USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 988 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 141 HIS :FLIP no HD1:sc= -0.193 F(o=-5,f=-3.9) USER MOD Set 1.2: A 145 GLN :FLIP amide:sc= -3.74! C(o=-5!,f=-3.9!) USER MOD Set 2.1: A 132 SER OG : rot -160:sc= -0.263 USER MOD Set 2.2: A 135 GLN : amide:sc= -0.934 X(o=-1.2,f=-1) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.52) USER MOD Single : A 72 SER OG : rot 55:sc= 1.3 USER MOD Single : A 74 SER OG : rot 180:sc= 0.039 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.5) USER MOD Single : A 77 SER OG : rot 180:sc= -0.126 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 56:sc= 0.858 USER MOD Single : A 82 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 91 THR OG1 : rot 166:sc= -1.54 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0974 K(o=-0.097,f=-1.9!) USER MOD Single : A 97 THR OG1 : rot -84:sc= -1.61 USER MOD Single : A 100 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.35) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= -5.05! C(o=-5!,f=-6.5!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 177:sc= 0.25 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl 149:sc= -4.98! (180deg=-7.66!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 168:sc= -0.0384 (180deg=-0.204) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= -1 X(o=-1,f=-0.82) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 1:sc= -0.889 USER MOD Single : B 518 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.013) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 51:sc= 0.0168 USER MOD Single : B 527 SER OG : rot 180:sc= 0.0455 USER MOD Single : B 529 SER OG : rot -56:sc= 0.74 USER MOD Single : B 531 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.056) USER MOD Single : B 532 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.8) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 SER OG : rot 180:sc= -0.215 USER MOD Single : B 545 LYS NZ :NH3+ -154:sc= -0.206 (180deg=-0.559) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= -0.103 USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 562 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 -2.683 3.046 -31.654 1.00 74.20 N ATOM 2 CA MET A 69 -1.243 2.856 -31.786 1.00 31.11 C ATOM 3 C MET A 69 -0.600 2.609 -30.424 1.00 50.54 C ATOM 4 O MET A 69 -0.980 3.224 -29.427 1.00 3.54 O ATOM 5 CB MET A 69 -0.605 4.076 -32.450 1.00 33.12 C ATOM 6 CG MET A 69 -0.944 4.212 -33.926 1.00 34.21 C ATOM 7 SD MET A 69 -0.568 5.851 -34.577 1.00 30.11 S ATOM 8 CE MET A 69 -0.803 5.581 -36.332 1.00 32.55 C ATOM 0 HA MET A 69 -1.073 1.980 -32.412 1.00 31.11 H new ATOM 0 HB2 MET A 69 -0.930 4.975 -31.927 1.00 33.12 H new ATOM 0 HB3 MET A 69 0.478 4.016 -32.338 1.00 33.12 H new ATOM 0 HG2 MET A 69 -0.389 3.464 -34.493 1.00 34.21 H new ATOM 0 HG3 MET A 69 -2.003 4.001 -34.072 1.00 34.21 H new ATOM 0 HE1 MET A 69 -0.607 6.507 -36.872 1.00 32.55 H new ATOM 0 HE2 MET A 69 -0.116 4.808 -36.676 1.00 32.55 H new ATOM 0 HE3 MET A 69 -1.829 5.264 -36.517 1.00 32.55 H new ATOM 18 N ASP A 70 0.373 1.705 -30.390 1.00 23.23 N ATOM 19 CA ASP A 70 1.068 1.378 -29.151 1.00 34.14 C ATOM 20 C ASP A 70 2.214 2.353 -28.897 1.00 65.45 C ATOM 21 O ASP A 70 2.656 3.057 -29.804 1.00 24.10 O ATOM 22 CB ASP A 70 1.603 -0.054 -29.204 1.00 21.10 C ATOM 23 CG ASP A 70 0.501 -1.077 -29.398 1.00 71.45 C ATOM 24 OD1 ASP A 70 0.552 -1.820 -30.402 1.00 15.14 O ATOM 25 OD2 ASP A 70 -0.411 -1.134 -28.548 1.00 53.42 O1- ATOM 0 H ASP A 70 0.698 1.186 -31.206 1.00 23.23 H new ATOM 0 HA ASP A 70 0.355 1.461 -28.331 1.00 34.14 H new ATOM 0 HB2 ASP A 70 2.322 -0.140 -30.019 1.00 21.10 H new ATOM 0 HB3 ASP A 70 2.139 -0.273 -28.281 1.00 21.10 H new ATOM 30 N ASN A 71 2.689 2.389 -27.656 1.00 22.14 N ATOM 31 CA ASN A 71 3.782 3.280 -27.282 1.00 34.12 C ATOM 32 C ASN A 71 4.609 2.680 -26.148 1.00 4.12 C ATOM 33 O ASN A 71 4.071 2.310 -25.104 1.00 65.53 O ATOM 34 CB ASN A 71 3.234 4.645 -26.862 1.00 71.13 C ATOM 35 CG ASN A 71 2.088 4.530 -25.877 1.00 0.32 C ATOM 36 OD1 ASN A 71 0.977 4.146 -26.241 1.00 3.23 O ATOM 37 ND2 ASN A 71 2.354 4.864 -24.619 1.00 4.42 N ATOM 0 H ASN A 71 2.335 1.812 -26.893 1.00 22.14 H new ATOM 0 HA ASN A 71 4.428 3.407 -28.151 1.00 34.12 H new ATOM 0 HB2 ASN A 71 4.036 5.233 -26.415 1.00 71.13 H new ATOM 0 HB3 ASN A 71 2.896 5.186 -27.746 1.00 71.13 H new ATOM 0 HD21 ASN A 71 1.622 4.807 -23.911 1.00 4.42 H new ATOM 0 HD22 ASN A 71 3.290 5.177 -24.362 1.00 4.42 H new ATOM 44 N SER A 72 5.917 2.587 -26.361 1.00 3.04 N ATOM 45 CA SER A 72 6.817 2.030 -25.359 1.00 45.25 C ATOM 46 C SER A 72 8.272 2.164 -25.800 1.00 31.43 C ATOM 47 O SER A 72 8.603 1.932 -26.962 1.00 24.42 O ATOM 48 CB SER A 72 6.484 0.559 -25.105 1.00 33.44 C ATOM 49 OG SER A 72 5.531 0.425 -24.065 1.00 30.22 O ATOM 0 H SER A 72 6.377 2.890 -27.219 1.00 3.04 H new ATOM 0 HA SER A 72 6.682 2.591 -24.434 1.00 45.25 H new ATOM 0 HB2 SER A 72 6.096 0.108 -26.018 1.00 33.44 H new ATOM 0 HB3 SER A 72 7.393 0.017 -24.842 1.00 33.44 H new ATOM 0 HG SER A 72 4.738 0.960 -24.277 1.00 30.22 H new ATOM 55 N ALA A 73 9.135 2.543 -24.863 1.00 32.23 N ATOM 56 CA ALA A 73 10.554 2.705 -25.154 1.00 1.24 C ATOM 57 C ALA A 73 11.342 3.012 -23.885 1.00 73.54 C ATOM 58 O ALA A 73 10.775 3.433 -22.876 1.00 43.12 O ATOM 59 CB ALA A 73 10.759 3.808 -26.183 1.00 50.03 C ATOM 0 H ALA A 73 8.876 2.743 -23.897 1.00 32.23 H new ATOM 0 HA ALA A 73 10.925 1.766 -25.564 1.00 1.24 H new ATOM 0 HB1 ALA A 73 11.823 3.918 -26.391 1.00 50.03 H new ATOM 0 HB2 ALA A 73 10.234 3.550 -27.103 1.00 50.03 H new ATOM 0 HB3 ALA A 73 10.366 4.747 -25.793 1.00 50.03 H new ATOM 65 N SER A 74 12.653 2.796 -23.941 1.00 65.05 N ATOM 66 CA SER A 74 13.518 3.044 -22.794 1.00 24.22 C ATOM 67 C SER A 74 13.674 4.540 -22.544 1.00 51.35 C ATOM 68 O SER A 74 13.408 5.359 -23.424 1.00 13.12 O ATOM 69 CB SER A 74 14.892 2.407 -23.017 1.00 11.40 C ATOM 70 OG SER A 74 15.340 2.616 -24.346 1.00 64.15 O ATOM 0 H SER A 74 13.139 2.450 -24.768 1.00 65.05 H new ATOM 0 HA SER A 74 13.054 2.593 -21.917 1.00 24.22 H new ATOM 0 HB2 SER A 74 15.611 2.831 -22.316 1.00 11.40 H new ATOM 0 HB3 SER A 74 14.839 1.338 -22.811 1.00 11.40 H new ATOM 0 HG SER A 74 16.220 2.202 -24.463 1.00 64.15 H new ATOM 76 N LYS A 75 14.107 4.890 -21.338 1.00 51.20 N ATOM 77 CA LYS A 75 14.300 6.288 -20.970 1.00 61.13 C ATOM 78 C LYS A 75 15.021 6.404 -19.631 1.00 14.21 C ATOM 79 O LYS A 75 14.486 6.021 -18.591 1.00 53.03 O ATOM 80 CB LYS A 75 12.951 7.009 -20.898 1.00 4.54 C ATOM 81 CG LYS A 75 13.067 8.483 -20.553 1.00 70.10 C ATOM 82 CD LYS A 75 11.892 8.954 -19.714 1.00 22.54 C ATOM 83 CE LYS A 75 11.687 10.457 -19.833 1.00 42.01 C ATOM 84 NZ LYS A 75 10.786 10.981 -18.770 1.00 3.24 N1+ ATOM 0 H LYS A 75 14.331 4.225 -20.598 1.00 51.20 H new ATOM 0 HA LYS A 75 14.916 6.757 -21.737 1.00 61.13 H new ATOM 0 HB2 LYS A 75 12.443 6.908 -21.857 1.00 4.54 H new ATOM 0 HB3 LYS A 75 12.325 6.518 -20.152 1.00 4.54 H new ATOM 0 HG2 LYS A 75 13.996 8.658 -20.010 1.00 70.10 H new ATOM 0 HG3 LYS A 75 13.118 9.069 -21.470 1.00 70.10 H new ATOM 0 HD2 LYS A 75 10.987 8.436 -20.031 1.00 22.54 H new ATOM 0 HD3 LYS A 75 12.061 8.691 -18.670 1.00 22.54 H new ATOM 0 HE2 LYS A 75 12.652 10.961 -19.772 1.00 42.01 H new ATOM 0 HE3 LYS A 75 11.267 10.690 -20.812 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 10.672 12.008 -18.887 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 9.857 10.519 -18.844 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 11.198 10.782 -17.836 1.00 3.24 H new ATOM 98 N ASN A 76 16.240 6.935 -19.665 1.00 3.42 N ATOM 99 CA ASN A 76 17.034 7.101 -18.453 1.00 15.21 C ATOM 100 C ASN A 76 17.361 5.748 -17.826 1.00 1.14 C ATOM 101 O ASN A 76 16.954 5.461 -16.701 1.00 24.43 O ATOM 102 CB ASN A 76 16.288 7.977 -17.444 1.00 52.35 C ATOM 103 CG ASN A 76 15.633 9.179 -18.097 1.00 1.44 C ATOM 104 OD1 ASN A 76 14.484 9.510 -17.802 1.00 51.55 O ATOM 105 ND2 ASN A 76 16.363 9.840 -18.987 1.00 51.31 N ATOM 0 H ASN A 76 16.698 7.257 -20.517 1.00 3.42 H new ATOM 0 HA ASN A 76 17.969 7.590 -18.726 1.00 15.21 H new ATOM 0 HB2 ASN A 76 15.527 7.380 -16.941 1.00 52.35 H new ATOM 0 HB3 ASN A 76 16.984 8.317 -16.677 1.00 52.35 H new ATOM 0 HD21 ASN A 76 15.976 10.658 -19.457 1.00 51.31 H new ATOM 0 HD22 ASN A 76 17.311 9.530 -19.200 1.00 51.31 H new ATOM 112 N SER A 77 18.097 4.923 -18.563 1.00 4.44 N ATOM 113 CA SER A 77 18.475 3.600 -18.081 1.00 12.05 C ATOM 114 C SER A 77 19.583 3.698 -17.037 1.00 25.02 C ATOM 115 O SER A 77 20.300 4.695 -16.970 1.00 34.10 O ATOM 116 CB SER A 77 18.934 2.721 -19.247 1.00 2.00 C ATOM 117 OG SER A 77 19.848 1.731 -18.810 1.00 22.15 O ATOM 0 H SER A 77 18.443 5.147 -19.496 1.00 4.44 H new ATOM 0 HA SER A 77 17.600 3.147 -17.615 1.00 12.05 H new ATOM 0 HB2 SER A 77 18.070 2.244 -19.709 1.00 2.00 H new ATOM 0 HB3 SER A 77 19.402 3.341 -20.011 1.00 2.00 H new ATOM 0 HG SER A 77 20.125 1.182 -19.573 1.00 22.15 H new ATOM 123 N ALA A 78 19.714 2.655 -16.223 1.00 22.23 N ATOM 124 CA ALA A 78 20.735 2.622 -15.184 1.00 11.51 C ATOM 125 C ALA A 78 21.563 1.344 -15.267 1.00 34.52 C ATOM 126 O ALA A 78 21.775 0.665 -14.262 1.00 71.44 O ATOM 127 CB ALA A 78 20.094 2.750 -13.810 1.00 23.42 C ATOM 0 H ALA A 78 19.126 1.823 -16.264 1.00 22.23 H new ATOM 0 HA ALA A 78 21.405 3.468 -15.341 1.00 11.51 H new ATOM 0 HB1 ALA A 78 20.868 2.724 -13.043 1.00 23.42 H new ATOM 0 HB2 ALA A 78 19.553 3.694 -13.747 1.00 23.42 H new ATOM 0 HB3 ALA A 78 19.401 1.924 -13.654 1.00 23.42 H new ATOM 133 N ILE A 79 22.026 1.021 -16.470 1.00 74.14 N ATOM 134 CA ILE A 79 22.829 -0.175 -16.682 1.00 71.01 C ATOM 135 C ILE A 79 24.190 0.173 -17.278 1.00 71.13 C ATOM 136 O ILE A 79 24.275 0.707 -18.384 1.00 10.44 O ATOM 137 CB ILE A 79 22.116 -1.175 -17.612 1.00 31.22 C ATOM 138 CG1 ILE A 79 20.760 -1.573 -17.025 1.00 14.41 C ATOM 139 CG2 ILE A 79 22.984 -2.405 -17.834 1.00 3.00 C ATOM 140 CD1 ILE A 79 19.818 -2.182 -18.039 1.00 1.13 C ATOM 0 H ILE A 79 21.858 1.572 -17.312 1.00 74.14 H new ATOM 0 HA ILE A 79 22.970 -0.636 -15.704 1.00 71.01 H new ATOM 0 HB ILE A 79 21.947 -0.695 -18.576 1.00 31.22 H new ATOM 0 HG12 ILE A 79 20.919 -2.285 -16.215 1.00 14.41 H new ATOM 0 HG13 ILE A 79 20.290 -0.692 -16.588 1.00 14.41 H new ATOM 0 HG21 ILE A 79 22.466 -3.102 -18.493 1.00 3.00 H new ATOM 0 HG22 ILE A 79 23.928 -2.107 -18.291 1.00 3.00 H new ATOM 0 HG23 ILE A 79 23.181 -2.889 -16.877 1.00 3.00 H new ATOM 0 HD11 ILE A 79 18.877 -2.440 -17.553 1.00 1.13 H new ATOM 0 HD12 ILE A 79 19.629 -1.464 -18.837 1.00 1.13 H new ATOM 0 HD13 ILE A 79 20.268 -3.082 -18.459 1.00 1.13 H new ATOM 152 N SER A 80 25.250 -0.133 -16.538 1.00 54.20 N ATOM 153 CA SER A 80 26.607 0.151 -16.992 1.00 1.35 C ATOM 154 C SER A 80 26.884 -0.527 -18.330 1.00 11.25 C ATOM 155 O SER A 80 26.923 0.126 -19.374 1.00 61.02 O ATOM 156 CB SER A 80 27.624 -0.316 -15.949 1.00 45.00 C ATOM 157 OG SER A 80 28.944 -0.255 -16.461 1.00 4.14 O ATOM 0 H SER A 80 25.196 -0.578 -15.622 1.00 54.20 H new ATOM 0 HA SER A 80 26.703 1.229 -17.124 1.00 1.35 H new ATOM 0 HB2 SER A 80 27.547 0.306 -15.057 1.00 45.00 H new ATOM 0 HB3 SER A 80 27.395 -1.338 -15.645 1.00 45.00 H new ATOM 0 HG SER A 80 29.575 -0.557 -15.775 1.00 4.14 H new ATOM 163 N SER A 81 27.076 -1.841 -18.292 1.00 72.10 N ATOM 164 CA SER A 81 27.354 -2.608 -19.500 1.00 3.34 C ATOM 165 C SER A 81 26.074 -2.861 -20.291 1.00 74.11 C ATOM 166 O SER A 81 25.607 -3.994 -20.393 1.00 52.22 O ATOM 167 CB SER A 81 28.015 -3.941 -19.143 1.00 32.25 C ATOM 168 OG SER A 81 27.129 -4.773 -18.416 1.00 4.53 O ATOM 0 H SER A 81 27.044 -2.397 -17.437 1.00 72.10 H new ATOM 0 HA SER A 81 28.036 -2.025 -20.120 1.00 3.34 H new ATOM 0 HB2 SER A 81 28.330 -4.449 -20.054 1.00 32.25 H new ATOM 0 HB3 SER A 81 28.913 -3.758 -18.553 1.00 32.25 H new ATOM 0 HG SER A 81 26.302 -4.896 -18.927 1.00 4.53 H new ATOM 174 N SER A 82 25.511 -1.793 -20.848 1.00 64.12 N ATOM 175 CA SER A 82 24.282 -1.896 -21.627 1.00 73.52 C ATOM 176 C SER A 82 24.557 -1.661 -23.110 1.00 10.43 C ATOM 177 O SER A 82 25.711 -1.614 -23.538 1.00 22.43 O ATOM 178 CB SER A 82 23.248 -0.887 -21.122 1.00 44.04 C ATOM 179 OG SER A 82 21.930 -1.320 -21.413 1.00 54.11 O ATOM 0 H SER A 82 25.886 -0.847 -20.774 1.00 64.12 H new ATOM 0 HA SER A 82 23.886 -2.904 -21.504 1.00 73.52 H new ATOM 0 HB2 SER A 82 23.361 -0.753 -20.046 1.00 44.04 H new ATOM 0 HB3 SER A 82 23.426 0.084 -21.585 1.00 44.04 H new ATOM 0 HG SER A 82 21.288 -0.660 -21.079 1.00 54.11 H new ATOM 185 N ILE A 83 23.489 -1.515 -23.886 1.00 3.54 N ATOM 186 CA ILE A 83 23.615 -1.284 -25.320 1.00 1.04 C ATOM 187 C ILE A 83 24.570 -0.131 -25.610 1.00 52.44 C ATOM 188 O ILE A 83 25.283 -0.138 -26.613 1.00 74.14 O ATOM 189 CB ILE A 83 22.249 -0.977 -25.962 1.00 20.12 C ATOM 190 CG1 ILE A 83 21.234 -2.064 -25.600 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.389 -0.858 -27.473 1.00 13.24 C ATOM 192 CD1 ILE A 83 20.261 -1.646 -24.521 1.00 71.04 C ATOM 0 H ILE A 83 22.528 -1.552 -23.547 1.00 3.54 H new ATOM 0 HA ILE A 83 24.014 -2.201 -25.753 1.00 1.04 H new ATOM 0 HB ILE A 83 21.887 -0.025 -25.573 1.00 20.12 H new ATOM 0 HG12 ILE A 83 20.676 -2.341 -26.494 1.00 73.13 H new ATOM 0 HG13 ILE A 83 21.769 -2.954 -25.270 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.415 -0.641 -27.913 1.00 13.24 H new ATOM 0 HG22 ILE A 83 23.083 -0.052 -27.712 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.769 -1.796 -27.878 1.00 13.24 H new ATOM 0 HD11 ILE A 83 19.572 -2.465 -24.316 1.00 71.04 H new ATOM 0 HD12 ILE A 83 20.810 -1.397 -23.613 1.00 71.04 H new ATOM 0 HD13 ILE A 83 19.699 -0.774 -24.856 1.00 71.04 H new ATOM 204 N PHE A 84 24.580 0.859 -24.724 1.00 22.43 N ATOM 205 CA PHE A 84 25.448 2.020 -24.883 1.00 52.22 C ATOM 206 C PHE A 84 26.889 1.588 -25.143 1.00 1.23 C ATOM 207 O PHE A 84 27.614 2.233 -25.902 1.00 0.11 O ATOM 208 CB PHE A 84 25.386 2.905 -23.637 1.00 51.20 C ATOM 209 CG PHE A 84 23.999 3.378 -23.306 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.389 3.001 -22.121 1.00 24.13 C ATOM 211 CD2 PHE A 84 23.306 4.198 -24.182 1.00 23.11 C ATOM 212 CE1 PHE A 84 22.113 3.435 -21.813 1.00 43.41 C ATOM 213 CE2 PHE A 84 22.029 4.635 -23.880 1.00 3.54 C ATOM 214 CZ PHE A 84 21.432 4.251 -22.695 1.00 63.45 C ATOM 0 H PHE A 84 23.996 0.881 -23.888 1.00 22.43 H new ATOM 0 HA PHE A 84 25.096 2.591 -25.742 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.785 2.351 -22.787 1.00 51.20 H new ATOM 0 HB3 PHE A 84 26.031 3.771 -23.784 1.00 51.20 H new ATOM 0 HD1 PHE A 84 23.916 2.361 -21.430 1.00 24.13 H new ATOM 0 HD2 PHE A 84 23.768 4.499 -25.111 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.650 3.136 -20.884 1.00 43.41 H new ATOM 0 HE2 PHE A 84 21.499 5.276 -24.570 1.00 3.54 H new ATOM 0 HZ PHE A 84 20.434 4.589 -22.458 1.00 63.45 H new ATOM 224 N CYS A 85 27.297 0.496 -24.508 1.00 41.44 N ATOM 225 CA CYS A 85 28.652 -0.022 -24.668 1.00 10.24 C ATOM 226 C CYS A 85 28.957 -0.300 -26.136 1.00 23.33 C ATOM 227 O CYS A 85 30.034 0.033 -26.629 1.00 44.32 O ATOM 228 CB CYS A 85 28.832 -1.298 -23.846 1.00 12.32 C ATOM 229 SG CYS A 85 30.559 -1.724 -23.515 1.00 24.32 S ATOM 0 H CYS A 85 26.709 -0.049 -23.877 1.00 41.44 H new ATOM 0 HA CYS A 85 29.349 0.734 -24.308 1.00 10.24 H new ATOM 0 HB2 CYS A 85 28.309 -1.183 -22.897 1.00 12.32 H new ATOM 0 HB3 CYS A 85 28.359 -2.127 -24.373 1.00 12.32 H new ATOM 0 HG CYS A 85 30.609 -2.817 -22.812 1.00 24.32 H new ATOM 235 N GLU A 86 28.002 -0.913 -26.829 1.00 41.31 N ATOM 236 CA GLU A 86 28.171 -1.238 -28.239 1.00 23.33 C ATOM 237 C GLU A 86 27.798 -0.050 -29.120 1.00 54.43 C ATOM 238 O GLU A 86 28.284 0.084 -30.243 1.00 14.41 O ATOM 239 CB GLU A 86 27.316 -2.452 -28.612 1.00 70.34 C ATOM 240 CG GLU A 86 27.894 -3.279 -29.748 1.00 12.31 C ATOM 241 CD GLU A 86 27.216 -4.627 -29.892 1.00 71.01 C ATOM 242 OE1 GLU A 86 27.888 -5.584 -30.329 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.015 -4.725 -29.568 1.00 72.23 O1- ATOM 0 H GLU A 86 27.104 -1.194 -26.436 1.00 41.31 H new ATOM 0 HA GLU A 86 29.221 -1.477 -28.407 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.200 -3.087 -27.734 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.319 -2.111 -28.893 1.00 70.34 H new ATOM 0 HG2 GLU A 86 27.796 -2.726 -30.682 1.00 12.31 H new ATOM 0 HG3 GLU A 86 28.960 -3.429 -29.577 1.00 12.31 H new ATOM 250 N LYS A 87 26.929 0.813 -28.603 1.00 3.45 N ATOM 251 CA LYS A 87 26.489 1.992 -29.340 1.00 44.40 C ATOM 252 C LYS A 87 27.683 2.777 -29.873 1.00 54.55 C ATOM 253 O LYS A 87 27.587 3.450 -30.900 1.00 13.23 O ATOM 254 CB LYS A 87 25.634 2.890 -28.443 1.00 41.11 C ATOM 255 CG LYS A 87 24.216 2.380 -28.246 1.00 30.21 C ATOM 256 CD LYS A 87 23.354 2.643 -29.470 1.00 62.43 C ATOM 257 CE LYS A 87 21.929 3.001 -29.081 1.00 44.42 C ATOM 258 NZ LYS A 87 21.087 3.301 -30.272 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.515 0.718 -27.676 1.00 3.45 H new ATOM 0 HA LYS A 87 25.889 1.658 -30.186 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.116 2.982 -27.470 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.595 3.890 -28.876 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.239 1.310 -28.039 1.00 30.21 H new ATOM 0 HG3 LYS A 87 23.772 2.864 -27.376 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.788 3.455 -30.054 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.347 1.759 -30.108 1.00 62.43 H new ATOM 0 HE2 LYS A 87 21.487 2.176 -28.522 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.940 3.865 -28.417 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.123 3.540 -29.964 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.494 4.105 -30.791 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.055 2.468 -30.893 1.00 70.52 H new ATOM 272 N TYR A 88 28.806 2.686 -29.170 1.00 73.21 N ATOM 273 CA TYR A 88 30.019 3.388 -29.572 1.00 74.10 C ATOM 274 C TYR A 88 30.318 3.156 -31.050 1.00 50.10 C ATOM 275 O TYR A 88 30.865 4.026 -31.729 1.00 0.51 O ATOM 276 CB TYR A 88 31.205 2.930 -28.722 1.00 0.31 C ATOM 277 CG TYR A 88 31.885 1.688 -29.252 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.232 0.462 -29.254 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.181 1.740 -29.749 1.00 2.51 C ATOM 280 CE1 TYR A 88 31.850 -0.676 -29.736 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.807 0.608 -30.234 1.00 45.43 C ATOM 282 CZ TYR A 88 33.137 -0.597 -30.225 1.00 51.51 C ATOM 283 OH TYR A 88 33.756 -1.728 -30.706 1.00 33.11 O ATOM 0 H TYR A 88 28.902 2.133 -28.318 1.00 73.21 H new ATOM 0 HA TYR A 88 29.859 4.455 -29.415 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.935 3.738 -28.666 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.861 2.740 -27.705 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.224 0.397 -28.872 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.709 2.682 -29.756 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.328 -1.622 -29.730 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.815 0.667 -30.618 1.00 45.43 H new ATOM 0 HH TYR A 88 34.658 -1.501 -31.014 1.00 33.11 H new ATOM 293 N LYS A 89 29.955 1.977 -31.543 1.00 34.53 N ATOM 294 CA LYS A 89 30.181 1.628 -32.940 1.00 32.43 C ATOM 295 C LYS A 89 29.299 2.466 -33.860 1.00 22.43 C ATOM 296 O LYS A 89 29.799 3.220 -34.695 1.00 3.10 O ATOM 297 CB LYS A 89 29.904 0.140 -33.167 1.00 53.34 C ATOM 298 CG LYS A 89 30.533 -0.409 -34.435 1.00 63.43 C ATOM 299 CD LYS A 89 29.590 -0.292 -35.621 1.00 14.45 C ATOM 300 CE LYS A 89 28.453 -1.298 -35.530 1.00 72.22 C ATOM 301 NZ LYS A 89 28.815 -2.602 -36.152 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.502 1.246 -30.994 1.00 34.53 H new ATOM 0 HA LYS A 89 31.224 1.837 -33.176 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.277 -0.425 -32.313 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.826 -0.018 -33.208 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.456 0.131 -34.648 1.00 63.43 H new ATOM 0 HG3 LYS A 89 30.803 -1.454 -34.285 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.181 0.718 -35.664 1.00 14.45 H new ATOM 0 HD3 LYS A 89 30.145 -0.451 -36.546 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.190 -1.455 -34.484 1.00 72.22 H new ATOM 0 HE3 LYS A 89 27.569 -0.893 -36.023 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 28.014 -3.260 -36.069 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 29.041 -2.456 -37.157 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 29.643 -3.001 -35.665 1.00 43.33 H new ATOM 315 N GLN A 90 27.987 2.329 -33.699 1.00 2.13 N ATOM 316 CA GLN A 90 27.036 3.076 -34.516 1.00 14.13 C ATOM 317 C GLN A 90 27.275 4.577 -34.395 1.00 2.13 C ATOM 318 O GLN A 90 27.145 5.318 -35.370 1.00 41.43 O ATOM 319 CB GLN A 90 25.603 2.741 -34.101 1.00 44.13 C ATOM 320 CG GLN A 90 24.573 3.034 -35.180 1.00 72.41 C ATOM 321 CD GLN A 90 24.405 1.885 -36.154 1.00 65.22 C ATOM 322 OE1 GLN A 90 25.322 1.556 -36.907 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.229 1.268 -36.146 1.00 61.02 N ATOM 0 H GLN A 90 27.558 1.709 -33.012 1.00 2.13 H new ATOM 0 HA GLN A 90 27.183 2.786 -35.556 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.548 1.685 -33.835 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.351 3.309 -33.206 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.613 3.251 -34.711 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.870 3.929 -35.727 1.00 72.41 H new ATOM 0 HE21 GLN A 90 22.497 1.574 -35.505 1.00 61.02 H new ATOM 0 HE22 GLN A 90 23.058 0.488 -36.781 1.00 61.02 H new ATOM 332 N THR A 91 27.626 5.020 -33.192 1.00 22.11 N ATOM 333 CA THR A 91 27.883 6.433 -32.942 1.00 23.40 C ATOM 334 C THR A 91 29.073 6.928 -33.756 1.00 53.31 C ATOM 335 O THR A 91 28.959 7.880 -34.528 1.00 13.14 O ATOM 336 CB THR A 91 28.148 6.702 -31.449 1.00 43.34 C ATOM 337 OG1 THR A 91 29.312 5.985 -31.022 1.00 21.23 O ATOM 338 CG2 THR A 91 26.953 6.288 -30.604 1.00 21.32 C ATOM 0 H THR A 91 27.739 4.420 -32.375 1.00 22.11 H new ATOM 0 HA THR A 91 26.988 6.975 -33.246 1.00 23.40 H new ATOM 0 HB THR A 91 28.312 7.772 -31.318 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.606 6.327 -30.152 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.164 6.487 -29.553 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.075 6.856 -30.912 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.763 5.223 -30.740 1.00 21.32 H new ATOM 346 N LYS A 92 30.217 6.276 -33.577 1.00 31.12 N ATOM 347 CA LYS A 92 31.431 6.648 -34.295 1.00 63.03 C ATOM 348 C LYS A 92 31.187 6.667 -35.801 1.00 75.23 C ATOM 349 O LYS A 92 31.609 7.591 -36.495 1.00 51.33 O ATOM 350 CB LYS A 92 32.563 5.674 -33.963 1.00 4.45 C ATOM 351 CG LYS A 92 33.930 6.332 -33.895 1.00 1.42 C ATOM 352 CD LYS A 92 34.886 5.542 -33.016 1.00 63.25 C ATOM 353 CE LYS A 92 34.954 6.118 -31.610 1.00 65.32 C ATOM 354 NZ LYS A 92 34.230 5.267 -30.626 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.329 5.487 -32.941 1.00 31.12 H new ATOM 0 HA LYS A 92 31.719 7.651 -33.978 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.351 5.196 -33.007 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.585 4.886 -34.715 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.344 6.417 -34.900 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.828 7.345 -33.505 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.564 4.502 -32.969 1.00 63.25 H new ATOM 0 HD3 LYS A 92 35.881 5.548 -33.461 1.00 63.25 H new ATOM 0 HE2 LYS A 92 35.997 6.216 -31.308 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.526 7.120 -31.607 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 34.300 5.694 -29.680 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 33.229 5.194 -30.900 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 34.654 4.318 -30.610 1.00 44.20 H new ATOM 368 N GLU A 93 30.504 5.640 -36.298 1.00 42.21 N ATOM 369 CA GLU A 93 30.204 5.541 -37.722 1.00 71.42 C ATOM 370 C GLU A 93 29.356 6.723 -38.183 1.00 60.11 C ATOM 371 O GLU A 93 29.617 7.314 -39.231 1.00 73.42 O ATOM 372 CB GLU A 93 29.476 4.229 -38.022 1.00 74.41 C ATOM 373 CG GLU A 93 29.023 4.102 -39.467 1.00 73.24 C ATOM 374 CD GLU A 93 28.950 2.659 -39.930 1.00 1.03 C ATOM 375 OE1 GLU A 93 28.978 1.756 -39.068 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.865 2.434 -41.156 1.00 60.10 O1- ATOM 0 H GLU A 93 30.149 4.866 -35.737 1.00 42.21 H new ATOM 0 HA GLU A 93 31.147 5.558 -38.268 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.135 3.394 -37.782 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.607 4.148 -37.369 1.00 74.41 H new ATOM 0 HG2 GLU A 93 28.043 4.566 -39.579 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.711 4.652 -40.109 1.00 73.24 H new ATOM 383 N GLN A 94 28.342 7.060 -37.394 1.00 40.54 N ATOM 384 CA GLN A 94 27.455 8.170 -37.723 1.00 30.21 C ATOM 385 C GLN A 94 28.221 9.488 -37.753 1.00 52.42 C ATOM 386 O GLN A 94 27.921 10.373 -38.553 1.00 15.43 O ATOM 387 CB GLN A 94 26.312 8.254 -36.709 1.00 23.31 C ATOM 388 CG GLN A 94 25.066 7.493 -37.134 1.00 1.33 C ATOM 389 CD GLN A 94 23.981 7.512 -36.074 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.040 8.303 -36.148 1.00 50.12 O ATOM 391 NE2 GLN A 94 24.108 6.640 -35.080 1.00 14.24 N ATOM 0 H GLN A 94 28.114 6.581 -36.523 1.00 40.54 H new ATOM 0 HA GLN A 94 27.040 7.989 -38.715 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.657 7.864 -35.751 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.053 9.301 -36.552 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.677 7.927 -38.055 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.334 6.460 -37.356 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.904 6.003 -35.059 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.409 6.607 -34.338 1.00 14.24 H new ATOM 400 N ALA A 95 29.212 9.611 -36.875 1.00 25.00 N ATOM 401 CA ALA A 95 30.022 10.821 -36.803 1.00 45.15 C ATOM 402 C ALA A 95 30.884 10.980 -38.051 1.00 70.10 C ATOM 403 O ALA A 95 30.776 11.973 -38.771 1.00 11.14 O ATOM 404 CB ALA A 95 30.895 10.797 -35.556 1.00 72.43 C ATOM 0 H ALA A 95 29.473 8.888 -36.204 1.00 25.00 H new ATOM 0 HA ALA A 95 29.349 11.677 -36.747 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.495 11.706 -35.514 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.263 10.739 -34.670 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.554 9.929 -35.590 1.00 72.43 H new ATOM 410 N LEU A 96 31.741 9.995 -38.301 1.00 21.34 N ATOM 411 CA LEU A 96 32.623 10.026 -39.463 1.00 71.41 C ATOM 412 C LEU A 96 31.822 10.185 -40.751 1.00 65.14 C ATOM 413 O LEU A 96 32.240 10.884 -41.675 1.00 60.24 O ATOM 414 CB LEU A 96 33.463 8.749 -39.524 1.00 41.41 C ATOM 415 CG LEU A 96 32.695 7.434 -39.384 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.243 6.931 -40.746 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.553 6.389 -38.685 1.00 62.41 C ATOM 0 H LEU A 96 31.844 9.166 -37.715 1.00 21.34 H new ATOM 0 HA LEU A 96 33.286 10.885 -39.362 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.998 8.735 -40.473 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.214 8.794 -38.735 1.00 41.41 H new ATOM 0 HG LEU A 96 31.809 7.615 -38.775 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.698 5.995 -40.626 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.592 7.672 -41.210 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.114 6.765 -41.380 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.991 5.459 -38.593 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.457 6.211 -39.268 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.826 6.747 -37.692 1.00 62.41 H new ATOM 429 N THR A 97 30.665 9.531 -40.806 1.00 53.12 N ATOM 430 CA THR A 97 29.804 9.600 -41.980 1.00 4.23 C ATOM 431 C THR A 97 29.295 11.018 -42.207 1.00 42.31 C ATOM 432 O THR A 97 29.333 11.532 -43.326 1.00 43.35 O ATOM 433 CB THR A 97 28.599 8.649 -41.850 1.00 75.23 C ATOM 434 OG1 THR A 97 27.999 8.794 -40.557 1.00 52.14 O ATOM 435 CG2 THR A 97 29.025 7.204 -42.058 1.00 3.45 C ATOM 0 H THR A 97 30.303 8.948 -40.051 1.00 53.12 H new ATOM 0 HA THR A 97 30.409 9.294 -42.833 1.00 4.23 H new ATOM 0 HB THR A 97 27.872 8.911 -42.619 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.478 8.236 -39.910 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.157 6.551 -41.961 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.455 7.091 -43.053 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.768 6.932 -41.309 1.00 3.45 H new ATOM 443 N PHE A 98 28.821 11.649 -41.138 1.00 64.32 N ATOM 444 CA PHE A 98 28.304 13.011 -41.221 1.00 20.12 C ATOM 445 C PHE A 98 29.438 14.012 -41.423 1.00 70.44 C ATOM 446 O PHE A 98 29.233 15.096 -41.971 1.00 24.53 O ATOM 447 CB PHE A 98 27.520 13.359 -39.954 1.00 4.32 C ATOM 448 CG PHE A 98 28.097 14.519 -39.192 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.789 15.822 -39.551 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.946 14.306 -38.119 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.319 16.890 -38.852 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.478 15.370 -37.417 1.00 2.32 C ATOM 453 CZ PHE A 98 29.164 16.665 -37.784 1.00 14.52 C ATOM 0 H PHE A 98 28.784 11.240 -40.204 1.00 64.32 H new ATOM 0 HA PHE A 98 27.636 13.068 -42.080 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.490 13.589 -40.225 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.491 12.485 -39.303 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.128 16.004 -40.385 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.195 13.296 -37.828 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.072 17.901 -39.141 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.139 15.190 -36.582 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.579 17.499 -37.237 1.00 14.52 H new ATOM 463 N PHE A 99 30.632 13.641 -40.977 1.00 61.53 N ATOM 464 CA PHE A 99 31.800 14.505 -41.108 1.00 61.41 C ATOM 465 C PHE A 99 32.407 14.394 -42.503 1.00 60.30 C ATOM 466 O PHE A 99 32.909 15.375 -43.052 1.00 64.11 O ATOM 467 CB PHE A 99 32.848 14.145 -40.053 1.00 43.00 C ATOM 468 CG PHE A 99 34.076 15.008 -40.108 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.158 14.648 -40.895 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.148 16.181 -39.374 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.289 15.440 -40.948 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.276 16.978 -39.423 1.00 44.24 C ATOM 473 CZ PHE A 99 36.349 16.606 -40.210 1.00 54.34 C ATOM 0 H PHE A 99 30.818 12.748 -40.521 1.00 61.53 H new ATOM 0 HA PHE A 99 31.477 15.535 -40.953 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.399 14.229 -39.063 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.140 13.103 -40.183 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.117 13.737 -41.474 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.313 16.476 -38.756 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.125 15.148 -41.566 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.319 17.890 -38.847 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.233 17.226 -40.248 1.00 54.34 H new ATOM 483 N GLN A 100 32.355 13.193 -43.070 1.00 31.14 N ATOM 484 CA GLN A 100 32.901 12.954 -44.400 