USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 141 HIS :FLIP no HD1:sc= 0 X(o=-4.6,f=-4.3) USER MOD Set 1.2: A 145 GLN :FLIP amide:sc= -4.27! C(o=-5.3!,f=-4.3!) USER MOD Set 2.1: A 132 SER OG : rot -170:sc= 0.0324 USER MOD Set 2.2: A 135 GLN : amide:sc= -1.07 X(o=-1,f=-0.8) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0173) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.247 F(o=-1.6,f=-0.25) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00216 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.00937 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0269) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.298 USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= -0.0545 (180deg=-0.31) USER MOD Single : A 94 GLN : amide:sc= -1.01 X(o=-1,f=-0.53) USER MOD Single : A 97 THR OG1 : rot -88:sc= -1.44 USER MOD Single : A 100 GLN : amide:sc= 0.235 X(o=0.24,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 104 GLN :FLIP amide:sc= -1.54! C(o=-5.5!,f=-1.5!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 164:sc=-0.00535 (180deg=-0.211) USER MOD Single : A 108 SER OG : rot 32:sc= 0.419 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= -0.319 K(o=-0.32,f=-2) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 12:sc= -0.525 USER MOD Single : B 518 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 130:sc= -0.917 USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 531 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : B 532 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.4) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0.475 X(o=0.48,f=0) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 SER OG : rot 57:sc= 0.635 USER MOD Single : B 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 547 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.45) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 30:sc= -0.451 USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 562 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0501) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 4.702 -18.707 -44.763 1.00 74.20 N ATOM 2 CA MET A 69 5.540 -17.521 -44.893 1.00 31.11 C ATOM 3 C MET A 69 5.123 -16.449 -43.891 1.00 50.54 C ATOM 4 O MET A 69 4.824 -15.316 -44.268 1.00 3.54 O ATOM 5 CB MET A 69 5.457 -16.965 -46.316 1.00 33.12 C ATOM 6 CG MET A 69 4.036 -16.684 -46.777 1.00 34.21 C ATOM 7 SD MET A 69 3.975 -15.613 -48.225 1.00 30.11 S ATOM 8 CE MET A 69 2.722 -14.436 -47.723 1.00 32.55 C ATOM 0 HA MET A 69 6.570 -17.809 -44.683 1.00 31.11 H new ATOM 0 HB2 MET A 69 6.037 -16.044 -46.372 1.00 33.12 H new ATOM 0 HB3 MET A 69 5.919 -17.675 -47.002 1.00 33.12 H new ATOM 0 HG2 MET A 69 3.539 -17.627 -47.006 1.00 34.21 H new ATOM 0 HG3 MET A 69 3.479 -16.220 -45.963 1.00 34.21 H new ATOM 0 HE1 MET A 69 2.570 -13.705 -48.517 1.00 32.55 H new ATOM 0 HE2 MET A 69 1.786 -14.961 -47.529 1.00 32.55 H new ATOM 0 HE3 MET A 69 3.045 -13.925 -46.816 1.00 32.55 H new ATOM 18 N ASP A 70 5.106 -16.814 -42.613 1.00 23.23 N ATOM 19 CA ASP A 70 4.728 -15.883 -41.557 1.00 34.14 C ATOM 20 C ASP A 70 5.911 -15.010 -41.151 1.00 65.45 C ATOM 21 O ASP A 70 7.066 -15.389 -41.338 1.00 24.10 O ATOM 22 CB ASP A 70 4.199 -16.645 -40.341 1.00 21.10 C ATOM 23 CG ASP A 70 5.282 -17.448 -39.647 1.00 71.45 C ATOM 24 OD1 ASP A 70 5.859 -16.939 -38.662 1.00 15.14 O ATOM 25 OD2 ASP A 70 5.551 -18.585 -40.085 1.00 53.42 O1- ATOM 0 H ASP A 70 5.350 -17.748 -42.284 1.00 23.23 H new ATOM 0 HA ASP A 70 3.939 -15.237 -41.942 1.00 34.14 H new ATOM 0 HB2 ASP A 70 3.764 -15.939 -39.634 1.00 21.10 H new ATOM 0 HB3 ASP A 70 3.399 -17.315 -40.655 1.00 21.10 H new ATOM 30 N ASN A 71 5.613 -13.840 -40.597 1.00 22.14 N ATOM 31 CA ASN A 71 6.654 -12.912 -40.165 1.00 34.12 C ATOM 32 C ASN A 71 6.265 -12.230 -38.857 1.00 4.12 C ATOM 33 O ASN A 71 5.094 -11.932 -38.623 1.00 65.53 O ATOM 34 CB ASN A 71 6.907 -11.860 -41.247 1.00 71.13 C ATOM 35 CG ASN A 71 7.686 -12.416 -42.423 1.00 0.32 C ATOM 36 OD1 ASN A 71 7.180 -12.480 -43.543 1.00 3.23 O ATOM 37 ND2 ASN A 71 8.926 -12.821 -42.173 1.00 4.42 N ATOM 0 H ASN A 71 4.661 -13.511 -40.436 1.00 22.14 H new ATOM 0 HA ASN A 71 7.569 -13.481 -39.999 1.00 34.12 H new ATOM 0 HB2 ASN A 71 5.953 -11.468 -41.599 1.00 71.13 H new ATOM 0 HB3 ASN A 71 7.455 -11.023 -40.815 1.00 71.13 H new ATOM 0 HD21 ASN A 71 9.499 -13.204 -42.925 1.00 4.42 H new ATOM 0 HD22 ASN A 71 9.305 -12.749 -41.229 1.00 4.42 H new ATOM 44 N SER A 72 7.258 -11.984 -38.008 1.00 3.04 N ATOM 45 CA SER A 72 7.020 -11.339 -36.722 1.00 45.25 C ATOM 46 C SER A 72 7.693 -9.971 -36.668 1.00 31.43 C ATOM 47 O SER A 72 8.879 -9.837 -36.968 1.00 24.42 O ATOM 48 CB SER A 72 7.539 -12.220 -35.583 1.00 33.44 C ATOM 49 OG SER A 72 7.284 -13.590 -35.841 1.00 30.22 O ATOM 0 H SER A 72 8.234 -12.221 -38.187 1.00 3.04 H new ATOM 0 HA SER A 72 5.945 -11.201 -36.605 1.00 45.25 H new ATOM 0 HB2 SER A 72 8.610 -12.064 -35.457 1.00 33.44 H new ATOM 0 HB3 SER A 72 7.062 -11.928 -34.647 1.00 33.44 H new ATOM 0 HG SER A 72 7.627 -14.132 -35.100 1.00 30.22 H new ATOM 55 N ALA A 73 6.926 -8.956 -36.282 1.00 32.23 N ATOM 56 CA ALA A 73 7.446 -7.598 -36.187 1.00 1.24 C ATOM 57 C ALA A 73 8.390 -7.454 -34.998 1.00 73.54 C ATOM 58 O ALA A 73 9.462 -6.861 -35.111 1.00 43.12 O ATOM 59 CB ALA A 73 6.302 -6.601 -36.079 1.00 50.03 C ATOM 0 H ALA A 73 5.942 -9.049 -36.030 1.00 32.23 H new ATOM 0 HA ALA A 73 8.012 -7.388 -37.095 1.00 1.24 H new ATOM 0 HB1 ALA A 73 6.705 -5.591 -36.009 1.00 50.03 H new ATOM 0 HB2 ALA A 73 5.668 -6.678 -36.962 1.00 50.03 H new ATOM 0 HB3 ALA A 73 5.712 -6.819 -35.189 1.00 50.03 H new ATOM 65 N SER A 74 7.983 -8.000 -33.856 1.00 65.05 N ATOM 66 CA SER A 74 8.790 -7.928 -32.644 1.00 24.22 C ATOM 67 C SER A 74 9.573 -9.221 -32.435 1.00 51.35 C ATOM 68 O SER A 74 9.176 -10.081 -31.649 1.00 13.12 O ATOM 69 CB SER A 74 7.902 -7.655 -31.429 1.00 11.40 C ATOM 70 OG SER A 74 7.358 -6.347 -31.478 1.00 64.15 O ATOM 0 H SER A 74 7.099 -8.497 -33.745 1.00 65.05 H new ATOM 0 HA SER A 74 9.499 -7.108 -32.758 1.00 24.22 H new ATOM 0 HB2 SER A 74 7.095 -8.387 -31.393 1.00 11.40 H new ATOM 0 HB3 SER A 74 8.483 -7.776 -30.515 1.00 11.40 H new ATOM 0 HG SER A 74 6.793 -6.198 -30.691 1.00 64.15 H new ATOM 76 N LYS A 75 10.688 -9.352 -33.146 1.00 51.20 N ATOM 77 CA LYS A 75 11.529 -10.538 -33.040 1.00 61.13 C ATOM 78 C LYS A 75 12.171 -10.627 -31.659 1.00 14.21 C ATOM 79 O LYS A 75 12.382 -11.719 -31.133 1.00 53.03 O ATOM 80 CB LYS A 75 12.615 -10.516 -34.117 1.00 4.54 C ATOM 81 CG LYS A 75 13.456 -9.251 -34.108 1.00 70.10 C ATOM 82 CD LYS A 75 13.244 -8.432 -35.372 1.00 22.54 C ATOM 83 CE LYS A 75 14.530 -7.748 -35.814 1.00 42.01 C ATOM 84 NZ LYS A 75 15.027 -6.787 -34.792 1.00 3.24 N1+ ATOM 0 H LYS A 75 11.030 -8.650 -33.802 1.00 51.20 H new ATOM 0 HA LYS A 75 10.898 -11.415 -33.186 1.00 61.13 H new ATOM 0 HB2 LYS A 75 13.268 -11.378 -33.980 1.00 4.54 H new ATOM 0 HB3 LYS A 75 12.147 -10.624 -35.095 1.00 4.54 H new ATOM 0 HG2 LYS A 75 13.200 -8.649 -33.236 1.00 70.10 H new ATOM 0 HG3 LYS A 75 14.510 -9.514 -34.016 1.00 70.10 H new ATOM 0 HD2 LYS A 75 12.882 -9.080 -36.170 1.00 22.54 H new ATOM 0 HD3 LYS A 75 12.473 -7.682 -35.196 1.00 22.54 H new ATOM 0 HE2 LYS A 75 15.294 -8.501 -36.006 1.00 42.01 H new ATOM 0 HE3 LYS A 75 14.357 -7.222 -36.753 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 15.834 -6.257 -35.178 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 14.266 -6.124 -34.540 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 15.328 -7.307 -33.943 1.00 3.24 H new ATOM 98 N ASN A 76 12.476 -9.473 -31.076 1.00 3.42 N ATOM 99 CA ASN A 76 13.092 -9.422 -29.755 1.00 15.21 C ATOM 100 C ASN A 76 13.344 -7.980 -29.327 1.00 1.14 C ATOM 101 O ASN A 76 13.110 -7.045 -30.092 1.00 24.43 O ATOM 102 CB ASN A 76 14.408 -10.203 -29.754 1.00 52.35 C ATOM 103 CG ASN A 76 15.291 -9.850 -30.935 1.00 1.44 C ATOM 104 OD1 ASN A 76 15.211 -10.648 -31.992 1.00 51.55 O flip ATOM 105 ND2 ASN A 76 16.037 -8.871 -30.896 1.00 51.31 N flip ATOM 0 H ASN A 76 12.307 -8.560 -31.498 1.00 3.42 H new ATOM 0 HA ASN A 76 12.405 -9.878 -29.043 1.00 15.21 H new ATOM 0 HB2 ASN A 76 14.946 -10.001 -28.828 1.00 52.35 H new ATOM 0 HB3 ASN A 76 14.193 -11.271 -29.771 1.00 52.35 H new ATOM 0 HD21 ASN A 76 16.066 -8.285 -30.062 1.00 51.31 H new ATOM 0 HD22 ASN A 76 16.626 -8.646 -31.698 1.00 51.31 H new ATOM 112 N SER A 77 13.820 -7.807 -28.099 1.00 4.44 N ATOM 113 CA SER A 77 14.100 -6.479 -27.566 1.00 12.05 C ATOM 114 C SER A 77 15.596 -6.292 -27.331 1.00 25.02 C ATOM 115 O SER A 77 16.304 -7.236 -26.982 1.00 34.10 O ATOM 116 CB SER A 77 13.336 -6.258 -26.260 1.00 2.00 C ATOM 117 OG SER A 77 13.217 -7.466 -25.528 1.00 22.15 O ATOM 0 H SER A 77 14.020 -8.571 -27.453 1.00 4.44 H new ATOM 0 HA SER A 77 13.770 -5.744 -28.300 1.00 12.05 H new ATOM 0 HB2 SER A 77 13.852 -5.512 -25.655 1.00 2.00 H new ATOM 0 HB3 SER A 77 12.344 -5.862 -26.478 1.00 2.00 H new ATOM 0 HG SER A 77 12.726 -7.298 -24.697 1.00 22.15 H new ATOM 123 N ALA A 78 16.070 -5.065 -27.527 1.00 22.23 N ATOM 124 CA ALA A 78 17.480 -4.752 -27.333 1.00 11.51 C ATOM 125 C ALA A 78 17.694 -3.941 -26.060 1.00 34.52 C ATOM 126 O ALA A 78 18.090 -2.776 -26.115 1.00 71.44 O ATOM 127 CB ALA A 78 18.023 -3.999 -28.539 1.00 23.42 C ATOM 0 H ALA A 78 15.498 -4.273 -27.820 1.00 22.23 H new ATOM 0 HA ALA A 78 18.024 -5.691 -27.228 1.00 11.51 H new ATOM 0 HB1 ALA A 78 19.077 -3.771 -28.381 1.00 23.42 H new ATOM 0 HB2 ALA A 78 17.914 -4.615 -29.432 1.00 23.42 H new ATOM 0 HB3 ALA A 78 17.467 -3.071 -28.669 1.00 23.42 H new ATOM 133 N ILE A 79 17.430 -4.563 -24.917 1.00 74.14 N ATOM 134 CA ILE A 79 17.594 -3.898 -23.630 1.00 71.01 C ATOM 135 C ILE A 79 18.612 -4.626 -22.760 1.00 71.13 C ATOM 136 O ILE A 79 18.410 -5.781 -22.386 1.00 10.44 O ATOM 137 CB ILE A 79 16.259 -3.805 -22.870 1.00 31.22 C ATOM 138 CG1 ILE A 79 16.475 -3.192 -21.485 1.00 14.41 C ATOM 139 CG2 ILE A 79 15.620 -5.181 -22.751 1.00 3.00 C ATOM 140 CD1 ILE A 79 15.201 -2.706 -20.832 1.00 1.13 C ATOM 0 H ILE A 79 17.102 -5.527 -24.855 1.00 74.14 H new ATOM 0 HA ILE A 79 17.954 -2.891 -23.840 1.00 71.01 H new ATOM 0 HB ILE A 79 15.584 -3.159 -23.431 1.00 31.22 H new ATOM 0 HG12 ILE A 79 16.945 -3.933 -20.838 1.00 14.41 H new ATOM 0 HG13 ILE A 79 17.171 -2.357 -21.571 1.00 14.41 H new ATOM 0 HG21 ILE A 79 14.677 -5.099 -22.211 1.00 3.00 H new ATOM 0 HG22 ILE A 79 15.434 -5.583 -23.747 1.00 3.00 H new ATOM 0 HG23 ILE A 79 16.291 -5.848 -22.210 1.00 3.00 H new ATOM 0 HD11 ILE A 79 15.432 -2.284 -19.854 1.00 1.13 H new ATOM 0 HD12 ILE A 79 14.740 -1.941 -21.457 1.00 1.13 H new ATOM 0 HD13 ILE A 79 14.511 -3.542 -20.713 1.00 1.13 H new ATOM 152 N SER A 80 19.707 -3.943 -22.440 1.00 54.20 N ATOM 153 CA SER A 80 20.759 -4.527 -21.616 1.00 1.35 C ATOM 154 C SER A 80 21.678 -3.442 -21.061 1.00 11.25 C ATOM 155 O SER A 80 21.438 -2.252 -21.256 1.00 61.02 O ATOM 156 CB SER A 80 21.572 -5.536 -22.427 1.00 45.00 C ATOM 157 OG SER A 80 22.029 -6.600 -21.610 1.00 4.14 O ATOM 0 H SER A 80 19.889 -2.985 -22.739 1.00 54.20 H new ATOM 0 HA SER A 80 20.287 -5.043 -20.779 1.00 1.35 H new ATOM 0 HB2 SER A 80 20.960 -5.933 -23.237 1.00 45.00 H new ATOM 0 HB3 SER A 80 22.424 -5.035 -22.887 1.00 45.00 H new ATOM 0 HG SER A 80 22.545 -7.232 -22.154 1.00 4.14 H new ATOM 163 N SER A 81 22.731 -3.866 -20.369 1.00 72.10 N ATOM 164 CA SER A 81 23.686 -2.933 -19.783 1.00 3.34 C ATOM 165 C SER A 81 24.941 -2.828 -20.643 1.00 74.11 C ATOM 166 O SER A 81 25.526 -1.754 -20.780 1.00 52.22 O ATOM 167 CB SER A 81 24.059 -3.374 -18.367 1.00 32.25 C ATOM 168 OG SER A 81 22.988 -4.066 -17.749 1.00 4.53 O ATOM 0 H SER A 81 22.944 -4.849 -20.201 1.00 72.10 H new ATOM 0 HA SER A 81 23.215 -1.951 -19.737 1.00 3.34 H new ATOM 0 HB2 SER A 81 24.939 -4.017 -18.403 1.00 32.25 H new ATOM 0 HB3 SER A 81 24.325 -2.502 -17.770 1.00 32.25 H new ATOM 0 HG SER A 81 23.253 -4.339 -16.846 1.00 4.53 H new ATOM 174 N SER A 82 25.350 -3.953 -21.221 1.00 64.12 N ATOM 175 CA SER A 82 26.539 -3.990 -22.065 1.00 73.52 C ATOM 176 C SER A 82 26.257 -3.367 -23.428 1.00 10.43 C ATOM 177 O SER A 82 27.100 -2.665 -23.988 1.00 22.43 O ATOM 178 CB SER A 82 27.020 -5.432 -22.241 1.00 44.04 C ATOM 179 OG SER A 82 26.703 -6.218 -21.106 1.00 54.11 O ATOM 0 H SER A 82 24.876 -4.851 -21.120 1.00 64.12 H new ATOM 0 HA SER A 82 27.321 -3.410 -21.575 1.00 73.52 H new ATOM 0 HB2 SER A 82 26.559 -5.866 -23.128 1.00 44.04 H new ATOM 0 HB3 SER A 82 28.098 -5.442 -22.404 1.00 44.04 H new ATOM 0 HG SER A 82 27.019 -7.135 -21.244 1.00 54.11 H new ATOM 185 N ILE A 83 25.066 -3.626 -23.956 1.00 3.54 N ATOM 186 CA ILE A 83 24.672 -3.090 -25.253 1.00 1.04 C ATOM 187 C ILE A 83 24.880 -1.581 -25.310 1.00 52.44 C ATOM 188 O ILE A 83 25.214 -1.028 -26.358 1.00 74.14 O ATOM 189 CB ILE A 83 23.198 -3.406 -25.568 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.861 -2.993 -27.002 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.282 -2.700 -24.580 1.00 13.24 C ATOM 192 CD1 ILE A 83 23.335 -3.983 -28.043 1.00 71.04 C ATOM 0 H ILE A 83 24.357 -4.204 -23.505 1.00 3.54 H new ATOM 0 HA ILE A 83 25.306 -3.570 -25.999 1.00 1.04 H new ATOM 0 HB ILE A 83 23.044 -4.481 -25.473 1.00 20.12 H new ATOM 0 HG12 ILE A 83 21.782 -2.872 -27.092 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.309 -2.021 -27.206 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.244 -2.933 -24.816 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.509 -3.037 -23.569 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.436 -1.623 -24.647 1.00 13.24 H new ATOM 0 HD11 ILE A 83 23.062 -3.626 -29.036 1.00 71.04 H new ATOM 0 HD12 ILE A 83 24.418 -4.087 -27.980 1.00 71.04 H new ATOM 0 HD13 ILE A 83 22.867 -4.951 -27.864 1.00 71.04 H new ATOM 204 N PHE A 84 24.682 -0.918 -24.174 1.00 22.43 N ATOM 205 CA PHE A 84 24.849 0.527 -24.094 1.00 52.22 C ATOM 206 C PHE A 84 26.234 0.944 -24.581 1.00 1.23 C ATOM 207 O PHE A 84 26.397 1.997 -25.198 1.00 0.11 O ATOM 208 CB PHE A 84 24.636 1.008 -22.657 1.00 51.20 C ATOM 209 CG PHE A 84 23.190 1.126 -22.272 1.00 42.14 C ATOM 210 CD1 PHE A 84 22.710 0.507 -21.129 1.00 24.13 C ATOM 211 CD2 PHE A 84 22.308 1.856 -23.055 1.00 23.11 C ATOM 212 CE1 PHE A 84 21.379 0.613 -20.772 1.00 43.41 C ATOM 213 CE2 PHE A 84 20.976 1.966 -22.703 1.00 3.54 C ATOM 214 CZ PHE A 84 20.511 1.343 -21.560 1.00 63.45 C ATOM 0 H PHE A 84 24.406 -1.360 -23.297 1.00 22.43 H new ATOM 0 HA PHE A 84 24.102 0.989 -24.740 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.130 0.317 -21.974 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.117 1.978 -22.532 1.00 51.20 H new ATOM 0 HD1 PHE A 84 23.384 -0.065 -20.509 1.00 24.13 H new ATOM 0 HD2 PHE A 84 22.666 2.344 -23.950 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.018 0.126 -19.878 1.00 43.41 H new ATOM 0 HE2 PHE A 84 20.299 2.538 -23.320 1.00 3.54 H new ATOM 0 HZ PHE A 84 19.470 1.427 -21.284 1.00 63.45 H new ATOM 224 N CYS A 85 27.229 0.110 -24.299 1.00 41.44 N ATOM 225 CA CYS A 85 28.601 0.390 -24.706 1.00 10.24 C ATOM 226 C CYS A 85 28.793 0.115 -26.194 1.00 23.33 C ATOM 227 O CYS A 85 29.423 0.899 -26.904 1.00 44.32 O ATOM 228 CB CYS A 85 29.580 -0.453 -23.888 1.00 12.32 C ATOM 229 SG CYS A 85 31.308 -0.273 -24.391 1.00 24.32 S ATOM 0 H CYS A 85 27.111 -0.766 -23.790 1.00 41.44 H new ATOM 0 HA CYS A 85 28.801 1.446 -24.521 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.488 -0.179 -22.837 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.296 -1.502 -23.970 1.00 12.32 H new ATOM 0 HG CYS A 85 32.059 -1.023 -23.640 1.00 24.32 H new ATOM 235 N GLU A 86 28.248 -1.004 -26.659 1.00 41.31 N ATOM 