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 : no HD1:sc= -0.438 K(o=-5.9,f=-7.1) USER MOD Set 1.2: A 145 GLN : amide:sc= -5.47! C(o=-5.9!,f=-4.4!) USER MOD Set 2.1: A 76 ASN : amide:sc= -0.147 K(o=-0.4,f=-2.2) USER MOD Set 2.2: A 130 ASN : amide:sc= -0.254 X(o=-0.4,f=-0.27) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -5:sc= 1.05 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 82 SER OG : rot -11:sc= 0.903 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+ -171:sc= 0 (180deg=-0.0267) USER MOD Single : A 90 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.011) USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.344 USER MOD Single : A 92 LYS NZ :NH3+ -111:sc= -0.344 (180deg=-1.2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 97 THR OG1 : rot -81:sc= -1.62 USER MOD Single : A 100 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.13) USER MOD Single : A 102 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=-0.17) USER MOD Single : A 104 GLN : amide:sc= -0.643 X(o=-0.64,f=-0.22) 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 7:sc= 0.284 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 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 162:sc=0.000903 (180deg=0) 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+ 144:sc= 0.6 (180deg=-0.125) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.72) USER MOD Single : A 136 THR OG1 : rot 22:sc= -0.822 USER MOD Single : B 518 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=-0.00094) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 48:sc= 0.16 USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 531 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.3) USER MOD Single : B 532 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 537 SER OG : rot 180:sc= -0.22 USER MOD Single : B 541 SER OG : rot 47:sc= 0.935 USER MOD Single : B 545 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.295) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ -125:sc= 0.0586 (180deg=0) USER MOD Single : B 553 TYR OH : rot -52:sc= 0.0613 USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 3.240 25.008 -26.887 1.00 74.20 N ATOM 2 CA MET A 69 2.464 25.128 -25.658 1.00 31.11 C ATOM 3 C MET A 69 2.387 23.789 -24.932 1.00 50.54 C ATOM 4 O MET A 69 2.421 23.736 -23.702 1.00 3.54 O ATOM 5 CB MET A 69 1.054 25.635 -25.967 1.00 33.12 C ATOM 6 CG MET A 69 0.436 26.439 -24.834 1.00 34.21 C ATOM 7 SD MET A 69 -0.929 27.481 -25.385 1.00 30.11 S ATOM 8 CE MET A 69 -0.095 29.052 -25.589 1.00 32.55 C ATOM 0 HA MET A 69 2.966 25.846 -25.009 1.00 31.11 H new ATOM 0 HB2 MET A 69 1.087 26.253 -26.864 1.00 33.12 H new ATOM 0 HB3 MET A 69 0.411 24.783 -26.190 1.00 33.12 H new ATOM 0 HG2 MET A 69 0.079 25.757 -24.063 1.00 34.21 H new ATOM 0 HG3 MET A 69 1.203 27.064 -24.377 1.00 34.21 H new ATOM 0 HE1 MET A 69 -0.810 29.802 -25.928 1.00 32.55 H new ATOM 0 HE2 MET A 69 0.333 29.363 -24.636 1.00 32.55 H new ATOM 0 HE3 MET A 69 0.700 28.949 -26.328 1.00 32.55 H new ATOM 18 N ASP A 70 2.284 22.710 -25.699 1.00 23.23 N ATOM 19 CA ASP A 70 2.203 21.370 -25.128 1.00 34.14 C ATOM 20 C ASP A 70 3.583 20.874 -24.709 1.00 65.45 C ATOM 21 O ASP A 70 4.603 21.411 -25.139 1.00 24.10 O ATOM 22 CB ASP A 70 1.582 20.401 -26.135 1.00 21.10 C ATOM 23 CG ASP A 70 2.533 20.047 -27.262 1.00 71.45 C ATOM 24 OD1 ASP A 70 2.928 18.867 -27.356 1.00 15.14 O ATOM 25 OD2 ASP A 70 2.884 20.952 -28.048 1.00 53.42 O1- ATOM 0 H ASP A 70 2.255 22.736 -26.718 1.00 23.23 H new ATOM 0 HA ASP A 70 1.570 21.416 -24.242 1.00 34.14 H new ATOM 0 HB2 ASP A 70 1.280 19.490 -25.619 1.00 21.10 H new ATOM 0 HB3 ASP A 70 0.678 20.845 -26.552 1.00 21.10 H new ATOM 30 N ASN A 71 3.607 19.845 -23.868 1.00 22.14 N ATOM 31 CA ASN A 71 4.862 19.277 -23.390 1.00 34.12 C ATOM 32 C ASN A 71 4.640 17.885 -22.805 1.00 4.12 C ATOM 33 O ASN A 71 3.519 17.519 -22.454 1.00 65.53 O ATOM 34 CB ASN A 71 5.491 20.191 -22.336 1.00 71.13 C ATOM 35 CG ASN A 71 6.862 19.714 -21.900 1.00 0.32 C ATOM 36 OD1 ASN A 71 7.650 19.230 -22.713 1.00 3.23 O ATOM 37 ND2 ASN A 71 7.153 19.848 -20.612 1.00 4.42 N ATOM 0 H ASN A 71 2.771 19.388 -23.504 1.00 22.14 H new ATOM 0 HA ASN A 71 5.541 19.192 -24.239 1.00 34.12 H new ATOM 0 HB2 ASN A 71 5.572 21.201 -22.737 1.00 71.13 H new ATOM 0 HB3 ASN A 71 4.835 20.244 -21.467 1.00 71.13 H new ATOM 0 HD21 ASN A 71 8.061 19.544 -20.260 1.00 4.42 H new ATOM 0 HD22 ASN A 71 6.469 20.255 -19.974 1.00 4.42 H new ATOM 44 N SER A 72 5.719 17.115 -22.703 1.00 3.04 N ATOM 45 CA SER A 72 5.643 15.762 -22.163 1.00 45.25 C ATOM 46 C SER A 72 6.638 15.576 -21.021 1.00 31.43 C ATOM 47 O SER A 72 7.274 16.531 -20.575 1.00 24.42 O ATOM 48 CB SER A 72 5.916 14.736 -23.264 1.00 33.44 C ATOM 49 OG SER A 72 5.466 15.206 -24.523 1.00 30.22 O ATOM 0 H SER A 72 6.655 17.404 -22.987 1.00 3.04 H new ATOM 0 HA SER A 72 4.637 15.608 -21.773 1.00 45.25 H new ATOM 0 HB2 SER A 72 6.984 14.525 -23.312 1.00 33.44 H new ATOM 0 HB3 SER A 72 5.416 13.798 -23.023 1.00 33.44 H new ATOM 0 HG SER A 72 5.654 14.533 -25.210 1.00 30.22 H new ATOM 55 N ALA A 73 6.766 14.339 -20.553 1.00 32.23 N ATOM 56 CA ALA A 73 7.685 14.026 -19.464 1.00 1.24 C ATOM 57 C ALA A 73 8.319 12.654 -19.659 1.00 73.54 C ATOM 58 O ALA A 73 7.917 11.892 -20.539 1.00 43.12 O ATOM 59 CB ALA A 73 6.959 14.090 -18.128 1.00 50.03 C ATOM 0 H ALA A 73 6.246 13.538 -20.910 1.00 32.23 H new ATOM 0 HA ALA A 73 8.483 14.769 -19.468 1.00 1.24 H new ATOM 0 HB1 ALA A 73 7.656 13.854 -17.324 1.00 50.03 H new ATOM 0 HB2 ALA A 73 6.559 15.093 -17.979 1.00 50.03 H new ATOM 0 HB3 ALA A 73 6.142 13.369 -18.123 1.00 50.03 H new ATOM 65 N SER A 74 9.314 12.344 -18.833 1.00 65.05 N ATOM 66 CA SER A 74 10.008 11.064 -18.919 1.00 24.22 C ATOM 67 C SER A 74 10.780 10.779 -17.634 1.00 51.35 C ATOM 68 O SER A 74 10.755 11.570 -16.692 1.00 13.12 O ATOM 69 CB SER A 74 10.963 11.057 -20.114 1.00 11.40 C ATOM 70 OG SER A 74 10.248 11.064 -21.338 1.00 64.15 O ATOM 0 H SER A 74 9.657 12.961 -18.097 1.00 65.05 H new ATOM 0 HA SER A 74 9.262 10.281 -19.056 1.00 24.22 H new ATOM 0 HB2 SER A 74 11.617 11.928 -20.066 1.00 11.40 H new ATOM 0 HB3 SER A 74 11.602 10.175 -20.068 1.00 11.40 H new ATOM 0 HG SER A 74 9.287 10.997 -21.156 1.00 64.15 H new ATOM 76 N LYS A 75 11.466 9.641 -17.604 1.00 51.20 N ATOM 77 CA LYS A 75 12.248 9.249 -16.438 1.00 61.13 C ATOM 78 C LYS A 75 13.018 7.960 -16.707 1.00 14.21 C ATOM 79 O LYS A 75 12.446 6.963 -17.144 1.00 53.03 O ATOM 80 CB LYS A 75 11.333 9.063 -15.224 1.00 4.54 C ATOM 81 CG LYS A 75 10.236 8.035 -15.441 1.00 70.10 C ATOM 82 CD LYS A 75 9.031 8.312 -14.559 1.00 22.54 C ATOM 83 CE LYS A 75 7.825 7.491 -14.989 1.00 42.01 C ATOM 84 NZ LYS A 75 7.982 6.051 -14.642 1.00 3.24 N1+ ATOM 0 H LYS A 75 11.496 8.974 -18.375 1.00 51.20 H new ATOM 0 HA LYS A 75 12.964 10.043 -16.229 1.00 61.13 H new ATOM 0 HB2 LYS A 75 11.936 8.763 -14.367 1.00 4.54 H new ATOM 0 HB3 LYS A 75 10.877 10.021 -14.973 1.00 4.54 H new ATOM 0 HG2 LYS A 75 9.931 8.042 -16.488 1.00 70.10 H new ATOM 0 HG3 LYS A 75 10.623 7.038 -15.228 1.00 70.10 H new ATOM 0 HD2 LYS A 75 9.277 8.083 -13.522 1.00 22.54 H new ATOM 0 HD3 LYS A 75 8.784 9.373 -14.601 1.00 22.54 H new ATOM 0 HE2 LYS A 75 6.928 7.884 -14.510 1.00 42.01 H new ATOM 0 HE3 LYS A 75 7.682 7.592 -16.065 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 7.140 5.526 -14.951 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 8.823 5.669 -15.119 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 8.093 5.952 -13.613 1.00 3.24 H new ATOM 98 N ASN A 76 14.322 7.990 -16.444 1.00 3.42 N ATOM 99 CA ASN A 76 15.171 6.824 -16.658 1.00 15.21 C ATOM 100 C ASN A 76 16.609 7.116 -16.242 1.00 1.14 C ATOM 101 O ASN A 76 17.112 8.221 -16.441 1.00 24.43 O ATOM 102 CB ASN A 76 15.129 6.400 -18.127 1.00 52.35 C ATOM 103 CG ASN A 76 15.318 7.570 -19.073 1.00 1.44 C ATOM 104 OD1 ASN A 76 16.416 8.115 -19.193 1.00 51.55 O ATOM 105 ND2 ASN A 76 14.246 7.963 -19.750 1.00 51.31 N ATOM 0 H ASN A 76 14.812 8.808 -16.083 1.00 3.42 H new ATOM 0 HA ASN A 76 14.791 6.010 -16.041 1.00 15.21 H new ATOM 0 HB2 ASN A 76 15.907 5.659 -18.311 1.00 52.35 H new ATOM 0 HB3 ASN A 76 14.174 5.918 -18.336 1.00 52.35 H new ATOM 0 HD21 ASN A 76 14.312 8.746 -20.401 1.00 51.31 H new ATOM 0 HD22 ASN A 76 13.356 7.482 -19.619 1.00 51.31 H new ATOM 112 N SER A 77 17.266 6.115 -15.663 1.00 4.44 N ATOM 113 CA SER A 77 18.646 6.264 -15.215 1.00 12.05 C ATOM 114 C SER A 77 19.438 4.984 -15.459 1.00 25.02 C ATOM 115 O SER A 77 19.167 3.948 -14.852 1.00 34.10 O ATOM 116 CB SER A 77 18.685 6.627 -13.729 1.00 2.00 C ATOM 117 OG SER A 77 17.571 7.423 -13.369 1.00 22.15 O ATOM 0 H SER A 77 16.865 5.193 -15.493 1.00 4.44 H new ATOM 0 HA SER A 77 19.104 7.068 -15.790 1.00 12.05 H new ATOM 0 HB2 SER A 77 18.694 5.717 -13.129 1.00 2.00 H new ATOM 0 HB3 SER A 77 19.607 7.165 -13.507 1.00 2.00 H new ATOM 0 HG SER A 77 17.619 7.640 -12.415 1.00 22.15 H new ATOM 123 N ALA A 78 20.418 5.063 -16.354 1.00 22.23 N ATOM 124 CA ALA A 78 21.250 3.912 -16.678 1.00 11.51 C ATOM 125 C ALA A 78 22.664 4.344 -17.051 1.00 34.52 C ATOM 126 O ALA A 78 22.909 4.806 -18.166 1.00 71.44 O ATOM 127 CB ALA A 78 20.627 3.111 -17.811 1.00 23.42 C ATOM 0 H ALA A 78 20.654 5.912 -16.867 1.00 22.23 H new ATOM 0 HA ALA A 78 21.312 3.280 -15.792 1.00 11.51 H new ATOM 0 HB1 ALA A 78 21.260 2.254 -18.042 1.00 23.42 H new ATOM 0 HB2 ALA A 78 19.639 2.762 -17.510 1.00 23.42 H new ATOM 0 HB3 ALA A 78 20.534 3.742 -18.695 1.00 23.42 H new ATOM 133 N ILE A 79 23.591 4.194 -16.111 1.00 74.14 N ATOM 134 CA ILE A 79 24.981 4.570 -16.341 1.00 71.01 C ATOM 135 C ILE A 79 25.934 3.517 -15.786 1.00 71.13 C ATOM 136 O ILE A 79 26.273 3.534 -14.603 1.00 10.44 O ATOM 137 CB ILE A 79 25.310 5.931 -15.701 1.00 31.22 C ATOM 138 CG1 ILE A 79 24.294 6.986 -16.146 1.00 14.41 C ATOM 139 CG2 ILE A 79 26.723 6.361 -16.066 1.00 3.00 C ATOM 140 CD1 ILE A 79 23.141 7.160 -15.182 1.00 1.13 C ATOM 0 H ILE A 79 23.405 3.815 -15.183 1.00 74.14 H new ATOM 0 HA ILE A 79 25.113 4.644 -17.420 1.00 71.01 H new ATOM 0 HB ILE A 79 25.251 5.830 -14.617 1.00 31.22 H new ATOM 0 HG12 ILE A 79 24.804 7.942 -16.266 1.00 14.41 H new ATOM 0 HG13 ILE A 79 23.900 6.710 -17.124 1.00 14.41 H new ATOM 0 HG21 ILE A 79 26.940 7.325 -15.606 1.00 3.00 H new ATOM 0 HG22 ILE A 79 27.434 5.618 -15.705 1.00 3.00 H new ATOM 0 HG23 ILE A 79 26.808 6.449 -17.149 1.00 3.00 H new ATOM 0 HD11 ILE A 79 22.461 7.923 -15.562 1.00 1.13 H new ATOM 0 HD12 ILE A 79 22.606 6.216 -15.080 1.00 1.13 H new ATOM 0 HD13 ILE A 79 23.524 7.467 -14.209 1.00 1.13 H new ATOM 152 N SER A 80 26.364 2.603 -16.650 1.00 54.20 N ATOM 153 CA SER A 80 27.278 1.540 -16.247 1.00 1.35 C ATOM 154 C SER A 80 27.625 0.642 -17.431 1.00 11.25 C ATOM 155 O SER A 80 26.921 0.628 -18.439 1.00 61.02 O ATOM 156 CB SER A 80 26.658 0.704 -15.124 1.00 45.00 C ATOM 157 OG SER A 80 25.326 0.339 -15.436 1.00 4.14 O ATOM 0 H SER A 80 26.094 2.577 -17.633 1.00 54.20 H new ATOM 0 HA SER A 80 28.195 2.003 -15.883 1.00 1.35 H new ATOM 0 HB2 SER A 80 27.256 -0.193 -14.962 1.00 45.00 H new ATOM 0 HB3 SER A 80 26.674 1.271 -14.193 1.00 45.00 H new ATOM 0 HG SER A 80 24.953 -0.196 -14.704 1.00 4.14 H new ATOM 163 N SER A 81 28.715 -0.105 -17.298 1.00 72.10 N ATOM 164 CA SER A 81 29.160 -1.003 -18.358 1.00 3.34 C ATOM 165 C SER A 81 28.025 -1.922 -18.802 1.00 74.11 C ATOM 166 O SER A 81 27.508 -2.713 -18.013 1.00 52.22 O ATOM 167 CB SER A 81 30.351 -1.837 -17.883 1.00 32.25 C ATOM 168 OG SER A 81 31.127 -1.124 -16.936 1.00 4.53 O ATOM 0 H SER A 81 29.307 -0.107 -16.467 1.00 72.10 H new ATOM 0 HA SER A 81 29.468 -0.396 -19.210 1.00 3.34 H new ATOM 0 HB2 SER A 81 29.994 -2.767 -17.440 1.00 32.25 H new ATOM 0 HB3 SER A 81 30.972 -2.109 -18.736 1.00 32.25 H new ATOM 0 HG SER A 81 31.881 -1.679 -16.647 1.00 4.53 H new ATOM 174 N SER A 82 27.645 -1.812 -20.071 1.00 64.12 N ATOM 175 CA SER A 82 26.570 -2.630 -20.620 1.00 73.52 C ATOM 176 C SER A 82 26.631 -2.655 -22.145 1.00 10.43 C ATOM 177 O SER A 82 27.567 -2.128 -22.748 1.00 22.43 O ATOM 178 CB SER A 82 25.211 -2.098 -20.161 1.00 44.04 C ATOM 179 OG SER A 82 25.074 -2.197 -18.755 1.00 54.11 O ATOM 0 H SER A 82 28.065 -1.165 -20.738 1.00 64.12 H new ATOM 0 HA SER A 82 26.697 -3.648 -20.252 1.00 73.52 H new ATOM 0 HB2 SER A 82 25.101 -1.058 -20.468 1.00 44.04 H new ATOM 0 HB3 SER A 82 24.414 -2.660 -20.648 1.00 44.04 H new ATOM 0 HG SER A 82 25.799 -2.748 -18.394 1.00 54.11 H new ATOM 185 N ILE A 83 25.627 -3.268 -22.761 1.00 3.54 N ATOM 186 CA ILE A 83 25.564 -3.360 -24.214 1.00 1.04 C ATOM 187 C ILE A 83 25.758 -1.993 -24.860 1.00 52.44 C ATOM 188 O ILE A 83 26.293 -1.886 -25.964 1.00 74.14 O ATOM 189 CB ILE A 83 24.222 -3.952 -24.684 1.00 20.12 C ATOM 190 CG1 ILE A 83 23.953 -5.284 -23.979 1.00 73.13 C ATOM 191 CG2 ILE A 83 24.225 -4.137 -26.194 1.00 13.24 C ATOM 192 CD1 ILE A 83 22.881 -5.198 -22.915 1.00 71.04 C ATOM 0 H ILE A 83 24.845 -3.709 -22.276 1.00 3.54 H new ATOM 0 HA ILE A 83 26.372 -4.023 -24.523 1.00 1.04 H new ATOM 0 HB ILE A 83 23.424 -3.257 -24.424 1.00 20.12 H new ATOM 0 HG12 ILE A 83 23.658 -6.026 -24.721 1.00 73.13 H new ATOM 0 HG13 ILE A 83 24.878 -5.638 -23.524 1.00 73.13 H new ATOM 0 HG21 ILE A 83 23.270 -4.556 -26.511 1.00 13.24 H new ATOM 0 HG22 ILE A 83 24.377 -3.172 -26.678 1.00 13.24 H new ATOM 0 HG23 ILE A 83 25.030 -4.815 -26.476 1.00 13.24 H new ATOM 0 HD11 ILE A 83 22.743 -6.178 -22.457 1.00 71.04 H new ATOM 0 HD12 ILE A 83 23.182 -4.480 -22.152 1.00 71.04 H new ATOM 0 HD13 ILE A 83 21.944 -4.874 -23.368 1.00 71.04 H new ATOM 204 N PHE A 84 25.320 -0.948 -24.165 1.00 22.43 N ATOM 205 CA PHE A 84 25.446 0.414 -24.671 1.00 52.22 C ATOM 206 C PHE A 84 26.874 0.694 -25.130 1.00 1.23 C ATOM 207 O PHE A 84 27.096 1.441 -26.083 1.00 0.11 O ATOM 208 CB PHE A 84 25.038 1.420 -23.593 1.00 51.20 C ATOM 209 CG PHE A 84 24.323 2.624 -24.138 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.096 2.492 -24.766 1.00 24.13 C ATOM 211 CD2 PHE A 84 24.879 3.888 -24.020 1.00 23.11 C ATOM 212 CE1 PHE A 84 22.436 3.597 -25.268 1.00 43.41 C ATOM 213 CE2 PHE A 84 24.223 4.997 -24.518 1.00 3.54 C ATOM 214 CZ PHE A 84 23.000 4.852 -25.144 1.00 63.45 C ATOM 0 H PHE A 84 24.875 -1.018 -23.250 1.00 22.43 H new ATOM 0 HA PHE A 84 24.781 0.520 -25.528 1.00 52.22 H new ATOM 0 HB2 PHE A 84 24.394 0.922 -22.868 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.929 1.748 -23.057 1.00 51.20 H new ATOM 0 HD1 PHE A 84 22.650 1.514 -24.865 1.00 24.13 H new ATOM 0 HD2 PHE A 84 25.836 4.007 -23.533 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.480 3.480 -25.757 1.00 43.41 H new ATOM 0 HE2 PHE A 84 24.666 5.977 -24.418 1.00 3.54 H new ATOM 0 HZ PHE A 84 22.486 5.718 -25.535 1.00 63.45 H new ATOM 224 N CYS A 85 27.838 0.090 -24.444 1.00 41.44 N ATOM 225 CA CYS A 85 29.246 0.275 -24.779 1.00 10.24 C ATOM 226 C CYS A 85 29.501 -0.044 -26.249 1.00 23.33 C ATOM 227 O CYS A 85 30.345 0.580 -26.891 1.00 44.32 O ATOM 228 CB CYS A 85 30.123 -0.610 -23.893 1.00 12.32 C ATOM 229 SG CYS A 85 30.212 -0.070 -22.169 1.00 24.32 S ATOM 0 H CYS A 85 27.671 -0.532 -23.653 1.00 41.44 H new ATOM 0 HA CYS A 85 29.502 1.320 -24.603 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.740 -1.630 -23.924 1.00 12.32 H new ATOM 0 HB3 CYS A 85 31.131 -0.635 -24.307 1.00 12.32 H new ATOM 0 HG CYS A 85 30.974 -0.882 -21.499 1.00 24.32 H new ATOM 235 N GLU A 86 28.767 -1.022 -26.772 1.00 41.31 N ATOM 236 CA GLU A 86 28.917 -1.425 -28.166 1.00 23.33 C ATOM 237 C GLU A 86 28.466 -0.311 -29.106 1.00 54.43 C ATOM 238 O GLU A 