USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 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 132 SER OG : rot 155:sc= -0.579 USER MOD Set 1.2: A 135 GLN :FLIP amide:sc= -0.659 F(o=-1.8,f=-1.2) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.175 X(o=-0.17,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+ -151:sc= 0 (180deg=-0.0122) USER MOD Single : A 76 ASN : amide:sc= -0.185 X(o=-0.18,f=0.097) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.162 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 91 THR OG1 : rot 94:sc= -0.663 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.7!) USER MOD Single : A 97 THR OG1 : rot -90:sc= -1.46 USER MOD Single : A 100 GLN : amide:sc= -0.0684 X(o=-0.068,f=-0.0055) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.575 F(o=-1.8,f=-0.58) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 35:sc= 0.288 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl 154:sc= -0.191 (180deg=-0.783) 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 X(o=0,f=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -57:sc= -0.404 USER MOD Single : A 141 HIS : +bothHN:sc= -2.67 K(o=-2.7,f=-4.3) USER MOD Single : A 145 GLN :FLIP amide:sc= -1.32 F(o=-3.3!,f=-1.3) USER MOD Single : B 518 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.0093) 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 180:sc= 0 USER MOD Single : B 529 SER OG : rot -55:sc= 0.00375 USER MOD Single : B 531 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.79) USER MOD Single : B 532 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.037) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 537 SER OG : rot -31:sc= 0.137! USER MOD Single : B 541 SER OG : rot 180:sc= -0.196 USER MOD Single : B 545 LYS NZ :NH3+ -164:sc=-0.00123 (180deg=-0.174) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot -30:sc= -0.663 USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 562 LYS NZ :NH3+ 144:sc= -0.264 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 -3.387 1.508 -44.138 1.00 74.20 N ATOM 2 CA MET A 69 -2.485 2.635 -43.931 1.00 31.11 C ATOM 3 C MET A 69 -1.697 2.469 -42.635 1.00 50.54 C ATOM 4 O MET A 69 -0.509 2.786 -42.574 1.00 3.54 O ATOM 5 CB MET A 69 -3.271 3.947 -43.899 1.00 33.12 C ATOM 6 CG MET A 69 -4.368 3.973 -42.847 1.00 34.21 C ATOM 7 SD MET A 69 -3.902 4.914 -41.381 1.00 30.11 S ATOM 8 CE MET A 69 -4.432 6.558 -41.852 1.00 32.55 C ATOM 0 HA MET A 69 -1.781 2.662 -44.763 1.00 31.11 H new ATOM 0 HB2 MET A 69 -2.581 4.770 -43.713 1.00 33.12 H new ATOM 0 HB3 MET A 69 -3.715 4.119 -44.879 1.00 33.12 H new ATOM 0 HG2 MET A 69 -5.271 4.405 -43.279 1.00 34.21 H new ATOM 0 HG3 MET A 69 -4.611 2.951 -42.556 1.00 34.21 H new ATOM 0 HE1 MET A 69 -4.211 7.257 -41.045 1.00 32.55 H new ATOM 0 HE2 MET A 69 -3.903 6.866 -42.754 1.00 32.55 H new ATOM 0 HE3 MET A 69 -5.505 6.553 -42.044 1.00 32.55 H new ATOM 18 N ASP A 70 -2.366 1.971 -41.601 1.00 23.23 N ATOM 19 CA ASP A 70 -1.729 1.762 -40.306 1.00 34.14 C ATOM 20 C ASP A 70 -0.444 0.953 -40.456 1.00 65.45 C ATOM 21 O ASP A 70 -0.414 -0.054 -41.162 1.00 24.10 O ATOM 22 CB ASP A 70 -2.686 1.049 -39.351 1.00 21.10 C ATOM 23 CG ASP A 70 -3.271 -0.213 -39.952 1.00 71.45 C ATOM 24 OD1 ASP A 70 -2.593 -1.261 -39.909 1.00 15.14 O ATOM 25 OD2 ASP A 70 -4.408 -0.155 -40.465 1.00 53.42 O1- ATOM 0 H ASP A 70 -3.350 1.704 -41.634 1.00 23.23 H new ATOM 0 HA ASP A 70 -1.476 2.738 -39.892 1.00 34.14 H new ATOM 0 HB2 ASP A 70 -2.157 0.798 -38.431 1.00 21.10 H new ATOM 0 HB3 ASP A 70 -3.495 1.727 -39.079 1.00 21.10 H new ATOM 30 N ASN A 71 0.614 1.402 -39.790 1.00 22.14 N ATOM 31 CA ASN A 71 1.901 0.720 -39.851 1.00 34.12 C ATOM 32 C ASN A 71 2.043 -0.279 -38.707 1.00 4.12 C ATOM 33 O ASN A 71 1.725 0.028 -37.559 1.00 65.53 O ATOM 34 CB ASN A 71 3.044 1.737 -39.799 1.00 71.13 C ATOM 35 CG ASN A 71 3.355 2.328 -41.161 1.00 0.32 C ATOM 36 OD1 ASN A 71 4.469 2.196 -41.667 1.00 3.23 O ATOM 37 ND2 ASN A 71 2.368 2.983 -41.761 1.00 4.42 N ATOM 0 H ASN A 71 0.606 2.235 -39.202 1.00 22.14 H new ATOM 0 HA ASN A 71 1.950 0.175 -40.794 1.00 34.12 H new ATOM 0 HB2 ASN A 71 2.782 2.539 -39.109 1.00 71.13 H new ATOM 0 HB3 ASN A 71 3.938 1.255 -39.402 1.00 71.13 H new ATOM 0 HD21 ASN A 71 2.518 3.402 -42.679 1.00 4.42 H new ATOM 0 HD22 ASN A 71 1.460 3.068 -41.304 1.00 4.42 H new ATOM 44 N SER A 72 2.522 -1.476 -39.030 1.00 3.04 N ATOM 45 CA SER A 72 2.704 -2.522 -38.031 1.00 45.25 C ATOM 46 C SER A 72 4.123 -2.503 -37.474 1.00 31.43 C ATOM 47 O SER A 72 5.089 -2.312 -38.214 1.00 24.42 O ATOM 48 CB SER A 72 2.400 -3.893 -38.636 1.00 33.44 C ATOM 49 OG SER A 72 1.279 -3.833 -39.502 1.00 30.22 O ATOM 0 H SER A 72 2.791 -1.745 -39.976 1.00 3.04 H new ATOM 0 HA SER A 72 2.010 -2.331 -37.213 1.00 45.25 H new ATOM 0 HB2 SER A 72 3.270 -4.252 -39.187 1.00 33.44 H new ATOM 0 HB3 SER A 72 2.209 -4.611 -37.839 1.00 33.44 H new ATOM 0 HG SER A 72 1.107 -4.722 -39.877 1.00 30.22 H new ATOM 55 N ALA A 73 4.244 -2.702 -36.166 1.00 32.23 N ATOM 56 CA ALA A 73 5.545 -2.709 -35.510 1.00 1.24 C ATOM 57 C ALA A 73 6.267 -4.032 -35.740 1.00 73.54 C ATOM 58 O ALA A 73 5.798 -4.884 -36.494 1.00 43.12 O ATOM 59 CB ALA A 73 5.386 -2.444 -34.020 1.00 50.03 C ATOM 0 H ALA A 73 3.455 -2.861 -35.539 1.00 32.23 H new ATOM 0 HA ALA A 73 6.150 -1.914 -35.946 1.00 1.24 H new ATOM 0 HB1 ALA A 73 6.366 -2.452 -33.542 1.00 50.03 H new ATOM 0 HB2 ALA A 73 4.918 -1.471 -33.871 1.00 50.03 H new ATOM 0 HB3 ALA A 73 4.760 -3.219 -33.577 1.00 50.03 H new ATOM 65 N SER A 74 7.413 -4.197 -35.086 1.00 65.05 N ATOM 66 CA SER A 74 8.203 -5.414 -35.222 1.00 24.22 C ATOM 67 C SER A 74 8.508 -6.021 -33.856 1.00 51.35 C ATOM 68 O SER A 74 7.925 -7.033 -33.469 1.00 13.12 O ATOM 69 CB SER A 74 9.508 -5.120 -35.965 1.00 11.40 C ATOM 70 OG SER A 74 9.318 -5.165 -37.368 1.00 64.15 O ATOM 0 H SER A 74 7.815 -3.502 -34.456 1.00 65.05 H new ATOM 0 HA SER A 74 7.620 -6.133 -35.797 1.00 24.22 H new ATOM 0 HB2 SER A 74 9.880 -4.137 -35.677 1.00 11.40 H new ATOM 0 HB3 SER A 74 10.267 -5.846 -35.674 1.00 11.40 H new ATOM 0 HG SER A 74 10.166 -4.972 -37.819 1.00 64.15 H new ATOM 76 N LYS A 75 9.427 -5.393 -33.130 1.00 51.20 N ATOM 77 CA LYS A 75 9.810 -5.868 -31.805 1.00 61.13 C ATOM 78 C LYS A 75 10.769 -4.890 -31.133 1.00 14.21 C ATOM 79 O LYS A 75 11.337 -4.016 -31.786 1.00 53.03 O ATOM 80 CB LYS A 75 10.461 -7.249 -31.904 1.00 4.54 C ATOM 81 CG LYS A 75 11.843 -7.227 -32.534 1.00 70.10 C ATOM 82 CD LYS A 75 12.151 -8.532 -33.250 1.00 22.54 C ATOM 83 CE LYS A 75 11.717 -8.484 -34.707 1.00 42.01 C ATOM 84 NZ LYS A 75 12.662 -7.690 -35.541 1.00 3.24 N1+ ATOM 0 H LYS A 75 9.920 -4.554 -33.436 1.00 51.20 H new ATOM 0 HA LYS A 75 8.908 -5.941 -31.198 1.00 61.13 H new ATOM 0 HB2 LYS A 75 10.533 -7.680 -30.905 1.00 4.54 H new ATOM 0 HB3 LYS A 75 9.815 -7.905 -32.488 1.00 4.54 H new ATOM 0 HG2 LYS A 75 11.909 -6.399 -33.240 1.00 70.10 H new ATOM 0 HG3 LYS A 75 12.592 -7.048 -31.763 1.00 70.10 H new ATOM 0 HD2 LYS A 75 13.220 -8.735 -33.194 1.00 22.54 H new ATOM 0 HD3 LYS A 75 11.644 -9.354 -32.745 1.00 22.54 H new ATOM 0 HE2 LYS A 75 11.650 -9.499 -35.100 1.00 42.01 H new ATOM 0 HE3 LYS A 75 10.720 -8.050 -34.775 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 12.148 -7.266 -36.340 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 13.086 -6.937 -34.963 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 13.412 -8.312 -35.903 1.00 3.24 H new ATOM 98 N ASN A 76 10.946 -5.046 -29.826 1.00 3.42 N ATOM 99 CA ASN A 76 11.837 -4.177 -29.066 1.00 15.21 C ATOM 100 C ASN A 76 11.921 -4.623 -27.609 1.00 1.14 C ATOM 101 O ASN A 76 10.910 -4.959 -26.993 1.00 24.43 O ATOM 102 CB ASN A 76 11.355 -2.727 -29.140 1.00 52.35 C ATOM 103 CG ASN A 76 9.842 -2.620 -29.146 1.00 1.44 C ATOM 104 OD1 ASN A 76 9.182 -2.953 -28.163 1.00 51.55 O ATOM 105 ND2 ASN A 76 9.287 -2.155 -30.259 1.00 51.31 N ATOM 0 H ASN A 76 10.484 -5.766 -29.270 1.00 3.42 H new ATOM 0 HA ASN A 76 12.832 -4.245 -29.506 1.00 15.21 H new ATOM 0 HB2 ASN A 76 11.752 -2.171 -28.291 1.00 52.35 H new ATOM 0 HB3 ASN A 76 11.753 -2.260 -30.041 1.00 52.35 H new ATOM 0 HD21 ASN A 76 8.273 -2.062 -30.323 1.00 51.31 H new ATOM 0 HD22 ASN A 76 9.874 -1.891 -31.050 1.00 51.31 H new ATOM 112 N SER A 77 13.133 -4.623 -27.064 1.00 4.44 N ATOM 113 CA SER A 77 13.350 -5.030 -25.681 1.00 12.05 C ATOM 114 C SER A 77 14.811 -4.849 -25.284 1.00 25.02 C ATOM 115 O SER A 77 15.649 -4.484 -26.108 1.00 34.10 O ATOM 116 CB SER A 77 12.933 -6.489 -25.485 1.00 2.00 C ATOM 117 OG SER A 77 13.145 -7.242 -26.668 1.00 22.15 O ATOM 0 H SER A 77 13.980 -4.345 -27.560 1.00 4.44 H new ATOM 0 HA SER A 77 12.737 -4.395 -25.041 1.00 12.05 H new ATOM 0 HB2 SER A 77 13.502 -6.926 -24.665 1.00 2.00 H new ATOM 0 HB3 SER A 77 11.881 -6.536 -25.204 1.00 2.00 H new ATOM 0 HG SER A 77 12.873 -8.171 -26.518 1.00 22.15 H new ATOM 123 N ALA A 78 15.110 -5.106 -24.014 1.00 22.23 N ATOM 124 CA ALA A 78 16.469 -4.974 -23.507 1.00 11.51 C ATOM 125 C ALA A 78 16.966 -6.290 -22.917 1.00 34.52 C ATOM 126 O ALA A 78 16.977 -6.469 -21.699 1.00 71.44 O ATOM 127 CB ALA A 78 16.539 -3.868 -22.465 1.00 23.42 C ATOM 0 H ALA A 78 14.428 -5.407 -23.318 1.00 22.23 H new ATOM 0 HA ALA A 78 17.117 -4.713 -24.343 1.00 11.51 H new ATOM 0 HB1 ALA A 78 17.561 -3.781 -22.095 1.00 23.42 H new ATOM 0 HB2 