236 CA GLU A 86 28.362 -1.383 -28.063 1.00 23.33 C ATOM 237 C GLU A 86 27.931 -0.237 -28.973 1.00 54.43 C ATOM 238 O GLU A 86 28.416 -0.105 -30.097 1.00 14.41 O ATOM 239 CB GLU A 86 27.513 -2.624 -28.350 1.00 70.34 C ATOM 240 CG GLU A 86 27.866 -3.818 -27.480 1.00 12.31 C ATOM 241 CD GLU A 86 29.146 -4.502 -27.920 1.00 71.01 C ATOM 242 OE1 GLU A 86 30.209 -4.201 -27.338 1.00 12.02 O ATOM 243 OE2 GLU A 86 29.085 -5.337 -28.846 1.00 72.23 O1- ATOM 0 H GLU A 86 27.723 -1.664 -26.085 1.00 41.31 H new ATOM 0 HA GLU A 86 29.408 -1.612 -28.267 1.00 23.33 H new ATOM 0 HB2 GLU A 86 26.462 -2.376 -28.203 1.00 70.34 H new ATOM 0 HB3 GLU A 86 27.632 -2.901 -29.398 1.00 70.34 H new ATOM 0 HG2 GLU A 86 27.970 -3.491 -26.445 1.00 12.31 H new ATOM 0 HG3 GLU A 86 27.047 -4.537 -27.506 1.00 12.31 H new ATOM 250 N LYS A 87 27.015 0.591 -28.480 1.00 3.45 N ATOM 251 CA LYS A 87 26.518 1.727 -29.245 1.00 44.40 C ATOM 252 C LYS A 87 27.671 2.567 -29.783 1.00 54.55 C ATOM 253 O LYS A 87 27.536 3.247 -30.801 1.00 13.23 O ATOM 254 CB LYS A 87 25.603 2.593 -28.376 1.00 41.11 C ATOM 255 CG LYS A 87 24.151 2.583 -28.822 1.00 30.21 C ATOM 256 CD LYS A 87 23.586 1.172 -28.850 1.00 62.43 C ATOM 257 CE LYS A 87 22.148 1.139 -28.359 1.00 44.42 C ATOM 258 NZ LYS A 87 21.190 0.865 -29.466 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.602 0.495 -27.552 1.00 3.45 H new ATOM 0 HA LYS A 87 25.947 1.342 -30.090 1.00 44.40 H new ATOM 0 HB2 LYS A 87 25.660 2.245 -27.345 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.970 3.619 -28.387 1.00 41.11 H new ATOM 0 HG2 LYS A 87 23.558 3.200 -28.147 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.071 3.028 -29.814 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.634 0.780 -29.866 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.199 0.521 -28.227 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.044 0.373 -27.591 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.901 2.093 -27.893 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.220 0.851 -29.090 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.271 1.610 -30.187 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.409 -0.057 -29.894 1.00 70.52 H new ATOM 272 N TYR A 88 28.806 2.516 -29.095 1.00 73.21 N ATOM 273 CA TYR A 88 29.983 3.273 -29.503 1.00 74.10 C ATOM 274 C TYR A 88 30.268 3.078 -30.989 1.00 50.10 C ATOM 275 O TYR A 88 30.767 3.981 -31.662 1.00 0.51 O ATOM 276 CB TYR A 88 31.200 2.848 -28.679 1.00 0.31 C ATOM 277 CG TYR A 88 31.941 1.666 -29.260 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.367 0.400 -29.277 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.218 1.812 -29.790 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.041 -0.683 -29.806 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.898 0.734 -30.322 1.00 45.43 C ATOM 282 CZ TYR A 88 33.306 -0.510 -30.328 1.00 51.51 C ATOM 283 OH TYR A 88 33.982 -1.587 -30.856 1.00 33.11 O ATOM 0 H TYR A 88 28.936 1.958 -28.251 1.00 73.21 H new ATOM 0 HA TYR A 88 29.783 4.330 -29.325 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.886 3.691 -28.597 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.876 2.602 -27.668 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.377 0.261 -28.869 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.686 2.785 -29.786 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.580 -1.660 -29.811 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.889 0.866 -30.731 1.00 45.43 H new ATOM 0 HH TYR A 88 34.859 -1.295 -31.182 1.00 33.11 H new ATOM 293 N LYS A 89 29.946 1.892 -31.496 1.00 34.53 N ATOM 294 CA LYS A 89 30.165 1.576 -32.902 1.00 32.43 C ATOM 295 C LYS A 89 29.236 2.393 -33.794 1.00 22.43 C ATOM 296 O LYS A 89 29.689 3.103 -34.692 1.00 3.10 O ATOM 297 CB LYS A 89 29.944 0.082 -33.150 1.00 53.34 C ATOM 298 CG LYS A 89 30.302 -0.360 -34.559 1.00 63.43 C ATOM 299 CD LYS A 89 29.126 -0.200 -35.508 1.00 14.45 C ATOM 300 CE LYS A 89 29.150 -1.255 -36.605 1.00 72.22 C ATOM 301 NZ LYS A 89 30.394 -1.182 -37.419 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.532 1.134 -30.953 1.00 34.53 H new ATOM 0 HA LYS A 89 31.195 1.831 -33.150 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.539 -0.488 -32.437 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.899 -0.159 -32.957 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.146 0.226 -34.922 1.00 63.43 H new ATOM 0 HG3 LYS A 89 30.620 -1.402 -34.545 1.00 63.43 H new ATOM 0 HD2 LYS A 89 28.193 -0.275 -34.949 1.00 14.45 H new ATOM 0 HD3 LYS A 89 29.150 0.793 -35.956 1.00 14.45 H new ATOM 0 HE2 LYS A 89 29.067 -2.246 -36.158 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.284 -1.124 -37.253 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 30.306 -1.809 -38.244 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 30.541 -0.204 -37.742 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 31.205 -1.481 -36.841 1.00 43.33 H new ATOM 315 N GLN A 90 27.935 2.288 -33.540 1.00 2.13 N ATOM 316 CA GLN A 90 26.943 3.019 -34.321 1.00 14.13 C ATOM 317 C GLN A 90 27.238 4.514 -34.311 1.00 2.13 C ATOM 318 O GLN A 90 27.208 5.171 -35.354 1.00 41.43 O ATOM 319 CB GLN A 90 25.539 2.760 -33.770 1.00 44.13 C ATOM 320 CG GLN A 90 24.435 2.990 -34.788 1.00 72.41 C ATOM 321 CD GLN A 90 23.183 2.192 -34.482 1.00 65.22 C ATOM 322 OE1 GLN A 90 22.462 2.487 -33.530 1.00 14.22 O ATOM 323 NE2 GLN A 90 22.919 1.171 -35.291 1.00 61.02 N ATOM 0 H GLN A 90 27.544 1.705 -32.800 1.00 2.13 H new ATOM 0 HA GLN A 90 26.993 2.664 -35.350 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.482 1.732 -33.411 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.370 3.408 -32.910 1.00 44.13 H new ATOM 0 HG2 GLN A 90 24.187 4.051 -34.816 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.799 2.722 -35.780 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.545 0.962 -36.069 1.00 61.02 H new ATOM 0 HE22 GLN A 90 22.091 0.597 -35.134 1.00 61.02 H new ATOM 332 N THR A 91 27.524 5.050 -33.129 1.00 22.11 N ATOM 333 CA THR A 91 27.823 6.469 -32.985 1.00 23.40 C ATOM 334 C THR A 91 29.045 6.860 -33.806 1.00 53.31 C ATOM 335 O THR A 91 29.004 7.812 -34.586 1.00 13.14 O ATOM 336 CB THR A 91 28.068 6.844 -31.510 1.00 43.34 C ATOM 337 OG1 THR A 91 29.257 6.205 -31.034 1.00 21.23 O ATOM 338 CG2 THR A 91 26.885 6.437 -30.644 1.00 21.32 C ATOM 0 H THR A 91 27.555 4.522 -32.257 1.00 22.11 H new ATOM 0 HA THR A 91 26.953 7.014 -33.352 1.00 23.40 H new ATOM 0 HB THR A 91 28.187 7.926 -31.448 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.322 6.317 -30.063 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.081 6.712 -29.608 1.00 21.32 H new ATOM 0 HG22 THR A 91 25.987 6.948 -30.991 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.738 5.359 -30.712 1.00 21.32 H new ATOM 346 N LYS A 92 30.133 6.119 -33.628 1.00 31.12 N ATOM 347 CA LYS A 92 31.369 6.386 -34.356 1.00 63.03 C ATOM 348 C LYS A 92 31.112 6.459 -35.858 1.00 75.23 C ATOM 349 O LYS A 92 31.517 7.413 -36.519 1.00 51.33 O ATOM 350 CB LYS A 92 32.405 5.301 -34.058 1.00 4.45 C ATOM 351 CG LYS A 92 33.840 5.756 -34.265 1.00 1.42 C ATOM 352 CD LYS A 92 34.237 6.825 -33.261 1.00 63.25 C ATOM 353 CE LYS A 92 34.119 6.320 -31.832 1.00 65.32 C ATOM 354 NZ LYS A 92 34.851 5.038 -31.635 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.185 5.328 -32.986 1.00 31.12 H new ATOM 0 HA LYS A 92 31.755 7.350 -34.024 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.284 4.968 -33.027 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.210 4.439 -34.697 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.510 4.902 -34.172 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.957 6.144 -35.277 1.00 1.42 H new ATOM 0 HD2 LYS A 92 35.262 7.142 -33.452 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.603 7.702 -33.392 1.00 63.25 H new ATOM 0 HE2 LYS A 92 34.512 7.072 -31.147 1.00 65.32 H new ATOM 0 HE3 LYS A 92 33.067 6.180 -31.582 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 34.950 4.848 -30.617 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 34.321 4.263 -32.082 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 35.794 5.107 -32.068 1.00 44.20 H new ATOM 368 N GLU A 93 30.434 5.445 -36.388 1.00 42.21 N ATOM 369 CA GLU A 93 30.123 5.396 -37.810 1.00 71.42 C ATOM 370 C GLU A 93 29.306 6.615 -38.231 1.00 60.11 C ATOM 371 O GLU A 93 29.576 7.228 -39.264 1.00 73.42 O ATOM 372 CB GLU A 93 29.356 4.115 -38.144 1.00 74.41 C ATOM 373 CG GLU A 93 29.343 3.782 -39.627 1.00 73.24 C ATOM 374 CD GLU A 93 27.952 3.851 -40.228 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.208 4.797 -39.893 1.00 63.11 O ATOM 376 OE2 GLU A 93 27.608 2.961 -41.033 1.00 60.10 O1- ATOM 0 H GLU A 93 30.090 4.647 -35.853 1.00 42.21 H new ATOM 0 HA GLU A 93 31.063 5.402 -38.361 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.800 3.283 -37.597 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.329 4.215 -37.794 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.998 4.473 -40.157 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.749 2.781 -39.775 1.00 73.24 H new ATOM 383 N GLN A 94 28.308 6.959 -37.424 1.00 40.54 N ATOM 384 CA GLN A 94 27.452 8.103 -37.712 1.00 30.21 C ATOM 385 C GLN A 94 28.257 9.398 -37.717 1.00 52.42 C ATOM 386 O GLN A 94 27.974 10.314 -38.488 1.00 15.43 O ATOM 387 CB GLN A 94 26.323 8.193 -36.685 1.00 23.31 C ATOM 388 CG GLN A 94 25.165 7.250 -36.968 1.00 1.33 C ATOM 389 CD GLN A 94 23.981 7.487 -36.052 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.110 8.308 -36.344 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.942 6.767 -34.937 1.00 14.24 N ATOM 0 H GLN A 94 28.072 6.462 -36.565 1.00 40.54 H new ATOM 0 HA GLN A 94 27.021 7.962 -38.703 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.725 7.974 -35.696 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.949 9.216 -36.658 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.848 7.371 -38.004 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.505 6.220 -36.857 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.685 6.098 -34.735 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.169 6.883 -34.282 1.00 14.24 H new ATOM 400 N ALA A 95 29.261 9.467 -36.849 1.00 25.00 N ATOM 401 CA ALA A 95 30.109 10.650 -36.754 1.00 45.15 C ATOM 402 C ALA A 95 30.956 10.821 -38.010 1.00 70.10 C ATOM 403 O ALA A 95 30.850 11.828 -38.711 1.00 11.14 O ATOM 404 CB ALA A 95 30.998 10.565 -35.522 1.00 72.43 C ATOM 0 H ALA A 95 29.507 8.718 -36.202 1.00 25.00 H new ATOM 0 HA ALA A 95 29.463 11.523 -36.662 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.625 11.454 -35.464 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.377 10.500 -34.629 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.630 9.679 -35.590 1.00 72.43 H new ATOM 410 N LEU A 96 31.798 9.832 -38.289 1.00 21.34 N ATOM 411 CA LEU A 96 32.665 9.873 -39.461 1.00 71.41 C ATOM 412 C LEU A 96 31.851 10.094 -40.732 1.00 65.14 C ATOM 413 O LEU A 96 32.263 10.837 -41.625 1.00 60.24 O ATOM 414 CB LEU A 96 33.464 8.574 -39.574 1.00 41.41 C ATOM 415 CG LEU A 96 32.663 7.278 -39.441 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.188 6.802 -40.805 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.497 6.203 -38.760 1.00 62.41 C ATOM 0 H LEU A 96 31.899 8.992 -37.719 1.00 21.34 H new ATOM 0 HA LEU A 96 33.355 10.708 -39.343 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.972 8.566 -40.539 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.238 8.579 -38.807 1.00 41.41 H new ATOM 0 HG LEU A 96 31.787 7.476 -38.823 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.620 5.879 -40.691 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.554 7.565 -41.256 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.050 6.621 -41.447 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.911 5.288 -38.674 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.391 6.007 -39.352 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.787 6.543 -37.766 1.00 62.41 H new ATOM 429 N THR A 97 30.693 9.447 -40.808 1.00 53.12 N ATOM 430 CA THR A 97 29.820 9.575 -41.969 1.00 4.23 C ATOM 431 C THR A 97 29.359 11.016 -42.155 1.00 42.31 C ATOM 432 O THR A 97 29.459 11.574 -43.248 1.00 43.35 O ATOM 433 CB THR A 97 28.584 8.664 -41.845 1.00 75.23 C ATOM 434 OG1 THR A 97 28.002 8.802 -40.545 1.00 52.14 O ATOM 435 CG2 THR A 97 28.958 7.209 -42.087 1.00 3.45 C ATOM 0 H THR A 97 30.337 8.829 -40.079 1.00 53.12 H new ATOM 0 HA THR A 97 30.403 9.269 -42.838 1.00 4.23 H new ATOM 0 HB THR A 97 27.859 8.967 -42.601 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.422 8.166 -39.929 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.069 6.585 -41.994 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.374 7.102 -43.089 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.699 6.897 -41.351 1.00 3.45 H new ATOM 443 N PHE A 98 28.854 11.614 -41.081 1.00 64.32 N ATOM 444 CA PHE A 98 28.376 12.991 -41.126 1.00 20.12 C ATOM 445 C PHE A 98 29.539 13.964 -41.287 1.00 70.44 C ATOM 446 O PHE A 98 29.376 15.061 -41.823 1.00 24.53 O ATOM 447 CB PHE A 98 27.591 13.322 -39.856 1.00 4.32 C ATOM 448 CG PHE A 98 28.200 14.433 -39.047 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.928 15.757 -39.349 1.00 53.24 C ATOM 450 CD2 PHE A 98 29.045 14.150 -37.985 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.487 16.781 -38.607 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.606 15.170 -37.240 1.00 2.32 C ATOM 453 CZ PHE A 98 29.328 16.487 -37.552 1.00 14.52 C ATOM 0 H PHE A 98 28.765 11.167 -40.169 1.00 64.32 H new ATOM 0 HA PHE A 98 27.717 13.093 -41.988 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.573 13.598 -40.129 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.523 12.427 -39.237 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.272 15.992 -40.174 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.267 13.122 -37.737 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.266 17.809 -38.852 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.262 14.938 -36.414 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.768 17.285 -36.972 1.00 14.52 H new ATOM 463 N PHE A 99 30.715 13.556 -40.820 1.00 61.53 N ATOM 464 CA PHE A 99 31.906 14.393 -40.911 1.00 61.41 C ATOM 465 C PHE A 99 32.466 14.388 -42.330 1.00 60.30 C ATOM 466 O PHE A 99 32.858 15.430 -42.855 1.00 64.11 O ATOM 467 CB PHE A 99 32.972 13.905 -39.928 1.00 43.00 C ATOM 468 CG PHE A 99 34.299 14.591 -40.094 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.474 13.856 -40.133 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.372 15.969 -40.211 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.695 14.483 -40.287 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.590 16.602 -40.365 1.00 44.24 C ATOM 473 CZ PHE A 99 36.753 15.858 -40.401 1.00 54.34 C ATOM 0 H PHE A 99 30.868 12.651 -40.375 1.00 61.53 H new ATOM 0 HA PHE A 99 31.624 15.414 -40.654 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.615 14.062 -38.910 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.108 12.831 -40.056 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.434 12.781 -40.042 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.466 16.556 -40.181 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.603 13.899 -40.318 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.633 17.677 -40.457 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.707 16.351 -40.518 1.00 54.34 H new ATOM 483 N GLN A 100 32.502 13.210 -42.942 1.00 31.14 N ATOM 484 CA GLN A 100 33.016 13.070 -44.300 1.00 2.22 C ATOM 485 C GLN A 100 31.984 13.533 -45.323 1.00 64.05 C ATOM 486 O GLN A 100 32.317 14.225 -46.285 1.00 14.00 O ATOM 487 CB GLN A 100 33.405 11.616 -44.573 1.00 53.03 C ATOM 488 CG GLN A 100 34.655 11.171 -43.831 1.00 64.35 C ATOM 489 CD GLN A 100 34.821 9.664 -43.819 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.812 9.134 -44.323 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.851 8.965 -43.244 1.00 14.41 N ATOM 0 H GLN A 100 32.182 12.338 -42.520 1.00 31.14 H new ATOM 0 HA GLN A 100 33.901 13.699 -44.393 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.575 10.968 -44.291 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.562 11.486 -45.644 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.530 11.625 -44.296 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.613 11.536 -42.805 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.048 9.445 -42.839 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.909 7.947 -43.207 1.00 14.41 H new ATOM 500 N GLU A 101 30.730 13.147 -45.108 1.00 35.51 N ATOM 501 CA GLU A 101 29.650 13.523 -46.014 1.00 4.42 C ATOM 502 C GLU A 101 29.364 15.019 -45.927 1.00 73.11 C ATOM 503 O GLU A 101 29.037 15.659 -46.927 1.00 13.41 O ATOM 504 CB GLU A 101 28.383 12.730 -45.688 1.00 74.32 C ATOM 505 CG GLU A 101 28.506 11.242 -45.970 1.00 62.12 C ATOM 506 CD GLU A 101 28.612 10.937 -47.452 1.00 61.35 C ATOM 507 OE1 GLU A 101 27.559 10.778 -48.103 1.00 22.34 O ATOM 508 OE2 GLU A 101 29.750 10.857 -47.961 1.00 61.22 O1- ATOM 0 H GLU A 101 30.437 12.575 -44.316 1.00 35.51 H new ATOM 0 HA GLU A 101 29.964 13.290 -47.031 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.136 12.872 -44.636 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.553 13.134 -46.268 1.00 74.32 H new ATOM 0 HG2 GLU A 101 29.385 10.850 -45.458 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.640 10.725 -45.557 1.00 62.12 H new ATOM 515 N HIS A 102 29.488 15.571 -44.724 1.00 15.43 N ATOM 516 CA HIS A 102 29.243 16.992 -44.505 1.00 21.40 C ATOM 517 C HIS A 102 30.295 17.589 -43.575 1.00 72.54 C ATOM 518 O HIS A 102 30.033 17.876 -42.406 1.00 40.35 O ATOM 519 CB HIS A 102 27.847 17.205 -43.920 1.00 2.24 C ATOM 520 CG HIS A 102 26.740 16.916 -44.886 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.195 15.660 -45.051 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.077 17.727 -45.742 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.244 15.712 -45.968 1.00 44.23 C ATOM 524 NE2 HIS A 102 25.152 16.956 -46.402 1.00 62.12 N ATOM 0 H HIS A 102 29.757 15.056 -43.886 1.00 15.43 H new ATOM 0 HA HIS A 102 29.307 17.499 -45.468 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.729 16.568 -43.044 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.759 18.236 -43.578 1.00 2.24 H new ATOM 0 HD2 HIS A 102 26.244 18.785 -45.881 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.645 14.879 -46.305 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.500 17.290 -47.112 1.00 62.12 H new ATOM 533 N PRO A 103 31.513 17.779 -44.102 1.00 40.25 N ATOM 534 CA PRO A 103 32.628 18.342 -43.336 1.00 34.11 C ATOM 535 C PRO A 103 32.427 19.820 -43.020 1.00 22.13 C ATOM 536 O PRO A 103 32.679 20.683 -43.861 1.00 74.22 O ATOM 537 CB PRO A 103 33.829 18.153 -44.267 1.00 54.42 C ATOM 538 CG PRO A 103 33.243 18.107 -45.636 1.00 30.51 C ATOM 539 CD PRO A 103 31.895 17.459 -45.489 1.00 20.03 C ATOM 0 HA PRO A 103 32.742 17.857 -42.366 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.540 18.973 -44.168 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.368 17.234 -44.036 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.150 19.109 -46.054 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.878 17.536 -46.313 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.177 17.857 -46.206 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.946 16.383 -45.654 1.00 20.03 H new ATOM 547 N GLN A 104 31.970 20.104 -41.805 1.00 53.52 N ATOM 548 CA GLN A 104 31.735 21.479 -41.380 1.00 32.12 C ATOM 549 C GLN A 104 33.026 22.290 -41.420 1.00 3.31 C ATOM 550 O GLN A 104 33.016 23.476 -41.751 1.00 4.35 O ATOM 551 CB GLN A 104 31.147 21.505 -39.968 1.00 52.22 C ATOM 552 CG GLN A 104 31.907 20.637 -38.976 1.00 72.42 C ATOM 553 CD GLN A 104 31.045 19.542 -38.380 1.00 53.42 C ATOM 554 OE1 GLN A 104 30.116 19.926 -37.513 1.00 50.22 O flip ATOM 555 NE2 GLN A 104 31.214 18.364 -38.694 1.00 43.34 N flip ATOM 0 H GLN A 104 31.755 19.401 -41.098 1.00 53.52 H new ATOM 0 HA GLN A 104 31.023 21.929 -42.072 1.00 32.12 H new ATOM 0 HB2 GLN A 104 31.138 22.533 -39.606 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.110 21.172 -40.009 1.00 52.22 H new ATOM 0 HG2 GLN A 104 32.765 20.187 -39.475 1.00 72.42 H new ATOM 0 HG3 GLN A 104 32.297 21.264 -38.174 1.00 72.42 H new ATOM 0 HE21 GLN A 104 31.941 18.114 -39.365 1.00 43.34 H new ATOM 0 HE22 GLN A 104 30.627 17.638 -38.283 1.00 43.34 H new ATOM 564 N TYR A 105 34.136 21.643 -41.082 1.00 14.32 N ATOM 565 CA TYR A 105 35.435 22.306 -41.078 1.00 65.43 C ATOM 566 C TYR A 105 35.869 22.663 -42.496 1.00 72.42 C ATOM 567 O TYR A 105 36.488 23.702 -42.723 1.00 15.51 O ATOM 568 CB TYR A 105 36.486 21.408 -40.421 1.00 13.44 C ATOM 569 CG TYR A 105 37.725 22.153 -39.976 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.869 22.169 -40.762 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.749 22.839 -38.768 1.00 30.42 C ATOM 572 CE1 TYR A 105 40.004 22.847 -40.358 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.878 23.521 -38.356 1.00 62.22 C ATOM 574 CZ TYR A 105 40.002 23.521 -39.154 1.00 63.32 C ATOM 575 OH TYR A 105 41.130 24.199 -38.749 1.00 2.35 O ATOM 0 H TYR A 105 34.162 20.661 -40.807 1.00 14.32 H new ATOM 0 HA TYR A 105 35.343 23.228 -40.504 1.00 65.43 H new ATOM 0 HB2 TYR A 105 36.041 20.912 -39.558 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.775 20.626 -41.124 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.872 21.643 -41.705 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.870 22.839 -38.140 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.886 22.849 -40.981 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.880 24.051 -37.415 1.00 62.22 H new ATOM 0 HH TYR A 105 40.964 24.621 -37.880 1.00 2.35 H new ATOM 585 N MET A 106 35.539 21.796 -43.446 1.00 2.13 N ATOM 586 CA MET A 106 35.891 22.020 -44.842 1.00 12.33 C ATOM 587 C MET A 106 35.002 23.093 -45.463 1.00 34.43 C ATOM 588 O MET A 106 35.379 23.734 -46.444 1.00 14.31 O ATOM 589 CB MET A 106 35.771 20.718 -45.637 1.00 2.20 C ATOM 590 CG MET A 106 36.631 20.689 -46.891 1.00 33.23 C ATOM 591 SD MET A 106 38.384 20.473 -46.525 1.00 45.54 S ATOM 592 CE MET A 106 38.425 18.739 -46.079 1.00 62.30 C ATOM 0 H MET A 106 35.027 20.930 -43.274 1.00 2.13 H new ATOM 0 HA MET A 106 36.924 22.365 -44.878 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.051 19.883 -44.995 1.00 2.20 H new ATOM 0 HB3 MET A 106 34.729 20.568 -45.918 1.00 2.20 H new ATOM 0 HG2 MET A 106 36.296 19.878 -47.538 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.491 21.617 -47.445 1.00 33.23 H new ATOM 0 HE1 MET A 106 39.454 18.382 -46.102 1.00 62.30 H new ATOM 0 HE2 MET A 106 38.019 18.612 -45.075 1.00 62.30 H new ATOM 0 HE3 MET A 106 37.826 18.167 -46.788 1.00 62.30 H new ATOM 602 N ARG A 107 33.820 23.282 -44.884 1.00 64.32 N ATOM 603 CA ARG A 107 32.877 24.276 -45.382 1.00 35.05 C ATOM 604 C ARG A 107 33.151 25.644 -44.764 1.00 22.20 C ATOM 605 O ARG A 107 33.220 26.652 -45.466 1.00 15.10 O ATOM 606 CB ARG A 107 31.441 23.845 -45.077 1.00 40.51 C ATOM 607 CG ARG A 107 30.739 23.186 -46.254 1.00 44.25 C ATOM 608 CD ARG A 107 31.520 21.987 -46.767 1.00 14.22 C ATOM 609 NE ARG A 107 30.879 21.373 -47.927 1.00 62.33 N ATOM 610 CZ ARG A 107 31.503 20.547 -48.761 1.00 43.41 C ATOM 611 NH1 ARG A 107 32.777 20.238 -48.562 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 30.852 20.029 -49.794 1.00 71.14 N ATOM 0 H ARG A 107 33.493 22.760 -44.071 1.00 64.32 H new ATOM 0 HA ARG A 107 33.005 24.353 -46.462 1.00 35.05 H new ATOM 0 HB2 ARG A 107 31.450 23.152 -44.236 1.00 40.51 H new ATOM 0 HB3 ARG A 107 30.867 24.718 -44.765 1.00 40.51 H new ATOM 0 HG2 ARG A 107 29.740 22.869 -45.953 1.00 44.25 H new ATOM 0 HG3 ARG A 107 30.615 23.912 -47.058 1.00 44.25 H new ATOM 0 HD2 ARG A 107 32.530 22.299 -47.033 1.00 14.22 H new ATOM 0 HD3 ARG A 107 31.614 21.248 -45.971 1.00 14.22 H new ATOM 0 HE ARG A 107 29.899 21.590 -48.107 1.00 62.33 H new ATOM 0 HH11 ARG A 107 33.280 20.634 -47.768 1.00 11.24 H new ATOM 0 HH12 ARG A 107 33.254 19.604 -49.203 1.00 11.24 H new ATOM 0 HH21 ARG A 107 29.872 20.264 -49.949 1.00 71.14 H new ATOM 0 HH22 ARG A 107 31.332 19.395 -50.433 1.00 71.14 H new ATOM 626 N SER A 108 33.307 25.669 -43.443 1.00 32.45 N ATOM 627 CA SER A 108 33.569 26.914 -42.729 1.00 62.54 C ATOM 628 C SER A 108 34.267 26.640 -41.400 1.00 72.04 C ATOM 629 O SER A 108 33.929 25.693 -40.691 1.00 3.11 O ATOM 630 CB SER A 108 32.263 27.672 -42.486 1.00 72.53 C ATOM 631 OG SER A 108 31.961 28.530 -43.572 1.00 0.01 O ATOM 0 H SER A 108 33.257 24.843 -42.847 1.00 32.45 H new ATOM 0 HA SER A 108 34.226 27.527 -43.346 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.448 26.962 -42.342 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.343 28.256 -41.569 1.00 72.53 H new ATOM 0 HG SER A 108 32.290 28.132 -44.405 1.00 0.01 H new ATOM 637 N LYS A 109 35.245 27.477 -41.071 1.00 71.21 N ATOM 638 CA LYS A 109 35.993 27.329 -39.828 1.00 31.02 C ATOM 639 C LYS A 109 35.134 27.711 -38.627 1.00 3.25 C ATOM 640 O LYS A 109 35.228 27.098 -37.564 1.00 50.22 O ATOM 641 CB LYS A 109 37.255 28.193 -39.861 1.00 21.34 C ATOM 642 CG LYS A 109 36.971 29.678 -40.015 1.00 52.33 C ATOM 643 CD LYS A 109 38.255 30.488 -40.077 1.00 1.02 C ATOM 644 CE LYS A 109 38.078 31.752 -40.904 1.00 51.12 C ATOM 645 NZ LYS A 109 39.351 32.514 -41.031 1.00 73.22 N1+ ATOM 0 H LYS A 109 35.538 28.265 -41.648 1.00 71.21 H new ATOM 0 HA LYS A 109 36.280 26.282 -39.729 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.819 28.033 -38.942 1.00 21.34 H new ATOM 0 HB3 LYS A 109 37.888 27.865 -40.685 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.390 29.846 -40.922 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.363 30.022 -39.178 1.00 52.33 H new ATOM 0 HD2 LYS A 109 38.568 30.754 -39.067 1.00 1.02 H new ATOM 0 HD3 LYS A 109 39.050 29.879 -40.507 1.00 1.02 H new ATOM 0 HE2 LYS A 109 37.712 31.489 -41.896 1.00 51.12 H new ATOM 0 HE3 LYS A 109 37.320 32.385 -40.442 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 39.189 33.368 -41.601 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 39.688 32.788 -40.086 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 40.067 31.919 -41.495 1.00 73.22 H new ATOM 659 N GLU A 110 34.294 28.727 -38.806 1.00 44.12 N ATOM 660 CA GLU A 110 33.417 29.189 -37.736 1.00 65.03 C ATOM 661 C GLU A 110 32.237 28.240 -37.551 1.00 4.22 C ATOM 662 O GLU A 110 31.825 27.956 -36.426 1.00 42.42 O ATOM 663 CB GLU A 110 32.909 30.601 -38.038 1.00 51.22 C ATOM 664 CG GLU A 110 32.173 30.713 -39.362 1.00 52.11 C ATOM 665 CD GLU A 110 32.486 32.002 -40.097 1.00 73.11 C ATOM 666 OE1 GLU A 110 32.289 32.047 -41.329 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.929 32.966 -39.438 1.00 64.00 O1- ATOM 0 H GLU A 110 34.203 29.245 -39.680 1.00 44.12 H new ATOM 0 HA GLU A 110 33.993 29.208 -36.811 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.244 30.918 -37.235 1.00 51.22 H new ATOM 0 HB3 GLU A 110 33.755 31.289 -38.043 1.00 51.22 H new ATOM 0 HG2 GLU A 110 32.439 29.865 -39.994 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.100 30.653 -39.183 1.00 52.11 H new ATOM 674 N ASP A 111 31.698 27.753 -38.663 1.00 31.12 N ATOM 675 CA ASP A 111 30.565 26.836 -38.625 1.00 2.31 C ATOM 676 C ASP A 111 30.874 25.627 -37.746 1.00 54.23 C ATOM 677 O ASP A 111 30.111 25.298 -36.839 1.00 72.33 O ATOM 678 CB ASP A 111 30.207 26.375 -40.039 1.00 61.15 C ATOM 679 CG ASP A 111 28.852 25.697 -40.101 1.00 72.04 C ATOM 680 OD1 ASP A 111 27.953 26.232 -40.782 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.692 24.632 -39.468 1.00 75.41 O1- ATOM 0 H ASP A 111 32.027 27.978 -39.602 1.00 31.12 H new ATOM 0 HA ASP A 111 29.714 27.366 -38.197 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.211 27.234 -40.710 1.00 61.15 H new ATOM 0 HB3 ASP A 111 30.972 25.686 -40.398 1.00 61.15 H new ATOM 686 N GLU A 112 31.997 24.972 -38.023 1.00 32.13 N ATOM 687 CA GLU A 112 32.404 23.800 -37.256 1.00 62.34 C ATOM 688 C GLU A 112 32.430 24.107 -35.763 1.00 34.15 C ATOM 689 O GLU A 112 31.845 23.381 -34.959 1.00 35.11 O ATOM 690 CB GLU A 112 33.784 23.320 -37.714 1.00 32.10 C ATOM 691 CG GLU A 112 34.352 22.198 -36.859 1.00 0.21 C ATOM 692 CD GLU A 112 35.159 22.713 -35.683 1.00 23.14 C ATOM 693 OE1 GLU A 112 34.813 22.374 -34.532 1.00 62.45 O ATOM 694 OE2 GLU A 112 36.138 23.454 -35.914 1.00 14.24 O1- ATOM 0 H GLU A 112 32.640 25.232 -38.771 1.00 32.13 H new ATOM 0 HA GLU A 112 31.674 23.010 -37.432 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.717 22.980 -38.747 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.476 24.162 -37.700 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.535 21.578 -36.491 1.00 0.21 H new ATOM 0 HG3 GLU A 112 34.984 21.559 -37.477 1.00 0.21 H new ATOM 701 N GLU A 113 33.112 25.189 -35.398 1.00 34.35 N ATOM 702 CA GLU A 113 33.214 25.592 -34.001 1.00 1.04 C ATOM 703 C GLU A 113 31.831 25.799 -33.392 1.00 62.52 C ATOM 704 O GLU A 113 31.480 25.169 -32.394 1.00 62.44 O ATOM 705 CB GLU A 113 34.036 26.875 -33.876 1.00 30.23 C ATOM 706 CG GLU A 113 34.664 27.066 -32.505 1.00 33.05 C ATOM 707 CD GLU A 113 33.633 27.305 -31.419 1.00 2.32 C ATOM 708 OE1 GLU A 113 33.215 26.321 -30.773 1.00 5.24 O ATOM 709 OE2 GLU A 113 33.244 28.474 -31.215 1.00 53.21 O1- ATOM 0 H GLU A 113 33.602 25.801 -36.051 1.00 34.35 H new ATOM 0 HA GLU A 113 33.716 24.793 -33.455 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.824 26.866 -34.629 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.396 27.729 -34.095 1.00 30.23 H new ATOM 0 HG2 GLU A 113 35.253 26.184 -32.253 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.352 27.910 -32.539 1.00 33.05 H new ATOM 716 N GLN A 114 31.051 26.687 -33.998 1.00 21.15 N ATOM 717 CA GLN A 114 29.706 26.979 -33.515 1.00 15.15 C ATOM 718 C GLN A 114 28.898 25.697 -33.346 1.00 12.24 C ATOM 719 O GLN A 114 28.182 25.528 -32.359 1.00 54.31 O ATOM 720 CB GLN A 114 28.989 27.925 -34.479 1.00 72.44 C ATOM 721 CG GLN A 114 29.590 29.321 -34.522 1.00 22.33 C ATOM 722 CD GLN A 114 29.832 29.895 -33.140 1.00 62.33 C ATOM 723 OE1 GLN A 114 28.891 30.237 -32.423 1.00 32.25 O ATOM 724 NE2 GLN A 114 31.099 30.005 -32.759 1.00 40.41 N ATOM 0 H GLN A 114 31.327 27.217 -34.825 1.00 21.15 H new ATOM 0 HA GLN A 114 29.794 27.462 -32.542 1.00 15.15 H new ATOM 0 HB2 GLN A 114 29.014 27.497 -35.481 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.941 27.999 -34.190 1.00 72.44 H new ATOM 0 HG2 GLN A 114 30.533 29.290 -35.068 1.00 22.33 H new ATOM 0 HG3 GLN A 114 28.923 29.983 -35.074 1.00 22.33 H new ATOM 0 HE21 GLN A 114 31.847 29.709 -33.386 1.00 40.41 H new ATOM 0 HE22 GLN A 114 31.324 30.385 -31.840 1.00 40.41 H new ATOM 733 N LEU A 115 29.018 24.797 -34.315 1.00 24.11 N ATOM 734 CA LEU A 115 28.297 23.529 -34.275 1.00 72.35 C ATOM 735 C LEU A 115 28.769 22.672 -33.104 1.00 40.11 C ATOM 736 O LEU A 115 27.970 21.995 -32.457 1.00 41.13 O ATOM 737 CB LEU A 115 28.490 22.768 -35.588 1.00 4.21 C ATOM 738 CG LEU A 115 27.263 22.028 -36.122 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.483 21.600 -37.564 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.945 