEU A 100 -3.390 -8.009 0.858 1.00 31.44 H new ATOM 0 HA LEU A 100 -1.894 -9.830 2.697 1.00 41.25 H new ATOM 0 HB2 LEU A 100 -3.761 -8.448 3.809 1.00 25.22 H new ATOM 0 HB3 LEU A 100 -4.887 -9.321 2.789 1.00 25.22 H new ATOM 0 HG LEU A 100 -4.694 -10.145 5.155 1.00 64.14 H new ATOM 0 HD11 LEU A 100 -4.721 -12.564 4.638 1.00 23.31 H new ATOM 0 HD12 LEU A 100 -5.685 -11.605 3.490 1.00 23.31 H new ATOM 0 HD13 LEU A 100 -4.079 -12.210 3.017 1.00 23.31 H new ATOM 0 HD21 LEU A 100 -2.758 -11.613 5.754 1.00 44.24 H new ATOM 0 HD22 LEU A 100 -1.964 -11.154 4.228 1.00 44.24 H new ATOM 0 HD23 LEU A 100 -2.266 -9.925 5.480 1.00 44.24 H new ATOM 1599 N LEU A 101 -2.210 -11.540 0.930 1.00 50.41 N ATOM 1600 CA LEU A 101 -2.368 -12.623 -0.030 1.00 71.45 C ATOM 1601 C LEU A 101 -2.908 -13.831 0.739 1.00 53.31 C ATOM 1602 O LEU A 101 -2.316 -14.224 1.763 1.00 64.44 O ATOM 1603 CB LEU A 101 -1.011 -12.984 -0.691 1.00 14.43 C ATOM 1604 CG LEU A 101 -1.057 -14.189 -1.686 1.00 3.14 C ATOM 1605 CD1 LEU A 101 -1.702 -13.800 -3.029 1.00 14.22 C ATOM 1606 CD2 LEU A 101 0.331 -14.822 -1.873 1.00 55.04 C ATOM 0 H LEU A 101 -1.310 -11.548 1.409 1.00 50.41 H new ATOM 0 HA LEU A 101 -3.049 -12.322 -0.826 1.00 71.45 H new ATOM 0 HB2 LEU A 101 -0.639 -12.108 -1.223 1.00 14.43 H new ATOM 0 HB3 LEU A 101 -0.290 -13.209 0.095 1.00 14.43 H new ATOM 0 HG LEU A 101 -1.697 -14.951 -1.241 1.00 3.14 H new ATOM 0 HD11 LEU A 101 -1.714 -14.666 -3.691 1.00 14.22 H new ATOM 0 HD12 LEU A 101 -2.723 -13.460 -2.857 1.00 14.22 H new ATOM 0 HD13 LEU A 101 -1.126 -12.998 -3.491 1.00 14.22 H new ATOM 0 HD21 LEU A 101 0.259 -15.656 -2.571 1.00 55.04 H new ATOM 0 HD22 LEU A 101 1.021 -14.076 -2.268 1.00 55.04 H new ATOM 0 HD23 LEU A 101 0.699 -15.183 -0.913 1.00 55.04 H new ATOM 1618 N GLU A 102 -4.013 -14.403 0.246 1.00 63.33 N ATOM 1619 CA GLU A 102 -4.694 -15.539 0.880 1.00 15.44 C ATOM 1620 C GLU A 102 -3.790 -16.806 0.890 1.00 45.35 C ATOM 1621 O GLU A 102 -3.018 -17.010 -0.054 1.00 42.44 O ATOM 1622 CB GLU A 102 -6.015 -15.823 0.130 1.00 53.03 C ATOM 1623 CG GLU A 102 -6.990 -14.631 0.034 1.00 74.40 C ATOM 1624 CD GLU A 102 -7.577 -14.207 1.390 1.00 50.00 C ATOM 1625 OE1 GLU A 102 -6.963 -13.373 2.084 1.00 11.00 O ATOM 1626 OE2 GLU A 102 -8.663 -14.717 1.772 1.00 34.11 O ATOM 0 H GLU A 102 -4.464 -14.087 -0.613 1.00 63.33 H new ATOM 0 HA GLU A 102 -4.910 -15.284 1.917 1.00 15.44 H new ATOM 0 HB2 GLU A 102 -5.775 -16.157 -0.880 1.00 53.03 H new ATOM 0 HB3 GLU A 102 -6.525 -16.649 0.626 1.00 53.03 H new ATOM 0 HG2 GLU A 102 -6.470 -13.782 -0.409 1.00 74.40 H new ATOM 0 HG3 GLU A 102 -7.806 -14.893 -0.640 1.00 74.40 H new ATOM 1633 N PRO A 103 -3.871 -17.662 1.966 1.00 61.20 N ATOM 1634 CA PRO A 103 -3.020 -18.875 2.104 1.00 24.42 C ATOM 1635 C PRO A 103 -3.189 -19.898 0.956 1.00 41.43 C ATOM 1636 O PRO A 103 -2.216 -20.518 0.514 1.00 11.20 O ATOM 1637 CB PRO A 103 -3.454 -19.478 3.469 1.00 23.41 C ATOM 1638 CG PRO A 103 -4.078 -18.334 4.206 1.00 64.34 C ATOM 1639 CD PRO A 103 -4.760 -17.499 3.147 1.00 2.02 C ATOM 0 HA PRO A 103 -1.962 -18.617 2.056 1.00 24.42 H new ATOM 0 HB2 PRO A 103 -4.162 -20.296 3.334 1.00 23.41 H new ATOM 0 HB3 PRO A 103 -2.600 -19.882 4.013 1.00 23.41 H new ATOM 0 HG2 PRO A 103 -4.793 -18.688 4.948 1.00 64.34 H new ATOM 0 HG3 PRO A 103 -3.326 -17.753 4.740 1.00 64.34 H new ATOM 0 HD2 PRO A 103 -5.770 -17.853 2.943 1.00 2.02 H new ATOM 0 HD3 PRO A 103 -4.843 -16.455 3.448 1.00 2.02 H new ATOM 1647 N GLY A 104 -4.433 -20.053 0.478 1.00 23.34 N ATOM 1648 CA GLY A 104 -4.758 -21.009 -0.594 1.00 44.14 C ATOM 1649 C GLY A 104 -5.283 -20.328 -1.852 1.00 11.22 C ATOM 1650 O GLY A 104 -4.942 -20.728 -2.969 1.00 71.23 O ATOM 0 H GLY A 104 -5.236 -19.525 0.819 1.00 23.34 H new ATOM 0 HA2 GLY A 104 -3.867 -21.586 -0.843 1.00 44.14 H new ATOM 0 HA3 GLY A 104 -5.504 -21.716 -0.231 1.00 44.14 H new ATOM 1654 N ASN A 105 -6.124 -19.301 -1.664 1.00 55.52 N ATOM 1655 CA ASN A 105 -6.778 -18.555 -2.767 1.00 42.42 C ATOM 1656 C ASN A 105 -5.770 -17.620 -3.482 1.00 51.12 C ATOM 1657 O ASN A 105 -4.937 -16.984 -2.831 1.00 63.41 O ATOM 1658 CB ASN A 105 -7.992 -17.757 -2.193 1.00 15.32 C ATOM 1659 CG ASN A 105 -8.684 -16.820 -3.192 1.00 14.11 C ATOM 1660 OD1 ASN A 105 -8.769 -17.105 -4.387 1.00 63.11 O ATOM 1661 ND2 ASN A 105 -9.177 -15.690 -2.707 1.00 63.45 N ATOM 0 H ASN A 105 -6.376 -18.956 -0.738 1.00 55.52 H new ATOM 0 HA ASN A 105 -7.140 -19.260 -3.516 1.00 42.42 H new ATOM 0 HB2 ASN A 105 -8.728 -18.467 -1.814 1.00 15.32 H new ATOM 0 HB3 ASN A 105 -7.650 -17.168 -1.342 1.00 15.32 H new ATOM 0 HD21 ASN A 105 -9.642 -15.028 -3.328 1.00 63.45 H new ATOM 0 HD22 ASN A 105 -9.091 -15.482 -1.712 1.00 63.45 H new ATOM 1668 