USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 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=-0.00228 X(o=-2.7,f=-2.7) USER MOD Set 1.2: A 145 GLN : amide:sc= -2.68 K(o=-2.7,f=-7.2!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.99) USER MOD Single : A 72 SER OG : rot 180:sc= -0.129 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.15 (180deg=-0.601) USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 43:sc= 0.275 USER MOD Single : A 81 SER OG : rot 63:sc= 1.23 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 91 THR OG1 : rot -74:sc= -0.43 USER MOD Single : A 92 LYS NZ :NH3+ -109:sc= -0.355 (180deg=-1.31!) USER MOD Single : A 94 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.5) USER MOD Single : A 97 THR OG1 : rot -100:sc= -1.6 USER MOD Single : A 100 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.09) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= -6.27 K(o=-6.3,f=-9.5!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.171 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.33) USER MOD Single : A 116 MET CE :methyl 165:sc= -0.72 (180deg=-1.57) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= -0.0217 (180deg=-0.17) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0.319 K(o=0.32,f=-3!) 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 :FLIP amide:sc= -0.414 F(o=-1.3,f=-0.41) USER MOD Single : A 136 THR OG1 : rot -59:sc= -0.0684 USER MOD Single : B 518 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : B 519 MET CE :methyl -165:sc= -0.0155 (180deg=-0.375) USER MOD Single : B 523 THR OG1 : rot 51:sc= 0.0191 USER MOD Single : B 527 SER OG : rot 180:sc= 0.0446 USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 531 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 532 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.9!) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 SER OG : rot 180:sc= -0.0517 USER MOD Single : B 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 23.790 -13.122 -68.015 1.00 74.20 N ATOM 2 CA MET A 69 22.825 -14.041 -67.422 1.00 31.11 C ATOM 3 C MET A 69 22.360 -13.536 -66.060 1.00 50.54 C ATOM 4 O MET A 69 22.733 -12.444 -65.631 1.00 3.54 O ATOM 5 CB MET A 69 23.437 -15.435 -67.280 1.00 33.12 C ATOM 6 CG MET A 69 23.707 -16.118 -68.611 1.00 34.21 C ATOM 7 SD MET A 69 24.831 -17.520 -68.457 1.00 30.11 S ATOM 8 CE MET A 69 26.326 -16.835 -69.167 1.00 32.55 C ATOM 0 HA MET A 69 21.961 -14.098 -68.084 1.00 31.11 H new ATOM 0 HB2 MET A 69 24.372 -15.358 -66.724 1.00 33.12 H new ATOM 0 HB3 MET A 69 22.766 -16.059 -66.690 1.00 33.12 H new ATOM 0 HG2 MET A 69 22.764 -16.459 -69.038 1.00 34.21 H new ATOM 0 HG3 MET A 69 24.129 -15.394 -69.308 1.00 34.21 H new ATOM 0 HE1 MET A 69 27.117 -17.585 -69.143 1.00 32.55 H new ATOM 0 HE2 MET A 69 26.137 -16.540 -70.199 1.00 32.55 H new ATOM 0 HE3 MET A 69 26.636 -15.963 -68.591 1.00 32.55 H new ATOM 18 N ASP A 70 21.543 -14.337 -65.385 1.00 23.23 N ATOM 19 CA ASP A 70 21.027 -13.971 -64.071 1.00 34.14 C ATOM 20 C ASP A 70 22.098 -14.148 -62.998 1.00 65.45 C ATOM 21 O ASP A 70 22.957 -15.021 -63.104 1.00 24.10 O ATOM 22 CB ASP A 70 19.799 -14.817 -63.727 1.00 21.10 C ATOM 23 CG ASP A 70 18.668 -14.623 -64.719 1.00 71.45 C ATOM 24 OD1 ASP A 70 18.247 -15.622 -65.340 1.00 15.14 O ATOM 25 OD2 ASP A 70 18.204 -13.475 -64.872 1.00 53.42 O1- ATOM 0 H ASP A 70 21.224 -15.244 -65.726 1.00 23.23 H new ATOM 0 HA ASP A 70 20.738 -12.920 -64.102 1.00 34.14 H new ATOM 0 HB2 ASP A 70 20.081 -15.870 -63.703 1.00 21.10 H new ATOM 0 HB3 ASP A 70 19.451 -14.557 -62.727 1.00 21.10 H new ATOM 30 N ASN A 71 22.039 -13.313 -61.967 1.00 22.14 N ATOM 31 CA ASN A 71 23.005 -13.375 -60.876 1.00 34.12 C ATOM 32 C ASN A 71 22.521 -12.569 -59.674 1.00 4.12 C ATOM 33 O ASN A 71 21.819 -11.569 -59.826 1.00 65.53 O ATOM 34 CB ASN A 71 24.366 -12.853 -61.341 1.00 71.13 C ATOM 35 CG ASN A 71 25.248 -13.954 -61.896 1.00 0.32 C ATOM 36 OD1 ASN A 71 25.705 -13.882 -63.038 1.00 3.23 O ATOM 37 ND2 ASN A 71 25.491 -14.981 -61.091 1.00 4.42 N ATOM 0 H ASN A 71 21.332 -12.585 -61.863 1.00 22.14 H new ATOM 0 HA ASN A 71 23.108 -14.417 -60.574 1.00 34.12 H new ATOM 0 HB2 ASN A 71 24.218 -12.090 -62.105 1.00 71.13 H new ATOM 0 HB3 ASN A 71 24.873 -12.372 -60.504 1.00 71.13 H new ATOM 0 HD21 ASN A 71 26.077 -15.752 -61.411 1.00 4.42 H new ATOM 0 HD22 ASN A 71 25.092 -14.999 -60.153 1.00 4.42 H new ATOM 44 N SER A 72 22.903 -13.010 -58.480 1.00 3.04 N ATOM 45 CA SER A 72 22.507 -12.331 -57.252 1.00 45.25 C ATOM 46 C SER A 72 23.139 -12.999 -56.034 1.00 31.43 C ATOM 47 O SER A 72 23.523 -14.167 -56.082 1.00 24.42 O ATOM 48 CB SER A 72 20.984 -12.330 -57.114 1.00 33.44 C ATOM 49 OG SER A 72 20.593 -12.100 -55.771 1.00 30.22 O ATOM 0 H SER A 72 23.486 -13.834 -58.337 1.00 3.04 H new ATOM 0 HA SER A 72 22.861 -11.301 -57.305 1.00 45.25 H new ATOM 0 HB2 SER A 72 20.558 -11.560 -57.757 1.00 33.44 H new ATOM 0 HB3 SER A 72 20.584 -13.286 -57.454 1.00 33.44 H new ATOM 0 HG SER A 72 19.615 -12.102 -55.710 1.00 30.22 H new ATOM 55 N ALA A 73 23.244 -12.247 -54.943 1.00 32.23 N ATOM 56 CA ALA A 73 23.827 -12.765 -53.711 1.00 1.24 C ATOM 57 C ALA A 73 23.732 -11.741 -52.586 1.00 73.54 C ATOM 58 O ALA A 73 23.590 -10.543 -52.833 1.00 43.12 O ATOM 59 CB ALA A 73 25.277 -13.165 -53.942 1.00 50.03 C ATOM 0 H ALA A 73 22.933 -11.277 -54.887 1.00 32.23 H new ATOM 0 HA ALA A 73 23.261 -13.647 -53.412 1.00 1.24 H new ATOM 0 HB1 ALA A 73 25.700 -13.550 -53.014 1.00 50.03 H new ATOM 0 HB2 ALA A 73 25.324 -13.937 -54.710 1.00 50.03 H new ATOM 0 HB3 ALA A 73 25.847 -12.295 -54.267 1.00 50.03 H new ATOM 65 N SER A 74 23.810 -12.219 -51.348 1.00 65.05 N ATOM 66 CA SER A 74 23.728 -11.345 -50.184 1.00 24.22 C ATOM 67 C SER A 74 23.923 -12.137 -48.895 1.00 51.35 C ATOM 68 O SER A 74 23.734 -13.354 -48.864 1.00 13.12 O ATOM 69 CB SER A 74 22.377 -10.626 -50.154 1.00 11.40 C ATOM 70 OG SER A 74 21.306 -11.552 -50.202 1.00 64.15 O ATOM 0 H SER A 74 23.930 -13.207 -51.125 1.00 65.05 H new ATOM 0 HA SER A 74 24.525 -10.605 -50.260 1.00 24.22 H new ATOM 0 HB2 SER A 74 22.302 -10.024 -49.248 1.00 11.40 H new ATOM 0 HB3 SER A 74 22.307 -9.940 -50.999 1.00 11.40 H new ATOM 0 HG SER A 74 20.454 -11.068 -50.180 1.00 64.15 H new ATOM 76 N LYS A 75 24.303 -11.439 -47.831 1.00 51.20 N ATOM 77 CA LYS A 75 24.524 -12.074 -46.537 1.00 61.13 C ATOM 78 C LYS A 75 24.863 -11.037 -45.472 1.00 14.21 C ATOM 79 O LYS A 75 25.149 -9.882 -45.786 1.00 53.03 O ATOM 80 CB LYS A 75 25.651 -13.105 -46.637 1.00 4.54 C ATOM 81 CG LYS A 75 26.957 -12.529 -47.156 1.00 70.10 C ATOM 82 CD LYS A 75 27.758 -13.566 -47.925 1.00 22.54 C ATOM 83 CE LYS A 75 28.734 -12.913 -48.893 1.00 42.01 C ATOM 84 NZ LYS A 75 28.028 -12.147 -49.957 1.00 3.24 N1+ ATOM 0 H LYS A 75 24.465 -10.432 -47.839 1.00 51.20 H new ATOM 0 HA LYS A 75 23.603 -12.579 -46.247 1.00 61.13 H new ATOM 0 HB2 LYS A 75 25.822 -13.541 -45.653 1.00 4.54 H new ATOM 0 HB3 LYS A 75 25.334 -13.915 -47.294 1.00 4.54 H new ATOM 0 HG2 LYS A 75 26.748 -11.677 -47.803 1.00 70.10 H new ATOM 0 HG3 LYS A 75 27.549 -12.157 -46.320 1.00 70.10 H new ATOM 0 HD2 LYS A 75 28.306 -14.196 -47.225 1.00 22.54 H new ATOM 0 HD3 LYS A 75 27.079 -14.217 -48.476 1.00 22.54 H new ATOM 0 HE2 LYS A 75 29.398 -12.245 -48.344 1.00 42.01 H new ATOM 0 HE3 LYS A 75 29.359 -13.679 -49.351 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 28.636 -12.080 -50.798 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 27.144 -12.634 -50.207 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 27.810 -11.191 -49.610 1.00 3.24 H new ATOM 98 N ASN A 76 24.831 -11.457 -44.211 1.00 3.42 N ATOM 99 CA ASN A 76 25.136 -10.563 -43.100 1.00 15.21 C ATOM 100 C ASN A 76 25.455 -11.356 -41.836 1.00 1.14 C ATOM 101 O ASN A 76 25.504 -12.585 -41.858 1.00 24.43 O ATOM 102 CB ASN A 76 23.960 -9.619 -42.840 1.00 52.35 C ATOM 103 CG ASN A 76 22.631 -10.348 -42.804 1.00 1.44 C ATOM 104 OD1 ASN A 76 22.067 -10.610 -43.978 1.00 51.55 O flip ATOM 105 ND2 ASN A 76 22.117 -10.674 -41.733 1.00 51.31 N flip ATOM 0 H ASN A 76 24.597 -12.410 -43.933 1.00 3.42 H new ATOM 0 HA ASN A 76 26.013 -9.974 -43.370 1.00 15.21 H new ATOM 0 HB2 ASN A 76 24.114 -9.103 -41.892 1.00 52.35 H new ATOM 0 HB3 ASN A 76 23.932 -8.856 -43.617 1.00 52.35 H new ATOM 0 HD21 ASN A 76 22.585 -10.453 -40.854 1.00 51.31 H new ATOM 0 HD22 ASN A 76 21.223 -11.165 -41.725 1.00 51.31 H new ATOM 112 N SER A 77 25.672 -10.643 -40.735 1.00 4.44 N ATOM 113 CA SER A 77 25.990 -11.278 -39.462 1.00 12.05 C ATOM 114 C SER A 77 25.336 -10.533 -38.303 1.00 25.02 C ATOM 115 O SER A 77 24.581 -9.583 -38.510 1.00 34.10 O ATOM 116 CB SER A 77 27.505 -11.333 -39.260 1.00 2.00 C ATOM 117 OG SER A 77 28.152 -11.884 -40.394 1.00 22.15 O ATOM 0 H SER A 77 25.633 -9.624 -40.700 1.00 4.44 H new ATOM 0 HA SER A 77 25.597 -12.294 -39.483 1.00 12.05 H new ATOM 0 HB2 SER A 77 27.886 -10.329 -39.072 1.00 2.00 H new ATOM 0 HB3 SER A 77 27.736 -11.932 -38.379 1.00 2.00 H new ATOM 0 HG SER A 77 29.120 -11.907 -40.240 1.00 22.15 H new ATOM 123 N ALA A 78 25.633 -10.969 -37.084 1.00 22.23 N ATOM 124 CA ALA A 78 25.076 -10.343 -35.892 1.00 11.51 C ATOM 125 C ALA A 78 25.767 -10.851 -34.631 1.00 34.52 C ATOM 126 O ALA A 78 25.840 -12.058 -34.396 1.00 71.44 O ATOM 127 CB ALA A 78 23.578 -10.595 -35.813 1.00 23.42 C ATOM 0 H ALA A 78 26.257 -11.754 -36.896 1.00 22.23 H new ATOM 0 HA ALA A 78 25.249 -9.269 -35.962 1.00 11.51 H new ATOM 0 HB1 ALA A 78 23.176 -10.121 -34.917 1.00 23.42 H new ATOM 0 HB2 ALA A 78 23.092 -10.177 -36.694 1.00 23.42 H new ATOM 0 HB3 ALA A 78 23.391 -11.668 -35.771 1.00 23.42 H new ATOM 133 N ILE A 79 26.273 -9.924 -33.824 1.00 74.14 N ATOM 134 CA ILE A 79 26.958 -10.281 -32.588 1.00 71.01 C ATOM 135 C ILE A 79 26.350 -9.552 -31.393 1.00 71.13 C ATOM 136 O ILE A 79 26.598 -8.363 -31.187 1.00 10.44 O ATOM 137 CB ILE A 79 28.461 -9.954 -32.662 1.00 31.22 C ATOM 138 CG1 ILE A 79 29.107 -10.691 -33.838 1.00 14.41 C ATOM 139 CG2 ILE A 79 29.148 -10.324 -31.356 1.00 3.00 C ATOM 140 CD1 ILE A 79 29.073 -12.197 -33.700 1.00 1.13 C ATOM 0 H ILE A 79 26.221 -8.921 -34.004 1.00 74.14 H new ATOM 0 HA ILE A 79 26.834 -11.356 -32.458 1.00 71.01 H new ATOM 0 HB ILE A 79 28.578 -8.882 -32.820 1.00 31.22 H new ATOM 0 HG12 ILE A 79 28.597 -10.407 -34.758 1.00 14.41 H new ATOM 0 HG13 ILE A 79 30.143 -10.366 -33.935 1.00 14.41 H new ATOM 0 HG21 ILE A 79 30.210 -10.087 -31.424 1.00 3.00 H new ATOM 0 HG22 ILE A 79 28.702 -9.759 -30.537 1.00 3.00 H new ATOM 0 HG23 ILE A 79 29.025 -11.391 -31.170 1.00 3.00 H new ATOM 0 HD11 ILE A 79 29.548 -12.653 -34.569 1.00 1.13 H new ATOM 0 HD12 ILE A 79 29.608 -12.492 -32.797 1.00 1.13 H new ATOM 0 HD13 ILE A 79 28.038 -12.533 -33.634 1.00 1.13 H new ATOM 152 N SER A 80 25.554 -10.273 -30.610 1.00 54.20 N ATOM 153 CA SER A 80 24.910 -9.694 -29.437 1.00 1.35 C ATOM 154 C SER A 80 25.803 -9.823 -28.207 1.00 11.25 C ATOM 155 O SER A 80 26.036 -10.923 -27.708 1.00 61.02 O ATOM 156 CB SER A 80 23.565 -10.378 -29.178 1.00 45.00 C ATOM 157 OG SER A 80 23.705 -11.789 -29.168 1.00 4.14 O ATOM 0 H SER A 80 25.340 -11.258 -30.766 1.00 54.20 H new ATOM 0 HA SER A 80 24.741 -8.635 -29.632 1.00 1.35 H new ATOM 0 HB2 SER A 80 23.161 -10.043 -28.223 1.00 45.00 H new ATOM 0 HB3 SER A 80 22.850 -10.086 -29.947 1.00 45.00 H new ATOM 0 HG SER A 80 24.515 -12.034 -28.673 1.00 4.14 H new ATOM 163 N SER A 81 26.300 -8.689 -27.723 1.00 72.10 N ATOM 164 CA SER A 81 27.171 -8.674 -26.555 1.00 3.34 C ATOM 165 C SER A 81 27.572 -7.246 -26.194 1.00 74.11 C ATOM 166 O SER A 81 28.194 -6.544 -26.992 1.00 52.22 O ATOM 167 CB SER A 81 28.421 -9.517 -26.812 1.00 32.25 C ATOM 168 OG SER A 81 28.248 -10.843 -26.343 1.00 4.53 O ATOM 0 H SER A 81 26.114 -7.769 -28.122 1.00 72.10 H new ATOM 0 HA SER A 81 26.620 -9.101 -25.717 1.00 3.34 H new ATOM 0 HB2 SER A 81 28.640 -9.531 -27.880 1.00 32.25 H new ATOM 0 HB3 SER A 81 29.279 -9.062 -26.316 1.00 32.25 H new ATOM 0 HG SER A 81 27.519 -11.272 -26.837 1.00 4.53 H new ATOM 174 N SER A 82 27.211 -6.823 -24.987 1.00 64.12 N ATOM 175 CA SER A 82 27.529 -5.479 -24.521 1.00 73.52 C ATOM 176 C SER A 82 27.027 -4.429 -25.508 1.00 10.43 C ATOM 177 O SER A 82 27.802 -3.618 -26.016 1.00 22.43 O ATOM 178 CB SER A 82 29.039 -5.328 -24.324 1.00 44.04 C ATOM 179 OG SER A 82 29.458 -5.936 -23.114 1.00 54.11 O ATOM 0 H SER A 82 26.698 -7.392 -24.314 1.00 64.12 H new ATOM 0 HA SER A 82 27.028 -5.325 -23.566 1.00 73.52 H new ATOM 0 HB2 SER A 82 29.566 -5.781 -25.164 1.00 44.04 H new ATOM 0 HB3 SER A 82 29.304 -4.271 -24.314 1.00 44.04 H new ATOM 0 HG SER A 82 30.427 -5.828 -23.012 1.00 54.11 H new ATOM 185 N ILE A 83 25.726 -4.452 -25.775 1.00 3.54 N ATOM 186 CA ILE A 83 25.119 -3.502 -26.700 1.00 1.04 C ATOM 187 C ILE A 83 25.381 -2.065 -26.262 1.00 52.44 C ATOM 188 O ILE A 83 25.646 -1.191 -27.088 1.00 74.14 O ATOM 189 CB ILE A 83 23.600 -3.722 -26.817 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.981 -2.678 -27.748 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.948 -3.668 -25.443 1.00 13.24 C ATOM 192 CD1 ILE A 83 21.631 -3.082 -28.297 1.00 71.04 C ATOM 0 H ILE A 83 25.072 -5.118 -25.364 1.00 3.54 H new ATOM 0 HA ILE A 83 25.578 -3.672 -27.674 1.00 1.04 H new ATOM 0 HB ILE A 83 23.424 -4.710 -27.242 1.00 20.12 H new ATOM 0 HG12 ILE A 83 22.877 -1.737 -27.208 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.662 -2.495 -28.579 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.874 -3.825 -25.543 1.00 13.24 H new ATOM 0 HG22 ILE A 83 23.371 -4.447 -24.809 1.00 13.24 H new ATOM 0 HG23 ILE A 83 23.131 -2.693 -24.991 1.00 13.24 H new ATOM 0 HD11 ILE A 83 21.253 -2.294 -28.949 1.00 71.04 H new ATOM 0 HD12 ILE A 83 21.731 -4.006 -28.866 1.00 71.04 H new ATOM 0 HD13 ILE A 83 20.935 -3.237 -27.473 1.00 71.04 H new ATOM 204 N PHE A 84 25.305 -1.827 -24.957 1.00 22.43 N ATOM 205 CA PHE A 84 25.535 -0.496 -24.408 1.00 52.22 C ATOM 206 C PHE A 84 26.857 0.080 -24.910 1.00 1.23 C ATOM 207 O PHE A 84 26.886 1.133 -25.547 1.00 0.11 O ATOM 208 CB PHE A 84 25.535 -0.544 -22.879 1.00 51.20 C ATOM 209 CG PHE A 84 24.237 -1.024 -22.294 1.00 42.14 C ATOM 210 CD1 PHE A 84 24.124 -2.308 -21.787 1.00 24.13 C ATOM 211 CD2 PHE A 84 23.131 -0.191 -22.252 1.00 23.11 C ATOM 212 CE1 PHE A 84 22.931 -2.752 -21.247 1.00 43.41 C ATOM 213 CE2 PHE A 84 21.936 -0.629 -21.714 1.00 3.54 C ATOM 214 CZ PHE A 84 21.835 -1.912 -21.213 1.00 63.45 C ATOM 0 H PHE A 84 25.086 -2.539 -24.260 1.00 22.43 H new ATOM 0 HA PHE A 84 24.726 0.152 -24.744 1.00 52.22 H new ATOM 0 HB2 PHE A 84 26.339 -1.199 -22.544 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.752 0.452 -22.492 1.00 51.20 H new ATOM 0 HD1 PHE A 84 24.977 -2.970 -21.814 1.00 24.13 H new ATOM 0 HD2 PHE A 84 23.204 0.813 -22.644 1.00 23.11 H new ATOM 0 HE1 PHE A 84 22.856 -3.754 -20.852 1.00 43.41 H new ATOM 0 HE2 PHE A 84 21.082 0.031 -21.685 1.00 3.54 H new ATOM 0 HZ PHE A 84 20.901 -2.258 -20.795 1.00 63.45 H new ATOM 224 N CYS A 85 27.948 -0.620 -24.618 1.00 41.44 N ATOM 225 CA CYS A 85 29.273 -0.179 -25.038 1.00 10.24 C ATOM 226 C CYS A 85 29.428 -0.287 -26.551 1.00 23.33 C ATOM 227 O CYS A 85 30.081 0.547 -27.178 1.00 44.32 O ATOM 228 CB CYS A 85 30.353 -1.008 -24.342 1.00 12.32 C ATOM 229 SG CYS A 85 32.031 -0.373 -24.567 1.00 24.32 S ATOM 0 H CYS A 85 27.941 -1.494 -24.093 1.00 41.44 H new ATOM 0 HA CYS A 85 29.388 0.867 -24.753 1.00 10.24 H new ATOM 0 HB2 CYS A 85 30.132 -1.051 -23.275 1.00 12.32 H new ATOM 0 HB3 CYS A 85 30.310 -2.030 -24.718 1.00 12.32 H new ATOM 0 HG CYS A 85 32.873 -1.140 -23.940 1.00 24.32 H new ATOM 235 N GLU A 86 28.824 -1.320 -27.130 1.00 41.31 N ATOM 236 CA GLU A 86 28.897 -1.538 -28.570 1.00 23.33 C ATOM 237 C GLU A 86 28.422 -0.305 -29.332 1.00 54.43 C ATOM 238 O GLU A 86 28.811 -0.078 -30.478 1.00 14.41 O ATOM 239 CB GLU A 86 28.057 -2.753 -28.969 1.00 70.34 C ATOM 240 CG GLU A 86 28.340 -3.254 -30.374 1.00 12.31 C ATOM 241 CD GLU A 86 27.762 -4.632 -30.629 1.00 71.01 C ATOM 242 OE1 GLU A 86 28.186 -5.282 -31.608 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.887 -5.062 -29.849 1.00 72.23 O1- ATOM 0 H GLU A 86 28.279 -2.019 -26.624 1.00 41.31 H new ATOM 0 HA GLU A 86 29.939 -1.725 -28.830 1.00 23.33 H new ATOM 0 HB2 GLU A 86 28.242 -3.560 -28.260 1.00 70.34 H new ATOM 0 HB3 GLU A 86 27.001 -2.495 -28.890 1.00 70.34 H new ATOM 0 HG2 GLU A 86 27.926 -2.551 -31.097 1.00 12.31 H new ATOM 0 HG3 GLU A 86 29.418 -3.280 -30.536 1.00 12.31 H new ATOM 250 N LYS A 87 27.575 0.492 -28.687 1.00 3.45 N ATOM 251 CA LYS A 87 27.044 1.702 -29.301 1.00 44.40 C ATOM 252 C LYS A 87 28.166 2.544 -29.903 1.00 54.55 C ATOM 253 O LYS A 87 27.958 3.264 -30.880 1.00 13.23 O ATOM 254 CB LYS A 87 26.272 2.527 -28.269 1.00 41.11 C ATOM 255 CG LYS A 87 24.894 1.972 -27.955 1.00 30.21 C ATOM 256 CD LYS A 87 23.969 2.065 -29.157 1.00 62.43 C ATOM 257 CE LYS A 87 22.571 1.564 -28.826 1.00 44.42 C ATOM 258 NZ LYS A 87 21.560 2.054 -29.802 1.00 70.52 N1+ ATOM 0 H LYS A 87 27.242 0.320 -27.738 1.00 3.45 H new ATOM 0 HA LYS A 87 26.366 1.405 -30.101 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.853 2.577 -27.348 1.00 41.11 H new ATOM 0 HB3 LYS A 87 26.168 3.548 -28.636 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.982 0.932 -27.642 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.462 2.521 -27.118 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.915 3.099 -29.496 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.381 1.481 -29.980 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.569 0.474 -28.817 1.00 44.42 H new ATOM 0 HE3 LYS A 87 22.296 1.891 -27.823 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.621 1.691 -29.541 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.544 3.094 -29.792 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.808 1.720 -30.755 1.00 70.52 H new ATOM 272 N TYR A 88 29.353 2.447 -29.315 1.00 73.21 N ATOM 273 CA TYR A 88 30.506 3.200 -29.792 1.00 74.10 C ATOM 274 C TYR A 88 30.679 3.034 -31.299 1.00 50.10 C ATOM 275 O TYR A 88 31.156 3.939 -31.984 1.00 0.51 O ATOM 276 CB TYR A 88 31.774 2.743 -29.069 1.00 0.31 C ATOM 277 CG TYR A 88 32.450 1.558 -29.722 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.840 0.309 -29.741 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.698 1.686 -30.319 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.452 -0.776 -30.336 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.318 0.606 -30.917 1.00 45.43 C ATOM 282 CZ TYR A 88 33.691 -0.624 -30.923 1.00 51.51 C ATOM 283 OH TYR A 88 34.306 -1.702 -31.516 1.00 33.11 O ATOM 0 H TYR A 88 29.542 1.854 -28.507 1.00 73.21 H new ATOM 0 HA TYR A 88 30.333 4.255 -29.578 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.478 3.574 -29.027 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.523 2.486 -28.040 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.870 0.185 -29.282 1.00 4.10 H new ATOM 0 HD2 TYR A 88 34.192 2.646 -30.316 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.963 -1.739 -30.342 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.288 0.723 -31.377 1.00 45.43 H new ATOM 0 HH TYR A 88 35.171 -1.424 -31.882 1.00 33.11 H new ATOM 293 N LYS A 89 30.286 1.872 -31.809 1.00 34.53 N ATOM 294 CA LYS A 89 30.393 1.586 -33.235 1.00 32.43 C ATOM 295 C LYS A 89 29.397 2.420 -34.034 1.00 22.43 C ATOM 296 O LYS A 89 29.786 3.222 -34.881 1.00 3.10 O ATOM 297 CB LYS A 89 30.154 0.097 -33.496 1.00 53.34 C ATOM 298 CG LYS A 89 30.337 -0.301 -34.951 1.00 63.43 C ATOM 299 CD LYS A 89 29.456 -1.485 -35.319 1.00 14.45 C ATOM 300 CE LYS A 89 29.152 -1.509 -36.809 1.00 72.22 C ATOM 301 NZ LYS A 89 28.762 -2.870 -37.273 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.890 1.112 -31.256 1.00 34.53 H new ATOM 0 HA LYS A 89 31.400 1.848 -33.558 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.838 -0.486 -32.879 1.00 53.34 H new ATOM 0 HB3 LYS A 89 29.143 -0.161 -33.182 1.00 53.34 H new ATOM 0 HG2 LYS A 89 30.098 0.546 -35.594 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.382 -0.553 -35.132 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.952 -2.412 -35.032 1.00 14.45 H new ATOM 0 HD3 LYS A 89 28.524 -1.435 -34.757 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.348 -0.806 -37.027 1.00 72.22 H new ATOM 0 HE3 LYS A 89 30.028 -1.173 -37.364 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 28.563 -2.845 -38.293 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 29.539 -3.536 -37.088 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 27.911 -3.181 -36.762 1.00 43.33 H new ATOM 315 N GLN A 90 28.112 2.225 -33.756 1.00 2.13 N ATOM 316 CA GLN A 90 27.061 2.961 -34.449 1.00 14.13 C ATOM 317 C GLN A 90 27.296 4.465 -34.354 1.00 2.13 C ATOM 318 O GLN A 90 27.186 5.186 -35.346 1.00 41.43 O ATOM 319 CB GLN A 90 25.692 2.608 -33.865 1.00 44.13 C ATOM 320 CG GLN A 90 24.558 2.703 -34.872 1.00 72.41 C ATOM 321 CD GLN A 90 23.193 2.728 -34.215 1.00 65.22 C ATOM 322 OE1 GLN A 90 22.353 3.569 -34.532 1.00 14.22 O ATOM 323 NE2 GLN A 90 22.964 1.801 -33.291 1.00 61.02 N ATOM 0 H GLN A 90 27.774 1.564 -33.056 1.00 2.13 H new ATOM 0 HA GLN A 90 27.084 2.674 -35.500 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.727 1.595 -33.465 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.481 3.274 -33.028 1.00 44.13 H new ATOM 0 HG2 GLN A 90 24.685 3.604 -35.472 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.612 1.855 -35.555 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.689 1.122 -33.059 1.00 61.02 H new ATOM 0 HE22 GLN A 90 22.063 1.768 -32.814 1.00 61.02 H new ATOM 332 N THR A 91 27.618 4.934 -33.152 1.00 22.11 N ATOM 333 CA THR A 91 27.867 6.352 -32.927 1.00 23.40 C ATOM 334 C THR A 91 29.052 6.841 -33.752 1.00 53.31 C ATOM 335 O THR A 91 28.931 7.788 -34.530 1.00 13.14 O ATOM 336 CB THR A 91 28.137 6.645 -31.438 1.00 43.34 C ATOM 337 OG1 THR A 91 29.275 5.899 -30.991 1.00 21.23 O ATOM 338 CG2 THR A 91 26.927 6.290 -30.588 1.00 21.32 C ATOM 0 H THR A 91 27.712 4.352 -32.320 1.00 22.11 H new ATOM 0 HA THR A 91 26.968 6.884 -33.238 1.00 23.40 H new ATOM 0 HB THR A 91 28.336 7.711 -31.331 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.028 4.956 -30.888 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.142 6.505 -29.541 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.069 6.880 -30.911 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.701 5.230 -30.701 1.00 21.32 H new ATOM 346 N LYS A 92 30.196 6.190 -33.579 1.00 31.12 N ATOM 347 CA LYS A 92 31.404 6.557 -34.309 1.00 63.03 C ATOM 348 C LYS A 92 31.134 6.622 -35.809 1.00 75.23 C ATOM 349 O LYS A 92 31.540 7.570 -36.481 1.00 51.33 O ATOM 350 CB LYS A 92 32.522 5.552 -34.024 1.00 4.45 C ATOM 351 CG LYS A 92 33.854 5.930 -34.650 1.00 1.42 C ATOM 352 CD LYS A 92 35.013 5.643 -33.708 1.00 63.25 C ATOM 353 CE LYS A 92 34.978 6.551 -32.489 1.00 65.32 C ATOM 354 NZ LYS A 92 36.326 7.094 -32.164 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.313 5.404 -32.939 1.00 31.12 H new ATOM 0 HA LYS A 92 31.717 7.545 -33.971 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.650 5.460 -32.945 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.221 4.572 -34.394 1.00 4.45 H new ATOM 0 HG2 LYS A 92 33.992 5.375 -35.578 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.848 6.989 -34.910 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.974 4.602 -33.389 1.00 63.25 H new ATOM 0 HD3 LYS A 92 35.956 5.779 -34.238 1.00 63.25 H new ATOM 0 HE2 LYS A 92 34.288 7.375 -32.670 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.594 5.996 -31.633 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 36.678 6.650 -31.292 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 36.980 6.889 -32.946 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.262 8.123 -32.026 1.00 44.20 H new ATOM 368 N GLU A 93 30.446 5.609 -36.326 1.00 42.21 N ATOM 369 CA GLU A 93 30.122 5.553 -37.747 1.00 71.42 C ATOM 370 C GLU A 93 29.270 6.750 -38.158 1.00 60.11 C ATOM 371 O GLU A 93 29.525 7.383 -39.182 1.00 73.42 O ATOM 372 CB GLU A 93 29.386 4.251 -38.074 1.00 74.41 C ATOM 373 CG GLU A 93 28.854 4.194 -39.496 1.00 73.24 C ATOM 374 CD GLU A 93 28.638 2.774 -39.981 1.00 1.03 C ATOM 375 OE1 GLU A 93 28.687 1.848 -39.145 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.420 2.588 -41.196 1.00 60.10 O1- ATOM 0 H GLU A 93 30.103 4.817 -35.783 1.00 42.21 H new ATOM 0 HA GLU A 93 31.056 5.584 -38.308 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.062 3.411 -37.914 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.555 4.128 -37.379 1.00 74.41 H new ATOM 0 HG2 GLU A 93 27.912 4.740 -39.550 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.553 4.699 -40.162 1.00 73.24 H new ATOM 383 N GLN A 94 28.256 7.051 -37.352 1.00 40.54 N ATOM 384 CA GLN A 94 27.365 8.171 -37.633 1.00 30.21 C ATOM 385 C GLN A 94 28.134 9.488 -37.647 1.00 52.42 C ATOM 386 O GLN A 94 27.814 10.396 -38.413 1.00 15.43 O ATOM 387 CB GLN A 94 26.245 8.232 -36.593 1.00 23.31 C ATOM 388 CG GLN A 94 24.957 7.563 -37.047 1.00 1.33 C ATOM 389 CD GLN A 94 23.931 7.460 -35.935 1.00 51.31 C ATOM 390 OE1 GLN A 94 22.985 8.246 -35.873 1.00 50.12 O ATOM 391 NE2 GLN A 94 24.112 6.487 -35.050 1.00 14.24 N ATOM 0 H GLN A 94 28.031 6.536 -36.501 1.00 40.54 H new ATOM 0 HA GLN A 94 26.928 8.016 -38.619 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.587 7.756 -35.674 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.038 9.275 -36.354 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.532 8.127 -37.878 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.183 6.565 -37.422 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.910 5.858 -35.140 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.453 6.368 -34.281 1.00 14.24 H new ATOM 400 N ALA A 95 29.150 9.585 -36.795 1.00 25.00 N ATOM 401 CA ALA A 95 29.964 10.790 -36.711 1.00 45.15 C ATOM 402 C ALA A 95 30.806 10.972 -37.969 1.00 70.10 C ATOM 403 O ALA A 95 30.673 11.970 -38.679 1.00 11.14 O ATOM 404 CB ALA A 95 30.857 10.739 -35.480 1.00 72.43 C ATOM 0 H ALA A 95 29.428 8.843 -36.153 1.00 25.00 H new ATOM 0 HA ALA A 95 29.294 11.646 -36.626 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.460 11.646 -35.430 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.239 10.664 -34.585 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.513 9.870 -35.542 1.00 72.43 H new ATOM 410 N LEU A 96 31.674 10.004 -38.240 1.00 21.34 N ATOM 411 CA LEU A 96 32.539 10.058 -39.414 1.00 71.41 C ATOM 412 C LEU A 96 31.718 10.245 -40.687 1.00 65.14 C ATOM 413 O LEU A 96 32.133 10.949 -41.608 1.00 60.24 O ATOM 414 CB LEU A 96 33.373 8.780 -39.516 1.00 41.41 C ATOM 415 CG LEU A 96 32.605 7.464 -39.396 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.120 7.003 -40.763 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.473 6.395 -38.748 1.00 62.41 C ATOM 0 H LEU A 96 31.798 9.172 -37.663 1.00 21.34 H new ATOM 0 HA LEU A 96 33.206 10.913 -39.304 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.895 8.787 -40.473 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.135 8.805 -38.737 1.00 41.41 H new ATOM 0 HG LEU A 96 31.735 7.630 -38.761 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.575 6.065 -40.658 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.461 7.759 -41.189 1.00 0.51 H new ATOM 0 HD13 LEU A 96 32.976 6.854 -41.422 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.909 5.466 -38.671 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.362 6.230 -39.356 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.770 6.722 -37.752 1.00 62.41 H new ATOM 429 N THR A 97 30.550 9.611 -40.730 1.00 53.12 N ATOM 430 CA THR A 97 29.671 9.708 -41.890 1.00 4.23 C ATOM 431 C THR A 97 29.161 11.133 -42.074 1.00 42.31 C ATOM 432 O THR A 97 29.194 11.677 -43.178 1.00 43.35 O ATOM 433 CB THR A 97 28.467 8.756 -41.762 1.00 75.23 C ATOM 434 OG1 THR A 97 27.885 8.873 -40.459 1.00 52.14 O ATOM 435 CG2 THR A 97 28.888 7.315 -42.007 1.00 3.45 C ATOM 0 H THR A 97 30.191 9.025 -39.976 1.00 53.12 H new ATOM 0 HA THR A 97 30.261 9.421 -42.760 1.00 4.23 H new ATOM 0 HB THR A 97 27.730 9.036 -42.515 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.196 8.135 -39.894 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.021 6.661 -41.911 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.303 7.223 -43.011 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.642 7.027 -41.275 1.00 3.45 H new ATOM 443 N PHE A 98 28.690 11.733 -40.987 1.00 64.32 N ATOM 444 CA PHE A 98 28.173 13.096 -41.029 1.00 20.12 C ATOM 445 C PHE A 98 29.306 14.103 -41.211 1.00 70.44 C ATOM 446 O PHE A 98 29.099 15.196 -41.739 1.00 24.53 O ATOM 447 CB PHE A 98 27.398 13.411 -39.748 1.00 4.32 C ATOM 448 CG PHE A 98 27.981 14.547 -38.958 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.654 15.858 -39.261 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.858 14.304 -37.913 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.188 16.907 -38.536 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.396 15.348 -37.183 1.00 2.32 C ATOM 453 CZ PHE A 98 29.061 16.651 -37.497 1.00 14.52 C ATOM 0 H PHE A 98 28.655 11.297 -40.065 1.00 64.32 H new ATOM 0 HA PHE A 98 27.499 13.175 -41.882 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.367 13.651 -40.007 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.371 12.520 -39.121 1.00 4.32 H new ATOM 0 HD1 PHE A 98 26.973 16.064 -40.074 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.125 13.287 -37.666 1.00 24.22 H new ATOM 0 HE1 PHE A 98 27.923 17.925 -38.782 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.077 15.145 -36.369 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.481 17.469 -36.930 1.00 14.52 H new ATOM 463 N PHE A 99 30.501 13.725 -40.772 1.00 61.53 N ATOM 464 CA PHE A 99 31.667 14.594 -40.885 1.00 61.41 C ATOM 465 C PHE A 99 32.271 14.514 -42.284 1.00 60.30 C ATOM 466 O PHE A 99 32.774 15.506 -42.811 1.00 64.11 O ATOM 467 CB PHE A 99 32.717 14.212 -39.840 1.00 43.00 C ATOM 468 CG PHE A 99 33.934 15.094 -39.863 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.090 14.683 -40.505 1.00 21.55 C ATOM 470 CD2 PHE A 99 33.919 16.331 -39.241 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.212 15.492 -40.528 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.036 17.145 -39.261 1.00 44.24 C ATOM 473 CZ PHE A 99 36.185 16.724 -39.904 1.00 54.34 C ATOM 0 H PHE A 99 30.688 12.823 -40.335 1.00 61.53 H new ATOM 0 HA PHE A 99 31.344 15.620 -40.706 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.265 14.256 -38.849 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.023 13.179 -40.005 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.116 13.720 -40.993 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.025 16.663 -38.735 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.107 15.161 -41.033 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.011 18.109 -38.775 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.060 17.357 -39.918 1.00 54.34 H new ATOM 483 N GLN A 100 32.218 13.326 -42.877 1.00 31.14 N