20.823 -35.249 1.00 4.03 C ATOM 0 H LEU A 115 29.607 24.921 -35.138 1.00 24.11 H new ATOM 0 HA LEU A 115 27.237 23.746 -34.140 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.823 23.474 -36.348 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.294 22.045 -35.451 1.00 4.21 H new ATOM 0 HG LEU A 115 26.412 22.708 -36.092 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.599 21.075 -37.927 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.661 22.480 -38.182 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.347 20.937 -37.619 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.069 20.309 -35.644 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.796 20.141 -35.246 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.742 21.155 -34.231 1.00 4.03 H new ATOM 752 N MET A 116 30.069 22.710 -32.836 1.00 70.42 N ATOM 753 CA MET A 116 30.646 21.939 -31.740 1.00 64.52 C ATOM 754 C MET A 116 30.111 22.421 -30.396 1.00 75.03 C ATOM 755 O MET A 116 29.512 21.654 -29.642 1.00 41.14 O ATOM 756 CB MET A 116 32.173 22.045 -31.762 1.00 43.44 C ATOM 757 CG MET A 116 32.855 21.208 -30.692 1.00 45.44 C ATOM 758 SD MET A 116 33.515 22.209 -29.345 1.00 64.42 S ATOM 759 CE MET A 116 35.098 22.694 -30.028 1.00 64.32 C ATOM 0 H MET A 116 30.743 23.266 -33.362 1.00 70.42 H new ATOM 0 HA MET A 116 30.359 20.896 -31.872 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.537 21.734 -32.741 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.459 23.089 -31.632 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.142 20.488 -30.289 1.00 45.44 H new ATOM 0 HG3 MET A 116 33.665 20.636 -31.145 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.628 23.320 -29.310 1.00 64.32 H new ATOM 0 HE2 MET A 116 35.691 21.804 -30.241 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.940 23.254 -30.950 1.00 64.32 H new ATOM 769 N THR A 117 30.331 23.699 -30.100 1.00 23.24 N ATOM 770 CA THR A 117 29.873 24.283 -28.847 1.00 45.12 C ATOM 771 C THR A 117 28.381 24.045 -28.642 1.00 55.01 C ATOM 772 O THR A 117 27.950 23.650 -27.559 1.00 75.24 O ATOM 773 CB THR A 117 30.150 25.798 -28.798 1.00 45.34 C ATOM 774 OG1 THR A 117 29.554 26.368 -27.626 1.00 40.01 O ATOM 775 CG2 THR A 117 29.602 26.489 -30.037 1.00 22.51 C ATOM 0 H THR A 117 30.824 24.349 -30.712 1.00 23.24 H new ATOM 0 HA THR A 117 30.430 23.793 -28.049 1.00 45.12 H new ATOM 0 HB THR A 117 31.229 25.946 -28.766 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.736 27.331 -27.602 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.810 27.558 -29.980 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.078 26.074 -30.925 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.525 26.331 -30.095 1.00 22.51 H new ATOM 783 N GLU A 118 27.598 24.286 -29.688 1.00 13.24 N ATOM 784 CA GLU A 118 26.154 24.097 -29.623 1.00 64.41 C ATOM 785 C GLU A 118 25.806 22.621 -29.451 1.00 71.35 C ATOM 786 O GLU A 118 24.921 22.267 -28.672 1.00 2.31 O ATOM 787 CB GLU A 118 25.486 24.646 -30.884 1.00 42.20 C ATOM 788 CG GLU A 118 25.253 26.147 -30.846 1.00 62.40 C ATOM 789 CD GLU A 118 23.907 26.513 -30.251 1.00 32.23 C ATOM 790 OE1 GLU A 118 22.907 25.844 -30.590 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.852 27.468 -29.448 1.00 51.30 O1- ATOM 0 H GLU A 118 27.940 24.613 -30.592 1.00 13.24 H new ATOM 0 HA GLU A 118 25.781 24.644 -28.757 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.106 24.405 -31.748 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.530 24.142 -31.027 1.00 42.20 H new ATOM 0 HG2 GLU A 118 26.044 26.619 -30.264 1.00 62.40 H new ATOM 0 HG3 GLU A 118 25.320 26.547 -31.858 1.00 62.40 H new ATOM 798 N PHE A 119 26.508 21.764 -30.185 1.00 72.35 N ATOM 799 CA PHE A 119 26.274 20.327 -30.116 1.00 31.24 C ATOM 800 C PHE A 119 26.514 19.804 -28.703 1.00 51.21 C ATOM 801 O PHE A 119 25.905 18.821 -28.280 1.00 74.52 O ATOM 802 CB PHE A 119 27.182 19.592 -31.106 1.00 12.54 C ATOM 803 CG PHE A 119 27.363 18.137 -30.785 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.497 17.697 -30.121 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.401 17.208 -31.148 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.668 16.357 -29.824 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.567 15.868 -30.853 1.00 3.12 C ATOM 808 CZ PHE A 119 27.702 15.441 -30.191 1.00 63.33 C ATOM 0 H PHE A 119 27.244 22.040 -30.835 1.00 72.35 H new ATOM 0 HA PHE A 119 25.233 20.141 -30.381 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.764 19.686 -32.108 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.158 20.077 -31.121 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.256 18.409 -29.832 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.512 17.535 -31.667 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.556 16.027 -29.306 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.809 15.154 -31.140 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.833 14.394 -29.961 1.00 63.33 H new ATOM 818 N LYS A 120 27.407 20.467 -27.976 1.00 14.44 N ATOM 819 CA LYS A 120 27.730 20.072 -26.611 1.00 23.11 C ATOM 820 C LYS A 120 26.709 20.633 -25.627 1.00 34.44 C ATOM 821 O LYS A 120 26.394 20.005 -24.616 1.00 62.52 O ATOM 822 CB LYS A 120 29.133 20.552 -26.236 1.00 32.24 C ATOM 823 CG LYS A 120 30.204 19.487 -26.396 1.00 15.35 C ATOM 824 CD LYS A 120 31.575 20.102 -26.618 1.00 0.00 C ATOM 825 CE LYS A 120 31.989 20.979 -25.446 1.00 12.11 C ATOM 826 NZ LYS A 120 33.444 21.297 -25.479 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.921 21.282 -28.311 1.00 14.44 H new ATOM 0 HA LYS A 120 27.700 18.984 -26.558 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.391 21.411 -26.855 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.126 20.895 -25.202 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.227 18.857 -25.507 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.953 18.842 -27.238 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.311 19.311 -26.760 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.565 20.695 -27.532 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.414 21.905 -25.464 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.749 20.473 -24.511 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.687 21.896 -24.664 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.993 20.415 -25.436 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.669 21.802 -26.360 1.00 75.10 H new ATOM 840 N LYS A 121 26.193 21.820 -25.928 1.00 31.11 N ATOM 841 CA LYS A 121 25.205 22.466 -25.073 1.00 75.21 C ATOM 842 C LYS A 121 23.825 21.849 -25.273 1.00 2.10 C ATOM 843 O LYS A 121 23.030 21.763 -24.337 1.00 52.44 O ATOM 844 CB LYS A 121 25.152 23.967 -25.364 1.00 1.02 C ATOM 845 CG LYS A 121 24.020 24.366 -26.295 1.00 1.41 C ATOM 846 CD LYS A 121 24.153 25.811 -26.748 1.00 43.52 C ATOM 847 CE LYS A 121 24.034 26.775 -25.577 1.00 20.23 C ATOM 848 NZ LYS A 121 23.171 27.943 -25.907 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.444 22.355 -26.760 1.00 31.11 H new ATOM 0 HA LYS A 121 25.504 22.314 -24.036 1.00 75.21 H new ATOM 0 HB2 LYS A 121 25.045 24.507 -24.423 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.100 24.277 -25.804 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.015 23.710 -27.165 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.065 24.229 -25.788 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.115 25.952 -27.241 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.382 26.035 -27.485 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.622 26.251 -24.715 1.00 20.23 H new ATOM 0 HE3 LYS A 121 25.026 27.125 -25.292 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.115 28.577 -25.084 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.578 28.458 -26.714 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.217 27.611 -26.154 1.00 31.14 H new ATOM 862 N VAL A 122 23.546 21.419 -26.500 1.00 23.10 N ATOM 863 CA VAL A 122 22.262 20.808 -26.823 1.00 13.41 C ATOM 864 C VAL A 122 22.176 19.389 -26.272 1.00 52.23 C ATOM 865 O VAL A 122 21.090 18.815 -26.171 1.00 71.34 O ATOM 866 CB VAL A 122 22.024 20.772 -28.344 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.122 22.171 -28.933 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.014 19.832 -29.016 1.00 1.45 C ATOM 0 H VAL A 122 24.192 21.483 -27.287 1.00 23.10 H new ATOM 0 HA VAL A 122 21.492 21.423 -26.358 1.00 13.41 H new ATOM 0 HB VAL A 122 21.018 20.396 -28.528 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.951 22.126 -30.009 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.371 22.813 -28.473 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.115 22.578 -28.740 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.831 19.819 -30.091 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.030 20.177 -28.825 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.891 18.826 -28.615 1.00 1.45 H new ATOM 878 N LEU A 123 23.326 18.827 -25.917 1.00 4.14 N ATOM 879 CA LEU A 123 23.381 17.473 -25.375 1.00 53.40 C ATOM 880 C LEU A 123 23.035 17.467 -23.890 1.00 25.13 C ATOM 881 O LEU A 123 22.406 16.532 -23.392 1.00 61.25 O ATOM 882 CB LEU A 123 24.772 16.873 -25.589 1.00 74.02 C ATOM 883 CG LEU A 123 24.977 16.101 -26.892 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.066 16.642 -27.983 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.433 16.166 -27.328 1.00 1.21 C ATOM 0 H LEU A 123 24.233 19.287 -25.994 1.00 4.14 H new ATOM 0 HA LEU A 123 22.645 16.866 -25.903 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.504 17.680 -25.549 1.00 74.02 H new ATOM 0 HB3 LEU A 123 24.989 16.204 -24.756 1.00 74.02 H new ATOM 0 HG LEU A 123 24.718 15.057 -26.717 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.226 16.080 -28.903 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.026 16.540 -27.672 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.292 17.694 -28.157 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.560 15.611 -28.257 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.720 17.206 -27.485 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.064 15.728 -26.555 1.00 1.21 H new ATOM 897 N LEU A 124 23.447 18.516 -23.187 1.00 54.13 N ATOM 898 CA LEU A 124 23.179 18.633 -21.758 1.00 75.34 C ATOM 899 C LEU A 124 21.884 19.400 -21.508 1.00 14.20 C ATOM 900 O LEU A 124 21.409 19.481 -20.376 1.00 71.21 O ATOM 901 CB LEU A 124 24.343 19.333 -21.056 1.00 22.35 C ATOM 902 CG LEU A 124 25.584 18.477 -20.797 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.412 18.341 -22.066 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.420 19.075 -19.675 1.00 45.33 C ATOM 0 H LEU A 124 23.968 19.298 -23.583 1.00 54.13 H new ATOM 0 HA LEU A 124 23.069 17.628 -21.351 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.639 20.193 -21.656 1.00 22.35 H new ATOM 0 HB3 LEU A 124 23.986 19.718 -20.101 1.00 22.35 H new ATOM 0 HG LEU A 124 25.259 17.483 -20.491 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.291 17.729 -21.863 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.812 17.868 -22.843 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.727 19.329 -22.402 1.00 33.13 H new ATOM 0 HD21 LEU A 124 27.299 18.453 -19.505 1.00 45.33 H new ATOM 0 HD22 LEU A 124 26.736 20.081 -19.953 1.00 45.33 H new ATOM 0 HD23 LEU A 124 25.825 19.121 -18.763 1.00 45.33 H new ATOM 916 N GLU A 125 21.318 19.958 -22.573 1.00 14.41 N ATOM 917 CA GLU A 125 20.077 20.717 -22.469 1.00 41.11 C ATOM 918 C GLU A 125 18.918 19.810 -22.067 1.00 63.43 C ATOM 919 O GLU A 125 18.282 19.994 -21.029 1.00 14.15 O ATOM 920 CB GLU A 125 19.763 21.409 -23.797 1.00 64.13 C ATOM 921 CG GLU A 125 18.276 21.599 -24.046 1.00 62.33 C ATOM 922 CD GLU A 125 17.582 22.320 -22.907 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.162 23.288 -22.374 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.456 21.914 -22.549 1.00 3.44 O1- ATOM 0 H GLU A 125 21.699 19.899 -23.517 1.00 14.41 H new ATOM 0 HA GLU A 125 20.207 21.475 -21.696 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.253 22.382 -23.815 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.188 20.823 -24.612 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.135 22.163 -24.968 1.00 62.33 H new ATOM 0 HG3 GLU A 125 17.809 20.625 -24.193 1.00 62.33 H new ATOM 931 N PRO A 126 18.632 18.806 -22.910 1.00 30.12 N ATOM 932 CA PRO A 126 17.548 17.851 -22.666 1.00 22.40 C ATOM 933 C PRO A 126 17.851 16.916 -21.500 1.00 25.33 C ATOM 934 O PRO A 126 19.009 16.725 -21.129 1.00 41.31 O ATOM 935 CB PRO A 126 17.467 17.063 -23.976 1.00 61.24 C ATOM 936 CG PRO A 126 18.829 17.173 -24.569 1.00 12.33 C ATOM 937 CD PRO A 126 19.347 18.527 -24.167 1.00 0.12 C ATOM 0 HA PRO A 126 16.618 18.351 -22.395 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.196 16.023 -23.796 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.711 17.478 -24.642 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.480 16.381 -24.200 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.791 17.076 -25.654 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.427 18.517 -24.021 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.135 19.280 -24.926 1.00 0.12 H new ATOM 945 N GLY A 127 16.803 16.334 -20.926 1.00 43.42 N ATOM 946 CA GLY A 127 16.979 15.425 -19.808 1.00 51.41 C ATOM 947 C GLY A 127 17.153 13.986 -20.253 1.00 23.25 C ATOM 948 O GLY A 127 17.659 13.155 -19.500 1.00 21.10 O ATOM 0 H GLY A 127 15.835 16.475 -21.215 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.850 15.731 -19.229 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.115 15.496 -19.147 1.00 51.41 H new ATOM 952 N SER A 128 16.733 13.692 -21.478 1.00 64.24 N ATOM 953 CA SER A 128 16.840 12.342 -22.020 1.00 14.15 C ATOM 954 C SER A 128 18.234 12.095 -22.590 1.00 43.42 C ATOM 955 O SER A 128 18.382 11.647 -23.727 1.00 75.43 O ATOM 956 CB SER A 128 15.786 12.120 -23.107 1.00 12.14 C ATOM 957 OG SER A 128 14.496 12.483 -22.646 1.00 41.51 O ATOM 0 H SER A 128 16.315 14.370 -22.115 1.00 64.24 H new ATOM 0 HA SER A 128 16.667 11.636 -21.207 1.00 14.15 H new ATOM 0 HB2 SER A 128 16.039 12.708 -23.989 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.786 11.073 -23.410 1.00 12.14 H new ATOM 0 HG SER A 128 13.840 12.334 -23.359 1.00 41.51 H new ATOM 963 N LYS A 129 19.253 12.391 -21.791 1.00 13.44 N ATOM 964 CA LYS A 129 20.636 12.201 -22.212 1.00 70.44 C ATOM 965 C LYS A 129 20.854 10.787 -22.743 1.00 11.20 C ATOM 966 O LYS A 129 21.800 10.532 -23.486 1.00 23.24 O ATOM 967 CB LYS A 129 21.588 12.470 -21.045 1.00 55.21 C ATOM 968 CG LYS A 129 21.236 11.703 -19.783 1.00 13.43 C ATOM 969 CD LYS A 129 21.985 12.242 -18.575 1.00 2.32 C ATOM 970 CE LYS A 129 21.191 13.327 -17.866 1.00 34.02 C ATOM 971 NZ LYS A 129 21.568 13.443 -16.430 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.147 12.764 -20.847 1.00 13.44 H new ATOM 0 HA LYS A 129 20.845 12.909 -23.014 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.602 12.209 -21.347 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.586 13.537 -20.824 1.00 55.21 H new ATOM 0 HG2 LYS A 129 20.163 11.767 -19.605 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.474 10.648 -19.919 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.191 11.428 -17.880 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.948 12.642 -18.892 1.00 2.32 H new ATOM 0 HE2 LYS A 129 21.358 14.282 -18.363 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.126 13.108 -17.945 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 21.004 14.194 -15.983 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.385 