N SER A 106 -5.881 -17.537 -4.823 1.00 24.45 N ATOM 1669 CA SER A 106 -4.956 -16.765 -5.684 1.00 15.41 C ATOM 1670 C SER A 106 -5.398 -15.292 -5.814 1.00 35.13 C ATOM 1671 O SER A 106 -5.472 -14.737 -6.922 1.00 13.44 O ATOM 1672 CB SER A 106 -4.869 -17.445 -7.067 1.00 33.01 C ATOM 1673 OG SER A 106 -4.446 -18.791 -6.945 1.00 52.22 O ATOM 0 H SER A 106 -6.620 -18.007 -5.345 1.00 24.45 H new ATOM 0 HA SER A 106 -3.968 -16.756 -5.223 1.00 15.41 H new ATOM 0 HB2 SER A 106 -5.843 -17.409 -7.556 1.00 33.01 H new ATOM 0 HB3 SER A 106 -4.173 -16.897 -7.702 1.00 33.01 H new ATOM 0 HG SER A 106 -4.400 -19.201 -7.834 1.00 52.22 H new ATOM 1679 N GLU A 107 -5.638 -14.648 -4.661 1.00 23.45 N ATOM 1680 CA GLU A 107 -6.088 -13.251 -4.584 1.00 41.21 C ATOM 1681 C GLU A 107 -5.445 -12.555 -3.378 1.00 33.25 C ATOM 1682 O GLU A 107 -5.027 -13.201 -2.410 1.00 3.23 O ATOM 1683 CB GLU A 107 -7.643 -13.140 -4.501 1.00 74.42 C ATOM 1684 CG GLU A 107 -8.391 -13.529 -5.792 1.00 55.20 C ATOM 1685 CD GLU A 107 -9.922 -13.419 -5.665 1.00 43.12 C ATOM 1686 OE1 GLU A 107 -10.538 -14.315 -5.057 1.00 11.00 O ATOM 1687 OE2 GLU A 107 -10.519 -12.448 -6.171 1.00 2.20 O ATOM 0 H GLU A 107 -5.524 -15.088 -3.748 1.00 23.45 H new ATOM 0 HA GLU A 107 -5.772 -12.755 -5.502 1.00 41.21 H new ATOM 0 HB2 GLU A 107 -7.995 -13.776 -3.689 1.00 74.42 H new ATOM 0 HB3 GLU A 107 -7.906 -12.115 -4.241 1.00 74.42 H new ATOM 0 HG2 GLU A 107 -8.054 -12.888 -6.606 1.00 55.20 H new ATOM 0 HG3 GLU A 107 -8.128 -14.552 -6.062 1.00 55.20 H new ATOM 1694 N MET A 108 -5.397 -11.226 -3.462 1.00 22.35 N ATOM 1695 CA MET A 108 -4.839 -10.341 -2.444 1.00 10.54 C ATOM 1696 C MET A 108 -5.908 -9.308 -2.074 1.00 51.43 C ATOM 1697 O MET A 108 -6.610 -8.808 -2.943 1.00 2.22 O ATOM 1698 CB MET A 108 -3.564 -9.620 -2.982 1.00 2.11 C ATOM 1699 CG MET A 108 -2.985 -8.544 -2.043 1.00 32.20 C ATOM 1700 SD MET A 108 -1.564 -7.683 -2.739 1.00 42.43 S ATOM 1701 CE MET A 108 -0.312 -8.955 -2.650 1.00 72.22 C ATOM 0 H MET A 108 -5.759 -10.719 -4.270 1.00 22.35 H new ATOM 0 HA MET A 108 -4.551 -10.921 -1.567 1.00 10.54 H new ATOM 0 HB2 MET A 108 -2.794 -10.368 -3.173 1.00 2.11 H new ATOM 0 HB3 MET A 108 -3.803 -9.156 -3.939 1.00 2.11 H new ATOM 0 HG2 MET A 108 -3.763 -7.817 -1.810 1.00 32.20 H new ATOM 0 HG3 MET A 108 -2.693 -9.011 -1.102 1.00 32.20 H new ATOM 0 HE1 MET A 108 0.660 -8.527 -2.895 1.00 72.22 H new ATOM 0 HE2 MET A 108 -0.283 -9.367 -1.641 1.00 72.22 H new ATOM 0 HE3 MET A 108 -0.548 -9.748 -3.360 1.00 72.22 H new ATOM 1711 N GLN A 109 -6.018 -8.995 -0.786 1.00 21.02 N ATOM 1712 CA GLN A 109 -6.915 -7.967 -0.266 1.00 41.43 C ATOM 1713 C GLN A 109 -6.068 -6.721 0.011 1.00 2.10 C ATOM 1714 O GLN A 109 -5.076 -6.793 0.741 1.00 70.21 O ATOM 1715 CB GLN A 109 -7.617 -8.479 1.024 1.00 42.10 C ATOM 1716 CG GLN A 109 -8.463 -9.741 0.795 1.00 22.21 C ATOM 1717 CD GLN A 109 -9.240 -10.190 2.035 1.00 14.14 C ATOM 1718 OE1 GLN A 109 -10.378 -9.765 2.262 1.00 5.32 O ATOM 1719 NE2 GLN A 109 -8.648 -11.066 2.833 1.00 71.14 N ATOM 0 H GLN A 109 -5.474 -9.459 -0.059 1.00 21.02 H new ATOM 0 HA GLN A 109 -7.700 -7.726 -0.983 1.00 41.43 H new ATOM 0 HB2 GLN A 109 -6.862 -8.689 1.782 1.00 42.10 H new ATOM 0 HB3 GLN A 109 -8.255 -7.689 1.420 1.00 42.10 H new ATOM 0 HG2 GLN A 109 -9.166 -9.555 -0.017 1.00 22.21 H new ATOM 0 HG3 GLN A 109 -7.811 -10.552 0.472 1.00 22.21 H new ATOM 0 HE21 GLN A 109 -7.708 -11.398 2.618 1.00 71.14 H new ATOM 0 HE22 GLN A 109 -9.132 -11.409 3.662 1.00 71.14 H new ATOM 1728 N ILE A 110 -6.445 -5.601 -0.608 1.00 2.53 N ATOM 1729 CA ILE A 110 -5.726 -4.326 -0.485 1.00 72.20 C ATOM 1730 C ILE A 110 -6.611 -3.382 0.354 1.00 45.42 C ATOM 1731 O ILE A 110 -7.677 -2.975 -0.103 1.00 20.41 O ATOM 1732 CB ILE A 110 -5.408 -3.671 -1.905 1.00 63.41 C ATOM 1733 CG1 ILE A 110 -4.518 -4.602 -2.825 1.00 13.44 C ATOM 1734 CG2 ILE A 110 -4.726 -2.290 -1.726 1.00 51.11 C ATOM 1735 CD1 ILE A 110 -5.239 -5.768 -3.494 1.00 50.44 C ATOM 0 H ILE A 110 -7.264 -5.550 -1.214 1.00 2.53 H new ATOM 0 HA ILE A 110 -4.762 -4.498 -0.006 1.00 72.20 H new ATOM 0 HB ILE A 110 -6.365 -3.542 -2.410 1.00 63.41 H new ATOM 0 HG12 ILE A 110 -4.066 -3.986 -3.603 1.00 13.44 H new ATOM 0 HG13 ILE A 110 -3.703 -5.003 -2.222 1.00 13.44 H new ATOM 0 HG21 ILE A 110 -4.516 -1.858 -2.705 1.00 51.11 H new ATOM 0 HG22 ILE A 110 -5.389 -1.626 -1.171 1.00 51.11 H new ATOM 0 HG23 ILE A 110 -3.793 -2.414 -1.177 1.00 51.11 H new ATOM 0 HD11 ILE A 110 -4.531 -6.335 -4.098 1.00 50.44 H new ATOM 0 HD12 ILE A 110 -5.667 -6.418 -2.730 1.00 50.44 H new ATOM 0 HD13 ILE A 110 -6.035 -5.385 -4.132 1.00 50.44 H new ATOM 1747 N SER A 111 -6.152 -3.038 1.568 1.00 33.41 N ATOM 1748 CA SER A 111 -6.889 -2.168 2.494 1.00 3.30 C ATOM 1749 C SER A 111 -6.240 -0.780 2.463 1.00 64.43 C ATOM 1750 O SER A 111 -5.117 -0.605 2.948 1.00 13.12 O ATOM 1751 CB SER A 111 -6.856 -2.768 3.922 1.00 73.20 C ATOM 1752 OG SER A 111 -7.388 -4.083 3.939 1.00 31.44 O ATOM 0 H SER A 111 -5.255 -3.358 1.935 1.00 33.41 H new ATOM 0 HA SER A 111 -7.934 -2.086 2.195 1.00 3.30 H new ATOM 0 HB2 SER A 111 -5.830 -2.783 4.289 1.00 73.20 H new ATOM 0 HB3 SER A 111 -7.427 -2.133 4.599 1.00 73.20 H new ATOM 0 HG SER A 111 -7.354 -4.438 4.852 1.00 31.44 H new ATOM 1758 N VAL A 112 -6.933 0.182 1.842 1.00 64.21 N ATOM 1759 CA VAL A 112 -6.461 1.567 1.692 1.00 2.22 C ATOM 1760 C VAL A 112 -7.244 2.476 2.648 1.00 70.12 C ATOM 1761 O VAL A 112 -8.475 2.409 2.723 1.00 3.40 O ATOM 1762 CB VAL A 112 -6.637 2.099 0.213 1.00 12.43 C ATOM 1763 CG1 VAL A 112 -6.138 3.558 0.068 1.00 14.44 C ATOM 1764 CG2 VAL A 112 -5.936 1.167 -0.803 1.00 72.31 C ATOM 0 H VAL A 112 -7.849 0.020 1.424 1.00 64.21 H new ATOM 0 HA VAL A 112 -5.397 1.581 1.929 1.00 2.22 H new ATOM 0 HB VAL A 112 -7.704 2.095 -0.009 1.00 12.43 H new ATOM 0 HG11 VAL A 112 -6.275 3.889 -0.962 1.00 14.44 H new ATOM 0 HG12 VAL A 112 -6.707 4.205 0.736 1.00 14.44 H new ATOM 0 HG13 VAL A 112 -5.081 3.608 0.328 1.00 14.44 H new ATOM 0 HG21 VAL A 112 -6.074 1.558 -1.811 1.00 72.31 H new ATOM 0 HG22 VAL A 112 -4.871 1.117 -0.576 1.00 72.31 H new ATOM 0 HG23 VAL A 112 -6.368 0.168 -0.739 1.00 72.31 H new ATOM 1774 N LYS A 113 -6.505 3.303 3.376 1.00 22.44 N ATOM 1775 CA LYS A 113 -7.041 4.378 4.219 1.00 41.25 C ATOM 1776 C LYS A 113 -6.060 5.551 4.146 1.00 4.32 C ATOM 1777 O LYS A 113 -4.886 5.352 3.844 1.00 12.02 O ATOM 1778 CB LYS A 113 -7.249 3.898 5.684 1.00 64.25 C ATOM 1779 CG LYS A 113 -5.984 3.360 6.368 1.00 32.25 C ATOM 1780 CD LYS A 113 -6.223 2.881 7.816 1.00 50.31 C ATOM 1781 CE LYS A 113 -7.177 1.682 7.918 1.00 73.33 C ATOM 1782 NZ LYS A 113 -7.275 1.175 9.318 1.00 44.55 N ATOM 0 H LYS A 113 -5.487 3.248 3.401 1.00 22.44 H new ATOM 0 HA LYS A 113 -8.022 4.687 3.859 1.00 41.25 H new ATOM 0 HB2 LYS A 113 -7.639 4.729 6.272 1.00 64.25 H new ATOM 0 HB3 LYS A 113 -8.010 3.118 5.692 1.00 64.25 H new ATOM 0 HG2 LYS A 113 -5.587 2.532 5.781 1.00 32.25 H new ATOM 0 HG3 LYS A 113 -5.223 4.141 6.373 1.00 32.25 H new ATOM 0 HD2 LYS A 113 -5.266 2.612 8.263 1.00 50.31 H new ATOM 0 HD3 LYS A 113 -6.627 3.707 8.401 1.00 50.31 H new ATOM 0 HE2 LYS A 113 -8.167 1.973 7.566 1.00 73.33 H new ATOM 0 HE3 LYS A 113 -6.828 0.882 7.264 1.00 73.33 H new ATOM 0 HZ1 LYS A 113 -6.738 0.289 9.405 1.00 44.55 H new ATOM 0 HZ2 LYS A 113 -6.884 1.883 9.972 1.00 44.55 H new ATOM 0 HZ3 LYS A 113 -8.272 0.999 9.555 1.00 44.55 H new ATOM 1796 N GLN A 114 -6.537 6.766 4.401 1.00 12.20 N ATOM 1797 CA GLN A 114 -5.707 7.974 4.295 1.00 30.32 C ATOM 1798 C GLN A 114 -6.158 9.031 5.315 1.00 22.15 C ATOM 1799 O GLN A 114 -7.320 9.032 5.737 1.00 23.30 O ATOM 1800 CB GLN A 114 -5.728 8.528 2.841 1.00 2.21 C ATOM 1801 CG GLN A 114 -7.126 8.905 2.270 1.00 73.51 C ATOM 1802 CD GLN A 114 -7.770 7.838 1.364 1.00 31.51 C ATOM 1803 OE1 GLN A 114 -7.516 6.642 1.487 1.00 51.13 O ATOM 1804 NE2 GLN A 114 -8.626 8.273 0.453 1.00 23.32 N ATOM 0 H GLN A 114 -7.500 6.946 4.685 1.00 12.20 H new ATOM 0 HA GLN A 114 -4.675 7.712 4.530 1.00 30.32 H new ATOM 0 HB2 GLN A 114 -5.092 9.412 2.802 1.00 2.21 H new ATOM 0 HB3 GLN A 114 -5.279 7.783 2.184 1.00 2.21 H new ATOM 0 HG2 GLN A 114 -7.799 9.107 3.103 1.00 73.51 H new ATOM 0 HG3 GLN A 114 -7.032 9.832 1.704 1.00 73.51 H new ATOM 0 HE21 GLN A 114 -8.820 9.271 0.371 1.00 23.32 H new ATOM 0 HE22 GLN A 114 -9.092 7.610 -0.167 1.00 23.32 H new ATOM 1813 N ASN A 115 -5.221 9.934 5.696 1.00 63.43 N ATOM 1814 CA ASN A 115 -5.415 10.872 6.831 1.00 3.04 C ATOM 1815 C ASN A 115 -6.551 11.882 6.565 1.00 43.33 C ATOM 1816 O ASN A 115 -7.333 12.204 7.464 1.00 24.21 O ATOM 1817 CB ASN A 115 -4.080 11.589 7.213 1.00 32.23 C ATOM 1818 CG ASN A 115 -3.602 12.705 6.269 1.00 52.32 C ATOM 1819 OD1 ASN A 115 -3.060 13.716 6.720 1.00 53.22 O ATOM 1820 ND2 ASN A 115 -3.735 12.524 4.964 1.00 12.41 N ATOM 0 H ASN A 115 -4.318 10.033 5.231 1.00 63.43 H new ATOM 0 HA ASN A 115 -5.723 10.275 7.689 1.00 3.04 H new ATOM 0 HB2 ASN A 115 -4.195 12.013 8.211 1.00 32.23 H new ATOM 0 HB3 ASN A 115 -3.295 10.836 7.275 1.00 32.23 H new ATOM 0 HD21 ASN A 115 -3.386 13.228 4.313 1.00 12.41 H new ATOM 0 HD22 ASN A 115 -4.186 11.681 4.609 1.00 12.41 H new ATOM 1827 N GLU A 116 -6.631 12.365 5.318 1.00 34.41 N ATOM 1828 CA GLU A 116 -7.725 13.221 4.822 1.00 54.34 C ATOM 1829 C GLU A 116 -8.043 12.758 3.398 1.00 34.40 C ATOM 1830 O GLU A 116 -7.204 12.905 2.503 1.00 34.54 O ATOM 1831 CB GLU A 116 -7.337 14.733 