ALA A 78 16.235 -2.923 -22.916 1.00 23.42 H new ATOM 0 HB3 ALA A 78 15.872 -4.106 -21.636 1.00 23.42 H new ATOM 133 N ILE A 79 17.375 -7.206 -23.789 1.00 74.14 N ATOM 134 CA ILE A 79 17.872 -8.506 -23.353 1.00 71.01 C ATOM 135 C ILE A 79 19.309 -8.726 -23.813 1.00 71.13 C ATOM 136 O ILE A 79 20.112 -9.331 -23.104 1.00 10.44 O ATOM 137 CB ILE A 79 16.993 -9.652 -23.886 1.00 31.22 C ATOM 138 CG1 ILE A 79 15.546 -9.470 -23.424 1.00 14.41 C ATOM 139 CG2 ILE A 79 17.537 -10.995 -23.422 1.00 3.00 C ATOM 140 CD1 ILE A 79 14.585 -10.461 -24.044 1.00 1.13 C ATOM 0 H ILE A 79 17.372 -7.072 -24.800 1.00 74.14 H new ATOM 0 HA ILE A 79 17.837 -8.509 -22.264 1.00 71.01 H new ATOM 0 HB ILE A 79 17.013 -9.630 -24.976 1.00 31.22 H new ATOM 0 HG12 ILE A 79 15.505 -9.566 -22.339 1.00 14.41 H new ATOM 0 HG13 ILE A 79 15.220 -8.459 -23.667 1.00 14.41 H new ATOM 0 HG21 ILE A 79 16.905 -11.796 -23.806 1.00 3.00 H new ATOM 0 HG22 ILE A 79 18.553 -11.124 -23.794 1.00 3.00 H new ATOM 0 HG23 ILE A 79 17.543 -11.029 -22.333 1.00 3.00 H new ATOM 0 HD11 ILE A 79 13.578 -10.273 -23.671 1.00 1.13 H new ATOM 0 HD12 ILE A 79 14.597 -10.350 -25.128 1.00 1.13 H new ATOM 0 HD13 ILE A 79 14.887 -11.475 -23.779 1.00 1.13 H new ATOM 152 N SER A 80 19.627 -8.229 -25.005 1.00 54.20 N ATOM 153 CA SER A 80 20.966 -8.373 -25.560 1.00 1.35 C ATOM 154 C SER A 80 22.021 -7.894 -24.567 1.00 11.25 C ATOM 155 O SER A 80 21.703 -7.244 -23.572 1.00 61.02 O ATOM 156 CB SER A 80 21.086 -7.587 -26.868 1.00 45.00 C ATOM 157 OG SER A 80 20.700 -8.379 -27.977 1.00 4.14 O ATOM 0 H SER A 80 18.974 -7.723 -25.604 1.00 54.20 H new ATOM 0 HA SER A 80 21.137 -9.430 -25.762 1.00 1.35 H new ATOM 0 HB2 SER A 80 20.461 -6.696 -26.819 1.00 45.00 H new ATOM 0 HB3 SER A 80 22.114 -7.248 -26.999 1.00 45.00 H new ATOM 0 HG SER A 80 20.784 -7.853 -28.800 1.00 4.14 H new ATOM 163 N SER A 81 23.279 -8.222 -24.846 1.00 72.10 N ATOM 164 CA SER A 81 24.382 -7.830 -23.977 1.00 3.34 C ATOM 165 C SER A 81 24.491 -6.310 -23.889 1.00 74.11 C ATOM 166 O SER A 81 23.610 -5.586 -24.353 1.00 52.22 O ATOM 167 CB SER A 81 25.697 -8.418 -24.488 1.00 32.25 C ATOM 168 OG SER A 81 26.667 -8.475 -23.456 1.00 4.53 O ATOM 0 H SER A 81 23.559 -8.758 -25.667 1.00 72.10 H new ATOM 0 HA SER A 81 24.182 -8.221 -22.979 1.00 3.34 H new ATOM 0 HB2 SER A 81 25.522 -9.419 -24.882 1.00 32.25 H new ATOM 0 HB3 SER A 81 26.074 -7.812 -25.312 1.00 32.25 H new ATOM 0 HG SER A 81 27.498 -8.856 -23.809 1.00 4.53 H new ATOM 174 N SER A 82 25.579 -5.835 -23.292 1.00 64.12 N ATOM 175 CA SER A 82 25.803 -4.402 -23.140 1.00 73.52 C ATOM 176 C SER A 82 25.661 -3.686 -24.479 1.00 10.43 C ATOM 177 O SER A 82 26.552 -3.749 -25.328 1.00 22.43 O ATOM 178 CB SER A 82 27.192 -4.142 -22.553 1.00 44.04 C ATOM 179 OG SER A 82 27.260 -4.556 -21.200 1.00 54.11 O ATOM 0 H SER A 82 26.319 -6.421 -22.906 1.00 64.12 H new ATOM 0 HA SER A 82 25.049 -4.011 -22.457 1.00 73.52 H new ATOM 0 HB2 SER A 82 27.943 -4.674 -23.137 1.00 44.04 H new ATOM 0 HB3 SER A 82 27.427 -3.080 -22.624 1.00 44.04 H new ATOM 0 HG SER A 82 28.158 -4.381 -20.849 1.00 54.11 H new ATOM 185 N ILE A 83 24.537 -3.002 -24.661 1.00 3.54 N ATOM 186 CA ILE A 83 24.278 -2.272 -25.896 1.00 1.04 C ATOM 187 C ILE A 83 24.833 -0.853 -25.822 1.00 52.44 C ATOM 188 O ILE A 83 25.289 -0.301 -26.822 1.00 74.14 O ATOM 189 CB ILE A 83 22.770 -2.207 -26.206 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.538 -1.576 -27.581 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.042 -1.421 -25.126 1.00 13.24 C ATOM 192 CD1 ILE A 83 21.215 -1.963 -28.207 1.00 71.04 C ATOM 0 H ILE A 83 23.791 -2.938 -23.969 1.00 3.54 H new ATOM 0 HA ILE A 83 24.781 -2.815 -26.696 1.00 1.04 H new ATOM 0 HB ILE A 83 22.371 -3.221 -26.221 1.00 20.12 H new ATOM 0 HG12 ILE A 83 22.583 -0.491 -27.486 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.347 -1.871 -28.249 1.00 73.13 H new ATOM 0 HG21 ILE A 83 20.978 -1.383 -25.358 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.186 -1.908 -24.162 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.440 -0.407 -25.083 1.00 13.24 H new ATOM 0 HD11 ILE A 83 21.117 -1.480 -29.179 1.00 71.04 H new ATOM 0 HD12 ILE A 83 21.175 -3.045 -28.334 1.00 71.04 H new ATOM 0 HD13 ILE A 83 20.399 -1.643 -27.559 1.00 71.04 H new ATOM 204 N PHE A 84 24.790 -0.269 -24.629 1.00 22.43 N ATOM 205 CA PHE A 84 25.289 1.086 -24.424 1.00 52.22 C ATOM 206 C PHE A 84 26.737 1.209 -24.888 1.00 1.23 C ATOM 207 O PHE A 84 27.089 2.133 -25.622 1.00 0.11 O ATOM 208 CB PHE A 84 25.181 1.473 -22.947 1.00 51.20 C ATOM 209 CG PHE A 84 23.826 1.208 -22.355 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.662 0.243 -21.375 1.00 24.13 C ATOM 211 CD2 PHE A 84 22.719 1.923 -22.779 1.00 23.11 C ATOM 212 CE1 PHE A 84 22.416 -0.004 -20.829 1.00 43.41 C ATOM 213 CE2 PHE A 84 21.471 1.680 -22.236 1.00 3.54 C ATOM 214 CZ PHE A 84 21.319 0.716 -21.259 1.00 63.45 C ATOM 0 H PHE A 84 24.415 -0.712 -23.790 1.00 22.43 H new ATOM 0 HA PHE A 84 24.677 1.765 -25.017 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.931 0.922 -22.380 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.415 2.532 -22.839 1.00 51.20 H new ATOM 0 HD1 PHE A 84 24.516 -0.323 -21.034 1.00 24.13 H new ATOM 0 HD2 PHE A 84 22.832 2.679 -23.542 1.00 23.11 H new ATOM 0 HE1 PHE A 84 22.301 -0.760 -20.066 1.00 43.41 H new ATOM 0 HE2 PHE A 84 20.615 2.244 -22.576 1.00 3.54 H new ATOM 0 HZ PHE A 84 20.345 0.526 -20.833 1.00 63.45 H new ATOM 224 N CYS A 85 27.572 0.270 -24.455 1.00 41.44 N ATOM 225 CA CYS A 85 28.983 0.273 -24.826 1.00 10.24 C ATOM 226 C CYS A 85 29.152 0.077 -26.329 1.00 23.33 C ATOM 227 O CYS A 85 29.755 0.906 -27.008 1.00 44.32 O ATOM 228 CB CYS A 85 29.733 -0.824 -24.068 1.00 12.32 C ATOM 229 SG CYS A 85 31.510 -0.530 -23.911 1.00 24.32 S ATOM 0 H CYS A 85 27.297 -0.502 -23.848 1.00 41.44 H new ATOM 0 HA CYS A 85 29.402 1.243 -24.556 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.302 -0.922 -23.071 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.577 -1.775 -24.577 1.00 12.32 H new ATOM 0 HG CYS A 85 32.056 -1.510 -23.254 1.00 24.32 H new ATOM 235 N GLU A 86 28.615 -1.028 -26.839 1.00 41.31 N ATOM 236 CA GLU A 86 28.709 -1.333 -28.262 1.00 23.33 C ATOM 237 C GLU A 86 28.210 -0.164 -29.104 1.00 54.43 C ATOM 238 O GLU A 86 28.634 0.022 -30.245 1.00 14.41 O ATOM 239 CB GLU A 86 27.903 -2.593 -28.589 1.00 70.34 C ATOM 240 CG GLU A 86 28.373 -3.828 -27.840 1.00 12.31 C ATOM 241 CD GLU A 86 29.610 -4.450 -28.458 1.00 71.01 C ATOM 242 OE1 GLU A 86 30.303 -5.216 -27.755 1.00 12.02 O ATOM 243 OE2 GLU A 86 29.885 -4.173 -29.644 1.00 72.23 O1- ATOM 0 H GLU A 86 28.112 -1.725 -26.289 1.00 41.31 H new ATOM 0 HA GLU A 86 29.758 -1.508 -28.502 1.00 23.33 H new ATOM 0 HB2 GLU A 86 26.854 -2.414 -28.355 1.00 70.34 H new ATOM 0 HB3 GLU A 86 27.962 -2.784 -29.661 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.584 -3.562 -26.804 1.00 12.31 H new ATOM 0 HG3 GLU A 86 27.570 -4.565 -27.823 1.00 12.31 H new ATOM 250 N LYS A 87 27.303 0.624 -28.535 1.00 3.45 N ATOM 251 CA LYS A 87 26.745 1.777 -29.230 1.00 44.40 C ATOM 252 C LYS A 87 27.852 2.645 -29.822 1.00 54.55 C ATOM 253 O LYS A 87 27.651 3.321 -30.830 1.00 13.23 O ATOM 254 CB LYS A 87 25.886 2.609 -28.274 1.00 41.11 C ATOM 255 CG LYS A 87 24.855 3.473 -28.978 1.00 30.21 C ATOM 256 CD LYS A 87 23.704 2.639 -29.518 1.00 62.43 C ATOM 257 CE LYS A 87 22.540 2.599 -28.542 1.00 44.42 C ATOM 258 NZ LYS A 87 21.423 1.753 -29.046 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.939 0.484 -27.593 1.00 3.45 H new ATOM 0 HA LYS A 87 26.120 1.411 -30.045 1.00 44.40 H new ATOM 0 HB2 LYS A 87 25.375 1.939 -27.582 1.00 41.11 H new ATOM 0 HB3 LYS A 87 26.537 3.248 -27.677 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.470 4.220 -28.284 1.00 30.21 H new ATOM 0 HG3 LYS A 87 25.330 4.013 -29.797 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.369 3.052 -30.469 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.050 1.624 -29.716 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.884 2.213 -27.582 1.00 44.42 H new ATOM 0 HE3 LYS A 87 22.178 3.612 -28.367 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.648 1.751 -28.352 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.078 2.136 -29.949 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.762 0.780 -29.189 1.00 70.52 H new ATOM 272 N TYR A 88 29.019 2.617 -29.189 1.00 73.21 N ATOM 273 CA TYR A 88 30.157 3.402 -29.652 1.00 74.10 C ATOM 274 C TYR A 88 30.384 3.203 -31.148 1.00 50.10 C ATOM 275 O TYR A 88 30.845 4.107 -31.844 1.00 0.51 O ATOM 276 CB TYR A 88 31.419 3.016 -28.878 1.00 0.31 C ATOM 277 CG TYR A 88 32.165 1.848 -29.480 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.614 0.573 -29.483 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.423 2.018 -30.046 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.292 -0.498 -30.031 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.108 0.954 -30.598 1.00 45.43 C ATOM 282 CZ TYR A 88 33.539 -0.303 -30.587 1.00 51.51 C ATOM 283 OH TYR A 88 34.219 -1.367 -31.136 1.00 33.11 O ATOM 0 H TYR A 88 29.202 2.060 -28.355 1.00 73.21 H new ATOM 0 HA TYR A 88 29.936 4.454 -29.473 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.085 3.878 -28.833 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.145 2.771 -27.852 