86 28.940 -0.208 -30.238 1.00 14.41 O ATOM 239 CB GLU A 86 28.113 -2.697 -28.441 1.00 70.34 C ATOM 240 CG GLU A 86 28.381 -3.813 -27.445 1.00 12.31 C ATOM 241 CD GLU A 86 29.820 -4.288 -27.474 1.00 71.01 C ATOM 242 OE1 GLU A 86 30.460 -4.310 -26.402 1.00 12.02 O ATOM 243 OE2 GLU A 86 30.307 -4.639 -28.570 1.00 72.23 O1- ATOM 0 H GLU A 86 28.064 -1.549 -26.253 1.00 41.31 H new ATOM 0 HA GLU A 86 29.973 -1.625 -28.349 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.050 -2.455 -28.426 1.00 70.34 H new ATOM 0 HB3 GLU A 86 28.345 -3.054 -29.445 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.137 -3.465 -26.441 1.00 12.31 H new ATOM 0 HG3 GLU A 86 27.721 -4.653 -27.660 1.00 12.31 H new ATOM 250 N LYS A 87 27.545 0.520 -28.630 1.00 3.45 N ATOM 251 CA LYS A 87 27.029 1.626 -29.426 1.00 44.40 C ATOM 252 C LYS A 87 28.167 2.466 -29.995 1.00 54.55 C ATOM 253 O LYS A 87 28.014 3.120 -31.027 1.00 13.23 O ATOM 254 CB LYS A 87 26.107 2.506 -28.577 1.00 41.11 C ATOM 255 CG LYS A 87 24.931 1.754 -27.978 1.00 30.21 C ATOM 256 CD LYS A 87 23.902 1.394 -29.036 1.00 62.43 C ATOM 257 CE LYS A 87 22.769 0.565 -28.452 1.00 44.42 C ATOM 258 NZ LYS A 87 23.117 -0.881 -28.382 1.00 70.52 N1+ ATOM 0 H LYS A 87 27.141 0.448 -27.696 1.00 3.45 H new ATOM 0 HA LYS A 87 26.460 1.208 -30.256 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.688 2.956 -27.772 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.730 3.323 -29.193 1.00 41.11 H new ATOM 0 HG2 LYS A 87 25.288 0.846 -27.493 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.462 2.365 -27.206 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.498 2.305 -29.477 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.384 0.838 -29.840 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.530 0.930 -27.453 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.874 0.694 -29.061 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 22.318 -1.411 -27.978 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 23.320 -1.236 -29.338 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 23.956 -1.007 -27.780 1.00 70.52 H new ATOM 272 N TYR A 88 29.309 2.444 -29.317 1.00 73.21 N ATOM 273 CA TYR A 88 30.474 3.203 -29.754 1.00 74.10 C ATOM 274 C TYR A 88 30.737 2.989 -31.241 1.00 50.10 C ATOM 275 O TYR A 88 31.215 3.886 -31.936 1.00 0.51 O ATOM 276 CB TYR A 88 31.706 2.800 -28.944 1.00 0.31 C ATOM 277 CG TYR A 88 32.447 1.614 -29.517 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.882 0.344 -29.501 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.712 1.761 -30.072 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.555 -0.744 -30.024 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.391 0.680 -30.599 1.00 45.43 C ATOM 282 CZ TYR A 88 33.810 -0.570 -30.572 1.00 51.51 C ATOM 283 OH TYR A 88 34.484 -1.651 -31.093 1.00 33.11 O ATOM 0 H TYR A 88 29.453 1.908 -28.461 1.00 73.21 H new ATOM 0 HA TYR A 88 30.269 4.261 -29.588 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.386 3.650 -28.887 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.400 2.568 -27.924 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.900 0.205 -29.073 1.00 4.10 H new ATOM 0 HD2 TYR A 88 34.173 2.738 -30.092 1.00 2.51 H new ATOM 0 HE1 TYR A 88 32.102 -1.724 -30.004 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.372 0.813 -31.030 1.00 45.43 H new ATOM 0 HH TYR A 88 35.353 -1.359 -31.440 1.00 33.11 H new ATOM 293 N LYS A 89 30.421 1.792 -31.724 1.00 34.53 N ATOM 294 CA LYS A 89 30.621 1.456 -33.130 1.00 32.43 C ATOM 295 C LYS A 89 29.653 2.232 -34.017 1.00 22.43 C ATOM 296 O LYS A 89 30.072 2.991 -34.890 1.00 3.10 O ATOM 297 CB LYS A 89 30.436 -0.048 -33.347 1.00 53.34 C ATOM 298 CG LYS A 89 30.728 -0.497 -34.768 1.00 63.43 C ATOM 299 CD LYS A 89 29.468 -0.512 -35.618 1.00 14.45 C ATOM 300 CE LYS A 89 29.507 -1.628 -36.651 1.00 72.22 C ATOM 301 NZ LYS A 89 30.656 -1.480 -37.585 1.00 43.33 N1+ ATOM 0 H LYS A 89 30.025 1.038 -31.163 1.00 34.53 H new ATOM 0 HA LYS A 89 31.639 1.734 -33.404 1.00 32.43 H new ATOM 0 HB2 LYS A 89 31.090 -0.589 -32.662 1.00 53.34 H new ATOM 0 HB3 LYS A 89 29.412 -0.320 -33.092 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.463 0.170 -35.218 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.169 -1.494 -34.752 1.00 63.43 H new ATOM 0 HD2 LYS A 89 28.596 -0.639 -34.976 1.00 14.45 H new ATOM 0 HD3 LYS A 89 29.356 0.448 -36.122 1.00 14.45 H new ATOM 0 HE2 LYS A 89 29.573 -2.590 -36.143 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.576 -1.630 -37.218 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 30.563 -2.166 -38.361 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 30.665 -0.516 -37.974 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 31.544 -1.655 -37.073 1.00 43.33 H new ATOM 315 N GLN A 90 28.359 2.036 -33.786 1.00 2.13 N ATOM 316 CA GLN A 90 27.333 2.718 -34.565 1.00 14.13 C ATOM 317 C GLN A 90 27.521 4.230 -34.506 1.00 2.13 C ATOM 318 O GLN A 90 27.485 4.912 -35.531 1.00 41.43 O ATOM 319 CB GLN A 90 25.940 2.345 -34.053 1.00 44.13 C ATOM 320 CG GLN A 90 24.862 2.407 -35.121 1.00 72.41 C ATOM 321 CD GLN A 90 23.469 2.538 -34.538 1.00 65.22 C ATOM 322 OE1 GLN A 90 22.592 1.716 -34.803 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.258 3.576 -33.738 1.00 61.02 N ATOM 0 H GLN A 90 27.997 1.411 -33.066 1.00 2.13 H new ATOM 0 HA GLN A 90 27.428 2.398 -35.603 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.972 1.337 -33.639 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.670 3.016 -33.237 1.00 44.13 H new ATOM 0 HG2 GLN A 90 25.057 3.253 -35.780 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.912 1.507 -35.735 1.00 72.41 H new ATOM 0 HE21 GLN A 90 24.014 4.233 -33.545 1.00 61.02 H new ATOM 0 HE22 GLN A 90 22.340 3.716 -33.316 1.00 61.02 H new ATOM 332 N THR A 91 27.719 4.750 -33.298 1.00 22.11 N ATOM 333 CA THR A 91 27.910 6.182 -33.105 1.00 23.40 C ATOM 334 C THR A 91 29.105 6.690 -33.903 1.00 53.31 C ATOM 335 O THR A 91 28.984 7.625 -34.695 1.00 13.14 O ATOM 336 CB THR A 91 28.118 6.525 -31.618 1.00 43.34 C ATOM 337 OG1 THR A 91 29.280 5.854 -31.118 1.00 21.23 O ATOM 338 CG2 THR A 91 26.903 6.125 -30.795 1.00 21.32 C ATOM 0 H THR A 91 27.751 4.201 -32.439 1.00 22.11 H new ATOM 0 HA THR A 91 27.004 6.672 -33.461 1.00 23.40 H new ATOM 0 HB THR A 91 28.256 7.603 -31.533 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.499 6.198 -30.227 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.073 6.377 -29.748 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.025 6.659 -31.159 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.738 5.051 -30.887 1.00 21.32 H new ATOM 346 N LYS A 92 30.260 6.069 -33.691 1.00 31.12 N ATOM 347 CA LYS A 92 31.478 6.456 -34.393 1.00 63.03 C ATOM 348 C LYS A 92 31.245 6.505 -35.899 1.00 75.23 C ATOM 349 O LYS A 92 31.661 7.451 -36.569 1.00 51.33 O ATOM 350 CB LYS A 92 32.609 5.476 -34.073 1.00 4.45 C ATOM 351 CG LYS A 92 33.939 5.855 -34.701 1.00 1.42 C ATOM 352 CD LYS A 92 35.094 5.634 -33.739 1.00 63.25 C ATOM 353 CE LYS A 92 35.016 6.579 -32.549 1.00 65.32 C ATOM 354 NZ LYS A 92 34.561 5.881 -31.315 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.378 5.295 -33.038 1.00 31.12 H new ATOM 0 HA LYS A 92 31.762 7.452 -34.054 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.731 5.416 -32.992 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.325 4.482 -34.417 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.098 5.264 -35.603 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.913 6.901 -35.006 1.00 1.42 H new ATOM 0 HD2 LYS A 92 35.084 4.602 -33.387 1.00 63.25 H new ATOM 0 HD3 LYS A 92 36.039 5.783 -34.262 1.00 63.25 H new ATOM 0 HE2 LYS A 92 35.995 7.024 -32.374 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.331 7.395 -32.778 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 33.609 6.213 -31.059 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 34.535 4.855 -31.486 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 35.220 6.086 -30.537 1.00 44.20 H new ATOM 368 N GLU A 93 30.578 5.484 -36.425 1.00 42.21 N ATOM 369 CA GLU A 93 30.290 5.414 -37.854 1.00 71.42 C ATOM 370 C GLU A 93 29.430 6.595 -38.294 1.00 60.11 C ATOM 371 O GLU A 93 29.694 7.218 -39.322 1.00 73.42 O ATOM 372 CB GLU A 93 29.583 4.100 -38.190 1.00 74.41 C ATOM 373 CG GLU A 93 29.230 3.957 -39.661 1.00 73.24 C ATOM 374 CD GLU A 93 28.496 2.665 -39.962 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.425 2.726 -40.601 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.994 1.592 -39.559 1.00 60.10 O1- ATOM 0 H GLU A 93 30.226 4.694 -35.884 1.00 42.21 H new ATOM 0 HA GLU A 93 31.237 5.456 -38.392 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.223 3.268 -37.896 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.671 4.026 -37.597 1.00 74.41 H new ATOM 0 HG2 GLU A 93 28.612 4.801 -39.966 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.143 3.999 -40.256 1.00 73.24 H new ATOM 383 N GLN A 94 28.401 6.895 -37.508 1.00 40.54 N ATOM 384 CA GLN A 94 27.500 7.999 -37.818 1.00 30.21 C ATOM 385 C GLN A 94 28.251 9.327 -37.822 1.00 52.42 C ATOM 386 O GLN A 94 27.941 10.224 -38.606 1.00 15.43 O ATOM 387 CB GLN A 94 26.354 8.050 -36.806 1.00 23.31 C ATOM 388 CG GLN A 94 25.183 7.153 -37.168 1.00 1.33 C ATOM 389 CD GLN A 94 23.934 7.472 -36.369 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.152 8.348 -36.741 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.742 6.761 -35.265 1.00 14.24 N ATOM 0 H GLN A 94 28.171 6.390 -36.653 1.00 40.54 H new ATOM 0 HA GLN A 94 27.088 7.831 -38.813 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.733 7.761 -35.826 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.001 9.078 -36.721 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.966 7.257 -38.231 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.462 6.113 -37.000 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.417 6.045 -34.996 1.00 14.24 H new ATOM 0 HE22 GLN A 94 22.920 6.930 -34.686 1.00 14.24 H new ATOM 400 N ALA A 95 29.238 9.447 -36.939 1.00 25.00 N ATOM 401 CA ALA A 95 30.033 10.664 -36.843 1.00 45.15 C ATOM 402 C ALA A 95 30.898 10.856 -38.084 1.00 70.10 C ATOM 403 O ALA A 95 30.764 11.849 -38.800 1.00 11.14 O ATOM 404 CB ALA A 95 30.901 10.630 -35.593 1.00 72.43 C ATOM 0 H ALA A 95 29.505 8.716 -36.280 1.00 25.00 H new ATOM 0 HA ALA A 95 29.349 11.510 -36.775 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.490 11.545 -35.534 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.266 10.550 -34.711 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.570 9.771 -35.638 1.00 72.43 H new ATOM 410 N LEU A 96 31.785 9.899 -38.335 1.00 21.34 N ATOM 411 CA LEU A 96 32.673 9.963 -39.490 1.00 71.41 C ATOM 412 C LEU A 96 31.877 10.135 -40.780 1.00 65.14 C ATOM 413 O LEU A 96 32.287 10.863 -41.684 1.00 60.24 O ATOM 414 CB LEU A 96 33.528 8.697 -39.571 1.00 41.41 C ATOM 415 CG LEU A 96 32.777 7.371 -39.462 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.347 6.886 -40.838 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.639 6.324 -38.771 1.00 62.41 C ATOM 0 H LEU A 96 31.908 9.070 -37.754 1.00 21.34 H new ATOM 0 HA LEU A 96 33.325 10.828 -39.369 1.00 71.41 H new ATOM 0 HB2 LEU A 96 34.069 8.708 -40.517 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.274 8.735 -38.777 1.00 41.41 H new ATOM 0 HG LEU A 96 31.883 7.531 -38.860 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.814 5.940 -40.740 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.692 7.627 -41.296 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.227 6.743 -41.465 1.00 0.51 H new ATOM 0 HD21 LEU A 96 33.088 5.386 -38.702 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.552 6.167 -39.346 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.896 6.668 -37.769 1.00 62.41 H new ATOM 429 N THR A 97 30.733 9.461 -40.857 1.00 53.12 N ATOM 430 CA THR A 97 29.879 9.540 -42.035 1.00 4.23 C ATOM 431 C THR A 97 29.355 10.958 -42.242 1.00 42.31 C ATOM 432 O THR A 97 29.405 11.493 -43.349 1.00 43.35 O ATOM 433 CB THR A 97 28.683 8.575 -41.927 1.00 75.23 C ATOM 434 OG1 THR A 97 28.074 8.692 -40.637 1.00 52.14 O ATOM 435 CG2 THR A 97 29.126 7.138 -42.157 1.00 3.45 C ATOM 0 H THR A 97 30.377 8.855 -40.118 1.00 53.12 H new ATOM 0 HA THR A 97 30.493 9.254 -42.889 1.00 4.23 H new ATOM 0 HB THR A 97 27.957 8.842 -42.695 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.585 8.168 -39.985 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.265 6.474 -42.076 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.562 7.047 -43.152 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.869 6.862 -41.408 1.00 3.45 H new ATOM 443 N PHE A 98 28.855 11.560 -41.168 1.00 64.32 N ATOM 444 CA PHE A 98 28.322 12.916 -41.232 1.00 20.12 C ATOM 445 C PHE A 98 29.447 13.935 -41.398 1.00 70.44 C ATOM 446 O PHE A 98 29.240 15.021 -41.940 1.00 24.53 O ATOM 447 CB PHE A 98 27.517 13.231 -39.969 1.00 4.32 C ATOM 448 CG PHE A 98 28.069 14.381 -39.177 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.746 15.686 -39.510 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.910 14.157 -38.099 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.251 16.748 -38.782 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.418 15.214 -37.369 1.00 2.32 C ATOM 453 CZ PHE A 98 29.090 16.511 -37.711 1.00 14.52 C ATOM 0 H PHE A 98 28.808 11.131 -40.244 1.00 64.32 H new ATOM 0 HA PHE A 98 27.665 12.981 -42.099 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.488 13.455 -40.250 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.489 12.344 -39.335 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.092 15.877 -40.348 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.171 13.145 -37.826 1.00 24.22 H new ATOM 0 HE1 PHE A 98 27.990 17.761 -39.051 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.072 15.026 -36.530 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.489 17.338 -37.142 1.00 14.52 H new ATOM 463 N PHE A 99 30.636 13.576 -40.927 1.00 61.53 N ATOM 464 CA PHE A 99 31.794 14.459 -41.021 1.00 61.41 C ATOM 465 C PHE A 99 32.409 14.401 -42.417 1.00 60.30 C ATOM 466 O PHE A 99 32.895 15.407 -42.933 1.00 64.11 O ATOM 467 CB PHE A 99 32.841 14.075 -39.974 1.00 43.00 C ATOM 468 CG PHE A 99 34.067 14.941 -40.007 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.277 14.435 -40.454 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.010 16.261 -39.590 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.407 15.230 -40.484 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.137 17.062 -39.619 1.00 44.24 C ATOM 473 CZ PHE A 99 36.337 16.545 -40.067 1.00 54.34 C ATOM 0 H PHE A 99 30.824 12.680 -40.476 1.00 61.53 H new ATOM 0 HA PHE A 99 31.459 15.479 -40.832 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.391 14.134 -38.983 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.135 13.037 -40.129 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.338 13.408 -40.783 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.074 16.669 -39.238 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.345 14.823 -40.833 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.079 18.090 -39.292 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.219 17.168 -40.091 1.00 54.34 H new ATOM 483 N GLN A 100 32.384 13.217 -43.020 1.00 31.14 N ATOM 484 CA GLN A 100 32.940 13.028 -44.354 1.00 2.22 C ATOM 485 C GLN A 100 31.924 13.409 -45.426 1.00 64.05 C ATOM 486 O GLN A 100 32.284 13.957 -46.467 1.00 14.00 O ATOM 487 CB GLN A 