1.00 2.22 C ATOM 485 C GLN A 100 31.886 13.317 -45.478 1.00 64.05 C ATOM 486 O GLN A 100 32.250 13.811 -46.546 1.00 14.00 O ATOM 487 CB GLN A 100 33.317 11.489 -44.549 1.00 53.03 C ATOM 488 CG GLN A 100 32.142 10.526 -44.606 1.00 64.35 C ATOM 489 CD GLN A 100 32.563 9.081 -44.425 1.00 33.11 C ATOM 490 OE1 GLN A 100 32.216 8.216 -45.229 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.315 8.812 -43.364 1.00 14.41 N ATOM 0 H GLN A 100 31.941 12.372 -42.629 1.00 31.14 H new ATOM 0 HA GLN A 100 33.779 13.588 -44.523 1.00 2.22 H new ATOM 0 HB2 GLN A 100 33.911 11.379 -45.457 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.960 11.216 -43.712 1.00 53.03 H new ATOM 0 HG2 GLN A 100 31.422 10.791 -43.831 1.00 64.35 H new ATOM 0 HG3 GLN A 100 31.634 10.635 -45.564 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.579 9.560 -42.723 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.628 7.857 -43.190 1.00 14.41 H new ATOM 500 N GLU A 101 30.612 13.069 -45.193 1.00 35.51 N ATOM 501 CA GLU A 101 29.545 13.371 -46.139 1.00 4.42 C ATOM 502 C GLU A 101 29.281 14.872 -46.203 1.00 73.11 C ATOM 503 O GLU A 101 29.051 15.429 -47.278 1.00 13.41 O ATOM 504 CB GLU A 101 28.262 12.633 -45.748 1.00 74.32 C ATOM 505 CG GLU A 101 27.123 12.826 -46.735 1.00 62.12 C ATOM 506 CD GLU A 101 27.198 11.866 -47.907 1.00 61.35 C ATOM 507 OE1 GLU A 101 28.319 11.450 -48.263 1.00 22.34 O ATOM 508 OE2 GLU A 101 26.132 11.532 -48.467 1.00 61.22 O1- ATOM 0 H GLU A 101 30.294 12.660 -44.315 1.00 35.51 H new ATOM 0 HA GLU A 101 29.864 13.034 -47.125 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.478 11.568 -45.659 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.941 12.976 -44.764 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.173 12.690 -46.219 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.139 13.850 -47.107 1.00 62.12 H new ATOM 515 N HIS A 102 29.315 15.523 -45.045 1.00 15.43 N ATOM 516 CA HIS A 102 29.080 16.960 -44.967 1.00 21.40 C ATOM 517 C HIS A 102 30.162 17.644 -44.138 1.00 72.54 C ATOM 518 O HIS A 102 29.908 18.177 -43.058 1.00 40.35 O ATOM 519 CB HIS A 102 27.704 17.241 -44.362 1.00 2.24 C ATOM 520 CG HIS A 102 26.568 16.936 -45.289 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.084 17.841 -46.211 1.00 73.30 N ATOM 522 CD2 HIS A 102 25.821 15.817 -45.435 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.087 17.292 -46.882 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.907 16.064 -46.431 1.00 62.12 N ATOM 0 H HIS A 102 29.503 15.078 -44.147 1.00 15.43 H new ATOM 0 HA HIS A 102 29.113 17.364 -45.979 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.589 16.651 -43.453 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.652 18.290 -44.070 1.00 2.24 H new ATOM 0 HD2 HIS A 102 25.924 14.900 -44.873 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.516 17.767 -47.666 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.204 15.406 -46.767 1.00 62.12 H new ATOM 533 N PRO A 103 31.401 17.629 -44.654 1.00 40.25 N ATOM 534 CA PRO A 103 32.547 18.244 -43.978 1.00 34.11 C ATOM 535 C PRO A 103 32.464 19.767 -43.964 1.00 22.13 C ATOM 536 O PRO A 103 33.156 20.441 -44.727 1.00 74.22 O ATOM 537 CB PRO A 103 33.742 17.781 -44.813 1.00 54.42 C ATOM 538 CG PRO A 103 33.177 17.510 -46.165 1.00 30.51 C ATOM 539 CD PRO A 103 31.777 17.013 -45.936 1.00 20.03 C ATOM 0 HA PRO A 103 32.605 17.954 -42.929 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.517 18.547 -44.854 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.199 16.887 -44.388 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.176 18.413 -46.776 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.773 16.767 -46.695 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.106 17.317 -46.740 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.740 15.925 -45.885 1.00 20.03 H new ATOM 547 N GLN A 104 31.615 20.301 -43.093 1.00 53.52 N ATOM 548 CA GLN A 104 31.444 21.745 -42.981 1.00 32.12 C ATOM 549 C GLN A 104 32.696 22.400 -42.409 1.00 3.31 C ATOM 550 O GLN A 104 33.046 23.522 -42.778 1.00 4.35 O ATOM 551 CB GLN A 104 30.236 22.070 -42.100 1.00 52.22 C ATOM 552 CG GLN A 104 30.333 21.489 -40.698 1.00 72.42 C ATOM 553 CD GLN A 104 28.984 21.391 -40.013 1.00 53.42 C ATOM 554 OE1 GLN A 104 28.434 22.392 -39.554 1.00 50.22 O ATOM 555 NE2 GLN A 104 28.443 20.181 -39.941 1.00 43.34 N ATOM 0 H GLN A 104 31.035 19.756 -42.455 1.00 53.52 H new ATOM 0 HA GLN A 104 31.273 22.143 -43.981 1.00 32.12 H new ATOM 0 HB2 GLN A 104 30.129 23.152 -42.029 1.00 52.22 H new ATOM 0 HB3 GLN A 104 29.334 21.691 -42.580 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.783 20.498 -40.750 1.00 72.42 H new ATOM 0 HG3 GLN A 104 30.997 22.109 -40.097 1.00 72.42 H new ATOM 0 HE21 GLN A 104 28.934 19.379 -40.335 1.00 43.34 H new ATOM 0 HE22 GLN A 104 27.536 20.054 -39.492 1.00 43.34 H new ATOM 564 N TYR A 105 33.368 21.693 -41.507 1.00 14.32 N ATOM 565 CA TYR A 105 34.581 22.207 -40.882 1.00 65.43 C ATOM 566 C TYR A 105 35.605 22.619 -41.936 1.00 72.42 C ATOM 567 O TYR A 105 36.342 23.587 -41.755 1.00 15.51 O ATOM 568 CB TYR A 105 35.186 21.154 -39.952 1.00 13.44 C ATOM 569 CG TYR A 105 36.550 21.529 -39.418 1.00 21.04 C ATOM 570 CD1 TYR A 105 37.641 20.688 -39.595 1.00 65.10 C ATOM 571 CD2 TYR A 105 36.747 22.724 -38.737 1.00 30.42 C ATOM 572 CE1 TYR A 105 38.890 21.025 -39.109 1.00 40.14 C ATOM 573 CE2 TYR A 105 37.992 23.071 -38.250 1.00 62.22 C ATOM 574 CZ TYR A 105 39.060 22.219 -38.437 1.00 63.32 C ATOM 575 OH TYR A 105 40.302 22.560 -37.951 1.00 2.35 O ATOM 0 H TYR A 105 33.093 20.762 -41.192 1.00 14.32 H new ATOM 0 HA TYR A 105 34.313 23.088 -40.298 1.00 65.43 H new ATOM 0 HB2 TYR A 105 34.509 20.990 -39.113 1.00 13.44 H new ATOM 0 HB3 TYR A 105 35.263 20.208 -40.489 1.00 13.44 H new ATOM 0 HD1 TYR A 105 37.511 19.754 -40.122 1.00 65.10 H new ATOM 0 HD2 TYR A 105 35.913 23.393 -38.586 1.00 30.42 H new ATOM 0 HE1 TYR A 105 39.728 20.359 -39.254 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.128 24.005 -37.725 1.00 62.22 H new ATOM 0 HH TYR A 105 40.251 23.431 -37.505 1.00 2.35 H new ATOM 585 N MET A 106 35.642 21.876 -43.037 1.00 2.13 N ATOM 586 CA MET A 106 36.573 22.165 -44.122 1.00 12.33 C ATOM 587 C MET A 106 36.123 23.388 -44.914 1.00 34.43 C ATOM 588 O MET A 106 36.932 24.051 -45.563 1.00 14.31 O ATOM 589 CB MET A 106 36.695 20.957 -45.053 1.00 2.20 C ATOM 590 CG MET A 106 37.474 21.246 -46.325 1.00 33.23 C ATOM 591 SD MET A 106 37.561 19.821 -47.427 1.00 45.54 S ATOM 592 CE MET A 106 39.236 19.970 -48.043 1.00 62.30 C ATOM 0 H MET A 106 35.039 21.070 -43.202 1.00 2.13 H new ATOM 0 HA MET A 106 37.548 22.377 -43.683 1.00 12.33 H new ATOM 0 HB2 MET A 106 37.181 20.143 -44.516 1.00 2.20 H new ATOM 0 HB3 MET A 106 35.696 20.612 -45.319 1.00 2.20 H new ATOM 0 HG2 MET A 106 37.007 22.079 -46.851 1.00 33.23 H new ATOM 0 HG3 MET A 106 38.484 21.560 -46.064 1.00 33.23 H new ATOM 0 HE1 MET A 106 39.441 19.157 -48.739 1.00 62.30 H new ATOM 0 HE2 MET A 106 39.351 20.925 -48.556 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.936 19.919 -47.209 1.00 62.30 H new ATOM 602 N ARG A 107 34.828 23.683 -44.855 1.00 64.32 N ATOM 603 CA ARG A 107 34.272 24.825 -45.568 1.00 35.05 C ATOM 604 C ARG A 107 34.400 26.099 -44.737 1.00 22.20 C ATOM 605 O ARG A 107 34.823 27.141 -45.240 1.00 15.10 O ATOM 606 CB ARG A 107 32.803 24.574 -45.911 1.00 40.51 C ATOM 607 CG ARG A 107 32.111 25.770 -46.544 1.00 44.25 C ATOM 608 CD ARG A 107 31.445 26.647 -45.494 1.00 14.22 C ATOM 609 NE ARG A 107 30.201 27.235 -45.983 1.00 62.33 N ATOM 610 CZ ARG A 107 29.043 26.585 -46.014 1.00 43.41 C ATOM 611 NH1 ARG A 107 28.970 25.332 -45.586 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 27.953 27.188 -46.473 1.00 71.14 N ATOM 0 H ARG A 107 34.145 23.146 -44.320 1.00 64.32 H new ATOM 0 HA ARG A 107 34.837 24.954 -46.491 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.738 23.725 -46.592 1.00 40.51 H new ATOM 0 HB3 ARG A 107 32.269 24.295 -45.002 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.838 26.359 -47.104 1.00 44.25 H new ATOM 0 HG3 ARG A 107 31.364 25.424 -47.258 1.00 44.25 H new ATOM 0 HD2 ARG A 107 31.240 26.054 -44.603 1.00 14.22 H new ATOM 0 HD3 ARG A 107 32.130 27.441 -45.198 1.00 14.22 H new ATOM 0 HE ARG A 107 30.222 28.198 -46.319 1.00 62.33 H new ATOM 0 HH11 ARG A 107 29.805 24.865 -45.232 1.00 11.24 H new ATOM 0 HH12 ARG A 107 28.079 24.836 -45.611 1.00 11.24 H new ATOM 0 HH21 ARG A 107 28.004 28.152 -46.803 1.00 71.14 H new ATOM 0 HH22 ARG A 107 27.065 26.687 -46.496 1.00 71.14 H new ATOM 626 N SER A 108 34.032 26.009 -43.464 1.00 32.45 N ATOM 627 CA SER A 108 34.101 27.154 -42.563 1.00 62.54 C ATOM 628 C SER A 108 34.597 26.732 -41.184 1.00 72.04 C ATOM 629 O SER A 108 34.291 25.639 -40.708 1.00 3.11 O ATOM 630 CB SER A 108 32.728 27.819 -42.444 1.00 72.53 C ATOM 631 OG SER A 108 32.509 28.303 -41.130 1.00 0.01 O ATOM 0 H SER A 108 33.682 25.154 -43.032 1.00 32.45 H new ATOM 0 HA SER A 108 34.809 27.871 -42.979 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.656 28.642 -43.155 1.00 72.53 H new ATOM 0 HB3 SER A 108 31.949 27.103 -42.706 1.00 72.53 H new ATOM 0 HG SER A 108 31.646 28.767 -41.092 1.00 0.01 H new ATOM 637 N LYS A 109 35.366 27.608 -40.546 1.00 71.21 N ATOM 638 CA LYS A 109 35.904 27.330 -39.219 1.00 31.02 C ATOM 639 C LYS A 109 34.887 27.670 -38.136 1.00 3.25 C ATOM 640 O LYS A 109 34.763 26.955 -37.142 1.00 50.22 O ATOM 641 CB LYS A 109 37.191 28.126 -38.992 1.00 21.34 C ATOM 642 CG LYS A 109 36.996 29.631 -39.059 1.00 52.33 C ATOM 643 CD LYS A 109 38.212 30.327 -39.645 1.00 1.02 C ATOM 644 CE LYS A 109 38.300 31.776 -39.190 1.00 51.12 C ATOM 645 NZ LYS A 109 37.309 32.637 -39.892 1.00 73.22 N1+ ATOM 0 H LYS A 109 35.631 28.517 -40.926 1.00 71.21 H new ATOM 0 HA LYS A 109 36.127 26.265 -39.161 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.603 27.865 -38.017 1.00 21.34 H new ATOM 0 HB3 LYS A 109 37.928 27.830 -39.739 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.119 29.858 -39.665 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.801 30.018 -38.059 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.116 29.796 -39.346 1.00 1.02 H new ATOM 0 HD3 LYS A 109 38.165 30.289 -40.733 1.00 1.02 H new ATOM 0 HE2 LYS A 109 38.131 31.830 -38.115 1.00 51.12 H new ATOM 0 HE3 LYS A 109 39.305 32.154 -39.374 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 37.400 33.617 -39.555 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 37.486 32.605 -40.916 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 36.348 32.291 -39.696 1.00 73.22 H new ATOM 659 N GLU A 110 34.159 28.764 -38.336 1.00 44.12 N ATOM 660 CA GLU A 110 33.151 29.197 -37.376 1.00 65.03 C ATOM 661 C GLU A 110 31.982 28.216 -37.333 1.00 4.22 C ATOM 662 O GLU A 110 31.421 27.946 -36.271 1.00 42.42 O ATOM 663 CB GLU A 110 32.643 30.596 -37.730 1.00 51.22 C ATOM 664 CG GLU A 110 32.049 30.693 -39.124 1.00 52.11 C ATOM 665 CD GLU A 110 31.823 32.127 -39.564 1.00 73.11 C ATOM 666 OE1 GLU A 110 32.810 32.799 -39.928 1.00 50.24 O ATOM 667 OE2 GLU A 110 30.658 32.575 -39.544 1.00 64.00 O1- ATOM 0 H GLU A 110 34.249 29.366 -39.154 1.00 44.12 H new ATOM 0 HA GLU A 110 33.616 29.226 -36.390 1.00 65.03 H new ATOM 0 HB2 GLU A 110 31.889 30.895 -37.001 1.00 51.22 H new ATOM 0 HB3 GLU A 110 33.467 31.305 -37.645 1.00 51.22 H new ATOM 0 HG2 GLU A 110 32.714 30.200 -39.833 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.101 30.156 -39.149 1.00 52.11 H new ATOM 674 N ASP A 111 31.621 27.686 -38.497 1.00 31.12 N ATOM 675 CA ASP A 111 30.519 26.735 -38.595 1.00 2.31 C ATOM 676 C ASP A 111 30.750 25.541 -37.675 1.00 54.23 C ATOM 677 O ASP A 111 29.925 25.242 -36.812 1.00 72.33 O ATOM 678 CB ASP A 111 30.357 26.258 -40.039 1.00 61.15 C ATOM 679 CG ASP A 111 29.496 27.194 -40.865 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.884 26.728 -41.848 1.00 62.34 O ATOM 681 OD2 ASP A 111 29.433 28.395 -40.526 1.00 75.41 O1- ATOM 0 H ASP A 111 32.075 27.899 -39.385 1.00 31.12 H new ATOM 0 HA ASP A 111 29.605 27.240 -38.283 1.00 2.31 H new ATOM 0 HB2 ASP A 111 31.340 26.170 -40.502 1.00 61.15 H new ATOM 0 HB3 ASP A 111 29.913 25.263 -40.042 1.00 61.15 H new ATOM 686 N GLU A 112 31.877 24.862 -37.865 1.00 32.13 N ATOM 687 CA GLU A 112 32.214 23.699 -37.052 1.00 62.34 C ATOM 688 C GLU A 112 32.232 24.058 -35.570 1.00 34.15 C ATOM 689 O GLU A 112 31.609 23.385 -34.750 1.00 35.11 O ATOM 690 CB GLU A 112 33.574 23.136 -37.469 1.00 32.10 C ATOM 691 CG GLU A 112 34.040 21.972 -36.608 1.00 0.21 C ATOM 692 CD GLU A 112 33.214 20.719 -36.824 1.00 23.14 C ATOM 693 OE1 GLU A 112 33.575 19.665 -36.261 1.00 62.45 O ATOM 694 OE2 GLU A 112 32.205 20.794 -37.556 1.00 14.24 O1- ATOM 0 H GLU A 112 32.572 25.097 -38.574 1.00 32.13 H new ATOM 0 HA GLU A 112 31.449 22.940 -37.214 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.520 22.810 -38.508 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.317 23.932 -37.423 1.00 32.10 H new ATOM 0 HG2 GLU A 112 35.085 21.756 -36.830 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.990 22.259 -35.558 1.00 0.21 H new ATOM 701 N GLU A 113 32.953 25.124 -35.233 1.00 34.35 N ATOM 702 CA GLU A 113 33.054 25.571 -33.849 1.00 1.04 C ATOM 703 C GLU A 113 31.669 25.754 -33.234 1.00 62.52 C ATOM 704 O GLU A 113 31.331 25.110 -32.241 1.00 62.44 O ATOM 705 CB GLU A 113 33.835 26.885 -33.770 1.00 30.23 C ATOM 706 CG GLU A 113 35.302 26.743 -34.139 1.00 33.05 C ATOM 707 CD GLU A 113 35.990 28.082 -34.323 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.696 28.766 -35.326 1.00 5.24 O ATOM 709 OE2 GLU A 113 36.820 28.447 -33.465 1.00 53.21 O1- ATOM 0 H GLU A 113 33.475 25.693 -35.899 1.00 34.35 H new ATOM 0 HA GLU A 113 33.586 24.805 -33.285 1.00 1.04 H new ATOM 0 HB2 GLU A 113 33.371 27.614 -34.434 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.760 27.282 -32.758 1.00 30.23 H new ATOM 0 HG2 GLU A 113 35.816 26.179 -33.360 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.387 26.166 -35.060 1.00 33.05 H new ATOM 716 N GLN A 114 30.874 26.635 -33.831 1.00 21.15 N ATOM 717 CA GLN A 114 29.526 26.902 -33.342 1.00 15.15 C ATOM 718 C GLN A 114 28.740 25.606 -33.176 1.00 12.24 C ATOM 719 O GLN A 114 28.021 25.424 -32.193 1.00 54.31 O ATOM 720 CB GLN A 114 28.790 27.840 -34.299 1.00 72.44 C ATOM 721 CG GLN A 114 29.202 29.297 -34.160 1.00 22.33 C ATOM 722 CD GLN A 114 28.385 30.221 -35.040 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.560 30.994 -34.551 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.610 30.148 -36.347 1.00 40.41 N ATOM 0 H GLN A 114 31.139 27.176 -34.654 1.00 21.15 H new ATOM 0 HA GLN A 114 29.609 27.382 -32.367 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.972 27.516 -35.324 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.717 27.756 -34.124 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.094 29.603 -33.119 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.257 29.398 -34.414 1.00 22.33 H new ATOM 0 HE21 GLN A 114 29.303 29.493 -36.709 1.00 40.41 H new ATOM 0 HE22 GLN A 114 28.090 30.747 -36.988 1.00 40.41 H new ATOM 733 N LEU A 115 28.880 24.707 -34.144 1.00 24.11 N ATOM 734 CA LEU A 115 28.183 23.426 -34.106 1.00 72.35 C ATOM 735 C LEU A 115 28.666 22.577 -32.935 1.00 40.11 C ATOM 736 O LEU A 115 27.876 21.899 -32.279 1.00 41.13 O ATOM 737 CB LEU A 115 28.392 22.670 -35.419 1.00 4.21 C ATOM 738 CG LEU A 115 27.190 21.879 -35.937 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.583 21.038 -37.141 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.616 