ATOM 484 CA GLN A 100 32.762 13.115 -44.215 1.00 2.22 C ATOM 485 C GLN A 100 31.753 13.525 -45.282 1.00 64.05 C ATOM 486 O GLN A 100 32.124 14.062 -46.325 1.00 14.00 O ATOM 487 CB GLN A 100 33.156 11.650 -44.403 1.00 53.03 C ATOM 488 CG GLN A 100 34.527 11.311 -43.839 1.00 64.35 C ATOM 489 CD GLN A 100 34.780 9.818 -43.778 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.629 9.292 -44.498 1.00 24.00 O ATOM 491 NE2 GLN A 100 34.045 9.127 -42.915 1.00 14.41 N ATOM 0 H GLN A 100 31.805 12.495 -42.454 1.00 31.14 H new ATOM 0 HA GLN A 100 33.650 13.738 -44.322 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.409 11.017 -43.924 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.141 11.412 -45.467 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.295 11.781 -44.454 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.618 11.732 -42.838 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.353 9.604 -42.338 1.00 14.41 H new ATOM 0 HE22 GLN A 100 34.173 8.119 -42.829 1.00 14.41 H new ATOM 500 N GLU A 101 30.477 13.265 -45.015 1.00 35.51 N ATOM 501 CA GLU A 101 29.415 13.605 -45.955 1.00 4.42 C ATOM 502 C GLU A 101 29.151 15.108 -45.956 1.00 73.11 C ATOM 503 O GLU A 101 28.923 15.708 -47.007 1.00 13.41 O ATOM 504 CB GLU A 101 28.131 12.851 -45.603 1.00 74.32 C ATOM 505 CG GLU A 101 28.207 11.358 -45.879 1.00 62.12 C ATOM 506 CD GLU A 101 28.154 11.036 -47.361 1.00 61.35 C ATOM 507 OE1 GLU A 101 27.149 11.393 -48.009 1.00 22.34 O ATOM 508 OE2 GLU A 101 29.118 10.427 -47.870 1.00 61.22 O1- ATOM 0 H GLU A 101 30.154 12.820 -44.156 1.00 35.51 H new ATOM 0 HA GLU A 101 29.739 13.309 -46.953 1.00 4.42 H new ATOM 0 HB2 GLU A 101 27.906 13.006 -44.548 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.303 13.275 -46.171 1.00 74.32 H new ATOM 0 HG2 GLU A 101 29.130 10.961 -45.457 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.383 10.856 -45.372 1.00 62.12 H new ATOM 515 N HIS A 102 29.183 15.710 -44.771 1.00 15.43 N ATOM 516 CA HIS A 102 28.947 17.142 -44.635 1.00 21.40 C ATOM 517 C HIS A 102 30.045 17.798 -43.804 1.00 72.54 C ATOM 518 O HIS A 102 29.814 18.279 -42.694 1.00 40.35 O ATOM 519 CB HIS A 102 27.583 17.397 -43.992 1.00 2.24 C ATOM 520 CG HIS A 102 26.434 17.235 -44.939 1.00 13.40 C ATOM 521 ND1 HIS A 102 25.866 16.012 -45.229 1.00 73.30 N ATOM 522 CD2 HIS A 102 25.746 18.149 -45.661 1.00 34.24 C ATOM 523 CE1 HIS A 102 24.879 16.182 -46.090 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.785 17.470 -46.369 1.00 62.12 N ATOM 0 H HIS A 102 29.370 15.228 -43.892 1.00 15.43 H new ATOM 0 HA HIS A 102 28.959 17.583 -45.632 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.452 16.712 -43.154 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.566 18.407 -43.583 1.00 2.24 H new ATOM 0 HD2 HIS A 102 25.920 19.215 -45.678 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.255 15.401 -46.497 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.109 17.891 -47.006 1.00 62.12 H new ATOM 533 N PRO A 103 31.270 17.817 -44.350 1.00 40.25 N ATOM 534 CA PRO A 103 32.428 18.410 -43.675 1.00 34.11 C ATOM 535 C PRO A 103 32.335 19.930 -43.591 1.00 22.13 C ATOM 536 O PRO A 103 32.922 20.642 -44.405 1.00 74.22 O ATOM 537 CB PRO A 103 33.606 17.995 -44.562 1.00 54.42 C ATOM 538 CG PRO A 103 33.008 17.783 -45.910 1.00 30.51 C ATOM 539 CD PRO A 103 31.618 17.263 -45.669 1.00 20.03 C ATOM 0 HA PRO A 103 32.514 18.073 -42.642 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.374 18.768 -44.587 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.080 17.086 -44.191 1.00 54.42 H new ATOM 0 HG2 PRO A 103 32.984 18.714 -46.477 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.596 17.072 -46.490 1.00 30.51 H new ATOM 0 HD2 PRO A 103 30.925 17.597 -46.441 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.591 16.173 -45.667 1.00 20.03 H new ATOM 547 N GLN A 104 31.595 20.418 -42.601 1.00 53.52 N ATOM 548 CA GLN A 104 31.425 21.854 -42.411 1.00 32.12 C ATOM 549 C GLN A 104 32.756 22.520 -42.076 1.00 3.31 C ATOM 550 O GLN A 104 33.021 23.647 -42.495 1.00 4.35 O ATOM 551 CB GLN A 104 30.411 22.127 -41.300 1.00 52.22 C ATOM 552 CG GLN A 104 29.612 23.403 -41.504 1.00 72.42 C ATOM 553 CD GLN A 104 28.729 23.737 -40.318 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.504 23.773 -40.432 1.00 50.22 O ATOM 555 NE2 GLN A 104 29.349 23.982 -39.169 1.00 43.34 N ATOM 0 H GLN A 104 31.104 19.841 -41.918 1.00 53.52 H new ATOM 0 HA GLN A 104 31.053 22.276 -43.344 1.00 32.12 H new ATOM 0 HB2 GLN A 104 29.723 21.284 -41.233 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.936 22.186 -40.347 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.297 24.231 -41.686 1.00 72.42 H new ATOM 0 HG3 GLN A 104 28.993 23.300 -42.395 1.00 72.42 H new ATOM 0 HE21 GLN A 104 30.367 23.941 -39.120 1.00 43.34 H new ATOM 0 HE22 GLN A 104 28.807 24.211 -38.336 1.00 43.34 H new ATOM 564 N TYR A 105 33.590 21.816 -41.319 1.00 14.32 N ATOM 565 CA TYR A 105 34.892 22.340 -40.925 1.00 65.43 C ATOM 566 C TYR A 105 35.736 22.680 -42.150 1.00 72.42 C ATOM 567 O TYR A 105 36.518 23.630 -42.133 1.00 15.51 O ATOM 568 CB TYR A 105 35.630 21.325 -40.050 1.00 13.44 C ATOM 569 CG TYR A 105 37.042 21.739 -39.701 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.116 21.355 -40.494 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.301 22.517 -38.580 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.407 21.730 -40.179 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.590 22.899 -38.258 1.00 62.22 C ATOM 574 CZ TYR A 105 39.639 22.502 -39.060 1.00 63.32 C ATOM 575 OH TYR A 105 40.923 22.880 -38.743 1.00 2.35 O ATOM 0 H TYR A 105 33.387 20.881 -40.966 1.00 14.32 H new ATOM 0 HA TYR A 105 34.730 23.253 -40.353 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.067 21.174 -39.129 1.00 13.44 H new ATOM 0 HB3 TYR A 105 35.659 20.366 -40.567 1.00 13.44 H new ATOM 0 HD1 TYR A 105 37.938 20.752 -41.372 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.482 22.829 -37.949 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.231 21.420 -40.805 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.774 23.505 -37.383 1.00 62.22 H new ATOM 0 HH TYR A 105 40.912 23.421 -37.926 1.00 2.35 H new ATOM 585 N MET A 106 35.569 21.898 -43.211 1.00 2.13 N ATOM 586 CA MET A 106 36.313 22.117 -44.446 1.00 12.33 C ATOM 587 C MET A 106 35.772 23.328 -45.198 1.00 34.43 C ATOM 588 O MET A 106 36.481 23.941 -45.997 1.00 14.31 O ATOM 589 CB MET A 106 36.241 20.875 -45.336 1.00 2.20 C ATOM 590 CG MET A 106 36.914 21.057 -46.688 1.00 33.23 C ATOM 591 SD MET A 106 38.679 21.391 -46.545 1.00 45.54 S ATOM 592 CE MET A 106 39.362 19.778 -46.919 1.00 62.30 C ATOM 0 H MET A 106 34.925 21.107 -43.241 1.00 2.13 H new ATOM 0 HA MET A 106 37.354 22.309 -44.186 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.708 20.038 -44.817 1.00 2.20 H new ATOM 0 HB3 MET A 106 35.195 20.610 -45.492 1.00 2.20 H new ATOM 0 HG2 MET A 106 36.765 20.159 -47.287 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.435 21.878 -47.221 1.00 33.23 H new ATOM 0 HE1 MET A 106 40.450 19.823 -46.870 1.00 62.30 H new ATOM 0 HE2 MET A 106 38.996 19.051 -46.194 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.056 19.477 -47.921 1.00 62.30 H new ATOM 602 N ARG A 107 34.513 23.668 -44.938 1.00 64.32 N ATOM 603 CA ARG A 107 33.879 24.806 -45.593 1.00 35.05 C ATOM 604 C ARG A 107 34.154 26.097 -44.826 1.00 22.20 C ATOM 605 O ARG A 107 34.438 27.136 -45.422 1.00 15.10 O ATOM 606 CB ARG A 107 32.371 24.580 -45.707 1.00 40.51 C ATOM 607 CG ARG A 107 31.688 25.510 -46.695 1.00 44.25 C ATOM 608 CD ARG A 107 30.186 25.275 -46.735 1.00 14.22 C ATOM 609 NE ARG A 107 29.464 26.437 -47.249 1.00 62.33 N ATOM 610 CZ ARG A 107 29.347 26.715 -48.543 1.00 43.41 C ATOM 611 NH1 ARG A 107 29.900 25.920 -49.448 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 28.675 27.790 -48.933 1.00 71.14 N ATOM 0 H ARG A 107 33.913 23.172 -44.279 1.00 64.32 H new ATOM 0 HA ARG A 107 34.302 24.900 -46.593 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.189 23.548 -46.007 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.917 24.711 -44.725 1.00 40.51 H new ATOM 0 HG2 ARG A 107 31.888 26.545 -46.420 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.108 25.358 -47.689 1.00 44.25 H new ATOM 0 HD2 ARG A 107 29.971 24.409 -47.361 1.00 14.22 H new ATOM 0 HD3 ARG A 107 29.829 25.041 -45.732 1.00 14.22 H new ATOM 0 HE ARG A 107 29.026 27.069 -46.578 1.00 62.33 H new ATOM 0 HH11 ARG A 107 30.417 25.092 -49.152 1.00 11.24 H new ATOM 0 HH12 ARG A 107 29.808 26.136 -50.441 1.00 11.24 H new ATOM 0 HH21 ARG A 107 28.248 28.404 -48.239 1.00 71.14 H new ATOM 0 HH22 ARG A 107 28.586 28.003 -49.927 1.00 71.14 H new ATOM 626 N SER A 108 34.066 26.022 -43.502 1.00 32.45 N ATOM 627 CA SER A 108 34.300 27.185 -42.654 1.00 62.54 C ATOM 628 C SER A 108 34.720 26.759 -41.251 1.00 72.04 C ATOM 629 O SER A 108 33.922 26.208 -40.492 1.00 3.11 O ATOM 630 CB SER A 108 33.042 28.053 -42.582 1.00 72.53 C ATOM 631 OG SER A 108 31.929 27.385 -43.150 1.00 0.01 O ATOM 0 H SER A 108 33.835 25.169 -42.993 1.00 32.45 H new ATOM 0 HA SER A 108 35.109 27.768 -43.095 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.828 28.304 -41.543 1.00 72.53 H new ATOM 0 HB3 SER A 108 33.214 28.992 -43.108 1.00 72.53 H new ATOM 0 HG SER A 108 31.137 27.960 -43.090 1.00 0.01 H new ATOM 637 N LYS A 109 35.978 27.018 -40.912 1.00 71.21 N ATOM 638 CA LYS A 109 36.506 26.664 -39.599 1.00 31.02 C ATOM 639 C LYS A 109 35.604 27.193 -38.489 1.00 3.25 C ATOM 640 O LYS A 109 35.383 26.519 -37.483 1.00 50.22 O ATOM 641 CB LYS A 109 37.921 27.219 -39.429 1.00 21.34 C ATOM 642 CG LYS A 109 38.009 28.725 -39.606 1.00 52.33 C ATOM 643 CD LYS A 109 39.372 29.147 -40.128 1.00 1.02 C ATOM 644 CE LYS A 109 40.367 29.342 -38.994 1.00 51.12 C ATOM 645 NZ LYS A 109 41.488 30.240 -39.386 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.652 27.472 -41.529 1.00 71.21 H new ATOM 0 HA LYS A 109 36.538 25.577 -39.529 1.00 31.02 H new ATOM 0 HB2 LYS A 109 38.289 26.956 -38.437 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.580 26.738 -40.151 1.00 21.34 H new ATOM 0 HG2 LYS A 109 37.235 29.057 -40.298 1.00 52.33 H new ATOM 0 HG3 LYS A 109 37.816 29.216 -38.652 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.748 28.392 -40.818 1.00 1.02 H new ATOM 0 HD3 LYS A 109 39.276 30.074 -40.692 1.00 1.02 H new ATOM 0 HE2 LYS A 109 39.853 29.760 -38.128 1.00 51.12 H new ATOM 0 HE3 LYS A 109 40.766 28.374 -38.691 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 42.143 30.347 -38.586 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 41.995 29.829 -40.196 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 41.110 31.172 -39.651 1.00 73.22 H new ATOM 659 N GLU A 110 35.084 28.401 -38.680 1.00 44.12 N ATOM 660 CA GLU A 110 34.205 29.019 -37.694 1.00 65.03 C ATOM 661 C GLU A 110 32.905 28.232 -37.556 1.00 4.22 C ATOM 662 O GLU A 110 32.350 28.117 -36.463 1.00 42.42 O ATOM 663 CB GLU A 110 33.900 30.465 -38.085 1.00 51.22 C ATOM 664 CG GLU A 110 33.133 30.593 -39.391 1.00 52.11 C ATOM 665 CD GLU A 110 33.266 31.970 -40.013 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.558 32.048 -41.225 1.00 50.24 O ATOM 667 OE2 GLU A 110 33.077 32.969 -39.289 1.00 64.00 O1- ATOM 0 H GLU A 110 35.256 28.971 -39.508 1.00 44.12 H new ATOM 0 HA GLU A 110 34.718 29.012 -36.732 1.00 65.03 H new ATOM 0 HB2 GLU A 110 33.324 30.935 -37.288 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.837 31.016 -38.168 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.495 29.844 -40.095 1.00 52.11 H new ATOM 0 HG3 GLU A 110 32.079 30.380 -39.212 1.00 52.11 H new ATOM 674 N ASP A 111 32.425 27.694 -38.671 1.00 31.12 N ATOM 675 CA ASP A 111 31.190 26.917 -38.675 1.00 2.31 C ATOM 676 C ASP A 111 31.303 25.712 -37.746 1.00 54.23 C ATOM 677 O ASP A 111 30.496 25.542 -36.834 1.00 72.33 O ATOM 678 CB ASP A 111 30.859 26.453 -40.095 1.00 61.15 C ATOM 679 CG ASP A 111 29.399 26.660 -40.445 1.00 72.04 C ATOM 680 OD1 ASP A 111 29.089 26.777 -41.649 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.566 26.704 -39.516 1.00 75.41 O1- ATOM 0 H ASP A 111 32.872 27.781 -39.584 1.00 31.12 H new ATOM 0 HA ASP A 111 30.385 27.557 -38.313 1.00 2.31 H new ATOM 0 HB2 ASP A 111 31.481 26.997 -40.806 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.108 25.397 -40.196 1.00 61.15 H new ATOM 686 N GLU A 112 32.309 24.877 -37.987 1.00 32.13 N ATOM 687 CA GLU A 112 32.526 23.687 -37.173 1.00 62.34 C ATOM 688 C GLU A 112 32.549 24.040 -35.689 1.00 34.15 C ATOM 689 O GLU A 112 32.020 23.303 -34.857 1.00 35.11 O ATOM 690 CB GLU A 112 33.836 23.004 -37.567 1.00 32.10 C ATOM 691 CG GLU A 112 34.142 21.758 -36.752 1.00 0.21 C ATOM 692 CD GLU A 112 33.325 20.558 -37.191 1.00 23.14 C ATOM 693 OE1 GLU A 112 33.896 19.450 -37.274 1.00 62.45 O ATOM 694 OE2 GLU A 112 32.116 20.728 -37.453 1.00 14.24 O1- ATOM 0 H GLU A 112 32.986 25.003 -38.739 1.00 32.13 H new ATOM 0 HA GLU A 112 31.699 23.000 -37.352 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.793 22.736 -38.623 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.655 23.714 -37.451 1.00 32.10 H new ATOM 0 HG2 GLU A 112 35.203 21.522 -36.840 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.947 21.960 -35.699 1.00 0.21 H new ATOM 701 N GLU A 113 33.166 25.172 -35.365 1.00 34.35 N ATOM 702 CA GLU A 113 33.260 25.622 -33.981 1.00 1.04 C ATOM 703 C GLU A 113 31.872 25.832 -33.382 1.00 62.52 C ATOM 704 O GLU A 113 31.521 25.216 -32.376 1.00 62.44 O ATOM 705 CB GLU A 113 34.065 26.920 -33.898 1.00 30.23 C ATOM 706 CG GLU A 113 35.569 26.706 -33.899 1.00 33.05 C ATOM 707 CD GLU A 113 36.328 27.889 -33.332 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.857 28.472 -32.332 1.00 5.24 O ATOM 709 OE2 GLU A 113 37.392 28.234 -33.887 1.00 53.21 O1- ATOM 0 H GLU A 113 33.608 25.794 -36.042 1.00 34.35 H new ATOM 0 HA GLU A 113 33.771 24.849 -33.408 1.00 1.04 H new ATOM 0 HB2 GLU A 113 33.797 27.558 -34.740 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.783 27.455 -32.991 1.00 30.23 H new ATOM 0 HG2 GLU A 113 35.806 25.815 -33.317 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.905 26.519 -34.919 1.00 33.05 H new ATOM 716 N GLN A 114 31.089 26.704 -34.008 1.00 21.15 N ATOM 717 CA GLN A 114 29.741 26.995 -33.536 1.00 15.15 C ATOM 718 C GLN A 114 28.937 25.712 -33.360 1.00 12.24 C ATOM 719 O GLN A 114 28.220 25.547 -32.371 1.00 54.31 O ATOM 720 CB GLN A 114 29.025 27.929 -34.515 1.00 72.44 C ATOM 721 CG GLN A 114 29.698 29.284 -34.665 1.00 22.33 C ATOM 722 CD GLN A 114 30.119 29.877 -33.334 1.00 62.33 C ATOM 723 OE1 GLN A 114 29.282 30.183 -32.485 1.00 32.25 O ATOM 724 NE2 GLN A 114 31.423 30.043 -33.145 1.00 40.41 N ATOM 0 H GLN A 114 31.365 27.221 -34.843 1.00 21.15 H new ATOM 0 HA GLN A 114 29.821 27.488 -32.567 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.974 27.448 -35.492 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.999 28.077 -34.178 1.00 72.44 H new ATOM 0 HG2 GLN A 114 30.574 29.182 -35.306 1.00 22.33 H new ATOM 0 HG3 GLN A 114 29.015 29.971 -35.165 1.00 22.33 H new ATOM 0 HE21 GLN A 114 32.082 29.776 -33.876 1.00 40.41 H new ATOM 0 HE22 GLN A 114 31.765 30.438 -32.269 1.00 40.41 H new ATOM 733 N LEU A 115 29.059 24.805 -34.323 1.00 24.11 N ATOM 734 CA LEU A 115 28.344 23.535 -34.274 1.00 72.35 C ATOM 735 C LEU A 115 28.814 22.690 -33.095 1.00 40.11 C ATOM 736 O LEU A 115 28.019 22.006 -32.452 1.00 41.13 O ATOM 737 CB LEU A 115 28.542 22.765 -35.581 1.00 4.21 C ATOM 738 CG LEU A 115 27.329 21.988 -36.092 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.550 21.538 -37.528 1.00 43.40 C ATOM 740 CD2 LEU A 115 27.044 20.793 -35.195 1.00 4.03 C ATOM 0 H LEU A 115 29.647 24.926 -35.148 1.00 24.11 H new ATOM 0 HA LEU A 115 27.283 23.748 -34.143 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.847 23.471 -36.353 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.366 22.065 -35.446 1.00 4.21 H new ATOM 0 HG LEU A 115 26.462 22.649 -36.069 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.676 20.986 -37.875 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.704 22.410 -38.163 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.428 20.894 -37.576 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.177 20.252 -35.574 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.910 20.131 -35.185 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.841 21.139 -34.182 1.00 4.03 H new ATOM 752 N MET A 116 30.113 22.744 -32.815 1.00 70.42 N ATOM 753 CA MET A 116 30.689 21.985 -31.711 1.00 64.52 C ATOM 754 C MET A 116 30.142 22.472 -30.373 1.00 75.03 C ATOM 755 O MET A 116 29.540 21.705 -29.621 1.00 41.14 O ATOM 756 CB MET A 116 32.214 22.103 -31.725 1.00 43.44 C ATOM 757 CG MET A 116 32.883 21.458 -30.522 1.00 45.44 C ATOM 758 SD MET A 116 32.573 19.685 -30.421 1.00 64.42 S ATOM 759 CE MET A 116 33.780 19.200 -29.189 1.00 64.32 C ATOM 0 H MET A 116 30.786 23.305 -33.337 1.00 70.42 H new ATOM 0 HA MET A 116 30.411 20.939 -31.838 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.598 21.642 -32.635 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.489 23.157 -31.762 1.00 43.44 H new ATOM 0 HG2 MET A 116 33.958 21.632 -30.572 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.524 21.938 -29.611 1.00 45.44 H new ATOM 0 HE1 MET A 116 33.544 18.201 -28.821 1.00 64.32 H new ATOM 0 HE2 MET A 116 34.774 19.196 -29.635 1.00 64.32 H new ATOM 0 HE3 MET A 116 33.757 19.907 -28.359 1.00 64.32 H new ATOM 769 N THR A 117 30.354 23.753 -30.083 1.00 23.24 N ATOM 770 CA THR A 117 29.884 24.340 -28.835 1.00 45.12 C ATOM 771 C THR A 117 28.395 24.082 -28.632 1.00 55.01 C ATOM 772 O THR A 117 27.966 23.692 -27.547 1.00 75.24 O ATOM 773 CB THR A 117 30.139 25.859 -28.799 1.00 45.34 C ATOM 774 OG1 THR A 117 29.524 26.432 -27.639 1.00 40.01 O ATOM 775 CG2 THR A 117 29.595 26.529 -30.051 1.00 22.51 C ATOM 0 H THR A 117 30.848 24.402 -30.695 1.00 23.24 H new ATOM 0 HA THR A 117 30.445 23.864 -28.031 1.00 45.12 H new ATOM 0 HB THR A 117 31.216 26.023 -28.757 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.692 27.397 -27.623 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.787 27.601 -30.003 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.087 26.112 -30.930 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.521 26.355 -30.119 1.00 22.51 H new ATOM 783 N GLU A 118 27.613 24.301 -29.684 1.00 13.24 N ATOM 784 CA GLU A 118 26.171 24.092 -29.620 1.00 64.41 C ATOM 785 C GLU A 118 25.843 22.610 -29.465 1.00 71.35 C ATOM 786 O GLU A 118 24.934 22.237 -28.723 1.00 2.31 O ATOM 787 CB GLU A 118 25.496 24.647 -30.876 1.00 42.20 C ATOM 788 CG GLU A 118 25.491 26.165 -30.944 1.00 62.40 C ATOM 789 CD GLU A 118 24.527 26.699 -31.985 1.00 32.23 C ATOM 790 OE1 GLU A 118 24.973 26.995 -33.113 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.324 26.820 -31.671 1.00 51.30 O1- ATOM 0 H GLU A 118 27.953 24.623 -30.590 1.00 13.24 H new ATOM 0 HA GLU A 118 25.791 24.624 -28.748 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.005 24.254 -31.756 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.468 24.287 -30.915 1.00 42.20 H new ATOM 0 HG2 GLU A 118 25.224 26.568 -29.967 1.00 62.40 H new ATOM 0 HG3 GLU A 118 26.497 26.518 -31.171 1.00 62.40 H new ATOM 798 N PHE A 119 26.588 21.769 -30.174 1.00 72.35 N ATOM 799 CA PHE A 119 26.377 20.326 -30.117 1.00 31.24 C ATOM 800 C PHE A 119 26.579 19.802 -28.699 1.00 51.21 C ATOM 801 O PHE A 119 25.968 18.812 -28.297 1.00 74.52 O ATOM 802 CB PHE A 119 27.330 19.612 -31.078 1.00 12.54 C ATOM 803 CG PHE A 119 27.516 18.155 -30.764 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.618 17.724 -30.042 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.591 17.216 -31.191 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.793 16.384 -29.751 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.760 15.876 -30.901 1.00 3.12 C ATOM 808 CZ PHE A 119 27.864 15.458 -30.182 1.00 63.33 C ATOM 0 H PHE A 119 27.343 22.061 -30.795 1.00 72.35 H new ATOM 0 HA PHE A 119 25.349 20.122 -30.417 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.950 19.711 -32.095 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.300 20.108 -31.051 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.348 18.444 -29.703 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.728 17.535 -31.757 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.656 16.062 -29.187 1.00 34.02 H new ATOM 0 HE2 PHE A 119 26.029 15.155 -31.236 1.00 3.12 H new ATOM 0 HZ PHE A 119 28.000 14.410 -29.958 1.00 63.33 H new ATOM 818 N LYS A 120 27.443 20.472 -27.944 1.00 14.44 N ATOM 819 CA LYS A 120 27.728 20.077 -26.570 1.00 23.11 C ATOM 820 C LYS A 120 26.686 20.647 -25.613 1.00 34.44 C ATOM 821 O LYS A 120 26.317 20.008 -24.628 1.00 62.52 O ATOM 822 CB LYS A 120 29.125 20.547 -26.161 1.00 32.24 C ATOM 823 CG LYS A 120 30.191 19.472 -26.287 1.00 15.35 C ATOM 824 CD LYS A 120 31.573 20.076 -26.471 1.00 0.00 C ATOM 825 CE LYS A 120 31.960 20.953 -25.291 1.00 12.11 C ATOM 826 NZ LYS A 120 32.014 20.180 -24.019 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.959 21.293 -28.261 1.00 14.44 H new ATOM 0 HA LYS A 120 27.688 18.989 -26.515 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.407 21.400 -26.778 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.094 20.896 -25.129 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.183 18.844 -25.396 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.959 18.826 -27.134 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.307 19.279 -26.589 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.594 20.667 -27.387 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.932 21.409 -25.481 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.241 21.766 -25.192 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 32.457 20.761 -23.279 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 31.049 19.924 -23.727 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 32.574 19.315 -24.162 1.00 75.10 H new ATOM 840 N LYS A 121 26.216 21.854 -25.908 1.00 31.11 N ATOM 841 CA LYS A 121 25.216 22.511 -25.076 1.00 75.21 C ATOM 842 C LYS A 121 23.838 21.890 -25.288 1.00 2.10 C ATOM 843 O LYS A 121 23.032 21.813 -24.361 1.00 52.44 O ATOM 844 CB LYS A 121 25.165 24.009 -25.390 1.00 1.02 C ATOM 845 CG LYS A 121 24.063 24.389 -26.365 1.00 1.41 C ATOM 846 CD LYS A 121 24.213 25.824 -26.842 1.00 43.52 C ATOM 847 CE LYS A 121 23.228 26.146 -27.955 1.00 20.23 C ATOM 848 NZ LYS A 121 22.982 27.609 -28.072 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.512 22.398 -26.719 1.00 31.11 H new ATOM 0 HA LYS A 121 25.501 22.374 -24.033 1.00 75.21 H new ATOM 0 HB2 LYS A 121 25.023 24.562 -24.461 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.126 24.318 -25.802 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.085 23.715 -27.222 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.092 24.263 -25.886 1.00 1.41 H new ATOM 0 HD2 LYS A 121 24.055 26.505 -26.006 1.00 43.52 H new ATOM 0 HD3 LYS A 121 25.231 25.986 -27.197 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.612 25.766 -28.901 1.00 20.23 H new ATOM 0 HE3 LYS A 121 22.285 25.633 -27.765 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 22.305 27.787 -28.842 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 22.591 27.968 -27.178 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 23.877 28.096 -28.279 1.00 31.14 H new ATOM 862 N VAL A 122 23.576 21.447 -26.514 1.00 23.10 N ATOM 863 CA VAL A 122 22.298 20.830 -26.846 1.00 13.41 C ATOM 864 C VAL A 122 22.213 19.411 -26.294 1.00 52.23 C ATOM 865 O VAL A 122 21.130 18.830 -26.211 1.00 71.34 O ATOM 866 CB VAL A 122 22.073 20.790 -28.370 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.132 22.193 -28.955 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.097 19.883 -29.036 1.00 1.45 C ATOM 0 H VAL A 122 24.232 21.504 -27.293 1.00 23.10 H new ATOM 0 HA VAL A 122 21.522 21.443 -26.387 1.00 13.41 H new ATOM 0 HB VAL A 122 21.081 20.383 -28.563 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.971 22.145 -30.032 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.358 22.810 -28.499 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.110 22.630 -28.753 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.923 19.867 -30.112 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.100 20.259 -28.836 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.002 18.873 -28.638 1.00 1.45 H new ATOM 878 N LEU A 123 23.361 18.859 -25.918 1.00 4.14 N ATOM 879 CA LEU A 123 23.417 17.508 -25.372 1.00 53.40 C ATOM 880 C LEU A 123 23.101 17.509 -23.879 1.00 25.13 C ATOM 881 O LEU A 123 22.442 16.601 -23.372 1.00 61.25 O ATOM 882 CB LEU A 123 24.798 16.896 -25.612 1.00 74.02 C ATOM 883 CG LEU A 123 24.972 16.122 -26.919 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.061 16.686 -27.998 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.424 16.159 -27.372 1.00 1.21 C ATOM 0 H LEU A 123 24.266 19.326 -25.981 1.00 4.14 H new ATOM 0 HA LEU A 123 22.666 16.906 -25.883 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.537 17.696 -25.586 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.025 16.225 -24.783 1.00 74.02 H new ATOM 0 HG LEU A 123 24.694 15.083 -26.743 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.198 16.123 -28.921 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.023 16.607 -27.676 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.308 17.733 -28.172 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.529 15.603 -28.304 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.730 17.193 -27.530 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.055 15.707 -26.607 1.00 1.21 H new ATOM 897 N LEU A 124 23.572 18.537 -23.181 1.00 54.13 N ATOM 898 CA LEU A 124 23.339 18.659 -21.747 1.00 75.34 C ATOM 899 C LEU A 124 22.080 19.473 -21.467 1.00 14.20 C ATOM 900 O LEU A 124 21.630 19.563 -20.326 1.00 71.21 O ATOM 901 CB LEU A 124 24.544 19.311 -21.068 1.00 22.35 C ATOM 902 CG LEU A 124 25.758 18.409 -20.843 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.894 19.192 -20.201 1.00 33.13 C ATOM 904 CD2 LEU A 124 25.382 17.213 -19.983 1.00 45.33 C ATOM 0 H LEU A 124 24.118 19.298 -23.586 1.00 54.13 H new ATOM 0 HA LEU A 124 23.199 17.657 -21.340 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.857 20.164 -21.670 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.224 19.703 -20.103 1.00 22.35 H new ATOM 0 HG LEU A 124 26.098 18.043 -21.812 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.749 18.534 -20.049 1.00 33.13 H new ATOM 0 HD12 LEU A 124 27.182 20.016 -20.854 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.565 19.588 -19.240 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.258 16.582 -19.834 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.016 17.560 -19.017 1.00 45.33 H new ATOM 0 HD23 LEU A 124 24.602 16.638 -20.481 1.00 45.33 H new ATOM 916 N GLU A 125 21.517 20.062 -22.518 1.00 14.41 N ATOM 917 CA GLU A 125 20.309 20.867 -22.384 1.00 41.11 C ATOM 918 C GLU A 125 19.118 20.000 -21.986 1.00 63.43 C ATOM 919 O GLU A 125 18.500 20.194 -20.940 1.00 14.15 O ATOM 920 CB GLU A 125 20.008 21.596 -23.696 1.00 64.13 C ATOM 921 CG GLU A 125 18.527 21.838 -23.931 1.00 62.33 C ATOM 922 CD GLU A 125 18.269 22.844 -25.038 1.00 4.53 C ATOM 923 OE1 GLU A 125 17.882 22.420 -26.146 1.00 43.43 O ATOM 924 OE2 GLU A 125 18.453 24.054 -24.793 1.00 3.44 O1- ATOM 0 H GLU A 125 21.878 19.997 -23.470 1.00 14.41 H new ATOM 0 HA GLU A 125 20.479 21.603 -21.598 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.529 22.553 -23.698 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.409 21.014 -24.526 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.044 20.894 -24.183 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.070 22.194 -23.008 1.00 62.33 H new ATOM 931 N PRO A 126 18.788 19.022 -22.842 1.00 30.12 N ATOM 932 CA PRO A 126 17.669 18.106 -22.602 1.00 22.40 C ATOM 933 C PRO A 126 17.945 17.141 -21.453 1.00 25.33 C ATOM 934 O PRO A 126 19.097 16.903 -21.094 1.00 41.31 O ATOM 935 CB PRO A 126 17.547 17.342 -23.923 1.00 61.24 C ATOM 936 CG PRO A 126 18.907 17.408 -24.527 1.00 12.33 C ATOM 937 CD PRO A 126 19.481 18.734 -24.109 1.00 0.12 C ATOM 0 HA PRO A 126 16.762 18.638 -22.315 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.238 16.310 -23.756 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.802 17.797 -24.576 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.530 16.585 -24.177 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.856 17.330 -25.613 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.561 18.679 -23.973 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.293 19.506 -24.855 1.00 0.12 H new ATOM 945 N GLY A 127 16.880 16.589 -20.881 1.00 43.42 N ATOM 946 CA GLY A 127 17.029 15.658 -19.778 1.00 51.41 C ATOM 947 C GLY A 127 17.142 14.220 -20.246 1.00 23.25 C ATOM 948 O GLY A 127 17.581 13.349 -19.495 1.00 21.10 O ATOM 0 H GLY A 127 15.916 16.770 -21.162 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.916 15.920 -19.202 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.174 15.753 -19.108 1.00 51.41 H new ATOM 952 N SER A 128 16.743 13.971 -21.489 1.00 64.24 N ATOM 953 CA SER A 128 16.797 12.627 -22.054 1.00 14.15 C ATOM 954 C SER A 128 18.180 12.332 -22.623 1.00 43.42 C ATOM 955 O SER A 128 18.313 11.881 -23.762 1.00 75.43 O ATOM 956 CB SER A 128 15.737 12.468 -23.147 1.00 12.14 C ATOM 957 OG SER A 128 14.537 13.134 -22.793 1.00 41.51 O ATOM 0 H SER A 128 16.379 14.681 -22.124 1.00 64.24 H new ATOM 0 HA SER A 128 16.594 11.915 -21.255 1.00 14.15 H new ATOM 0 HB2 SER A 128 16.116 12.869 -24.087 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.535 11.410 -23.311 1.00 12.14 H new ATOM 0 HG SER A 128 13.876 13.019 -23.508 1.00 41.51 H new ATOM 963 N LYS A 129 19.209 12.590 -21.824 1.00 13.44 N ATOM 964 CA LYS A 129 20.585 12.352 -22.246 1.00 70.44 C ATOM 965 C LYS A 129 20.763 10.920 -22.742 1.00 11.20 C ATOM 966 O LYS A 129 21.703 10.619 -23.475 1.00 23.24 O ATOM 967 CB LYS A 129 21.549 12.626 -21.090 1.00 55.21 C ATOM 968 CG LYS A 129 21.424 14.025 -20.511 1.00 13.43 C ATOM 969 CD LYS A 129 22.029 14.109 -19.120 1.00 2.32 C ATOM 970 CE LYS A 129 21.008 13.765 -18.046 1.00 34.02 C ATOM 971 NZ LYS A 129 21.656 13.473 -16.738 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.117 12.964 -20.880 1.00 13.44 H new ATOM 0 HA LYS A 129 20.809 13.032 -23.067 1.00 70.44 H new ATOM 0 HB2 LYS A 129 21.371 11.897 -20.299 1.00 55.21 H new ATOM 0 HB3 LYS A 129 22.571 12.476 -21.437 1.00 55.21 H new ATOM 0 HG2 LYS A 129 21.922 14.738 -21.169 1.00 13.43 H new ATOM 0 HG3 LYS A 129 20.373 14.310 -20.469 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.877 13.428 -19.049 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.413 15.115 -18.949 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.311 14.595 -17.929 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.424 