12.539 -15.949 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.578 13.677 -16.354 1.00 60.14 H new ATOM 985 N ASN A 130 19.970 9.873 -22.358 1.00 50.25 N ATOM 986 CA ASN A 130 20.065 8.485 -22.796 1.00 20.54 C ATOM 987 C ASN A 130 19.381 8.293 -24.147 1.00 24.34 C ATOM 988 O ASN A 130 18.955 7.189 -24.488 1.00 52.01 O ATOM 989 CB ASN A 130 19.435 7.556 -21.757 1.00 13.43 C ATOM 990 CG ASN A 130 17.921 7.533 -21.843 1.00 62.11 C ATOM 991 OD1 ASN A 130 17.293 8.535 -22.184 1.00 43.45 O ATOM 992 ND2 ASN A 130 17.327 6.386 -21.533 1.00 30.42 N ATOM 0 H ASN A 130 19.180 10.068 -21.744 1.00 50.25 H new ATOM 0 HA ASN A 130 21.121 8.236 -22.904 1.00 20.54 H new ATOM 0 HB2 ASN A 130 19.819 6.546 -21.897 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.735 7.876 -20.759 1.00 13.43 H new ATOM 0 HD21 ASN A 130 16.311 6.311 -21.573 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.887 5.580 -21.255 1.00 30.42 H new ATOM 999 N LEU A 131 19.283 9.374 -24.912 1.00 22.31 N ATOM 1000 CA LEU A 131 18.653 9.325 -26.227 1.00 15.12 C ATOM 1001 C LEU A 131 19.648 8.876 -27.292 1.00 65.34 C ATOM 1002 O LEU A 131 20.859 8.894 -27.071 1.00 42.41 O ATOM 1003 CB LEU A 131 18.082 10.697 -26.592 1.00 11.43 C ATOM 1004 CG LEU A 131 19.075 11.860 -26.585 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.713 12.026 -27.956 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.385 13.148 -26.156 1.00 50.13 C ATOM 0 H LEU A 131 19.631 10.295 -24.645 1.00 22.31 H new ATOM 0 HA LEU A 131 17.841 8.599 -26.186 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.637 10.631 -27.585 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.276 10.930 -25.896 1.00 11.43 H new ATOM 0 HG LEU A 131 19.862 11.636 -25.865 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.417 12.858 -27.932 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.242 11.111 -28.224 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.938 12.227 -28.696 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.107 13.965 -26.157 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.577 13.377 -26.851 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.977 13.025 -25.153 1.00 50.13 H new ATOM 1018 N SER A 132 19.129 8.476 -28.448 1.00 12.44 N ATOM 1019 CA SER A 132 19.972 8.021 -29.547 1.00 34.35 C ATOM 1020 C SER A 132 20.875 9.146 -30.042 1.00 0.35 C ATOM 1021 O SER A 132 20.458 10.302 -30.120 1.00 24.34 O ATOM 1022 CB SER A 132 19.109 7.500 -30.699 1.00 71.11 C ATOM 1023 OG SER A 132 17.777 7.972 -30.591 1.00 74.41 O ATOM 0 H SER A 132 18.129 8.458 -28.648 1.00 12.44 H new ATOM 0 HA SER A 132 20.600 7.211 -29.178 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.535 7.819 -31.650 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.113 6.410 -30.697 1.00 71.11 H new ATOM 0 HG SER A 132 17.211 7.505 -31.240 1.00 74.41 H new ATOM 1029 N ILE A 133 22.114 8.800 -30.374 1.00 2.43 N ATOM 1030 CA ILE A 133 23.076 9.780 -30.863 1.00 72.04 C ATOM 1031 C ILE A 133 22.568 10.468 -32.126 1.00 24.01 C ATOM 1032 O ILE A 133 23.018 11.560 -32.474 1.00 53.43 O ATOM 1033 CB ILE A 133 24.441 9.132 -31.159 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.425 10.179 -31.684 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.282 7.998 -32.161 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.804 10.072 -31.071 1.00 63.31 C ATOM 0 H ILE A 133 22.475 7.848 -30.313 1.00 2.43 H new ATOM 0 HA ILE A 133 23.199 10.521 -30.073 1.00 72.04 H new ATOM 0 HB ILE A 133 24.839 8.720 -30.232 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.508 10.078 -32.766 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.025 11.173 -31.487 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.255 7.550 -32.360 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.611 7.242 -31.752 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.865 8.389 -33.089 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.449 10.845 -31.489 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.733 10.203 -29.991 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.224 9.091 -31.290 1.00 63.31 H new ATOM 1048 N TYR A 134 21.626 9.823 -32.805 1.00 51.34 N ATOM 1049 CA TYR A 134 21.055 10.372 -34.029 1.00 14.53 C ATOM 1050 C TYR A 134 20.297 11.666 -33.745 1.00 72.13 C ATOM 1051 O TYR A 134 20.339 12.608 -34.536 1.00 64.14 O ATOM 1052 CB TYR A 134 20.121 9.354 -34.683 1.00 10.23 C ATOM 1053 CG TYR A 134 19.669 9.749 -36.071 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.562 10.297 -36.983 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.349 9.574 -36.469 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.152 10.661 -38.252 1.00 43.31 C ATOM 1057 CE2 TYR A 134 17.932 9.933 -37.737 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.838 10.476 -38.624 1.00 2.11 C ATOM 1059 OH TYR A 134 18.427 10.837 -39.887 1.00 3.43 O ATOM 0 H TYR A 134 21.242 8.920 -32.529 1.00 51.34 H new ATOM 0 HA TYR A 134 21.874 10.595 -34.713 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.628 8.390 -34.736 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.244 9.219 -34.050 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.593 10.441 -36.696 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.637 9.150 -35.776 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.858 11.088 -38.949 1.00 43.31 H new ATOM 0 HE2 TYR A 134 16.903 9.789 -38.031 1.00 22.22 H new ATOM 0 HH TYR A 134 17.472 10.640 -39.989 1.00 3.43 H new ATOM 1069 N GLN A 135 19.605 11.702 -32.611 1.00 15.24 N ATOM 1070 CA GLN A 135 18.838 12.878 -32.222 1.00 3.44 C ATOM 1071 C GLN A 135 19.761 14.014 -31.796 1.00 63.55 C ATOM 1072 O GLN A 135 19.581 15.162 -32.205 1.00 15.31 O ATOM 1073 CB GLN A 135 17.876 12.532 -31.084 1.00 23.05 C ATOM 1074 CG GLN A 135 17.206 11.178 -31.243 1.00 5.20 C ATOM 1075 CD GLN A 135 16.748 10.917 -32.664 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.156 11.785 -33.306 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.019 9.717 -33.164 1.00 23.23 N ATOM 0 H GLN A 135 19.560 10.930 -31.946 1.00 15.24 H new ATOM 0 HA GLN A 135 18.263 13.208 -33.087 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.422 12.549 -30.141 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.108 13.303 -31.022 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.901 10.395 -30.940 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.349 11.120 -30.573 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.512 9.028 -32.597 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.734 9.485 -34.116 1.00 23.23 H new ATOM 1086 N THR A 136 20.752 13.689 -30.971 1.00 4.35 N ATOM 1087 CA THR A 136 21.702 14.682 -30.488 1.00 41.33 C ATOM 1088 C THR A 136 22.303 15.475 -31.643 1.00 13.53 C ATOM 1089 O THR A 136 22.220 16.703 -31.675 1.00 52.25 O ATOM 1090 CB THR A 136 22.841 14.025 -29.685 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.237 12.799 -30.310 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.406 13.754 -28.253 1.00 12.34 C ATOM 0 H THR A 136 20.917 12.744 -30.624 1.00 4.35 H new ATOM 0 HA THR A 136 21.149 15.358 -29.835 1.00 41.33 H new ATOM 0 HB THR A 136 23.687 14.712 -29.667 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.830 12.739 -31.199 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.226 13.290 -27.705 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.134 14.693 -27.772 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.546 13.084 -28.255 1.00 12.34 H new ATOM 1100 N LEU A 137 22.906 14.766 -32.591 1.00 40.20 N ATOM 1101 CA LEU A 137 23.520 15.405 -33.751 1.00 24.30 C ATOM 1102 C LEU A 137 22.466 16.082 -34.620 1.00 25.13 C ATOM 1103 O LEU A 137 22.638 17.226 -35.046 1.00 73.04 O ATOM 1104 CB LEU A 137 24.293 14.375 -34.575 1.00 71.51 C ATOM 1105 CG LEU A 137 25.623 13.904 -33.984 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.179 12.738 -34.787 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.623 15.050 -33.942 1.00 41.53 C ATOM 0 H LEU A 137 22.983 13.749 -32.580 1.00 40.20 H new ATOM 0 HA LEU A 137 24.212 16.167 -33.392 1.00 24.30 H new ATOM 0 HB2 LEU A 137 23.655 13.504 -34.722 1.00 71.51 H new ATOM 0 HB3 LEU A 137 24.486 14.799 -35.561 1.00 71.51 H new ATOM 0 HG LEU A 137 25.446 13.565 -32.963 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.125 12.416 -34.353 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.470 11.911 -34.766 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.341 13.051 -35.818 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.563 14.697 -33.519 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.796 15.419 -34.953 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.227 15.856 -33.324 1.00 41.53 H new ATOM 1119 N LEU A 138 21.374 15.372 -34.880 1.00 10.14 N ATOM 1120 CA LEU A 138 20.290 15.905 -35.698 1.00 31.24 C ATOM 1121 C LEU A 138 19.845 17.272 -35.188 1.00 11.02 C ATOM 1122 O LEU A 138 19.798 18.242 -35.943 1.00 71.33 O ATOM 1123 CB LEU A 138 19.105 14.939 -35.702 1.00 41.12 C ATOM 1124 CG LEU A 138 17.792 15.489 -36.260 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.044 14.410 -37.028 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.927 16.044 -35.137 1.00 22.45 C ATOM 0 H LEU A 138 21.215 14.425 -34.536 1.00 10.14 H new ATOM 0 HA LEU A 138 20.660 16.020 -36.717 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.382 14.058 -36.281 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.930 14.606 -34.679 1.00 41.12 H new ATOM 0 HG LEU A 138 18.024 16.301 -36.949 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.112 14.820 -37.417 1.00 14.12 H new ATOM 0 HD12 LEU A 138 17.660 14.059 -37.856 1.00 14.12 H new ATOM 0 HD13 LEU A 138 16.823 13.576 -36.362 1.00 14.12 H new ATOM 0 HD21 LEU A 138 15.996 16.431 -35.552 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.704 15.251 -34.424 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.461 16.848 -34.630 1.00 22.45 H new ATOM 1138 N ALA A 139 19.522 17.341 -33.901 1.00 11.23 N ATOM 1139 CA ALA A 139 19.085 18.590 -33.289 1.00 25.20 C ATOM 1140 C ALA A 139 20.184 19.646 -33.349 1.00 1.41 C ATOM 1141 O ALA A 139 19.941 20.785 -33.743 1.00 21.21 O ATOM 1142 CB ALA A 139 18.660 18.351 -31.847 1.00 44.04 C ATOM 0 H ALA A 139 19.555 16.547 -33.262 1.00 11.23 H new ATOM 0 HA ALA A 139 18.229 18.961 -33.853 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.336 19.292 -31.402 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.837 17.637 -31.824 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.502 17.953 -31.281 1.00 44.04 H new ATOM 1148 N ALA A 140 21.393 19.257 -32.958 1.00 70.34 N ATOM 1149 CA ALA A 140 22.529 20.169 -32.969 1.00 73.32 C ATOM 1150 C ALA A 140 22.751 20.752 -34.361 1.00 31.53 C ATOM 1151 O ALA A 140 23.168 21.902 -34.504 1.00 61.43 O ATOM 1152 CB ALA A 140 23.784 19.457 -32.487 1.00 20.30 C ATOM 0 H ALA A 140 21.611 18.316 -32.630 1.00 70.34 H new ATOM 0 HA ALA A 140 22.309 20.992 -32.289 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.624 20.151 -32.501 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.629 19.095 -31.471 1.00 20.30 H new ATOM 0 HB3 ALA A 140 23.999 18.614 -33.144 1.00 20.30 H new ATOM 1158 N HIS A 141 22.472 19.951 -35.384 1.00 1.44 N ATOM 1159 CA HIS A 141 22.641 20.388 -36.765 1.00 35.23 C ATOM 1160 C HIS A 141 21.561 21.394 -37.154 1.00 23.11 C ATOM 1161 O HIS A 141 21.860 22.539 -37.492 1.00 71.12 O ATOM 1162 CB HIS A 141 22.600 19.187 -37.711 1.00 54.14 C ATOM 1163 CG HIS A 141 23.178 19.470 -39.064 1.00 62.40 C ATOM 1164 ND1 HIS A 141 22.577 19.785 -40.234 1.00 11.41 N flip ATOM 1165 CD2 HIS A 141 24.531 19.442 -39.324 1.00 55.51 C flip ATOM 1166 CE1 HIS A 141 23.569 19.942 -41.172 1.00 43.34 C flip ATOM 1167 NE2 HIS A 141 24.738 19.730 -40.596 1.00 1.53 N flip ATOM 0 H HIS A 141 22.128 18.996 -35.283 1.00 1.44 H new ATOM 0 HA HIS A 141 23.613 20.875 -36.849 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.146 18.359 -37.258 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.566 18.862 -37.827 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.301 19.219 -38.601 1.00 55.51 H new ATOM 0 HE1 HIS A 141 23.417 20.197 -42.210 1.00 43.34 H new ATOM 0 HE2 HIS A 141 25.647 19.780 -41.056 1.00 1.53 H new ATOM 1176 N GLU A 142 20.307 20.957 -37.103 1.00 21.22 N ATOM 1177 CA GLU A 142 19.183 21.820 -37.451 1.00 60.01 C ATOM 1178 C GLU A 142 19.197 23.095 -36.614 1.00 12.12 C ATOM 1179 O GLU A 142 18.806 24.164 -37.085 1.00 65.25 O ATOM 1180 CB GLU A 142 17.861 21.078 -37.251 1.00 0.33 C ATOM 1181 CG GLU A 142 17.689 20.509 -35.852 1.00 13.53 C ATOM 1182 CD GLU A 142 17.138 21.528 -34.872 1.00 12.43 C ATOM 1183 OE1 GLU A 142 16.765 22.634 -35.315 1.00 13.54 O ATOM 1184 OE2 GLU A 142 17.080 21.218 -33.664 1.00 0.23 O1- ATOM 0 H GLU A 142 20.043 20.012 -36.825 1.00 21.22 H new ATOM 0 HA GLU A 142 19.280 22.095 -38.501 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.036 21.759 -37.461 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.796 20.266 -37.975 1.00 0.33 H new ATOM 0 HG2 GLU A 142 17.019 19.650 -35.893 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.651 20.146 -35.491 1.00 13.53 H new ATOM 1191 N ARG A 143 19.648 22.974 -35.370 1.00 11.21 N ATOM 1192 CA ARG A 143 19.710 24.116 -34.465 1.00 60.32 C ATOM 1193 C ARG A 143 20.772 25.113 -34.921 1.00 61.53 C ATOM 1194 O ARG A 143 20.620 26.322 -34.743 1.00 4.22 O ATOM 1195 CB ARG A 143 20.012 23.648 -33.040 1.00 31.13 C ATOM 1196 CG ARG A 143 18.781 23.185 -32.278 1.00 61.33 C ATOM 1197 CD ARG A 143 18.835 23.615 -30.820 1.00 34.34 C ATOM 1198 NE ARG A 143 18.563 25.041 -30.659 1.00 43.43 N ATOM 1199 CZ ARG A 143 17.351 25.574 -30.752 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.301 24.803 -31.003 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 17.184 26.881 -30.594 1.00 72.21 N ATOM 0 H ARG A 143 19.976 22.097 -34.965 1.00 11.21 H new ATOM 0 HA ARG A 143 18.740 24.613 -34.479 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.733 22.831 -33.080 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.484 24.463 -32.491 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.886 23.595 -32.747 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.703 22.099 -32.336 1.00 61.33 H new ATOM 0 HD2 ARG A 143 18.108 23.040 -30.246 1.00 34.34 H new ATOM 0 HD3 ARG A 143 19.819 23.385 -30.411 1.00 34.34 H new ATOM 0 HE ARG A 143 19.348 25.662 -30.464 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.424 23.798 -31.125 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.371 25.215 -31.074 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.988 27.478 -30.401 1.00 72.21 H new ATOM 0 HH22 ARG A 143 16.252 27.288 -30.666 1.00 72.21 H new ATOM 1215 N LEU A 144 21.846 24.598 -35.507 1.00 51.52 N ATOM 1216 CA LEU A 144 22.935 25.442 -35.988 1.00 34.24 C ATOM 1217 C LEU A 144 22.460 26.351 -37.117 1.00 61.12 C ATOM 1218 O LEU A 144 22.902 27.494 -37.232 1.00 51.43 O ATOM 1219 CB LEU A 144 24.102 24.579 -36.470 1.00 61.43 C ATOM 1220 CG LEU A 144 25.318 25.333 -37.008 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.201 25.807 -35.864 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.110 24.456 -37.967 1.00 54.33 C ATOM 0 H LEU A 144 21.987 23.600 -35.661 1.00 51.52 H new ATOM 0 HA LEU A 144 23.271 26.066 -35.160 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.428 23.949 -35.642 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.737 23.914 -37.253 1.00 61.43 H new ATOM 0 HG LEU A 144 24.965 26.207 -37.555 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.062 26.342 -36.266 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.631 