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.638 0.416 -29.049 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.873 3.000 -30.054 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.848 -1.483 -30.024 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.084 1.105 -31.036 1.00 45.43 H new ATOM 0 HH TYR A 88 35.081 -1.059 -31.485 1.00 33.11 H new ATOM 293 N LYS A 89 30.056 2.011 -31.635 1.00 34.53 N ATOM 294 CA LYS A 89 30.221 1.689 -33.048 1.00 32.43 C ATOM 295 C LYS A 89 29.297 2.542 -33.911 1.00 22.43 C ATOM 296 O LYS A 89 29.756 3.314 -34.751 1.00 3.10 O ATOM 297 CB LYS A 89 29.939 0.205 -33.291 1.00 53.34 C ATOM 298 CG LYS A 89 30.200 -0.237 -34.720 1.00 63.43 C ATOM 299 CD LYS A 89 29.329 -1.422 -35.105 1.00 14.45 C ATOM 300 CE LYS A 89 29.280 -1.611 -36.613 1.00 72.22 C ATOM 301 NZ LYS A 89 30.606 -2.004 -37.166 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.674 1.251 -31.072 1.00 34.53 H new ATOM 0 HA LYS A 89 31.252 1.906 -33.327 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.557 -0.389 -32.617 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.900 -0.005 -33.039 1.00 53.34 H new ATOM 0 HG2 LYS A 89 30.008 0.593 -35.400 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.251 -0.504 -34.833 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.716 -2.327 -34.636 1.00 14.45 H new ATOM 0 HD3 LYS A 89 28.319 -1.272 -34.723 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.543 -2.375 -36.860 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.950 -0.685 -37.085 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 30.531 -2.123 -38.196 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 31.304 -1.263 -36.953 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 30.910 -2.900 -36.735 1.00 43.33 H new ATOM 315 N GLN A 90 27.993 2.395 -33.696 1.00 2.13 N ATOM 316 CA GLN A 90 27.005 3.154 -34.455 1.00 14.13 C ATOM 317 C GLN A 90 27.300 4.648 -34.393 1.00 2.13 C ATOM 318 O GLN A 90 27.337 5.328 -35.419 1.00 41.43 O ATOM 319 CB GLN A 90 25.599 2.876 -33.921 1.00 44.13 C ATOM 320 CG GLN A 90 24.824 1.862 -34.746 1.00 72.41 C ATOM 321 CD GLN A 90 24.997 0.443 -34.239 1.00 65.22 C ATOM 322 OE1 GLN A 90 25.521 -0.420 -34.945 1.00 14.22 O ATOM 323 NE2 GLN A 90 24.557 0.194 -33.011 1.00 61.02 N ATOM 0 H GLN A 90 27.597 1.759 -33.004 1.00 2.13 H new ATOM 0 HA GLN A 90 27.060 2.836 -35.496 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.674 2.516 -32.895 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.040 3.811 -33.891 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.765 2.122 -34.733 1.00 72.41 H new ATOM 0 HG3 GLN A 90 25.153 1.916 -35.784 1.00 72.41 H new ATOM 0 HE21 GLN A 90 24.129 0.939 -32.462 1.00 61.02 H new ATOM 0 HE22 GLN A 90 24.647 -0.743 -32.617 1.00 61.02 H new ATOM 332 N THR A 91 27.510 5.156 -33.182 1.00 22.11 N ATOM 333 CA THR A 91 27.801 6.569 -32.985 1.00 23.40 C ATOM 334 C THR A 91 28.998 7.007 -33.820 1.00 53.31 C ATOM 335 O THR A 91 28.900 7.929 -34.631 1.00 13.14 O ATOM 336 CB THR A 91 28.080 6.885 -31.503 1.00 43.34 C ATOM 337 OG1 THR A 91 29.082 5.999 -30.995 1.00 21.23 O ATOM 338 CG2 THR A 91 26.811 6.755 -30.674 1.00 21.32 C ATOM 0 H THR A 91 27.484 4.608 -32.322 1.00 22.11 H new ATOM 0 HA THR A 91 26.917 7.120 -33.306 1.00 23.40 H new ATOM 0 HB THR A 91 28.436 7.913 -31.433 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.963 6.422 -31.073 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.033 6.983 -29.631 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.060 7.452 -31.046 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.430 5.737 -30.750 1.00 21.32 H new ATOM 346 N LYS A 92 30.129 6.338 -33.620 1.00 31.12 N ATOM 347 CA LYS A 92 31.346 6.655 -34.356 1.00 63.03 C ATOM 348 C LYS A 92 31.080 6.698 -35.857 1.00 75.23 C ATOM 349 O LYS A 92 31.558 7.589 -36.557 1.00 51.33 O ATOM 350 CB LYS A 92 32.436 5.625 -34.050 1.00 4.45 C ATOM 351 CG LYS A 92 33.831 6.077 -34.447 1.00 1.42 C ATOM 352 CD LYS A 92 34.879 5.572 -33.470 1.00 63.25 C ATOM 353 CE LYS A 92 34.750 6.246 -32.113 1.00 65.32 C ATOM 354 NZ LYS A 92 35.928 5.975 -31.245 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.227 5.572 -32.953 1.00 31.12 H new ATOM 0 HA LYS A 92 31.686 7.640 -34.037 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.425 5.404 -32.983 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.203 4.696 -34.571 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.061 5.714 -35.449 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.864 7.166 -34.487 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.778 4.493 -33.352 1.00 63.25 H new ATOM 0 HD3 LYS A 92 35.874 5.756 -33.875 1.00 63.25 H new ATOM 0 HE2 LYS A 92 34.640 7.322 -32.251 1.00 65.32 H new ATOM 0 HE3 LYS A 92 33.845 5.894 -31.617 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 35.802 6.452 -30.329 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 36.018 4.950 -31.092 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.789 6.333 -31.706 1.00 44.20 H new ATOM 368 N GLU A 93 30.312 5.728 -36.344 1.00 42.21 N ATOM 369 CA GLU A 93 29.981 5.656 -37.762 1.00 71.42 C ATOM 370 C GLU A 93 29.217 6.900 -38.208 1.00 60.11 C ATOM 371 O GLU A 93 29.512 7.482 -39.250 1.00 73.42 O ATOM 372 CB GLU A 93 29.151 4.404 -38.054 1.00 74.41 C ATOM 373 CG GLU A 93 29.353 3.852 -39.455 1.00 73.24 C ATOM 374 CD GLU A 93 28.182 3.010 -39.924 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.496 3.429 -40.880 1.00 63.11 O ATOM 376 OE2 GLU A 93 27.951 1.933 -39.335 1.00 60.10 O1- ATOM 0 H GLU A 93 29.908 4.982 -35.778 1.00 42.21 H new ATOM 0 HA GLU A 93 30.915 5.603 -38.322 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.406 3.632 -37.328 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.096 4.637 -37.913 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.502 4.679 -40.149 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.261 3.249 -39.477 1.00 73.24 H new ATOM 383 N GLN A 94 28.232 7.299 -37.408 1.00 40.54 N ATOM 384 CA GLN A 94 27.424 8.472 -37.719 1.00 30.21 C ATOM 385 C GLN A 94 28.283 9.732 -37.750 1.00 52.42 C ATOM 386 O GLN A 94 28.041 10.641 -38.544 1.00 15.43 O ATOM 387 CB GLN A 94 26.301 8.631 -36.693 1.00 23.31 C ATOM 388 CG GLN A 94 25.253 7.531 -36.762 1.00 1.33 C ATOM 389 CD GLN A 94 24.019 7.850 -35.944 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.429 8.921 -36.079 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.620 6.917 -35.086 1.00 14.24 N ATOM 0 H GLN A 94 27.975 6.827 -36.541 1.00 40.54 H new ATOM 0 HA GLN A 94 26.986 8.329 -38.707 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.734 8.647 -35.693 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.815 9.595 -36.845 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.965 7.374 -37.801 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.688 6.597 -36.407 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.139 6.042 -35.006 1.00 14.24 H new ATOM 0 HE22 GLN A 94 22.795 7.075 -34.508 1.00 14.24 H new ATOM 400 N ALA A 95 29.287 9.779 -36.879 1.00 25.00 N ATOM 401 CA ALA A 95 30.182 10.927 -36.808 1.00 45.15 C ATOM 402 C ALA A 95 31.038 11.035 -38.065 1.00 70.10 C ATOM 403 O ALA A 95 30.975 12.031 -38.788 1.00 11.14 O ATOM 404 CB ALA A 95 31.065 10.831 -35.573 1.00 72.43 C ATOM 0 H ALA A 95 29.500 9.036 -36.214 1.00 25.00 H new ATOM 0 HA ALA A 95 29.572 11.828 -36.737 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.729 11.695 -35.532 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.440 10.811 -34.680 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.659 9.919 -35.621 1.00 72.43 H new ATOM 410 N LEU A 96 31.838 10.006 -38.321 1.00 21.34 N ATOM 411 CA LEU A 96 32.707 9.985 -39.493 1.00 71.41 C ATOM 412 C LEU A 96 31.906 10.211 -40.770 1.00 65.14 C ATOM 413 O LEU A 96 32.350 10.914 -41.679 1.00 60.24 O ATOM 414 CB LEU A 96 33.453 8.652 -39.574 1.00 41.41 C ATOM 415 CG LEU A 96 32.597 7.393 -39.432 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.125 6.912 -40.794 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.374 6.298 -38.716 1.00 62.41 C ATOM 0 H LEU A 96 31.903 9.175 -37.733 1.00 21.34 H new ATOM 0 HA LEU A 96 33.430 10.794 -39.393 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.973 8.607 -40.531 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.216 8.638 -38.796 1.00 41.41 H new ATOM 0 HG LEU A 96 31.720 7.639 -38.833 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.517 6.015 -40.673 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.530 7.692 -41.269 1.00 0.51 H new ATOM 0 HD13 LEU A 96 32.989 6.683 -41.418 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.749 5.409 -38.624 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.270 6.054 -39.287 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.660 6.645 -37.723 1.00 62.41 H new ATOM 429 N THR A 97 30.720 9.612 -40.833 1.00 53.12 N ATOM 430 CA THR A 97 29.856 9.749 -41.998 1.00 4.23 C ATOM 431 C THR A 97 29.453 11.203 -42.217 1.00 42.31 C ATOM 432 O THR A 97 29.523 11.716 -43.334 1.00 43.35 O ATOM 433 CB THR A 97 28.585 8.891 -41.859 1.00 75.23 C ATOM 434 OG1 THR A 97 28.007 9.080 -40.562 1.00 52.14 O ATOM 435 CG2 THR A 97 28.899 7.417 -42.069 1.00 3.45 C ATOM 0 H THR A 97 30.337 9.027 -40.090 1.00 53.12 H new ATOM 0 HA THR A 97 30.428 