12.901 -18.363 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.927 13.243 -16.033 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 22.302 12.665 -16.843 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.192 14.306 -16.422 1.00 60.14 H new ATOM 985 N ASN A 130 19.851 10.042 -22.337 1.00 50.25 N ATOM 986 CA ASN A 130 19.906 8.641 -22.741 1.00 20.54 C ATOM 987 C ASN A 130 19.231 8.439 -24.094 1.00 24.34 C ATOM 988 O ASN A 130 18.787 7.336 -24.420 1.00 52.01 O ATOM 989 CB ASN A 130 19.236 7.758 -21.687 1.00 13.43 C ATOM 990 CG ASN A 130 17.770 8.097 -21.494 1.00 62.11 C ATOM 991 OD1 ASN A 130 17.427 9.207 -21.087 1.00 43.45 O ATOM 992 ND2 ASN A 130 16.898 7.140 -21.788 1.00 30.42 N ATOM 0 H ASN A 130 19.065 10.275 -21.730 1.00 50.25 H new ATOM 0 HA ASN A 130 20.954 8.355 -22.831 1.00 20.54 H new ATOM 0 HB2 ASN A 130 19.328 6.713 -21.981 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.760 7.870 -20.738 1.00 13.43 H new ATOM 0 HD21 ASN A 130 15.898 7.310 -21.679 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.228 6.235 -22.122 1.00 30.42 H new ATOM 999 N LEU A 131 19.157 9.508 -24.879 1.00 22.31 N ATOM 1000 CA LEU A 131 18.537 9.448 -26.197 1.00 15.12 C ATOM 1001 C LEU A 131 19.529 8.949 -27.244 1.00 65.34 C ATOM 1002 O LEU A 131 20.736 8.916 -27.003 1.00 42.41 O ATOM 1003 CB LEU A 131 18.008 10.827 -26.597 1.00 11.43 C ATOM 1004 CG LEU A 131 19.028 11.965 -26.592 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.747 12.043 -27.930 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.349 13.289 -26.272 1.00 50.13 C ATOM 0 H LEU A 131 19.519 10.427 -24.625 1.00 22.31 H new ATOM 0 HA LEU A 131 17.705 8.746 -26.148 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.580 10.754 -27.597 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.195 11.092 -25.921 1.00 11.43 H new ATOM 0 HG LEU A 131 19.767 11.762 -25.817 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.469 12.859 -27.908 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.266 11.104 -28.119 1.00 2.43 H new ATOM 0 HD13 LEU A 131 19.021 12.222 -28.723 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.091 14.088 -26.273 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.589 13.499 -27.024 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.881 13.230 -25.289 1.00 50.13 H new ATOM 1018 N SER A 132 19.012 8.563 -28.406 1.00 12.44 N ATOM 1019 CA SER A 132 19.853 8.065 -29.488 1.00 34.35 C ATOM 1020 C SER A 132 20.755 9.169 -30.028 1.00 0.35 C ATOM 1021 O SER A 132 20.338 10.321 -30.156 1.00 24.34 O ATOM 1022 CB SER A 132 18.986 7.502 -30.617 1.00 71.11 C ATOM 1023 OG SER A 132 18.127 6.481 -30.139 1.00 74.41 O ATOM 0 H SER A 132 18.015 8.586 -28.622 1.00 12.44 H new ATOM 0 HA SER A 132 20.482 7.269 -29.089 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.393 8.303 -31.059 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.624 7.105 -31.406 1.00 71.11 H new ATOM 0 HG SER A 132 17.582 6.139 -30.878 1.00 74.41 H new ATOM 1029 N ILE A 133 21.996 8.810 -30.343 1.00 2.43 N ATOM 1030 CA ILE A 133 22.958 9.770 -30.869 1.00 72.04 C ATOM 1031 C ILE A 133 22.412 10.473 -32.107 1.00 24.01 C ATOM 1032 O ILE A 133 22.697 11.647 -32.344 1.00 53.43 O ATOM 1033 CB ILE A 133 24.294 9.090 -31.224 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.301 10.128 -31.726 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.074 8.008 -32.270 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.651 10.034 -31.051 1.00 63.31 C ATOM 0 H ILE A 133 22.358 7.862 -30.243 1.00 2.43 H new ATOM 0 HA ILE A 133 23.132 10.506 -30.084 1.00 72.04 H new ATOM 0 HB ILE A 133 24.699 8.623 -30.326 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.432 10.005 -32.801 1.00 14.41 H new ATOM 0 HG13 ILE A 133 24.892 11.126 -31.566 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.026 7.536 -32.511 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.386 7.258 -31.879 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.651 8.453 -33.171 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.314 10.799 -31.455 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.533 10.187 -29.978 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.081 9.049 -31.232 1.00 63.31 H new ATOM 1048 N TYR A 134 21.625 9.747 -32.893 1.00 51.34 N ATOM 1049 CA TYR A 134 21.040 10.300 -34.109 1.00 14.53 C ATOM 1050 C TYR A 134 20.331 11.620 -33.820 1.00 72.13 C ATOM 1051 O TYR A 134 20.349 12.538 -34.640 1.00 64.14 O ATOM 1052 CB TYR A 134 20.055 9.304 -34.725 1.00 10.23 C ATOM 1053 CG TYR A 134 19.533 9.728 -36.079 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.215 9.394 -37.243 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.359 10.461 -36.195 1.00 14.43 C ATOM 1056 CE1 TYR A 134 19.743 9.779 -38.482 1.00 43.31 C ATOM 1057 CE2 TYR A 134 17.879 10.850 -37.431 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.574 10.506 -38.572 1.00 2.11 C ATOM 1059 OH TYR A 134 18.099 10.891 -39.805 1.00 3.43 O ATOM 0 H TYR A 134 21.377 8.775 -32.710 1.00 51.34 H new ATOM 0 HA TYR A 134 21.847 10.488 -34.817 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.544 8.334 -34.821 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.213 9.171 -34.046 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.130 8.824 -37.177 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.812 10.732 -35.304 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.286 9.512 -39.376 1.00 43.31 H new ATOM 0 HE2 TYR A 134 16.965 11.420 -37.503 1.00 22.22 H new ATOM 0 HH TYR A 134 17.266 11.395 -39.692 1.00 3.43 H new ATOM 1069 N GLN A 135 19.709 11.707 -32.649 1.00 15.24 N ATOM 1070 CA GLN A 135 18.994 12.914 -32.251 1.00 3.44 C ATOM 1071 C GLN A 135 19.969 14.010 -31.832 1.00 63.55 C ATOM 1072 O GLN A 135 19.769 15.185 -32.143 1.00 15.31 O ATOM 1073 CB GLN A 135 18.031 12.607 -31.104 1.00 23.05 C ATOM 1074 CG GLN A 135 17.345 11.256 -31.231 1.00 5.20 C ATOM 1075 CD GLN A 135 16.790 11.011 -32.619 1.00 34.34 C ATOM 1076 OE1 GLN A 135 17.024 9.816 -33.149 1.00 23.14 O flip ATOM 1077 NE2 GLN A 135 16.157 11.887 -33.211 1.00 23.23 N flip ATOM 0 H GLN A 135 19.686 10.956 -31.959 1.00 15.24 H new ATOM 0 HA GLN A 135 18.424 13.268 -33.110 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.579 12.640 -30.162 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.272 13.388 -31.059 1.00 23.05 H new ATOM 0 HG2 GLN A 135 18.056 10.467 -30.984 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.535 11.194 -30.504 1.00 5.20 H new ATOM 0 HE21 GLN A 135 16.000 12.792 -32.766 1.00 23.23 H new ATOM 0 HE22 GLN A 135 15.790 11.708 -34.146 1.00 23.23 H new ATOM 1086 N THR A 136 21.024 13.618 -31.125 1.00 4.35 N ATOM 1087 CA THR A 136 22.029 14.568 -30.662 1.00 41.33 C ATOM 1088 C THR A 136 22.597 15.375 -31.822 1.00 13.53 C ATOM 1089 O THR A 136 22.637 16.606 -31.776 1.00 52.25 O ATOM 1090 CB THR A 136 23.183 13.854 -29.933 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.998 13.152 -30.878 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.647 12.879 -28.895 1.00 12.34 C ATOM 0 H THR A 136 21.205 12.650 -30.860 1.00 4.35 H new ATOM 0 HA THR A 136 21.531 15.241 -29.965 1.00 41.33 H new ATOM 0 HB THR A 136 23.784 14.608 -29.424 1.00 42.43 H new ATOM 0 HG1 THR A 136 23.449 12.502 -31.365 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.480 12.387 -28.393 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.050 13.421 -28.161 1.00 12.34 H new ATOM 0 HG23 THR A 136 22.026 12.130 -29.386 1.00 12.34 H new ATOM 1100 N LEU A 137 23.038 14.677 -32.863 1.00 40.20 N ATOM 1101 CA LEU A 137 23.606 15.329 -34.038 1.00 24.30 C ATOM 1102 C LEU A 137 22.519 16.023 -34.854 1.00 25.13 C ATOM 1103 O LEU A 137 22.647 17.195 -35.209 1.00 73.04 O ATOM 1104 CB LEU A 137 24.340 14.308 -34.908 1.00 71.51 C ATOM 1105 CG LEU A 137 25.478 13.545 -34.232 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.021 12.466 -35.157 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.587 14.499 -33.814 1.00 41.53 C ATOM 0 H LEU A 137 23.013 13.659 -32.917 1.00 40.20 H new ATOM 0 HA LEU A 137 24.316 16.083 -33.697 1.00 24.30 H new ATOM 0 HB2 LEU A 137 23.613 13.584 -35.276 1.00 71.51 H new ATOM 0 HB3 LEU A 137 24.743 14.825 -35.779 1.00 71.51 H new ATOM 0 HG LEU A 137 25.085 13.063 -33.337 1.00 14.44 H new ATOM 0 HD11 LEU A 137 26.831 11.933 -34.659 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.224 11.765 -35.405 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.398 12.926 -36.071 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.389 13.937 -33.334 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.978 15.010 -34.694 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.190 15.234 -33.114 1.00 41.53 H new ATOM 1119 N LEU A 138 21.449 15.291 -35.146 1.00 10.14 N ATOM 1120 CA LEU A 138 20.338 15.836 -35.918 1.00 31.24 C ATOM 1121 C LEU A 138 19.845 17.147 -35.313 1.00 11.02 C ATOM 1122 O LEU A 138 19.597 18.117 -36.028 1.00 71.33 O ATOM 1123 CB LEU A 138 19.190 14.827 -35.979 1.00 41.12 C ATOM 1124 CG LEU A 138 17.929 15.287 -36.710 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.281 14.124 -37.444 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.947 15.919 -35.734 1.00 22.45 C ATOM 0 H LEU A 138 21.328 14.319 -34.860 1.00 10.14 H new ATOM 0 HA LEU A 138 20.694 16.035 -36.929 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.555 13.921 -36.462 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.916 14.557 -34.959 1.00 41.12 H new ATOM 0 HG LEU A 138 18.214 16.039 -37.446 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.385 14.472 -37.958 1.00 14.12 H new ATOM 0 HD12 LEU A 138 17.982 13.717 -38.173 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.010 13.348 -36.728 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.055 16.241 -36.272 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.669 15.189 -34.974 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.413 16.781 -35.256 1.00 22.45 H new ATOM 1138 N ALA A 139 19.707 17.168 -33.991 1.00 11.23 N ATOM 1139 CA ALA A 139 19.249 18.360 -33.289 1.00 25.20 C ATOM 1140 C ALA A 139 20.290 19.473 -33.360 1.00 1.41 C ATOM 1141 O ALA A 139 19.999 20.580 -33.813 1.00 21.21 O ATOM 1142 CB ALA A 139 18.925 18.028 -31.841 1.00 44.04 C ATOM 0 H ALA A 139 19.906 16.372 -33.385 1.00 11.23 H new ATOM 0 HA ALA A 139 18.343 18.715 -33.780 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.584 18.928 -31.329 1.00 44.04 H new ATOM 0 HB2 ALA A 139 18.140 17.272 -31.808 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.818 17.646 -31.347 1.00 44.04 H new ATOM 1148 N ALA A 140 21.502 19.171 -32.909 1.00 70.34 N ATOM 1149 CA ALA A 140 22.586 20.146 -32.921 1.00 73.32 C ATOM 1150 C ALA A 140 22.755 20.760 -34.307 1.00 31.53 C ATOM 1151 O ALA A 140 22.986 21.962 -34.439 1.00 61.43 O ATOM 1152 CB ALA A 140 23.886 19.496 -32.468 1.00 20.30 C ATOM 0 H ALA A 140 21.759 18.259 -32.531 1.00 70.34 H new ATOM 0 HA ALA A 140 22.331 20.946 -32.226 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.687 20.235 -32.482 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.766 19.110 -31.456 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.137 18.677 -33.142 1.00 20.30 H new ATOM 1158 N HIS A 141 22.641 19.927 -35.336 1.00 1.44 N ATOM 1159 CA HIS A 141 22.781 20.390 -36.712 1.00 35.23 C ATOM 1160 C HIS A 141 21.640 21.332 -37.089 1.00 23.11 C ATOM 1161 O HIS A 141 21.862 22.511 -37.361 1.00 71.12 O ATOM 1162 CB HIS A 141 22.813 19.199 -37.672 1.00 54.14 C ATOM 1163 CG HIS A 141 22.870 19.596 -39.115 1.00 62.40 C ATOM 1164 ND1 HIS A 141 21.791 19.495 -39.967 1.00 11.41 N ATOM 1165 CD2 HIS A 141 23.887 20.097 -39.856 1.00 55.51 C ATOM 1166 CE1 HIS A 141 22.141 19.914 -41.170 1.00 43.34 C ATOM 1167 NE2 HIS A 141 23.408 20.286 -41.129 1.00 1.53 N ATOM 0 H HIS A 141 22.452 18.929 -35.244 1.00 1.44 H new ATOM 0 HA HIS A 141 23.720 20.937 -36.791 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.678 18.578 -37.440 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.927 18.586 -37.507 1.00 54.14 H new ATOM 0 HD2 HIS A 141 24.888 20.308 -39.510 1.00 55.51 H new ATOM 0 HE1 HIS A 141 21.500 19.947 -42.039 1.00 43.34 H new ATOM 0 HE2 HIS A 141 23.944 20.654 -41.915 1.00 1.53 H new ATOM 1176 N GLU A 142 20.422 20.801 -37.102 1.00 21.22 N ATOM 1177 CA GLU A 142 19.248 21.595 -37.446 1.00 60.01 C ATOM 1178 C GLU A 142 19.175 22.857 -36.592 1.00 12.12 C ATOM 1179 O GLU A 142 18.656 23.884 -37.028 1.00 65.25 O ATOM 1180 CB GLU A 142 17.974 20.767 -37.263 1.00 0.33 C ATOM 1181 CG GLU A 142 17.891 19.564 -38.188 1.00 13.53 C ATOM 1182 CD GLU A 142 16.581 19.500 -38.947 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.522 19.716 -38.321 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.613 19.236 -40.167 1.00 0.23 O1- ATOM 0 H GLU A 142 20.222 19.826 -36.879 1.00 21.22 H new ATOM 0 HA GLU A 142 19.334 21.890 -38.492 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.919 20.425 -36.230 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.108 21.406 -37.434 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.717 19.599 -38.899 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.013 18.652 -37.603 1.00 13.53 H new ATOM 1191 N ARG A 143 19.698 22.771 -35.373 1.00 11.21 N ATOM 1192 CA ARG A 143 19.690 23.905 -34.457 1.00 60.32 C ATOM 1193 C ARG A 143 20.777 24.910 -34.826 1.00 61.53 C ATOM 1194 O ARG A 143 20.621 26.114 -34.618 1.00 4.22 O ATOM 1195 CB ARG A 143 19.892 23.426 -33.018 1.00 31.13 C ATOM 1196 CG ARG A 143 18.622 22.899 -32.368 1.00 61.33 C ATOM 1197 CD ARG A 143 18.739 22.884 -30.852 1.00 34.34 C ATOM 1198 NE ARG A 143 18.492 21.555 -30.297 1.00 43.43 N ATOM 1199 CZ ARG A 143 17.278 21.052 -30.109 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.204 21.763 -30.428 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 17.134 19.836 -29.600 1.00 72.21 N ATOM 0 H ARG A 143 20.132 21.928 -34.997 1.00 11.21 H new ATOM 0 HA ARG A 143 18.721 24.398 -34.537 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.648 22.641 -33.008 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.281 24.251 -32.421 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.776 23.520 -32.663 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.418 21.891 -32.729 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.735 23.219 -30.562 1.00 34.34 H new ATOM 0 HD3 ARG A 143 18.028 23.592 -30.426 1.00 34.34 H new ATOM 0 HE ARG A 143 19.296 20.983 -30.040 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.310 22.699 -30.819 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.273 21.373 -30.282 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.957 19.286 -29.352 1.00 72.21 H new ATOM 0 HH22 ARG A 143 16.201 19.451 -29.456 1.00 72.21 H new ATOM 1215 N LEU A 144 21.877 24.408 -35.378 1.00 51.52 N ATOM 1216 CA LEU A 144 22.990 25.262 -35.776 1.00 34.24 C ATOM 1217 C LEU A 144 22.511 26.399 -36.673 1.00 61.12 C ATOM 1218 O LEU A 144 23.029 27.513 -36.607 1.00 51.43 O ATOM 1219 CB LEU A 144 24.054 24.439 -36.504 1.00 61.43 C ATOM 1220 CG LEU A 144 25.277 25.211 -37.002 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.138 25.658 -35.832 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.087 24.361 -37.969 1.00 54.33 C ATOM 0 H LEU A 144 22.021 23.415 -35.560 1.00 51.52 H new ATOM 0 HA LEU A 144 23.425 25.693 -34.874 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.396 23.650 -35.834 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.585 23.951 -37.358 