26.472 -35.216 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.544 24.947 -35.289 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.972 25.010 -38.339 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.451 23.562 -37.445 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.475 24.167 -38.804 1.00 54.33 H new ATOM 1234 N GLN A 145 21.558 25.836 -37.946 1.00 51.00 N ATOM 1235 CA GLN A 145 21.022 26.602 -39.064 1.00 12.25 C ATOM 1236 C GLN A 145 19.608 27.085 -38.766 1.00 12.51 C ATOM 1237 O GLN A 145 18.769 27.174 -39.662 1.00 14.40 O ATOM 1238 CB GLN A 145 21.027 25.757 -40.338 1.00 54.30 C ATOM 1239 CG GLN A 145 22.362 25.084 -40.618 1.00 44.02 C ATOM 1240 CD GLN A 145 22.429 23.671 -40.074 1.00 45.43 C ATOM 1241 OE1 GLN A 145 23.621 23.247 -39.669 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 21.420 22.967 -40.016 1.00 40.43 N flip ATOM 0 H GLN A 145 21.183 24.891 -37.864 1.00 51.00 H new ATOM 0 HA GLN A 145 21.660 27.474 -39.212 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.254 24.993 -40.260 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.764 26.391 -41.185 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.536 25.064 -41.694 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.163 25.677 -40.177 1.00 44.02 H new ATOM 0 HE21 GLN A 145 20.524 23.333 -40.338 1.00 40.43 H new ATOM 0 HE22 GLN A 145 21.481 22.018 -39.646 1.00 40.43 H new ATOM 1251 N ALA A 146 19.348 27.396 -37.500 1.00 25.41 N ATOM 1252 CA ALA A 146 18.034 27.871 -37.083 1.00 61.13 C ATOM 1253 C ALA A 146 18.011 29.392 -36.969 1.00 43.10 C ATOM 1254 O ALA A 146 18.754 29.976 -36.178 1.00 53.12 O ATOM 1255 CB ALA A 146 17.638 27.234 -35.760 1.00 73.03 C ATOM 0 H ALA A 146 20.030 27.327 -36.745 1.00 25.41 H new ATOM 0 HA ALA A 146 17.311 27.579 -37.844 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.655 27.598 -35.461 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.605 26.150 -35.873 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.370 27.497 -34.996 1.00 73.03 H new ATOM 1261 N LEU A 147 17.156 30.028 -37.762 1.00 64.13 N ATOM 1262 CA LEU A 147 17.038 31.481 -37.750 1.00 53.53 C ATOM 1263 C LEU A 147 16.298 31.957 -36.504 1.00 25.45 C ATOM 1264 O LEU A 147 16.173 33.164 -36.301 1.00 52.04 O ATOM 1265 CB LEU A 147 16.307 31.963 -39.006 1.00 12.24 C ATOM 1266 CG LEU A 147 17.159 32.094 -40.269 1.00 10.30 C ATOM 1267 CD1 LEU A 147 16.309 31.875 -41.510 1.00 75.04 C ATOM 1268 CD2 LEU A 147 17.836 33.456 -40.316 1.00 34.23 C ATOM 0 H LEU A 147 16.534 29.560 -38.421 1.00 64.13 H new ATOM 0 HA LEU A 147 18.043 31.903 -37.737 1.00 53.53 H new ATOM 0 HB2 LEU A 147 15.489 31.273 -39.213 1.00 12.24 H new ATOM 0 HB3 LEU A 147 15.859 32.933 -38.792 1.00 12.24 H new ATOM 0 HG LEU A 147 17.933 31.327 -40.244 1.00 10.30 H new ATOM 0 HD11 LEU A 147 16.932 31.972 -42.399 1.00 75.04 H new ATOM 0 HD12 LEU A 147 15.872 30.877 -41.480 1.00 75.04 H new ATOM 0 HD13 LEU A 147 15.513 32.619 -41.542 1.00 75.04 H new ATOM 0 HD21 LEU A 147 18.438 33.532 -41.221 1.00 34.23 H new ATOM 0 HD22 LEU A 147 17.078 34.239 -40.318 1.00 34.23 H new ATOM 0 HD23 LEU A 147 18.477 33.574 -39.443 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 66.725 13.319 -81.364 1.00 21.13 N ATOM 1282 CA HIS B 518 65.726 13.543 -80.325 1.00 35.22 C ATOM 1283 C HIS B 518 66.392 13.750 -78.967 1.00 35.13 C ATOM 1284 O HIS B 518 67.182 12.920 -78.520 1.00 13.03 O ATOM 1285 CB HIS B 518 64.758 12.362 -80.256 1.00 50.40 C ATOM 1286 CG HIS B 518 63.540 12.632 -79.427 1.00 11.31 C ATOM 1287 ND1 HIS B 518 62.713 13.716 -79.635 1.00 51.44 N ATOM 1288 CD2 HIS B 518 63.010 11.951 -78.384 1.00 52.22 C ATOM 1289 CE1 HIS B 518 61.729 13.691 -78.756 1.00 51.12 C ATOM 1290 NE2 HIS B 518 61.885 12.630 -77.985 1.00 12.11 N ATOM 0 HA HIS B 518 65.169 14.445 -80.579 1.00 35.22 H new ATOM 0 HB2 HIS B 518 64.448 12.098 -81.267 1.00 50.40 H new ATOM 0 HB3 HIS B 518 65.281 11.498 -79.847 1.00 50.40 H new ATOM 0 HD2 HIS B 518 63.399 11.043 -77.947 1.00 52.22 H new ATOM 0 HE1 HIS B 518 60.931 14.415 -78.680 1.00 51.12 H new ATOM 0 HE2 HIS B 518 61.270 12.359 -77.218 1.00 12.11 H new ATOM 1299 N MET B 519 66.065 14.863 -78.317 1.00 20.22 N ATOM 1300 CA MET B 519 66.631 15.177 -77.011 1.00 45.23 C ATOM 1301 C MET B 519 65.612 14.931 -75.904 1.00 50.30 C ATOM 1302 O MET B 519 64.417 14.791 -76.166 1.00 40.52 O ATOM 1303 CB MET B 519 67.101 16.633 -76.973 1.00 3.13 C ATOM 1304 CG MET B 519 68.508 16.832 -77.516 1.00 31.34 C ATOM 1305 SD MET B 519 68.535 17.080 -79.302 1.00 5.43 S ATOM 1306 CE MET B 519 70.272 16.822 -79.653 1.00 34.34 C ATOM 0 H MET B 519 65.412 15.561 -78.673 1.00 20.22 H new ATOM 0 HA MET B 519 67.486 14.522 -76.846 1.00 45.23 H new ATOM 0 HB2 MET B 519 66.408 17.245 -77.550 1.00 3.13 H new ATOM 0 HB3 MET B 519 67.063 16.992 -75.944 1.00 3.13 H new ATOM 0 HG2 MET B 519 68.964 17.693 -77.027 1.00 31.34 H new ATOM 0 HG3 MET B 519 69.117 15.963 -77.265 1.00 31.34 H new ATOM 0 HE1 MET B 519 70.449 16.942 -80.722 1.00 34.34 H new ATOM 0 HE2 MET B 519 70.867 17.551 -79.103 1.00 34.34 H new ATOM 0 HE3 MET B 519 70.559 15.816 -79.348 1.00 34.34 H new ATOM 1316 N ASP B 520 66.092 14.880 -74.666 1.00 74.23 N ATOM 1317 CA ASP B 520 65.222 14.650 -73.518 1.00 31.44 C ATOM 1318 C ASP B 520 64.091 15.674 -73.480 1.00 44.32 C ATOM 1319 O ASP B 520 64.166 16.741 -74.090 1.00 1.42 O ATOM 1320 CB ASP B 520 66.028 14.715 -72.220 1.00 25.13 C ATOM 1321 CG ASP B 520 66.611 13.369 -71.833 1.00 32.35 C ATOM 1322 OD1 ASP B 520 65.840 12.495 -71.385 1.00 72.23 O ATOM 1323 OD2 ASP B 520 67.839 13.191 -71.977 1.00 3.02 O1- ATOM 0 H ASP B 520 67.078 14.995 -74.432 1.00 74.23 H new ATOM 0 HA ASP B 520 64.786 13.656 -73.617 1.00 31.44 H new ATOM 0 HB2 ASP B 520 66.835 15.439 -72.333 1.00 25.13 H new ATOM 0 HB3 ASP B 520 65.387 15.075 -71.415 1.00 25.13 H new ATOM 1328 N PRO B 521 63.017 15.343 -72.748 1.00 54.32 N ATOM 1329 CA PRO B 521 61.850 16.219 -72.614 1.00 73.43 C ATOM 1330 C PRO B 521 62.151 17.464 -71.787 1.00 14.40 C ATOM 1331 O PRO B 521 61.773 18.576 -72.158 1.00 3.11 O ATOM 1332 CB PRO B 521 60.824 15.337 -71.898 1.00 34.25 C ATOM 1333 CG PRO B 521 61.639 14.337 -71.152 1.00 74.43 C ATOM 1334 CD PRO B 521 62.860 14.087 -71.995 1.00 2.40 C ATOM 0 HA PRO B 521 61.510 16.594 -73.579 1.00 73.43 H new ATOM 0 HB2 PRO B 521 60.201 15.923 -71.222 1.00 34.25 H new ATOM 0 HB3 PRO B 521 60.155 14.852 -72.608 1.00 34.25 H new ATOM 0 HG2 PRO B 521 61.915 14.715 -70.167 1.00 74.43 H new ATOM 0 HG3 PRO B 521 61.078 13.416 -70.994 1.00 74.43 H new ATOM 0 HD2 PRO B 521 63.735 13.874 -71.381 1.00 2.40 H new ATOM 0 HD3 PRO B 521 62.722 13.234 -72.660 1.00 2.40 H new ATOM 1342 N LEU B 522 62.837 17.272 -70.665 1.00 1.11 N ATOM 1343 CA LEU B 522 63.191 18.380 -69.785 1.00 75.22 C ATOM 1344 C LEU B 522 64.497 18.097 -69.051 1.00 30.33 C ATOM 1345 O LEU B 522 65.109 17.043 -69.232 1.00 4.43 O ATOM 1346 CB LEU B 522 62.070 18.633 -68.775 1.00 22.31 C ATOM 1347 CG LEU B 522 61.585 17.413 -67.990 1.00 23.42 C ATOM 1348 CD1 LEU B 522 61.813 17.612 -66.500 1.00 31.54 C ATOM 1349 CD2 LEU B 522 60.115 17.145 -68.276 1.00 64.43 C ATOM 0 H LEU B 522 63.159 16.359 -70.344 1.00 1.11 H new ATOM 0 HA LEU B 522 63.327 19.270 -70.399 1.00 75.22 H new ATOM 0 HB2 LEU B 522 62.412 19.385 -68.064 1.00 22.31 H new ATOM 0 HB3 LEU B 522 61.219 19.060 -69.306 1.00 22.31 H new ATOM 0 HG LEU B 522 62.161 16.545 -68.312 1.00 23.42 H new ATOM 0 HD11 LEU B 522 61.462 16.734 -65.958 1.00 31.54 H new ATOM 0 HD12 LEU B 522 62.877 17.754 -66.311 1.00 31.54 H new ATOM 0 HD13 LEU B 522 61.264 18.491 -66.162 1.00 31.54 H new ATOM 0 HD21 LEU B 522 59.787 16.274 -67.709 1.00 64.43 H new ATOM 0 HD22 LEU B 522 59.523 18.012 -67.983 1.00 64.43 H new ATOM 0 HD23 LEU B 522 59.980 16.957 -69.341 1.00 64.43 H new ATOM 1361 N THR B 523 64.920 19.042 -68.218 1.00 53.05 N ATOM 1362 CA THR B 523 66.153 18.895 -67.456 1.00 40.25 C ATOM 1363 C THR B 523 65.895 19.035 -65.960 1.00 12.10 C ATOM 1364 O THR B 523 65.822 20.139 -65.420 1.00 20.21 O ATOM 1365 CB THR B 523 67.206 19.935 -67.884 1.00 32.04 C ATOM 1366 OG1 THR B 523 68.303 19.930 -66.962 1.00 63.35 O ATOM 1367 CG2 THR B 523 66.597 21.327 -67.946 1.00 73.11 C ATOM 0 H THR B 523 64.426 19.919 -68.054 1.00 53.05 H new ATOM 0 HA THR B 523 66.535 17.896 -67.664 1.00 40.25 H new ATOM 0 HB THR B 523 67.565 19.668 -68.878 1.00 32.04 H new ATOM 0 HG1 THR B 523 68.969 20.593 -67.242 1.00 63.35 H new ATOM 0 HG21 THR B 523 67.359 22.044 -68.250 1.00 73.11 H new ATOM 0 HG22 THR B 523 65.781 21.335 -68.669 1.00 73.11 H new ATOM 0 HG23 THR B 523 66.213 21.600 -66.963 1.00 73.11 H new ATOM 1375 N PRO B 524 65.753 17.892 -65.274 1.00 61.23 N ATOM 1376 CA PRO B 524 65.502 17.862 -63.829 1.00 21.31 C ATOM 1377 C PRO B 524 66.714 18.312 -63.020 1.00 11.10 C ATOM 1378 O PRO B 524 67.851 18.219 -63.484 1.00 65.14 O ATOM 1379 CB PRO B 524 65.193 16.388 -63.553 1.00 71.15 C ATOM 1380 CG PRO B 524 65.883 15.645 -64.646 1.00 14.31 C ATOM 1381 CD PRO B 524 65.828 16.541 -65.853 1.00 21.34 C ATOM 0 HA PRO B 524 64.700 18.541 -63.541 1.00 21.31 H new ATOM 0 HB2 PRO B 524 65.561 16.083 -62.573 1.00 71.15 H new ATOM 0 HB3 PRO B 524 64.119 16.200 -63.563 1.00 71.15 H new ATOM 0 HG2 PRO B 524 66.914 15.419 -64.374 1.00 14.31 H new ATOM 0 HG3 PRO B 524 65.389 14.693 -64.843 1.00 14.31 H new ATOM 0 HD2 PRO B 524 66.710 16.422 -66.482 1.00 21.34 H new ATOM 0 HD3 PRO B 524 64.961 16.322 -66.476 1.00 21.34 H new ATOM 1389 N ASP B 525 66.463 18.800 -61.810 1.00 31.30 N ATOM 1390 CA ASP B 525 67.534 19.263 -60.936 1.00 51.41 C ATOM 1391 C ASP B 525 67.753 18.290 -59.782 1.00 61.44 C ATOM 1392 O ASP B 525 66.868 17.507 -59.441 1.00 70.22 O ATOM 1393 CB ASP B 525 67.211 20.655 -60.391 1.00 53.22 C ATOM 1394 CG ASP B 525 67.588 21.758 -61.359 1.00 74.23 C ATOM 1395 OD1 ASP B 525 68.618 22.425 -61.127 1.00 15.03 O ATOM 1396 OD2 ASP B 525 66.854 21.956 -62.349 1.00 4.21 O1- ATOM 0 H ASP B 525 65.528 18.885 -61.412 1.00 31.30 H new ATOM 0 HA ASP B 525 68.451 19.315 -61.523 1.00 51.41 H new ATOM 0 HB2 ASP B 525 66.145 20.717 -60.171 1.00 53.22 H new ATOM 0 HB3 ASP B 525 67.740 20.805 -59.450 1.00 53.22 H new ATOM 1401 N ALA B 526 68.941 18.343 -59.186 1.00 64.40 N ATOM 1402 CA ALA B 526 69.276 17.468 -58.070 1.00 74.21 C ATOM 1403 C ALA B 526 69.874 18.258 -56.913 1.00 60.43 C ATOM 1404 O ALA B 526 70.684 19.163 -57.118 1.00 3.51 O ATOM 1405 CB ALA B 526 70.241 16.382 -58.524 1.00 22.02 C ATOM 0 H ALA B 526 69.687 18.983 -59.458 1.00 64.40 H new ATOM 0 HA ALA B 526 68.357 17.000 -57.718 1.00 74.21 H new ATOM 0 HB1 ALA B 526 70.483 15.735 -57.681 1.00 22.02 H new ATOM 0 HB2 ALA B 526 69.778 15.791 -59.314 1.00 22.02 H new ATOM 0 HB3 ALA B 526 71.154 16.842 -58.903 1.00 22.02 H new ATOM 1411 N SER B 527 69.469 17.912 -55.695 1.00 22.23 N ATOM 1412 CA SER B 527 69.962 18.593 -54.502 1.00 10.42 C ATOM 1413 C SER B 527 71.203 17.897 -53.954 1.00 55.23 C ATOM 1414 O SER B 527 71.643 16.880 -54.486 1.00 74.31 O ATOM 1415 CB SER B 527 68.873 18.641 -53.430 1.00 54.03 C ATOM 1416 OG SER B 527 68.987 19.810 -52.637 1.00 33.11 O ATOM 0 H SER B 527 68.801 17.164 -55.508 1.00 22.23 H new ATOM 0 HA SER B 527 70.232 19.612 -54.780 1.00 10.42 H new ATOM 0 HB2 SER B 527 67.891 18.613 -53.903 1.00 54.03 H new ATOM 0 HB3 SER B 527 68.945 17.758 -52.794 1.00 54.03 H new ATOM 0 HG SER B 527 68.116 20.256 -52.585 1.00 33.11 H new ATOM 1422 N GLU B 528 71.762 18.455 -52.885 1.00 34.44 N ATOM 1423 CA GLU B 528 72.954 17.889 -52.263 1.00 70.03 C ATOM 1424 C GLU B 528 73.036 18.279 -50.790 1.00 45.40 C ATOM 1425 O GLU B 528 72.985 19.460 -50.446 1.00 23.21 O ATOM 1426 CB GLU B 528 74.211 18.358 -52.997 1.00 24.51 C ATOM 1427 CG GLU B 528 75.277 17.282 -53.127 1.00 63.11 C ATOM 1428 CD GLU B 528 76.139 17.461 -54.362 1.00 25.14 C ATOM 1429 OE1 GLU B 528 77.283 17.940 -54.224 1.00 15.45 O ATOM 1430 OE2 GLU B 528 75.667 17.121 -55.467 1.00 52.05 O1- ATOM 0 H GLU B 528 71.409 19.298 -52.432 1.00 34.44 H new ATOM 0 HA GLU B 528 72.887 16.803 -52.330 1.00 70.03 H new ATOM 0 HB2 GLU B 528 73.933 18.704 -53.992 1.00 24.51 H new ATOM 0 HB3 GLU B 528 74.632 19.213 -52.469 1.00 24.51 H new ATOM 0 HG2 GLU B 528 75.911 17.295 -52.241 1.00 63.11 H new ATOM 0 HG3 GLU B 528 74.798 16.304 -53.162 1.00 63.11 H new ATOM 1437 N SER B 529 73.165 17.279 -49.925 1.00 24.10 N ATOM 1438 CA SER B 529 73.251 17.515 -48.489 1.00 74.23 C ATOM 1439 C SER B 529 72.118 18.423 -48.019 1.00 3.40 C ATOM 1440 O SER B 529 72.278 19.196 -47.075 1.00 61.24 O ATOM 1441 CB SER B 529 74.601 18.141 -48.134 1.00 63.34 C ATOM 1442 OG SER B 529 74.968 17.839 -46.798 1.00 34.34 O ATOM 0 H SER B 529 73.212 16.296 -50.194 1.00 24.10 H new ATOM 0 HA SER B 529 73.159 16.555 -47.982 1.00 74.23 H new ATOM 0 HB2 SER B 529 75.367 17.773 -48.817 1.00 63.34 H new ATOM 0 HB3 SER B 529 74.550 19.222 -48.265 1.00 63.34 H new ATOM 0 HG SER B 529 75.835 18.249 -46.596 1.00 34.34 H new ATOM 1448 N VAL B 530 70.972 18.322 -48.687 1.00 34.03 N ATOM 1449 CA VAL B 530 69.812 19.133 -48.338 1.00 72.15 C ATOM 1450 C VAL B 530 68.899 18.396 -47.366 1.00 13.35 C ATOM 1451 O VAL B 530 68.714 17.184 -47.470 1.00 62.34 O ATOM 1452 CB VAL B 530 69.003 19.522 -49.590 1.00 51.23 C ATOM 1453 CG1 VAL B 530 68.356 18.294 -50.211 1.00 75.24 C ATOM 1454 CG2 VAL B 530 67.955 20.569 -49.243 1.00 2.14 C ATOM 0 H VAL B 530 70.823 17.687 -49.472 1.00 34.03 H new ATOM 0 HA VAL B 530 70.190 20.038 -47.862 1.00 72.15 H new ATOM 0 HB VAL B 530 69.685 19.953 -50.323 1.00 51.23 H new ATOM 0 HG11 VAL B 530 67.789 18.589 -51.094 1.00 75.24 H new ATOM 0 HG12 VAL B 530 69.129 17.581 -50.498 1.00 75.24 H new ATOM 0 HG13 VAL B 530 67.685 17.831 -49.487 1.00 75.24 H new ATOM 0 HG21 VAL B 530 67.393 20.832 -50.139 1.00 2.14 H new ATOM 0 HG22 VAL B 530 67.274 20.168 -48.492 1.00 2.14 H new ATOM 0 HG23 VAL B 530 68.446 21.459 -48.849 1.00 2.14 H new ATOM 1464 N ASN B 531 68.330 19.135 -46.420 1.00 50.32 N ATOM 1465 CA ASN B 531 67.435 18.552 -45.428 1.00 54.32 C ATOM 1466 C ASN B 531 66.305 19.516 -45.080 1.00 34.52 C ATOM 1467 O ASN B 531 66.513 20.725 -44.994 1.00 34.23 O ATOM 1468 CB ASN B 531 68.213 18.182 -44.163 1.00 1.55 C ATOM 1469 CG ASN B 531 69.332 17.197 -44.441 1.00 54.25 C ATOM 1470 OD1 ASN B 531 69.097 15.996 -44.573 1.00 63.14 O ATOM 1471 ND2 ASN B 531 70.557 17.703 -44.528 1.00 21.12 N ATOM 0 H ASN B 531 68.473 20.140 -46.319 1.00 50.32 H new ATOM 0 HA ASN B 531 66.999 17.649 -45.856 1.00 54.32 H new ATOM 0 HB2 ASN B 531 68.630 19.086 -43.719 1.00 1.55 H new ATOM 0 HB3 ASN B 531 67.529 17.753 -43.431 1.00 1.55 H new ATOM 0 HD21 ASN B 531 71.351 17.089 -44.711 1.00 21.12 H new ATOM 0 HD22 ASN B 531 70.704 18.706 -44.412 1.00 21.12 H new ATOM 1478 N ASN B 532 65.109 18.971 -44.880 1.00 22.22 N ATOM 1479 CA ASN B 532 63.946 19.783 -44.541 1.00 1.42 C ATOM 1480 C ASN B 532 62.766 18.902 -44.139 1.00 44.13 C ATOM 1481 O ASN B 532 62.457 17.918 -44.811 1.00 32.50 O ATOM 1482 CB ASN B 532 63.554 20.671 -45.725 1.00 52.44 C ATOM 1483 CG ASN B 532 63.341 19.875 -46.998 1.00 72.53 C ATOM 1484 OD1 ASN B 532 64.260 19.223 -47.497 1.00 72.51 O ATOM 1485 ND2 ASN B 532 62.126 19.924 -47.530 1.00 42.51 N ATOM 0 H ASN B 532 64.920 17.971 -44.947 1.00 22.22 H new ATOM 0 HA ASN B 532 64.210 20.415 -43.693 1.00 1.42 H new ATOM 0 HB2 ASN B 532 62.641 21.214 -45.482 1.00 52.44 H new ATOM 0 HB3 ASN B 532 64.333 21.415 -45.891 1.00 52.44 H new ATOM 0 HD21 ASN B 532 61.923 19.408 -48.386 1.00 42.51 H new ATOM 0 HD22 ASN B 532 61.395 20.477 -47.082 1.00 42.51 H new ATOM 1492 N ILE B 533 62.112 19.265 -43.042 1.00 4.31 N ATOM 1493 CA ILE B 