21.000 -34.834 1.00 4.03 C ATOM 0 H LEU A 115 29.470 24.841 -34.965 1.00 24.11 H new ATOM 0 HA LEU A 115 27.119 23.624 -33.973 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.687 23.387 -36.185 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.226 21.981 -35.289 1.00 4.21 H new ATOM 0 HG LEU A 115 26.421 22.585 -36.249 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.715 20.482 -37.496 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.947 21.689 -37.936 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.369 20.339 -36.856 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.761 20.444 -35.220 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.379 20.301 -34.492 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.296 21.625 -34.000 1.00 4.03 H new ATOM 752 N MET A 116 29.969 22.621 -32.677 1.00 70.42 N ATOM 753 CA MET A 116 30.557 21.859 -31.582 1.00 64.52 C ATOM 754 C MET A 116 30.012 22.329 -30.237 1.00 75.03 C ATOM 755 O MET A 116 29.423 21.549 -29.487 1.00 41.14 O ATOM 756 CB MET A 116 32.081 21.991 -31.602 1.00 43.44 C ATOM 757 CG MET A 116 32.759 21.381 -30.386 1.00 45.44 C ATOM 758 SD MET A 116 32.288 19.661 -30.116 1.00 64.42 S ATOM 759 CE MET A 116 32.424 19.009 -31.779 1.00 64.32 C ATOM 0 H MET A 116 30.637 23.176 -33.211 1.00 70.42 H new ATOM 0 HA MET A 116 30.288 20.811 -31.716 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.467 21.512 -32.502 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.345 23.047 -31.664 1.00 43.44 H new ATOM 0 HG2 MET A 116 33.840 21.442 -30.509 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.505 21.966 -29.502 1.00 45.44 H new ATOM 0 HE1 MET A 116 32.711 17.958 -31.736 1.00 64.32 H new ATOM 0 HE2 MET A 116 31.464 19.102 -32.286 1.00 64.32 H new ATOM 0 HE3 MET A 116 33.180 19.569 -32.329 1.00 64.32 H new ATOM 769 N THR A 117 30.210 23.609 -29.937 1.00 23.24 N ATOM 770 CA THR A 117 29.740 24.181 -28.683 1.00 45.12 C ATOM 771 C THR A 117 28.254 23.909 -28.476 1.00 55.01 C ATOM 772 O THR A 117 27.837 23.484 -27.400 1.00 75.24 O ATOM 773 CB THR A 117 29.982 25.702 -28.634 1.00 45.34 C ATOM 774 OG1 THR A 117 29.362 26.260 -27.470 1.00 40.01 O ATOM 775 CG2 THR A 117 29.433 26.379 -29.881 1.00 22.51 C ATOM 0 H THR A 117 30.693 24.269 -30.547 1.00 23.24 H new ATOM 0 HA THR A 117 30.309 23.703 -27.886 1.00 45.12 H new ATOM 0 HB THR A 117 31.057 25.874 -28.590 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.522 27.227 -27.446 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.616 27.452 -29.823 1.00 22.51 H new ATOM 0 HG22 THR A 117 29.929 25.974 -30.763 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.361 26.197 -29.952 1.00 22.51 H new ATOM 783 N GLU A 118 27.462 24.155 -29.515 1.00 13.24 N ATOM 784 CA GLU A 118 26.022 23.935 -29.445 1.00 64.41 C ATOM 785 C GLU A 118 25.706 22.451 -29.289 1.00 71.35 C ATOM 786 O GLU A 118 24.818 22.071 -28.524 1.00 2.31 O ATOM 787 CB GLU A 118 25.339 24.483 -30.700 1.00 42.20 C ATOM 788 CG GLU A 118 23.823 24.379 -30.663 1.00 62.40 C ATOM 789 CD GLU A 118 23.141 25.554 -31.335 1.00 32.23 C ATOM 790 OE1 GLU A 118 23.357 26.701 -30.889 1.00 73.11 O ATOM 791 OE2 GLU A 118 22.392 25.328 -32.307 1.00 51.30 O1- ATOM 0 H GLU A 118 27.793 24.506 -30.414 1.00 13.24 H new ATOM 0 HA GLU A 118 25.641 24.464 -28.572 1.00 64.41 H new ATOM 0 HB2 GLU A 118 25.620 25.528 -30.829 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.711 23.943 -31.571 1.00 42.20 H new ATOM 0 HG2 GLU A 118 23.514 23.456 -31.153 1.00 62.40 H new ATOM 0 HG3 GLU A 118 23.492 24.316 -29.626 1.00 62.40 H new ATOM 798 N PHE A 119 26.438 21.615 -30.019 1.00 72.35 N ATOM 799 CA PHE A 119 26.235 20.172 -29.963 1.00 31.24 C ATOM 800 C PHE A 119 26.526 19.636 -28.563 1.00 51.21 C ATOM 801 O PHE A 119 25.977 18.615 -28.151 1.00 74.52 O ATOM 802 CB PHE A 119 27.129 19.470 -30.986 1.00 12.54 C ATOM 803 CG PHE A 119 27.389 18.026 -30.665 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.572 17.642 -30.053 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.452 17.054 -30.973 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.814 16.314 -29.756 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.689 15.725 -30.678 1.00 3.12 C ATOM 808 CZ PHE A 119 27.873 15.354 -30.069 1.00 63.33 C ATOM 0 H PHE A 119 27.177 21.912 -30.656 1.00 72.35 H new ATOM 0 HA PHE A 119 25.191 19.967 -30.202 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.664 19.537 -31.969 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.081 19.997 -31.047 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.312 18.388 -29.806 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.525 17.338 -31.449 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.740 16.027 -29.279 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.950 14.977 -30.923 1.00 3.12 H new ATOM 0 HZ PHE A 119 28.061 14.316 -29.839 1.00 63.33 H new ATOM 818 N LYS A 120 27.395 20.333 -27.839 1.00 14.44 N ATOM 819 CA LYS A 120 27.761 19.929 -26.486 1.00 23.11 C ATOM 820 C LYS A 120 26.738 20.433 -25.473 1.00 34.44 C ATOM 821 O LYS A 120 26.494 19.792 -24.450 1.00 62.52 O ATOM 822 CB LYS A 120 29.150 20.462 -26.132 1.00 32.24 C ATOM 823 CG LYS A 120 30.251 19.422 -26.257 1.00 15.35 C ATOM 824 CD LYS A 120 31.614 20.071 -26.430 1.00 0.00 C ATOM 825 CE LYS A 120 31.966 20.953 -25.242 1.00 12.11 C ATOM 826 NZ LYS A 120 31.993 20.183 -23.968 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.859 21.180 -28.166 1.00 14.44 H new ATOM 0 HA LYS A 120 27.776 18.840 -26.450 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.383 21.305 -26.782 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.135 20.842 -25.110 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.258 18.790 -25.369 1.00 15.35 H new ATOM 0 HG3 LYS A 120 30.045 18.773 -27.108 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.374 19.298 -26.549 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.621 20.668 -27.342 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.939 21.414 -25.408 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.239 21.762 -25.162 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 32.429 20.762 -23.222 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 31.021 19.936 -23.691 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 32.547 19.313 -24.100 1.00 75.10 H new ATOM 840 N LYS A 121 26.140 21.583 -25.765 1.00 31.11 N ATOM 841 CA LYS A 121 25.140 22.172 -24.880 1.00 75.21 C ATOM 842 C LYS A 121 23.777 21.520 -25.090 1.00 2.10 C ATOM 843 O LYS A 121 22.992 21.385 -24.151 1.00 52.44 O ATOM 844 CB LYS A 121 25.039 23.679 -25.124 1.00 1.02 C ATOM 845 CG LYS A 121 23.897 24.071 -26.045 1.00 1.41 C ATOM 846 CD LYS A 121 23.993 25.529 -26.463 1.00 43.52 C ATOM 847 CE LYS A 121 23.879 26.462 -25.267 1.00 20.23 C ATOM 848 NZ LYS A 121 22.828 27.497 -25.469 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.330 22.126 -26.607 1.00 31.11 H new ATOM 0 HA LYS A 121 25.453 21.997 -23.851 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.913 24.186 -24.167 1.00 1.02 H new ATOM 0 HB3 LYS A 121 25.977 24.033 -25.551 1.00 1.02 H new ATOM 0 HG2 LYS A 121 23.909 23.436 -26.931 1.00 1.41 H new ATOM 0 HG3 LYS A 121 22.946 23.898 -25.541 1.00 1.41 H new ATOM 0 HD2 LYS A 121 24.942 25.701 -26.970 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.203 25.756 -27.179 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.650 25.881 -24.374 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.839 26.948 -25.093 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 22.782 28.113 -24.632 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.060 28.068 -26.307 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 21.907 27.034 -25.610 1.00 31.14 H new ATOM 862 N VAL A 122 23.503 21.116 -26.326 1.00 23.10 N ATOM 863 CA VAL A 122 22.236 20.476 -26.658 1.00 13.41 C ATOM 864 C VAL A 122 22.177 19.056 -26.104 1.00 52.23 C ATOM 865 O VAL A 122 21.110 18.441 -26.056 1.00 71.34 O ATOM 866 CB VAL A 122 22.011 20.431 -28.181 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.024 21.836 -28.763 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.062 19.559 -28.849 1.00 1.45 C ATOM 0 H VAL A 122 24.142 21.221 -27.114 1.00 23.10 H new ATOM 0 HA VAL A 122 21.449 21.075 -26.200 1.00 13.41 H new ATOM 0 HB VAL A 122 21.032 19.992 -28.374 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.864 21.785 -29.840 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.230 22.427 -28.305 1.00 0.12 H new ATOM 0 HG13 VAL A 122 22.987 22.304 -28.561 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.888 19.539 -29.925 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.053 19.967 -28.650 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.000 18.546 -28.452 1.00 1.45 H new ATOM 878 N LEU A 123 23.328 18.540 -25.689 1.00 4.14 N ATOM 879 CA LEU A 123 23.407 17.192 -25.138 1.00 53.40 C ATOM 880 C LEU A 123 23.051 17.188 -23.655 1.00 25.13 C ATOM 881 O LEU A 123 22.378 16.278 -23.169 1.00 61.25 O ATOM 882 CB LEU A 123 24.812 16.620 -25.338 1.00 74.02 C ATOM 883 CG LEU A 123 25.062 15.906 -26.667 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.155 16.464 -27.752 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.523 16.033 -27.074 1.00 1.21 C ATOM 0 H LEU A 123 24.219 19.034 -25.723 1.00 4.14 H new ATOM 0 HA LEU A 123 22.688 16.567 -25.667 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.531 17.434 -25.245 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.016 15.920 -24.528 1.00 74.02 H new ATOM 0 HG LEU A 123 24.832 14.848 -26.538 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.347 15.944 -28.690 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.113 16.321 -27.465 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.353 17.528 -27.880 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.683 15.519 -28.022 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.780 17.087 -27.185 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.155 15.584 -26.307 1.00 1.21 H new ATOM 897 N LEU A 124 23.506 18.211 -22.940 1.00 54.13 N ATOM 898 CA LEU A 124 23.233 18.327 -21.511 1.00 75.34 C ATOM 899 C LEU A 124 21.965 19.138 -21.263 1.00 14.20 C ATOM 900 O LEU A 124 21.268 18.929 -20.270 1.00 71.21 O ATOM 901 CB LEU A 124 24.418 18.982 -20.798 1.00 22.35 C ATOM 902 CG LEU A 124 25.784 18.339 -21.038 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.890 19.377 -20.926 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.018 17.200 -20.057 1.00 45.33 C ATOM 0 H LEU A 124 24.065 18.972 -23.326 1.00 54.13 H new ATOM 0 HA LEU A 124 23.085 17.324 -21.111 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.471 20.026 -21.107 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.220 18.977 -19.726 1.00 22.35 H new ATOM 0 HG LEU A 124 25.798 17.930 -22.048 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.855 18.901 -21.100 1.00 33.13 H new ATOM 0 HD12 LEU A 124 26.732 20.159 -21.669 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.877 19.817 -19.929 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.995 16.754 -20.243 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.983 17.585 -19.038 1.00 45.33 H new ATOM 0 HD23 LEU A 124 25.244 16.444 -20.186 1.00 45.33 H new ATOM 916 N GLU A 125 21.671 20.061 -22.173 1.00 14.41 N ATOM 917 CA GLU A 125 20.486 20.901 -22.052 1.00 41.11 C ATOM 918 C GLU A 125 19.258 20.064 -21.705 1.00 63.43 C ATOM 919 O GLU A 125 18.617 20.256 -20.671 1.00 14.15 O ATOM 920 CB GLU A 125 20.242 21.668 -23.354 1.00 64.13 C ATOM 921 CG GLU A 125 18.775 21.957 -23.624 1.00 62.33 C ATOM 922 CD GLU A 125 18.575 22.996 -24.711 1.00 4.53 C ATOM 923 OE1 GLU A 125 19.515 23.213 -25.503 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.478 23.590 -24.769 1.00 3.44 O1- ATOM 0 H GLU A 125 22.237 20.246 -23.001 1.00 14.41 H new ATOM 0 HA GLU A 125 20.659 21.613 -21.245 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.789 22.610 -23.319 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.650 21.094 -24.186 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.274 21.033 -23.913 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.302 22.302 -22.705 1.00 62.33 H new ATOM 931 N PRO A 126 18.922 19.113 -22.588 1.00 30.12 N ATOM 932 CA PRO A 126 17.770 18.226 -22.396 1.00 22.40 C ATOM 933 C PRO A 126 17.986 17.233 -21.260 1.00 25.33 C ATOM 934 O PRO A 126 19.119 16.958 -20.870 1.00 41.31 O ATOM 935 CB PRO A 126 17.661 17.492 -23.735 1.00 61.24 C ATOM 936 CG PRO A 126 19.040 17.529 -24.301 1.00 12.33 C ATOM 937 CD PRO A 126 19.641 18.828 -23.840 1.00 0.12 C ATOM 0 HA PRO A 126 16.871 18.779 -22.123 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.317 16.467 -23.598 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.948 17.982 -24.398 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.628 16.681 -23.951 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.017 17.474 -25.389 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.715 18.737 -23.675 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.497 19.620 -24.575 1.00 0.12 H new ATOM 945 N GLY A 127 16.888 16.697 -20.733 1.00 43.42 N ATOM 946 CA GLY A 127 16.979 15.739 -19.647 1.00 51.41 C ATOM 947 C GLY A 127 17.078 14.310 -20.140 1.00 23.25 C ATOM 948 O GLY A 127 17.570 13.433 -19.430 1.00 21.10 O ATOM 0 H GLY A 127 15.938 16.909 -21.039 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.851 15.970 -19.035 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.104 15.838 -19.005 1.00 51.41 H new ATOM 952 N SER A 128 16.607 14.073 -21.360 1.00 64.24 N ATOM 953 CA SER A 128 16.640 12.738 -21.947 1.00 14.15 C ATOM 954 C SER A 128 17.995 12.461 -22.591 1.00 43.42 C ATOM 955 O SER A 128 18.072 12.026 -23.741 1.00 75.43 O ATOM 956 CB SER A 128 15.527 12.587 -22.986 1.00 12.14 C ATOM 957 OG SER A 128 14.309 13.134 -22.511 1.00 41.51 O ATOM 0 H SER A 128 16.198 14.788 -21.962 1.00 64.24 H new ATOM 0 HA SER A 128 16.482 12.013 -21.149 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.818 13.086 -23.910 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.388 11.532 -23.224 1.00 12.14 H new ATOM 0 HG SER A 128 13.614 13.027 -23.194 1.00 41.51 H new ATOM 963 N LYS A 129 19.062 12.716 -21.843 1.00 13.44 N ATOM 964 CA LYS A 129 20.416 12.494 -22.338 1.00 70.44 C ATOM 965 C LYS A 129 20.591 11.056 -22.816 1.00 11.20 C ATOM 966 O LYS A 129 21.518 10.749 -23.565 1.00 23.24 O ATOM 967 CB LYS A 129 21.440 12.808 -21.245 1.00 55.21 C ATOM 968 CG LYS A 129 21.230 12.013 -19.969 1.00 13.43 C ATOM 969 CD LYS A 129 21.678 12.794 -18.744 1.00 2.32 C ATOM 970 CE LYS A 129 20.703 13.911 -18.410 1.00 34.02 C ATOM 971 NZ LYS A 129 21.395 15.097 -17.833 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.016 13.077 -20.890 1.00 13.44 H new ATOM 0 HA LYS A 129 20.581 13.162 -23.183 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.441 12.607 -21.628 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.395 13.872 -21.012 1.00 55.21 H new ATOM 0 HG2 LYS A 129 20.176 11.753 -19.870 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.785 11.077 -20.027 1.00 13.43 H new ATOM 0 HD2 LYS A 129 21.766 12.119 -17.893 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.668 13.214 -18.921 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.167 14.207 -19.312 1.00 34.02 H new ATOM 0 HE3 LYS A 129 19.959 13.544 -17.702 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.696 15.837 -17.619 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.886 14.821 -16.959 