1.00 61.43 H new ATOM 0 HG LEU A 144 24.932 26.099 -37.532 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.003 26.206 -36.205 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.554 26.305 -35.177 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.475 24.785 -35.273 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.953 24.926 -38.313 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.422 23.455 -37.464 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.467 24.092 -38.824 1.00 54.33 H new ATOM 1234 N GLN A 145 21.516 26.111 -37.506 1.00 51.00 N ATOM 1235 CA GLN A 145 20.966 27.110 -38.413 1.00 12.25 C ATOM 1236 C GLN A 145 19.712 27.749 -37.824 1.00 12.51 C ATOM 1237 O GLN A 145 19.624 28.971 -37.707 1.00 14.40 O ATOM 1238 CB GLN A 145 20.641 26.477 -39.767 1.00 54.30 C ATOM 1239 CG GLN A 145 21.742 25.571 -40.295 1.00 44.02 C ATOM 1240 CD GLN A 145 21.663 24.166 -39.731 1.00 45.43 C ATOM 1241 OE1 GLN A 145 20.607 23.725 -39.277 1.00 3.44 O ATOM 1242 NE2 GLN A 145 22.784 23.454 -39.755 1.00 40.43 N ATOM 0 H GLN A 145 21.075 25.194 -37.571 1.00 51.00 H new ATOM 0 HA GLN A 145 21.717 27.888 -38.554 1.00 12.25 H new ATOM 0 HB2 GLN A 145 19.720 25.901 -39.678 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.454 27.268 -40.493 1.00 54.30 H new ATOM 0 HG2 GLN A 145 21.680 25.526 -41.382 1.00 44.02 H new ATOM 0 HG3 GLN A 145 22.712 26.003 -40.049 1.00 44.02 H new ATOM 0 HE21 GLN A 145 23.637 23.859 -40.141 1.00 40.43 H new ATOM 0 HE22 GLN A 145 22.792 22.502 -39.388 1.00 40.43 H new ATOM 1251 N ALA A 146 18.746 26.915 -37.455 1.00 25.41 N ATOM 1252 CA ALA A 146 17.499 27.398 -36.877 1.00 61.13 C ATOM 1253 C ALA A 146 16.891 28.506 -37.731 1.00 43.10 C ATOM 1254 O ALA A 146 16.221 29.403 -37.217 1.00 53.12 O ATOM 1255 CB ALA A 146 17.732 27.892 -35.457 1.00 73.03 C ATOM 0 H ALA A 146 18.803 25.901 -37.546 1.00 25.41 H new ATOM 0 HA ALA A 146 16.794 26.567 -36.850 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.792 28.250 -35.037 1.00 73.03 H new ATOM 0 HB2 ALA A 146 18.114 27.075 -34.846 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.457 28.706 -35.469 1.00 73.03 H new ATOM 1261 N LEU A 147 17.127 28.438 -39.036 1.00 64.13 N ATOM 1262 CA LEU A 147 16.604 29.435 -39.962 1.00 53.53 C ATOM 1263 C LEU A 147 15.081 29.375 -40.023 1.00 25.45 C ATOM 1264 O LEU A 147 14.419 30.080 -39.262 1.00 52.04 O ATOM 1265 CB LEU A 147 17.190 29.223 -41.358 1.00 12.24 C ATOM 1266 CG LEU A 147 18.511 29.937 -41.648 1.00 10.30 C ATOM 1267 CD1 LEU A 147 19.298 29.193 -42.715 1.00 75.04 C ATOM 1268 CD2 LEU A 147 18.256 31.375 -42.076 1.00 34.23 C ATOM 0 H LEU A 147 17.678 27.702 -39.477 1.00 64.13 H new ATOM 0 HA LEU A 147 16.897 30.420 -39.599 1.00 53.53 H new ATOM 0 HB2 LEU A 147 17.337 28.154 -41.510 1.00 12.24 H new ATOM 0 HB3 LEU A 147 16.454 29.551 -42.092 1.00 12.24 H new ATOM 0 HG LEU A 147 19.103 29.950 -40.733 1.00 10.30 H new ATOM 0 HD11 LEU A 147 20.235 29.716 -42.908 1.00 75.04 H new ATOM 0 HD12 LEU A 147 19.512 28.181 -42.370 1.00 75.04 H new ATOM 0 HD13 LEU A 147 18.713 29.147 -43.633 1.00 75.04 H new ATOM 0 HD21 LEU A 147 19.207 31.868 -42.278 1.00 34.23 H new ATOM 0 HD22 LEU A 147 17.644 31.383 -42.978 1.00 34.23 H new ATOM 0 HD23 LEU A 147 17.735 31.905 -41.279 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 53.555 18.492 18.573 1.00 21.13 N ATOM 1282 CA HIS B 518 52.323 18.508 17.791 1.00 35.22 C ATOM 1283 C HIS B 518 52.595 18.955 16.358 1.00 35.13 C ATOM 1284 O HIS B 518 52.521 20.142 16.042 1.00 13.03 O ATOM 1285 CB HIS B 518 51.295 19.436 18.440 1.00 50.40 C ATOM 1286 CG HIS B 518 50.629 18.843 19.643 1.00 11.31 C ATOM 1287 ND1 HIS B 518 50.727 19.393 20.904 1.00 51.44 N ATOM 1288 CD2 HIS B 518 49.852 17.743 19.774 1.00 52.22 C ATOM 1289 CE1 HIS B 518 50.039 18.655 21.757 1.00 51.12 C ATOM 1290 NE2 HIS B 518 49.498 17.648 21.097 1.00 12.11 N ATOM 0 HA HIS B 518 51.923 17.494 17.767 1.00 35.22 H new ATOM 0 HB2 HIS B 518 51.787 20.365 18.728 1.00 50.40 H new ATOM 0 HB3 HIS B 518 50.534 19.694 17.703 1.00 50.40 H new ATOM 0 HD2 HIS B 518 49.564 17.065 18.984 1.00 52.22 H new ATOM 0 HE1 HIS B 518 49.937 18.844 22.815 1.00 51.12 H new ATOM 0 HE2 HIS B 518 48.913 16.918 21.504 1.00 12.11 H new ATOM 1299 N MET B 519 52.912 17.995 15.495 1.00 20.22 N ATOM 1300 CA MET B 519 53.195 18.290 14.094 1.00 45.23 C ATOM 1301 C MET B 519 52.265 17.505 13.175 1.00 50.30 C ATOM 1302 O MET B 519 51.379 16.787 13.639 1.00 40.52 O ATOM 1303 CB MET B 519 54.653 17.960 13.766 1.00 3.13 C ATOM 1304 CG MET B 519 55.655 18.757 14.585 1.00 31.34 C ATOM 1305 SD MET B 519 57.321 18.691 13.899 1.00 5.43 S ATOM 1306 CE MET B 519 57.557 16.922 13.750 1.00 34.34 C ATOM 0 H MET B 519 52.979 17.007 15.740 1.00 20.22 H new ATOM 0 HA MET B 519 53.025 19.354 13.931 1.00 45.23 H new ATOM 0 HB2 MET B 519 54.823 16.896 13.934 1.00 3.13 H new ATOM 0 HB3 MET B 519 54.830 18.148 12.707 1.00 3.13 H new ATOM 0 HG2 MET B 519 55.330 19.796 14.639 1.00 31.34 H new ATOM 0 HG3 MET B 519 55.671 18.374 15.605 1.00 31.34 H new ATOM 0 HE1 MET B 519 58.615 16.708 13.597 1.00 34.34 H new ATOM 0 HE2 MET B 519 57.215 16.431 14.661 1.00 34.34 H new ATOM 0 HE3 MET B 519 56.985 16.549 12.901 1.00 34.34 H new ATOM 1316 N ASP B 520 52.471 17.648 11.871 1.00 74.23 N ATOM 1317 CA ASP B 520 51.651 16.952 10.886 1.00 31.44 C ATOM 1318 C ASP B 520 51.633 15.450 11.157 1.00 44.32 C ATOM 1319 O ASP B 520 52.498 14.909 11.846 1.00 1.42 O ATOM 1320 CB ASP B 520 52.173 17.221 9.474 1.00 25.13 C ATOM 1321 CG ASP B 520 51.562 18.465 8.858 1.00 32.35 C ATOM 1322 OD1 ASP B 520 50.323 18.605 8.911 1.00 72.23 O ATOM 1323 OD2 ASP B 520 52.325 19.297 8.324 1.00 3.02 O1- ATOM 0 H ASP B 520 53.199 18.240 11.471 1.00 74.23 H new ATOM 0 HA ASP B 520 50.632 17.330 10.966 1.00 31.44 H new ATOM 0 HB2 ASP B 520 53.257 17.329 9.505 1.00 25.13 H new ATOM 0 HB3 ASP B 520 51.957 16.361 8.840 1.00 25.13 H new ATOM 1328 N PRO B 521 50.622 14.761 10.606 1.00 54.32 N ATOM 1329 CA PRO B 521 50.467 13.314 10.775 1.00 73.43 C ATOM 1330 C PRO B 521 51.541 12.524 10.033 1.00 14.40 C ATOM 1331 O PRO B 521 52.163 11.623 10.597 1.00 3.11 O ATOM 1332 CB PRO B 521 49.087 13.032 10.175 1.00 34.25 C ATOM 1333 CG PRO B 521 48.867 14.135 9.198 1.00 74.43 C ATOM 1334 CD PRO B 521 49.556 15.343 9.773 1.00 2.40 C ATOM 0 HA PRO B 521 50.563 13.014 11.818 1.00 73.43 H new ATOM 0 HB2 PRO B 521 49.059 12.058 9.686 1.00 34.25 H new ATOM 0 HB3 PRO B 521 48.315 13.024 10.944 1.00 34.25 H new ATOM 0 HG2 PRO B 521 49.279 13.879 8.222 1.00 74.43 H new ATOM 0 HG3 PRO B 521 47.803 14.324 9.056 1.00 74.43 H new ATOM 0 HD2 PRO B 521 49.962 15.985 8.991 1.00 2.40 H new ATOM 0 HD3 PRO B 521 48.872 15.953 10.363 1.00 2.40 H new ATOM 1342 N LEU B 522 51.754 12.868 8.768 1.00 1.11 N ATOM 1343 CA LEU B 522 52.753 12.192 7.948 1.00 75.22 C ATOM 1344 C LEU B 522 52.913 12.888 6.600 1.00 30.33 C ATOM 1345 O LEU B 522 52.404 13.989 6.393 1.00 4.43 O ATOM 1346 CB LEU B 522 52.361 10.728 7.736 1.00 22.31 C ATOM 1347 CG LEU B 522 51.121 10.483 6.878 1.00 23.42 C ATOM 1348 CD1 LEU B 522 51.488 9.722 5.613 1.00 31.54 C ATOM 1349 CD2 LEU B 522 50.065 9.725 7.671 1.00 64.43 C ATOM 0 H LEU B 522 51.248 13.612 8.287 1.00 1.11 H new ATOM 0 HA LEU B 522 53.707 12.234 8.473 1.00 75.22 H new ATOM 0 HB2 LEU B 522 53.203 10.210 7.278 1.00 22.31 H new ATOM 0 HB3 LEU B 522 52.199 10.271 8.712 1.00 22.31 H new ATOM 0 HG LEU B 522 50.707 11.449 6.589 1.00 23.42 H new ATOM 0 HD11 LEU B 522 50.592 9.557 5.015 1.00 31.54 H new ATOM 0 HD12 LEU B 522 52.208 10.302 5.036 1.00 31.54 H new ATOM 0 HD13 LEU B 522 51.927 8.761 5.881 1.00 31.54 H new ATOM 0 HD21 LEU B 522 49.189 9.559 7.044 1.00 64.43 H new ATOM 0 HD22 LEU B 522 50.470 8.765 7.990 1.00 64.43 H new ATOM 0 HD23 LEU B 522 49.780 10.308 8.547 1.00 64.43 H new ATOM 1361 N THR B 523 53.625 12.236 5.686 1.00 53.05 N ATOM 1362 CA THR B 523 53.852 12.791 4.357 1.00 40.25 C ATOM 1363 C THR B 523 52.983 12.096 3.315 1.00 12.10 C ATOM 1364 O THR B 523 53.315 11.023 2.811 1.00 20.21 O ATOM 1365 CB THR B 523 55.330 12.667 3.942 1.00 32.04 C ATOM 1366 OG1 THR B 523 55.855 11.405 4.370 1.00 63.35 O ATOM 1367 CG2 THR B 523 56.157 13.795 4.541 1.00 73.11 C ATOM 0 H THR B 523 54.054 11.324 5.842 1.00 53.05 H new ATOM 0 HA THR B 523 53.583 13.846 4.405 1.00 40.25 H new ATOM 0 HB THR B 523 55.386 12.734 2.855 1.00 32.04 H new ATOM 0 HG1 THR B 523 55.259 10.686 4.075 1.00 63.35 H new ATOM 0 HG21 THR B 523 57.197 13.686 4.234 1.00 73.11 H new ATOM 0 HG22 THR B 523 55.773 14.753 4.190 1.00 73.11 H new ATOM 0 HG23 THR B 523 56.094 13.755 5.628 1.00 73.11 H new ATOM 1375 N PRO B 524 51.843 12.720 2.983 1.00 61.23 N ATOM 1376 CA PRO B 524 50.904 12.180 1.995 1.00 21.31 C ATOM 1377 C PRO B 524 51.461 12.229 0.576 1.00 11.10 C ATOM 1378 O PRO B 524 51.952 13.265 0.129 1.00 65.14 O ATOM 1379 CB PRO B 524 49.686 13.097 2.125 1.00 71.15 C ATOM 1380 CG PRO B 524 50.232 14.378 2.654 1.00 14.31 C ATOM 1381 CD PRO B 524 51.384 14.002 3.544 1.00 21.34 C ATOM 0 HA PRO B 524 50.683 11.128 2.175 1.00 21.31 H new ATOM 0 HB2 PRO B 524 49.196 13.243 1.163 1.00 71.15 H new ATOM 0 HB3 PRO B 524 48.942 12.674 2.801 1.00 71.15 H new ATOM 0 HG2 PRO B 524 50.562 15.026 1.842 1.00 14.31 H new ATOM 0 HG3 PRO B 524 49.472 14.926 3.211 1.00 14.31 H new ATOM 0 HD2 PRO B 524 52.171 14.755 3.522 1.00 21.34 H new ATOM 0 HD3 PRO B 524 51.072 13.897 4.583 1.00 21.34 H new ATOM 1389 N ASP B 525 51.380 11.105 -0.125 1.00 31.30 N ATOM 1390 CA ASP B 525 51.875 11.022 -1.495 1.00 51.41 C ATOM 1391 C ASP B 525 50.907 10.237 -2.376 1.00 61.44 C ATOM 1392 O ASP B 525 49.872 9.761 -1.907 1.00 70.22 O ATOM 1393 CB ASP B 525 53.254 10.364 -1.522 1.00 53.22 C ATOM 1394 CG ASP B 525 54.149 10.850 -0.399 1.00 74.23 C ATOM 1395 OD1 ASP B 525 54.539 12.036 -0.421 1.00 15.03 O ATOM 1396 OD2 ASP B 525 54.459 10.044 0.503 1.00 4.21 O1- ATOM 0 H ASP B 525 50.977 10.239 0.231 1.00 31.30 H new ATOM 0 HA ASP B 525 51.956 12.036 -1.888 1.00 51.41 H new ATOM 0 HB2 ASP B 525 53.139 9.283 -1.449 1.00 53.22 H new ATOM 0 HB3 ASP B 525 53.733 10.570 -2.479 1.00 53.22 H new ATOM 1401 N ALA B 526 51.249 10.107 -3.653 1.00 64.40 N ATOM 1402 CA ALA B 526 50.411 9.380 -4.599 1.00 74.21 C ATOM 1403 C ALA B 526 51.109 9.226 -5.945 1.00 60.43 C ATOM 1404 O ALA B 526 52.173 9.802 -6.173 1.00 3.51 O ATOM 1405 CB ALA B 526 49.075 10.087 -4.771 1.00 22.02 C ATOM 0 H ALA B 526 52.101 10.496 -4.057 1.00 64.40 H new ATOM 0 HA ALA B 526 50.232 8.383 -4.197 1.00 74.21 H new ATOM 0 HB1 ALA B 526 48.459 9.534 -5.480 1.00 22.02 H new ATOM 0 HB2 ALA B 526 48.564 10.139 -3.809 1.00 22.02 H new ATOM 0 HB3 ALA B 526 49.243 11.096 -5.147 1.00 22.02 H new ATOM 1411 N SER B 527 50.504 8.445 -6.834 1.00 22.23 N ATOM 1412 CA SER B 527 51.070 8.213 -8.158 1.00 10.42 C ATOM 1413 C SER B 527 51.381 9.534 -8.856 1.00 55.23 C ATOM 1414 O SER B 527 50.538 10.427 -8.920 1.00 74.31 O ATOM 1415 CB SER B 527 50.106 7.388 -9.011 1.00 54.03 C ATOM 1416 OG SER B 527 48.761 7.628 -8.637 1.00 33.11 O ATOM 0 H SER B 527 49.622 7.962 -6.662 1.00 22.23 H new ATOM 0 HA SER B 527 52.001 7.659 -8.035 1.00 10.42 H new ATOM 0 HB2 SER B 527 50.244 7.636 -10.064 1.00 54.03 H new ATOM 0 HB3 SER B 527 50.334 6.328 -8.900 1.00 54.03 H new ATOM 0 HG SER B 527 48.164 7.090 -9.198 1.00 33.11 H new ATOM 1422 N GLU B 528 52.599 9.648 -9.378 1.00 34.44 N ATOM 1423 CA GLU B 528 53.022 10.859 -10.070 1.00 70.03 C ATOM 1424 C GLU B 528 52.892 10.696 -11.582 1.00 45.40 C ATOM 1425 O GLU B 528 51.988 11.255 -12.203 1.00 23.21 O ATOM 1426 CB GLU B 528 54.467 11.203 -9.706 1.00 24.51 C ATOM 1427 CG GLU B 528 54.652 11.594 -8.249 1.00 63.11 C ATOM 1428 CD GLU B 528 55.775 12.593 -8.051 1.00 25.14 C ATOM 1429 OE1 GLU B 528 55.497 13.810 -8.070 1.00 15.45 O ATOM 1430 OE2 GLU B 528 56.933 12.157 -7.875 1.00 52.05 O1- ATOM 0 H GLU B 528 53.309 8.917 -9.334 1.00 34.44 H new ATOM 0 HA GLU B 528 52.371 11.674 -9.752 1.00 70.03 H new ATOM 0 HB2 GLU B 528 55.102 10.345 -9.927 1.00 24.51 H new ATOM 0 HB3 GLU B 528 54.807 12.023 -10.339 1.00 24.51 H new ATOM 0 HG2 GLU B 528 53.722 12.018 -7.870 1.00 63.11 H new ATOM 0 HG3 GLU B 528 54.858 10.700 -7.660 1.00 63.11 H new ATOM 1437 N SER B 529 53.803 9.924 -12.168 1.00 24.10 N ATOM 1438 CA SER B 529 53.793 9.690 -13.608 1.00 74.23 C ATOM 1439 C SER B 529 54.001 8.210 -13.918 1.00 3.40 C ATOM 1440 O SER B 529 54.655 7.857 -14.900 1.00 61.24 O ATOM 1441 CB SER B 529 54.881 10.524 -14.288 1.00 63.34 C ATOM 1442 OG SER B 529 56.172 10.116 -13.871 1.00 34.34 O ATOM 0 H SER B 529 54.556 9.451 -11.669 1.00 24.10 H new ATOM 0 HA SER B 529 52.820 9.991 -13.995 1.00 74.23 H new ATOM 0 HB2 SER B 529 54.797 10.424 -15.370 1.00 63.34 H new ATOM 0 HB3 SER B 529 54.736 11.578 -14.053 1.00 63.34 H new ATOM 0 HG SER B 529 56.849 10.663 -14.321 1.00 34.34 H new ATOM 1448 N VAL B 530 53.442 7.351 -13.073 1.00 34.03 N ATOM 1449 CA VAL B 530 53.563 5.909 -13.257 1.00 72.15 C ATOM 1450 C VAL B 530 52.584 5.405 -14.309 1.00 13.35 C ATOM 1451 O VAL B 530 51.427 5.823 -14.347 1.00 62.34 O ATOM 1452 CB VAL B 530 53.318 5.153 -11.938 1.00 51.23 C ATOM 1453 CG1 VAL B 530 51.877 5.325 -11.484 1.00 75.24 C ATOM 1454 CG2 VAL B 530 53.664 3.680 -12.096 1.00 2.14 C ATOM 0 H VAL B 530 52.901 7.628 -12.254 1.00 34.03 H new ATOM 0 HA VAL B 530 54.582 5.717 -13.593 1.00 72.15 H new ATOM 0 HB VAL B 530 53.968 5.575 -11.171 1.00 51.23 H new ATOM 0 HG11 VAL B 530 51.723 4.784 -10.550 1.00 75.24 H new ATOM 0 HG12 VAL B 530 51.668 6.384 -11.329 1.00 75.24 H new ATOM 0 HG13 VAL B 530 51.206 4.931 -12.247 1.00 75.24 H new ATOM 0 HG21 VAL B 530 53.485 3.161 -11.154 1.00 2.14 H new ATOM 0 HG22 VAL B 530 53.041 3.242 -12.876 1.00 2.14 H new ATOM 0 HG23 VAL B 530 54.714 3.580 -12.371 1.00 2.14 H new ATOM 1464 N ASN B 531 53.054 4.501 -15.164 1.00 50.32 N ATOM 1465 CA ASN B 531 52.219 3.939 -16.218 1.00 54.32 C ATOM 1466 C ASN B 531 52.695 2.540 -16.602 1.00 34.52 C ATOM 1467 O ASN B 531 53.705 2.057 -16.092 1.00 34.23 O ATOM 1468 CB ASN B 531 52.231 4.849 -17.449 1.00 1.55 C ATOM 1469 CG ASN B 531 53.438 4.606 -18.335 1.00 54.25 C ATOM 1470 OD1 ASN B 531 53.333 3.966 -19.381 1.00 63.14 O ATOM 1471 ND2 ASN B 531 54.590 5.119 -17.919 1.00 21.12 N ATOM 0 H ASN B 531 54.009 4.143 -15.147 1.00 50.32 H new ATOM 0 HA ASN B 531 51.200 3.866 -15.838 1.00 54.32 H new ATOM 0 HB2 ASN B 531 51.321 4.687 -18.027 1.00 1.55 H new ATOM 0 HB3 ASN B 531 52.223 5.891 -17.128 1.00 1.55 H new ATOM 0 HD21 ASN B 531 55.436 4.989 -18.474 1.00 21.12 H new ATOM 0 HD22 ASN B 531 54.629 5.643 -17.045 1.00 21.12 H new ATOM 1478 N ASN B 532 51.962 1.898 -17.505 1.00 22.22 N ATOM 1479 CA ASN B 532 52.309 0.556 -17.957 1.00 1.42 C ATOM 1480 C ASN B 532 51.576 0.211 -19.249 1.00 44.13 C ATOM 1481 O ASN B 532 50.355 0.352 -19.339 1.00 32.50 O ATOM 1482 CB ASN B 532 51.972 -0.472 -16.875 1.00 52.44 C ATOM 1483 CG ASN B 532 50.478 -0.601 -16.645 1.00 72.53 C ATOM 1484 OD1 ASN B 532 49.750 0.392 -16.653 1.00 72.51 O ATOM 1485 ND2 ASN B 532 50.015 -1.828 -16.438 1.00 42.51 N ATOM 0 H ASN B 532 51.124 2.285 -17.938 1.00 22.22 H new ATOM 0 HA ASN B 532 53.381 0.530 -18.151 1.00 1.42 H new ATOM 0 HB2 ASN B 532 52.378 -1.442 -17.161 1.00 52.44 H new ATOM 0 HB3 ASN B 532 52.457 -0.186 -15.942 1.00 52.44 H new ATOM 0 HD21 ASN B 532 49.019 -1.977 -16.277 1.00 42.51 H new ATOM 0 HD22 ASN B 532 50.655 -2.622 -16.440 1.00 42.51 H new ATOM 1492 N ILE B 533 52.327 -0.243 -20.247 1.00 4.31 N ATOM 1493 CA ILE B 533 51.748 -0.610 -21.533 1.00 60.32 C ATOM 1494 C ILE B 533 52.575 -1.692 -22.219 1.00 54.13 