533 60.965 18.509 -42.552 1.00 60.32 C ATOM 1494 C ILE B 533 59.850 19.441 -42.088 1.00 54.13 C ATOM 1495 O ILE B 533 60.108 20.551 -41.622 1.00 12.31 O ATOM 1496 CB ILE B 533 61.360 17.580 -41.389 1.00 51.21 C ATOM 1497 CG1 ILE B 533 61.947 18.393 -40.234 1.00 70.53 C ATOM 1498 CG2 ILE B 533 62.353 16.530 -41.863 1.00 41.24 C ATOM 1499 CD1 ILE B 533 63.438 18.621 -40.351 1.00 11.24 C ATOM 0 H ILE B 533 62.356 20.077 -42.475 1.00 4.31 H new ATOM 0 HA ILE B 533 60.606 17.904 -43.384 1.00 60.32 H new ATOM 0 HB ILE B 533 60.465 17.070 -41.032 1.00 51.21 H new ATOM 0 HG12 ILE B 533 61.443 19.358 -40.187 1.00 70.53 H new ATOM 0 HG13 ILE B 533 61.739 17.879 -39.296 1.00 70.53 H new ATOM 0 HG21 ILE B 533 62.622 15.881 -41.029 1.00 41.24 H new ATOM 0 HG22 ILE B 533 61.901 15.934 -42.656 1.00 41.24 H new ATOM 0 HG23 ILE B 533 63.248 17.022 -42.244 1.00 41.24 H new ATOM 0 HD11 ILE B 533 63.785 19.204 -39.498 1.00 11.24 H new ATOM 0 HD12 ILE B 533 63.953 17.660 -40.367 1.00 11.24 H new ATOM 0 HD13 ILE B 533 63.652 19.163 -41.272 1.00 11.24 H new ATOM 1511 N LEU B 534 58.612 18.981 -42.218 1.00 4.44 N ATOM 1512 CA LEU B 534 57.455 19.772 -41.811 1.00 61.11 C ATOM 1513 C LEU B 534 57.622 20.288 -40.386 1.00 32.54 C ATOM 1514 O LEU B 534 58.531 19.871 -39.666 1.00 62.31 O ATOM 1515 CB LEU B 534 56.178 18.936 -41.916 1.00 2.04 C ATOM 1516 CG LEU B 534 55.979 17.877 -40.831 1.00 60.34 C ATOM 1517 CD1 LEU B 534 57.270 17.114 -40.585 1.00 34.13 C ATOM 1518 CD2 LEU B 534 55.484 18.520 -39.544 1.00 61.30 C ATOM 0 H LEU B 534 58.382 18.064 -42.602 1.00 4.44 H new ATOM 0 HA LEU B 534 57.378 20.628 -42.481 1.00 61.11 H new ATOM 0 HB2 LEU B 534 55.323 19.611 -41.898 1.00 2.04 H new ATOM 0 HB3 LEU B 534 56.171 18.439 -42.886 1.00 2.04 H new ATOM 0 HG LEU B 534 55.224 17.170 -41.175 1.00 60.34 H new ATOM 0 HD11 LEU B 534 57.108 16.365 -39.810 1.00 34.13 H new ATOM 0 HD12 LEU B 534 57.583 16.621 -41.506 1.00 34.13 H new ATOM 0 HD13 LEU B 534 58.047 17.807 -40.263 1.00 34.13 H new ATOM 0 HD21 LEU B 534 55.348 17.752 -38.783 1.00 61.30 H new ATOM 0 HD22 LEU B 534 56.216 19.249 -39.197 1.00 61.30 H new ATOM 0 HD23 LEU B 534 54.533 19.020 -39.729 1.00 61.30 H new ATOM 1530 N LYS B 535 56.741 21.197 -39.983 1.00 14.02 N ATOM 1531 CA LYS B 535 56.788 21.769 -38.642 1.00 64.31 C ATOM 1532 C LYS B 535 55.428 21.670 -37.961 1.00 72.41 C ATOM 1533 O LYS B 535 54.602 22.575 -38.070 1.00 14.31 O ATOM 1534 CB LYS B 535 57.235 23.231 -38.705 1.00 54.24 C ATOM 1535 CG LYS B 535 58.691 23.407 -39.100 1.00 50.42 C ATOM 1536 CD LYS B 535 59.177 24.819 -38.824 1.00 13.13 C ATOM 1537 CE LYS B 535 58.810 25.766 -39.957 1.00 52.33 C ATOM 1538 NZ LYS B 535 59.774 26.897 -40.067 1.00 62.51 N1+ ATOM 0 H LYS B 535 55.985 21.554 -40.567 1.00 14.02 H new ATOM 0 HA LYS B 535 57.510 21.200 -38.056 1.00 64.31 H new ATOM 0 HB2 LYS B 535 56.607 23.763 -39.419 1.00 54.24 H new ATOM 0 HB3 LYS B 535 57.073 23.694 -37.731 1.00 54.24 H new ATOM 0 HG2 LYS B 535 59.307 22.695 -38.550 1.00 50.42 H new ATOM 0 HG3 LYS B 535 58.811 23.180 -40.159 1.00 50.42 H new ATOM 0 HD2 LYS B 535 58.742 25.179 -37.892 1.00 13.13 H new ATOM 0 HD3 LYS B 535 60.259 24.813 -38.689 1.00 13.13 H new ATOM 0 HE2 LYS B 535 58.787 25.216 -40.898 1.00 52.33 H new ATOM 0 HE3 LYS B 535 57.807 26.158 -39.792 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 59.490 27.520 -40.850 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 59.778 27.437 -39.178 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 60.727 26.524 -40.250 1.00 62.51 H new ATOM 1552 N GLN B 536 55.203 20.564 -37.256 1.00 24.12 N ATOM 1553 CA GLN B 536 53.942 20.350 -36.557 1.00 22.34 C ATOM 1554 C GLN B 536 54.171 19.632 -35.230 1.00 62.32 C ATOM 1555 O GLN B 536 55.310 19.371 -34.843 1.00 50.41 O ATOM 1556 CB GLN B 536 52.982 19.539 -37.428 1.00 51.31 C ATOM 1557 CG GLN B 536 52.485 20.295 -38.651 1.00 35.41 C ATOM 1558 CD GLN B 536 51.407 21.304 -38.315 1.00 30.51 C ATOM 1559 OE1 GLN B 536 50.279 20.938 -37.983 1.00 45.21 O ATOM 1560 NE2 GLN B 536 51.748 22.586 -38.397 1.00 61.41 N ATOM 0 H GLN B 536 55.877 19.805 -37.155 1.00 24.12 H new ATOM 0 HA GLN B 536 53.500 21.325 -36.352 1.00 22.34 H new ATOM 0 HB2 GLN B 536 53.482 18.627 -37.753 1.00 51.31 H new ATOM 0 HB3 GLN B 536 52.126 19.236 -36.826 1.00 51.31 H new ATOM 0 HG2 GLN B 536 53.324 20.808 -39.122 1.00 35.41 H new ATOM 0 HG3 GLN B 536 52.097 19.584 -39.380 1.00 35.41 H new ATOM 0 HE21 GLN B 536 52.694 22.845 -38.676 1.00 61.41 H new ATOM 0 HE22 GLN B 536 51.064 23.311 -38.181 1.00 61.41 H new ATOM 1569 N SER B 537 53.081 19.317 -34.538 1.00 14.31 N ATOM 1570 CA SER B 537 53.165 18.633 -33.252 1.00 14.23 C ATOM 1571 C SER B 537 53.903 17.305 -33.390 1.00 74.01 C ATOM 1572 O SER B 537 54.006 16.748 -34.482 1.00 11.11 O ATOM 1573 CB SER B 537 51.763 18.393 -32.687 1.00 13.52 C ATOM 1574 OG SER B 537 51.154 19.614 -32.301 1.00 64.54 O ATOM 0 H SER B 537 52.131 19.524 -34.845 1.00 14.31 H new ATOM 0 HA SER B 537 53.723 19.269 -32.565 1.00 14.23 H new ATOM 0 HB2 SER B 537 51.146 17.895 -33.435 1.00 13.52 H new ATOM 0 HB3 SER B 537 51.823 17.725 -31.828 1.00 13.52 H new ATOM 0 HG SER B 537 50.259 19.435 -31.945 1.00 64.54 H new ATOM 1580 N GLY B 538 54.416 16.801 -32.271 1.00 40.34 N ATOM 1581 CA GLY B 538 55.139 15.543 -32.287 1.00 13.30 C ATOM 1582 C GLY B 538 54.214 14.343 -32.273 1.00 44.23 C ATOM 1583 O GLY B 538 54.269 13.519 -31.360 1.00 4.52 O ATOM 0 H GLY B 538 54.344 17.242 -31.354 1.00 40.34 H new ATOM 0 HA2 GLY B 538 55.770 15.501 -33.175 1.00 13.30 H new ATOM 0 HA3 GLY B 538 55.802 15.497 -31.423 1.00 13.30 H new ATOM 1587 N ALA B 539 53.360 14.244 -33.286 1.00 15.34 N ATOM 1588 CA ALA B 539 52.419 13.135 -33.387 1.00 61.14 C ATOM 1589 C ALA B 539 51.643 13.191 -34.697 1.00 52.01 C ATOM 1590 O ALA B 539 51.717 14.176 -35.432 1.00 53.15 O ATOM 1591 CB ALA B 539 51.461 13.147 -32.204 1.00 63.32 C ATOM 0 H ALA B 539 53.300 14.919 -34.049 1.00 15.34 H new ATOM 0 HA ALA B 539 52.988 12.206 -33.372 1.00 61.14 H new ATOM 0 HB1 ALA B 539 50.764 12.314 -32.292 1.00 63.32 H new ATOM 0 HB2 ALA B 539 52.026 13.051 -31.277 1.00 63.32 H new ATOM 0 HB3 ALA B 539 50.906 14.085 -32.195 1.00 63.32 H new ATOM 1597 N TRP B 540 50.900 12.128 -34.986 1.00 64.23 N ATOM 1598 CA TRP B 540 50.111 12.057 -36.209 1.00 74.22 C ATOM 1599 C TRP B 540 48.806 11.303 -35.973 1.00 14.34 C ATOM 1600 O TRP B 540 48.812 10.161 -35.514 1.00 54.13 O ATOM 1601 CB TRP B 540 50.913 11.375 -37.319 1.00 74.04 C ATOM 1602 CG TRP B 540 52.327 11.862 -37.413 1.00 15.41 C ATOM 1603 CD1 TRP B 540 53.384 11.466 -36.644 1.00 11.20 C ATOM 1604 CD2 TRP B 540 52.839 12.838 -38.329 1.00 44.12 C ATOM 1605 NE1 TRP B 540 54.521 12.136 -37.025 1.00 30.21 N ATOM 1606 CE2 TRP B 540 54.213 12.983 -38.057 1.00 22.41 C ATOM 1607 CE3 TRP B 540 52.270 13.602 -39.350 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 55.024 13.861 -38.771 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 53.076 14.474 -40.059 1.00 24.52 C ATOM 1610 CH2 TRP B 540 54.440 14.597 -39.767 1.00 22.11 C ATOM 0 H TRP B 540 50.828 11.304 -34.389 1.00 64.23 H new ATOM 0 HA TRP B 540 49.871 13.075 -36.516 1.00 74.22 H new ATOM 0 HB2 TRP B 540 50.917 10.299 -37.146 1.00 74.04 H new ATOM 0 HB3 TRP B 540 50.414 11.542 -38.274 1.00 74.04 H new ATOM 0 HD1 TRP B 540 53.333 10.733 -35.852 1.00 11.20 H new ATOM 0 HE1 TRP B 540 55.445 12.022 -36.607 1.00 30.21 H new ATOM 0 HE3 TRP B 540 51.219 13.513 -39.582 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 56.076 13.958 -38.547 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 52.646 15.070 -40.851 1.00 24.52 H new ATOM 0 HH2 TRP B 540 55.043 15.286 -40.339 1.00 22.11 H new ATOM 1621 N SER B 541 47.689 11.950 -36.290 1.00 34.54 N ATOM 1622 CA SER B 541 46.376 11.342 -36.108 1.00 2.20 C ATOM 1623 C SER B 541 45.270 12.288 -36.566 1.00 32.22 C ATOM 1624 O SER B 541 45.486 13.491 -36.705 1.00 42.44 O ATOM 1625 CB SER B 541 46.164 10.964 -34.641 1.00 3.02 C ATOM 1626 OG SER B 541 46.332 9.571 -34.443 1.00 54.44 O ATOM 0 H SER B 541 47.667 12.895 -36.674 1.00 34.54 H new ATOM 0 HA SER B 541 46.334 10.440 -36.718 1.00 2.20 H new ATOM 0 HB2 SER B 541 46.870 11.511 -34.016 1.00 3.02 H new ATOM 0 HB3 SER B 541 45.163 11.261 -34.327 1.00 3.02 H new ATOM 0 HG SER B 541 47.221 9.301 -34.755 1.00 54.44 H new ATOM 1632 N GLY B 542 44.085 11.734 -36.798 1.00 4.53 N ATOM 1633 CA GLY B 542 42.962 12.542 -37.238 1.00 64.24 C ATOM 1634 C GLY B 542 41.631 11.989 -36.769 1.00 5.44 C ATOM 1635 O GLY B 542 40.624 12.099 -37.467 1.00 43.23 O ATOM 0 H GLY B 542 43.882 10.740 -36.689 1.00 4.53 H new ATOM 0 HA2 GLY B 542 43.081 13.559 -36.864 1.00 64.24 H new ATOM 0 HA3 GLY B 542 42.965 12.600 -38.326 1.00 64.24 H new ATOM 1639 N ASP B 543 41.625 11.392 -35.582 1.00 11.14 N ATOM 1640 CA ASP B 543 40.408 10.820 -35.019 1.00 52.52 C ATOM 1641 C ASP B 543 39.659 11.851 -34.181 1.00 13.13 C ATOM 1642 O ASP B 543 38.428 11.863 -34.147 1.00 20.02 O ATOM 1643 CB ASP B 543 40.742 9.596 -34.164 1.00 25.25 C ATOM 1644 CG ASP B 543 41.962 9.815 -33.292 1.00 14.33 C ATOM 1645 OD1 ASP B 543 43.035 9.268 -33.624 1.00 4.03 O ATOM 1646 OD2 ASP B 543 41.845 10.534 -32.278 1.00 51.20 O1- ATOM 0 H ASP B 543 42.450 11.292 -34.991 1.00 11.14 H new ATOM 0 HA ASP B 543 39.766 10.513 -35.844 1.00 52.52 H new ATOM 0 HB2 ASP B 543 39.887 9.353 -33.533 1.00 25.25 H new ATOM 0 HB3 ASP B 543 40.913 8.738 -34.814 1.00 25.25 H new ATOM 1651 N ASP B 544 40.410 12.715 -33.505 1.00 15.42 N ATOM 1652 CA ASP B 544 39.817 13.750 -32.667 1.00 51.14 C ATOM 1653 C ASP B 544 38.658 14.434 -33.386 1.00 4.23 C ATOM 1654 O ASP B 544 37.690 14.864 -32.757 1.00 2.42 O ATOM 1655 CB ASP B 544 40.873 14.786 -32.276 1.00 73.54 C ATOM 1656 CG ASP B 544 41.996 14.185 -31.454 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.960 14.320 -30.213 1.00 50.03 O ATOM 1658 OD2 ASP B 544 42.911 13.581 -32.052 1.00 63.43 O1- ATOM 0 H ASP B 544 41.430 12.718 -33.522 1.00 15.42 H new ATOM 0 HA ASP B 544 39.432 13.276 -31.764 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.288 15.236 -33.178 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.399 15.587 -31.708 1.00 73.54 H new ATOM 1663 N LYS B 545 38.762 14.533 -34.707 1.00 75.25 N ATOM 1664 CA LYS B 545 37.724 15.163 -35.512 1.00 24.24 C ATOM 1665 C LYS B 545 36.344 14.639 -35.130 1.00 33.21 C ATOM 1666 O LYS B 545 35.453 15.410 -34.771 1.00 50.14 O ATOM 1667 CB LYS B 545 37.982 14.913 -37.000 1.00 64.44 C ATOM 1668 CG LYS B 545 39.290 15.503 -37.498 1.00 54.23 C ATOM 1669 CD LYS B 545 39.354 17.002 -37.256 1.00 42.41 C ATOM 1670 CE LYS B 545 38.231 17.731 -37.978 1.00 62.41 C ATOM 1671 NZ LYS B 545 38.271 19.199 -37.726 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.557 14.184 -35.243 1.00 75.25 H new ATOM 0 HA LYS B 545 37.751 16.235 -35.319 1.00 24.24 H new ATOM 0 HB2 LYS B 545 37.984 13.839 -37.184 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.160 15.334 -37.578 1.00 64.44 H new ATOM 0 HG2 LYS B 545 40.125 15.016 -36.994 1.00 54.23 H new ATOM 0 HG3 LYS B 545 39.399 15.301 -38.563 1.00 54.23 H new ATOM 0 HD2 LYS B 545 39.291 17.202 -36.186 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.316 17.386 -37.596 1.00 42.41 H new ATOM 0 HE2 LYS B 545 38.306 17.544 -39.049 1.00 62.41 H new ATOM 0 HE3 LYS B 545 37.270 17.332 -37.652 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 37.490 19.660 -38.235 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 38.174 19.379 -36.706 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 39.177 19.584 -38.060 1.00 40.23 H new ATOM 1685 N LEU B 546 36.175 13.323 -35.206 1.00 71.42 N ATOM 1686 CA LEU B 546 34.903 12.695 -34.865 1.00 33.24 C ATOM 1687 C LEU B 546 34.878 12.277 -33.398 1.00 5.43 C ATOM 1688 O LEU B 546 33.829 12.302 -32.754 1.00 43.24 O ATOM 1689 CB LEU B 546 34.658 11.478 -35.759 1.00 40.40 C ATOM 1690 CG LEU B 546 35.738 10.396 -35.731 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.494 9.425 -34.588 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.786 9.657 -37.060 1.00 60.44 C ATOM 0 H LEU B 546 36.902 12.671 -35.500 1.00 71.42 H new ATOM 0 HA LEU B 546 34.110 13.424 -35.029 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.710 11.024 -35.469 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.545 11.824 -36.786 1.00 40.40 H new ATOM 0 HG LEU B 546 36.702 10.878 -35.570 1.00 10.12 H new ATOM 0 HD11 LEU B 546 36.273 8.663 -34.585 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.512 9.965 -33.642 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.522 8.949 -34.716 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.560 8.891 -37.022 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.821 9.189 -37.251 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.012 10.362 -37.860 1.00 60.44 H new ATOM 1704 N GLN B 547 36.038 11.894 -32.878 1.00 42.22 N ATOM 1705 CA GLN B 547 36.149 11.472 -31.486 1.00 10.14 C ATOM 1706 C GLN B 547 35.510 12.497 -30.554 1.00 64.45 C ATOM 1707 O GLN B 547 34.750 12.142 -29.653 1.00 15.25 O ATOM 1708 CB GLN B 547 37.617 11.268 -31.108 1.00 1.31 C ATOM 1709 CG GLN B 547 37.853 10.058 -30.219 1.00 14.25 C ATOM 1710 CD GLN B 547 39.224 10.068 -29.571 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.242 9.902 -30.244 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.258 10.263 -28.258 1.00 30.11 N ATOM 0 H GLN B 547 36.915 11.867 -33.398 1.00 42.22 H new ATOM 0 HA GLN B 547 35.618 10.526 -31.376 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.207 11.160 -32.018 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.980 12.160 -30.597 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.089 10.028 -29.443 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.742 9.150 -30.811 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.390 10.396 -27.740 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.152 10.280 -27.768 1.00 30.11 H new ATOM 1721 N LYS B 548 35.823 13.768 -30.778 1.00 13.42 N ATOM 1722 CA LYS B 548 35.279 14.846 -29.960 1.00 2.43 C ATOM 1723 C LYS B 548 33.765 14.716 -29.825 1.00 11.31 C ATOM 1724 O LYS B 548 33.227 14.741 -28.718 1.00 25.34 O ATOM 1725 CB LYS B 548 35.633 16.205 -30.567 1.00 44.51 C ATOM 1726 CG LYS B 548 35.283 16.321 -32.041 1.00 74.23 C ATOM 1727 CD LYS B 548 36.129 17.376 -32.733 1.00 50.13 C ATOM 1728 CE LYS B 548 35.949 18.744 -32.094 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.747 19.792 -32.788 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.451 14.078 -31.520 1.00 13.42 H new ATOM 0 HA LYS B 548 35.722 14.773 -28.967 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.111 16.987 -30.015 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.701 16.383 -30.440 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.431 15.357 -32.528 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.228 16.573 -32.147 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.179 17.088 -32.688 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.857 17.427 -33.787 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.894 19.018 -32.115 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.246 18.697 -31.046 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.596 20.709 -32.321 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.756 19.544 -32.746 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.447 19.856 -33.782 1.00 32.25 H new ATOM 1743 N TRP B 549 33.085 14.576 -30.957 1.00 35.00 N ATOM 1744 CA TRP B 549 31.633 14.441 -30.965 1.00 23.03 C ATOM 1745 C TRP B 549 31.195 13.226 -30.153 1.00 60.44 C ATOM 1746 O TRP B 549 30.460 13.355 -29.174 