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.087 15.463 -18.518 1.00 60.14 H new ATOM 985 N ASN A 130 19.695 10.178 -22.377 1.00 50.25 N ATOM 986 CA ASN A 130 19.750 8.773 -22.760 1.00 20.54 C ATOM 987 C ASN A 130 19.115 8.556 -24.130 1.00 24.34 C ATOM 988 O ASN A 130 18.664 7.456 -24.451 1.00 52.01 O ATOM 989 CB ASN A 130 19.041 7.908 -21.715 1.00 13.43 C ATOM 990 CG ASN A 130 19.879 7.708 -20.467 1.00 62.11 C ATOM 991 OD1 ASN A 130 20.157 8.656 -19.733 1.00 43.45 O ATOM 992 ND2 ASN A 130 20.284 6.468 -20.220 1.00 30.42 N ATOM 0 H ASN A 130 18.922 10.415 -21.755 1.00 50.25 H new ATOM 0 HA ASN A 130 20.798 8.480 -22.814 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.094 8.374 -21.443 1.00 13.43 H new ATOM 0 HB3 ASN A 130 18.805 6.937 -22.150 1.00 13.43 H new ATOM 0 HD21 ASN A 130 20.849 6.271 -19.394 1.00 30.42 H new ATOM 0 HD22 ASN A 130 20.030 5.712 -20.856 1.00 30.42 H new ATOM 999 N LEU A 131 19.084 9.613 -24.935 1.00 22.31 N ATOM 1000 CA LEU A 131 18.504 9.539 -26.272 1.00 15.12 C ATOM 1001 C LEU A 131 19.532 9.042 -27.284 1.00 65.34 C ATOM 1002 O LEU A 131 20.733 9.042 -27.015 1.00 42.41 O ATOM 1003 CB LEU A 131 17.977 10.912 -26.697 1.00 11.43 C ATOM 1004 CG LEU A 131 18.988 12.058 -26.664 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.680 12.198 -28.010 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.304 13.361 -26.276 1.00 50.13 C ATOM 0 H LEU A 131 19.453 10.530 -24.686 1.00 22.31 H new ATOM 0 HA LEU A 131 17.676 8.831 -26.244 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.583 10.830 -27.710 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.140 11.174 -26.050 1.00 11.43 H new ATOM 0 HG LEU A 131 19.743 11.829 -25.912 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.396 13.019 -27.967 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.203 11.272 -28.248 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.938 12.404 -28.781 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.039 14.166 -26.257 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.527 13.595 -27.004 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.855 13.256 -25.288 1.00 50.13 H new ATOM 1018 N SER A 132 19.051 8.620 -28.450 1.00 12.44 N ATOM 1019 CA SER A 132 19.926 8.118 -29.501 1.00 34.35 C ATOM 1020 C SER A 132 20.877 9.210 -29.983 1.00 0.35 C ATOM 1021 O SER A 132 20.517 10.386 -30.031 1.00 24.34 O ATOM 1022 CB SER A 132 19.099 7.593 -30.676 1.00 71.11 C ATOM 1023 OG SER A 132 17.858 8.270 -30.768 1.00 74.41 O ATOM 0 H SER A 132 18.060 8.616 -28.689 1.00 12.44 H new ATOM 0 HA SER A 132 20.517 7.301 -29.088 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.657 7.722 -31.604 1.00 71.11 H new ATOM 0 HB3 SER A 132 18.926 6.524 -30.554 1.00 71.11 H new ATOM 0 HG SER A 132 17.230 7.732 -31.294 1.00 74.41 H new ATOM 1029 N ILE A 133 22.093 8.811 -30.340 1.00 2.43 N ATOM 1030 CA ILE A 133 23.096 9.754 -30.819 1.00 72.04 C ATOM 1031 C ILE A 133 22.639 10.439 -32.102 1.00 24.01 C ATOM 1032 O ILE A 133 23.143 11.503 -32.463 1.00 53.43 O ATOM 1033 CB ILE A 133 24.446 9.058 -31.076 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.465 10.059 -31.625 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.267 7.894 -32.039 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.851 9.892 -31.044 1.00 63.31 C ATOM 0 H ILE A 133 22.407 7.841 -30.307 1.00 2.43 H new ATOM 0 HA ILE A 133 23.224 10.502 -30.036 1.00 72.04 H new ATOM 0 HB ILE A 133 24.822 8.667 -30.130 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.519 9.953 -32.708 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.114 11.071 -31.421 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.230 7.412 -32.211 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.571 7.172 -31.612 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.872 8.262 -32.986 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.520 10.635 -31.479 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.811 10.028 -29.963 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.222 8.893 -31.270 1.00 63.31 H new ATOM 1048 N TYR A 134 21.679 9.824 -32.784 1.00 51.34 N ATOM 1049 CA TYR A 134 21.152 10.374 -34.027 1.00 14.53 C ATOM 1050 C TYR A 134 20.450 11.706 -33.779 1.00 72.13 C ATOM 1051 O TYR A 134 20.574 12.641 -34.570 1.00 64.14 O ATOM 1052 CB TYR A 134 20.182 9.386 -34.676 1.00 10.23 C ATOM 1053 CG TYR A 134 19.643 9.853 -36.009 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.187 9.394 -37.201 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.587 10.755 -36.077 1.00 14.43 C ATOM 1056 CE1 TYR A 134 19.699 9.819 -38.422 1.00 43.31 C ATOM 1057 CE2 TYR A 134 18.091 11.185 -37.292 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.650 10.714 -38.462 1.00 2.11 C ATOM 1059 OH TYR A 134 18.159 11.139 -39.675 1.00 3.43 O ATOM 0 H TYR A 134 21.250 8.944 -32.497 1.00 51.34 H new ATOM 0 HA TYR A 134 21.990 10.546 -34.702 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.688 8.430 -34.813 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.347 9.211 -33.997 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.007 8.692 -37.173 1.00 75.12 H new ATOM 0 HD2 TYR A 134 18.147 11.126 -35.163 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.136 9.453 -39.339 1.00 43.31 H new ATOM 0 HE2 TYR A 134 17.270 11.886 -37.326 1.00 22.22 H new ATOM 0 HH TYR A 134 17.421 11.766 -39.527 1.00 3.43 H new ATOM 1069 N GLN A 135 19.714 11.782 -32.676 1.00 15.24 N ATOM 1070 CA GLN A 135 18.991 12.999 -32.323 1.00 3.44 C ATOM 1071 C GLN A 135 19.954 14.094 -31.876 1.00 63.55 C ATOM 1072 O GLN A 135 19.831 15.250 -32.283 1.00 15.31 O ATOM 1073 CB GLN A 135 17.977 12.712 -31.214 1.00 23.05 C ATOM 1074 CG GLN A 135 17.253 11.385 -31.380 1.00 5.20 C ATOM 1075 CD GLN A 135 16.841 11.121 -32.815 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.292 11.996 -33.486 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.104 9.911 -33.293 1.00 23.23 N ATOM 0 H GLN A 135 19.602 11.017 -32.011 1.00 15.24 H new ATOM 0 HA GLN A 135 18.461 13.346 -33.210 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.491 12.718 -30.253 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.242 13.517 -31.188 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.900 10.577 -31.037 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.368 11.376 -30.744 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.561 9.217 -32.701 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.850 9.675 -34.252 1.00 23.23 H new ATOM 1086 N THR A 136 20.915 13.723 -31.035 1.00 4.35 N ATOM 1087 CA THR A 136 21.899 14.674 -30.532 1.00 41.33 C ATOM 1088 C THR A 136 22.551 15.447 -31.672 1.00 13.53 C ATOM 1089 O THR A 136 22.469 16.674 -31.731 1.00 52.25 O ATOM 1090 CB THR A 136 22.995 13.967 -29.712 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.392 12.757 -30.367 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.504 13.652 -28.307 1.00 12.34 C ATOM 0 H THR A 136 21.033 12.771 -30.688 1.00 4.35 H new ATOM 0 HA THR A 136 21.364 15.370 -29.886 1.00 41.33 H new ATOM 0 HB THR A 136 23.851 14.638 -29.637 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.883 12.653 -31.198 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.296 13.153 -27.748 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.231 14.578 -27.801 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.633 12.999 -28.364 1.00 12.34 H new ATOM 1100 N LEU A 137 23.198 14.721 -32.578 1.00 40.20 N ATOM 1101 CA LEU A 137 23.864 15.339 -33.719 1.00 24.30 C ATOM 1102 C LEU A 137 22.859 16.060 -34.612 1.00 25.13 C ATOM 1103 O LEU A 137 23.063 17.215 -34.986 1.00 73.04 O ATOM 1104 CB LEU A 137 24.617 14.282 -34.529 1.00 71.51 C ATOM 1105 CG LEU A 137 25.993 14.692 -35.054 1.00 14.44 C ATOM 1106 CD1 LEU A 137 25.887 15.946 -35.907 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.960 14.910 -33.900 1.00 41.53 C ATOM 0 H LEU A 137 23.275 13.704 -32.544 1.00 40.20 H new ATOM 0 HA LEU A 137 24.576 16.072 -33.339 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.737 13.395 -33.907 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.997 13.995 -35.378 1.00 71.51 H new ATOM 0 HG LEU A 137 26.378 13.885 -35.678 1.00 14.44 H new ATOM 0 HD11 LEU A 137 26.876 16.223 -36.272 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.228 15.755 -36.754 1.00 42.21 H new ATOM 0 HD13 LEU A 137 25.481 16.761 -35.307 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.934 15.201 -34.292 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.580 15.698 -33.251 1.00 41.53 H new ATOM 0 HD23 LEU A 137 27.060 13.987 -33.329 1.00 41.53 H new ATOM 1119 N LEU A 138 21.773 15.372 -34.947 1.00 10.14 N ATOM 1120 CA LEU A 138 20.735 15.947 -35.794 1.00 31.24 C ATOM 1121 C LEU A 138 20.293 17.308 -35.266 1.00 11.02 C ATOM 1122 O LEU A 138 20.441 18.326 -35.942 1.00 71.33 O ATOM 1123 CB LEU A 138 19.533 15.004 -35.872 1.00 41.12 C ATOM 1124 CG LEU A 138 18.211 15.636 -36.308 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.572 14.824 -37.424 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.261 15.757 -35.123 1.00 22.45 C ATOM 0 H LEU A 138 21.589 14.415 -34.645 1.00 10.14 H new ATOM 0 HA LEU A 138 21.150 16.082 -36.793 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.773 14.198 -36.565 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.389 14.549 -34.892 1.00 41.12 H new ATOM 0 HG LEU A 138 18.417 16.637 -36.688 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.632 15.290 -37.721 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.246 14.789 -38.280 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.379 13.810 -37.072 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.325 16.209 -35.452 1.00 22.45 H new ATOM 0 HD22 LEU A 138 17.062 14.767 -34.714 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.716 16.382 -34.355 1.00 22.45 H new ATOM 1138 N ALA A 139 19.752 17.319 -34.052 1.00 11.23 N ATOM 1139 CA ALA A 139 19.293 18.555 -33.431 1.00 25.20 C ATOM 1140 C ALA A 139 20.381 19.623 -33.465 1.00 1.41 C ATOM 1141 O ALA A 139 20.155 20.738 -33.933 1.00 21.21 O ATOM 1142 CB ALA A 139 18.851 18.294 -31.999 1.00 44.04 C ATOM 0 H ALA A 139 19.621 16.485 -33.479 1.00 11.23 H new ATOM 0 HA ALA A 139 18.440 18.924 -34.001 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.511 19.226 -31.548 1.00 44.04 H new ATOM 0 HB2 ALA A 139 18.036 17.571 -31.996 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.689 17.898 -31.426 1.00 44.04 H new ATOM 1148 N ALA A 140 21.562 19.274 -32.964 1.00 70.34 N ATOM 1149 CA ALA A 140 22.685 20.203 -32.939 1.00 73.32 C ATOM 1150 C ALA A 140 22.945 20.788 -34.323 1.00 31.53 C ATOM 1151 O ALA A 140 23.356 21.942 -34.454 1.00 61.43 O ATOM 1152 CB ALA A 140 23.933 19.508 -32.414 1.00 20.30 C ATOM 0 H ALA A 140 21.765 18.355 -32.570 1.00 70.34 H new ATOM 0 HA ALA A 140 22.431 21.024 -32.269 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.764 20.213 -32.401 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.749 19.145 -31.403 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.181 18.667 -33.062 1.00 20.30 H new ATOM 1158 N HIS A 141 22.705 19.985 -35.355 1.00 1.44 N ATOM 1159 CA HIS A 141 22.913 20.424 -36.730 1.00 35.23 C ATOM 1160 C HIS A 141 21.805 21.375 -37.171 1.00 23.11 C ATOM 1161 O HIS A 141 22.055 22.548 -37.444 1.00 71.12 O ATOM 1162 CB HIS A 141 22.971 19.218 -37.669 1.00 54.14 C ATOM 1163 CG HIS A 141 23.029 19.590 -39.118 1.00 62.40 C ATOM 1164 ND1 HIS A 141 22.056 19.643 -40.058 1.00 11.41 N flip ATOM 1165 CD2 HIS A 141 24.194 19.963 -39.753 1.00 55.51 C flip ATOM 1166 CE1 HIS A 141 22.646 20.044 -41.232 1.00 43.34 C flip ATOM 1167 NE2 HIS A 141 23.936 20.232 -41.021 1.00 1.53 N flip ATOM 0 H HIS A 141 22.366 19.027 -35.265 1.00 1.44 H new ATOM 0 HA HIS A 141 23.863 20.957 -36.776 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.846 18.617 -37.421 1.00 54.14 H new ATOM 0 HB3 HIS A 141 22.095 18.592 -37.498 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.166 20.026 -39.287 1.00 55.51 H new ATOM 0 HE1 HIS A 141 22.137 20.183 -42.175 1.00 43.34 H new ATOM 0 HE2 HIS A 141 24.617 20.533 -41.718 1.00 1.53 H new ATOM 1176 N GLU A 142 20.582 20.860 -37.239 1.00 21.22 N ATOM 1177 CA GLU A 142 19.437 21.663 -37.649 1.00 60.01 C ATOM 1178 C GLU A 142 19.350 22.946 -36.829 1.00 12.12 C ATOM 1179 O GLU A 142 18.947 23.994 -37.333 1.00 65.25 O ATOM 1180 CB GLU A 142 18.142 20.861 -37.500 1.00 0.33 C ATOM 1181 CG GLU A 142 17.941 20.284 -36.108 1.00 13.53 C ATOM 1182 CD GLU A 142 17.049 19.058 -36.108 1.00 12.43 C ATOM 1183 OE1 GLU A 142 16.416 18.784 -35.067 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.982 18.374 -37.151 1.00 0.23 O1- ATOM 0 H GLU A 142 20.359 19.890 -37.015 1.00 21.22 H new ATOM 0 HA GLU A 142 19.571 21.930 -38.697 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.296 21.504 -37.743 1.00 0.33 H new ATOM 0 HB3 GLU A 142 18.143 20.047 -38.225 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.910 20.023 -35.683 1.00 13.53 H new ATOM 0 HG3 GLU A 142 17.505 21.046 -35.462 1.00 13.53 H new ATOM 1191 N ARG A 143 19.731 22.856 -35.558 1.00 11.21 N ATOM 1192 CA ARG A 143 19.696 24.008 -34.665 1.00 60.32 C ATOM 1193 C ARG A 143 20.730 25.051 -35.082 1.00 61.53 C ATOM 1194 O ARG A 143 20.512 26.253 -34.930 1.00 4.22 O ATOM 1195 CB ARG A 143 19.951 23.570 -33.222 1.00 31.13 C ATOM 1196 CG ARG A 143 18.723 22.996 -32.534 1.00 61.33 C ATOM 1197 CD ARG A 143 18.595 23.505 -31.107 1.00 34.34 C ATOM 1198 NE ARG A 143 18.225 24.918 -31.060 1.00 43.43 N ATOM 1199 CZ ARG A 143 16.994 25.362 -31.288 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.020 24.509 -31.576 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 16.734 26.662 -31.227 1.00 72.21 N ATOM 0 H ARG A 143 20.068 21.997 -35.124 1.00 11.21 H new ATOM 0 HA ARG A 143 18.705 24.457 -34.731 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.745 22.823 -33.213 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.311 24.425 -32.650 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.830 23.264 -33.098 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.783 21.908 -32.529 1.00 61.33 H new ATOM 0 HD2 ARG A 143 17.845 22.916 -30.578 1.00 34.34 H new ATOM 0 HD3 ARG A 143 19.541 23.360 -30.584 1.00 34.34 H new ATOM 0 HE ARG A 143 18.951 25.600 -30.840 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.215 23.509 -31.623 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.076 24.853 -31.751 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.480 27.321 -31.005 1.00 72.21 H new ATOM 0 HH22 ARG A 143 15.788 27.002 -31.402 1.00 72.21 H new ATOM 1215 N LEU A 144 21.857 24.582 -35.607 1.00 51.52 N ATOM 1216 CA LEU A 144 22.926 25.473 -36.046 1.00 34.24 C ATOM 1217 C LEU A 144 22.473 26.324 -37.228 1.00 61.12 C ATOM 1218 O LEU A 144 22.861 27.486 -37.351 1.00 51.43 O ATOM 1219 CB LEU A 144 24.165 24.663 -36.430 1.00 61.43 C ATOM 1220 CG LEU A 144 25.378 25.472 -36.893 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.169 25.979 -35.697 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.263 24.634 -37.803 1.00 54.33 C ATOM 0 H LEU A 144 22.054 23.590 -35.739 1.00 51.52 H new ATOM 0 HA LEU A 144 23.176 26.137 -35.219 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.461 24.061 -35.571 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.890 23.971 -37.226 1.00 61.43 H new ATOM 0 HG LEU A 144 25.022 26.333 -37.459 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.028 26.552 -36.046 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.532 26.616 -35.083 