9.401 -42.858 1.00 4.23 H new ATOM 0 HB THR A 97 27.875 9.207 -42.624 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.378 8.421 -39.939 1.00 52.14 H new ATOM 0 HG21 THR A 97 27.985 6.832 -41.966 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.312 7.272 -43.067 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.625 7.090 -41.325 1.00 3.45 H new ATOM 443 N PHE A 98 29.031 11.862 -41.143 1.00 64.32 N ATOM 444 CA PHE A 98 28.615 13.258 -41.217 1.00 20.12 C ATOM 445 C PHE A 98 29.820 14.174 -41.420 1.00 70.44 C ATOM 446 O PHE A 98 29.706 15.243 -42.019 1.00 24.53 O ATOM 447 CB PHE A 98 27.865 13.657 -39.945 1.00 4.32 C ATOM 448 CG PHE A 98 28.531 14.765 -39.179 1.00 40.02 C ATOM 449 CD1 PHE A 98 28.336 16.089 -39.539 1.00 53.24 C ATOM 450 CD2 PHE A 98 29.353 14.482 -38.100 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.947 17.110 -38.835 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.966 15.498 -37.393 1.00 2.32 C ATOM 453 CZ PHE A 98 29.764 16.814 -37.762 1.00 14.52 C ATOM 0 H PHE A 98 28.968 11.452 -40.211 1.00 64.32 H new ATOM 0 HA PHE A 98 27.948 13.368 -42.072 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.854 13.966 -40.211 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.772 12.784 -39.299 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.700 16.326 -40.379 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.516 13.455 -37.808 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.785 18.138 -39.124 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.603 15.264 -36.553 1.00 2.32 H new ATOM 0 HZ PHE A 98 30.244 17.610 -37.212 1.00 14.52 H new ATOM 463 N PHE A 99 30.972 13.745 -40.916 1.00 61.53 N ATOM 464 CA PHE A 99 32.197 14.526 -41.040 1.00 61.41 C ATOM 465 C PHE A 99 32.766 14.425 -42.452 1.00 60.30 C ATOM 466 O PHE A 99 33.313 15.393 -42.981 1.00 64.11 O ATOM 467 CB PHE A 99 33.237 14.046 -40.024 1.00 43.00 C ATOM 468 CG PHE A 99 34.573 14.716 -40.174 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.635 14.049 -40.764 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.768 16.011 -39.722 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.866 14.663 -40.903 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.996 16.631 -39.859 1.00 44.24 C ATOM 473 CZ PHE A 99 37.047 15.955 -40.448 1.00 54.34 C ATOM 0 H PHE A 99 31.083 12.862 -40.418 1.00 61.53 H new ATOM 0 HA PHE A 99 31.955 15.570 -40.838 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.860 14.226 -39.017 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.366 12.969 -40.129 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.499 13.038 -41.119 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.951 16.543 -39.257 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.685 14.133 -41.367 1.00 40.42 H new ATOM 0 HE2 PHE A 99 36.134 17.642 -39.506 1.00 44.24 H new ATOM 0 HZ PHE A 99 38.008 16.436 -40.553 1.00 54.34 H new ATOM 483 N GLN A 100 32.631 13.249 -43.055 1.00 31.14 N ATOM 484 CA GLN A 100 33.132 13.023 -44.406 1.00 2.22 C ATOM 485 C GLN A 100 32.125 13.497 -45.447 1.00 64.05 C ATOM 486 O GLN A 100 32.493 14.121 -46.441 1.00 14.00 O ATOM 487 CB GLN A 100 33.440 11.539 -44.616 1.00 53.03 C ATOM 488 CG GLN A 100 34.612 11.038 -43.787 1.00 64.35 C ATOM 489 CD GLN A 100 34.678 9.524 -43.725 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.714 8.924 -44.012 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.570 8.897 -43.348 1.00 14.41 N ATOM 0 H GLN A 100 32.180 12.439 -42.631 1.00 31.14 H new ATOM 0 HA GLN A 100 34.050 13.599 -44.527 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.554 10.954 -44.369 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.652 11.366 -45.671 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.541 11.421 -44.209 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.533 11.436 -42.775 1.00 64.35 H new ATOM 0 HE21 GLN A 100 32.733 9.433 -43.119 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.556 7.879 -43.287 1.00 14.41 H new ATOM 500 N GLU A 101 30.852 13.195 -45.212 1.00 35.51 N ATOM 501 CA GLU A 101 29.791 13.589 -46.132 1.00 4.42 C ATOM 502 C GLU A 101 29.620 15.105 -46.145 1.00 73.11 C ATOM 503 O GLU A 101 29.401 15.708 -47.197 1.00 13.41 O ATOM 504 CB GLU A 101 28.472 12.919 -45.743 1.00 74.32 C ATOM 505 CG GLU A 101 27.402 13.010 -46.818 1.00 62.12 C ATOM 506 CD GLU A 101 27.585 11.978 -47.913 1.00 61.35 C ATOM 507 OE1 GLU A 101 28.726 11.825 -48.399 1.00 22.34 O ATOM 508 OE2 GLU A 101 26.589 11.324 -48.286 1.00 61.22 O1- ATOM 0 H GLU A 101 30.530 12.679 -44.393 1.00 35.51 H new ATOM 0 HA GLU A 101 30.073 13.263 -47.133 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.660 11.869 -45.518 1.00 74.32 H new ATOM 0 HB3 GLU A 101 28.097 13.379 -44.829 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.421 12.879 -46.361 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.418 14.007 -47.258 1.00 62.12 H new ATOM 515 N HIS A 102 29.719 15.717 -44.969 1.00 15.43 N ATOM 516 CA HIS A 102 29.576 17.163 -44.845 1.00 21.40 C ATOM 517 C HIS A 102 30.645 17.738 -43.920 1.00 72.54 C ATOM 518 O HIS A 102 30.379 18.102 -42.774 1.00 40.35 O ATOM 519 CB HIS A 102 28.184 17.514 -44.315 1.00 2.24 C ATOM 520 CG HIS A 102 27.686 18.848 -44.780 1.00 13.40 C ATOM 521 ND1 HIS A 102 27.095 19.043 -46.011 1.00 73.30 N ATOM 522 CD2 HIS A 102 27.692 20.056 -44.171 1.00 34.24 C ATOM 523 CE1 HIS A 102 26.760 20.314 -46.138 1.00 44.23 C ATOM 524 NE2 HIS A 102 27.111 20.951 -45.037 1.00 62.12 N ATOM 0 H HIS A 102 29.898 15.234 -44.089 1.00 15.43 H new ATOM 0 HA HIS A 102 29.703 17.603 -45.834 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.480 16.743 -44.628 1.00 2.24 H new ATOM 0 HB3 HIS A 102 28.205 17.503 -43.225 1.00 2.24 H new ATOM 0 HD2 HIS A 102 28.081 20.276 -43.188 1.00 34.24 H new ATOM 0 HE1 HIS A 102 26.280 20.757 -46.998 1.00 44.23 H new ATOM 0 HE2 HIS A 102 26.973 21.946 -44.858 1.00 62.12 H new ATOM 533 N PRO A 103 31.883 17.821 -44.427 1.00 40.25 N ATOM 534 CA PRO A 103 33.017 18.350 -43.663 1.00 34.11 C ATOM 535 C PRO A 103 32.907 19.853 -43.428 1.00 22.13 C ATOM 536 O PRO A 103 33.616 20.641 -44.053 1.00 74.22 O ATOM 537 CB PRO A 103 34.222 18.036 -44.553 1.00 54.42 C ATOM 538 CG PRO A 103 33.664 17.957 -45.932 1.00 30.51 C ATOM 539 CD PRO A 103 32.273 17.406 -45.785 1.00 20.03 C ATOM 0 HA PRO A 103 33.078 17.910 -42.668 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.983 18.813 -44.478 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.695 17.098 -44.263 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.647 18.940 -46.403 1.00 30.51 H new ATOM 0 HG3 PRO A 103 34.275 17.312 -46.564 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.598 17.812 -46.539 1.00 20.03 H new ATOM 0 HD3 PRO A 103 32.257 16.322 -45.894 1.00 20.03 H new ATOM 547 N GLN A 104 32.015 20.242 -42.523 1.00 53.52 N ATOM 548 CA GLN A 104 31.812 21.650 -42.206 1.00 32.12 C ATOM 549 C GLN A 104 33.125 22.311 -41.797 1.00 3.31 C ATOM 550 O GLN A 104 33.370 23.475 -42.112 1.00 4.35 O ATOM 551 CB GLN A 104 30.782 21.800 -41.085 1.00 52.22 C ATOM 552 CG GLN A 104 30.004 23.105 -41.145 1.00 72.42 C ATOM 553 CD GLN A 104 28.520 22.889 -41.368 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.916 22.034 -40.552 1.00 50.22 O flip ATOM 555 NE2 GLN A 104 27.921 23.486 -42.264 1.00 43.34 N flip ATOM 0 H GLN A 104 31.421 19.601 -41.996 1.00 53.52 H new ATOM 0 HA GLN A 104 31.439 22.147 -43.101 1.00 32.12 H new ATOM 0 HB2 GLN A 104 30.081 20.966 -41.133 1.00 52.22 H new ATOM 0 HB3 GLN A 104 31.291 21.734 -40.124 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.152 23.655 -40.216 1.00 72.42 H new ATOM 0 HG3 GLN A 104 30.402 23.724 -41.949 1.00 72.42 H new ATOM 0 HE21 GLN A 104 28.424 24.135 -42.869 1.00 43.34 H new ATOM 0 HE22 GLN A 104 26.922 23.331 -42.401 1.00 43.34 H new ATOM 564 N TYR A 105 33.965 21.559 -41.095 1.00 14.32 N ATOM 565 CA TYR A 105 35.252 22.072 -40.639 1.00 65.43 C ATOM 566 C TYR A 105 36.100 22.538 -41.818 1.00 72.42 C ATOM 567 O TYR A 105 36.843 23.514 -41.715 1.00 15.51 O ATOM 568 CB TYR A 105 36.003 20.998 -39.850 1.00 13.44 C ATOM 569 CG TYR A 105 37.323 21.473 -39.285 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.457 20.674 -39.351 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.434 22.722 -38.686 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.664 21.104 -38.835 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.638 23.160 -38.169 1.00 62.22 C ATOM 574 CZ TYR A 105 39.750 22.348 -38.246 1.00 63.32 C ATOM 575 OH TYR A 105 40.951 22.781 -37.732 1.00 2.35 O ATOM 0 H TYR A 105 33.778 20.592 -40.829 1.00 14.32 H new ATOM 0 HA TYR A 105 35.064 22.926 -39.988 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.371 20.651 -39.032 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.183 20.141 -40.499 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.394 19.700 -39.814 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.565 23.361 -38.624 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.536 20.469 -38.893 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.708 24.134 -37.707 1.00 62.22 H new ATOM 0 HH TYR A 105 40.841 23.678 -37.354 1.00 2.35 H new ATOM 585 N MET A 106 35.981 21.834 -42.940 1.00 2.13 N ATOM 586 CA MET A 106 36.735 22.177 -44.140 1.00 12.33 C ATOM 