1.00 13.42 O ATOM 1747 CB TRP B 549 31.118 14.322 -32.401 1.00 1.00 C ATOM 1748 CG TRP B 549 31.512 15.479 -33.270 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.688 15.631 -33.949 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.730 16.644 -33.551 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.683 16.821 -34.636 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.493 17.460 -34.409 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.458 17.076 -33.165 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.025 18.683 -34.883 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.996 18.290 -33.636 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.776 19.082 -34.488 1.00 4.25 C ATOM 0 H TRP B 549 33.516 14.553 -31.881 1.00 35.00 H new ATOM 0 HA TRP B 549 31.208 15.334 -30.507 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.498 13.400 -32.841 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.031 14.243 -32.384 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.501 14.921 -33.946 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.442 17.172 -35.220 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.847 16.472 -32.510 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.626 19.295 -35.539 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.016 18.634 -33.342 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.385 20.025 -34.840 1.00 4.25 H new ATOM 1767 N VAL B 550 31.652 12.048 -30.566 1.00 65.43 N ATOM 1768 CA VAL B 550 31.308 10.811 -29.876 1.00 41.32 C ATOM 1769 C VAL B 550 31.595 10.917 -28.383 1.00 70.33 C ATOM 1770 O VAL B 550 30.711 10.706 -27.553 1.00 22.45 O ATOM 1771 CB VAL B 550 32.082 9.612 -30.453 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.697 8.329 -29.732 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.833 9.487 -31.948 1.00 22.45 C ATOM 0 H VAL B 550 32.261 11.925 -31.375 1.00 65.43 H new ATOM 0 HA VAL B 550 30.241 10.651 -30.027 1.00 41.32 H new ATOM 0 HB VAL B 550 33.147 9.782 -30.297 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.255 7.493 -30.154 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.931 8.423 -28.672 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.629 8.150 -29.853 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.388 8.634 -32.339 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.768 9.341 -32.129 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.164 10.396 -32.449 1.00 22.45 H new ATOM 1783 N ARG B 551 32.839 11.245 -28.047 1.00 22.31 N ATOM 1784 CA ARG B 551 33.244 11.378 -26.653 1.00 13.54 C ATOM 1785 C ARG B 551 32.224 12.194 -25.865 1.00 30.45 C ATOM 1786 O ARG B 551 31.891 11.860 -24.728 1.00 43.25 O ATOM 1787 CB ARG B 551 34.622 12.038 -26.561 1.00 20.34 C ATOM 1788 CG ARG B 551 35.429 11.594 -25.353 1.00 75.53 C ATOM 1789 CD ARG B 551 36.260 12.735 -24.788 1.00 51.12 C ATOM 1790 NE ARG B 551 36.860 12.391 -23.501 1.00 55.05 N ATOM 1791 CZ ARG B 551 37.731 13.168 -22.865 1.00 23.44 C ATOM 1792 NH1 ARG B 551 38.100 14.326 -23.394 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 38.233 12.786 -21.698 1.00 20.42 N ATOM 0 H ARG B 551 33.583 11.423 -28.721 1.00 22.31 H new ATOM 0 HA ARG B 551 33.297 10.379 -26.220 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.185 11.812 -27.467 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.496 13.120 -26.526 1.00 20.34 H new ATOM 0 HG2 ARG B 551 34.756 11.217 -24.583 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.084 10.770 -25.635 1.00 75.53 H new ATOM 0 HD2 ARG B 551 37.046 12.996 -25.496 1.00 51.12 H new ATOM 0 HD3 ARG B 551 35.631 13.618 -24.670 1.00 51.12 H new ATOM 0 HE ARG B 551 36.596 11.506 -23.067 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.715 14.623 -24.291 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.768 14.921 -22.904 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.951 11.896 -21.288 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.901 13.383 -21.210 1.00 20.42 H new ATOM 1807 N VAL B 552 31.730 13.265 -26.478 1.00 73.21 N ATOM 1808 CA VAL B 552 30.747 14.129 -25.836 1.00 53.54 C ATOM 1809 C VAL B 552 29.408 13.417 -25.681 1.00 31.11 C ATOM 1810 O VAL B 552 28.729 13.564 -24.664 1.00 31.43 O ATOM 1811 CB VAL B 552 30.536 15.430 -26.634 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.425 16.263 -26.012 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.831 16.224 -26.710 1.00 14.55 C ATOM 0 H VAL B 552 31.995 13.555 -27.419 1.00 73.21 H new ATOM 0 HA VAL B 552 31.140 14.377 -24.850 1.00 53.54 H new ATOM 0 HB VAL B 552 30.237 15.169 -27.649 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.290 17.178 -26.589 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.497 15.692 -26.015 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.691 16.517 -24.986 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.664 17.140 -27.277 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.163 16.476 -25.703 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.596 15.626 -27.205 1.00 14.55 H new ATOM 1823 N TYR B 553 29.034 12.645 -26.695 1.00 3.04 N ATOM 1824 CA TYR B 553 27.775 11.911 -26.672 1.00 51.43 C ATOM 1825 C TYR B 553 27.739 10.924 -25.510 1.00 23.41 C ATOM 1826 O TYR B 553 26.746 10.832 -24.788 1.00 65.22 O ATOM 1827 CB TYR B 553 27.570 11.168 -27.993 1.00 50.50 C ATOM 1828 CG TYR B 553 27.208 9.710 -27.818 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.900 9.328 -27.547 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.173 8.717 -27.923 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.565 7.997 -27.385 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.846 7.384 -27.764 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.541 7.029 -27.495 1.00 52.22 C ATOM 1834 OH TYR B 553 26.212 5.702 -27.335 1.00 2.33 O ATOM 0 H TYR B 553 29.585 12.511 -27.543 1.00 3.04 H new ATOM 0 HA TYR B 553 26.968 12.631 -26.538 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.782 11.664 -28.560 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.482 11.239 -28.585 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.133 10.083 -27.462 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.196 8.991 -28.132 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.544 7.716 -27.173 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.609 6.624 -27.850 1.00 34.42 H new ATOM 0 HH TYR B 553 25.286 5.558 -27.622 1.00 2.33 H new ATOM 1844 N LEU B 554 28.832 10.189 -25.334 1.00 55.44 N ATOM 1845 CA LEU B 554 28.929 9.208 -24.258 1.00 42.23 C ATOM 1846 C LEU B 554 29.233 9.887 -22.927 1.00 53.42 C ATOM 1847 O LEU B 554 28.870 9.383 -21.864 1.00 74.44 O ATOM 1848 CB LEU B 554 30.014 8.178 -24.577 1.00 44.44 C ATOM 1849 CG LEU B 554 31.361 8.741 -25.032 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.412 8.549 -23.951 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.804 8.082 -26.331 1.00 32.42 C ATOM 0 H LEU B 554 29.663 10.254 -25.922 1.00 55.44 H new ATOM 0 HA LEU B 554 27.968 8.701 -24.175 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.179 7.567 -23.689 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.639 7.514 -25.356 1.00 44.44 H new ATOM 0 HG LEU B 554 31.244 9.810 -25.211 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.364 8.956 -24.293 1.00 24.32 H new ATOM 0 HD12 LEU B 554 32.100 9.068 -23.044 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.527 7.486 -23.740 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.764 8.495 -26.640 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.903 7.007 -26.178 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.062 8.271 -27.107 1.00 32.42 H new ATOM 1863 N ASP B 555 29.898 11.035 -22.993 1.00 73.25 N ATOM 1864 CA ASP B 555 30.247 11.787 -21.794 1.00 31.31 C ATOM 1865 C ASP B 555 29.022 12.488 -21.216 1.00 23.23 C ATOM 1866 O ASP B 555 28.903 12.651 -20.001 1.00 34.14 O ATOM 1867 CB ASP B 555 31.336 12.813 -22.108 1.00 72.13 C ATOM 1868 CG ASP B 555 31.692 13.666 -20.907 1.00 53.31 C ATOM 1869 OD1 ASP B 555 31.542 13.178 -19.767 1.00 34.15 O ATOM 1870 OD2 ASP B 555 32.120 14.823 -21.105 1.00 21.01 O1- ATOM 0 H ASP B 555 30.206 11.465 -23.865 1.00 73.25 H new ATOM 0 HA ASP B 555 30.625 11.084 -21.052 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.228 12.295 -22.459 1.00 72.13 H new ATOM 0 HB3 ASP B 555 31.001 13.457 -22.921 1.00 72.13 H new ATOM 1875 N ARG B 556 28.114 12.902 -22.093 1.00 10.54 N ATOM 1876 CA ARG B 556 26.899 13.588 -21.670 1.00 54.44 C ATOM 1877 C ARG B 556 25.776 12.591 -21.405 1.00 72.41 C ATOM 1878 O ARG B 556 24.930 12.808 -20.539 1.00 3.24 O ATOM 1879 CB ARG B 556 26.460 14.596 -22.734 1.00 35.13 C ATOM 1880 CG ARG B 556 26.032 13.953 -24.043 1.00 22.30 C ATOM 1881 CD ARG B 556 24.534 13.691 -24.071 1.00 71.10 C ATOM 1882 NE ARG B 556 24.201 12.500 -24.848 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.011 12.291 -25.399 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.046 13.189 -25.260 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.784 11.182 -26.091 1.00 21.52 N ATOM 0 H ARG B 556 28.197 12.774 -23.102 1.00 10.54 H new ATOM 0 HA ARG B 556 27.116 14.119 -20.743 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.633 15.188 -22.342 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.281 15.286 -22.929 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.305 14.602 -24.875 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.569 13.015 -24.182 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.168 13.573 -23.051 1.00 71.10 H new ATOM 0 HD3 ARG B 556 24.023 14.555 -24.495 1.00 71.10 H new ATOM 0 HE ARG B 556 24.922 11.790 -24.974 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.217 14.043 -24.729 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.133 13.026 -25.684 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.524 10.489 -26.200 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.869 11.023 -26.514 1.00 21.52 H new ATOM 1899 N GLY B 557 25.774 11.496 -22.159 1.00 54.40 N ATOM 1900 CA GLY B 557 24.750 10.481 -21.991 1.00 51.20 C ATOM 1901 C GLY B 557 24.681 9.956 -20.570 1.00 73.35 C ATOM 1902 O GLY B 557 23.763 10.291 -19.822 1.00 64.24 O ATOM 0 H GLY B 557 26.463 11.294 -22.883 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.782 10.897 -22.269 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.948 9.653 -22.672 1.00 51.20 H new ATOM 1906 N GLN B 558 25.653 9.130 -20.198 1.00 30.44 N ATOM 1907 CA GLN B 558 25.698 8.556 -18.859 1.00 71.33 C ATOM 1908 C GLN B 558 27.116 8.591 -18.298 1.00 54.22 C ATOM 1909 O GLN B 558 27.339 9.043 -17.176 1.00 65.12 O ATOM 1910 CB GLN B 558 25.180 7.118 -18.880 1.00 32.20 C ATOM 1911 CG GLN B 558 25.777 6.272 -19.994 1.00 10.50 C ATOM 1912 CD GLN B 558 25.098 4.923 -20.130 1.00 44.43 C ATOM 1913 OE1 GLN B 558 25.652 3.895 -19.741 1.00 32.15 O ATOM 1914 NE2 GLN B 558 23.893 4.921 -20.686 1.00 2.10 N ATOM 0 H GLN B 558 26.420 8.843 -20.806 1.00 30.44 H new ATOM 0 HA GLN B 558 25.057 9.156 -18.213 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.399 6.648 -17.921 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.095 7.133 -18.988 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.697 6.812 -20.938 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.839 6.122 -19.802 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.472 5.798 -20.994 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.388 4.043 -20.805 1.00 2.10 H new ATOM 1923 N GLU B 559 28.071 8.110 -19.088 1.00 54.14 N ATOM 1924 CA GLU B 559 29.468 8.084 -18.669 1.00 64.14 C ATOM 1925 C GLU B 559 30.368 7.612 -19.806 1.00 45.44 C ATOM 1926 O GLU B 559 29.889 7.213 -20.867 1.00 54.24 O ATOM 1927 CB GLU B 559 29.642 7.171 -17.453 1.00 42.30 C ATOM 1928 CG GLU B 559 29.564 5.692 -17.787 1.00 15.30 C ATOM 1929 CD GLU B 559 29.687 4.809 -16.560 1.00 15.40 C ATOM 1930 OE1 GLU B 559 30.826 4.432 -16.213 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.644 4.496 -15.948 1.00 61.43 O1- ATOM 0 H GLU B 559 27.903 7.733 -20.021 1.00 54.14 H new ATOM 0 HA GLU B 559 29.758 9.099 -18.397 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.605 7.379 -16.988 1.00 42.30 H new ATOM 0 HB3 GLU B 559 28.874 7.410 -16.717 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.617 5.485 -18.285 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.356 5.440 -18.492 1.00 15.30 H new ATOM 1938 N ALA B 560 31.677 7.662 -19.576 1.00 3.04 N ATOM 1939 CA ALA B 560 32.645 7.239 -20.580 1.00 50.04 C ATOM 1940 C ALA B 560 32.421 5.785 -20.981 1.00 31.25 C ATOM 1941 O ALA B 560 31.755 5.031 -20.271 1.00 10.24 O ATOM 1942 CB ALA B 560 34.062 7.432 -20.062 1.00 41.05 C ATOM 0 H ALA B 560 32.090 7.991 -18.704 1.00 3.04 H new ATOM 0 HA ALA B 560 32.506 7.859 -21.466 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.774 7.112 -20.823 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.225 8.485 -19.832 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.204 6.838 -19.159 1.00 41.05 H new ATOM 1948 N ILE B 561 32.979 5.398 -22.124 1.00 73.03 N ATOM 1949 CA ILE B 561 32.838 4.034 -22.618 1.00 2.23 C ATOM 1950 C ILE B 561 34.024 3.642 -23.494 1.00 30.44 C ATOM 1951 O ILE B 561 34.404 4.374 -24.407 1.00 42.35 O ATOM 1952 CB ILE B 561 31.539 3.858 -23.424 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.389 4.988 -24.445 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.337 3.816 -22.491 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.217 4.803 -25.384 1.00 63.22 C ATOM 0 H ILE B 561 33.532 6.009 -22.724 1.00 73.03 H new ATOM 0 HA ILE B 561 32.803 3.384 -21.744 1.00 2.23 H new ATOM 0 HB ILE B 561 31.589 2.912 -23.962 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.273 5.933 -23.914 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.305 5.061 -25.031 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.426 3.691 -23.077 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.442 2.979 -21.800 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.281 4.747 -21.927 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.172 5.641 -26.080 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.341 3.875 -25.942 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.293 4.760 -24.808 1.00 63.22 H new ATOM 1967 N LYS B 562 34.604 2.481 -23.209 1.00 34.53 N ATOM 1968 CA LYS B 562 35.745 1.988 -23.972 1.00 5.33 C ATOM 1969 C LYS B 562 35.467 0.596 -24.530 1.00 3.44 C ATOM 1970 O LYS B 562 35.847 -0.411 -23.933 1.00 74.43 O ATOM 1971 CB LYS B 562 36.997 1.955 -23.093 1.00 55.54 C ATOM 1972 CG LYS B 562 37.610 3.325 -22.853 1.00 23.25 C ATOM 1973 CD LYS B 562 38.571 3.707 -23.966 1.00 61.12 C ATOM 1974 CE LYS B 562 39.342 4.973 -23.626 1.00 62.12 C ATOM 1975 NZ LYS B 562 38.436 6.139 -23.431 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.303 1.864 -22.455 1.00 34.53 H new ATOM 0 HA LYS B 562 35.912 2.668 -24.807 1.00 5.33 H new ATOM 0 HB2 LYS B 562 36.744 1.506 -22.132 1.00 55.54 H new ATOM 0 HB3 LYS B 562 37.741 1.310 -23.560 1.00 55.54 H new ATOM 0 HG2 LYS B 562 36.819 4.071 -22.782 1.00 23.25 H new ATOM 0 HG3 LYS B 562 38.137 3.327 -21.899 1.00 23.25 H new ATOM 0 HD2 LYS B 562 39.271 2.890 -24.141 1.00 61.12 H new ATOM 0 HD3 LYS B 562 38.016 3.855 -24.892 1.00 61.12 H new ATOM 0 HE2 LYS B 562 39.925 4.811 -22.720 1.00 62.12 H new ATOM 0 HE3 LYS B 562 40.050 5.193 -24.425 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 39.003 7.004 -23.319 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 37.814 6.238 -24.259 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 37.858 5.991 -22.579 1.00 35.51 H new TER 1989 LYS B 562