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.514 25.132 -35.104 1.00 42.11 H new ATOM 0 HD21 LEU A 144 27.121 25.226 -38.122 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.611 23.754 -37.262 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.693 24.321 -38.677 1.00 54.33 H new ATOM 1234 N GLN A 145 21.651 25.739 -38.092 1.00 51.00 N ATOM 1235 CA GLN A 145 21.145 26.446 -39.263 1.00 12.25 C ATOM 1236 C GLN A 145 19.692 26.861 -39.063 1.00 12.51 C ATOM 1237 O GLN A 145 18.904 26.875 -40.008 1.00 14.40 O ATOM 1238 CB GLN A 145 21.270 25.567 -40.509 1.00 54.30 C ATOM 1239 CG GLN A 145 22.653 24.960 -40.689 1.00 44.02 C ATOM 1240 CD GLN A 145 22.760 23.569 -40.097 1.00 45.43 C ATOM 1241 OE1 GLN A 145 23.945 23.225 -39.603 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 21.790 22.811 -40.082 1.00 40.43 N flip ATOM 0 H GLN A 145 21.321 24.778 -38.004 1.00 51.00 H new ATOM 0 HA GLN A 145 21.745 27.346 -39.400 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.535 24.764 -40.453 1.00 54.30 H new ATOM 0 HB3 GLN A 145 21.026 26.162 -41.389 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.892 24.918 -41.752 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.394 25.608 -40.221 1.00 44.02 H new ATOM 0 HE21 GLN A 145 20.898 23.116 -40.472 1.00 40.43 H new ATOM 0 HE22 GLN A 145 21.878 21.878 -39.679 1.00 40.43 H new ATOM 1251 N ALA A 146 19.343 27.199 -37.826 1.00 25.41 N ATOM 1252 CA ALA A 146 17.984 27.616 -37.502 1.00 61.13 C ATOM 1253 C ALA A 146 17.880 29.136 -37.424 1.00 43.10 C ATOM 1254 O ALA A 146 18.779 29.804 -36.912 1.00 53.12 O ATOM 1255 CB ALA A 146 17.538 26.987 -36.190 1.00 73.03 C ATOM 0 H ALA A 146 19.983 27.192 -37.032 1.00 25.41 H new ATOM 0 HA ALA A 146 17.325 27.273 -38.300 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.522 27.307 -35.960 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.565 25.901 -36.279 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.207 27.302 -35.389 1.00 73.03 H new ATOM 1261 N LEU A 147 16.780 29.675 -37.937 1.00 64.13 N ATOM 1262 CA LEU A 147 16.558 31.118 -37.927 1.00 53.53 C ATOM 1263 C LEU A 147 16.625 31.668 -36.506 1.00 25.45 C ATOM 1264 O LEU A 147 17.661 32.205 -36.116 1.00 52.04 O ATOM 1265 CB LEU A 147 15.202 31.449 -38.552 1.00 12.24 C ATOM 1266 CG LEU A 147 15.201 31.690 -40.062 1.00 10.30 C ATOM 1267 CD1 LEU A 147 13.777 31.804 -40.583 1.00 75.04 C ATOM 1268 CD2 LEU A 147 15.998 32.940 -40.404 1.00 34.23 C ATOM 0 H LEU A 147 16.028 29.136 -38.365 1.00 64.13 H new ATOM 0 HA LEU A 147 17.346 31.587 -38.516 1.00 53.53 H new ATOM 0 HB2 LEU A 147 14.515 30.632 -38.334 1.00 12.24 H new ATOM 0 HB3 LEU A 147 14.806 32.338 -38.062 1.00 12.24 H new ATOM 0 HG LEU A 147 15.676 30.837 -40.547 1.00 10.30 H new ATOM 0 HD11 LEU A 147 13.796 31.975 -41.659 1.00 75.04 H new ATOM 0 HD12 LEU A 147 13.237 30.881 -40.372 1.00 75.04 H new ATOM 0 HD13 LEU A 147 13.275 32.638 -40.092 1.00 75.04 H new ATOM 0 HD21 LEU A 147 15.986 33.095 -41.483 1.00 34.23 H new ATOM 0 HD22 LEU A 147 15.553 33.803 -39.908 1.00 34.23 H new ATOM 0 HD23 LEU A 147 17.027 32.819 -40.066 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 29.805 -38.249 -64.109 1.00 21.13 N ATOM 1282 CA HIS B 518 31.129 -37.641 -64.177 1.00 35.22 C ATOM 1283 C HIS B 518 31.836 -37.727 -62.828 1.00 35.13 C ATOM 1284 O HIS B 518 31.211 -38.000 -61.804 1.00 13.03 O ATOM 1285 CB HIS B 518 31.020 -36.181 -64.618 1.00 50.40 C ATOM 1286 CG HIS B 518 30.541 -36.014 -66.027 1.00 11.31 C ATOM 1287 ND1 HIS B 518 30.752 -34.867 -66.762 1.00 51.44 N ATOM 1288 CD2 HIS B 518 29.859 -36.858 -66.836 1.00 52.22 C ATOM 1289 CE1 HIS B 518 30.219 -35.012 -67.963 1.00 51.12 C ATOM 1290 NE2 HIS B 518 29.672 -36.212 -68.033 1.00 12.11 N ATOM 0 HA HIS B 518 31.718 -38.191 -64.911 1.00 35.22 H new ATOM 0 HB2 HIS B 518 30.339 -35.658 -63.947 1.00 50.40 H new ATOM 0 HB3 HIS B 518 31.996 -35.706 -64.516 1.00 50.40 H new ATOM 0 HD2 HIS B 518 29.524 -37.854 -66.586 1.00 52.22 H new ATOM 0 HE1 HIS B 518 30.229 -34.275 -68.752 1.00 51.12 H new ATOM 0 HE2 HIS B 518 29.189 -36.597 -68.845 1.00 12.11 H new ATOM 1299 N MET B 519 33.144 -37.492 -62.836 1.00 20.22 N ATOM 1300 CA MET B 519 33.937 -37.543 -61.613 1.00 45.23 C ATOM 1301 C MET B 519 35.349 -37.020 -61.857 1.00 50.30 C ATOM 1302 O MET B 519 35.725 -36.730 -62.993 1.00 40.52 O ATOM 1303 CB MET B 519 33.996 -38.974 -61.077 1.00 3.13 C ATOM 1304 CG MET B 519 34.084 -39.053 -59.561 1.00 31.34 C ATOM 1305 SD MET B 519 33.489 -40.626 -58.912 1.00 5.43 S ATOM 1306 CE MET B 519 34.761 -41.740 -59.506 1.00 34.34 C ATOM 0 H MET B 519 33.677 -37.264 -63.675 1.00 20.22 H new ATOM 0 HA MET B 519 33.456 -36.905 -60.872 1.00 45.23 H new ATOM 0 HB2 MET B 519 33.110 -39.515 -61.410 1.00 3.13 H new ATOM 0 HB3 MET B 519 34.859 -39.480 -61.510 1.00 3.13 H new ATOM 0 HG2 MET B 519 35.119 -38.905 -59.253 1.00 31.34 H new ATOM 0 HG3 MET B 519 33.503 -38.241 -59.124 1.00 31.34 H new ATOM 0 HE1 MET B 519 34.534 -42.756 -59.184 1.00 34.34 H new ATOM 0 HE2 MET B 519 34.797 -41.703 -60.595 1.00 34.34 H new ATOM 0 HE3 MET B 519 35.727 -41.439 -59.101 1.00 34.34 H new ATOM 1316 N ASP B 520 36.125 -36.902 -60.786 1.00 74.23 N ATOM 1317 CA ASP B 520 37.497 -36.416 -60.884 1.00 31.44 C ATOM 1318 C ASP B 520 38.373 -37.411 -61.638 1.00 44.32 C ATOM 1319 O ASP B 520 38.046 -38.591 -61.768 1.00 1.42 O ATOM 1320 CB ASP B 520 38.072 -36.163 -59.490 1.00 25.13 C ATOM 1321 CG ASP B 520 37.790 -34.761 -58.992 1.00 32.35 C ATOM 1322 OD1 ASP B 520 38.673 -33.891 -59.138 1.00 72.23 O ATOM 1323 OD2 ASP B 520 36.686 -34.531 -58.456 1.00 3.02 O1- ATOM 0 H ASP B 520 35.828 -37.136 -59.839 1.00 74.23 H new ATOM 0 HA ASP B 520 37.486 -35.478 -61.438 1.00 31.44 H new ATOM 0 HB2 ASP B 520 37.651 -36.885 -58.790 1.00 25.13 H new ATOM 0 HB3 ASP B 520 39.149 -36.328 -59.509 1.00 25.13 H new ATOM 1328 N PRO B 521 39.514 -36.925 -62.150 1.00 54.32 N ATOM 1329 CA PRO B 521 40.461 -37.756 -62.900 1.00 73.43 C ATOM 1330 C PRO B 521 41.176 -38.767 -62.012 1.00 14.40 C ATOM 1331 O PRO B 521 41.256 -39.952 -62.341 1.00 3.11 O ATOM 1332 CB PRO B 521 41.458 -36.737 -63.461 1.00 34.25 C ATOM 1333 CG PRO B 521 41.389 -35.584 -62.521 1.00 74.43 C ATOM 1334 CD PRO B 521 39.968 -35.529 -62.036 1.00 2.40 C ATOM 0 HA PRO B 521 39.963 -38.353 -63.664 1.00 73.43 H new ATOM 0 HB2 PRO B 521 42.465 -37.152 -63.506 1.00 34.25 H new ATOM 0 HB3 PRO B 521 41.191 -36.438 -64.475 1.00 34.25 H new ATOM 0 HG2 PRO B 521 42.080 -35.717 -61.689 1.00 74.43 H new ATOM 0 HG3 PRO B 521 41.667 -34.656 -63.021 1.00 74.43 H new ATOM 0 HD2 PRO B 521 39.908 -35.170 -61.009 1.00 2.40 H new ATOM 0 HD3 PRO B 521 39.361 -34.858 -62.645 1.00 2.40 H new ATOM 1342 N LEU B 522 41.694 -38.295 -60.884 1.00 1.11 N ATOM 1343 CA LEU B 522 42.403 -39.160 -59.946 1.00 75.22 C ATOM 1344 C LEU B 522 42.750 -38.406 -58.666 1.00 30.33 C ATOM 1345 O LEU B 522 42.271 -37.294 -58.437 1.00 4.43 O ATOM 1346 CB LEU B 522 43.677 -39.707 -60.590 1.00 22.31 C ATOM 1347 CG LEU B 522 44.773 -38.684 -60.886 1.00 23.42 C ATOM 1348 CD1 LEU B 522 46.028 -39.000 -60.089 1.00 31.54 C ATOM 1349 CD2 LEU B 522 45.082 -38.649 -62.376 1.00 64.43 C ATOM 0 H LEU B 522 41.637 -37.318 -60.596 1.00 1.11 H new ATOM 0 HA LEU B 522 41.747 -39.992 -59.690 1.00 75.22 H new ATOM 0 HB2 LEU B 522 44.091 -40.473 -59.935 1.00 22.31 H new ATOM 0 HB3 LEU B 522 43.405 -40.199 -61.524 1.00 22.31 H new ATOM 0 HG LEU B 522 44.414 -37.700 -60.585 1.00 23.42 H new ATOM 0 HD11 LEU B 522 46.797 -38.261 -60.313 1.00 31.54 H new ATOM 0 HD12 LEU B 522 45.799 -38.974 -59.024 1.00 31.54 H new ATOM 0 HD13 LEU B 522 46.389 -39.993 -60.358 1.00 31.54 H new ATOM 0 HD21 LEU B 522 45.865 -37.915 -62.568 1.00 64.43 H new ATOM 0 HD22 LEU B 522 45.420 -39.633 -62.701 1.00 64.43 H new ATOM 0 HD23 LEU B 522 44.183 -38.374 -62.928 1.00 64.43 H new ATOM 1361 N THR B 523 43.589 -39.016 -57.835 1.00 53.05 N ATOM 1362 CA THR B 523 44.001 -38.404 -56.579 1.00 40.25 C ATOM 1363 C THR B 523 45.425 -37.868 -56.670 1.00 12.10 C ATOM 1364 O THR B 523 46.402 -38.601 -56.512 1.00 20.21 O ATOM 1365 CB THR B 523 43.916 -39.404 -55.410 1.00 32.04 C ATOM 1366 OG1 THR B 523 44.359 -40.696 -55.839 1.00 63.35 O ATOM 1367 CG2 THR B 523 42.492 -39.499 -54.883 1.00 73.11 C ATOM 0 H THR B 523 43.997 -39.934 -58.010 1.00 53.05 H new ATOM 0 HA THR B 523 43.315 -37.578 -56.391 1.00 40.25 H new ATOM 0 HB THR B 523 44.561 -39.048 -54.607 1.00 32.04 H new ATOM 0 HG1 THR B 523 45.231 -40.614 -56.278 1.00 63.35 H new ATOM 0 HG21 THR B 523 42.456 -40.211 -54.058 1.00 73.11 H new ATOM 0 HG22 THR B 523 42.168 -38.519 -54.531 1.00 73.11 H new ATOM 0 HG23 THR B 523 41.830 -39.835 -55.681 1.00 73.11 H new ATOM 1375 N PRO B 524 45.550 -36.558 -56.932 1.00 61.23 N ATOM 1376 CA PRO B 524 46.852 -35.894 -57.049 1.00 21.31 C ATOM 1377 C PRO B 524 47.575 -35.795 -55.711 1.00 11.10 C ATOM 1378 O PRO B 524 46.953 -35.867 -54.652 1.00 65.14 O ATOM 1379 CB PRO B 524 46.493 -34.499 -57.567 1.00 71.15 C ATOM 1380 CG PRO B 524 45.093 -34.275 -57.112 1.00 14.31 C ATOM 1381 CD PRO B 524 44.429 -35.623 -57.132 1.00 21.34 C ATOM 0 HA PRO B 524 47.533 -36.444 -57.699 1.00 21.31 H new ATOM 0 HB2 PRO B 524 47.166 -33.742 -57.165 1.00 71.15 H new ATOM 0 HB3 PRO B 524 46.569 -34.448 -58.653 1.00 71.15 H new ATOM 0 HG2 PRO B 524 45.073 -33.845 -56.111 1.00 14.31 H new ATOM 0 HG3 PRO B 524 44.576 -33.576 -57.770 1.00 14.31 H new ATOM 0 HD2 PRO B 524 43.683 -35.715 -56.343 1.00 21.34 H new ATOM 0 HD3 PRO B 524 43.917 -35.805 -58.077 1.00 21.34 H new ATOM 1389 N ASP B 525 48.893 -35.631 -55.766 1.00 31.30 N ATOM 1390 CA ASP B 525 49.701 -35.522 -54.557 1.00 51.41 C ATOM 1391 C ASP B 525 50.365 -34.151 -54.470 1.00 61.44 C ATOM 1392 O ASP B 525 51.018 -33.706 -55.413 1.00 70.22 O ATOM 1393 CB ASP B 525 50.765 -36.620 -54.528 1.00 53.22 C ATOM 1394 CG ASP B 525 50.208 -37.953 -54.066 1.00 74.23 C ATOM 1395 OD1 ASP B 525 49.629 -38.004 -52.961 1.00 15.03 O ATOM 1396 OD2 ASP B 525 50.350 -38.945 -54.811 1.00 4.21 O1- ATOM 0 H ASP B 525 49.424 -35.571 -56.635 1.00 31.30 H new ATOM 0 HA ASP B 525 49.042 -35.643 -53.697 1.00 51.41 H new ATOM 0 HB2 ASP B 525 51.193 -36.734 -55.524 1.00 53.22 H new ATOM 0 HB3 ASP B 525 51.576 -36.319 -53.865 1.00 53.22 H new ATOM 1401 N ALA B 526 50.191 -33.486 -53.332 1.00 64.40 N ATOM 1402 CA ALA B 526 50.774 -32.167 -53.122 1.00 74.21 C ATOM 1403 C ALA B 526 50.486 -31.658 -51.714 1.00 60.43 C ATOM 1404 O ALA B 526 49.863 -32.350 -50.909 1.00 3.51 O ATOM 1405 CB ALA B 526 50.247 -31.185 -54.158 1.00 22.02 C ATOM 0 H ALA B 526 49.651 -33.839 -52.542 1.00 64.40 H new ATOM 0 HA ALA B 526 51.855 -32.253 -53.236 1.00 74.21 H new ATOM 0 HB1 ALA B 526 50.691 -30.204 -53.989 1.00 22.02 H new ATOM 0 HB2 ALA B 526 50.509 -31.534 -55.157 1.00 22.02 H new ATOM 0 HB3 ALA B 526 49.163 -31.112 -54.072 1.00 22.02 H new ATOM 1411 N SER B 527 50.944 -30.445 -51.422 1.00 22.23 N ATOM 1412 CA SER B 527 50.740 -29.845 -50.109 1.00 10.42 C ATOM 1413 C SER B 527 49.264 -29.873 -49.723 1.00 55.23 C ATOM 1414 O SER B 527 48.387 -29.812 -50.583 1.00 74.31 O ATOM 1415 CB SER B 527 51.254 -28.404 -50.098 1.00 54.03 C ATOM 1416 OG SER B 527 51.178 -27.825 -51.388 1.00 33.11 O ATOM 0 H SER B 527 51.459 -29.858 -52.078 1.00 22.23 H new ATOM 0 HA SER B 527 51.300 -30.429 -49.379 1.00 10.42 H new ATOM 0 HB2 SER B 527 50.669 -27.811 -49.395 1.00 54.03 H new ATOM 0 HB3 SER B 527 52.286 -28.386 -49.748 1.00 54.03 H new ATOM 0 HG SER B 527 51.511 -26.904 -51.353 1.00 33.11 H new ATOM 1422 N GLU B 528 49.001 -29.965 -48.424 1.00 34.44 N ATOM 1423 CA GLU B 528 47.631 -30.003 -47.924 1.00 70.03 C ATOM 1424 C GLU B 528 47.299 -28.729 -47.151 1.00 45.40 C ATOM 1425 O GLU B 528 46.478 -27.923 -47.586 1.00 23.21 O ATOM 1426 CB GLU B 528 47.425 -31.224 -47.026 1.00 24.51 C ATOM 1427 CG GLU B 528 46.073 -31.251 -46.334 1.00 63.11 C ATOM 1428 CD GLU B 528 45.609 -32.658 -46.014 1.00 25.14 C ATOM 1429 OE1 GLU B 528 45.631 -33.034 -44.824 1.00 15.45 O ATOM 1430 OE2 GLU B 528 45.223 -33.384 -46.955 1.00 52.05 O1- ATOM 0 H GLU B 528 49.717 -30.015 -47.699 1.00 34.44 H new ATOM 0 HA GLU B 528 46.961 -30.074 -48.781 1.00 70.03 H new ATOM 0 HB2 GLU B 528 47.535 -32.128 -47.626 1.00 24.51 H new ATOM 0 HB3 GLU B 528 48.211 -31.245 -46.271 1.00 24.51 H new ATOM 0 HG2 GLU B 528 46.130 -30.673 -45.412 1.00 63.11 H new ATOM 0 HG3 GLU B 528 45.334 -30.765 -46.970 1.00 63.11 H new ATOM 1437 N SER B 529 47.944 -28.556 -46.002 1.00 24.10 N ATOM 1438 CA SER B 529 47.716 -27.384 -45.165 1.00 74.23 C ATOM 1439 C SER B 529 49.037 -26.797 -44.679 1.00 3.40 C ATOM 1440 O SER B 529 49.233 -26.587 -43.482 1.00 61.24 O ATOM 1441 CB SER B 529 46.835 -27.749 -43.968 1.00 63.34 C ATOM 1442 OG SER B 529 46.614 -26.624 -43.136 1.00 34.34 O ATOM 0 H SER B 529 48.629 -29.213 -45.629 1.00 24.10 H new ATOM 0 HA SER B 529 47.205 -26.633 -45.767 1.00 74.23 H new ATOM 0 HB2 SER B 529 45.880 -28.138 -44.321 1.00 63.34 H new ATOM 0 HB3 SER B 529 47.309 -28.544 -43.392 1.00 63.34 H new ATOM 0 HG SER B 529 47.475 -26.252 -42.853 1.00 34.34 H new ATOM 1448 N VAL B 530 49.941 -26.534 -45.617 1.00 34.03 N ATOM 1449 CA VAL B 530 51.245 -25.970 -45.286 1.00 72.15 C ATOM 1450 C VAL B 530 51.317 -24.495 -45.661 1.00 13.35 C ATOM 1451 O VAL B 530 51.028 -24.118 -46.796 1.00 62.34 O ATOM 1452 CB VAL B 530 52.381 -26.727 -46.000 1.00 51.23 C ATOM 1453 CG1 VAL B 530 53.736 -26.202 -45.551 1.00 75.24 C ATOM 1454 CG2 VAL B 530 52.268 -28.223 -45.745 1.00 2.14 C ATOM 0 H VAL B 530 49.795 -26.702 -46.612 1.00 34.03 H new ATOM 0 HA VAL B 530 51.371 -26.074 -44.208 1.00 72.15 H new ATOM 0 HB VAL B 530 52.289 -26.557 -47.073 1.00 51.23 H new ATOM 0 HG11 VAL B 530 54.527 -26.748 -46.066 1.00 75.24 H new ATOM 0 HG12 VAL B 530 53.813 -25.141 -45.790 1.00 75.24 H new ATOM 0 HG13 VAL B 530 53.841 -26.340 -44.475 1.00 75.24 H new ATOM 0 HG21 VAL B 530 53.079 -28.742 -46.257 1.00 2.14 H new ATOM 0 HG22 VAL B 530 52.333 -28.416 -44.674 1.00 2.14 H new ATOM 0 HG23 VAL B 530 51.311 -28.585 -46.121 1.00 2.14 H new ATOM 1464 N ASN B 531 51.704 -23.663 -44.700 1.00 50.32 N ATOM 1465 CA ASN B 531 51.814 -22.228 -44.929 1.00 54.32 C ATOM 1466 C ASN B 531 52.295 -21.511 -43.671 1.00 34.52 C ATOM 1467 O ASN B 531 52.612 -22.146 -42.665 1.00 34.23 O ATOM 1468 CB ASN B 531 50.465 -21.656 -45.371 1.00 1.55 C ATOM 1469 CG ASN B 531 50.598 -20.698 -46.539 1.00 54.25 C ATOM 1470 OD1 ASN B 531 50.132 -19.560 -46.480 1.00 63.14 O ATOM 1471 ND2 ASN B 531 51.237 -21.156 -47.610 1.00 21.12 N ATOM 0 H ASN B 531 51.947 -23.959 -43.754 1.00 50.32 H new ATOM 0 HA ASN B 531 52.547 -22.067 -45.720 1.00 54.32 H new ATOM 0 HB2 ASN B 531 49.800 -22.474 -45.649 1.00 1.55 H new ATOM 0 HB3 ASN B 531 50.000 -21.139 -44.532 1.00 1.55 H new ATOM 0 HD21 ASN B 531 51.357 -20.557 -48.427 1.00 21.12 H new ATOM 0 HD22 ASN B 531 51.607 -22.106 -47.615 1.00 21.12 H new ATOM 1478 N ASN B 532 52.345 -20.184 -43.735 1.00 22.22 N ATOM 1479 CA ASN B 532 52.787 -19.380 -42.600 1.00 1.42 C ATOM 1480 C ASN B 532 52.190 -17.978 -42.662 1.00 44.13 C ATOM 1481 O ASN B 532 51.962 -17.437 -43.744 1.00 32.50 O ATOM 1482 CB ASN B 532 54.315 -19.296 -42.573 1.00 52.44 C ATOM 1483 CG ASN B 532 54.966 -20.654 -42.392 1.00 72.53 C ATOM 1484 OD1 ASN B 532 54.797 -21.303 -41.360 1.00 72.51 O ATOM 1485 ND2 ASN B 532 55.715 -21.088 -43.398 1.00 42.51 N ATOM 0 H ASN B 532 52.085 -19.643 -44.560 1.00 22.22 H new ATOM 0 HA ASN B 532 52.440 -19.863 -41.686 1.00 1.42 H new ATOM 0 HB2 ASN B 532 54.668 -18.848 -43.502 1.00 52.44 H new ATOM 0 HB3 ASN B 532 54.626 -18.636 -41.763 1.00 52.44 H new ATOM 0 HD21 ASN B 532 