587 C MET A 106 36.081 23.340 -44.879 1.00 34.43 C ATOM 588 O MET A 106 36.739 24.055 -45.635 1.00 14.31 O ATOM 589 CB MET A 106 36.840 20.963 -45.065 1.00 2.20 C ATOM 590 CG MET A 106 38.144 20.904 -45.845 1.00 33.23 C ATOM 591 SD MET A 106 39.539 20.390 -44.825 1.00 45.54 S ATOM 592 CE MET A 106 39.381 18.608 -44.909 1.00 62.30 C ATOM 0 H MET A 106 35.370 21.024 -43.043 1.00 2.13 H new ATOM 0 HA MET A 106 37.737 22.481 -43.836 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.740 20.054 -44.471 1.00 2.20 H new ATOM 0 HB3 MET A 106 36.006 20.978 -45.767 1.00 2.20 H new ATOM 0 HG2 MET A 106 38.033 20.211 -46.679 1.00 33.23 H new ATOM 0 HG3 MET A 106 38.353 21.885 -46.272 1.00 33.23 H new ATOM 0 HE1 MET A 106 40.176 18.144 -44.325 1.00 62.30 H new ATOM 0 HE2 MET A 106 38.413 18.309 -44.506 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.458 18.284 -45.947 1.00 62.30 H new ATOM 602 N ARG A 107 34.784 23.523 -44.656 1.00 64.32 N ATOM 603 CA ARG A 107 34.042 24.599 -45.302 1.00 35.05 C ATOM 604 C ARG A 107 34.258 25.922 -44.574 1.00 22.20 C ATOM 605 O ARG A 107 34.553 26.943 -45.195 1.00 15.10 O ATOM 606 CB ARG A 107 32.550 24.265 -45.343 1.00 40.51 C ATOM 607 CG ARG A 107 32.130 23.498 -46.587 1.00 44.25 C ATOM 608 CD ARG A 107 32.510 22.029 -46.490 1.00 14.22 C ATOM 609 NE ARG A 107 32.192 21.300 -47.715 1.00 62.33 N ATOM 610 CZ ARG A 107 32.889 21.415 -48.841 1.00 43.41 C ATOM 611 NH1 ARG A 107 33.937 22.226 -48.896 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 32.538 20.719 -49.914 1.00 71.14 N ATOM 0 H ARG A 107 34.225 22.940 -44.033 1.00 64.32 H new ATOM 0 HA ARG A 107 34.413 24.701 -46.322 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.294 23.678 -44.461 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.978 25.191 -45.287 1.00 40.51 H new ATOM 0 HG2 ARG A 107 31.052 23.588 -46.725 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.602 23.940 -47.465 1.00 44.25 H new ATOM 0 HD2 ARG A 107 33.577 21.943 -46.284 1.00 14.22 H new ATOM 0 HD3 ARG A 107 31.985 21.573 -45.650 1.00 14.22 H new ATOM 0 HE ARG A 107 31.391 20.668 -47.706 1.00 62.33 H new ATOM 0 HH11 ARG A 107 34.210 22.763 -48.073 1.00 11.24 H new ATOM 0 HH12 ARG A 107 34.470 22.312 -49.761 1.00 11.24 H new ATOM 0 HH21 ARG A 107 31.732 20.095 -49.876 1.00 71.14 H new ATOM 0 HH22 ARG A 107 33.074 20.808 -50.777 1.00 71.14 H new ATOM 626 N SER A 108 34.110 25.897 -43.254 1.00 32.45 N ATOM 627 CA SER A 108 34.284 27.095 -42.441 1.00 62.54 C ATOM 628 C SER A 108 34.640 26.729 -41.003 1.00 72.04 C ATOM 629 O SER A 108 33.824 26.169 -40.272 1.00 3.11 O ATOM 630 CB SER A 108 33.010 27.941 -42.464 1.00 72.53 C ATOM 631 OG SER A 108 33.061 28.911 -43.495 1.00 0.01 O ATOM 0 H SER A 108 33.870 25.059 -42.724 1.00 32.45 H new ATOM 0 HA SER A 108 35.105 27.675 -42.863 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.144 27.296 -42.610 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.881 28.435 -41.501 1.00 72.53 H new ATOM 0 HG SER A 108 33.535 28.541 -44.269 1.00 0.01 H new ATOM 637 N LYS A 109 35.867 27.050 -40.605 1.00 71.21 N ATOM 638 CA LYS A 109 36.334 26.758 -39.255 1.00 31.02 C ATOM 639 C LYS A 109 35.350 27.283 -38.213 1.00 3.25 C ATOM 640 O LYS A 109 35.155 26.667 -37.166 1.00 50.22 O ATOM 641 CB LYS A 109 37.715 27.377 -39.025 1.00 21.34 C ATOM 642 CG LYS A 109 37.827 28.810 -39.515 1.00 52.33 C ATOM 643 CD LYS A 109 38.611 28.895 -40.815 1.00 1.02 C ATOM 644 CE LYS A 109 39.511 30.121 -40.845 1.00 51.12 C ATOM 645 NZ LYS A 109 40.930 29.759 -41.114 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.556 27.512 -41.199 1.00 71.21 H new ATOM 0 HA LYS A 109 36.406 25.676 -39.149 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.945 27.347 -37.960 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.465 26.769 -39.530 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.830 29.224 -39.663 1.00 52.33 H new ATOM 0 HG3 LYS A 109 38.315 29.419 -38.754 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.215 27.996 -40.936 1.00 1.02 H new ATOM 0 HD3 LYS A 109 37.919 28.930 -41.657 1.00 1.02 H new ATOM 0 HE2 LYS A 109 39.160 30.811 -41.613 1.00 51.12 H new ATOM 0 HE3 LYS A 109 39.444 30.645 -39.891 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 41.512 30.621 -41.127 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 41.273 29.121 -40.368 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 40.998 29.282 -42.036 1.00 73.22 H new ATOM 659 N GLU A 110 34.734 28.422 -38.509 1.00 44.12 N ATOM 660 CA GLU A 110 33.771 29.028 -37.598 1.00 65.03 C ATOM 661 C GLU A 110 32.494 28.196 -37.524 1.00 4.22 C ATOM 662 O GLU A 110 31.888 28.060 -36.460 1.00 42.42 O ATOM 663 CB GLU A 110 33.438 30.454 -38.044 1.00 51.22 C ATOM 664 CG GLU A 110 32.765 30.524 -39.404 1.00 52.11 C ATOM 665 CD GLU A 110 32.866 31.899 -40.036 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.653 32.055 -40.993 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.159 32.817 -39.573 1.00 64.00 O1- ATOM 0 H GLU A 110 34.884 28.944 -39.372 1.00 44.12 H new ATOM 0 HA GLU A 110 34.221 29.062 -36.606 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.787 30.915 -37.301 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.356 31.041 -38.072 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.220 29.789 -40.068 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.714 30.253 -39.300 1.00 52.11 H new ATOM 674 N ASP A 111 32.089 27.643 -38.662 1.00 31.12 N ATOM 675 CA ASP A 111 30.884 26.823 -38.728 1.00 2.31 C ATOM 676 C ASP A 111 31.008 25.601 -37.822 1.00 54.23 C ATOM 677 O ASP A 111 30.196 25.402 -36.919 1.00 72.33 O ATOM 678 CB ASP A 111 30.621 26.381 -40.168 1.00 61.15 C ATOM 679 CG ASP A 111 29.149 26.137 -40.438 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.686 26.472 -41.548 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.459 25.611 -39.539 1.00 75.41 O1- ATOM 0 H ASP A 111 32.577 27.747 -39.551 1.00 31.12 H new ATOM 0 HA ASP A 111 30.044 27.426 -38.382 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.992 27.144 -40.853 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.181 25.469 -40.373 1.00 61.15 H new ATOM 686 N GLU A 112 32.029 24.787 -38.072 1.00 32.13 N ATOM 687 CA GLU A 112 32.257 23.584 -37.280 1.00 62.34 C ATOM 688 C GLU A 112 32.299 23.913 -35.791 1.00 34.15 C ATOM 689 O GLU A 112 31.713 23.205 -34.972 1.00 35.11 O ATOM 690 CB GLU A 112 33.563 22.908 -37.702 1.00 32.10 C ATOM 691 CG GLU A 112 33.860 21.627 -36.941 1.00 0.21 C ATOM 692 CD GLU A 112 35.333 21.471 -36.615 1.00 23.14 C ATOM 693 OE1 GLU A 112 35.954 22.461 -36.180 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.864 20.355 -36.797 1.00 14.24 O1- ATOM 0 H GLU A 112 32.710 24.939 -38.816 1.00 32.13 H new ATOM 0 HA GLU A 112 31.428 22.899 -37.460 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.519 22.685 -38.768 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.387 23.606 -37.556 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.284 21.616 -36.016 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.530 20.773 -37.532 1.00 0.21 H new ATOM 701 N GLU A 113 32.997 24.991 -35.449 1.00 34.35 N ATOM 702 CA GLU A 113 33.117 25.413 -34.058 1.00 1.04 C ATOM 703 C GLU A 113 31.742 25.650 -33.441 1.00 62.52 C ATOM 704 O GLU A 113 31.382 25.027 -32.442 1.00 62.44 O ATOM 705 CB GLU A 113 33.959 26.686 -33.958 1.00 30.23 C ATOM 706 CG GLU A 113 34.321 27.068 -32.532 1.00 33.05 C ATOM 707 CD GLU A 113 35.111 28.360 -32.456 1.00 2.32 C ATOM 708 OE1 GLU A 113 34.530 29.428 -32.740 1.00 5.24 O ATOM 709 OE2 GLU A 113 36.310 28.302 -32.113 1.00 53.21 O1- ATOM 0 H GLU A 113 33.488 25.588 -36.115 1.00 34.35 H new ATOM 0 HA GLU A 113 33.612 24.615 -33.505 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.875 26.551 -34.532 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.413 27.510 -34.418 1.00 30.23 H new ATOM 0 HG2 GLU A 113 33.409 27.170 -31.944 1.00 33.05 H new ATOM 0 HG3 GLU A 113 34.903 26.264 -32.081 1.00 33.05 H new ATOM 716 N GLN A 114 30.978 26.557 -34.043 1.00 21.15 N ATOM 717 CA GLN A 114 29.643 26.877 -33.552 1.00 15.15 C ATOM 718 C GLN A 114 28.808 25.614 -33.379 1.00 12.24 C ATOM 719 O GLN A 114 28.096 25.458 -32.386 1.00 54.31 O ATOM 720 CB GLN A 114 28.942 27.839 -34.512 1.00 72.44 C ATOM 721 CG GLN A 114 29.542 29.236 -34.522 1.00 22.33 C ATOM 722 CD GLN A 114 28.705 30.226 -35.309 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.930 30.992 -34.737 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.858 30.213 -36.628 1.00 40.41 N ATOM 0 H GLN A 114 31.261 27.082 -34.870 1.00 21.15 H new ATOM 0 HA GLN A 114 29.747 27.356 -32.579 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.984 27.427 -35.520 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.889 27.907 -34.240 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.647 29.589 -33.496 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.544 29.194 -34.949 1.00 22.33 H new ATOM 0 HE21 GLN A 114 29.513 29.560 -37.059 1.00 40.41 H new ATOM 0 HE22 GLN A 114 28.321 30.856 -37.210 1.00 40.41 H new ATOM 733 N LEU A 115 28.900 24.713 -34.350 1.00 24.11 N ATOM 734 CA LEU A 115 28.152 23.460 -34.306 1.00 72.35 C ATOM 735 C LEU A 115 28.608 22.596 -33.135 1.00 40.11 C ATOM 736 O LEU A 115 27.800 21.919 -32.499 1.00 41.13 O