4.825 1.00 12.54 C ATOM 1832 CG GLU A 116 -7.072 15.339 6.218 1.00 61.44 C ATOM 1833 CD GLU A 116 -6.781 16.850 6.180 1.00 5.41 C ATOM 1834 OE1 GLU A 116 -5.607 17.241 6.006 1.00 33.02 O ATOM 1835 OE2 GLU A 116 -7.733 17.658 6.311 1.00 3.01 O ATOM 0 H GLU A 116 -5.924 12.170 4.609 1.00 34.41 H new ATOM 0 HA GLU A 116 -8.591 13.126 5.477 1.00 54.34 H new ATOM 0 HB2 GLU A 116 -6.444 14.864 4.213 1.00 12.54 H new ATOM 0 HB3 GLU A 116 -8.137 15.298 4.347 1.00 12.54 H new ATOM 0 HG2 GLU A 116 -7.938 15.159 6.855 1.00 61.44 H new ATOM 0 HG3 GLU A 116 -6.227 14.825 6.675 1.00 61.44 H new ATOM 1842 N ALA A 117 -9.230 12.170 3.192 1.00 51.42 N ATOM 1843 CA ALA A 117 -9.604 11.560 1.912 1.00 54.33 C ATOM 1844 C ALA A 117 -9.994 12.626 0.883 1.00 13.21 C ATOM 1845 O ALA A 117 -10.956 13.375 1.091 1.00 3.34 O ATOM 1846 CB ALA A 117 -10.752 10.561 2.130 1.00 23.34 C ATOM 0 H ALA A 117 -9.955 12.105 3.907 1.00 51.42 H new ATOM 0 HA ALA A 117 -8.741 11.026 1.515 1.00 54.33 H new ATOM 0 HB1 ALA A 117 -11.027 10.110 1.177 1.00 23.34 H new ATOM 0 HB2 ALA A 117 -10.430 9.782 2.821 1.00 23.34 H new ATOM 0 HB3 ALA A 117 -11.614 11.082 2.547 1.00 23.34 H new ATOM 1852 N ARG A 118 -9.223 12.707 -0.213 1.00 62.32 N ATOM 1853 CA ARG A 118 -9.594 13.482 -1.403 1.00 4.45 C ATOM 1854 C ARG A 118 -9.927 12.462 -2.502 1.00 3.11 C ATOM 1855 O ARG A 118 -9.238 11.441 -2.612 1.00 63.44 O ATOM 1856 CB ARG A 118 -8.425 14.436 -1.777 1.00 42.45 C ATOM 1857 CG ARG A 118 -8.576 15.241 -3.083 1.00 71.32 C ATOM 1858 CD ARG A 118 -7.384 16.202 -3.315 1.00 14.32 C ATOM 1859 NE ARG A 118 -7.390 16.790 -4.669 1.00 43.12 N ATOM 1860 CZ ARG A 118 -6.315 16.902 -5.485 1.00 40.40 C ATOM 1861 NH1 ARG A 118 -5.106 16.488 -5.112 1.00 53.52 N ATOM 1862 NH2 ARG A 118 -6.463 17.473 -6.662 1.00 41.23 N ATOM 0 H ARG A 118 -8.323 12.235 -0.297 1.00 62.32 H new ATOM 0 HA ARG A 118 -10.463 14.120 -1.243 1.00 4.45 H new ATOM 0 HB2 ARG A 118 -8.286 15.141 -0.957 1.00 42.45 H new ATOM 0 HB3 ARG A 118 -7.512 13.844 -1.846 1.00 42.45 H new ATOM 0 HG2 ARG A 118 -8.656 14.554 -3.925 1.00 71.32 H new ATOM 0 HG3 ARG A 118 -9.502 15.814 -3.050 1.00 71.32 H new ATOM 0 HD2 ARG A 118 -7.416 17.001 -2.575 1.00 14.32 H new ATOM 0 HD3 ARG A 118 -6.450 15.662 -3.161 1.00 14.32 H new ATOM 0 HE ARG A 118 -8.280 17.142 -5.020 1.00 43.12 H new ATOM 0 HH11 ARG A 118 -4.971 16.073 -4.190 1.00 53.52 H new ATOM 0 HH12 ARG A 118 -4.315 16.585 -5.748 1.00 53.52 H new ATOM 0 HH21 ARG A 118 -7.377 17.823 -6.948 1.00 41.23 H new ATOM 0 HH22 ARG A 118 -5.663 17.565 -7.288 1.00 41.23 H new ATOM 1876 N THR A 119 -11.006 12.710 -3.261 1.00 13.45 N ATOM 1877 CA THR A 119 -11.474 11.788 -4.311 1.00 42.21 C ATOM 1878 C THR A 119 -10.378 11.574 -5.370 1.00 61.25 C ATOM 1879 O THR A 119 -10.095 10.438 -5.752 1.00 23.35 O ATOM 1880 CB THR A 119 -12.774 12.319 -4.998 1.00 21.31 C ATOM 1881 OG1 THR A 119 -13.751 12.654 -4.001 1.00 0.54 O ATOM 1882 CG2 THR A 119 -13.382 11.284 -5.969 1.00 11.15 C ATOM 0 H THR A 119 -11.577 13.550 -3.166 1.00 13.45 H new ATOM 0 HA THR A 119 -11.702 10.836 -3.833 1.00 42.21 H new ATOM 0 HB THR A 119 -12.498 13.203 -5.573 1.00 21.31 H new ATOM 0 HG1 THR A 119 -14.563 12.988 -4.437 1.00 0.54 H new ATOM 0 HG21 THR A 119 -14.283 11.696 -6.423 1.00 11.15 H new ATOM 0 HG22 THR A 119 -12.658 11.048 -6.749 1.00 11.15 H new ATOM 0 HG23 THR A 119 -13.634 10.376 -5.422 1.00 11.15 H new ATOM 1890 N GLU A 120 -9.735 12.692 -5.782 1.00 71.03 N ATOM 1891 CA GLU A 120 -8.650 12.686 -6.772 1.00 21.14 C ATOM 1892 C GLU A 120 -7.480 11.799 -6.301 1.00 13.20 C ATOM 1893 O GLU A 120 -7.037 10.919 -7.037 1.00 54.34 O ATOM 1894 CB GLU A 120 -8.149 14.133 -7.040 1.00 12.31 C ATOM 1895 CG GLU A 120 -6.983 14.254 -8.053 1.00 43.10 C ATOM 1896 CD GLU A 120 -7.315 13.703 -9.456 1.00 72.04 C ATOM 1897 OE1 GLU A 120 -7.996 14.401 -10.236 1.00 73.10 O ATOM 1898 OE2 GLU A 120 -6.910 12.564 -9.776 1.00 61.14 O ATOM 0 H GLU A 120 -9.961 13.623 -5.431 1.00 71.03 H new ATOM 0 HA GLU A 120 -9.044 12.272 -7.700 1.00 21.14 H new ATOM 0 HB2 GLU A 120 -8.987 14.728 -7.403 1.00 12.31 H new ATOM 0 HB3 GLU A 120 -7.833 14.571 -6.093 1.00 12.31 H new ATOM 0 HG2 GLU A 120 -6.700 15.303 -8.143 1.00 43.10 H new ATOM 0 HG3 GLU A 120 -6.116 13.722 -7.660 1.00 43.10 H new ATOM 1905 N THR A 121 -7.044 12.018 -5.045 1.00 21.12 N ATOM 1906 CA THR A 121 -5.876 11.333 -4.481 1.00 44.02 C ATOM 1907 C THR A 121 -6.114 9.824 -4.333 1.00 4.24 C ATOM 1908 O THR A 121 -5.234 9.031 -4.653 1.00 32.01 O ATOM 1909 CB THR A 121 -5.484 11.925 -3.098 1.00 53.22 C ATOM 1910 OG1 THR A 121 -6.598 11.848 -2.178 1.00 5.40 O ATOM 1911 CG2 THR A 121 -5.014 13.382 -3.218 1.00 50.35 C ATOM 0 H THR A 121 -7.491 12.671 -4.401 1.00 21.12 H new ATOM 0 HA THR A 121 -5.058 11.491 -5.184 1.00 44.02 H new ATOM 0 HB THR A 121 -4.656 11.330 -2.714 1.00 53.22 H new ATOM 0 HG1 THR A 121 -7.433 11.755 -2.682 1.00 5.40 H new ATOM 0 HG21 THR A 121 -4.749 13.761 -2.231 1.00 50.35 H new ATOM 0 HG22 THR A 121 -4.143 13.431 -3.872 1.00 50.35 H new ATOM 0 HG23 THR A 121 -5.816 13.990 -3.637 1.00 50.35 H new ATOM 1919 N LEU A 122 -7.314 9.448 -3.850 1.00 2.41 N ATOM 1920 CA LEU A 122 -7.702 8.046 -3.659 1.00 23.25 C ATOM 1921 C LEU A 122 -7.727 7.289 -5.001 1.00 41.11 C ATOM 1922 O LEU A 122 -7.111 6.234 -5.120 1.00 2.04 O ATOM 1923 CB LEU A 122 -9.084 7.948 -2.951 1.00 61.34 C ATOM 1924 CG LEU A 122 -9.621 6.498 -2.684 1.00 42.32 C ATOM 1925 CD1 LEU A 122 -8.635 5.658 -1.843 1.00 63.31 C ATOM 1926 CD2 LEU A 122 -11.021 6.534 -2.032 1.00 50.32 C ATOM 0 H LEU A 122 -8.040 10.113 -3.582 1.00 2.41 H new ATOM 0 HA LEU A 122 -6.954 7.577 -3.020 1.00 23.25 H new ATOM 0 HB2 LEU A 122 -9.019 8.471 -1.997 1.00 61.34 H new ATOM 0 HB3 LEU A 122 -9.818 8.480 -3.556 1.00 61.34 H new ATOM 0 HG LEU A 122 -9.712 6.007 -3.653 1.00 42.32 H new ATOM 0 HD11 LEU A 122 -9.049 4.662 -1.684 1.00 63.31 H new ATOM 0 HD12 LEU A 122 -7.685 5.576 -2.371 1.00 63.31 H new ATOM 0 HD13 LEU A 122 -8.474 6.142 -0.880 1.00 63.31 H new ATOM 0 HD21 LEU A 122 -11.368 5.515 -1.859 1.00 50.32 H new ATOM 0 HD22 LEU A 122 -10.966 7.065 -1.082 1.00 50.32 H new ATOM 0 HD23 LEU A 122 -11.718 7.047 -2.695 1.00 50.32 H new ATOM 1938 N ASN A 123 -8.408 7.869 -6.012 1.00 33.14 N ATOM 1939 CA ASN A 123 -8.578 7.238 -7.343 1.00 53.32 C ATOM 1940 C ASN A 123 -7.225 7.025 -8.034 1.00 64.20 C ATOM 1941 O ASN A 123 -6.958 5.951 -8.583 1.00 23.33 O ATOM 1942 CB ASN A 123 -9.497 8.097 -8.255 1.00 43.11 C ATOM 1943 CG ASN A 123 -10.930 8.222 -7.734 1.00 73.20 C ATOM 1944 OD1 ASN A 123 -11.445 7.338 -7.045 1.00 32.23 O ATOM 1945 ND2 ASN A 123 -11.592 9.320 -8.073 1.00 12.31 N ATOM 0 H ASN A 123 -8.854 8.783 -5.932 1.00 33.14 H new ATOM 0 HA ASN A 123 -9.046 6.267 -7.181 1.00 53.32 H new ATOM 0 HB2 ASN A 123 -9.067 9.094 -8.355 1.00 43.11 H new ATOM 0 HB3 ASN A 123 -9.519 7.658 -9.252 1.00 43.11 H new ATOM 0 HD21 ASN A 123 -12.555 9.451 -7.763 1.00 12.31 H new ATOM 0 HD22 ASN A 123 -11.138 10.033 -8.644 1.00 12.31 H new ATOM 1952 N SER A 124 -6.370 8.055 -7.970 1.00 12.51 N ATOM 1953 CA SER A 124 -5.043 8.022 -8.588 1.00 50.42 C ATOM 1954 C SER A 124 -4.099 7.071 -7.824 1.00 61.23 C ATOM 1955 O SER A 124 -3.235 6.447 -8.435 1.00 73.14 O ATOM 1956 CB SER A 124 -4.465 9.445 -8.664 1.00 41.11 C ATOM 1957 OG SER A 124 -4.400 10.051 -7.386 1.00 41.13 O ATOM 0 H SER A 124 -6.580 8.930 -7.490 1.00 12.51 H new ATOM 0 HA SER A 124 -5.138 7.635 -9.602 1.00 50.42 H new ATOM 0 HB2 SER A 124 -3.467 9.410 -9.102 1.00 41.11 H new ATOM 0 HB3 SER A 124 -5.082 10.054 -9.325 1.00 41.11 H new ATOM 0 HG SER A 124 -5.282 10.403 -7.146 1.00 41.13 H new ATOM 1963 N PHE A 125 -4.300 6.956 -6.491 1.00 70.31 N ATOM 1964 CA PHE A 125 -3.526 6.037 -5.625 1.00 33.51 C ATOM 1965 C PHE A 125 -3.846 4.566 -5.955 1.00 15.14 C ATOM 1966 O PHE A 125 -2.942 3.721 -6.020 1.00 1.34 O ATOM 1967 CB PHE A 125 -3.813 6.311 -4.126 1.00 51.44 C ATOM 1968 CG PHE A 125 -2.951 5.490 -3.174 1.00 52.12 C ATOM 1969 CD1 PHE A 125 -1.569 5.688 -3.125 1.00 53.23 C ATOM 1970 CD2 PHE A 125 -3.502 4.502 -2.356 1.00 22.41 C ATOM 1971 CE1 PHE A 125 -0.777 4.935 -2.287 1.00 21.04 C ATOM 1972 CE2 PHE A 125 -2.703 3.747 -1.521 1.00 3.10 C ATOM 1973 CZ PHE A 125 -1.339 3.965 -1.488 1.00 10.23 C ATOM 0 H PHE A 125 -5.002 7.497 -5.986 1.00 70.31 H new ATOM 0 HA PHE A 125 -2.469 6.219 -5.819 1.00 33.51 H new ATOM 0 HB2 PHE A 125 -3.654 7.370 -3.923 1.00 51.44 H new ATOM 0 HB3 PHE A 125 -4.863 6.101 -3.923 1.00 51.44 H new ATOM 0 HD1 PHE A 125 -1.116 6.441 -3.752 1.00 53.23 H new ATOM 0 HD2 PHE A 125 -4.567 4.326 -2.377 1.00 22.41 H new ATOM 0 HE1 PHE A 125 0.289 5.106 -2.257 1.00 21.04 H new ATOM 0 HE2 PHE A 125 -3.144 2.986 -0.894 1.00 3.10 H new ATOM 0 HZ PHE A 125 -0.714 3.374 -0.835 1.00 10.23 H new ATOM 1983 N ILE A 126 -5.151 4.286 -6.147 1.00 4.11 N ATOM 1984 CA ILE A 126 -5.652 2.971 -6.591 1.00 64.33 C ATOM 1985 C ILE A 126 -5.052 2.646 -7.968 1.00 11.45 C ATOM 1986 O ILE A 126 -4.578 1.542 -8.184 1.00 71.55 O ATOM 1987 CB ILE A 126 -7.232 2.948 -6.660 1.00 52.51 C ATOM 1988 CG1 ILE A 126 -7.855 3.190 -5.245 1.00 65.42 C ATOM 1989 CG2 ILE A 126 -7.769 1.628 -7.278 1.00 45.01 C ATOM 1990 CD1 ILE A 126 -9.354 3.450 -5.247 1.00 5.01 C ATOM 0 H ILE A 126 -5.891 4.971 -5.997 1.00 4.11 H new ATOM 0 HA ILE A 126 -5.347 2.216 -5.866 1.00 64.33 H new ATOM 0 HB ILE A 126 -7.537 3.762 -7.318 1.00 52.51 H new ATOM 0 HG12 ILE A 126 -7.652 2.321 -4.620 1.00 65.42 H new ATOM 0 HG13 ILE A 126 -7.353 4.040 -4.782 1.00 65.42 H new ATOM 0 HG21 ILE A 126 -8.858 1.656 -7.306 1.00 45.01 H new ATOM 0 HG22 ILE A 126 -7.383 1.517 -8.291 1.00 45.01 H new ATOM 0 HG23 ILE A 126 -7.443 0.783 -6.671 1.00 45.01 H new ATOM 0 HD11 ILE A 126 -9.698 3.606 -4.224 1.00 5.01 H new ATOM 0 HD12 ILE A 126 -9.568 4.338 -5.842 1.00 5.01 H new ATOM 0 HD13 ILE A 126 -9.871 2.592 -5.676 1.00 5.01 H new ATOM 2002 N SER A 127 -5.022 3.664 -8.857 1.00 33.11 N ATOM 2003 CA SER A 127 -4.458 3.538 -10.213 1.00 23.34 C ATOM 2004 C SER A 127 -2.930 3.260 -10.180 1.00 51.01 C ATOM 2005 O SER A 127 -2.413 2.583 -11.075 1.00 43.35 O ATOM 2006 CB SER A 127 -4.778 4.804 -11.043 1.00 54.32 C ATOM 2007 OG SER A 127 -6.184 5.023 -11.147 1.00 12.14 O ATOM 0 H SER A 127 -5.388 4.593 -8.652 1.00 33.11 H new ATOM 0 HA SER A 127 -4.926 2.678 -10.693 1.00 23.34 H new ATOM 0 HB2 SER A 127 -4.307 5.672 -10.580 1.00 54.32 H new ATOM 0 HB3 SER A 127 -4.350 4.703 -12.040 1.00 54.32 H new ATOM 0 HG SER A 127 -6.526 5.362 -10.294 1.00 12.14 H new ATOM 2013 N VAL A 128 -2.218 3.767 -9.135 1.00 42.12 N ATOM 2014 CA VAL A 128 -0.791 3.430 -8.897 1.00 0.13 C ATOM 2015 C VAL A 128 -0.667 1.931 -8.566 1.00 52.01 C ATOM 2016 O VAL A 128 0.086 1.211 -9.219 1.00 1.12 O ATOM 2017 CB VAL A 128 -0.149 4.288 -7.726 1.00 15.41 C ATOM 2018 CG1 VAL A 128 1.301 3.843 -7.403 1.00 60.03 C ATOM 2019 CG2 VAL A 128 -0.186 5.792 -8.051 1.00 3.04 C ATOM 0 H VAL A 128 -2.611 4.409 -8.447 1.00 42.12 H new ATOM 0 HA VAL A 128 -0.243 3.667 -9.809 1.00 0.13 H new ATOM 0 HB VAL A 128 -0.756 4.109 -6.839 1.00 15.41 H new ATOM 0 HG11 VAL A 128 1.699 4.458 -6.596 1.00 60.03 H new ATOM 0 HG12 VAL A 128 1.301 2.797 -7.096 1.00 60.03 H new ATOM 0 HG13 VAL A 128 1.924 3.961 -8.290 1.00 60.03 H new ATOM 0 HG21 VAL A 128 0.261 6.353 -7.230 1.00 3.04 H new ATOM 0 HG22 VAL A 128 0.375 5.980 -8.967 1.00 3.04 H new ATOM 0 HG23 VAL A 128 -1.220 6.110 -8.187 1.00 3.04 H new ATOM 2029 N LEU A 129 -1.454 1.485 -7.560 1.00 4.12 N ATOM 2030 CA LEU A 129 -1.515 0.072 -7.125 1.00 62.44 C ATOM 2031 C LEU A 129 -1.905 -0.867 -8.294 1.00 65.14 C ATOM 2032 O LEU A 129 -1.408 -1.986 -8.384 1.00 50.10 O ATOM 2033 CB LEU A 129 -2.517 -0.086 -5.942 1.00 70.25 C ATOM 2034 CG LEU A 129 -2.218 0.769 -4.665 1.00 24.22 C ATOM 2035 CD1 LEU A 129 -3.336 0.604 -3.618 1.00 21.22 C ATOM 2036 CD2 LEU A 129 -0.832 0.443 -4.057 1.00 34.31 C ATOM 0 H LEU A 129 -2.068 2.099 -7.025 1.00 4.12 H new ATOM 0 HA LEU A 129 -0.520 -0.217 -6.788 1.00 62.44 H new ATOM 0 HB2 LEU A 129 -3.514 0.171 -6.301 1.00 70.25 H new ATOM 0 HB3 LEU A 129 -2.543 -1.137 -5.653 1.00 70.25 H new ATOM 0 HG LEU A 129 -2.192 1.814 -4.975 1.00 24.22 H new ATOM 0 HD11 LEU A 129 -3.105 1.208 -2.741 1.00 21.22 H new ATOM 0 HD12 LEU A 129 -4.285 0.931 -4.044 1.00 21.22 H new ATOM 0 HD13 LEU A 129 -3.411 -0.444 -3.328 1.00 21.22 H new ATOM 0 HD21 LEU A 129 -0.668 1.060 -3.173 1.00 34.31 H new ATOM 0 HD22 LEU A 129 -0.796 -0.610 -3.776 1.00 34.31 H new ATOM 0 HD23 LEU A 129 -0.054 0.649 -4.793 1.00 34.31 H new ATOM 2048 N GLU A 130 -2.771 -0.369 -9.197 1.00 25.41 N ATOM 2049 CA GLU A 130 -3.210 -1.097 -10.400 1.00 10.35 C ATOM 2050 C GLU A 130 -2.055 -1.275 -11.389 1.00 61.30 C ATOM 2051 O GLU A 130 -1.856 -2.368 -11.925 1.00 3.12 O ATOM 2052 CB GLU A 130 -4.382 -0.335 -11.073 1.00 21.05 C ATOM 2053 CG GLU A 130 -5.710 -0.407 -10.307 1.00 3.12 C ATOM 2054 CD GLU A 130 -6.361 -1.793 -10.376 1.00 2.22 C ATOM 2055 OE1 GLU A 130 -7.129 -2.046 -11.327 1.00 64.24 O ATOM 2056 OE2 GLU A 130 -6.097 -2.629 -9.498 1.00 24.12 O ATOM 0 H GLU A 130 -3.188 0.558 -9.110 1.00 25.41 H new ATOM 0 HA GLU A 130 -3.549 -2.089 -10.100 1.00 10.35 H new ATOM 0 HB2 GLU A 130 -4.100 0.711 -11.188 1.00 21.05 H new ATOM 0 HB3 GLU A 130 -4.533 -0.737 -12.075 1.00 21.05 H new ATOM 0 HG2 GLU A 130 -5.537 -0.143 -9.264 1.00 3.12 H new ATOM 0 HG3 GLU A 130 -6.399 0.334 -10.713 1.00 3.12 H new ATOM 2063 N THR A 131 -1.310 -0.181 -11.620 1.00 61.44 N ATOM 2064 CA THR A 131 -0.160 -0.171 -12.529 1.00 13.03 C ATOM 2065 C THR A 131 0.950 -1.108 -12.013 1.00 34.41 C ATOM 2066 O THR A 131 1.423 -1.961 -12.755 1.00 51.20 O ATOM 2067 CB THR A 131 0.405 1.282 -12.724 1.00 10.04 C ATOM 2068 OG1 THR A 131 -0.645 2.170 -13.143 1.00 44.34 O ATOM 2069 CG2 THR A 131 1.539 1.333 -13.766 1.00 0.21 C ATOM 0 H THR A 131 -1.492 0.721 -11.179 1.00 61.44 H new ATOM 0 HA THR A 131 -0.504 -0.533 -13.498 1.00 13.03 H new ATOM 0 HB THR A 131 0.809 1.595 -11.761 1.00 10.04 H new ATOM 0 HG1 THR A 131 -1.320 2.235 -12.436 1.00 44.34 H new ATOM 0 HG21 THR A 131 1.896 2.358 -13.865 1.00 0.21 H new ATOM 0 HG22 THR A 131 2.359 0.692 -13.442 