56.179 -21.994 -43.334 1.00 42.51 H new ATOM 0 HD22 ASN B 532 55.827 -20.515 -44.235 1.00 42.51 H new ATOM 1492 N ILE B 533 51.941 -17.396 -41.494 1.00 4.31 N ATOM 1493 CA ILE B 533 51.372 -16.055 -41.416 1.00 60.32 C ATOM 1494 C ILE B 533 52.287 -15.115 -40.640 1.00 54.13 C ATOM 1495 O ILE B 533 52.600 -15.355 -39.473 1.00 12.31 O ATOM 1496 CB ILE B 533 49.985 -16.071 -40.745 1.00 51.21 C ATOM 1497 CG1 ILE B 533 50.031 -16.877 -39.446 1.00 70.53 C ATOM 1498 CG2 ILE B 533 48.945 -16.647 -41.695 1.00 41.24 C ATOM 1499 CD1 ILE B 533 48.672 -17.077 -38.811 1.00 11.24 C ATOM 0 H ILE B 533 52.124 -17.831 -40.590 1.00 4.31 H new ATOM 0 HA ILE B 533 51.268 -15.696 -42.440 1.00 60.32 H new ATOM 0 HB ILE B 533 49.702 -15.046 -40.504 1.00 51.21 H new ATOM 0 HG12 ILE B 533 50.476 -17.851 -39.648 1.00 70.53 H new ATOM 0 HG13 ILE B 533 50.684 -16.370 -38.736 1.00 70.53 H new ATOM 0 HG21 ILE B 533 47.970 -16.652 -41.207 1.00 41.24 H new ATOM 0 HG22 ILE B 533 48.897 -16.035 -42.596 1.00 41.24 H new ATOM 0 HG23 ILE B 533 49.222 -17.667 -41.963 1.00 41.24 H new ATOM 0 HD11 ILE B 533 48.780 -17.657 -37.894 1.00 11.24 H new ATOM 0 HD12 ILE B 533 48.233 -16.107 -38.577 1.00 11.24 H new ATOM 0 HD13 ILE B 533 48.022 -17.612 -39.503 1.00 11.24 H new ATOM 1511 N LEU B 534 52.714 -14.041 -41.295 1.00 4.44 N ATOM 1512 CA LEU B 534 53.593 -13.060 -40.667 1.00 61.11 C ATOM 1513 C LEU B 534 52.794 -12.076 -39.818 1.00 32.54 C ATOM 1514 O LEU B 534 51.637 -11.780 -40.117 1.00 62.31 O ATOM 1515 CB LEU B 534 54.389 -12.303 -41.731 1.00 2.04 C ATOM 1516 CG LEU B 534 53.658 -11.151 -42.422 1.00 60.34 C ATOM 1517 CD1 LEU B 534 53.923 -9.840 -41.699 1.00 34.13 C ATOM 1518 CD2 LEU B 534 54.078 -11.052 -43.882 1.00 61.30 C ATOM 0 H LEU B 534 52.466 -13.827 -42.261 1.00 4.44 H new ATOM 0 HA LEU B 534 54.285 -13.594 -40.016 1.00 61.11 H new ATOM 0 HB2 LEU B 534 55.293 -11.907 -41.267 1.00 2.04 H new ATOM 0 HB3 LEU B 534 54.707 -13.014 -42.493 1.00 2.04 H new ATOM 0 HG LEU B 534 52.587 -11.352 -42.385 1.00 60.34 H new ATOM 0 HD11 LEU B 534 53.395 -9.032 -42.205 1.00 34.13 H new ATOM 0 HD12 LEU B 534 53.572 -9.915 -40.670 1.00 34.13 H new ATOM 0 HD13 LEU B 534 54.993 -9.632 -41.703 1.00 34.13 H new ATOM 0 HD21 LEU B 534 53.548 -10.227 -44.358 1.00 61.30 H new ATOM 0 HD22 LEU B 534 55.152 -10.875 -43.940 1.00 61.30 H new ATOM 0 HD23 LEU B 534 53.835 -11.983 -44.394 1.00 61.30 H new ATOM 1530 N LYS B 535 53.419 -11.573 -38.759 1.00 14.02 N ATOM 1531 CA LYS B 535 52.768 -10.620 -37.868 1.00 64.31 C ATOM 1532 C LYS B 535 53.016 -9.187 -38.329 1.00 72.41 C ATOM 1533 O LYS B 535 54.072 -8.878 -38.878 1.00 14.31 O ATOM 1534 CB LYS B 535 53.276 -10.801 -36.436 1.00 54.24 C ATOM 1535 CG LYS B 535 54.761 -10.524 -36.277 1.00 50.42 C ATOM 1536 CD LYS B 535 55.561 -11.811 -36.170 1.00 13.13 C ATOM 1537 CE LYS B 535 55.643 -12.298 -34.732 1.00 52.33 C ATOM 1538 NZ LYS B 535 56.951 -12.948 -34.440 1.00 62.51 N1+ ATOM 0 H LYS B 535 54.376 -11.810 -38.497 1.00 14.02 H new ATOM 0 HA LYS B 535 51.695 -10.811 -37.894 1.00 64.31 H new ATOM 0 HB2 LYS B 535 52.719 -10.137 -35.775 1.00 54.24 H new ATOM 0 HB3 LYS B 535 53.069 -11.821 -36.112 1.00 54.24 H new ATOM 0 HG2 LYS B 535 55.117 -9.943 -37.128 1.00 50.42 H new ATOM 0 HG3 LYS B 535 54.925 -9.917 -35.386 1.00 50.42 H new ATOM 0 HD2 LYS B 535 55.100 -12.580 -36.790 1.00 13.13 H new ATOM 0 HD3 LYS B 535 56.567 -11.649 -36.558 1.00 13.13 H new ATOM 0 HE2 LYS B 535 55.496 -11.457 -34.055 1.00 52.33 H new ATOM 0 HE3 LYS B 535 54.836 -13.005 -34.541 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 56.967 -13.266 -33.450 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 57.080 -13.766 -35.069 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 57.720 -12.266 -34.597 1.00 62.51 H new ATOM 1552 N GLN B 536 52.035 -8.320 -38.101 1.00 24.12 N ATOM 1553 CA GLN B 536 52.149 -6.920 -38.494 1.00 22.34 C ATOM 1554 C GLN B 536 51.625 -6.002 -37.394 1.00 62.32 C ATOM 1555 O GLN B 536 51.348 -6.447 -36.279 1.00 50.41 O ATOM 1556 CB GLN B 536 51.381 -6.669 -39.793 1.00 51.31 C ATOM 1557 CG GLN B 536 51.705 -7.666 -40.893 1.00 35.41 C ATOM 1558 CD GLN B 536 50.862 -7.457 -42.136 1.00 30.51 C ATOM 1559 OE1 GLN B 536 50.900 -6.394 -42.755 1.00 45.21 O ATOM 1560 NE2 GLN B 536 50.095 -8.475 -42.509 1.00 61.41 N ATOM 0 H GLN B 536 51.154 -8.561 -37.647 1.00 24.12 H new ATOM 0 HA GLN B 536 53.204 -6.698 -38.655 1.00 22.34 H new ATOM 0 HB2 GLN B 536 50.311 -6.704 -39.586 1.00 51.31 H new ATOM 0 HB3 GLN B 536 51.604 -5.663 -40.149 1.00 51.31 H new ATOM 0 HG2 GLN B 536 52.760 -7.582 -41.155 1.00 35.41 H new ATOM 0 HG3 GLN B 536 51.549 -8.678 -40.519 1.00 35.41 H new ATOM 0 HE21 GLN B 536 50.094 -9.339 -41.966 1.00 61.41 H new ATOM 0 HE22 GLN B 536 49.507 -8.393 -43.338 1.00 61.41 H new ATOM 1569 N SER B 537 51.489 -4.719 -37.714 1.00 14.31 N ATOM 1570 CA SER B 537 51.001 -3.738 -36.752 1.00 14.23 C ATOM 1571 C SER B 537 49.975 -2.811 -37.395 1.00 74.01 C ATOM 1572 O SER B 537 49.544 -3.031 -38.526 1.00 11.11 O ATOM 1573 CB SER B 537 52.167 -2.918 -36.194 1.00 13.52 C ATOM 1574 OG SER B 537 53.324 -3.719 -36.035 1.00 64.54 O ATOM 0 H SER B 537 51.710 -4.335 -38.633 1.00 14.31 H new ATOM 0 HA SER B 537 50.518 -4.274 -35.935 1.00 14.23 H new ATOM 0 HB2 SER B 537 52.385 -2.087 -36.865 1.00 13.52 H new ATOM 0 HB3 SER B 537 51.885 -2.486 -35.234 1.00 13.52 H new ATOM 0 HG SER B 537 54.055 -3.171 -35.679 1.00 64.54 H new ATOM 1580 N GLY B 538 49.587 -1.770 -36.663 1.00 40.34 N ATOM 1581 CA GLY B 538 48.613 -0.825 -37.177 1.00 13.30 C ATOM 1582 C GLY B 538 48.707 0.529 -36.501 1.00 44.23 C ATOM 1583 O GLY B 538 49.526 0.726 -35.603 1.00 4.52 O ATOM 0 H GLY B 538 49.930 -1.565 -35.724 1.00 40.34 H new ATOM 0 HA2 GLY B 538 48.761 -0.703 -38.250 1.00 13.30 H new ATOM 0 HA3 GLY B 538 47.610 -1.229 -37.037 1.00 13.30 H new ATOM 1587 N ALA B 539 47.868 1.465 -36.933 1.00 15.34 N ATOM 1588 CA ALA B 539 47.859 2.806 -36.364 1.00 61.14 C ATOM 1589 C ALA B 539 46.639 3.592 -36.829 1.00 52.01 C ATOM 1590 O ALA B 539 45.901 3.149 -37.709 1.00 53.15 O ATOM 1591 CB ALA B 539 49.138 3.544 -36.733 1.00 63.32 C ATOM 0 H ALA B 539 47.185 1.318 -37.676 1.00 15.34 H new ATOM 0 HA ALA B 539 47.806 2.713 -35.279 1.00 61.14 H new ATOM 0 HB1 ALA B 539 49.118 4.545 -36.301 1.00 63.32 H new ATOM 0 HB2 ALA B 539 49.998 2.998 -36.345 1.00 63.32 H new ATOM 0 HB3 ALA B 539 49.215 3.618 -37.818 1.00 63.32 H new ATOM 1597 N TRP B 540 46.432 4.761 -36.233 1.00 64.23 N ATOM 1598 CA TRP B 540 45.299 5.610 -36.587 1.00 74.22 C ATOM 1599 C TRP B 540 45.672 7.085 -36.489 1.00 14.34 C ATOM 1600 O TRP B 540 46.641 7.446 -35.821 1.00 54.13 O ATOM 1601 CB TRP B 540 44.108 5.310 -35.676 1.00 74.04 C ATOM 1602 CG TRP B 540 43.858 3.844 -35.486 1.00 15.41 C ATOM 1603 CD1 TRP B 540 44.302 3.064 -34.456 1.00 11.20 C ATOM 1604 CD2 TRP B 540 43.110 2.983 -36.351 1.00 44.12 C ATOM 1605 NE1 TRP B 540 43.874 1.770 -34.628 1.00 30.21 N ATOM 1606 CE2 TRP B 540 43.141 1.694 -35.783 1.00 22.41 C ATOM 1607 CE3 TRP B 540 42.416 3.174 -37.548 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 42.504 0.605 -36.373 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 41.786 2.093 -38.133 1.00 24.52 C ATOM 1610 CH2 TRP B 540 41.832 0.822 -37.544 1.00 22.11 C ATOM 0 H TRP B 540 47.033 5.143 -35.503 1.00 64.23 H new ATOM 0 HA TRP B 540 45.022 5.393 -37.619 1.00 74.22 H new ATOM 0 HB2 TRP B 540 44.279 5.771 -34.703 1.00 74.04 H new ATOM 0 HB3 TRP B 540 43.214 5.772 -36.095 1.00 74.04 H new ATOM 0 HD1 TRP B 540 44.901 3.413 -33.628 1.00 11.20 H new ATOM 0 HE1 TRP B 540 44.070 0.992 -33.998 1.00 30.21 H new ATOM 0 HE3 TRP B 540 42.373 4.150 -38.008 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 42.540 -0.376 -35.922 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 41.249 2.229 -39.060 1.00 24.52 H new ATOM 0 HH2 TRP B 540 41.327 -0.003 -38.025 1.00 22.11 H new ATOM 1621 N SER B 541 44.897 7.932 -37.157 1.00 34.54 N ATOM 1622 CA SER B 541 45.149 9.369 -37.146 1.00 2.20 C ATOM 1623 C SER B 541 43.902 10.142 -37.563 1.00 32.22 C ATOM 1624 O SER B 541 42.964 9.574 -38.124 1.00 42.44 O ATOM 1625 CB SER B 541 46.311 9.710 -38.082 1.00 3.02 C ATOM 1626 OG SER B 541 46.467 11.113 -38.210 1.00 54.44 O ATOM 0 H SER B 541 44.090 7.649 -37.713 1.00 34.54 H new ATOM 0 HA SER B 541 45.412 9.660 -36.129 1.00 2.20 H new ATOM 0 HB2 SER B 541 47.232 9.272 -37.698 1.00 3.02 H new ATOM 0 HB3 SER B 541 46.133 9.270 -39.063 1.00 3.02 H new ATOM 0 HG SER B 541 47.216 11.305 -38.811 1.00 54.44 H new ATOM 1632 N GLY B 542 43.898 11.442 -37.286 1.00 4.53 N ATOM 1633 CA GLY B 542 42.762 12.273 -37.638 1.00 64.24 C ATOM 1634 C GLY B 542 41.458 11.741 -37.077 1.00 5.44 C ATOM 1635 O GLY B 542 40.403 11.887 -37.694 1.00 43.23 O ATOM 0 H GLY B 542 44.662 11.935 -36.824 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.927 13.285 -37.268 1.00 64.24 H new ATOM 0 HA3 GLY B 542 42.687 12.339 -38.723 1.00 64.24 H new ATOM 1639 N ASP B 543 41.531 11.120 -35.905 1.00 11.14 N ATOM 1640 CA ASP B 543 40.346 10.564 -35.261 1.00 52.52 C ATOM 1641 C ASP B 543 39.689 11.594 -34.348 1.00 13.13 C ATOM 1642 O ASP B 543 38.466 11.617 -34.200 1.00 20.02 O ATOM 1643 CB ASP B 543 40.717 9.315 -34.457 1.00 25.25 C ATOM 1644 CG ASP B 543 41.738 8.451 -35.168 1.00 14.33 C ATOM 1645 OD1 ASP B 543 41.333 7.639 -36.028 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.942 8.584 -34.867 1.00 51.20 O1- ATOM 0 H ASP B 543 42.397 10.989 -35.382 1.00 11.14 H new ATOM 0 HA ASP B 543 39.634 10.289 -36.039 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.112 9.615 -33.487 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.818 8.728 -34.267 1.00 25.25 H new ATOM 1651 N ASP B 544 40.506 12.446 -33.740 1.00 15.42 N ATOM 1652 CA ASP B 544 40.004 13.479 -32.842 1.00 51.14 C ATOM 1653 C ASP B 544 38.845 14.237 -33.481 1.00 4.23 C ATOM 1654 O ASP B 544 37.934 14.697 -32.792 1.00 2.42 O ATOM 1655 CB ASP B 544 41.125 14.453 -32.474 1.00 73.54 C ATOM 1656 CG ASP B 544 40.908 15.097 -31.118 1.00 21.23 C ATOM 1657 OD1 ASP B 544 40.900 16.345 -31.049 1.00 50.03 O ATOM 1658 OD2 ASP B 544 40.747 14.355 -30.127 1.00 63.43 O1- ATOM 0 H ASP B 544 41.520 12.442 -33.853 1.00 15.42 H new ATOM 0 HA ASP B 544 39.642 12.994 -31.935 1.00 51.14 H new ATOM 0 HB2 ASP B 544 42.078 13.923 -32.474 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.193 15.230 -33.236 1.00 73.54 H new ATOM 1663 N LYS B 545 38.886 14.366 -34.803 1.00 75.25 N ATOM 1664 CA LYS B 545 37.839 15.068 -35.537 1.00 24.24 C ATOM 1665 C LYS B 545 36.458 14.582 -35.113 1.00 33.21 C ATOM 1666 O LYS B 545 35.598 15.378 -34.732 1.00 50.14 O ATOM 1667 CB LYS B 545 38.022 14.868 -37.043 1.00 64.44 C ATOM 1668 CG LYS B 545 39.248 15.567 -37.606 1.00 54.23 C ATOM 1669 CD LYS B 545 39.775 14.859 -38.842 1.00 42.41 C ATOM 1670 CE LYS B 545 41.276 15.051 -38.998 1.00 62.41 C ATOM 1671 NZ LYS B 545 41.816 14.288 -40.156 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.633 13.993 -35.388 1.00 75.25 H new ATOM 0 HA LYS B 545 37.917 16.130 -35.306 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.094 13.801 -37.253 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.135 15.235 -37.560 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.998 16.598 -37.855 1.00 54.23 H new ATOM 0 HG3 LYS B 545 40.028 15.603 -36.846 1.00 54.23 H new ATOM 0 HD2 LYS B 545 39.548 13.795 -38.777 1.00 42.41 H new ATOM 0 HD3 LYS B 545 39.265 15.240 -39.726 1.00 42.41 H new ATOM 0 HE2 LYS B 545 41.495 16.111 -39.128 1.00 62.41 H new ATOM 0 HE3 LYS B 545 41.780 14.731 -38.086 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.820 14.073 -39.992 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 41.285 13.400 -40.265 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 41.720 14.857 -41.021 1.00 40.23 H new ATOM 1685 N LEU B 546 36.250 13.271 -35.180 1.00 71.42 N ATOM 1686 CA LEU B 546 34.972 12.678 -34.801 1.00 33.24 C ATOM 1687 C LEU B 546 34.968 12.288 -33.327 1.00 5.43 C ATOM 1688 O LEU B 546 33.924 12.294 -32.676 1.00 43.24 O ATOM 1689 CB LEU B 546 34.681 11.450 -35.665 1.00 40.40 C ATOM 1690 CG LEU B 546 35.639 10.271 -35.500 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.177 9.362 -34.372 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.755 9.491 -36.802 1.00 60.44 C ATOM 0 H LEU B 546 36.950 12.599 -35.493 1.00 71.42 H new ATOM 0 HA LEU B 546 34.192 13.422 -34.963 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.671 11.105 -35.443 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.690 11.756 -36.711 1.00 40.40 H new ATOM 0 HG LEU B 546 36.624 10.661 -35.245 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.871 8.528 -34.269 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.147 9.926 -33.440 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.181 8.980 -34.597 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.441 8.655 -36.666 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.774 9.112 -37.088 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.133 10.147 -37.586 1.00 60.44 H new ATOM 1704 N GLN B 547 36.144 11.952 -32.805 1.00 42.22 N ATOM 1705 CA GLN B 547 36.276 11.562 -31.407 1.00 10.14 C ATOM 1706 C GLN B 547 35.605 12.580 -30.492 1.00 64.45 C ATOM 1707 O GLN B 547 34.865 12.217 -29.578 1.00 15.25 O ATOM 1708 CB GLN B 547 37.752 11.416 -31.033 1.00 1.31 C ATOM 1709 CG GLN B 547 38.051 10.176 -30.208 1.00 14.25 C ATOM 1710 CD GLN B 547 39.390 10.253 -29.501 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.443 10.110 -30.125 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.358 10.480 -28.194 1.00 30.11 N ATOM 0 H GLN B 547 37.019 11.942 -33.330 1.00 42.22 H new ATOM 0 HA GLN B 547 35.779 10.601 -31.276 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.348 11.388 -31.945 1.00 1.31 H new ATOM 0 HB3 GLN B 547 38.066 12.298 -30.475 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.262 10.037 -29.469 1.00 14.25 H new ATOM 0 HG3 GLN B 547 38.037 9.301 -30.857 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.463 10.592 -27.718 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.228 10.542 -27.666 1.00 30.11 H new ATOM 1721 N LYS B 548 35.869 13.858 -30.743 1.00 13.42 N ATOM 1722 CA LYS B 548 35.291 14.931 -29.943 1.00 2.43 C ATOM 1723 C LYS B 548 33.777 14.771 -29.830 1.00 11.31 C ATOM 1724 O LYS B 548 33.219 14.819 -28.734 1.00 25.34 O ATOM 1725 CB LYS B 548 35.626 16.291 -30.558 1.00 44.51 C ATOM 1726 CG LYS B 548 35.296 16.387 -32.038 1.00 74.23 C ATOM 1727 CD LYS B 548 36.193 17.390 -32.746 1.00 50.13 C ATOM 1728 CE LYS B 548 36.057 18.780 -32.145 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.939 19.768 -32.828 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.480 14.176 -31.495 1.00 13.42 H new ATOM 0 HA LYS B 548 35.720 14.876 -28.943 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.080 17.067 -30.022 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.688 16.492 -30.417 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.408 15.407 -32.501 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.253 16.680 -32.161 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.231 17.063 -32.678 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.938 17.424 -33.805 1.00 50.13 H new ATOM 0 HE2 LYS B 548 35.020 19.107 -32.218 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.306 18.743 -31.084 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.817 20.703 -32.390 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.931 19.469 -32.737 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.685 