100 33.381 11.575 -44.545 1.00 53.03 C ATOM 488 CG GLN A 100 32.222 10.597 -44.654 1.00 64.35 C ATOM 489 CD GLN A 100 32.669 9.152 -44.574 1.00 33.11 C ATOM 490 OE1 GLN A 100 32.408 8.358 -45.477 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.348 8.801 -43.488 1.00 14.41 N ATOM 0 H GLN A 100 31.985 12.375 -42.606 1.00 31.14 H new ATOM 0 HA GLN A 100 33.808 13.680 -44.454 1.00 2.22 H new ATOM 0 HB2 GLN A 100 33.991 11.505 -45.446 1.00 53.03 H new ATOM 0 HB3 GLN A 100 34.014 11.283 -43.707 1.00 53.03 H new ATOM 0 HG2 GLN A 100 31.507 10.797 -43.856 1.00 64.35 H new ATOM 0 HG3 GLN A 100 31.701 10.761 -45.597 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.543 9.491 -42.763 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.675 7.841 -43.379 1.00 14.41 H new ATOM 500 N GLU A 101 30.655 13.114 -45.164 1.00 35.51 N ATOM 501 CA GLU A 101 29.589 13.425 -46.108 1.00 4.42 C ATOM 502 C GLU A 101 29.288 14.921 -46.117 1.00 73.11 C ATOM 503 O GLU A 101 29.051 15.511 -47.171 1.00 13.41 O ATOM 504 CB GLU A 101 28.321 12.642 -45.756 1.00 74.32 C ATOM 505 CG GLU A 101 27.245 12.713 -46.826 1.00 62.12 C ATOM 506 CD GLU A 101 25.896 12.231 -46.330 1.00 61.35 C ATOM 507 OE1 GLU A 101 25.639 12.341 -45.113 1.00 22.34 O ATOM 508 OE2 GLU A 101 25.098 11.744 -47.157 1.00 61.22 O1- ATOM 0 H GLU A 101 30.340 12.660 -44.306 1.00 35.51 H new ATOM 0 HA GLU A 101 29.925 13.133 -47.103 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.584 11.598 -45.586 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.916 13.025 -44.819 1.00 74.32 H new ATOM 0 HG2 GLU A 101 27.153 13.741 -47.176 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.549 12.111 -47.682 1.00 62.12 H new ATOM 515 N HIS A 102 29.302 15.528 -44.934 1.00 15.43 N ATOM 516 CA HIS A 102 29.032 16.956 -44.805 1.00 21.40 C ATOM 517 C HIS A 102 30.083 17.631 -43.929 1.00 72.54 C ATOM 518 O HIS A 102 29.800 18.099 -42.827 1.00 40.35 O ATOM 519 CB HIS A 102 27.639 17.182 -44.215 1.00 2.24 C ATOM 520 CG HIS A 102 26.559 17.280 -45.249 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.586 18.195 -46.279 1.00 73.30 N ATOM 522 CD2 HIS A 102 25.418 16.569 -45.409 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.507 18.045 -47.027 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.782 17.063 -46.520 1.00 62.12 N ATOM 0 H HIS A 102 29.497 15.054 -44.052 1.00 15.43 H new ATOM 0 HA HIS A 102 29.074 17.400 -45.800 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.405 16.364 -43.534 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.648 18.097 -43.623 1.00 2.24 H new ATOM 0 HD2 HIS A 102 25.073 15.763 -44.779 1.00 34.24 H new ATOM 0 HE1 HIS A 102 25.260 18.626 -47.903 1.00 44.23 H new ATOM 0 HE2 HIS A 102 23.894 16.727 -46.894 1.00 62.12 H new ATOM 533 N PRO A 103 31.326 17.681 -44.429 1.00 40.25 N ATOM 534 CA PRO A 103 32.445 18.296 -43.709 1.00 34.11 C ATOM 535 C PRO A 103 32.314 19.813 -43.621 1.00 22.13 C ATOM 536 O PRO A 103 32.857 20.541 -44.450 1.00 74.22 O ATOM 537 CB PRO A 103 33.663 17.914 -44.553 1.00 54.42 C ATOM 538 CG PRO A 103 33.122 17.695 -45.923 1.00 30.51 C ATOM 539 CD PRO A 103 31.736 17.143 -45.737 1.00 20.03 C ATOM 0 HA PRO A 103 32.501 17.954 -42.675 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.413 18.705 -44.546 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.144 17.014 -44.169 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.098 18.627 -46.487 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.747 17.000 -46.483 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.065 17.466 -46.533 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.734 16.053 -45.742 1.00 20.03 H new ATOM 547 N GLN A 104 31.590 20.281 -42.609 1.00 53.52 N ATOM 548 CA GLN A 104 31.388 21.712 -42.413 1.00 32.12 C ATOM 549 C GLN A 104 32.709 22.413 -42.114 1.00 3.31 C ATOM 550 O GLN A 104 32.879 23.594 -42.417 1.00 4.35 O ATOM 551 CB GLN A 104 30.398 21.956 -41.271 1.00 52.22 C ATOM 552 CG GLN A 104 29.158 21.081 -41.342 1.00 72.42 C ATOM 553 CD GLN A 104 27.874 21.884 -41.317 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.718 22.852 -42.062 1.00 50.22 O ATOM 555 NE2 GLN A 104 26.943 21.486 -40.457 1.00 43.34 N ATOM 0 H GLN A 104 31.134 19.691 -41.913 1.00 53.52 H new ATOM 0 HA GLN A 104 30.979 22.125 -43.335 1.00 32.12 H new ATOM 0 HB2 GLN A 104 30.902 21.780 -40.321 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.095 23.003 -41.282 1.00 52.22 H new ATOM 0 HG2 GLN A 104 29.191 20.484 -42.254 1.00 72.42 H new ATOM 0 HG3 GLN A 104 29.162 20.384 -40.504 1.00 72.42 H new ATOM 0 HE21 GLN A 104 27.114 20.678 -39.858 1.00 43.34 H new ATOM 0 HE22 GLN A 104 26.057 21.988 -40.396 1.00 43.34 H new ATOM 564 N TYR A 105 33.642 21.677 -41.521 1.00 14.32 N ATOM 565 CA TYR A 105 34.947 22.229 -41.179 1.00 65.43 C ATOM 566 C TYR A 105 35.783 22.467 -42.434 1.00 72.42 C ATOM 567 O TYR A 105 36.642 23.348 -42.462 1.00 15.51 O ATOM 568 CB TYR A 105 35.690 21.287 -40.229 1.00 13.44 C ATOM 569 CG TYR A 105 37.077 21.767 -39.864 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.198 21.286 -40.528 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.265 22.701 -38.852 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.466 21.721 -40.197 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.530 23.142 -38.514 1.00 62.22 C ATOM 574 CZ TYR A 105 39.628 22.649 -39.189 1.00 63.32 C ATOM 575 OH TYR A 105 40.889 23.086 -38.856 1.00 2.35 O ATOM 0 H TYR A 105 33.519 20.697 -41.267 1.00 14.32 H new ATOM 0 HA TYR A 105 34.790 23.186 -40.681 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.104 21.167 -39.318 1.00 13.44 H new ATOM 0 HB3 TYR A 105 35.765 20.303 -40.691 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.076 20.559 -41.317 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.408 23.088 -38.321 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.327 21.337 -40.724 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.659 23.869 -37.726 1.00 62.22 H new ATOM 0 HH TYR A 105 40.827 23.739 -38.128 1.00 2.35 H new ATOM 585 N MET A 106 35.524 21.676 -43.469 1.00 2.13 N ATOM 586 CA MET A 106 36.249 21.801 -44.727 1.00 12.33 C ATOM 587 C MET A 106 35.794 23.036 -45.497 1.00 34.43 C ATOM 588 O MET A 106 36.528 23.565 -46.332 1.00 14.31 O ATOM 589 CB MET A 106 36.049 20.549 -45.583 1.00 2.20 C ATOM 590 CG MET A 106 36.835 19.344 -45.092 1.00 33.23 C ATOM 591 SD MET A 106 36.722 17.937 -46.214 1.00 45.54 S ATOM 592 CE MET A 106 38.415 17.824 -46.787 1.00 62.30 C ATOM 0 H MET A 106 34.817 20.941 -43.461 1.00 2.13 H new ATOM 0 HA MET A 106 37.309 21.909 -44.497 1.00 12.33 H new ATOM 0 HB2 MET A 106 34.989 20.297 -45.602 1.00 2.20 H new ATOM 0 HB3 MET A 106 36.342 20.770 -46.609 1.00 2.20 H new ATOM 0 HG2 MET A 106 37.882 19.623 -44.970 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.466 19.051 -44.109 1.00 33.23 H new ATOM 0 HE1 MET A 106 38.506 16.997 -47.491 1.00 62.30 H new ATOM 0 HE2 MET A 106 38.695 18.754 -47.281 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.076 17.652 -45.938 1.00 62.30 H new ATOM 602 N ARG A 107 34.578 23.491 -45.212 1.00 64.32 N ATOM 603 CA ARG A 107 34.024 24.663 -45.879 1.00 35.05 C ATOM 604 C ARG A 107 34.166 25.905 -45.004 1.00 22.20 C ATOM 605 O ARG A 107 34.400 27.005 -45.503 1.00 15.10 O ATOM 606 CB ARG A 107 32.551 24.434 -46.220 1.00 40.51 C ATOM 607 CG ARG A 107 31.694 24.077 -45.016 1.00 44.25 C ATOM 608 CD ARG A 107 30.259 23.784 -45.420 1.00 14.22 C ATOM 609 NE ARG A 107 29.535 24.997 -45.790 1.00 62.33 N ATOM 610 CZ ARG A 107 28.427 24.999 -46.522 1.00 43.41 C ATOM 611 NH1 ARG A 107 27.919 23.857 -46.963 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 27.826 26.145 -46.816 1.00 71.14 N ATOM 0 H ARG A 107 33.958 23.065 -44.523 1.00 64.32 H new ATOM 0 HA ARG A 107 34.583 24.822 -46.801 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.151 25.334 -46.686 1.00 40.51 H new ATOM 0 HB3 ARG A 107 32.478 23.634 -46.957 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.116 23.207 -44.513 1.00 44.25 H new ATOM 0 HG3 ARG A 107 31.711 24.899 -44.300 1.00 44.25 H new ATOM 0 HD2 ARG A 107 30.254 23.089 -46.259 1.00 14.22 H new ATOM 0 HD3 ARG A 107 29.744 23.292 -44.595 1.00 14.22 H new ATOM 0 HE ARG A 107 29.901 25.893 -45.468 1.00 62.33 H new ATOM 0 HH11 ARG A 107 28.379 22.974 -46.740 1.00 11.24 H new ATOM 0 HH12 ARG A 107 27.068 23.861 -47.525 1.00 11.24 H new ATOM 0 HH21 ARG A 107 28.215 27.026 -46.480 1.00 71.14 H new ATOM 0 HH22 ARG A 107 26.975 26.145 -47.378 1.00 71.14 H new ATOM 626 N SER A 108 34.025 25.719 -43.695 1.00 32.45 N ATOM 627 CA SER A 108 34.135 26.825 -42.750 1.00 62.54 C ATOM 628 C SER A 108 34.662 26.339 -41.404 1.00 72.04 C ATOM 629 O SER A 108 34.121 25.405 -40.811 1.00 3.11 O ATOM 630 CB SER A 108 32.775 27.500 -42.564 1.00 72.53 C ATOM 631 OG SER A 108 32.414 28.249 -43.713 1.00 0.01 O ATOM 0 H SER A 108 33.835 24.814 -43.265 1.00 32.45 H new ATOM 0 HA SER A 108 34.841 27.550 -43.156 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.015 26.744 -42.365 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.807 28.156 -41.694 1.00 72.53 H new ATOM 0 HG SER A 108 33.068 28.091 -44.425 1.00 0.01 H new ATOM 637 N LYS A 109 35.723 26.979 -40.925 1.00 71.21 N ATOM 638 CA LYS A 109 36.326 26.615 -39.648 1.00 31.02 C ATOM 639 C LYS A 109 35.502 27.156 -38.484 1.00 3.25 C ATOM 640 O LYS A 109 35.366 26.500 -37.452 1.00 50.22 O ATOM 641 CB LYS A 109 37.757 27.151 -39.565 1.00 21.34 C ATOM 642 CG LYS A 109 37.845 28.666 -39.648 1.00 52.33 C ATOM 643 CD LYS A 109 39.285 29.145 -39.568 1.00 1.02 C ATOM 644 CE LYS A 109 39.371 30.556 -39.007 1.00 51.12 C ATOM 645 NZ LYS A 109 39.285 31.585 -40.081 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.184 27.754 -41.403 1.00 71.21 H new ATOM 0 HA LYS A 109 36.347 25.527 -39.582 1.00 31.02 H new ATOM 0 HB2 LYS A 109 38.206 26.820 -38.629 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.346 26.716 -40.372 1.00 21.34 H new ATOM 0 HG2 LYS A 109 37.398 29.007 -40.582 1.00 52.33 H new ATOM 0 HG3 LYS A 109 37.267 29.110 -38.838 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.861 28.466 -38.939 1.00 1.02 H new ATOM 0 HD3 LYS A 109 39.734 29.119 -40.561 1.00 1.02 H new ATOM 0 HE2 LYS A 109 38.565 30.711 -38.289 1.00 51.12 H new ATOM 0 HE3 LYS A 109 40.309 30.675 -38.464 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 39.347 32.533 -39.659 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 40.068 31.453 -40.752 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 38.379 31.488 -40.583 1.00 73.22 H new ATOM 659 N GLU A 110 34.951 28.352 -38.659 1.00 44.12 N ATOM 660 CA GLU A 110 34.140 28.979 -37.623 1.00 65.03 C ATOM 661 C GLU A 110 32.839 28.209 -37.411 1.00 4.22 C ATOM 662 O GLU A 110 32.383 28.040 -36.279 1.00 42.42 O ATOM 663 CB GLU A 110 33.831 30.431 -37.992 1.00 51.22 C ATOM 664 CG GLU A 110 33.111 30.580 -39.323 1.00 52.11 C ATOM 665 CD GLU A 110 33.364 31.925 -39.975 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.936 31.949 -41.085 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.989 32.955 -39.375 1.00 64.00 O1- ATOM 0 H GLU A 110 35.051 28.907 -39.509 1.00 44.12 H new ATOM 0 HA GLU A 110 34.709 28.962 -36.693 1.00 65.03 H new ATOM 0 HB2 GLU A 110 33.220 30.875 -37.206 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.763 30.995 -38.027 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.434 29.787 -39.997 1.00 52.11 H new ATOM 0 HG3 GLU A 110 32.040 30.451 -39.169 1.00 52.11 H new ATOM 674 N ASP A 111 32.248 27.744 -38.506 1.00 31.12 N ATOM 675 CA ASP A 111 31.001 26.991 -38.441 1.00 2.31 C ATOM 676 C ASP A 111 31.152 25.764 -37.547 1.00 54.23 C ATOM 677 O ASP A 111 30.324 25.516 -36.672 1.00 72.33 O ATOM 678 CB ASP A 111 30.564 26.566 -39.844 1.00 61.15 C ATOM 679 CG ASP A 111 29.065 26.365 -39.947 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.381 27.265 -40.478 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.576 25.308 -39.496 1.00 75.41 O1- ATOM 0 H ASP A 111 32.612 27.875 -39.450 1.00 31.12 H new ATOM 0 HA ASP A 111 30.236 27.638 -38.011 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.877 27.323 -40.564 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.071 25.640 -40.115 1.00 61.15 H new ATOM 686 N GLU A 112 32.216 25.000 -37.775 1.00 32.13 N ATOM 687 CA GLU A 112 32.474 23.798 -36.992 1.00 62.34 C ATOM 688 C GLU A 112 32.501 24.116 -35.499 1.00 34.15 C ATOM 689 O GLU A 112 31.980 23.357 -34.683 1.00 35.11 O ATOM 690 CB GLU A 112 33.801 23.162 -37.413 1.00 32.10 C ATOM 691 CG GLU A 112 34.193 21.957 -36.574 1.00 0.21 C ATOM 692 CD GLU A 112 35.016 22.336 -35.359 1.00 23.14 C ATOM 693 OE1 GLU A 112 34.696 21.857 -34.252 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.983 23.111 -35.516 1.00 14.24 O1- ATOM 0 H GLU A 112 32.912 25.192 -38.495 1.00 32.13 H new ATOM 0 HA GLU A 112 31.665 23.092 -37.181 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.734 22.860 -38.458 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.590 23.911 -37.348 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.292 21.436 -36.250 1.00 0.21 H new ATOM 0 HG3 GLU A 112 34.761 21.259 -37.190 1.00 0.21 H new ATOM 701 N GLU A 113 33.113 25.244 -35.152 1.00 34.35 N ATOM 702 CA GLU A 113 33.209 25.662 -33.758 1.00 1.04 C ATOM 703 C GLU A 113 31.822 25.852 -33.151 1.00 62.52 C ATOM 704 O GLU A 113 31.466 25.192 -32.175 1.00 62.44 O ATOM 705 CB GLU A 113 34.009 26.962 -33.647 1.00 30.23 C ATOM 706 CG GLU A 113 35.507 26.745 -33.513 1.00 33.05 C ATOM 707 CD GLU A 113 36.189 27.851 -32.732 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.946 29.036 -33.043 1.00 5.24 O ATOM 709 OE2 GLU A 113 36.965 27.531 -31.807 1.00 53.21 O1- ATOM 0 H GLU A 113 33.549 25.884 -35.816 1.00 34.35 H new ATOM 0 HA GLU A 113 33.725 24.878 -33.204 1.00 1.04 H new ATOM 0 HB2 GLU A 113 33.816 27.574 -34.528 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.653 27.525 -32.784 1.00 30.23 H new ATOM 0 HG2 GLU A 113 35.689 25.791 -33.019 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.951 26.680 -34.506 1.00 33.05 H new ATOM 716 N GLN A 114 31.045 26.758 -33.735 1.00 21.15 N ATOM 717 CA GLN A 114 29.698 27.036 -33.250 1.00 15.15 C ATOM 718 C GLN A 114 28.886 25.750 -33.134 1.00 12.24 C ATOM 719 O GLN A 114 28.141 25.558 -32.171 1.00 54.31 O ATOM 720 CB GLN A 114 28.989 28.018 -34.185 1.00 72.44 C ATOM 721 CG GLN A 114 29.733 29.331 -34.363 1.00 22.33 C ATOM 722 CD GLN A 114 29.080 30.235 -35.391 1.00 62.33 C ATOM 723 OE1 GLN A 114 28.107 30.930 -35.097 1.00 32.25 O ATOM 724 NE2 GLN A 114 29.615 30.231 -36.607 1.00 40.41 N ATOM 0 H GLN A 114 31.325 27.312 -34.544 1.00 21.15 H new ATOM 0 HA GLN A 114 29.780 27.483 -32.259 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.858 27.549 -35.160 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.993 28.224 -33.794 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.781 29.850 -33.406 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.760 29.125 -34.665 1.00 22.33 H new ATOM 0 HE21 GLN A 114 30.421 29.639 -36.807 1.00 40.41 H new ATOM 0 HE22 GLN A 114 29.219 30.819 -37.340 1.00 40.41 H new ATOM 733 N LEU A 115 29.032 24.872 -34.120 1.00 24.11 N ATOM 734 CA LEU A 115 28.312 23.603 -34.128 1.00 72.35 C ATOM 735 C LEU A 115 28.751 22.721 -32.965 1.00 40.11 C ATOM 736 O LEU A 115 27.934 22.033 -32.352 1.00 41.13 O ATOM 737 CB LEU A 115 28.542 22.873 -35.453 1.00 4.21 C ATOM 738 CG LEU A 115 27.330 22.149 -36.039 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.583 21.773 -37.491 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.995 20.914 -35.216 1.00 4.03 C ATOM 0 H LEU A 115 29.642 25.015 -34.924 1.00 24.11 H new ATOM 0 HA LEU A 115 27.249 23.815 -34.017 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.898 23.597 -36.187 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.341 22.145 -35.310 1.00 4.21 H new ATOM 0 HG LEU A 115 26.476 22.825 -36.004 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.709 21.259 -37.891 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.771 22.675 -38.073 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.450 21.115 -37.551 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.130 20.412 -35.649 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.847 20.234 -35.217 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.768 21.210 -34.192 1.00 4.03 H new ATOM 752 N MET A 116 30.045 22.745 -32.664 1.00 70.42 N ATOM 753 CA MET A 116 30.592 21.950 -31.572 1.00 64.52 C ATOM 754 C MET A 116 30.040 22.417 -30.229 1.00 75.03 C ATOM 755 O MET A 116 29.423 21.644 -29.494 1.00 41.14 O ATOM 756 CB MET A 116 32.119 22.033 -31.565 1.00 43.44 C ATOM 757 CG MET A 116 32.769 21.204 -30.469 1.00 45.44 C ATOM 758 SD MET A 116 33.361 22.211 -29.095 1.00 64.42 S ATOM 759 CE MET A 116 35.091 22.383 -29.521 1.00 64.32 C ATOM 0 H MET A 116 30.735 23.307 -33.162 1.00 70.42 H new ATOM 0 HA MET A 116 30.293 20.913 -31.727 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.497 21.701 -32.532 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.417 23.075 -31.446 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.050 20.474 -30.096 1.00 45.44 H new ATOM 0 HG3 MET A 116 33.604 20.643 -30.890 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.594 22.983 -28.763 1.00 64.32 H new ATOM 0 HE2 MET A 116 35.554 21.397 -29.569 1.00 64.32 H new ATOM 0 HE3 MET A 116 35.180 22.874 -30.490 1.00 64.32 H new ATOM 769 N THR A 117 30.265 23.689 -29.912 1.00 23.24 N ATOM 770 CA THR A 117 29.792 24.260 -28.658 1.00 45.12 C ATOM 771 C THR A 117 28.297 24.021 -28.474 1.00 55.01 C ATOM 772 O THR A 117 27.852 23.610 -27.404 1.00 75.24 O ATOM 773 CB THR A 117 30.070 25.773 -28.588 1.00 45.34 C ATOM 774 OG1 THR A 117 29.455 26.332 -27.422 1.00 40.01 O ATOM 775 CG2 THR A 117 29.545 26.478 -29.831 1.00 22.51 C ATOM 0 H THR A 117 30.773 24.343 -30.508 1.00 23.24 H new ATOM 0 HA THR A 117 30.339 23.761 -27.858 1.00 45.12 H new ATOM 0 HB THR A 117 31.149 25.919 -28.534 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.638 27.294 -27.385 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.753 27.546 -29.759 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.037 26.072 -30.715 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.469 26.322 -29.910 1.00 22.51 H new ATOM 783 N GLU A 118 27.527 24.281 -29.527 1.00 13.24 N ATOM 784 CA GLU A 118 26.082 24.094 -29.479 1.00 64.41 C ATOM 785 C GLU A 118 25.728 22.615 -29.350 1.00 71.35 C ATOM 786 O GLU A 118 24.809 22.246 -28.619 1.00 2.31 O ATOM 787 CB GLU A 118 25.429 24.677 -30.734 1.00 42.20 C ATOM 788 CG GLU A 118 23.919 24.816 -30.626 1.00 62.40 C ATOM 789 CD GLU A 118 23.376 25.952 -31.471 1.00 32.23 C ATOM 790 OE1 GLU A 118 23.264 27.080 -30.948 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.063 25.714 -32.657 1.00 51.30 O1- ATOM 0 H GLU A 118 27.880 24.621 -30.422 1.00 13.24 H new ATOM 0 HA GLU A 118 25.703 24.619 -28.602 1.00 64.41 H new ATOM 0 HB2 GLU A 118 25.862 25.656 -30.937 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.667 24.040 -31.586 1.00 42.20 H new ATOM 0 HG2 GLU A 118 23.449 23.882 -30.934 1.00 62.40 H new ATOM 0 HG3 GLU A 118 23.647 24.981 -29.584 1.00 62.40 H new ATOM 798 N PHE A 119 26.467 21.772 -30.065 1.00 72.35 N ATOM 799 CA PHE A 119 26.231 20.332 -30.033 1.00 31.24 C ATOM 800 C PHE A 119 26.462 19.777 -28.631 1.00 51.21 C ATOM 801 O PHE A 119 25.865 18.771 -28.242 1.00 74.52 O ATOM 802 CB PHE A 119 27.145 19.622 -31.033 1.00 12.54 C ATOM 803 CG PHE A 119 27.337 18.162 -30.737 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.465 17.720 -30.066 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.389 17.232 -31.131 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.645 16.377 -29.792 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.563 15.887 -30.860 1.00 3.12 C ATOM 808 CZ PHE A 119 27.694 15.460 -30.190 1.00 63.33 C ATOM 0 H PHE A 119 27.233 22.061 -30.673 1.00 72.35 H new ATOM 0 HA PHE A 119 25.193 20.151 -30.311 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.728 19.730 -32.034 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.117 20.115 -31.038 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.213 18.433 -29.753 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.504 17.561 -31.656 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.529 16.046 -29.267 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.816 15.171 -31.171 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.833 14.410 -29.978 1.00 63.33 H new ATOM 818 N LYS A 120 27.333 20.435 -27.875 1.00 14.44 N ATOM 819 CA LYS A 120 27.645 20.009 -26.516 1.00 23.11 C ATOM 820 C LYS A 120 26.616 20.547 -25.527 1.00 34.44 C ATOM 821 O LYS A 120 26.290 19.893 -24.537 1.00 62.52 O ATOM 822 CB LYS A 120 29.046 20.482 -26.119 1.00 32.24 C ATOM 823 CG LYS A 120 30.115 19.414 -26.273 1.00 15.35 C ATOM 824 CD LYS A 120 31.488 20.027 -26.488 1.00 0.00 C ATOM 825 CE LYS A 120 31.906 20.890 -25.306 1.00 12.11 C ATOM 826 NZ LYS A 120 33.330 21.312 -25.404 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.837 21.267 -28.181 1.00 14.44 H new ATOM 0 HA LYS A 120 27.615 18.920 -26.488 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.315 21.344 -26.729 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.027 20.818 -25.082 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.132 18.784 -25.384 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.867 18.769 -27.116 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.221 19.235 -26.639 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.480 20.631 -27.396 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.268 21.773 -25.257 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.754 20.336 -24.380 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.496 22.122 -24.774 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.946 20.523 -25.123 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.544 21.586 -26.384 1.00 75.10 H new ATOM 840 N LYS A 121 26.106 21.743 -25.803 1.00 31.11 N ATOM 841 CA LYS A 121 25.112 22.370 -24.940 1.00 75.21 C ATOM 842 C LYS A 121 23.735 21.751 -25.159 1.00 2.10 C ATOM 843 O LYS A 121 22.933 21.650 -24.231 1.00 52.44 O ATOM 844 CB LYS A 121 25.054 23.876 -25.203 1.00 1.02 C ATOM 845 CG LYS A 121 23.947 24.284 -26.160 1.00 1.41 C ATOM 846 CD LYS A 121 24.101 25.728 -26.606 1.00 43.52 C ATOM 847 CE LYS A 121 23.941 26.692 -25.441 1.00 20.23 C ATOM 848 NZ LYS A 121 22.892 27.716 -25.708 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.365 22.298 -26.619 1.00 31.11 H new ATOM 0 HA LYS A 121 25.407 22.200 -23.905 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.914 24.397 -24.256 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.012 24.203 -25.608 1.00 1.02 H new ATOM 0 HG2 LYS A 121 23.959 23.630 -27.032 1.00 1.41 H new ATOM 0 HG3 LYS A 121 22.979 24.153 -25.676 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.081 25.866 -27.062 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.359 25.954 -27.371 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.683 26.134 -24.541 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.892 27.188 -25.247 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 22.813 28.354 -24.890 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.150 28.266 -26.552 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 21.979 27.244 -25.868 1.00 31.14 H new ATOM 862 N VAL A 122 23.467 21.336 -26.394 1.00 23.10 N ATOM 863 CA VAL A 122 22.188 20.725 -26.735 1.00 13.41 C ATOM 864 C VAL A 122 22.096 19.303 -26.192 1.00 52.23 C ATOM 865 O VAL A 122 21.016 18.715 -26.141 1.00 71.34 O ATOM 866 CB VAL A 122 21.968 20.697 -28.259 1.00 62.53 C ATOM 867 CG1 VAL A 122 21.990 22.107 -28.829 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.017 19.824 -28.932 1.00 1.45 C ATOM 0 H VAL A 122 24.119 21.412 -27.175 1.00 23.10 H new ATOM 0 HA VAL A 122 21.412 21.337 -26.275 1.00 13.41 H new ATOM 0 HB VAL A 122 20.987 20.266 -28.459 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.833 22.066 -29.907 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.198 22.698 -28.369 1.00 0.12 H new ATOM 0 HG13 VAL A 122 22.955 22.569 -28.620 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.847 19.815 -30.009 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.010 20.223 -28.725 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.947 18.807 -28.545 1.00 1.45 H new ATOM 878 N LEU A 123 23.237 18.756 -25.787 1.00 4.14 N ATOM 879 CA LEU A 123 23.286 17.402 -25.246 1.00 53.40 C ATOM 880 C LEU A 123 22.951 17.397 -23.759 1.00 25.13 C ATOM 881 O LEU A 123 22.291 16.484 -23.263 1.00 61.25 O ATOM 882 CB LEU A 123 24.671 16.792 -25.472 1.00 74.02 C ATOM 883 CG LEU A 123 24.876 16.066 -26.802 1.00 44.32 C ATOM 884 CD1 LEU A 123 23.964 16.646 -27.873 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.332 16.151 -27.236 1.00 1.21 C ATOM 0 H LEU A 123 24.140 19.229 -25.823 1.00 4.14 H new ATOM 0 HA LEU A 123 22.541 16.801 -25.768 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.413 17.587 -25.397 1.00 74.02 H new ATOM 0 HB3 LEU A 123 24.873 16.090 -24.663 1.00 74.02 H new ATOM 0 HG LEU A 123 24.619 15.016 -26.665 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.124 16.117 -28.813 1.00 42.44 H new ATOM 0 HD12 LEU A 123 22.924 16.534 -27.566 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.190 17.704 -28.009 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.460 15.629 -28.184 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.615 17.197 -27.356 1.00 1.21 H new ATOM 0 HD23 LEU A 123 26.965 15.688 -26.479 1.00 1.21 H new ATOM 897 N LEU A 124 23.411 18.424 -23.051 1.00 54.13 N ATOM 898 CA LEU A 124 23.158 18.540 -21.619 1.00 75.34 C ATOM 899 C LEU A 124 21.897 19.356 -21.352 1.00 14.20 C ATOM 900 O LEU A 124 21.214 19.149 -20.351 1.00 71.21 O ATOM 901 CB LEU A 124 24.356 19.186 -20.920 1.00 22.35 C ATOM 902 CG LEU A 124 25.516 18.252 -20.576 1.00 2.11 C ATOM 903 CD1 LEU A 124 25.056 17.159 -19.623 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.108 17.646 -21.840 1.00 45.33 C ATOM 0 H LEU A 124 23.961 19.187 -23.445 1.00 54.13 H new ATOM 0 HA LEU A 124 23.010 17.537 -21.219 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.736 19.985 -21.557 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.006 19.652 -19.999 1.00 22.35 H new ATOM 0 HG LEU A 124 26.292 18.836 -20.080 1.00 2.11 H new ATOM 0 HD11 LEU A 124 25.895 16.503 -19.389 1.00 33.13 H new ATOM 0 HD12 LEU A 124 24.682 17.611 -18.705 1.00 33.13 H new ATOM 0 HD13 LEU A 124 24.261 16.578 -20.092 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.932 16.984 -21.575 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.340 17.077 -22.365 1.00 45.33 H new ATOM 0 HD23 LEU A 124 26.476 18.442 -22.487 1.00 45.33 H new ATOM 916 N GLU A 125 21.596 20.282 -22.257 1.00 14.41 N ATOM 917 CA GLU A 125 20.417 21.129 -22.120 1.00 41.11 C ATOM 918 C GLU A 125 19.187 20.295 -21.771 1.00 63.43 C ATOM 919 O GLU A 125 18.552 20.484 -20.733 1.00 14.15 O ATOM 920 CB GLU A 125 20.168 21.909 -23.412 1.00 64.13 C ATOM 921 CG GLU A 125 18.702 22.222 -23.661 1.00 62.33 C ATOM 922 CD GLU A 125 18.051 22.932 -22.490 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.604 23.954 -22.034 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.989 22.465 -22.029 1.00 3.44 O1- ATOM 0 H GLU A 125 22.152 20.465 -23.092 1.00 14.41 H new ATOM 0 HA GLU A 125 20.600 21.834 -21.309 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.729 22.843 -23.377 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.556 21.335 -24.253 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.613 22.843 -24.553 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.165 21.295 -23.863 1.00 62.33 H new ATOM 931 N PRO A 126 18.842 19.350 -22.658 1.00 30.12 N ATOM 932 CA PRO A 126 17.687 18.468 -22.466 1.00 22.40 C ATOM 933 C PRO A 126 17.902 17.468 -21.337 1.00 25.33 C ATOM 934 O PRO A 126 19.036 17.146 -20.987 1.00 41.31 O ATOM 935 CB PRO A 126 17.569 17.742 -23.809 1.00 61.24 C ATOM 936 CG PRO A 126 18.944 17.775 -24.380 1.00 12.33 C ATOM 937 CD PRO A 126 19.554 19.068 -23.915 1.00 0.12 C ATOM 0 HA PRO A 126 16.792 19.024 -22.186 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.220 16.718 -23.676 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.855 18.239 -24.466 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.529 16.922 -24.037 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.916 17.726 -25.469 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.628 18.971 -23.755 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.411 19.865 -24.645 1.00 0.12 H new ATOM 945 N GLY A 127 16.804 16.978 -20.769 1.00 43.42 N ATOM 946 CA GLY A 127 16.895 16.018 -19.684 1.00 51.41 C ATOM 947 C GLY A 127 16.911 14.585 -20.178 1.00 23.25 C ATOM 948 O GLY A 127 17.344 13.681 -19.464 1.00 21.10 O ATOM 0 H GLY A 127 15.853 17.229 -21.041 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.800 16.211 -19.108 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.051 16.157 -19.008 1.00 51.41 H new ATOM 952 N SER A 128 16.437 14.377 -21.402 1.00 64.24 N ATOM 953 CA SER A 128 16.393 13.042 -21.988 1.00 14.15 C ATOM 954 C SER A 128 17.724 12.696 -22.650 1.00 43.42 C ATOM 955 O SER A 128 17.763 12.224 -23.786 1.00 75.43 O ATOM 956 CB SER A 128 15.263 12.949 -23.014 1.00 12.14 C ATOM 957 OG SER A 128 13.995 13.040 -22.386 1.00 41.51 O ATOM 0 H SER A 128 16.078 15.115 -22.007 1.00 64.24 H new ATOM 0 HA SER A 128 16.207 12.327 -21.187 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.367 13.748 -23.748 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.337 12.007 -23.557 1.00 12.14 H new ATOM 0 HG SER A 128 13.289 12.980 -23.063 1.00 41.51 H new ATOM 963 N LYS A 129 18.815 12.934 -21.929 1.00 13.44 N ATOM 964 CA LYS A 129 20.149 12.648 -22.442 1.00 70.44 C ATOM 965 C LYS A 129 20.282 11.176 -22.822 1.00 11.20 C ATOM 966 O LYS A 129 21.212 10.789 -23.527 1.00 23.24 O ATOM 967 CB LYS A 129 21.208 13.014 -21.400 1.00 55.21 C ATOM 968 CG LYS A 129 20.971 12.377 -20.042 1.00 13.43 C ATOM 969 CD LYS A 129 21.569 10.983 -19.967 1.00 2.32 C ATOM 970 CE LYS A 129 20.573 9.978 -19.409 1.00 34.02 C ATOM 971 NZ LYS A 129 21.029 8.574 -19.611 1.00 60.14 N1+ ATOM 0 H LYS A 129 18.801 13.325 -20.987 1.00 13.44 H new ATOM 0 HA LYS A 129 20.304 13.252 -23.336 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.188 12.710 -21.768 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.233 14.098 -21.284 1.00 55.21 H new ATOM 0 HG2 LYS A 129 21.408 13.003 -19.264 1.00 13.43 H new ATOM 0 HG3 LYS A 129 19.900 12.325 -19.845 1.00 13.43 H new ATOM 0 HD2 LYS A 129 21.887 10.668 -20.961 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.460 11.001 -19.339 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.428 10.163 -18.345 1.00 34.02 H new ATOM 0 HE3 LYS A 129 19.606 10.119 -19.892 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.748 7.997 -18.793 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 20.593 8.188 -20.473 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.064 8.556 -19.709 1.00 60.14 H new ATOM 985 N ASN A 130 19.344 10.361 -22.352 1.00 50.25 N ATOM 986 CA ASN A 130 19.355 8.932 -22.642 1.00 20.54 C ATOM 987 C ASN A 130 18.941 8.668 -24.087 1.00 24.34 C ATOM 988 O ASN A 130 18.955 7.527 -24.550 1.00 52.01 O ATOM 989 CB ASN A 130 18.420 8.188 -21.687 1.00 13.43 C ATOM 990 CG ASN A 130 16.973 8.239 -22.139 1.00 62.11 C ATOM 991 OD1 ASN A 130 16.448 7.269 -22.685 1.00 43.45 O ATOM 992 ND2 ASN A 130 16.322 9.374 -21.913 1.00 30.42 N ATOM 0 H ASN A 130 18.566 10.666 -21.768 1.00 50.25 H new ATOM 0 HA ASN A 130 20.372 8.566 -22.501 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.737 7.148 -21.609 1.00 13.43 H new ATOM 0 HB3 ASN A 130 18.502 8.622 -20.691 1.00 13.43 H new ATOM 0 HD21 ASN A 130 15.346 9.467 -22.195 1.00 30.42 H new ATOM 0 HD22 ASN A 130 16.798 10.153 -21.457 1.00 30.42 H new ATOM 999 N LEU A 131 18.573 9.731 -24.794 1.00 22.31 N ATOM 1000 CA LEU A 131 18.155 9.615 -26.187 1.00 15.12 C ATOM 1001 C LEU A 131 19.305 9.127 -27.062 1.00 65.34 C ATOM 1002 O LEU A 131 20.472 9.239 -26.690 1.00 42.41 O ATOM 1003 CB LEU A 131 17.646 10.964 -26.702 1.00 11.43 C ATOM 1004 CG LEU A 131 18.585 12.154 -26.505 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.542 12.278 -27.681 1.00 2.43 C ATOM 1006 CD2 LEU A 131 17.788 13.438 -26.327 1.00 50.13 C ATOM 0 H LEU A 131 18.556 10.682 -24.426 1.00 22.31 H new ATOM 0 HA LEU A 131 17.348 8.884 -26.238 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.433 10.867 -27.767 1.00 11.43 H new ATOM 0 HB3 LEU A 131 16.701 11.186 -26.207 1.00 11.43 H new ATOM 0 HG LEU A 131 19.171 11.985 -25.601 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.203 13.130 -27.524 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.136 11.368 -27.764 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.973 12.424 -28.599 1.00 2.43 H new ATOM 0 HD21 LEU A 131 18.472 14.275 -26.188 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.177 13.612 -27.212 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.143 13.348 -25.453 1.00 50.13 H new ATOM 1018 N SER A 132 18.965 8.584 -28.228 1.00 12.44 N ATOM 1019 CA SER A 132 19.970 8.077 -29.155 1.00 34.35 C ATOM 1020 C SER A 132 20.933 9.183 -29.572 1.00 0.35 C ATOM 1021 O SER A 132 20.691 10.362 -29.313 1.00 24.34 O ATOM 1022 CB SER A 132 19.295 7.479 -30.392 1.00 71.11 C ATOM 1023 OG SER A 132 20.012 6.353 -30.869 1.00 74.41 O ATOM 0 H SER A 132 18.003 8.484 -28.552 1.00 12.44 H new ATOM 0 HA SER A 132 20.539 7.299 -28.646 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.274 7.187 -30.148 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.232 8.233 -31.176 1.00 71.11 H new ATOM 0 HG SER A 132 19.560 5.988 -31.658 1.00 74.41 H new ATOM 1029 N ILE A 133 22.026 8.794 -30.221 1.00 2.43 N ATOM 1030 CA ILE A 133 23.026 9.752 -30.676 1.00 72.04 C ATOM 1031 C ILE A 133 22.582 10.441 -31.961 1.00 24.01 C ATOM 1032 O ILE A 133 23.080 11.513 -32.307 1.00 53.43 O ATOM 1033 CB ILE A 133 24.388 9.074 -30.913 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.405 10.092 -31.433 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.241 7.917 -31.889 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.840 9.722 -31.130 1.00 63.31 C ATOM 0 H ILE A 133 22.241 7.822 -30.443 1.00 2.43 H new ATOM 0 HA ILE A 133 23.133 10.496 -29.887 1.00 72.04 H new ATOM 0 HB ILE A 133 24.751 8.679 -29.964 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.285 10.195 -32.511 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.189 11.066 -30.994 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.212 7.448 -32.046 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.545 7.183 -31.481 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.860 8.289 -32.840 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.505 10.488 -31.528 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.977 9.648 -30.051 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.074 8.763 -31.592 1.00 63.31 H new ATOM 1048 N TYR A 134 21.643 9.819 -32.665 1.00 51.34 N ATOM 1049 CA TYR A 134 21.133 10.372 -33.914 1.00 14.53 C ATOM 1050 C TYR A 134 20.358 11.663 -33.663 1.00 72.13 C ATOM 1051 O TYR A 134 20.448 12.614 -34.438 1.00 64.14 O ATOM 1052 CB TYR A 134 20.234 9.353 -34.618 1.00 10.23 C ATOM 1053 CG TYR A 134 19.502 9.917 -35.814 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.159 10.127 -37.020 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.152 10.240 -35.739 1.00 14.43 C ATOM 1056 CE1 TYR A 134 19.493 10.643 -38.117 1.00 43.31 C ATOM 1057 CE2 TYR A 134 17.479 10.753 -36.830 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.154 10.953 -38.016 1.00 2.11 C ATOM 1059 OH TYR A 134 17.486 11.467 -39.104 1.00 3.43 O ATOM 0 H TYR A 134 21.220 8.932 -32.392 1.00 51.34 H new ATOM 0 HA TYR A 134 21.985 10.600 -34.555 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.841 8.507 -34.940 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.505 8.969 -33.904 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.208 9.883 -37.102 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.620 10.087 -34.811 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.019 10.802 -39.047 1.00 43.31 H new ATOM 0 HE2 TYR A 134 16.429 10.996 -36.755 1.00 22.22 H new ATOM 0 HH TYR A 134 16.549 11.630 -38.866 1.00 3.43 H new ATOM 1069 N GLN A 135 19.598 11.684 -32.573 1.00 15.24 N ATOM 1070 CA GLN A 135 18.806 12.857 -32.218 1.00 3.44 C ATOM 1071 C GLN A 135 19.703 13.996 -31.747 1.00 63.55 C ATOM 1072 O GLN A 135 19.465 15.162 -32.067 1.00 15.31 O ATOM 1073 CB GLN A 135 17.794 12.504 -31.128 1.00 23.05 C ATOM 1074 CG GLN A 135 16.663 11.611 -31.613 1.00 5.20 C ATOM 1075 CD GLN A 135 16.492 10.370 -30.759 1.00 34.34 C ATOM 1076 OE1 GLN A 135 15.898 10.420 -29.681 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.013 9.246 -31.237 1.00 23.23 N ATOM 0 H GLN A 135 19.514 10.904 -31.921 1.00 15.24 H new ATOM 0 HA GLN A 135 18.270 13.186 -33.108 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.313 12.006 -30.309 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.372 13.424 -30.724 1.00 23.05 H new ATOM 0 HG2 GLN A 135 15.732 12.178 -31.614 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.856 11.314 -32.644 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.497 9.250 -32.135 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.929 8.379 -30.706 1.00 23.23 H new ATOM 1086 N THR A 136 20.736 13.654 -30.984 1.00 4.35 N ATOM 1087 CA THR A 136 21.668 14.647 -30.467 1.00 41.33 C ATOM 1088 C THR A 136 22.349 15.405 -31.601 1.00 13.53 C ATOM 1089 O THR A 136 22.257 16.630 -31.686 1.00 52.25 O ATOM 1090 CB THR A 136 22.745 13.998 -29.578 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.092 12.706 -30.092 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.256 13.864 -28.144 1.00 12.34 C ATOM 0 H THR A 136 20.948 12.695 -30.710 1.00 4.35 H new ATOM 0 HA THR A 136 21.085 15.345 -29.866 1.00 41.33 H new ATOM 0 HB THR A 136 23.626 14.640 -29.586 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.856 12.658 -31.042 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.034 13.403 -27.536 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.021 14.851 -27.746 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.361 13.242 -28.121 1.00 12.34 H new ATOM 1100 N LEU A 137 23.033 14.670 -32.469 1.00 40.20 N ATOM 1101 CA LEU A 137 23.729 15.272 -33.600 1.00 24.30 C ATOM 1102 C LEU A 137 22.748 15.978 -34.531 1.00 25.13 C ATOM 1103 O LEU A 137 22.997 17.100 -34.977 1.00 73.04 O ATOM 1104 CB LEU A 137 24.506 14.206 -34.374 1.00 71.51 C ATOM 1105 CG LEU A 137 25.138 14.658 -35.691 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.652 14.726 -35.562 1.00 42.21 C ATOM 1107 CD2 LEU A 137 24.740 13.723 -36.824 1.00 41.53 C ATOM 0 H LEU A 137 23.121 13.655 -32.412 1.00 40.20 H new ATOM 0 HA LEU A 137 24.429 16.012 -33.211 1.00 24.30 H new ATOM 0 HB2 LEU A 137 25.296 13.821 -33.729 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.832 13.375 -34.584 1.00 71.51 H new ATOM 0 HG LEU A 137 24.768 15.657 -35.924 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.084 15.049 -36.509 1.00 42.21 H new ATOM 0 HD12 LEU A 137 26.919 15.437 -34.780 1.00 42.21 H new ATOM 0 HD13 LEU A 137 27.040 13.740 -35.304 1.00 42.21 H new ATOM 0 HD21 LEU A 137 25.199 14.061 -37.753 1.00 41.53 H new ATOM 0 HD22 LEU A 137 25.080 12.712 -36.598 1.00 41.53 H new ATOM 0 HD23 LEU A 137 23.656 13.725 -36.934 1.00 41.53 H new ATOM 1119 N LEU A 138 21.633 15.316 -34.819 1.00 10.14 N ATOM 1120 CA LEU A 138 20.612 15.881 -35.694 1.00 31.24 C ATOM 1121 C LEU A 138 20.098 17.209 -35.146 1.00 11.02 C ATOM 1122 O LEU A 138 20.069 18.215 -35.853 1.00 71.33 O ATOM 1123 CB LEU A 138 19.451 14.899 -35.857 1.00 41.12 C ATOM 1124 CG LEU A 138 18.265 15.394 -36.684 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.587 14.233 -37.395 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.270 16.133 -35.800 1.00 22.45 C ATOM 0 H LEU A 138 21.413 14.387 -34.459 1.00 10.14 H new ATOM 0 HA LEU A 138 21.065 16.063 -36.669 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.834 13.988 -36.317 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.089 14.628 -34.865 1.00 41.12 H new ATOM 0 HG LEU A 138 18.638 16.087 -37.438 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.745 14.605 -37.979 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.301 13.746 -38.059 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.228 13.515 -36.658 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.432 16.478 -36.405 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.904 15.461 -35.024 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.761 16.989 -35.337 1.00 22.45 H new ATOM 1138 N ALA A 139 19.695 17.204 -33.880 1.00 11.23 N ATOM 1139 CA ALA A 139 19.185 18.407 -33.234 1.00 25.20 C ATOM 1140 C ALA A 139 20.201 19.542 -33.310 1.00 1.41 C ATOM 1141 O ALA A 139 19.886 20.640 -33.767 1.00 21.21 O ATOM 1142 CB ALA A 139 18.822 18.116 -31.785 1.00 44.04 C ATOM 0 H ALA A 139 19.712 16.379 -33.281 1.00 11.23 H new ATOM 0 HA ALA A 139 18.286 18.722 -33.765 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.443 19.024 -31.316 1.00 44.04 H new ATOM 0 HB2 ALA A 139 18.055 17.342 -31.750 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.708 17.774 -31.250 1.00 44.04 H new ATOM 1148 N ALA A 140 21.421 19.269 -32.859 1.00 70.34 N ATOM 1149 CA ALA A 140 22.483 20.267 -32.877 1.00 73.32 C ATOM 1150 C ALA A 140 22.633 20.884 -34.263 1.00 31.53 C ATOM 1151 O ALA A 140 22.626 22.106 -34.414 1.00 61.43 O ATOM 1152 CB ALA A 140 23.798 19.646 -32.428 1.00 20.30 C ATOM 0 H ALA A 140 21.698 18.365 -32.477 1.00 70.34 H new ATOM 0 HA ALA A 140 22.213 21.062 -32.182 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.583 20.402 -32.446 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.690 19.259 -31.415 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.064 18.831 -33.101 1.00 20.30 H new ATOM 1158 N HIS A 141 22.770 20.032 -35.274 1.00 1.44 N ATOM 1159 CA HIS A 141 22.922 20.494 -36.649 1.00 35.23 C ATOM 1160 C HIS A 141 21.797 21.451 -37.028 1.00 23.11 C ATOM 1161 O HIS A 141 22.044 22.603 -37.386 1.00 71.12 O ATOM 1162 CB HIS A 141 22.941 19.305 -37.609 1.00 54.14 C ATOM 1163 CG HIS A 141 23.177 19.692 -39.037 1.00 62.40 C ATOM 1164 ND1 HIS A 141 22.177 20.150 -39.869 1.00 11.41 N ATOM 1165 CD2 HIS A 141 24.309 19.688 -39.780 1.00 55.51 C ATOM 1166 CE1 HIS A 141 22.683 20.410 -41.060 1.00 43.34 C ATOM 1167 NE2 HIS A 141 23.976 20.139 -41.033 1.00 1.53 N ATOM 0 H HIS A 141 22.779 19.018 -35.167 1.00 1.44 H new ATOM 0 HA HIS A 141 23.869 21.028 -36.724 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.719 18.609 -37.296 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.991 18.775 -37.537 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.291 19.386 -39.448 1.00 55.51 H new ATOM 0 HE1 HIS A 141 22.133 20.781 -41.912 1.00 43.34 H new ATOM 0 HE2 HIS A 141 24.621 20.247 -41.815 1.00 1.53 H new ATOM 1176 N GLU A 142 20.562 20.967 -36.946 1.00 21.22 N ATOM 1177 CA GLU A 142 19.399 21.781 -37.283 1.00 60.01 C ATOM 1178 C GLU A 142 19.381 23.069 -36.464 1.00 12.12 C ATOM 1179 O GLU A 142 18.985 24.124 -36.957 1.00 65.25 O ATOM 1180 CB GLU A 142 18.110 20.992 -37.043 1.00 0.33 C ATOM 1181 CG GLU A 142 18.021 19.710 -37.852 1.00 13.53 C ATOM 1182 CD GLU A 142 16.636 19.474 -38.421 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.670 20.068 -37.898 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.518 18.696 -39.391 1.00 0.23 O1- ATOM 0 H GLU A 142 20.341 20.016 -36.650 1.00 21.22 H new ATOM 0 HA GLU A 142 19.464 22.043 -38.339 1.00 60.01 H new ATOM 0 HB2 GLU A 142 18.035 20.749 -35.983 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.256 21.625 -37.286 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.743 19.749 -38.668 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.299 18.866 -37.220 1.00 13.53 H new ATOM 1191 N ARG A 143 19.812 22.972 -35.211 1.00 11.21 N ATOM 1192 CA ARG A 143 19.843 24.127 -34.322 1.00 60.32 C ATOM 1193 C ARG A 143 20.866 25.153 -34.801 1.00 61.53 C ATOM 1194 O ARG A 143 20.673 26.360 -34.641 1.00 4.22 O ATOM 1195 CB ARG A 143 20.174 23.691 -32.894 1.00 31.13 C ATOM 1196 CG ARG A 143 18.986 23.110 -32.144 1.00 61.33 C ATOM 1197 CD ARG A 143 18.934 23.612 -30.709 1.00 34.34 C ATOM 1198 NE ARG A 143 18.542 25.017 -30.634 1.00 43.43 N ATOM 1199 CZ ARG A 143 18.077 25.593 -29.531 1.00 42.24 C ATOM 1200 NH1 ARG A 143 17.946 24.887 -28.417 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 17.741 26.876 -29.542 1.00 72.21 N ATOM 0 H ARG A 143 20.145 22.105 -34.788 1.00 11.21 H new ATOM 0 HA ARG A 143 18.856 24.589 -34.333 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.972 22.949 -32.925 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.558 24.548 -32.341 1.00 31.13 H new ATOM 0 HG2 ARG A 143 18.063 23.378 -32.658 1.00 61.33 H new ATOM 0 HG3 ARG A 143 19.048 22.022 -32.148 1.00 61.33 H new ATOM 0 HD2 ARG A 143 18.228 23.008 -30.139 1.00 34.34 H new ATOM 0 HD3 ARG A 143 19.912 23.483 -30.244 1.00 34.34 H new ATOM 0 HE ARG A 143 18.630 25.587 -31.475 1.00 43.43 H new ATOM 0 HH11 ARG A 143 18.202 23.900 -28.406 1.00 31.10 H new ATOM 0 HH12 ARG A 143 17.589 25.331 -27.571 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.839 27.422 -30.398 1.00 72.21 H new ATOM 0 HH22 ARG A 143 17.384 27.317 -28.694 1.00 72.21 H new ATOM 1215 N LEU A 144 21.953 24.667 -35.389 1.00 51.52 N ATOM 1216 CA LEU A 144 23.007 25.541 -35.892 1.00 34.24 C ATOM 1217 C LEU A 144 22.495 26.410 -37.037 1.00 61.12 C ATOM 1218 O LEU A 144 22.881 27.570 -37.168 1.00 51.43 O ATOM 1219 CB LEU A 144 24.204 24.712 -36.361 1.00 61.43 C ATOM 1220 CG LEU A 144 25.413 25.504 -36.860 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.261 25.980 -35.690 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.246 24.659 -37.814 1.00 54.33 C ATOM 0 H LEU A 144 22.128 23.672 -35.529 1.00 51.52 H new ATOM 0 HA LEU A 144 23.322 26.194 -35.078 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.526 24.076 -35.536 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.872 24.051 -37.162 1.00 61.43 H new ATOM 0 HG LEU A 144 25.052 26.379 -37.400 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.116 26.542 -36.065 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.662 26.621 -35.043 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.613 25.119 -35.122 