ATOM 737 CB LEU A 115 28.324 22.694 -35.618 1.00 4.21 C ATOM 738 CG LEU A 115 27.053 22.085 -36.212 1.00 72.30 C ATOM 739 CD1 LEU A 115 26.863 22.544 -37.650 1.00 43.40 C ATOM 740 CD2 LEU A 115 27.103 20.567 -36.137 1.00 4.03 C ATOM 0 H LEU A 115 29.485 24.826 -35.178 1.00 24.11 H new ATOM 0 HA LEU A 115 27.097 23.699 -34.169 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.758 23.369 -36.355 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.045 21.893 -35.456 1.00 4.21 H new ATOM 0 HG LEU A 115 26.200 22.429 -35.627 1.00 72.30 H new ATOM 0 HD11 LEU A 115 25.954 22.101 -38.056 1.00 43.40 H new ATOM 0 HD12 LEU A 115 26.781 23.631 -37.677 1.00 43.40 H new ATOM 0 HD13 LEU A 115 27.718 22.230 -38.248 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.190 20.151 -36.564 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.964 20.203 -36.697 1.00 4.03 H new ATOM 0 HD23 LEU A 115 27.190 20.257 -35.096 1.00 4.03 H new ATOM 752 N MET A 116 29.908 22.624 -32.855 1.00 70.42 N ATOM 753 CA MET A 116 30.469 21.845 -31.758 1.00 64.52 C ATOM 754 C MET A 116 29.949 22.344 -30.414 1.00 75.03 C ATOM 755 O MET A 116 29.330 21.594 -29.658 1.00 41.14 O ATOM 756 CB MET A 116 31.997 21.916 -31.785 1.00 43.44 C ATOM 757 CG MET A 116 32.667 20.972 -30.799 1.00 45.44 C ATOM 758 SD MET A 116 34.370 21.440 -30.436 1.00 64.42 S ATOM 759 CE MET A 116 34.118 22.985 -29.565 1.00 64.32 C ATOM 0 H MET A 116 30.591 23.177 -33.372 1.00 70.42 H new ATOM 0 HA MET A 116 30.157 20.808 -31.885 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.346 21.684 -32.791 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.309 22.937 -31.567 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.094 20.955 -29.872 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.651 19.960 -31.203 1.00 45.44 H new ATOM 0 HE1 MET A 116 34.958 23.166 -28.895 1.00 64.32 H new ATOM 0 HE2 MET A 116 34.045 23.801 -30.284 1.00 64.32 H new ATOM 0 HE3 MET A 116 33.197 22.930 -28.985 1.00 64.32 H new ATOM 769 N THR A 117 30.203 23.616 -30.120 1.00 23.24 N ATOM 770 CA THR A 117 29.762 24.214 -28.867 1.00 45.12 C ATOM 771 C THR A 117 28.274 23.980 -28.640 1.00 55.01 C ATOM 772 O THR A 117 27.856 23.592 -27.549 1.00 75.24 O ATOM 773 CB THR A 117 30.043 25.728 -28.839 1.00 45.34 C ATOM 774 OG1 THR A 117 29.439 26.317 -27.680 1.00 40.01 O ATOM 775 CG2 THR A 117 29.508 26.402 -30.093 1.00 22.51 C ATOM 0 H THR A 117 30.712 24.252 -30.734 1.00 23.24 H new ATOM 0 HA THR A 117 30.328 23.732 -28.070 1.00 45.12 H new ATOM 0 HB THR A 117 31.123 25.874 -28.800 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.623 27.279 -27.668 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.719 27.471 -30.050 1.00 22.51 H new ATOM 0 HG22 THR A 117 29.990 25.972 -30.971 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.431 26.247 -30.158 1.00 22.51 H new ATOM 783 N GLU A 118 27.477 24.217 -29.678 1.00 13.24 N ATOM 784 CA GLU A 118 26.033 24.031 -29.590 1.00 64.41 C ATOM 785 C GLU A 118 25.683 22.552 -29.453 1.00 71.35 C ATOM 786 O GLU A 118 24.724 22.191 -28.770 1.00 2.31 O ATOM 787 CB GLU A 118 25.345 24.618 -30.824 1.00 42.20 C ATOM 788 CG GLU A 118 24.925 26.068 -30.655 1.00 62.40 C ATOM 789 CD GLU A 118 23.522 26.209 -30.098 1.00 32.23 C ATOM 790 OE1 GLU A 118 22.688 25.317 -30.361 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.258 27.209 -29.399 1.00 51.30 O1- ATOM 0 H GLU A 118 27.807 24.538 -30.588 1.00 13.24 H new ATOM 0 HA GLU A 118 25.678 24.554 -28.702 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.020 24.541 -31.677 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.465 24.019 -31.059 1.00 42.20 H new ATOM 0 HG2 GLU A 118 25.628 26.571 -29.990 1.00 62.40 H new ATOM 0 HG3 GLU A 118 24.981 26.573 -31.619 1.00 62.40 H new ATOM 798 N PHE A 119 26.465 21.702 -30.109 1.00 72.35 N ATOM 799 CA PHE A 119 26.237 20.262 -30.062 1.00 31.24 C ATOM 800 C PHE A 119 26.471 19.720 -28.655 1.00 51.21 C ATOM 801 O PHE A 119 25.883 18.713 -28.259 1.00 74.52 O ATOM 802 CB PHE A 119 27.154 19.546 -31.056 1.00 12.54 C ATOM 803 CG PHE A 119 27.376 18.097 -30.731 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.506 17.694 -30.039 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.454 17.138 -31.118 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.712 16.360 -29.737 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.655 15.804 -30.820 1.00 3.12 C ATOM 808 CZ PHE A 119 27.786 15.414 -30.129 1.00 63.33 C ATOM 0 H PHE A 119 27.262 21.985 -30.679 1.00 72.35 H new ATOM 0 HA PHE A 119 25.199 20.075 -30.336 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.725 19.624 -32.055 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.117 20.056 -31.082 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.235 18.430 -29.732 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.568 17.437 -31.659 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.596 16.059 -29.195 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.928 15.066 -31.127 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.945 14.372 -29.896 1.00 63.33 H new ATOM 818 N LYS A 120 27.335 20.393 -27.903 1.00 14.44 N ATOM 819 CA LYS A 120 27.648 19.982 -26.541 1.00 23.11 C ATOM 820 C LYS A 120 26.621 20.532 -25.556 1.00 34.44 C ATOM 821 O LYS A 120 26.262 19.871 -24.583 1.00 62.52 O ATOM 822 CB LYS A 120 29.050 20.458 -26.152 1.00 32.24 C ATOM 823 CG LYS A 120 30.117 19.386 -26.295 1.00 15.35 C ATOM 824 CD LYS A 120 31.492 19.995 -26.512 1.00 0.00 C ATOM 825 CE LYS A 120 31.902 20.880 -25.344 1.00 12.11 C ATOM 826 NZ LYS A 120 33.380 20.916 -25.168 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.832 21.227 -28.215 1.00 14.44 H new ATOM 0 HA LYS A 120 27.616 18.893 -26.501 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.320 21.313 -26.772 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.033 20.807 -25.119 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.131 18.763 -25.401 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.870 18.735 -27.133 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.226 19.200 -26.643 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.490 20.581 -27.431 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.531 21.892 -25.507 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.436 20.513 -24.429 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.619 21.529 -24.363 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.732 19.954 -24.987 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.823 21.290 -26.031 1.00 75.10 H new ATOM 840 N LYS A 121 26.151 21.747 -25.817 1.00 31.11 N ATOM 841 CA LYS A 121 25.163 22.387 -24.956 1.00 75.21 C ATOM 842 C LYS A 121 23.788 21.753 -25.141 1.00 2.10 C ATOM 843 O LYS A 121 23.002 21.663 -24.198 1.00 52.44 O ATOM 844 CB LYS A 121 25.089 23.886 -25.257 1.00 1.02 C ATOM 845 CG LYS A 121 24.004 24.254 -26.253 1.00 1.41 C ATOM 846 CD LYS A 121 24.164 25.680 -26.751 1.00 43.52 C ATOM 847 CE LYS A 121 23.939 26.689 -25.636 1.00 20.23 C ATOM 848 NZ LYS A 121 23.356 27.960 -26.146 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.438 22.309 -26.618 1.00 31.11 H new ATOM 0 HA LYS A 121 25.473 22.245 -23.921 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.915 24.427 -24.327 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.053 24.218 -25.643 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.037 23.567 -27.098 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.026 24.138 -25.786 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.163 25.812 -27.166 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.457 25.866 -27.559 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.274 26.260 -24.887 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.886 26.898 -25.139 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.218 28.621 -25.355 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 24.002 28.383 -26.842 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.440 27.765 -26.598 1.00 31.14 H new ATOM 862 N VAL A 122 23.504 21.311 -26.363 1.00 23.10 N ATOM 863 CA VAL A 122 22.226 20.683 -26.670 1.00 13.41 C ATOM 864 C VAL A 122 22.164 19.264 -26.116 1.00 52.23 C ATOM 865 O VAL A 122 21.093 18.657 -26.051 1.00 71.34 O ATOM 866 CB VAL A 122 21.972 20.639 -28.189 1.00 62.53 C ATOM 867 CG1 VAL A 122 21.897 22.049 -28.758 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.055 19.831 -28.887 1.00 1.45 C ATOM 0 H VAL A 122 24.143 21.377 -27.156 1.00 23.10 H new ATOM 0 HA VAL A 122 21.454 21.290 -26.197 1.00 13.41 H new ATOM 0 HB VAL A 122 21.015 20.149 -28.366 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.717 21.999 -29.832 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.082 22.592 -28.279 1.00 0.12 H new ATOM 0 HG13 VAL A 122 22.838 22.567 -28.571 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.860 19.810 -29.959 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.026 20.290 -28.704 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.056 18.812 -28.499 1.00 1.45 H new ATOM 878 N LEU A 123 23.316 18.739 -25.716 1.00 4.14 N ATOM 879 CA LEU A 123 23.394 17.391 -25.165 1.00 53.40 C ATOM 880 C LEU A 123 23.132 17.401 -23.663 1.00 25.13 C ATOM 881 O LEU A 123 22.527 16.474 -23.122 1.00 61.25 O ATOM 882 CB LEU A 123 24.768 16.780 -25.451 1.00 74.02 C