1.00 0.21 H new ATOM 0 HG23 THR A 131 1.165 0.985 -14.729 1.00 0.21 H new ATOM 2077 N VAL A 132 1.289 -0.976 -10.714 1.00 45.23 N ATOM 2078 CA VAL A 132 2.403 -1.718 -10.091 1.00 1.24 C ATOM 2079 C VAL A 132 2.098 -3.227 -10.043 1.00 51.24 C ATOM 2080 O VAL A 132 2.847 -4.023 -10.607 1.00 10.12 O ATOM 2081 CB VAL A 132 2.728 -1.172 -8.642 1.00 3.14 C ATOM 2082 CG1 VAL A 132 3.820 -2.018 -7.942 1.00 41.40 C ATOM 2083 CG2 VAL A 132 3.142 0.317 -8.703 1.00 63.10 C ATOM 0 H VAL A 132 0.800 -0.354 -10.070 1.00 45.23 H new ATOM 0 HA VAL A 132 3.286 -1.562 -10.711 1.00 1.24 H new ATOM 0 HB VAL A 132 1.819 -1.256 -8.046 1.00 3.14 H new ATOM 0 HG11 VAL A 132 4.015 -1.611 -6.950 1.00 41.40 H new ATOM 0 HG12 VAL A 132 3.479 -3.049 -7.851 1.00 41.40 H new ATOM 0 HG13 VAL A 132 4.736 -1.990 -8.532 1.00 41.40 H new ATOM 0 HG21 VAL A 132 3.362 0.675 -7.697 1.00 63.10 H new ATOM 0 HG22 VAL A 132 4.029 0.423 -9.328 1.00 63.10 H new ATOM 0 HG23 VAL A 132 2.327 0.904 -9.127 1.00 63.10 H new ATOM 2093 N ILE A 133 0.948 -3.593 -9.444 1.00 74.13 N ATOM 2094 CA ILE A 133 0.536 -5.005 -9.283 1.00 31.14 C ATOM 2095 C ILE A 133 0.297 -5.638 -10.674 1.00 43.23 C ATOM 2096 O ILE A 133 0.874 -6.680 -10.999 1.00 52.14 O ATOM 2097 CB ILE A 133 -0.749 -5.119 -8.355 1.00 5.51 C ATOM 2098 CG1 ILE A 133 -0.398 -4.691 -6.880 1.00 32.43 C ATOM 2099 CG2 ILE A 133 -1.396 -6.529 -8.407 1.00 33.15 C ATOM 2100 CD1 ILE A 133 -1.553 -4.738 -5.890 1.00 55.14 C ATOM 0 H ILE A 133 0.281 -2.924 -9.060 1.00 74.13 H new ATOM 0 HA ILE A 133 1.335 -5.557 -8.788 1.00 31.14 H new ATOM 0 HB ILE A 133 -1.499 -4.430 -8.744 1.00 5.51 H new ATOM 0 HG12 ILE A 133 0.399 -5.338 -6.513 1.00 32.43 H new ATOM 0 HG13 ILE A 133 -0.001 -3.676 -6.900 1.00 32.43 H new ATOM 0 HG21 ILE A 133 -2.270 -6.553 -7.755 1.00 33.15 H new ATOM 0 HG22 ILE A 133 -1.700 -6.752 -9.430 1.00 33.15 H new ATOM 0 HG23 ILE A 133 -0.674 -7.273 -8.072 1.00 33.15 H new ATOM 0 HD11 ILE A 133 -1.202 -4.425 -4.907 1.00 55.14 H new ATOM 0 HD12 ILE A 133 -2.345 -4.068 -6.223 1.00 55.14 H new ATOM 0 HD13 ILE A 133 -1.940 -5.755 -5.830 1.00 55.14 H new ATOM 2112 N GLY A 134 -0.469 -4.918 -11.514 1.00 22.01 N ATOM 2113 CA GLY A 134 -0.858 -5.382 -12.848 1.00 73.54 C ATOM 2114 C GLY A 134 0.320 -5.679 -13.776 1.00 12.51 C ATOM 2115 O GLY A 134 0.380 -6.766 -14.378 1.00 34.13 O ATOM 0 H GLY A 134 -0.834 -3.995 -11.281 1.00 22.01 H new ATOM 0 HA2 GLY A 134 -1.461 -6.284 -12.745 1.00 73.54 H new ATOM 0 HA3 GLY A 134 -1.491 -4.626 -13.313 1.00 73.54 H new ATOM 2119 N THR A 135 1.284 -4.732 -13.855 1.00 63.03 N ATOM 2120 CA THR A 135 2.445 -4.834 -14.778 1.00 32.42 C ATOM 2121 C THR A 135 3.421 -5.952 -14.350 1.00 71.23 C ATOM 2122 O THR A 135 4.212 -6.447 -15.162 1.00 24.02 O ATOM 2123 CB THR A 135 3.220 -3.470 -14.923 1.00 11.52 C ATOM 2124 OG1 THR A 135 4.042 -3.491 -16.101 1.00 44.55 O ATOM 2125 CG2 THR A 135 4.110 -3.152 -13.702 1.00 62.25 C ATOM 0 H THR A 135 1.282 -3.884 -13.289 1.00 63.03 H new ATOM 0 HA THR A 135 2.030 -5.089 -15.753 1.00 32.42 H new ATOM 0 HB THR A 135 2.461 -2.691 -14.996 1.00 11.52 H new ATOM 0 HG1 THR A 135 4.518 -2.638 -16.183 1.00 44.55 H new ATOM 0 HG21 THR A 135 4.618 -2.201 -13.860 1.00 62.25 H new ATOM 0 HG22 THR A 135 3.491 -3.088 -12.807 1.00 62.25 H new ATOM 0 HG23 THR A 135 4.850 -3.942 -13.576 1.00 62.25 H new ATOM 2133 N ILE A 136 3.335 -6.346 -13.070 1.00 45.32 N ATOM 2134 CA ILE A 136 4.163 -7.412 -12.492 1.00 50.22 C ATOM 2135 C ILE A 136 3.456 -8.761 -12.678 1.00 0.05 C ATOM 2136 O ILE A 136 4.093 -9.774 -12.967 1.00 73.22 O ATOM 2137 CB ILE A 136 4.452 -7.111 -10.966 1.00 41.30 C ATOM 2138 CG1 ILE A 136 5.373 -5.852 -10.854 1.00 52.54 C ATOM 2139 CG2 ILE A 136 5.059 -8.327 -10.217 1.00 10.42 C ATOM 2140 CD1 ILE A 136 5.575 -5.328 -9.446 1.00 60.52 C ATOM 0 H ILE A 136 2.684 -5.930 -12.404 1.00 45.32 H new ATOM 0 HA ILE A 136 5.124 -7.454 -13.005 1.00 50.22 H new ATOM 0 HB ILE A 136 3.500 -6.909 -10.476 1.00 41.30 H new ATOM 0 HG12 ILE A 136 6.347 -6.095 -11.278 1.00 52.54 H new ATOM 0 HG13 ILE A 136 4.949 -5.055 -11.465 1.00 52.54 H new ATOM 0 HG21 ILE A 136 5.236 -8.061 -9.175 1.00 10.42 H new ATOM 0 HG22 ILE A 136 4.366 -9.167 -10.265 1.00 10.42 H new ATOM 0 HG23 ILE A 136 6.002 -8.608 -10.685 1.00 10.42 H new ATOM 0 HD11 ILE A 136 6.227 -4.455 -9.473 1.00 60.52 H new ATOM 0 HD12 ILE A 136 4.611 -5.048 -9.020 1.00 60.52 H new ATOM 0 HD13 ILE A 136 6.032 -6.104 -8.831 1.00 60.52 H new ATOM 2152 N GLU A 137 2.121 -8.739 -12.592 1.00 25.44 N ATOM 2153 CA GLU A 137 1.303 -9.958 -12.515 1.00 41.03 C ATOM 2154 C GLU A 137 0.736 -10.392 -13.865 1.00 4.04 C ATOM 2155 O GLU A 137 0.130 -11.469 -13.944 1.00 61.23 O ATOM 2156 CB GLU A 137 