C ATOM 1495 O ILE B 533 53.784 -1.792 -22.010 1.00 12.31 O ATOM 1496 CB ILE B 533 51.640 0.608 -22.470 1.00 51.21 C ATOM 1497 CG1 ILE B 533 52.996 1.305 -22.596 1.00 70.53 C ATOM 1498 CG2 ILE B 533 50.586 1.579 -21.958 1.00 41.24 C ATOM 1499 CD1 ILE B 533 53.907 0.672 -23.625 1.00 11.24 C ATOM 0 H ILE B 533 53.338 -0.365 -20.189 1.00 4.31 H new ATOM 0 HA ILE B 533 50.748 -0.993 -21.331 1.00 60.32 H new ATOM 0 HB ILE B 533 51.338 0.261 -23.458 1.00 51.21 H new ATOM 0 HG12 ILE B 533 52.835 2.350 -22.859 1.00 70.53 H new ATOM 0 HG13 ILE B 533 53.493 1.293 -21.626 1.00 70.53 H new ATOM 0 HG21 ILE B 533 50.522 2.434 -22.631 1.00 41.24 H new ATOM 0 HG22 ILE B 533 49.619 1.077 -21.915 1.00 41.24 H new ATOM 0 HG23 ILE B 533 50.861 1.922 -20.961 1.00 41.24 H new ATOM 0 HD11 ILE B 533 54.850 1.217 -23.661 1.00 11.24 H new ATOM 0 HD12 ILE B 533 54.098 -0.366 -23.352 1.00 11.24 H new ATOM 0 HD13 ILE B 533 53.430 0.708 -24.604 1.00 11.24 H new ATOM 1511 N LEU B 534 51.914 -2.501 -23.040 1.00 4.44 N ATOM 1512 CA LEU B 534 52.587 -3.577 -23.759 1.00 61.11 C ATOM 1513 C LEU B 534 53.308 -3.041 -24.992 1.00 32.54 C ATOM 1514 O LEU B 534 53.039 -1.929 -25.448 1.00 62.31 O ATOM 1515 CB LEU B 534 51.579 -4.651 -24.172 1.00 2.04 C ATOM 1516 CG LEU B 534 50.764 -4.358 -25.431 1.00 60.34 C ATOM 1517 CD1 LEU B 534 51.465 -4.911 -26.662 1.00 34.13 C ATOM 1518 CD2 LEU B 534 49.363 -4.940 -25.307 1.00 61.30 C ATOM 0 H LEU B 534 50.913 -2.432 -23.224 1.00 4.44 H new ATOM 0 HA LEU B 534 53.326 -4.019 -23.091 1.00 61.11 H new ATOM 0 HB2 LEU B 534 52.117 -5.587 -24.321 1.00 2.04 H new ATOM 0 HB3 LEU B 534 50.887 -4.809 -23.344 1.00 2.04 H new ATOM 0 HG LEU B 534 50.679 -3.277 -25.542 1.00 60.34 H new ATOM 0 HD11 LEU B 534 50.870 -4.693 -27.549 1.00 34.13 H new ATOM 0 HD12 LEU B 534 52.447 -4.447 -26.761 1.00 34.13 H new ATOM 0 HD13 LEU B 534 51.582 -5.990 -26.560 1.00 34.13 H new ATOM 0 HD21 LEU B 534 48.797 -4.722 -26.213 1.00 61.30 H new ATOM 0 HD22 LEU B 534 49.428 -6.020 -25.171 1.00 61.30 H new ATOM 0 HD23 LEU B 534 48.859 -4.496 -24.448 1.00 61.30 H new ATOM 1530 N LYS B 535 54.224 -3.838 -25.530 1.00 14.02 N ATOM 1531 CA LYS B 535 54.981 -3.446 -26.712 1.00 64.31 C ATOM 1532 C LYS B 535 54.092 -3.441 -27.952 1.00 72.41 C ATOM 1533 O LYS B 535 54.069 -4.407 -28.714 1.00 14.31 O ATOM 1534 CB LYS B 535 56.163 -4.395 -26.924 1.00 54.24 C ATOM 1535 CG LYS B 535 55.776 -5.863 -26.903 1.00 50.42 C ATOM 1536 CD LYS B 535 56.372 -6.580 -25.704 1.00 13.13 C ATOM 1537 CE LYS B 535 57.808 -7.009 -25.967 1.00 52.33 C ATOM 1538 NZ LYS B 535 58.158 -8.258 -25.235 1.00 62.51 N1+ ATOM 0 H LYS B 535 54.460 -4.761 -25.165 1.00 14.02 H new ATOM 0 HA LYS B 535 55.357 -2.436 -26.552 1.00 64.31 H new ATOM 0 HB2 LYS B 535 56.635 -4.166 -27.879 1.00 54.24 H new ATOM 0 HB3 LYS B 535 56.908 -4.213 -26.149 1.00 54.24 H new ATOM 0 HG2 LYS B 535 54.690 -5.953 -26.879 1.00 50.42 H new ATOM 0 HG3 LYS B 535 56.116 -6.343 -27.821 1.00 50.42 H new ATOM 0 HD2 LYS B 535 56.341 -5.924 -24.834 1.00 13.13 H new ATOM 0 HD3 LYS B 535 55.768 -7.455 -25.465 1.00 13.13 H new ATOM 0 HE2 LYS B 535 57.951 -7.163 -27.037 1.00 52.33 H new ATOM 0 HE3 LYS B 535 58.486 -6.210 -25.667 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 59.144 -8.516 -25.441 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 58.047 -8.104 -24.213 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 57.528 -9.027 -25.540 1.00 62.51 H new ATOM 1552 N GLN B 536 53.363 -2.347 -28.147 1.00 24.12 N ATOM 1553 CA GLN B 536 52.473 -2.217 -29.294 1.00 22.34 C ATOM 1554 C GLN B 536 53.040 -1.236 -30.315 1.00 62.32 C ATOM 1555 O GLN B 536 54.128 -0.690 -30.128 1.00 50.41 O ATOM 1556 CB GLN B 536 51.087 -1.755 -28.841 1.00 51.31 C ATOM 1557 CG GLN B 536 51.123 -0.590 -27.865 1.00 35.41 C ATOM 1558 CD GLN B 536 49.738 -0.147 -27.434 1.00 30.51 C ATOM 1559 OE1 GLN B 536 48.734 -0.747 -27.818 1.00 45.21 O ATOM 1560 NE2 GLN B 536 49.678 0.909 -26.630 1.00 61.41 N ATOM 0 H GLN B 536 53.371 -1.538 -27.526 1.00 24.12 H new ATOM 0 HA GLN B 536 52.386 -3.195 -29.767 1.00 22.34 H new ATOM 0 HB2 GLN B 536 50.505 -1.467 -29.716 1.00 51.31 H new ATOM 0 HB3 GLN B 536 50.568 -2.593 -28.375 1.00 51.31 H new ATOM 0 HG2 GLN B 536 51.699 -0.876 -26.985 1.00 35.41 H new ATOM 0 HG3 GLN B 536 51.642 0.250 -28.327 1.00 35.41 H new ATOM 0 HE21 GLN B 536 50.536 1.376 -26.337 1.00 61.41 H new ATOM 0 HE22 GLN B 536 48.774 1.253 -26.306 1.00 61.41 H new ATOM 1569 N SER B 537 52.298 -1.018 -31.396 1.00 14.31 N ATOM 1570 CA SER B 537 52.729 -0.106 -32.448 1.00 14.23 C ATOM 1571 C SER B 537 51.888 1.166 -32.443 1.00 74.01 C ATOM 1572 O SER B 537 52.363 2.237 -32.065 1.00 11.11 O ATOM 1573 CB SER B 537 52.632 -0.789 -33.814 1.00 13.52 C ATOM 1574 OG SER B 537 53.508 -1.901 -33.891 1.00 64.54 O ATOM 0 H SER B 537 51.395 -1.461 -31.566 1.00 14.31 H new ATOM 0 HA SER B 537 53.767 0.165 -32.257 1.00 14.23 H new ATOM 0 HB2 SER B 537 51.607 -1.117 -33.989 1.00 13.52 H new ATOM 0 HB3 SER B 537 52.876 -0.074 -34.600 1.00 13.52 H new ATOM 0 HG SER B 537 53.426 -2.321 -34.772 1.00 64.54 H new ATOM 1580 N GLY B 538 50.634 1.042 -32.866 1.00 40.34 N ATOM 1581 CA GLY B 538 49.746 2.189 -32.902 1.00 13.30 C ATOM 1582 C GLY B 538 50.041 3.114 -34.066 1.00 44.23 C ATOM 1583 O GLY B 538 51.109 3.037 -34.672 1.00 4.52 O ATOM 0 H GLY B 538 50.217 0.167 -33.185 1.00 40.34 H new ATOM 0 HA2 GLY B 538 48.714 1.844 -32.969 1.00 13.30 H new ATOM 0 HA3 GLY B 538 49.837 2.744 -31.968 1.00 13.30 H new ATOM 1587 N ALA B 539 49.092 3.990 -34.379 1.00 15.34 N ATOM 1588 CA ALA B 539 49.256 4.935 -35.478 1.00 61.14 C ATOM 1589 C ALA B 539 48.247 6.074 -35.378 1.00 52.01 C ATOM 1590 O ALA B 539 47.262 5.981 -34.646 1.00 53.15 O ATOM 1591 CB ALA B 539 49.118 4.219 -36.813 1.00 63.32 C ATOM 0 H ALA B 539 48.201 4.065 -33.887 1.00 15.34 H new ATOM 0 HA ALA B 539 50.256 5.365 -35.410 1.00 61.14 H new ATOM 0 HB1 ALA B 539 49.242 4.936 -37.625 1.00 63.32 H new ATOM 0 HB2 ALA B 539 49.882 3.445 -36.892 1.00 63.32 H new ATOM 0 HB3 ALA B 539 48.131 3.762 -36.881 1.00 63.32 H new ATOM 1597 N TRP B 540 48.500 7.147 -36.118 1.00 64.23 N ATOM 1598 CA TRP B 540 47.613 8.306 -36.111 1.00 74.22 C ATOM 1599 C TRP B 540 47.101 8.606 -37.515 1.00 14.34 C ATOM 1600 O TRP B 540 47.778 8.330 -38.506 1.00 54.13 O ATOM 1601 CB TRP B 540 48.341 9.527 -35.548 1.00 74.04 C ATOM 1602 CG TRP B 540 49.167 9.221 -34.335 1.00 15.41 C ATOM 1603 CD1 TRP B 540 48.867 8.333 -33.342 1.00 11.20 C ATOM 1604 CD2 TRP B 540 50.428 9.802 -33.989 1.00 44.12 C ATOM 1605 NE1 TRP B 540 49.865 8.328 -32.399 1.00 30.21 N ATOM 1606 CE2 TRP B 540 50.834 9.219 -32.772 1.00 22.41 C ATOM 1607 CE3 TRP B 540 51.254 10.757 -34.587 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 52.030 9.562 -32.146 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 52.440 11.097 -33.963 1.00 24.52 C ATOM 1610 CH2 TRP B 540 52.819 10.500 -32.753 1.00 22.11 C ATOM 0 H TRP B 540 49.311 7.239 -36.730 1.00 64.23 H new ATOM 0 HA TRP B 540 46.759 8.076 -35.474 1.00 74.22 H new ATOM 0 HB2 TRP B 540 48.986 9.945 -36.321 1.00 74.04 H new ATOM 0 HB3 TRP B 540 47.608 10.293 -35.295 1.00 74.04 H new ATOM 0 HD1 TRP B 540 47.976 7.724 -33.304 1.00 11.20 H new ATOM 0 HE1 TRP B 540 49.881 7.753 -31.557 1.00 30.21 H new ATOM 0 HE3 TRP B 540 50.971 11.221 -35.520 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 52.324 9.103 -31.214 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 53.085 11.835 -34.416 1.00 24.52 H new ATOM 0 HH2 TRP B 540 53.752 10.786 -32.291 1.00 22.11 H new ATOM 1621 N SER B 541 45.902 9.173 -37.594 1.00 34.54 N ATOM 1622 CA SER B 541 45.297 9.508 -38.878 1.00 2.20 C ATOM 1623 C SER B 541 44.376 10.718 -38.746 1.00 32.22 C ATOM 1624 O SER B 541 44.373 11.605 -39.598 1.00 42.44 O ATOM 1625 CB SER B 541 44.512 8.313 -39.423 1.00 3.02 C ATOM 1626 OG SER B 541 43.116 8.512 -39.282 1.00 54.44 O ATOM 0 H SER B 541 45.330 9.410 -36.784 1.00 34.54 H new ATOM 0 HA SER B 541 46.097 9.757 -39.575 1.00 2.20 H new ATOM 0 HB2 SER B 541 44.757 8.162 -40.474 1.00 3.02 H new ATOM 0 HB3 SER B 541 44.809 7.407 -38.894 1.00 3.02 H new ATOM 0 HG SER B 541 42.637 7.735 -39.639 1.00 54.44 H new ATOM 1632 N GLY B 542 43.595 10.745 -37.670 1.00 4.53 N ATOM 1633 CA GLY B 542 42.681 11.849 -37.446 1.00 64.24 C ATOM 1634 C GLY B 542 41.341 11.392 -36.904 1.00 5.44 C ATOM 1635 O GLY B 542 40.302 11.627 -37.519 1.00 43.23 O ATOM 0 H GLY B 542 43.579 10.022 -36.950 1.00 4.53 H new ATOM 0 HA2 GLY B 542 43.131 12.553 -36.746 1.00 64.24 H new ATOM 0 HA3 GLY B 542 42.527 12.385 -38.383 1.00 64.24 H new ATOM 1639 N ASP B 543 41.365 10.733 -35.749 1.00 11.14 N ATOM 1640 CA ASP B 543 40.144 10.241 -35.125 1.00 52.52 C ATOM 1641 C ASP B 543 39.546 11.292 -34.195 1.00 13.13 C ATOM 1642 O ASP B 543 38.328 11.375 -34.037 1.00 20.02 O ATOM 1643 CB ASP B 543 40.426 8.955 -34.347 1.00 25.25 C ATOM 1644 CG ASP B 543 41.039 7.875 -35.215 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.446 7.553 -36.267 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.109 7.349 -34.844 1.00 51.20 O1- ATOM 0 H ASP B 543 42.217 10.528 -35.227 1.00 11.14 H new ATOM 0 HA ASP B 543 39.423 10.029 -35.914 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.098 9.176 -33.518 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.497 8.585 -33.914 1.00 25.25 H new ATOM 1651 N ASP B 544 40.411 12.092 -33.581 1.00 15.42 N ATOM 1652 CA ASP B 544 39.969 13.139 -32.667 1.00 51.14 C ATOM 1653 C ASP B 544 38.850 13.967 -33.290 1.00 4.23 C ATOM 1654 O ASP B 544 37.967 14.462 -32.589 1.00 2.42 O ATOM 1655 CB ASP B 544 41.142 14.044 -32.290 1.00 73.54 C ATOM 1656 CG ASP B 544 42.236 13.299 -31.550 1.00 21.23 C ATOM 1657 OD1 ASP B 544 42.528 13.667 -30.393 1.00 50.03 O ATOM 1658 OD2 ASP B 544 42.799 12.346 -32.128 1.00 63.43 O1- ATOM 0 H ASP B 544 41.422 12.035 -33.700 1.00 15.42 H new ATOM 0 HA ASP B 544 39.584 12.662 -31.765 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.558 14.490 -33.194 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.780 14.863 -31.668 1.00 73.54 H new ATOM 1663 N LYS B 545 38.894 14.115 -34.609 1.00 75.25 N ATOM 1664 CA LYS B 545 37.884 14.883 -35.328 1.00 24.24 C ATOM 1665 C LYS B 545 36.480 14.451 -34.921 1.00 33.21 C ATOM 1666 O LYS B 545 35.653 15.276 -34.530 1.00 50.14 O ATOM 1667 CB LYS B 545 38.065 14.715 -36.837 1.00 64.44 C ATOM 1668 CG LYS B 545 39.413 15.193 -37.347 1.00 54.23 C ATOM 1669 CD LYS B 545 39.654 16.653 -37.001 1.00 42.41 C ATOM 1670 CE LYS B 545 38.603 17.556 -37.631 1.00 62.41 C ATOM 1671 NZ LYS B 545 38.820 18.987 -37.281 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.619 13.713 -35.203 1.00 75.25 H new ATOM 0 HA LYS B 545 38.010 15.934 -35.069 1.00 24.24 H new ATOM 0 HB2 LYS B 545 37.942 13.663 -37.094 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.276 15.264 -37.352 1.00 64.44 H new ATOM 0 HG2 LYS B 545 40.204 14.580 -36.915 1.00 54.23 H new ATOM 0 HG3 LYS B 545 39.462 15.061 -38.428 1.00 54.23 H new ATOM 0 HD2 LYS B 545 39.641 16.778 -35.918 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.645 16.951 -37.345 1.00 42.41 H new ATOM 0 HE2 LYS B 545 38.626 17.440 -38.715 1.00 62.41 H new ATOM 0 HE3 LYS B 545 37.612 17.247 -37.298 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 38.084 19.569 -37.729 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 38.773 19.103 -36.249 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 39.755 19.290 -37.621 1.00 40.23 H new ATOM 1685 N LEU B 546 36.216 13.152 -35.013 1.00 71.42 N ATOM 1686 CA LEU B 546 34.911 12.609 -34.654 1.00 33.24 C ATOM 1687 C LEU B 546 34.877 12.204 -33.183 1.00 5.43 C ATOM 1688 O LEU B 546 33.822 12.227 -32.548 1.00 43.24 O ATOM 1689 CB LEU B 546 34.579 11.402 -35.533 1.00 40.40 C ATOM 1690 CG LEU B 546 35.516 10.200 -35.407 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.046 9.271 -34.299 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.606 9.453 -36.730 1.00 60.44 C ATOM 0 H LEU B 546 36.889 12.455 -35.333 1.00 71.42 H new ATOM 0 HA LEU B 546 34.164 13.386 -34.817 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.567 11.074 -35.297 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.575 11.726 -36.574 1.00 40.40 H new ATOM 0 HG LEU B 546 36.511 10.564 -35.150 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.725 8.421 -34.224 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.034 9.811 -33.352 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.041 8.914 -34.525 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.277 8.601 -36.622 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.615 9.101 -37.017 1.00 60.44 H new ATOM 0 HD23 LEU B 546 35.990 10.122 -37.500 1.00 60.44 H new ATOM 1704 N GLN B 547 36.036 11.838 -32.648 1.00 42.22 N ATOM 1705 CA GLN B 547 36.138 11.432 -31.251 1.00 10.14 C ATOM 1706 C GLN B 547 35.487 12.462 -30.335 1.00 64.45 C ATOM 1707 O GLN B 547 34.702 12.117 -29.451 1.00 15.25 O ATOM 1708 CB GLN B 547 37.604 11.237 -30.860 1.00 1.31 C ATOM 1709 CG GLN B 547 37.852 9.990 -30.027 1.00 14.25 C ATOM 1710 CD GLN B 547 39.196 10.014 -29.326 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.242 9.869 -29.960 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.176 10.197 -28.012 1.00 30.11 N ATOM 0 H GLN B 547 36.918 11.814 -33.160 1.00 42.22 H new ATOM 0 HA GLN B 547 35.610 10.486 -31.135 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.209 11.185 -31.765 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.941 12.110 -30.301 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.061 9.891 -29.284 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.797 9.111 -30.670 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.286 10.313 -27.527 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.050 10.222 -27.487 1.00 30.11 H new ATOM 1721 N LYS B 548 35.817 13.731 -30.551 1.00 13.42 N ATOM 1722 CA LYS B 548 35.265 14.814 -29.746 1.00 2.43 C ATOM 1723 C LYS B 548 33.746 14.700 -29.649 1.00 11.31 C ATOM 1724 O LYS B 548 33.181 14.735 -28.556 1.00 25.34 O ATOM 1725 CB LYS B 548 35.649 16.169 -30.344 1.00 44.51 C ATOM 1726 CG LYS B 548 35.344 16.287 -31.828 1.00 74.23 C ATOM 1727 CD LYS B 548 36.285 17.263 -32.514 1.00 50.13 C ATOM 1728 CE LYS B 548 36.178 18.656 -31.913 1.00 33.50 C ATOM 1729 NZ LYS B 548 37.016 19.643 -32.648 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.465 14.035 -31.278 1.00 13.42 H new ATOM 0 HA LYS B 548 35.682 14.736 -28.742 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.118 16.957 -29.809 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.714 16.338 -30.186 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.429 15.307 -32.297 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.314 16.617 -31.964 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.311 16.905 -32.425 1.00 50.13 H new ATOM 0 HD3 LYS B 548 36.054 17.306 -33.578 1.00 50.13 H new ATOM 0 HE2 LYS B 548 35.137 18.980 -31.929 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.486 18.625 -30.868 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.916 20.580 -32.208 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 38.013 19.348 -32.611 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.706 19.692 -33.640 1.00 32.25 H new ATOM 1743 N TRP B 549 33.095 14.564 -30.798 1.00 35.00 N ATOM 1744 CA TRP B 549 31.642 14.443 -30.842 1.00 23.03 C ATOM 1745 C TRP B 549 31.171 13.231 -30.044 1.00 60.44 C ATOM 1746 O TRP B 549 30.425 13.366 -29.075 1.00 13.42 O ATOM 1747 CB TRP B 549 31.162 14.333 -32.290 1.00 