1.00 42.11 H new ATOM 0 HD21 LEU A 144 27.102 25.238 -38.160 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.597 23.766 -37.297 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.636 24.368 -38.669 1.00 54.33 H new ATOM 1234 N GLN A 145 21.623 25.838 -37.861 1.00 51.00 N ATOM 1235 CA GLN A 145 21.056 26.561 -38.993 1.00 12.25 C ATOM 1236 C GLN A 145 19.616 26.975 -38.710 1.00 12.51 C ATOM 1237 O GLN A 145 18.777 26.998 -39.611 1.00 14.40 O ATOM 1238 CB GLN A 145 21.113 25.699 -40.255 1.00 54.30 C ATOM 1239 CG GLN A 145 22.490 25.120 -40.535 1.00 44.02 C ATOM 1240 CD GLN A 145 22.652 23.713 -39.995 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.694 22.942 -39.940 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.870 23.369 -39.594 1.00 40.43 N ATOM 0 H GLN A 145 21.294 24.877 -37.766 1.00 51.00 H new ATOM 0 HA GLN A 145 21.649 27.462 -39.150 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.397 24.882 -40.160 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.800 26.299 -41.109 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.666 25.115 -41.611 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.248 25.765 -40.091 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.636 24.039 -39.657 1.00 40.43 H new ATOM 0 HE22 GLN A 145 24.040 22.434 -39.223 1.00 40.43 H new ATOM 1251 N ALA A 146 19.336 27.302 -37.453 1.00 25.41 N ATOM 1252 CA ALA A 146 17.997 27.717 -37.051 1.00 61.13 C ATOM 1253 C ALA A 146 17.852 29.234 -37.110 1.00 43.10 C ATOM 1254 O ALA A 146 16.807 29.753 -37.504 1.00 53.12 O ATOM 1255 CB ALA A 146 17.685 27.209 -35.652 1.00 73.03 C ATOM 0 H ALA A 146 20.018 27.288 -36.695 1.00 25.41 H new ATOM 0 HA ALA A 146 17.283 27.282 -37.751 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.682 27.526 -35.365 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.739 26.120 -35.640 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.410 27.616 -34.947 1.00 73.03 H new ATOM 1261 N LEU A 147 18.906 29.940 -36.717 1.00 64.13 N ATOM 1262 CA LEU A 147 18.896 31.400 -36.724 1.00 53.53 C ATOM 1263 C LEU A 147 19.511 31.942 -38.010 1.00 25.45 C ATOM 1264 O LEU A 147 19.067 32.979 -38.499 1.00 52.04 O ATOM 1265 CB LEU A 147 19.657 31.941 -35.513 1.00 12.24 C ATOM 1266 CG LEU A 147 18.869 32.020 -34.205 1.00 10.30 C ATOM 1267 CD1 LEU A 147 19.794 31.839 -33.011 1.00 75.04 C ATOM 1268 CD2 LEU A 147 18.126 33.344 -34.110 1.00 34.23 C ATOM 0 H LEU A 147 19.779 29.526 -36.389 1.00 64.13 H new ATOM 0 HA LEU A 147 17.859 31.732 -36.671 1.00 53.53 H new ATOM 0 HB2 LEU A 147 20.532 31.313 -35.349 1.00 12.24 H new ATOM 0 HB3 LEU A 147 20.022 32.939 -35.755 1.00 12.24 H new ATOM 0 HG LEU A 147 18.137 31.213 -34.196 1.00 10.30 H new ATOM 0 HD11 LEU A 147 19.215 31.898 -32.090 1.00 75.04 H new ATOM 0 HD12 LEU A 147 20.280 30.865 -33.072 1.00 75.04 H new ATOM 0 HD13 LEU A 147 20.551 32.623 -33.015 1.00 75.04 H new ATOM 0 HD21 LEU A 147 17.571 33.383 -33.173 1.00 34.23 H new ATOM 0 HD22 LEU A 147 18.841 34.166 -34.142 1.00 34.23 H new ATOM 0 HD23 LEU A 147 17.433 33.433 -34.947 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 50.465 34.087 -62.940 1.00 21.13 N ATOM 1282 CA HIS B 518 49.186 34.235 -62.255 1.00 35.22 C ATOM 1283 C HIS B 518 49.379 34.853 -60.873 1.00 35.13 C ATOM 1284 O HIS B 518 50.020 34.264 -60.003 1.00 13.03 O ATOM 1285 CB HIS B 518 48.491 32.878 -62.128 1.00 50.40 C ATOM 1286 CG HIS B 518 47.848 32.414 -63.398 1.00 11.31 C ATOM 1287 ND1 HIS B 518 46.606 31.818 -63.439 1.00 51.44 N ATOM 1288 CD2 HIS B 518 48.281 32.461 -64.680 1.00 52.22 C ATOM 1289 CE1 HIS B 518 46.303 31.518 -64.688 1.00 51.12 C ATOM 1290 NE2 HIS B 518 47.304 31.899 -65.462 1.00 12.11 N ATOM 0 HA HIS B 518 48.559 34.901 -62.847 1.00 35.22 H new ATOM 0 HB2 HIS B 518 49.220 32.134 -61.807 1.00 50.40 H new ATOM 0 HB3 HIS B 518 47.733 32.939 -61.347 1.00 50.40 H new ATOM 0 HD2 HIS B 518 49.221 32.866 -65.023 1.00 52.22 H new ATOM 0 HE1 HIS B 518 45.392 31.042 -65.021 1.00 51.12 H new ATOM 0 HE2 HIS B 518 47.344 31.793 -66.476 1.00 12.11 H new ATOM 1299 N MET B 519 48.818 36.042 -60.679 1.00 20.22 N ATOM 1300 CA MET B 519 48.928 36.739 -59.403 1.00 45.23 C ATOM 1301 C MET B 519 47.584 37.330 -58.989 1.00 50.30 C ATOM 1302 O MET B 519 46.723 37.585 -59.830 1.00 40.52 O ATOM 1303 CB MET B 519 49.981 37.845 -59.491 1.00 3.13 C ATOM 1304 CG MET B 519 50.994 37.811 -58.358 1.00 31.34 C ATOM 1305 SD MET B 519 52.100 36.390 -58.459 1.00 5.43 S ATOM 1306 CE MET B 519 53.659 37.141 -57.996 1.00 34.34 C ATOM 0 H MET B 519 48.283 36.543 -61.389 1.00 20.22 H new ATOM 0 HA MET B 519 49.234 36.016 -58.647 1.00 45.23 H new ATOM 0 HB2 MET B 519 50.508 37.759 -60.441 1.00 3.13 H new ATOM 0 HB3 MET B 519 49.480 38.813 -59.491 1.00 3.13 H new ATOM 0 HG2 MET B 519 51.584 38.728 -58.375 1.00 31.34 H new ATOM 0 HG3 MET B 519 50.466 37.789 -57.404 1.00 31.34 H new ATOM 0 HE1 MET B 519 54.445 36.386 -58.012 1.00 34.34 H new ATOM 0 HE2 MET B 519 53.904 37.935 -58.701 1.00 34.34 H new ATOM 0 HE3 MET B 519 53.578 37.559 -56.993 1.00 34.34 H new ATOM 1316 N ASP B 520 47.413 37.546 -57.690 1.00 74.23 N ATOM 1317 CA ASP B 520 46.174 38.108 -57.165 1.00 31.44 C ATOM 1318 C ASP B 520 45.899 39.480 -57.773 1.00 44.32 C ATOM 1319 O ASP B 520 46.802 40.165 -58.255 1.00 1.42 O ATOM 1320 CB ASP B 520 46.245 38.218 -55.640 1.00 25.13 C ATOM 1321 CG ASP B 520 47.588 38.728 -55.158 1.00 32.35 C ATOM 1322 OD1 ASP B 520 48.363 37.923 -54.600 1.00 72.23 O ATOM 1323 OD2 ASP B 520 47.865 39.932 -55.339 1.00 3.02 O1- ATOM 0 H ASP B 520 48.117 37.341 -56.981 1.00 74.23 H new ATOM 0 HA ASP B 520 45.357 37.439 -57.436 1.00 31.44 H new ATOM 0 HB2 ASP B 520 45.459 38.887 -55.290 1.00 25.13 H new ATOM 0 HB3 ASP B 520 46.051 37.240 -55.199 1.00 25.13 H new ATOM 1328 N PRO B 521 44.623 39.891 -57.754 1.00 54.32 N ATOM 1329 CA PRO B 521 44.199 41.184 -58.300 1.00 73.43 C ATOM 1330 C PRO B 521 44.694 42.359 -57.461 1.00 14.40 C ATOM 1331 O PRO B 521 45.236 43.328 -57.992 1.00 3.11 O ATOM 1332 CB PRO B 521 42.671 41.104 -58.258 1.00 34.25 C ATOM 1333 CG PRO B 521 42.373 40.127 -57.172 1.00 74.43 C ATOM 1334 CD PRO B 521 43.495 39.127 -57.194 1.00 2.40 C ATOM 0 HA PRO B 521 44.603 41.357 -59.297 1.00 73.43 H new ATOM 0 HB2 PRO B 521 42.229 42.078 -58.047 1.00 34.25 H new ATOM 0 HB3 PRO B 521 42.265 40.770 -59.213 1.00 34.25 H new ATOM 0 HG2 PRO B 521 42.314 40.625 -56.204 1.00 74.43 H new ATOM 0 HG3 PRO B 521 41.413 39.639 -57.339 1.00 74.43 H new ATOM 0 HD2 PRO B 521 43.720 38.753 -56.195 1.00 2.40 H new ATOM 0 HD3 PRO B 521 43.250 38.262 -57.810 1.00 2.40 H new ATOM 1342 N LEU B 522 44.503 42.264 -56.150 1.00 1.11 N ATOM 1343 CA LEU B 522 44.930 43.319 -55.237 1.00 75.22 C ATOM 1344 C LEU B 522 44.775 42.878 -53.785 1.00 30.33 C ATOM 1345 O LEU B 522 44.349 41.757 -53.506 1.00 4.43 O ATOM 1346 CB LEU B 522 44.122 44.594 -55.485 1.00 22.31 C ATOM 1347 CG LEU B 522 42.633 44.521 -55.140 1.00 23.42 C ATOM 1348 CD1 LEU B 522 42.382 45.061 -53.742 1.00 31.54 C ATOM 1349 CD2 LEU B 522 41.812 45.289 -56.166 1.00 64.43 C ATOM 0 H LEU B 522 44.056 41.468 -55.695 1.00 1.11 H new ATOM 0 HA LEU B 522 45.984 43.523 -55.424 1.00 75.22 H new ATOM 0 HB2 LEU B 522 44.570 45.402 -54.907 1.00 22.31 H new ATOM 0 HB3 LEU B 522 44.218 44.863 -56.537 1.00 22.31 H new ATOM 0 HG LEU B 522 42.324 43.476 -55.164 1.00 23.42 H new ATOM 0 HD11 LEU B 522 41.318 45.001 -53.514 1.00 31.54 H new ATOM 0 HD12 LEU B 522 42.942 44.470 -53.018 1.00 31.54 H new ATOM 0 HD13 LEU B 522 42.706 46.100 -53.690 1.00 31.54 H new ATOM 0 HD21 LEU B 522 40.755 45.227 -55.906 1.00 64.43 H new ATOM 0 HD22 LEU B 522 42.124 46.334 -56.173 1.00 64.43 H new ATOM 0 HD23 LEU B 522 41.969 44.857 -57.154 1.00 64.43 H new ATOM 1361 N THR B 523 45.123 43.769 -52.861 1.00 53.05 N ATOM 1362 CA THR B 523 45.021 43.473 -51.437 1.00 40.25 C ATOM 1363 C THR B 523 43.925 44.303 -50.781 1.00 12.10 C ATOM 1364 O THR B 523 44.125 45.461 -50.412 1.00 20.21 O ATOM 1365 CB THR B 523 46.354 43.737 -50.713 1.00 32.04 C ATOM 1366 OG1 THR B 523 46.160 43.678 -49.295 1.00 63.35 O ATOM 1367 CG2 THR B 523 46.918 45.097 -51.096 1.00 73.11 C ATOM 0 H THR B 523 45.478 44.701 -53.074 1.00 53.05 H new ATOM 0 HA THR B 523 44.772 42.415 -51.350 1.00 40.25 H new ATOM 0 HB THR B 523 47.065 42.968 -51.015 1.00 32.04 H new ATOM 0 HG1 THR B 523 47.012 43.845 -48.841 1.00 63.35 H new ATOM 0 HG21 THR B 523 47.860 45.261 -50.572 1.00 73.11 H new ATOM 0 HG22 THR B 523 47.091 45.129 -52.172 1.00 73.11 H new ATOM 0 HG23 THR B 523 46.208 45.876 -50.819 1.00 73.11 H new ATOM 1375 N PRO B 524 42.736 43.701 -50.628 1.00 61.23 N ATOM 1376 CA PRO B 524 41.584 44.367 -50.014 1.00 21.31 C ATOM 1377 C PRO B 524 41.773 44.588 -48.517 1.00 11.10 C ATOM 1378 O PRO B 524 42.851 44.343 -47.975 1.00 65.14 O ATOM 1379 CB PRO B 524 40.432 43.390 -50.268 1.00 71.15 C ATOM 1380 CG PRO B 524 41.088 42.060 -50.409 1.00 14.31 C ATOM 1381 CD PRO B 524 42.425 42.323 -51.044 1.00 21.34 C ATOM 0 HA PRO B 524 41.418 45.361 -50.430 1.00 21.31 H new ATOM 0 HB2 PRO B 524 39.720 43.395 -49.443 1.00 71.15 H new ATOM 0 HB3 PRO B 524 39.878 43.656 -51.169 1.00 71.15 H new ATOM 0 HG2 PRO B 524 41.205 41.578 -49.439 1.00 14.31 H new ATOM 0 HG3 PRO B 524 40.487 41.392 -51.026 1.00 14.31 H new ATOM 0 HD2 PRO B 524 43.180 41.618 -50.696 1.00 21.34 H new ATOM 0 HD3 PRO B 524 42.379 42.232 -52.129 1.00 21.34 H new ATOM 1389 N ASP B 525 40.719 45.051 -47.854 1.00 31.30 N ATOM 1390 CA ASP B 525 40.770 45.305 -46.418 1.00 51.41 C ATOM 1391 C ASP B 525 41.222 44.060 -45.663 1.00 61.44 C ATOM 1392 O ASP B 525 40.534 43.039 -45.659 1.00 70.22 O ATOM 1393 CB ASP B 525 39.399 45.755 -45.910 1.00 53.22 C ATOM 1394 CG ASP B 525 39.496 46.607 -44.660 1.00 74.23 C ATOM 1395 OD1 ASP B 525 38.950 46.194 -43.617 1.00 15.03 O ATOM 1396 OD2 ASP B 525 40.119 47.688 -44.726 1.00 4.21 O1- ATOM 0 H ASP B 525 39.819 45.258 -48.287 1.00 31.30 H new ATOM 0 HA ASP B 525 41.494 46.100 -46.239 1.00 51.41 H new ATOM 0 HB2 ASP B 525 38.892 46.320 -46.693 1.00 53.22 H new ATOM 0 HB3 ASP B 525 38.786 44.878 -45.702 1.00 53.22 H new ATOM 1401 N ALA B 526 42.384 44.151 -45.024 1.00 64.40 N ATOM 1402 CA ALA B 526 42.928 43.032 -44.264 1.00 74.21 C ATOM 1403 C ALA B 526 43.935 43.512 -43.223 1.00 60.43 C ATOM 1404 O ALA B 526 45.071 43.851 -43.556 1.00 3.51 O ATOM 1405 CB ALA B 526 43.574 42.023 -45.200 1.00 22.02 C ATOM 0 H ALA B 526 42.967 44.988 -45.018 1.00 64.40 H new ATOM 0 HA ALA B 526 42.105 42.548 -43.738 1.00 74.21 H new ATOM 0 HB1 ALA B 526 43.976 41.193 -44.619 1.00 22.02 H new ATOM 0 HB2 ALA B 526 42.828 41.648 -45.901 1.00 22.02 H new ATOM 0 HB3 ALA B 526 44.382 42.504 -45.752 1.00 22.02 H new ATOM 1411 N SER B 527 43.510 43.542 -41.965 1.00 22.23 N ATOM 1412 CA SER B 527 44.372 43.985 -40.877 1.00 10.42 C ATOM 1413 C SER B 527 45.094 45.278 -41.248 1.00 55.23 C ATOM 1414 O SER B 527 46.241 45.254 -41.694 1.00 74.31 O ATOM 1415 CB SER B 527 45.393 42.900 -40.532 1.00 54.03 C ATOM 1416 OG SER B 527 45.863 42.251 -41.701 1.00 33.11 O ATOM 0 H SER B 527 42.573 43.264 -41.674 1.00 22.23 H new ATOM 0 HA SER B 527 43.746 44.175 -40.005 1.00 10.42 H new ATOM 0 HB2 SER B 527 46.232 43.343 -39.996 1.00 54.03 H new ATOM 0 HB3 SER B 527 44.939 42.168 -39.864 1.00 54.03 H new ATOM 0 HG SER B 527 46.118 42.922 -42.368 1.00 33.11 H new ATOM 1422 N GLU B 528 44.413 46.403 -41.061 1.00 34.44 N ATOM 1423 CA GLU B 528 44.988 47.706 -41.377 1.00 70.03 C ATOM 1424 C GLU B 528 45.590 48.351 -40.132 1.00 45.40 C ATOM 1425 O GLU B 528 46.811 48.419 -39.985 1.00 23.21 O ATOM 1426 CB GLU B 528 43.924 48.626 -41.978 1.00 24.51 C ATOM 1427 CG GLU B 528 44.402 50.053 -42.189 1.00 63.11 C ATOM 1428 CD GLU B 528 45.656 50.127 -43.039 1.00 25.14 C ATOM 1429 OE1 GLU B 528 45.672 49.520 -44.130 1.00 15.45 O ATOM 1430 OE2 GLU B 528 46.622 50.794 -42.612 1.00 52.05 O1- ATOM 0 H GLU B 528 43.463 46.439 -40.692 1.00 34.44 H new ATOM 0 HA GLU B 528 45.783 47.556 -42.108 1.00 70.03 H new ATOM 0 HB2 GLU B 528 43.599 48.216 -42.934 1.00 24.51 H new ATOM 0 HB3 GLU B 528 43.053 48.637 -41.323 1.00 24.51 H new ATOM 0 HG2 GLU B 528 43.610 50.631 -42.665 1.00 63.11 H new ATOM 0 HG3 GLU B 528 44.596 50.515 -41.221 1.00 63.11 H new ATOM 1437 N SER B 529 44.725 48.823 -39.241 1.00 24.10 N ATOM 1438 CA SER B 529 45.170 49.467 -38.010 1.00 74.23 C ATOM 1439 C SER B 529 45.119 48.494 -36.838 1.00 3.40 C ATOM 1440 O SER B 529 44.796 48.875 -35.712 1.00 61.24 O ATOM 1441 CB SER B 529 44.305 50.692 -37.709 1.00 63.34 C ATOM 1442 OG SER B 529 45.040 51.673 -36.997 1.00 34.34 O ATOM 0 H SER B 529 43.712 48.772 -39.348 1.00 24.10 H new ATOM 0 HA SER B 529 46.203 49.786 -38.149 1.00 74.23 H new ATOM 0 HB2 SER B 529 43.934 51.117 -38.642 1.00 63.34 H new ATOM 0 HB3 SER B 529 43.434 50.392 -37.127 1.00 63.34 H new ATOM 0 HG SER B 529 44.465 52.446 -36.818 1.00 34.34 H new ATOM 1448 N VAL B 530 45.438 47.232 -37.110 1.00 34.03 N ATOM 1449 CA VAL B 530 45.428 46.202 -36.078 1.00 72.15 C ATOM 1450 C VAL B 530 46.830 45.649 -35.841 1.00 13.35 C ATOM 1451 O VAL B 530 47.620 45.514 -36.773 1.00 62.34 O ATOM 1452 CB VAL B 530 44.489 45.041 -36.452 1.00 51.23 C ATOM 1453 CG1 VAL B 530 44.518 43.962 -35.380 1.00 75.24 C ATOM 1454 CG2 VAL B 530 43.072 45.551 -36.666 1.00 2.14 C ATOM 0 H VAL B 530 45.706 46.899 -38.036 1.00 34.03 H new ATOM 0 HA VAL B 530 45.065 46.673 -35.164 1.00 72.15 H new ATOM 0 HB VAL B 530 44.839 44.601 -37.386 1.00 51.23 H new ATOM 0 HG11 VAL B 530 43.848 43.150 -35.663 1.00 75.24 H new ATOM 0 HG12 VAL B 530 45.533 43.577 -35.279 1.00 75.24 H new ATOM 0 HG13 VAL B 530 44.194 44.385 -34.429 1.00 75.24 H new ATOM 0 HG21 VAL B 530 42.421 44.717 -36.930 1.00 2.14 H new ATOM 0 HG22 VAL B 530 42.711 46.017 -35.749 1.00 2.14 H new ATOM 0 HG23 VAL B 530 43.067 46.284 -37.472 1.00 2.14 H new ATOM 1464 N ASN B 531 47.131 45.332 -34.586 1.00 50.32 N ATOM 1465 CA ASN B 531 48.437 44.794 -34.225 1.00 54.32 C ATOM 1466 C ASN B 531 48.519 43.305 -34.544 1.00 34.52 C ATOM 1467 O ASN B 531 47.560 42.562 -34.340 1.00 34.23 O ATOM 1468 CB ASN B 531 48.714 45.025 -32.737 1.00 1.55 C ATOM 1469 CG ASN B 531 47.636 44.433 -31.850 1.00 54.25 C ATOM 1470 OD1 ASN B 531 47.527 43.214 -31.716 1.00 63.14 O ATOM 1471 ND2 ASN B 531 46.833 45.296 -31.241 1.00 21.12 N ATOM 0 H ASN B 531 46.488 45.439 -33.802 1.00 50.32 H new ATOM 0 HA ASN B 531 49.192 45.315 -34.813 1.00 54.32 H new ATOM 0 HB2 ASN B 531 49.677 44.585 -32.477 1.00 1.55 H new ATOM 0 HB3 ASN B 531 48.790 46.095 -32.546 1.00 1.55 H new ATOM 0 HD21 ASN B 531 46.088 44.957 -30.632 1.00 21.12 H new ATOM 0 HD22 ASN B 531 46.961 46.298 -31.382 1.00 21.12 H new ATOM 1478 N ASN B 532 49.673 42.875 -35.046 1.00 22.22 N ATOM 1479 CA ASN B 532 49.880 41.474 -35.393 1.00 1.42 C ATOM 1480 C ASN B 532 51.298 41.031 -35.044 1.00 44.13 C ATOM 1481 O ASN B 532 52.174 41.860 -34.798 1.00 32.50 O ATOM 1482 CB ASN B 532 49.618 41.252 -36.883 1.00 52.44 C ATOM 1483 CG ASN B 532 49.047 39.877 -37.173 1.00 72.53 C ATOM 1484 OD1 ASN B 532 47.876 39.611 -36.902 1.00 72.51 O ATOM 1485 ND2 ASN B 532 49.874 38.997 -37.723 1.00 42.51 N ATOM 0 H ASN B 532 50.478 43.477 -35.221 1.00 22.22 H new ATOM 0 HA ASN B 532 49.177 40.875 -34.814 1.00 1.42 H new ATOM 0 HB2 ASN B 532 48.926 42.013 -37.244 1.00 52.44 H new ATOM 0 HB3 ASN B 532 50.549 41.379 -37.435 1.00 52.44 H new ATOM 0 HD21 ASN B 532 49.547 38.055 -37.939 1.00 42.51 H new ATOM 0 HD22 ASN B 532 50.837 39.262 -37.930 1.00 42.51 H new ATOM 1492 N ILE B 533 51.515 39.721 -35.024 1.00 4.31 N ATOM 1493 CA ILE B 533 52.826 39.169 -34.707 1.00 60.32 