19.822 -33.835 1.00 32.25 H new ATOM 1743 N TRP B 549 33.121 14.580 -30.969 1.00 35.00 N ATOM 1744 CA TRP B 549 31.673 14.410 -30.996 1.00 23.03 C ATOM 1745 C TRP B 549 31.252 13.187 -30.191 1.00 60.44 C ATOM 1746 O TRP B 549 30.531 13.302 -29.200 1.00 13.42 O ATOM 1747 CB TRP B 549 31.181 14.281 -32.439 1.00 1.00 C ATOM 1748 CG TRP B 549 31.514 15.470 -33.289 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.672 15.686 -33.979 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.679 16.607 -33.536 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.607 16.889 -34.641 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.395 17.472 -34.386 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.395 16.976 -33.125 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.869 18.683 -34.829 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.875 18.179 -33.564 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.611 19.020 -34.410 1.00 4.25 C ATOM 0 H TRP B 549 33.568 14.539 -31.885 1.00 35.00 H new ATOM 0 HA TRP B 549 31.221 15.292 -30.542 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.620 13.389 -32.886 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.101 14.137 -32.435 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.515 15.011 -34.001 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.343 17.283 -35.227 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.819 16.333 -32.476 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.434 19.333 -35.480 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.885 18.476 -33.250 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.176 19.953 -34.738 1.00 4.25 H new ATOM 1767 N VAL B 550 31.707 12.014 -30.622 1.00 65.43 N ATOM 1768 CA VAL B 550 31.378 10.769 -29.939 1.00 41.32 C ATOM 1769 C VAL B 550 31.670 10.867 -28.446 1.00 70.33 C ATOM 1770 O VAL B 550 30.802 10.600 -27.615 1.00 22.45 O ATOM 1771 CB VAL B 550 32.163 9.582 -30.527 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.787 8.290 -29.820 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.918 9.471 -32.025 1.00 22.45 C ATOM 0 H VAL B 550 32.304 11.901 -31.441 1.00 65.43 H new ATOM 0 HA VAL B 550 30.312 10.599 -30.087 1.00 41.32 H new ATOM 0 HB VAL B 550 33.227 9.758 -30.368 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.352 7.463 -30.249 1.00 20.12 H new ATOM 0 HG12 VAL B 550 32.019 8.375 -28.758 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.720 8.104 -29.945 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.480 8.627 -32.424 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.855 9.318 -32.209 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.243 10.388 -32.516 1.00 22.45 H new ATOM 1783 N ARG B 551 32.898 11.253 -28.113 1.00 22.31 N ATOM 1784 CA ARG B 551 33.304 11.385 -26.718 1.00 13.54 C ATOM 1785 C ARG B 551 32.261 12.158 -25.919 1.00 30.45 C ATOM 1786 O ARG B 551 31.876 11.751 -24.823 1.00 43.25 O ATOM 1787 CB ARG B 551 34.659 12.091 -26.626 1.00 20.34 C ATOM 1788 CG ARG B 551 35.379 11.855 -25.309 1.00 75.53 C ATOM 1789 CD ARG B 551 35.883 13.158 -24.709 1.00 51.12 C ATOM 1790 NE ARG B 551 37.098 12.963 -23.921 1.00 55.05 N ATOM 1791 CZ ARG B 551 37.947 13.942 -23.627 1.00 23.44 C ATOM 1792 NH1 ARG B 551 37.716 15.175 -24.053 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 39.032 13.686 -22.906 1.00 20.42 N ATOM 0 H ARG B 551 33.628 11.479 -28.789 1.00 22.31 H new ATOM 0 HA ARG B 551 33.392 10.385 -26.294 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.294 11.750 -27.444 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.511 13.162 -26.763 1.00 20.34 H new ATOM 0 HG2 ARG B 551 34.704 11.367 -24.606 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.218 11.178 -25.468 1.00 75.53 H new ATOM 0 HD2 ARG B 551 36.080 13.873 -25.508 1.00 51.12 H new ATOM 0 HD3 ARG B 551 35.107 13.591 -24.078 1.00 51.12 H new ATOM 0 HE ARG B 551 37.306 12.025 -23.578 1.00 55.05 H new ATOM 0 HH11 ARG B 551 36.884 15.375 -24.609 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.370 15.924 -23.825 1.00 74.33 H new ATOM 0 HH21 ARG B 551 39.214 12.738 -22.578 1.00 20.42 H new ATOM 0 HH22 ARG B 551 39.684 14.438 -22.680 1.00 20.42 H new ATOM 1807 N VAL B 552 31.805 13.277 -26.475 1.00 73.21 N ATOM 1808 CA VAL B 552 30.805 14.107 -25.814 1.00 53.54 C ATOM 1809 C VAL B 552 29.467 13.383 -25.718 1.00 31.11 C ATOM 1810 O VAL B 552 28.721 13.562 -24.754 1.00 31.43 O ATOM 1811 CB VAL B 552 30.603 15.441 -26.557 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.506 16.260 -25.895 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.907 16.224 -26.611 1.00 14.55 C ATOM 0 H VAL B 552 32.113 13.629 -27.382 1.00 73.21 H new ATOM 0 HA VAL B 552 31.177 14.312 -24.810 1.00 53.54 H new ATOM 0 HB VAL B 552 30.294 15.224 -27.580 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.378 17.199 -26.434 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.571 15.700 -25.915 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.782 16.469 -24.861 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.746 17.164 -27.139 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.249 16.432 -25.597 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.662 15.638 -27.135 1.00 14.55 H new ATOM 1823 N TYR B 553 29.169 12.566 -26.722 1.00 3.04 N ATOM 1824 CA TYR B 553 27.919 11.816 -26.752 1.00 51.43 C ATOM 1825 C TYR B 553 27.822 10.872 -25.558 1.00 23.41 C ATOM 1826 O TYR B 553 26.775 10.769 -24.915 1.00 65.22 O ATOM 1827 CB TYR B 553 27.808 11.023 -28.055 1.00 50.50 C ATOM 1828 CG TYR B 553 27.462 9.565 -27.848 1.00 4.03 C ATOM 1829 CD1 TYR B 553 26.167 9.177 -27.524 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.430 8.576 -27.975 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.847 7.846 -27.334 1.00 21.35 C ATOM 1832 CE2 TYR B 553 28.119 7.244 -27.788 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.827 6.883 -27.467 1.00 52.22 C ATOM 1834 OH TYR B 553 26.513 5.557 -27.278 1.00 2.33 O ATOM 0 H TYR B 553 29.776 12.406 -27.526 1.00 3.04 H new ATOM 0 HA TYR B 553 27.095 12.528 -26.697 1.00 51.43 H new ATOM 0 HB2 TYR B 553 27.048 11.482 -28.687 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.753 11.091 -28.594 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.398 9.928 -27.419 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.443 8.854 -28.224 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.836 7.561 -27.083 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.884 6.488 -27.893 1.00 34.42 H new ATOM 0 HH TYR B 553 27.315 5.009 -27.409 1.00 2.33 H new ATOM 1844 N LEU B 554 28.919 10.184 -25.265 1.00 55.44 N ATOM 1845 CA LEU B 554 28.960 9.246 -24.148 1.00 42.23 C ATOM 1846 C LEU B 554 29.347 9.957 -22.855 1.00 53.42 C ATOM 1847 O LEU B 554 29.103 9.451 -21.759 1.00 74.44 O ATOM 1848 CB LEU B 554 29.952 8.118 -24.438 1.00 44.44 C ATOM 1849 CG LEU B 554 31.354 8.551 -24.869 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.345 8.357 -23.733 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.794 7.777 -26.103 1.00 32.42 C ATOM 0 H LEU B 554 29.793 10.258 -25.785 1.00 55.44 H new ATOM 0 HA LEU B 554 27.963 8.822 -24.025 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.043 7.502 -23.543 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.533 7.485 -25.220 1.00 44.44 H new ATOM 0 HG LEU B 554 31.326 9.611 -25.121 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.337 8.670 -24.058 1.00 24.32 H new ATOM 0 HD12 LEU B 554 32.038 8.956 -22.876 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.372 7.305 -23.449 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.794 8.097 -26.396 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.806 6.710 -25.878 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.098 7.968 -26.920 1.00 32.42 H new ATOM 1863 N ASP B 555 29.948 11.135 -22.990 1.00 73.25 N ATOM 1864 CA ASP B 555 30.364 11.919 -21.833 1.00 31.31 C ATOM 1865 C ASP B 555 29.190 12.702 -21.256 1.00 23.23 C ATOM 1866 O ASP B 555 29.099 12.901 -20.044 1.00 34.14 O ATOM 1867 CB ASP B 555 31.494 12.876 -22.217 1.00 72.13 C ATOM 1868 CG ASP B 555 32.015 13.663 -21.031 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.453 13.032 -20.048 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.983 14.910 -21.087 1.00 21.01 O1- ATOM 0 H ASP B 555 30.158 11.568 -23.890 1.00 73.25 H new ATOM 0 HA ASP B 555 30.727 11.230 -21.070 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.312 12.308 -22.660 1.00 72.13 H new ATOM 0 HB3 ASP B 555 31.137 13.568 -22.980 1.00 72.13 H new ATOM 1875 N ARG B 556 28.296 13.149 -22.132 1.00 10.54 N ATOM 1876 CA ARG B 556 27.128 13.913 -21.710 1.00 54.44 C ATOM 1877 C ARG B 556 26.107 13.012 -21.024 1.00 72.41 C ATOM 1878 O ARG B 556 25.344 13.460 -20.169 1.00 3.24 O ATOM 1879 CB ARG B 556 26.486 14.608 -22.911 1.00 35.13 C ATOM 1880 CG ARG B 556 26.003 13.647 -23.985 1.00 22.30 C ATOM 1881 CD ARG B 556 24.498 13.447 -23.918 1.00 71.10 C ATOM 1882 NE ARG B 556 23.994 12.691 -25.061 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.883 11.367 -25.075 1.00 73.04 C ATOM 1884 NH1 ARG B 556 24.238 10.657 -24.012 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 23.416 10.751 -26.153 1.00 21.52 N ATOM 0 H ARG B 556 28.358 12.995 -23.138 1.00 10.54 H new ATOM 0 HA ARG B 556 27.458 14.668 -20.996 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.643 15.207 -22.566 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.208 15.297 -23.350 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.277 14.031 -24.968 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.504 12.686 -23.867 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.243 12.924 -22.997 1.00 71.10 H new ATOM 0 HD3 ARG B 556 24.005 14.418 -23.880 1.00 71.10 H new ATOM 0 HE ARG B 556 23.712 13.207 -25.894 1.00 44.32 H new ATOM 0 HH11 ARG B 556 24.597 11.127 -23.181 1.00 65.23 H new ATOM 0 HH12 ARG B 556 24.152 9.641 -24.025 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.142 11.294 -26.972 1.00 21.52 H new ATOM 0 HH22 ARG B 556 23.331 9.735 -26.163 1.00 21.52 H new ATOM 1899 N GLY B 557 26.098 11.738 -21.405 1.00 54.40 N ATOM 1900 CA GLY B 557 25.165 10.794 -20.817 1.00 51.20 C ATOM 1901 C GLY B 557 25.482 10.493 -19.366 1.00 73.35 C ATOM 1902 O GLY B 557 24.820 11.001 -18.461 1.00 64.24 O ATOM 0 H GLY B 557 26.720 11.343 -22.110 1.00 54.40 H new ATOM 0 HA2 GLY B 557 24.154 11.194 -20.889 1.00 51.20 H new ATOM 0 HA3 GLY B 557 25.182 9.867 -21.389 1.00 51.20 H new ATOM 1906 N GLN B 558 26.497 9.664 -19.143 1.00 30.44 N ATOM 1907 CA GLN B 558 26.898 9.295 -17.792 1.00 71.33 C ATOM 1908 C GLN B 558 28.409 9.414 -17.620 1.00 54.22 C ATOM 1909 O GLN B 558 28.899 10.354 -16.994 1.00 65.12 O ATOM 1910 CB GLN B 558 26.449 7.867 -17.475 1.00 32.20 C ATOM 1911 CG GLN B 558 26.266 7.000 -18.710 1.00 10.50 C ATOM 1912 CD GLN B 558 26.432 5.522 -18.414 1.00 44.43 C ATOM 1913 OE1 GLN B 558 27.197 4.826 -19.081 1.00 32.15 O ATOM 1914 NE2 GLN B 558 25.713 5.034 -17.410 1.00 2.10 N ATOM 0 H GLN B 558 27.056 9.236 -19.881 1.00 30.44 H new ATOM 0 HA GLN B 558 26.416 9.983 -17.098 1.00 71.33 H new ATOM 0 HB2 GLN B 558 27.184 7.401 -16.819 1.00 32.20 H new ATOM 0 HB3 GLN B 558 25.509 7.904 -16.924 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.275 7.174 -19.128 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.989 7.298 -19.469 1.00 10.50 H new ATOM 0 HE21 GLN B 558 25.091 5.647 -16.883 1.00 2.10 H new ATOM 0 HE22 GLN B 558 25.783 4.046 -17.166 1.00 2.10 H new ATOM 1923 N GLU B 559 29.141 8.456 -18.179 1.00 54.14 N ATOM 1924 CA GLU B 559 30.596 8.455 -18.087 1.00 64.14 C ATOM 1925 C GLU B 559 31.220 7.845 -19.339 1.00 45.44 C ATOM 1926 O GLU B 559 30.522 7.526 -20.301 1.00 54.24 O ATOM 1927 CB GLU B 559 31.050 7.678 -16.849 1.00 42.30 C ATOM 1928 CG GLU B 559 30.523 6.253 -16.797 1.00 15.30 C ATOM 1929 CD GLU B 559 30.274 5.775 -15.380 1.00 15.40 C ATOM 1930 OE1 GLU B 559 31.066 6.135 -14.484 1.00 24.20 O ATOM 1931 OE2 GLU B 559 29.287 5.041 -15.167 1.00 61.43 O1- ATOM 0 H GLU B 559 28.751 7.671 -18.700 1.00 54.14 H new ATOM 0 HA GLU B 559 30.930 9.489 -18.002 1.00 64.14 H new ATOM 0 HB2 GLU B 559 32.139 7.655 -16.825 1.00 42.30 H new ATOM 0 HB3 GLU B 559 30.722 8.210 -15.956 1.00 42.30 H new ATOM 0 HG2 GLU B 559 29.595 6.192 -17.366 1.00 15.30 H new ATOM 0 HG3 GLU B 559 31.238 5.587 -17.281 1.00 15.30 H new ATOM 1938 N ALA B 560 32.540 7.689 -19.319 1.00 3.04 N ATOM 1939 CA ALA B 560 33.258 7.117 -20.452 1.00 50.04 C ATOM 1940 C ALA B 560 32.826 5.677 -20.706 1.00 31.25 C ATOM 1941 O ALA B 560 32.196 5.048 -19.855 1.00 10.24 O ATOM 1942 CB ALA B 560 34.759 7.185 -20.213 1.00 41.05 C ATOM 0 H ALA B 560 33.133 7.950 -18.532 1.00 3.04 H new ATOM 0 HA ALA B 560 33.015 7.703 -21.338 1.00 50.04 H new ATOM 0 HB1 ALA B 560 35.283 6.755 -21.066 1.00 41.05 H new ATOM 0 HB2 ALA B 560 35.061 8.225 -20.088 1.00 41.05 H new ATOM 0 HB3 ALA B 560 35.010 6.624 -19.313 1.00 41.05 H new ATOM 1948 N ILE B 561 33.167 5.161 -21.883 1.00 73.03 N ATOM 1949 CA ILE B 561 32.813 3.796 -22.249 1.00 2.23 C ATOM 1950 C ILE B 561 33.806 3.221 -23.253 1.00 30.44 C ATOM 1951 O ILE B 561 34.148 3.868 -24.244 1.00 42.35 O ATOM 1952 CB ILE B 561 31.395 3.721 -22.845 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.207 4.806 -23.907 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.351 3.860 -21.746 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.002 4.583 -24.792 1.00 63.22 C ATOM 0 H ILE B 561 33.688 5.668 -22.598 1.00 73.03 H new ATOM 0 HA ILE B 561 32.844 3.206 -21.333 1.00 2.23 H new ATOM 0 HB ILE B 561 31.267 2.748 -23.320 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.111 5.773 -23.414 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.101 4.853 -24.529 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.354 3.805 -22.182 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.475 3.055 -21.022 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.475 4.820 -21.245 1.00 51.43 H new ATOM 0 HD11 ILE B 561 29.931 5.390 -25.521 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.105 3.631 -25.314 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.100 4.566 -24.181 1.00 63.22 H new ATOM 1967 N LYS B 562 34.265 2.002 -22.993 1.00 34.53 N ATOM 1968 CA LYS B 562 35.217 1.338 -23.875 1.00 5.33 C ATOM 1969 C LYS B 562 34.496 0.625 -25.015 1.00 3.44 C ATOM 1970 O LYS B 562 35.112 -0.098 -25.797 1.00 74.43 O ATOM 1971 CB LYS B 562 36.059 0.333 -23.086 1.00 55.54 C ATOM 1972 CG LYS B 562 37.215 0.968 -22.332 1.00 23.25 C ATOM 1973 CD LYS B 562 38.249 -0.066 -21.919 1.00 61.12 C ATOM 1974 CE LYS B 562 39.362 -0.183 -22.949 1.00 62.12 C ATOM 1975 NZ LYS B 562 40.273 0.995 -22.918 1.00 35.51 N1+ ATOM 0 H LYS B 562 33.993 1.453 -22.178 1.00 34.53 H new ATOM 0 HA LYS B 562 35.872 2.099 -24.300 1.00 5.33 H new ATOM 0 HB2 LYS B 562 35.417 -0.189 -22.377 1.00 55.54 H new ATOM 0 HB3 LYS B 562 36.452 -0.417 -23.772 1.00 55.54 H new ATOM 0 HG2 LYS B 562 37.687 1.725 -22.959 1.00 23.25 H new ATOM 0 HG3 LYS B 562 36.836 1.478 -21.446 1.00 23.25 H new ATOM 0 HD2 LYS B 562 38.673 0.208 -20.953 1.00 61.12 H new ATOM 0 HD3 LYS B 562 37.766 -1.035 -21.792 1.00 61.12 H new ATOM 0 HE2 LYS B 562 39.936 -1.091 -22.762 1.00 62.12 H new ATOM 0 HE3 LYS B 562 38.927 -0.280 -23.944 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 41.159 0.761 -23.409 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 39.816 1.800 -23.392 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 40.481 1.247 -21.931 1.00 35.51 H new TER 1989 LYS B 562