1.00 C ATOM 1748 CG TRP B 549 31.588 15.488 -33.146 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.787 15.640 -33.780 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.815 16.653 -33.458 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.808 16.829 -34.468 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.610 17.468 -34.287 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.531 17.085 -33.120 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.159 18.690 -34.781 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 29.086 18.298 -33.610 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.897 19.089 -34.434 1.00 4.25 C ATOM 0 H TRP B 549 33.549 14.535 -31.711 1.00 35.00 H new ATOM 0 HA TRP B 549 31.215 15.339 -30.392 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.544 13.409 -32.723 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.074 14.264 -32.301 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.600 14.930 -33.746 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.589 17.179 -35.023 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.897 16.482 -32.487 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.784 19.301 -35.416 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.095 18.642 -33.353 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.519 20.031 -34.802 1.00 4.25 H new ATOM 1767 N VAL B 550 31.613 12.048 -30.459 1.00 65.43 N ATOM 1768 CA VAL B 550 31.238 10.812 -29.781 1.00 41.32 C ATOM 1769 C VAL B 550 31.510 10.902 -28.284 1.00 70.33 C ATOM 1770 O VAL B 550 30.609 10.715 -27.466 1.00 22.45 O ATOM 1771 CB VAL B 550 31.997 9.603 -30.359 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.578 8.322 -29.653 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.765 9.496 -31.859 1.00 22.45 C ATOM 0 H VAL B 550 32.231 11.919 -31.261 1.00 65.43 H new ATOM 0 HA VAL B 550 30.169 10.672 -29.945 1.00 41.32 H new ATOM 0 HB VAL B 550 33.064 9.750 -30.189 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.125 7.479 -30.075 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.801 8.403 -28.589 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.508 8.165 -29.789 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.309 8.636 -32.251 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.700 9.372 -32.054 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.120 10.403 -32.348 1.00 22.45 H new ATOM 1783 N ARG B 551 32.759 11.189 -27.932 1.00 22.31 N ATOM 1784 CA ARG B 551 33.151 11.303 -26.532 1.00 13.54 C ATOM 1785 C ARG B 551 32.135 12.131 -25.749 1.00 30.45 C ATOM 1786 O ARG B 551 31.785 11.794 -24.618 1.00 43.25 O ATOM 1787 CB ARG B 551 34.538 11.938 -26.419 1.00 20.34 C ATOM 1788 CG ARG B 551 35.300 11.517 -25.172 1.00 75.53 C ATOM 1789 CD ARG B 551 36.133 12.662 -24.616 1.00 51.12 C ATOM 1790 NE ARG B 551 36.915 12.254 -23.452 1.00 55.05 N ATOM 1791 CZ ARG B 551 37.983 11.468 -23.523 1.00 23.44 C ATOM 1792 NH1 ARG B 551 38.395 11.007 -24.696 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 38.642 11.141 -22.418 1.00 20.42 N ATOM 0 H ARG B 551 33.517 11.347 -28.597 1.00 22.31 H new ATOM 0 HA ARG B 551 33.182 10.300 -26.106 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.123 11.672 -27.299 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.433 13.023 -26.422 1.00 20.34 H new ATOM 0 HG2 ARG B 551 34.597 11.175 -24.413 1.00 75.53 H new ATOM 0 HG3 ARG B 551 35.949 10.674 -25.408 1.00 75.53 H new ATOM 0 HD2 ARG B 551 36.803 13.033 -25.391 1.00 51.12 H new ATOM 0 HD3 ARG B 551 35.477 13.488 -24.341 1.00 51.12 H new ATOM 0 HE ARG B 551 36.625 12.591 -22.534 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.891 11.256 -25.547 1.00 74.33 H new ATOM 0 HH12 ARG B 551 39.216 10.403 -24.747 1.00 74.33 H new ATOM 0 HH21 ARG B 551 38.328 11.493 -21.514 1.00 20.42 H new ATOM 0 HH22 ARG B 551 39.462 10.537 -22.473 1.00 20.42 H new ATOM 1807 N VAL B 552 31.667 13.216 -26.358 1.00 73.21 N ATOM 1808 CA VAL B 552 30.693 14.091 -25.718 1.00 53.54 C ATOM 1809 C VAL B 552 29.340 13.402 -25.584 1.00 31.11 C ATOM 1810 O VAL B 552 28.660 13.537 -24.567 1.00 31.43 O ATOM 1811 CB VAL B 552 30.513 15.401 -26.507 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.381 16.229 -25.917 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.812 16.194 -26.525 1.00 14.55 C ATOM 0 H VAL B 552 31.947 13.510 -27.294 1.00 73.21 H new ATOM 0 HA VAL B 552 31.079 14.323 -24.725 1.00 53.54 H new ATOM 0 HB VAL B 552 30.251 15.153 -27.535 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.269 17.151 -26.488 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.453 15.660 -25.961 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.610 16.470 -24.879 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.667 17.117 -27.087 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.106 16.434 -25.503 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.594 15.600 -26.998 1.00 14.55 H new ATOM 1823 N TYR B 553 28.955 12.660 -26.618 1.00 3.04 N ATOM 1824 CA TYR B 553 27.681 11.950 -26.617 1.00 51.43 C ATOM 1825 C TYR B 553 27.611 10.959 -25.460 1.00 23.41 C ATOM 1826 O TYR B 553 26.605 10.880 -24.755 1.00 65.22 O ATOM 1827 CB TYR B 553 27.482 11.217 -27.945 1.00 50.50 C ATOM 1828 CG TYR B 553 27.102 9.763 -27.782 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.786 9.392 -27.535 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.059 8.760 -27.874 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.435 8.064 -27.384 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.716 7.431 -27.727 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.403 7.087 -27.482 1.00 52.22 C ATOM 1834 OH TYR B 553 26.058 5.764 -27.333 1.00 2.33 O ATOM 0 H TYR B 553 29.507 12.535 -27.467 1.00 3.04 H new ATOM 0 HA TYR B 553 26.884 12.683 -26.491 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.706 11.725 -28.518 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.401 11.281 -28.527 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.025 10.154 -27.460 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.089 9.025 -28.064 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.408 7.793 -27.190 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.472 6.664 -27.803 1.00 34.42 H new ATOM 0 HH TYR B 553 26.857 5.205 -27.432 1.00 2.33 H new ATOM 1844 N LEU B 554 28.689 10.205 -25.270 1.00 55.44 N ATOM 1845 CA LEU B 554 28.752 9.218 -24.198 1.00 42.23 C ATOM 1846 C LEU B 554 29.044 9.887 -22.859 1.00 53.42 C ATOM 1847 O LEU B 554 28.655 9.383 -21.804 1.00 74.44 O ATOM 1848 CB LEU B 554 29.825 8.171 -24.504 1.00 44.44 C ATOM 1849 CG LEU B 554 31.203 8.716 -24.883 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.153 8.636 -23.698 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.768 7.954 -26.073 1.00 32.42 C ATOM 0 H LEU B 554 29.530 10.259 -25.844 1.00 55.44 H new ATOM 0 HA LEU B 554 27.782 8.726 -24.133 1.00 42.23 H new ATOM 0 HB2 LEU B 554 29.938 7.529 -23.631 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.468 7.541 -25.319 1.00 44.44 H new ATOM 0 HG LEU B 554 31.094 9.763 -25.165 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.128 9.028 -23.986 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.755 9.225 -22.872 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.258 7.597 -23.385 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.749 8.355 -26.329 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.863 6.899 -25.818 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.098 8.062 -26.926 1.00 32.42 H new ATOM 1863 N ASP B 555 29.729 11.023 -22.907 1.00 73.25 N ATOM 1864 CA ASP B 555 30.071 11.764 -21.699 1.00 31.31 C ATOM 1865 C ASP B 555 28.847 12.479 -21.136 1.00 23.23 C ATOM 1866 O ASP B 555 28.712 12.636 -19.922 1.00 34.14 O ATOM 1867 CB ASP B 555 31.180 12.776 -21.991 1.00 72.13 C ATOM 1868 CG ASP B 555 31.591 13.556 -20.758 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.652 13.238 -20.181 1.00 34.15 O ATOM 1870 OD2 ASP B 555 30.852 14.485 -20.370 1.00 21.01 O1- ATOM 0 H ASP B 555 30.059 11.452 -23.771 1.00 73.25 H new ATOM 0 HA ASP B 555 30.428 11.052 -20.955 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.048 12.253 -22.393 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.841 13.470 -22.760 1.00 72.13 H new ATOM 1875 N ARG B 556 27.960 12.913 -22.024 1.00 10.54 N ATOM 1876 CA ARG B 556 26.749 13.614 -21.617 1.00 54.44 C ATOM 1877 C ARG B 556 25.610 12.630 -21.362 1.00 72.41 C ATOM 1878 O ARG B 556 24.760 12.858 -20.503 1.00 3.24 O ATOM 1879 CB ARG B 556 26.334 14.624 -22.687 1.00 35.13 C ATOM 1880 CG ARG B 556 25.957 13.987 -24.014 1.00 22.30 C ATOM 1881 CD ARG B 556 24.462 13.727 -24.103 1.00 71.10 C ATOM 1882 NE ARG B 556 24.164 12.472 -24.789 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.033 12.245 -25.448 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.098 13.184 -25.510 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.835 11.078 -26.047 1.00 21.52 N ATOM 0 H ARG B 556 28.057 12.791 -23.032 1.00 10.54 H new ATOM 0 HA ARG B 556 26.962 14.145 -20.689 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.487 15.203 -22.319 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.153 15.325 -22.850 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.263 14.639 -24.832 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.498 13.049 -24.135 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.038 13.701 -23.099 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.982 14.551 -24.630 1.00 71.10 H new ATOM 0 HE ARG B 556 24.863 11.729 -24.760 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.247 14.083 -25.051 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.231 13.007 -26.017 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.552 10.354 -26.002 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.966 10.905 -26.553 1.00 21.52 H new ATOM 1899 N GLY B 557 25.601 11.536 -22.118 1.00 54.40 N ATOM 1900 CA GLY B 557 24.562 10.534 -21.960 1.00 51.20 C ATOM 1901 C GLY B 557 24.448 10.038 -20.532 1.00 73.35 C ATOM 1902 O GLY B 557 23.494 10.369 -19.829 1.00 64.24 O ATOM 0 H GLY B 557 26.294 11.326 -22.836 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.606 10.954 -22.273 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.771 9.691 -22.619 1.00 51.20 H new ATOM 1906 N GLN B 558 25.422 9.241 -20.104 1.00 30.44 N ATOM 1907 CA GLN B 558 25.423 8.697 -18.752 1.00 71.33 C ATOM 1908 C GLN B 558 26.823 8.749 -18.146 1.00 54.22 C ATOM 1909 O GLN B 558 27.004 9.210 -17.020 1.00 65.12 O ATOM 1910 CB GLN B 558 24.911 7.256 -18.758 1.00 32.20 C ATOM 1911 CG GLN B 558 25.520 6.399 -19.857 1.00 10.50 C ATOM 1912 CD GLN B 558 24.888 5.024 -19.942 1.00 44.43 C ATOM 1913 OE1 GLN B 558 25.465 4.033 -19.493 1.00 32.15 O ATOM 1914 NE2 GLN B 558 23.694 4.955 -20.519 1.00 2.10 N ATOM 0 H GLN B 558 26.219 8.958 -20.674 1.00 30.44 H new ATOM 0 HA GLN B 558 24.758 9.308 -18.141 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.125 6.799 -17.792 1.00 32.20 H new ATOM 0 HB3 GLN B 558 23.827 7.265 -18.874 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.405 6.907 -20.814 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.590 6.293 -19.679 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.251 5.801 -20.878 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.220 4.056 -20.603 1.00 2.10 H new ATOM 1923 N GLU B 559 27.807 8.273 -18.902 1.00 54.14 N ATOM 1924 CA GLU B 559 29.190 8.265 -18.437 1.00 64.14 C ATOM 1925 C GLU B 559 30.132 7.791 -19.541 1.00 45.44 C ATOM 1926 O GLU B 559 29.689 7.331 -20.594 1.00 54.24 O ATOM 1927 CB GLU B 559 29.333 7.364 -17.209 1.00 42.30 C ATOM 1928 CG GLU B 559 29.178 5.884 -17.517 1.00 15.30 C ATOM 1929 CD GLU B 559 29.271 5.018 -16.276 1.00 15.40 C ATOM 1930 OE1 GLU B 559 29.902 3.943 -16.349 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.711 5.415 -15.233 1.00 61.43 O1- ATOM 0 H GLU B 559 27.673 7.889 -19.837 1.00 54.14 H new ATOM 0 HA GLU B 559 29.461 9.285 -18.164 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.311 7.532 -16.758 1.00 42.30 H new ATOM 0 HB3 GLU B 559 28.587 7.652 -16.469 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.216 5.716 -18.002 1.00 15.30 H new ATOM 0 HG3 GLU B 559 29.949 5.581 -18.226 1.00 15.30 H new ATOM 1938 N ALA B 560 31.432 7.908 -19.293 1.00 3.04 N ATOM 1939 CA ALA B 560 32.436 7.491 -20.263 1.00 50.04 C ATOM 1940 C ALA B 560 32.316 6.003 -20.572 1.00 31.25 C ATOM 1941 O ALA B 560 31.736 5.243 -19.797 1.00 10.24 O ATOM 1942 CB ALA B 560 33.831 7.815 -19.750 1.00 41.05 C ATOM 0 H ALA B 560 31.815 8.289 -18.428 1.00 3.04 H new ATOM 0 HA ALA B 560 32.264 8.042 -21.188 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.571 7.498 -20.484 1.00 41.05 H new ATOM 0 HB2 ALA B 560 33.918 8.889 -19.587 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.004 7.290 -18.811 1.00 41.05 H new ATOM 1948 N ILE B 561 32.865 5.594 -21.711 1.00 73.03 N ATOM 1949 CA ILE B 561 32.820 4.196 -22.121 1.00 2.23 C ATOM 1950 C ILE B 561 34.092 3.799 -22.862 1.00 30.44 C ATOM 1951 O ILE B 561 34.536 4.497 -23.775 1.00 42.35 O ATOM 1952 CB ILE B 561 31.604 3.915 -23.024 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.495 4.979 -24.117 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.329 3.865 -22.195 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.512 4.625 -25.210 1.00 63.22 C ATOM 0 H ILE B 561 33.346 6.211 -22.366 1.00 73.03 H new ATOM 0 HA ILE B 561 32.733 3.602 -21.211 1.00 2.23 H new ATOM 0 HB ILE B 561 31.741 2.945 -23.502 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.197 5.924 -23.664 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.478 5.134 -24.561 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.479 3.666 -22.847 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.410 3.072 -21.451 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.184 4.821 -21.692 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.487 5.425 -25.950 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.820 3.696 -25.690 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.519 4.498 -24.779 1.00 63.22 H new ATOM 1967 N LYS B 562 34.674 2.672 -22.466 1.00 34.53 N ATOM 1968 CA LYS B 562 35.894 2.178 -23.094 1.00 5.33 C ATOM 1969 C LYS B 562 35.648 0.840 -23.783 1.00 3.44 C ATOM 1970 O LYS B 562 35.229 -0.129 -23.148 1.00 74.43 O ATOM 1971 CB LYS B 562 37.004 2.030 -22.051 1.00 55.54 C ATOM 1972 CG LYS B 562 38.327 1.562 -22.634 1.00 23.25 C ATOM 1973 CD LYS B 562 39.499 1.977 -21.760 1.00 61.12 C ATOM 1974 CE LYS B 562 40.556 0.887 -21.691 1.00 62.12 C ATOM 1975 NZ LYS B 562 41.927 1.451 -21.540 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.320 2.083 -21.712 1.00 34.53 H new ATOM 0 HA LYS B 562 36.205 2.902 -23.847 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.154 2.988 -21.554 1.00 55.54 H new ATOM 0 HB3 LYS B 562 36.682 1.322 -21.288 1.00 55.54 H new ATOM 0 HG2 LYS B 562 38.316 0.477 -22.739 1.00 23.25 H new ATOM 0 HG3 LYS B 562 38.452 1.977 -23.634 1.00 23.25 H new ATOM 0 HD2 LYS B 562 39.943 2.891 -22.155 1.00 61.12 H new ATOM 0 HD3 LYS B 562 39.143 2.204 -20.755 1.00 61.12 H new ATOM 0 HE2 LYS B 562 40.341 0.226 -20.852 1.00 62.12 H new ATOM 0 HE3 LYS B 562 40.511 0.280 -22.595 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 42.619 0.675 -21.497 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 42.142 2.062 -22.353 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 41.978 2.010 -20.664 1.00 35.51 H new TER 1989 LYS B 562