C ATOM 1494 C ILE B 533 53.110 37.918 -35.532 1.00 54.13 C ATOM 1495 O ILE B 533 52.309 37.526 -36.383 1.00 12.31 O ATOM 1496 CB ILE B 533 52.943 38.820 -33.212 1.00 51.21 C ATOM 1497 CG1 ILE B 533 51.869 37.805 -32.815 1.00 70.53 C ATOM 1498 CG2 ILE B 533 52.828 40.079 -32.364 1.00 41.24 C ATOM 1499 CD1 ILE B 533 50.559 38.441 -32.405 1.00 11.24 C ATOM 0 H ILE B 533 50.800 39.022 -35.224 1.00 4.31 H new ATOM 0 HA ILE B 533 53.559 39.938 -34.952 1.00 60.32 H new ATOM 0 HB ILE B 533 53.921 38.373 -33.035 1.00 51.21 H new ATOM 0 HG12 ILE B 533 51.690 37.131 -33.653 1.00 70.53 H new ATOM 0 HG13 ILE B 533 52.242 37.197 -31.991 1.00 70.53 H new ATOM 0 HG21 ILE B 533 52.913 39.816 -31.309 1.00 41.24 H new ATOM 0 HG22 ILE B 533 53.626 40.771 -32.631 1.00 41.24 H new ATOM 0 HG23 ILE B 533 51.863 40.552 -32.544 1.00 41.24 H new ATOM 0 HD11 ILE B 533 49.845 37.662 -32.137 1.00 11.24 H new ATOM 0 HD12 ILE B 533 50.724 39.093 -31.547 1.00 11.24 H new ATOM 0 HD13 ILE B 533 50.163 39.026 -33.235 1.00 11.24 H new ATOM 1511 N LEU B 534 54.253 37.293 -35.274 1.00 4.44 N ATOM 1512 CA LEU B 534 54.644 36.084 -35.992 1.00 61.11 C ATOM 1513 C LEU B 534 53.522 35.051 -35.968 1.00 32.54 C ATOM 1514 O LEU B 534 52.541 35.199 -35.237 1.00 62.31 O ATOM 1515 CB LEU B 534 55.913 35.490 -35.378 1.00 2.04 C ATOM 1516 CG LEU B 534 55.739 34.774 -34.039 1.00 60.34 C ATOM 1517 CD1 LEU B 534 54.854 35.590 -33.109 1.00 34.13 C ATOM 1518 CD2 LEU B 534 55.157 33.384 -34.248 1.00 61.30 C ATOM 0 H LEU B 534 54.926 37.603 -34.573 1.00 4.44 H new ATOM 0 HA LEU B 534 54.842 36.355 -37.029 1.00 61.11 H new ATOM 0 HB2 LEU B 534 56.342 34.786 -36.091 1.00 2.04 H new ATOM 0 HB3 LEU B 534 56.639 36.292 -35.246 1.00 2.04 H new ATOM 0 HG LEU B 534 56.720 34.669 -33.575 1.00 60.34 H new ATOM 0 HD11 LEU B 534 54.741 35.065 -32.161 1.00 34.13 H new ATOM 0 HD12 LEU B 534 55.312 36.563 -32.933 1.00 34.13 H new ATOM 0 HD13 LEU B 534 53.874 35.727 -33.567 1.00 34.13 H new ATOM 0 HD21 LEU B 534 55.040 32.890 -33.284 1.00 61.30 H new ATOM 0 HD22 LEU B 534 54.185 33.466 -34.734 1.00 61.30 H new ATOM 0 HD23 LEU B 534 55.828 32.799 -34.877 1.00 61.30 H new ATOM 1530 N LYS B 535 53.672 34.002 -36.770 1.00 14.02 N ATOM 1531 CA LYS B 535 52.676 32.941 -36.839 1.00 64.31 C ATOM 1532 C LYS B 535 53.340 31.579 -37.009 1.00 72.41 C ATOM 1533 O LYS B 535 54.483 31.489 -37.458 1.00 14.31 O ATOM 1534 CB LYS B 535 51.708 33.196 -37.996 1.00 54.24 C ATOM 1535 CG LYS B 535 50.535 34.087 -37.624 1.00 50.42 C ATOM 1536 CD LYS B 535 49.346 33.855 -38.541 1.00 13.13 C ATOM 1537 CE LYS B 535 48.672 32.522 -38.256 1.00 52.33 C ATOM 1538 NZ LYS B 535 47.590 32.653 -37.242 1.00 62.51 N1+ ATOM 0 H LYS B 535 54.476 33.865 -37.382 1.00 14.02 H new ATOM 0 HA LYS B 535 52.120 32.939 -35.901 1.00 64.31 H new ATOM 0 HB2 LYS B 535 52.254 33.654 -38.821 1.00 54.24 H new ATOM 0 HB3 LYS B 535 51.327 32.241 -38.357 1.00 54.24 H new ATOM 0 HG2 LYS B 535 50.243 33.893 -36.592 1.00 50.42 H new ATOM 0 HG3 LYS B 535 50.839 35.132 -37.679 1.00 50.42 H new ATOM 0 HD2 LYS B 535 48.625 34.663 -38.414 1.00 13.13 H new ATOM 0 HD3 LYS B 535 49.676 33.882 -39.580 1.00 13.13 H new ATOM 0 HE2 LYS B 535 48.257 32.120 -39.180 1.00 52.33 H new ATOM 0 HE3 LYS B 535 49.416 31.807 -37.903 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 47.156 31.723 -37.076 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 47.990 33.012 -36.352 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 46.867 33.315 -37.589 1.00 62.51 H new ATOM 1552 N GLN B 536 52.617 30.523 -36.650 1.00 24.12 N ATOM 1553 CA GLN B 536 53.139 29.166 -36.766 1.00 22.34 C ATOM 1554 C GLN B 536 52.008 28.165 -36.979 1.00 62.32 C ATOM 1555 O GLN B 536 50.838 28.540 -37.044 1.00 50.41 O ATOM 1556 CB GLN B 536 53.935 28.795 -35.513 1.00 51.31 C ATOM 1557 CG GLN B 536 55.103 29.727 -35.235 1.00 35.41 C ATOM 1558 CD GLN B 536 55.964 29.257 -34.079 1.00 30.51 C ATOM 1559 OE1 GLN B 536 57.062 28.738 -34.280 1.00 45.21 O ATOM 1560 NE2 GLN B 536 55.468 29.436 -32.861 1.00 61.41 N ATOM 0 H GLN B 536 51.669 30.581 -36.277 1.00 24.12 H new ATOM 0 HA GLN B 536 53.800 29.130 -37.632 1.00 22.34 H new ATOM 0 HB2 GLN B 536 53.265 28.799 -34.653 1.00 51.31 H new ATOM 0 HB3 GLN B 536 54.311 27.777 -35.620 1.00 51.31 H new ATOM 0 HG2 GLN B 536 55.718 29.809 -36.131 1.00 35.41 H new ATOM 0 HG3 GLN B 536 54.722 30.725 -35.017 1.00 35.41 H new ATOM 0 HE21 GLN B 536 54.553 29.871 -32.742 1.00 61.41 H new ATOM 0 HE22 GLN B 536 56.002 29.139 -32.044 1.00 61.41 H new ATOM 1569 N SER B 537 52.367 26.890 -37.088 1.00 14.31 N ATOM 1570 CA SER B 537 51.383 25.835 -37.300 1.00 14.23 C ATOM 1571 C SER B 537 52.043 24.459 -37.258 1.00 74.01 C ATOM 1572 O SER B 537 53.268 24.347 -37.248 1.00 11.11 O ATOM 1573 CB SER B 537 50.673 26.031 -38.641 1.00 13.52 C ATOM 1574 OG SER B 537 49.686 25.036 -38.846 1.00 64.54 O ATOM 0 H SER B 537 53.331 26.563 -37.033 1.00 14.31 H new ATOM 0 HA SER B 537 50.649 25.892 -36.497 1.00 14.23 H new ATOM 0 HB2 SER B 537 50.211 27.018 -38.670 1.00 13.52 H new ATOM 0 HB3 SER B 537 51.402 25.996 -39.450 1.00 13.52 H new ATOM 0 HG SER B 537 49.246 25.185 -39.709 1.00 64.54 H new ATOM 1580 N GLY B 538 51.220 23.416 -37.233 1.00 40.34 N ATOM 1581 CA GLY B 538 51.740 22.062 -37.192 1.00 13.30 C ATOM 1582 C GLY B 538 51.127 21.238 -36.076 1.00 44.23 C ATOM 1583 O GLY B 538 51.256 21.579 -34.901 1.00 4.52 O ATOM 0 H GLY B 538 50.202 23.484 -37.240 1.00 40.34 H new ATOM 0 HA2 GLY B 538 51.548 21.574 -38.147 1.00 13.30 H new ATOM 0 HA3 GLY B 538 52.822 22.095 -37.063 1.00 13.30 H new ATOM 1587 N ALA B 539 50.456 20.152 -36.446 1.00 15.34 N ATOM 1588 CA ALA B 539 49.821 19.277 -35.468 1.00 61.14 C ATOM 1589 C ALA B 539 49.450 17.935 -36.091 1.00 52.01 C ATOM 1590 O ALA B 539 49.394 17.802 -37.313 1.00 53.15 O ATOM 1591 CB ALA B 539 48.587 19.948 -34.883 1.00 63.32 C ATOM 0 H ALA B 539 50.338 19.857 -37.415 1.00 15.34 H new ATOM 0 HA ALA B 539 50.535 19.091 -34.666 1.00 61.14 H new ATOM 0 HB1 ALA B 539 48.123 19.284 -34.154 1.00 63.32 H new ATOM 0 HB2 ALA B 539 48.876 20.878 -34.394 1.00 63.32 H new ATOM 0 HB3 ALA B 539 47.877 20.164 -35.681 1.00 63.32 H new ATOM 1597 N TRP B 540 49.199 16.944 -35.242 1.00 64.23 N ATOM 1598 CA TRP B 540 48.835 15.613 -35.711 1.00 74.22 C ATOM 1599 C TRP B 540 47.480 15.190 -35.153 1.00 14.34 C ATOM 1600 O TRP B 540 47.236 15.290 -33.950 1.00 54.13 O ATOM 1601 CB TRP B 540 49.905 14.596 -35.306 1.00 74.04 C ATOM 1602 CG TRP B 540 51.303 15.103 -35.490 1.00 15.41 C ATOM 1603 CD1 TRP B 540 51.760 15.902 -36.498 1.00 11.20 C ATOM 1604 CD2 TRP B 540 52.427 14.841 -34.642 1.00 44.12 C ATOM 1605 NE1 TRP B 540 53.100 16.154 -36.329 1.00 30.21 N ATOM 1606 CE2 TRP B 540 53.533 15.515 -35.197 1.00 22.41 C ATOM 1607 CE3 TRP B 540 52.607 14.106 -33.468 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 54.798 15.473 -34.617 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 53.864 14.064 -32.894 1.00 24.52 C ATOM 1610 CH2 TRP B 540 54.945 14.745 -33.467 1.00 22.11 C ATOM 0 H TRP B 540 49.241 17.038 -34.227 1.00 64.23 H new ATOM 0 HA TRP B 540 48.766 15.645 -36.798 1.00 74.22 H new ATOM 0 HB2 TRP B 540 49.760 14.322 -34.261 1.00 74.04 H new ATOM 0 HB3 TRP B 540 49.775 13.688 -35.894 1.00 74.04 H new ATOM 0 HD1 TRP B 540 51.157 16.281 -37.310 1.00 11.20 H new ATOM 0 HE1 TRP B 540 53.678 16.724 -36.946 1.00 30.21 H new ATOM 0 HE3 TRP B 540 51.779 13.580 -33.017 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 55.633 15.996 -35.059 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 54.015 13.496 -31.988 1.00 24.52 H new ATOM 0 HH2 TRP B 540 55.914 14.695 -32.992 1.00 22.11 H new ATOM 1621 N SER B 541 46.601 14.721 -36.033 1.00 34.54 N ATOM 1622 CA SER B 541 45.270 14.288 -35.628 1.00 2.20 C ATOM 1623 C SER B 541 44.546 13.602 -36.783 1.00 32.22 C ATOM 1624 O SER B 541 44.947 13.722 -37.939 1.00 42.44 O ATOM 1625 CB SER B 541 44.450 15.482 -35.136 1.00 3.02 C ATOM 1626 OG SER B 541 44.523 15.606 -33.727 1.00 54.44 O ATOM 0 H SER B 541 46.788 14.631 -37.032 1.00 34.54 H new ATOM 0 HA SER B 541 45.381 13.571 -34.814 1.00 2.20 H new ATOM 0 HB2 SER B 541 44.816 16.396 -35.604 1.00 3.02 H new ATOM 0 HB3 SER B 541 43.410 15.363 -35.440 1.00 3.02 H new ATOM 0 HG SER B 541 45.457 15.530 -33.440 1.00 54.44 H new ATOM 1632 N GLY B 542 43.477 12.881 -36.458 1.00 4.53 N ATOM 1633 CA GLY B 542 42.715 12.185 -37.478 1.00 64.24 C ATOM 1634 C GLY B 542 41.383 11.679 -36.962 1.00 5.44 C ATOM 1635 O GLY B 542 40.347 11.879 -37.595 1.00 43.23 O ATOM 0 H GLY B 542 43.126 12.767 -35.507 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.544 12.855 -38.320 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.299 11.344 -37.853 1.00 64.24 H new ATOM 1639 N ASP B 543 41.410 11.018 -35.809 1.00 11.14 N ATOM 1640 CA ASP B 543 40.195 10.479 -35.208 1.00 52.52 C ATOM 1641 C ASP B 543 39.547 11.505 -34.281 1.00 13.13 C ATOM 1642 O ASP B 543 38.326 11.536 -34.132 1.00 20.02 O ATOM 1643 CB ASP B 543 40.508 9.199 -34.432 1.00 25.25 C ATOM 1644 CG ASP B 543 41.163 8.143 -35.301 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.471 7.176 -35.684 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.368 8.283 -35.598 1.00 51.20 O1- ATOM 0 H ASP B 543 42.260 10.843 -35.272 1.00 11.14 H new ATOM 0 HA ASP B 543 39.495 10.246 -36.010 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.165 9.436 -33.595 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.586 8.798 -34.010 1.00 25.25 H new ATOM 1651 N ASP B 544 40.374 12.339 -33.661 1.00 15.42 N ATOM 1652 CA ASP B 544 39.883 13.365 -32.749 1.00 51.14 C ATOM 1653 C ASP B 544 38.740 14.154 -33.382 1.00 4.23 C ATOM 1654 O ASP B 544 37.831 14.614 -32.692 1.00 2.42 O ATOM 1655 CB ASP B 544 41.016 14.313 -32.354 1.00 73.54 C ATOM 1656 CG ASP B 544 42.043 13.647 -31.458 1.00 21.23 C ATOM 1657 OD1 ASP B 544 43.059 14.297 -31.136 1.00 50.03 O ATOM 1658 OD2 ASP B 544 41.828 12.477 -31.080 1.00 63.43 O1- ATOM 0 H ASP B 544 41.388 12.325 -33.773 1.00 15.42 H new ATOM 0 HA ASP B 544 39.507 12.869 -31.854 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.508 14.681 -33.254 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.599 15.180 -31.841 1.00 73.54 H new ATOM 1663 N LYS B 545 38.795 14.306 -34.701 1.00 75.25 N ATOM 1664 CA LYS B 545 37.766 15.039 -35.430 1.00 24.24 C ATOM 1665 C LYS B 545 36.373 14.555 -35.038 1.00 33.21 C ATOM 1666 O LYS B 545 35.509 15.351 -34.668 1.00 50.14 O ATOM 1667 CB LYS B 545 37.968 14.878 -36.938 1.00 64.44 C ATOM 1668 CG LYS B 545 38.842 15.957 -37.553 1.00 54.23 C ATOM 1669 CD LYS B 545 40.306 15.756 -37.199 1.00 42.41 C ATOM 1670 CE LYS B 545 41.221 16.447 -38.199 1.00 62.41 C ATOM 1671 NZ LYS B 545 42.558 16.745 -37.614 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.541 13.931 -35.287 1.00 75.25 H new ATOM 0 HA LYS B 545 37.852 16.094 -35.169 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.416 13.904 -37.134 1.00 64.44 H new ATOM 0 HB3 LYS B 545 36.995 14.886 -37.429 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.724 15.949 -38.637 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.513 16.936 -37.204 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.497 16.147 -36.199 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.532 14.690 -37.173 1.00 42.41 H new ATOM 0 HE2 LYS B 545 41.342 15.814 -39.078 1.00 62.41 H new ATOM 0 HE3 LYS B 545 40.757 17.374 -38.535 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 43.064 17.415 -38.228 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 42.438 17.164 -36.670 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 43.107 15.865 -37.536 1.00 40.23 H new ATOM 1685 N LEU B 546 36.161 13.247 -35.121 1.00 71.42 N ATOM 1686 CA LEU B 546 34.874 12.656 -34.774 1.00 33.24 C ATOM 1687 C LEU B 546 34.837 12.255 -33.303 1.00 5.43 C ATOM 1688 O LEU B 546 33.777 12.246 -32.677 1.00 43.24 O ATOM 1689 CB LEU B 546 34.595 11.436 -35.654 1.00 40.40 C ATOM 1690 CG LEU B 546 35.518 10.234 -35.447 1.00 10.12 C ATOM 1691 CD1 LEU B 546 34.989 9.340 -34.337 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.668 9.449 -36.742 1.00 60.44 C ATOM 0 H LEU B 546 36.865 12.575 -35.426 1.00 71.42 H new ATOM 0 HA LEU B 546 34.101 13.405 -34.947 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.568 11.115 -35.480 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.660 11.743 -36.698 1.00 40.40 H new ATOM 0 HG LEU B 546 36.501 10.601 -35.152 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.659 8.490 -34.204 1.00 23.44 H new ATOM 0 HD12 LEU B 546 34.934 9.907 -33.408 1.00 23.44 H new ATOM 0 HD13 LEU B 546 33.995 8.981 -34.602 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.328 8.597 -36.577 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.690 9.093 -37.067 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.093 10.094 -37.511 1.00 60.44 H new ATOM 1704 N GLN B 547 36.004 11.923 -32.756 1.00 42.22 N ATOM 1705 CA GLN B 547 36.104 11.523 -31.358 1.00 10.14 C ATOM 1706 C GLN B 547 35.434 12.547 -30.448 1.00 64.45 C ATOM 1707 O GLN B 547 34.656 12.191 -29.563 1.00 15.25 O ATOM 1708 CB GLN B 547 37.571 11.352 -30.959 1.00 1.31 C ATOM 1709 CG GLN B 547 37.839 10.096 -30.145 1.00 14.25 C ATOM 1710 CD GLN B 547 39.175 10.136 -29.431 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.230 10.040 -30.059 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.137 10.282 -28.112 1.00 30.11 N ATOM 0 H GLN B 547 36.891 11.924 -33.260 1.00 42.22 H new ATOM 0 HA GLN B 547 35.589 10.570 -31.242 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.183 11.328 -31.860 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.886 12.222 -30.383 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.043 9.967 -29.411 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.809 9.228 -30.804 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.240 10.358 -27.633 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.005 10.319 -27.578 1.00 30.11 H new ATOM 1721 N LYS B 548 35.741 13.820 -30.670 1.00 13.42 N ATOM 1722 CA LYS B 548 35.168 14.897 -29.872 1.00 2.43 C ATOM 1723 C LYS B 548 33.653 14.752 -29.772 1.00 11.31 C ATOM 1724 O LYS B 548 33.090 14.769 -28.676 1.00 25.34 O ATOM 1725 CB LYS B 548 35.522 16.256 -30.482 1.00 44.51 C ATOM 1726 CG LYS B 548 35.235 16.348 -31.971 1.00 74.23 C ATOM 1727 CD LYS B 548 36.131 17.369 -32.650 1.00 50.13 C ATOM 1728 CE LYS B 548 35.935 18.759 -32.063 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.784 19.775 -32.747 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.385 14.132 -31.397 1.00 13.42 H new ATOM 0 HA LYS B 548 35.589 14.836 -28.868 1.00 2.43 H new ATOM 0 HB2 LYS B 548 34.962 17.034 -29.964 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.580 16.457 -30.311 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.381 15.371 -32.432 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.191 16.620 -32.125 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.173 17.070 -32.540 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.916 17.390 -33.718 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.887 19.045 -32.148 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.175 18.741 -31.000 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 37.366 20.272 -32.043 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.403 19.303 -33.436 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.176 20.460 -33.240 1.00 32.25 H new ATOM 1743 N TRP B 549 32.999 14.610 -30.919 1.00 35.00 N ATOM 1744 CA TRP B 549 31.549 14.462 -30.958 1.00 