ATOM 883 CG LEU A 123 24.913 16.049 -26.786 1.00 44.32 C ATOM 884 CD1 LEU A 123 23.986 16.654 -27.829 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.357 16.092 -27.264 1.00 1.21 C ATOM 0 H LEU A 123 24.210 19.227 -25.763 1.00 4.14 H new ATOM 0 HA LEU A 123 22.626 16.784 -25.645 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.512 17.575 -25.413 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.007 16.081 -24.649 1.00 74.02 H new ATOM 0 HG LEU A 123 24.631 15.006 -26.640 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.103 16.121 -28.773 1.00 42.44 H new ATOM 0 HD12 LEU A 123 22.953 16.570 -27.490 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.237 17.705 -27.973 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.441 15.567 -28.215 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.667 17.129 -27.393 1.00 1.21 H new ATOM 0 HD23 LEU A 123 26.999 15.611 -26.526 1.00 1.21 H new ATOM 897 N LEU A 124 23.589 18.453 -22.995 1.00 54.13 N ATOM 898 CA LEU A 124 23.402 18.585 -21.554 1.00 75.34 C ATOM 899 C LEU A 124 22.119 19.347 -21.238 1.00 14.20 C ATOM 900 O LEU A 124 21.489 19.119 -20.206 1.00 71.21 O ATOM 901 CB LEU A 124 24.600 19.300 -20.927 1.00 22.35 C ATOM 902 CG LEU A 124 25.870 18.465 -20.762 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.621 18.370 -22.081 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.761 19.057 -19.680 1.00 45.33 C ATOM 0 H LEU A 124 24.092 19.228 -23.428 1.00 54.13 H new ATOM 0 HA LEU A 124 23.322 17.584 -21.131 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.839 20.170 -21.538 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.303 19.671 -19.946 1.00 22.35 H new ATOM 0 HG LEU A 124 25.583 17.458 -20.457 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.522 17.772 -21.944 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.983 17.900 -22.830 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.896 19.370 -22.416 1.00 33.13 H new ATOM 0 HD21 LEU A 124 27.660 18.450 -19.576 1.00 45.33 H new ATOM 0 HD22 LEU A 124 27.040 20.074 -19.955 1.00 45.33 H new ATOM 0 HD23 LEU A 124 26.222 19.072 -18.733 1.00 45.33 H new ATOM 916 N GLU A 125 21.736 20.249 -22.137 1.00 14.41 N ATOM 917 CA GLU A 125 20.526 21.042 -21.955 1.00 41.11 C ATOM 918 C GLU A 125 19.343 20.152 -21.587 1.00 63.43 C ATOM 919 O GLU A 125 18.734 20.292 -20.526 1.00 14.15 O ATOM 920 CB GLU A 125 20.210 21.831 -23.227 1.00 64.13 C ATOM 921 CG GLU A 125 18.728 22.092 -23.428 1.00 62.33 C ATOM 922 CD GLU A 125 18.083 22.757 -22.228 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.775 23.534 -21.537 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.886 22.500 -21.980 1.00 3.44 O1- ATOM 0 H GLU A 125 22.246 20.448 -22.998 1.00 14.41 H new ATOM 0 HA GLU A 125 20.700 21.741 -21.137 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.737 22.785 -23.193 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.594 21.285 -24.088 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.590 22.723 -24.306 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.221 21.149 -23.631 1.00 62.33 H new ATOM 931 N PRO A 126 19.006 19.216 -22.486 1.00 30.12 N ATOM 932 CA PRO A 126 17.893 18.285 -22.279 1.00 22.40 C ATOM 933 C PRO A 126 18.183 17.267 -21.181 1.00 25.33 C ATOM 934 O PRO A 126 19.341 16.973 -20.885 1.00 41.31 O ATOM 935 CB PRO A 126 17.759 17.585 -23.634 1.00 61.24 C ATOM 936 CG PRO A 126 19.112 17.687 -24.248 1.00 12.33 C ATOM 937 CD PRO A 126 19.687 18.992 -23.773 1.00 0.12 C ATOM 0 HA PRO A 126 16.987 18.799 -21.957 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.456 16.545 -23.514 1.00 61.24 H new ATOM 0 HB3 PRO A 126 17.005 18.067 -24.256 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.742 16.850 -23.945 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.049 17.661 -25.336 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.769 18.934 -23.651 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.489 19.799 -24.478 1.00 0.12 H new ATOM 945 N GLY A 127 17.125 16.732 -20.581 1.00 43.42 N ATOM 946 CA GLY A 127 17.289 15.752 -19.523 1.00 51.41 C ATOM 947 C GLY A 127 17.314 14.330 -20.047 1.00 23.25 C ATOM 948 O GLY A 127 17.786 13.419 -19.369 1.00 21.10 O ATOM 0 H GLY A 127 16.157 16.959 -20.808 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.216 15.954 -18.986 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.475 15.857 -18.806 1.00 51.41 H new ATOM 952 N SER A 128 16.799 14.139 -21.259 1.00 64.24 N ATOM 953 CA SER A 128 16.759 12.817 -21.872 1.00 14.15 C ATOM 954 C SER A 128 18.067 12.514 -22.597 1.00 43.42 C ATOM 955 O SER A 128 18.067 12.085 -23.750 1.00 75.43 O ATOM 956 CB SER A 128 15.588 12.720 -22.850 1.00 12.14 C ATOM 957 OG SER A 128 14.348 12.722 -22.163 1.00 41.51 O ATOM 0 H SER A 128 16.404 14.883 -21.834 1.00 64.24 H new ATOM 0 HA SER A 128 16.624 12.081 -21.079 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.622 13.557 -23.547 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.678 11.809 -23.441 1.00 12.14 H new ATOM 0 HG SER A 128 13.615 12.661 -22.811 1.00 41.51 H new ATOM 963 N LYS A 129 19.183 12.741 -21.911 1.00 13.44 N ATOM 964 CA LYS A 129 20.499 12.491 -22.486 1.00 70.44 C ATOM 965 C LYS A 129 20.644 11.031 -22.902 1.00 11.20 C ATOM 966 O LYS A 129 21.549 10.678 -23.657 1.00 23.24 O ATOM 967 CB LYS A 129 21.595 12.857 -21.481 1.00 55.21 C ATOM 968 CG LYS A 129 21.447 12.159 -20.141 1.00 13.43 C ATOM 969 CD LYS A 129 22.200 12.895 -19.044 1.00 2.32 C ATOM 970 CE LYS A 129 21.254 13.680 -18.149 1.00 34.02 C ATOM 971 NZ LYS A 129 21.897 14.064 -16.862 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.202 13.098 -20.956 1.00 13.44 H new ATOM 0 HA LYS A 129 20.604 13.115 -23.374 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.566 12.605 -21.907 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.586 13.935 -21.323 1.00 55.21 H new ATOM 0 HG2 LYS A 129 20.391 12.093 -19.878 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.820 11.138 -20.218 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.761 12.179 -18.443 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.926 13.574 -19.492 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.922 14.578 -18.671 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.366 13.082 -17.947 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 21.219 14.597 -16.281 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 22.191 13.207 -16.352 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.730 14.656 -17.053 1.00 60.14 H new ATOM 985 N ASN A 130 19.745 10.187 -22.406 1.00 50.25 N ATOM 986 CA ASN A 130 19.772 8.766 -22.728 1.00 20.54 C ATOM 987 C ASN A 130 19.291 8.521 -24.155 1.00 24.34 C ATOM 988 O ASN A 130 19.293 7.388 -24.638 1.00 52.01 O ATOM 989 CB ASN A 130 18.902 7.981 -21.743 1.00 13.43 C ATOM 990 CG ASN A 130 19.636 7.655 -20.456 1.00 62.11 C ATOM 991 OD1 ASN A 130 20.460 6.741 -20.413 1.00 43.45 O ATOM 992 ND2 ASN A 130 19.338 8.403 -19.400 1.00 30.42 N ATOM 0 H ASN A 130 18.989 10.463 -21.780 1.00 50.25 H new ATOM 0 HA ASN A 130 20.803 8.421 -22.647 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.008 8.559 -21.511 1.00 13.43 H new ATOM 0 HB3 ASN A 130 18.570 7.055 -22.213 1.00 13.43 H new ATOM 0 HD21 ASN A 130 19.799 8.231 -18.507 1.00 30.42 H new ATOM 0 HD22 ASN A 130 18.648 9.150 -19.482 1.00 30.42 H new ATOM 999 N LEU A 131 18.878 9.591 -24.826 1.00 22.31 N ATOM 1000 CA LEU A 131 18.394 9.494 -26.198 1.00 15.12 C ATOM 1001 C LEU A 131 19.503 9.022 -27.134 1.00 65.34 C ATOM 1002 O LEU A 131 20.681 9.049 -26.780 1.00 42.41 O ATOM 1003 CB LEU A 131 17.857 10.847 -26.666 1.00 11.43 C ATOM 1004 CG LEU A 131 18.838 12.018 -26.604 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.620 12.130 -27.902 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.101 13.316 -26.309 1.00 50.13 C ATOM 0 H LEU A 131 18.869 10.536 -24.442 1.00 22.31 H new ATOM 0 HA LEU A 131 17.587 8.762 -26.223 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.513 10.742 -27.695 1.00 11.43 H new ATOM 0 HB3 LEU A 131 16.985 11.098 -26.062 1.00 11.43 H new ATOM 0 HG LEU A 131 19.544 11.832 -25.795 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.313 12.969 -27.838 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.179 11.210 -28.070 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.930 12.292 -28.730 1.00 2.43 H new ATOM 0 HD21 LEU A 131 18.815 14.139 -26.268 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.371 13.507 -27.096 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.588 13.233 -25.351 1.00 50.13 H new ATOM 1018 N SER A 132 19.116 8.592 -28.331 1.00 12.44 N ATOM 1019 CA SER A 132 20.076 8.114 -29.319 1.00 34.35 C ATOM 1020 C SER A 132 20.896 9.269 -29.884 1.00 0.35 C ATOM 1021 O SER A 132 20.404 10.391 -30.006 1.00 24.34 O ATOM 1022 CB SER A 132 19.354 7.383 -30.451 1.00 71.11 C ATOM 1023 OG SER A 132 19.931 7.693 -31.707 1.00 74.41 O ATOM 0 H SER A 132 18.144 8.565 -28.640 1.00 12.44 H new ATOM 0 HA SER A 132 20.754 7.420 -28.823 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.400 6.307 -30.281 1.00 71.11 H new ATOM 0 HB3 SER A 132 18.300 7.660 -30.453 1.00 71.11 H new ATOM 0 HG SER A 132 19.756 6.963 -32.337 1.00 74.41 H new ATOM 1029 N ILE A 133 22.148 8.986 -30.229 1.00 2.43 N ATOM 1030 CA ILE A 133 