0.165 -9.774 -11.469 1.00 24.23 C ATOM 2157 CG GLU A 137 0.612 -10.020 -10.029 1.00 24.04 C ATOM 2158 CD GLU A 137 1.228 -11.419 -9.868 1.00 12.04 C ATOM 2159 OE1 GLU A 137 0.487 -12.422 -9.956 1.00 75.50 O ATOM 2160 OE2 GLU A 137 2.462 -11.523 -9.700 1.00 20.13 O ATOM 0 H GLU A 137 1.576 -7.877 -12.574 1.00 25.44 H new ATOM 0 HA GLU A 137 1.965 -10.762 -12.194 1.00 41.03 H new ATOM 0 HB2 GLU A 137 -0.231 -8.762 -11.550 1.00 24.23 H new ATOM 0 HB3 GLU A 137 -0.651 -10.456 -11.709 1.00 24.23 H new ATOM 0 HG2 GLU A 137 1.341 -9.264 -9.738 1.00 24.04 H new ATOM 0 HG3 GLU A 137 -0.241 -9.916 -9.358 1.00 24.04 H new ATOM 2167 N GLU A 138 0.899 -9.558 -14.910 1.00 10.12 N ATOM 2168 CA GLU A 138 0.462 -9.891 -16.284 1.00 21.25 C ATOM 2169 C GLU A 138 -1.088 -10.120 -16.314 1.00 31.33 C ATOM 2170 O GLU A 138 -1.607 -10.920 -17.103 1.00 40.21 O ATOM 2171 CB GLU A 138 1.295 -11.129 -16.788 1.00 13.24 C ATOM 2172 CG GLU A 138 1.171 -11.504 -18.285 1.00 31.13 C ATOM 2173 CD GLU A 138 2.017 -12.745 -18.669 1.00 65.14 C ATOM 2174 OE1 GLU A 138 1.757 -13.846 -18.120 1.00 70.51 O ATOM 2175 OE2 GLU A 138 2.943 -12.628 -19.516 1.00 61.31 O ATOM 0 H GLU A 138 1.334 -8.639 -14.829 1.00 10.12 H new ATOM 0 HA GLU A 138 0.654 -9.067 -16.971 1.00 21.25 H new ATOM 0 HB2 GLU A 138 2.347 -10.938 -16.574 1.00 13.24 H new ATOM 0 HB3 GLU A 138 1.002 -11.997 -16.197 1.00 13.24 H new ATOM 0 HG2 GLU A 138 0.124 -11.697 -18.520 1.00 31.13 H new ATOM 0 HG3 GLU A 138 1.483 -10.655 -18.894 1.00 31.13 H new ATOM 2182 N ILE A 139 -1.815 -9.360 -15.444 1.00 63.11 N ATOM 2183 CA ILE A 139 -3.278 -9.515 -15.230 1.00 50.51 C ATOM 2184 C ILE A 139 -4.054 -9.181 -16.531 1.00 60.11 C ATOM 2185 O ILE A 139 -4.086 -8.027 -16.972 1.00 72.11 O ATOM 2186 CB ILE A 139 -3.802 -8.621 -14.020 1.00 53.31 C ATOM 2187 CG1 ILE A 139 -3.004 -8.935 -12.715 1.00 1.41 C ATOM 2188 CG2 ILE A 139 -5.321 -8.823 -13.784 1.00 10.14 C ATOM 2189 CD1 ILE A 139 -3.405 -8.125 -11.487 1.00 24.44 C ATOM 0 H ILE A 139 -1.399 -8.624 -14.873 1.00 63.11 H new ATOM 0 HA ILE A 139 -3.461 -10.557 -14.966 1.00 50.51 H new ATOM 0 HB ILE A 139 -3.639 -7.577 -14.287 1.00 53.31 H new ATOM 0 HG12 ILE A 139 -3.122 -9.994 -12.484 1.00 1.41 H new ATOM 0 HG13 ILE A 139 -1.945 -8.767 -12.909 1.00 1.41 H new ATOM 0 HG21 ILE A 139 -5.646 -8.199 -12.952 1.00 10.14 H new ATOM 0 HG22 ILE A 139 -5.869 -8.543 -14.683 1.00 10.14 H new ATOM 0 HG23 ILE A 139 -5.517 -9.870 -13.551 1.00 10.14 H new ATOM 0 HD11 ILE A 139 -2.789 -8.422 -10.638 1.00 24.44 H new ATOM 0 HD12 ILE A 139 -3.259 -7.064 -11.688 1.00 24.44 H new ATOM 0 HD13 ILE A 139 -4.454 -8.309 -11.256 1.00 24.44 H new ATOM 2201 N LYS A 140 -4.655 -10.220 -17.139 1.00 54.23 N ATOM 2202 CA LYS A 140 -5.340 -10.129 -18.437 1.00 31.05 C ATOM 2203 C LYS A 140 -6.434 -11.206 -18.534 1.00 34.13 C ATOM 2204 O LYS A 140 -6.206 -12.369 -18.172 1.00 12.21 O ATOM 2205 CB LYS A 140 -4.312 -10.303 -19.590 1.00 41.21 C ATOM 2206 CG LYS A 140 -4.908 -10.228 -21.013 1.00 3.43 C ATOM 2207 CD LYS A 140 -3.868 -10.553 -22.111 1.00 1.32 C ATOM 2208 CE LYS A 140 -3.333 -11.995 -22.018 1.00 72.01 C ATOM 2209 NZ LYS A 140 -2.260 -12.259 -23.021 1.00 75.51 N ATOM 0 H LYS A 140 -4.678 -11.157 -16.736 1.00 54.23 H new ATOM 0 HA LYS A 140 -5.807 -9.148 -18.524 1.00 31.05 H new ATOM 0 HB2 LYS A 140 -3.546 -9.534 -19.492 1.00 41.21 H new ATOM 0 HB3 LYS A 140 -3.815 -11.266 -19.471 1.00 41.21 H new ATOM 0 HG2 LYS A 140 -5.743 -10.925 -21.091 1.00 3.43 H new ATOM 0 HG3 LYS A 140 -5.310 -9.229 -21.183 1.00 3.43 H new ATOM 0 HD2 LYS A 140 -4.321 -10.401 -23.091 1.00 1.32 H new ATOM 0 HD3 LYS A 140 -3.034 -9.855 -22.033 1.00 1.32 H new ATOM 0 HE2 LYS A 140 -2.944 -12.173 -21.016 1.00 72.01 H new ATOM 0 HE3 LYS A 140 -4.153 -12.697 -22.171 1.00 72.01 H new ATOM 0 HZ1 LYS A 140 -1.928 -13.240 -22.924 1.00 75.51 H new ATOM 0 HZ2 LYS A 140 -2.637 -12.114 -23.979 1.00 75.51 H new ATOM 0 HZ3 LYS A 140 -1.466 -11.607 -22.859 1.00 75.51 H new ATOM 2223 N SER A 141 -7.615 -10.801 -19.021 1.00 64.43 N ATOM 2224 CA SER A 141 -8.749 -11.702 -19.268 1.00 5.13 C ATOM 2225 C SER A 141 -9.068 -11.684 -20.791 1.00 44.01 C ATOM 2226 O SER A 141 -8.420 -12.441 -21.544 1.00 44.12 O ATOM 2227 CB SER A 141 -9.965 -11.272 -18.398 1.00 11.34 C ATOM 2228 OG SER A 141 -9.645 -11.268 -17.011 1.00 34.05 O ATOM 2229 OXT SER A 141 -9.912 -10.865 -21.239 1.00 37.55 O ATOM 0 H SER A 141 -7.812 -9.828 -19.257 1.00 64.43 H new ATOM 0 HA SER A 141 -8.505 -12.725 -18.983 1.00 5.13 H new ATOM 0 HB2 SER A 141 -10.294 -10.277 -18.698 1.00 11.34 H new ATOM 0 HB3 SER A 141 -10.799 -11.951 -18.577 1.00 11.34 H new ATOM 0 HG SER A 141 -10.431 -10.992 -16.495 1.00 34.05 H new TER 2235 SER A 141