23.03 C ATOM 1745 C TRP B 549 31.105 13.237 -30.166 1.00 60.44 C ATOM 1746 O TRP B 549 30.368 13.352 -29.187 1.00 13.42 O ATOM 1747 CB TRP B 549 31.066 14.350 -32.404 1.00 1.00 C ATOM 1748 CG TRP B 549 31.475 15.513 -33.258 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.651 15.656 -33.938 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.711 16.694 -33.522 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.663 16.856 -34.608 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.484 17.510 -34.369 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.447 17.140 -33.126 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.034 18.747 -34.824 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 29.002 18.367 -33.579 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.794 19.160 -34.421 1.00 4.25 C ATOM 0 H TRP B 549 33.450 14.594 -31.834 1.00 35.00 H new ATOM 0 HA TRP B 549 31.107 15.347 -30.501 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.459 13.432 -32.841 1.00 1.00 H new ATOM 0 HB3 TRP B 549 29.979 14.267 -32.411 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.453 14.933 -33.948 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.426 17.203 -35.189 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.829 16.536 -32.478 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.643 19.359 -35.473 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.027 18.721 -33.279 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.418 20.115 -34.758 1.00 4.25 H new ATOM 1767 N VAL B 550 31.561 12.063 -30.594 1.00 65.43 N ATOM 1768 CA VAL B 550 31.212 10.817 -29.923 1.00 41.32 C ATOM 1769 C VAL B 550 31.485 10.903 -28.426 1.00 70.33 C ATOM 1770 O VAL B 550 30.589 10.692 -27.608 1.00 22.45 O ATOM 1771 CB VAL B 550 31.995 9.626 -30.509 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.601 8.333 -29.810 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.765 9.523 -32.009 1.00 22.45 C ATOM 0 H VAL B 550 32.173 11.950 -31.402 1.00 65.43 H new ATOM 0 HA VAL B 550 30.146 10.658 -30.086 1.00 41.32 H new ATOM 0 HB VAL B 550 33.059 9.793 -30.339 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.164 7.503 -30.237 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.823 8.413 -28.746 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.534 8.156 -29.946 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.326 8.677 -32.406 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.703 9.379 -32.205 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.102 10.440 -32.493 1.00 22.45 H new ATOM 1783 N ARG B 551 32.727 11.216 -28.073 1.00 22.31 N ATOM 1784 CA ARG B 551 33.119 11.331 -26.674 1.00 13.54 C ATOM 1785 C ARG B 551 32.081 12.122 -25.882 1.00 30.45 C ATOM 1786 O ARG B 551 31.718 11.747 -24.767 1.00 43.25 O ATOM 1787 CB ARG B 551 34.487 12.004 -26.558 1.00 20.34 C ATOM 1788 CG ARG B 551 35.238 11.645 -25.286 1.00 75.53 C ATOM 1789 CD ARG B 551 36.027 12.829 -24.751 1.00 51.12 C ATOM 1790 NE ARG B 551 37.224 12.409 -24.029 1.00 55.05 N ATOM 1791 CZ ARG B 551 38.187 13.243 -23.653 1.00 23.44 C ATOM 1792 NH1 ARG B 551 38.092 14.537 -23.929 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 39.247 12.784 -23.001 1.00 20.42 N ATOM 0 H ARG B 551 33.480 11.395 -28.738 1.00 22.31 H new ATOM 0 HA ARG B 551 33.181 10.326 -26.257 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.094 11.724 -27.419 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.355 13.085 -26.599 1.00 20.34 H new ATOM 0 HG2 ARG B 551 34.531 11.305 -24.529 1.00 75.53 H new ATOM 0 HG3 ARG B 551 35.916 10.815 -25.485 1.00 75.53 H new ATOM 0 HD2 ARG B 551 36.312 13.478 -25.579 1.00 51.12 H new ATOM 0 HD3 ARG B 551 35.392 13.418 -24.089 1.00 51.12 H new ATOM 0 HE ARG B 551 37.327 11.420 -23.801 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.278 14.893 -24.431 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.832 15.176 -23.639 1.00 74.33 H new ATOM 0 HH21 ARG B 551 39.323 11.789 -22.788 1.00 20.42 H new ATOM 0 HH22 ARG B 551 39.986 13.426 -22.713 1.00 20.42 H new ATOM 1807 N VAL B 552 31.611 13.219 -26.466 1.00 73.21 N ATOM 1808 CA VAL B 552 30.615 14.063 -25.816 1.00 53.54 C ATOM 1809 C VAL B 552 29.278 13.341 -25.692 1.00 31.11 C ATOM 1810 O VAL B 552 28.597 13.444 -24.671 1.00 31.43 O ATOM 1811 CB VAL B 552 30.405 15.380 -26.587 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.292 16.198 -25.953 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.700 16.177 -26.642 1.00 14.55 C ATOM 0 H VAL B 552 31.903 13.544 -27.387 1.00 73.21 H new ATOM 0 HA VAL B 552 30.995 14.290 -24.820 1.00 53.54 H new ATOM 0 HB VAL B 552 30.109 15.140 -27.608 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.158 17.125 -26.511 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.364 15.626 -25.971 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.554 16.431 -24.921 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.534 17.104 -27.190 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.028 16.408 -25.629 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.467 15.590 -27.147 1.00 14.55 H new ATOM 1823 N TYR B 553 28.908 12.609 -26.737 1.00 3.04 N ATOM 1824 CA TYR B 553 27.651 11.870 -26.746 1.00 51.43 C ATOM 1825 C TYR B 553 27.607 10.857 -25.607 1.00 23.41 C ATOM 1826 O TYR B 553 26.607 10.748 -24.895 1.00 65.22 O ATOM 1827 CB TYR B 553 27.466 11.156 -28.086 1.00 50.50 C ATOM 1828 CG TYR B 553 27.072 9.703 -27.948 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.758 9.341 -27.680 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.015 8.692 -28.085 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.395 8.014 -27.552 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.660 7.362 -27.960 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.349 7.028 -27.694 1.00 52.22 C ATOM 1834 OH TYR B 553 25.992 5.705 -27.568 1.00 2.33 O ATOM 0 H TYR B 553 29.461 12.512 -27.589 1.00 3.04 H new ATOM 0 HA TYR B 553 26.838 12.582 -26.606 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.703 11.677 -28.664 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.394 11.220 -28.653 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.007 10.110 -27.570 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.043 8.950 -28.293 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.369 7.750 -27.342 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.406 6.588 -28.070 1.00 34.42 H new ATOM 0 HH TYR B 553 25.502 5.577 -26.729 1.00 2.33 H new ATOM 1844 N LEU B 554 28.697 10.118 -25.438 1.00 55.44 N ATOM 1845 CA LEU B 554 28.784 9.112 -24.385 1.00 42.23 C ATOM 1846 C LEU B 554 29.075 9.762 -23.035 1.00 53.42 C ATOM 1847 O LEU B 554 28.700 9.234 -21.988 1.00 74.44 O ATOM 1848 CB LEU B 554 29.874 8.091 -24.717 1.00 44.44 C ATOM 1849 CG LEU B 554 31.232 8.666 -25.123 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.218 8.573 -23.970 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.771 7.942 -26.348 1.00 32.42 C ATOM 0 H LEU B 554 29.533 10.196 -26.017 1.00 55.44 H new ATOM 0 HA LEU B 554 27.823 8.601 -24.323 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.019 7.449 -23.848 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.514 7.456 -25.526 1.00 44.44 H new ATOM 0 HG LEU B 554 31.099 9.718 -25.375 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.178 8.987 -24.278 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.836 9.136 -23.119 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.348 7.529 -23.685 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.738 8.363 -26.624 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.888 6.882 -26.122 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.074 8.061 -27.177 1.00 32.42 H new ATOM 1863 N ASP B 555 29.742 10.910 -23.068 1.00 73.25 N ATOM 1864 CA ASP B 555 30.079 11.634 -21.849 1.00 31.31 C ATOM 1865 C ASP B 555 28.841 12.292 -21.247 1.00 23.23 C ATOM 1866 O ASP B 555 28.720 12.411 -20.028 1.00 34.14 O ATOM 1867 CB ASP B 555 31.145 12.693 -22.136 1.00 72.13 C ATOM 1868 CG ASP B 555 31.528 13.480 -20.899 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.664 13.304 -20.410 1.00 34.15 O ATOM 1870 OD2 ASP B 555 30.692 14.274 -20.419 1.00 21.01 O1- ATOM 0 H ASP B 555 30.060 11.359 -23.927 1.00 73.25 H new ATOM 0 HA ASP B 555 30.474 10.917 -21.129 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.032 12.209 -22.544 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.776 13.378 -22.899 1.00 72.13 H new ATOM 1875 N ARG B 556 27.926 12.719 -22.110 1.00 10.54 N ATOM 1876 CA ARG B 556 26.698 13.367 -21.665 1.00 54.44 C ATOM 1877 C ARG B 556 25.594 12.340 -21.432 1.00 72.41 C ATOM 1878 O ARG B 556 24.730 12.525 -20.575 1.00 3.24 O ATOM 1879 CB ARG B 556 26.238 14.401 -22.695 1.00 35.13 C ATOM 1880 CG ARG B 556 25.883 13.799 -24.045 1.00 22.30 C ATOM 1881 CD ARG B 556 24.392 13.520 -24.155 1.00 71.10 C ATOM 1882 NE ARG B 556 24.116 12.328 -24.953 1.00 44.32 N ATOM 1883 CZ ARG B 556 22.922 12.045 -25.461 1.00 73.04 C ATOM 1884 NH1 ARG B 556 21.899 12.863 -25.257 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.750 10.941 -26.177 1.00 21.52 N ATOM 0 H ARG B 556 28.012 12.628 -23.122 1.00 10.54 H new ATOM 0 HA ARG B 556 26.906 13.872 -20.722 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.370 14.930 -22.303 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.027 15.140 -22.832 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.186 14.480 -24.840 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.439 12.873 -24.189 1.00 22.30 H new ATOM 0 HD2 ARG B 556 23.972 13.393 -23.157 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.894 14.380 -24.603 1.00 71.10 H new ATOM 0 HE ARG B 556 24.882 11.678 -25.130 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.027 13.713 -24.708 1.00 65.23 H new ATOM 0 HH12 ARG B 556 20.983 12.642 -25.649 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.535 10.310 -26.337 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.833 10.724 -26.567 1.00 21.52 H new ATOM 1899 N GLY B 557 25.629 11.256 -22.202 1.00 54.40 N ATOM 1900 CA GLY B 557 24.626 10.216 -22.064 1.00 51.20 C ATOM 1901 C GLY B 557 24.744 9.467 -20.751 1.00 73.35 C ATOM 1902 O GLY B 557 23.736 9.094 -20.152 1.00 64.24 O ATOM 0 H GLY B 557 26.334 11.080 -22.918 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.634 10.661 -22.137 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.721 9.512 -22.890 1.00 51.20 H new ATOM 1906 N GLN B 558 25.977 9.248 -20.305 1.00 30.44 N ATOM 1907 CA GLN B 558 26.220 8.536 -19.056 1.00 71.33 C ATOM 1908 C GLN B 558 27.636 8.796 -18.550 1.00 54.22 C ATOM 1909 O GLN B 558 27.836 9.554 -17.601 1.00 65.12 O ATOM 1910 CB GLN B 558 26.002 7.035 -19.248 1.00 32.20 C ATOM 1911 CG GLN B 558 26.092 6.587 -20.699 1.00 10.50 C ATOM 1912 CD GLN B 558 25.889 5.094 -20.863 1.00 44.43 C ATOM 1913 OE1 GLN B 558 26.815 4.366 -21.220 1.00 32.15 O ATOM 1914 NE2 GLN B 558 24.672 4.629 -20.602 1.00 2.10 N ATOM 0 H GLN B 558 26.822 9.553 -20.789 1.00 30.44 H new ATOM 0 HA GLN B 558 25.513 8.905 -18.313 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.743 6.491 -18.662 1.00 32.20 H new ATOM 0 HB3 GLN B 558 25.022 6.765 -18.853 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.343 7.118 -21.286 1.00 10.50 H new ATOM 0 HG3 GLN B 558 27.067 6.863 -21.101 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.934 5.269 -20.309 1.00 2.10 H new ATOM 0 HE22 GLN B 558 24.476 3.632 -20.695 1.00 2.10 H new ATOM 1923 N GLU B 559 28.614 8.160 -19.189 1.00 54.14 N ATOM 1924 CA GLU B 559 30.010 8.322 -18.801 1.00 64.14 C ATOM 1925 C GLU B 559 30.940 7.912 -19.939 1.00 45.44 C ATOM 1926 O GLU B 559 30.492 7.610 -21.044 1.00 54.24 O ATOM 1927 CB GLU B 559 30.315 7.492 -17.553 1.00 42.30 C ATOM 1928 CG GLU B 559 29.994 6.015 -17.711 1.00 15.30 C ATOM 1929 CD GLU B 559 29.630 5.353 -16.396 1.00 15.40 C ATOM 1930 OE1 GLU B 559 29.968 5.918 -15.335 1.00 24.20 O ATOM 1931 OE2 GLU B 559 29.010 4.270 -16.428 1.00 61.43 O1- ATOM 0 H GLU B 559 28.465 7.529 -19.976 1.00 54.14 H new ATOM 0 HA GLU B 559 30.180 9.375 -18.577 1.00 64.14 H new ATOM 0 HB2 GLU B 559 31.370 7.601 -17.303 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.746 7.891 -16.713 1.00 42.30 H new ATOM 0 HG2 GLU B 559 29.168 5.900 -18.412 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.854 5.505 -18.145 1.00 15.30 H new ATOM 1938 N ALA B 560 32.240 7.906 -19.658 1.00 3.04 N ATOM 1939 CA ALA B 560 33.235 7.534 -20.657 1.00 50.04 C ATOM 1940 C ALA B 560 33.173 6.040 -20.961 1.00 31.25 C ATOM 1941 O ALA B 560 32.744 5.244 -20.126 1.00 10.24 O ATOM 1942 CB ALA B 560 34.628 7.920 -20.184 1.00 41.05 C ATOM 0 H ALA B 560 32.628 8.154 -18.748 1.00 3.04 H new ATOM 0 HA ALA B 560 33.013 8.076 -21.576 1.00 50.04 H new ATOM 0 HB1 ALA B 560 35.360 7.636 -20.940 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.672 8.997 -20.022 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.851 7.404 -19.250 1.00 41.05 H new ATOM 1948 N ILE B 561 33.605 5.667 -22.161 1.00 73.03 N ATOM 1949 CA ILE B 561 33.600 4.269 -22.574 1.00 2.23 C ATOM 1950 C ILE B 561 34.687 3.998 -23.608 1.00 30.44 C ATOM 1951 O ILE B 561 34.820 4.724 -24.593 1.00 42.35 O ATOM 1952 CB ILE B 561 32.235 3.862 -23.161 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.766 4.898 -24.184 1.00 63.44 C ATOM 1954 CG2 ILE B 561 31.208 3.701 -22.050 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.581 4.441 -25.006 1.00 63.22 C ATOM 0 H ILE B 561 33.963 6.313 -22.864 1.00 73.03 H new ATOM 0 HA ILE B 561 33.795 3.674 -21.682 1.00 2.23 H new ATOM 0 HB ILE B 561 32.345 2.904 -23.668 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.503 5.818 -23.663 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.593 5.136 -24.854 1.00 63.44 H new ATOM 0 HG21 ILE B 561 30.249 3.413 -22.480 1.00 51.43 H new ATOM 0 HG22 ILE B 561 31.541 2.929 -21.356 1.00 51.43 H new ATOM 0 HG23 ILE B 561 31.098 4.645 -21.517 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.303 5.225 -25.710 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.846 3.537 -25.555 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.740 4.231 -24.346 1.00 63.22 H new ATOM 1967 N LYS B 562 35.464 2.944 -23.378 1.00 34.53 N ATOM 1968 CA LYS B 562 36.540 2.572 -24.290 1.00 5.33 C ATOM 1969 C LYS B 562 36.233 1.247 -24.980 1.00 3.44 C ATOM 1970 O LYS B 562 35.923 1.214 -26.172 1.00 74.43 O ATOM 1971 CB LYS B 562 37.865 2.470 -23.533 1.00 55.54 C ATOM 1972 CG LYS B 562 38.626 3.783 -23.459 1.00 23.25 C ATOM 1973 CD LYS B 562 40.116 3.555 -23.267 1.00 61.12 C ATOM 1974 CE LYS B 562 40.928 4.755 -23.730 1.00 62.12 C ATOM 1975 NZ LYS B 562 40.845 5.886 -22.765 1.00 35.51 N1+ ATOM 0 H LYS B 562 35.368 2.332 -22.567 1.00 34.53 H new ATOM 0 HA LYS B 562 36.623 3.348 -25.051 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.669 2.116 -22.521 1.00 55.54 H new ATOM 0 HB3 LYS B 562 38.493 1.722 -24.017 1.00 55.54 H new ATOM 0 HG2 LYS B 562 38.459 4.353 -24.373 1.00 23.25 H new ATOM 0 HG3 LYS B 562 38.240 4.382 -22.635 1.00 23.25 H new ATOM 0 HD2 LYS B 562 40.322 3.359 -22.215 1.00 61.12 H new ATOM 0 HD3 LYS B 562 40.424 2.669 -23.823 1.00 61.12 H new ATOM 0 HE2 LYS B 562 41.970 4.461 -23.857 1.00 62.12 H new ATOM 0 HE3 LYS B 562 40.568 5.083 -24.705 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 41.411 6.684 -23.116 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 39.854 6.183 -22.663 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 41.212 5.581 -21.841 1.00 35.51 H new TER 1989 LYS B 562