23.036 10.001 -30.783 1.00 72.04 C ATOM 1031 C ILE A 133 22.443 10.620 -32.044 1.00 24.01 C ATOM 1032 O ILE A 133 22.657 11.799 -32.329 1.00 53.43 O ATOM 1033 CB ILE A 133 24.421 9.416 -31.113 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.386 10.532 -31.519 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.308 8.379 -32.220 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.843 10.145 -31.400 1.00 63.31 C ATOM 0 H ILE A 133 22.570 8.062 -30.135 1.00 2.43 H new ATOM 0 HA ILE A 133 23.149 10.773 -30.022 1.00 72.04 H new ATOM 0 HB ILE A 133 24.814 8.927 -30.222 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.179 10.823 -32.549 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.199 11.407 -30.897 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.296 7.975 -32.442 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.650 7.572 -31.897 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.897 8.846 -33.115 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.468 10.984 -31.704 1.00 63.31 H new ATOM 0 HD12 ILE A 133 27.066 9.882 -30.366 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.046 9.289 -32.044 1.00 63.31 H new ATOM 1048 N TYR A 134 21.696 9.818 -32.794 1.00 51.34 N ATOM 1049 CA TYR A 134 21.072 10.287 -34.026 1.00 14.53 C ATOM 1050 C TYR A 134 20.322 11.595 -33.794 1.00 72.13 C ATOM 1051 O TYR A 134 20.339 12.491 -34.638 1.00 64.14 O ATOM 1052 CB TYR A 134 20.113 9.228 -34.573 1.00 10.23 C ATOM 1053 CG TYR A 134 20.531 8.668 -35.914 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.730 7.303 -36.087 1.00 75.12 C ATOM 1055 CD2 TYR A 134 20.725 9.503 -37.008 1.00 14.43 C ATOM 1056 CE1 TYR A 134 21.113 6.788 -37.310 1.00 43.31 C ATOM 1057 CE2 TYR A 134 21.107 8.995 -38.234 1.00 22.22 C ATOM 1058 CZ TYR A 134 21.299 7.637 -38.381 1.00 2.11 C ATOM 1059 OH TYR A 134 21.678 7.127 -39.601 1.00 3.43 O ATOM 0 H TYR A 134 21.508 8.841 -32.571 1.00 51.34 H new ATOM 0 HA TYR A 134 21.861 10.466 -34.756 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.039 8.411 -33.855 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.118 9.663 -34.665 1.00 10.23 H new ATOM 0 HD1 TYR A 134 20.583 6.635 -35.252 1.00 75.12 H new ATOM 0 HD2 TYR A 134 20.575 10.567 -36.897 1.00 14.43 H new ATOM 0 HE1 TYR A 134 21.266 5.725 -37.427 1.00 43.31 H new ATOM 0 HE2 TYR A 134 21.255 9.658 -39.074 1.00 22.22 H new ATOM 0 HH TYR A 134 21.765 7.858 -40.248 1.00 3.43 H new ATOM 1069 N GLN A 135 19.666 11.698 -32.642 1.00 15.24 N ATOM 1070 CA GLN A 135 18.911 12.896 -32.298 1.00 3.44 C ATOM 1071 C GLN A 135 19.843 14.020 -31.859 1.00 63.55 C ATOM 1072 O GLN A 135 19.589 15.195 -32.131 1.00 15.31 O ATOM 1073 CB GLN A 135 17.906 12.589 -31.186 1.00 23.05 C ATOM 1074 CG GLN A 135 17.262 11.217 -31.310 1.00 5.20 C ATOM 1075 CD GLN A 135 16.832 10.901 -32.729 1.00 34.34 C ATOM 1076 OE1 GLN A 135 17.183 9.711 -33.203 1.00 23.14 O flip ATOM 1077 NE2 GLN A 135 16.190 11.717 -33.392 1.00 23.23 N flip ATOM 0 H GLN A 135 19.643 10.966 -31.932 1.00 15.24 H new ATOM 0 HA GLN A 135 18.371 13.222 -33.187 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.410 12.659 -30.222 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.125 13.350 -31.193 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.966 10.457 -30.970 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.395 11.166 -30.652 1.00 5.20 H new ATOM 0 HE21 GLN A 135 15.942 12.620 -32.988 1.00 23.23 H new ATOM 0 HE22 GLN A 135 15.907 11.490 -34.345 1.00 23.23 H new ATOM 1086 N THR A 136 20.925 13.655 -31.179 1.00 4.35 N ATOM 1087 CA THR A 136 21.895 14.632 -30.701 1.00 41.33 C ATOM 1088 C THR A 136 22.493 15.423 -31.859 1.00 13.53 C ATOM 1089 O THR A 136 22.527 16.654 -31.831 1.00 52.25 O ATOM 1090 CB THR A 136 23.033 13.956 -29.915 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.903 13.258 -30.813 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.477 12.986 -28.884 1.00 12.34 C ATOM 0 H THR A 136 21.152 12.688 -30.947 1.00 4.35 H new ATOM 0 HA THR A 136 21.359 15.311 -30.038 1.00 41.33 H new ATOM 0 HB THR A 136 23.595 14.732 -29.395 1.00 42.43 H new ATOM 0 HG1 THR A 136 23.386 12.603 -31.326 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.300 12.521 -28.341 1.00 12.34 H new ATOM 0 HG22 THR A 136 21.839 13.525 -28.184 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.893 12.216 -29.387 1.00 12.34 H new ATOM 1100 N LEU A 137 22.963 14.710 -32.876 1.00 40.20 N ATOM 1101 CA LEU A 137 23.560 15.347 -34.046 1.00 24.30 C ATOM 1102 C LEU A 137 22.491 16.003 -34.914 1.00 25.13 C ATOM 1103 O LEU A 137 22.635 17.153 -35.332 1.00 73.04 O ATOM 1104 CB LEU A 137 24.341 14.320 -34.867 1.00 71.51 C ATOM 1105 CG LEU A 137 25.436 14.879 -35.776 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.458 15.659 -34.963 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.111 13.757 -36.551 1.00 41.53 C ATOM 0 H LEU A 137 22.943 13.691 -32.915 1.00 40.20 H new ATOM 0 HA LEU A 137 24.244 16.121 -33.698 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.796 13.606 -34.180 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.634 13.764 -35.483 1.00 71.51 H new ATOM 0 HG LEU A 137 24.975 15.560 -36.491 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.230 16.049 -35.627 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.964 16.487 -34.455 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.914 15.000 -34.224 1.00 42.21 H new ATOM 0 HD21 LEU A 137 26.887 14.174 -37.193 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.558 13.050 -35.852 1.00 41.53 H new ATOM 0 HD23 LEU A 137 25.371 13.242 -37.164 1.00 41.53 H new ATOM 1119 N LEU A 138 21.417 15.267 -35.178 1.00 10.14 N ATOM 1120 CA LEU A 138 20.322 15.778 -35.995 1.00 31.24 C ATOM 1121 C LEU A 138 19.766 17.072 -35.411 1.00 11.02 C ATOM 1122 O LEU A 138 19.632 18.074 -36.113 1.00 71.33 O ATOM 1123 CB LEU A 138 19.209 14.733 -36.101 1.00 41.12 C ATOM 1124 CG LEU A 138 18.038 15.092 -37.016 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.410 13.834 -37.598 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.999 15.906 -36.257 1.00 22.45 C ATOM 0 H LEU A 138 21.281 14.315 -34.838 1.00 10.14 H new ATOM 0 HA LEU A 138 20.711 15.988 -36.991 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.647 13.799 -36.454 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.818 14.544 -35.101 1.00 41.12 H new ATOM 0 HG LEU A 138 18.417 15.699 -37.839 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.578 14.109 -38.247 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.156 13.289 -38.176 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.045 13.202 -36.789 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.173 16.153 -36.923 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.625 15.324 -35.415 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.455 16.825 -35.889 1.00 22.45 H new ATOM 1138 N ALA A 139 19.444 17.043 -34.122 1.00 11.23 N ATOM 1139 CA ALA A 139 18.906 18.215 -33.442 1.00 25.20 C ATOM 1140 C ALA A 139 19.923 19.351 -33.419 1.00 1.41 C ATOM 1141 O ALA A 139 19.635 20.464 -33.859 1.00 21.21 O ATOM 1142 CB ALA A 139 18.481 17.856 -32.026 1.00 44.04 C ATOM 0 H ALA A 139 19.546 16.221 -33.528 1.00 11.23 H new ATOM 0 HA ALA A 139 18.031 18.556 -33.996 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.081 18.741 -31.531 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.714 17.082 -32.061 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.343 17.487 -31.470 1.00 44.04 H new ATOM 1148 N ALA A 140 21.113 19.063 -32.902 1.00 70.34 N ATOM 1149 CA ALA A 140 22.173 20.061 -32.822 1.00 73.32 C ATOM 1150 C ALA A 140 22.390 20.740 -34.170 1.00 31.53 C ATOM 1151 O ALA A 140 22.515 21.963 -34.248 1.00 61.43 O ATOM 1152 CB ALA A 140 23.464 19.420 -32.337 1.00 20.30 C ATOM 0 H ALA A 140 21.367 18.147 -32.532 1.00 70.34 H new ATOM 0 HA ALA A 140 21.868 20.824 -32.106 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.247 20.176 -32.282 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.307 18.988 -31.349 1.00 20.30 H new ATOM 0 HB3 ALA A 140 23.765 18.636 -33.032 1.00 20.30 H new ATOM 1158 N HIS A 141 22.435 19.939 -35.231 1.00 1.44 N ATOM 1159 CA HIS A 141 22.637 20.463 -36.577 1.00 35.23 C ATOM 1160 C HIS A 141 21.504 21.407 -36.969 1.00 23.11 C ATOM 1161 O HIS A 141 21.721 22.600 -37.173 1.00 71.12 O ATOM 1162 CB HIS A 141 22.734 19.317 -37.584 1.00 54.14 C ATOM 1163 CG HIS A 141 24.142 18.920 -37.907 1.00 62.40 C ATOM 1164 ND1 HIS A 141 24.844 17.982 -37.181 1.00 11.41 N ATOM 1165 CD2 HIS A 141 24.978 19.340 -38.885 1.00 55.51 C ATOM 1166 CE1 HIS A 141 26.052 17.842 -37.698 1.00 43.34 C ATOM 1167 NE2 HIS A 141 26.158 18.655 -38.734 1.00 1.53 N ATOM 0 H HIS A 141 22.334 18.925 -35.184 1.00 1.44 H new ATOM 0 HA HIS A 141 23.572 21.024 -36.585 1.00 35.23 H new ATOM 0 HB2 HIS A 141 22.203 18.451 -37.189 1.00 54.14 H new ATOM 0 HB3 HIS A 141 22.228 19.609 -38.504 1.00 54.14 H new ATOM 0 HD1 HIS A 141 24.487 17.475 -36.371 1.00 11.41 H new ATOM 0 HD2 HIS A 141 24.758 20.077 -39.643 1.00 55.51 H new ATOM 0 HE1 HIS A 141 26.821 17.176 -37.335 1.00 43.34 H new ATOM 0 HE2 HIS A 141 26.983 18.757 -39.326 1.00 1.53 H new ATOM 1176 N GLU A 142 20.296 20.862 -37.073 1.00 21.22 N ATOM 1177 CA GLU A 142 19.130 21.655 -37.442 1.00 60.01 C ATOM 1178 C GLU A 142 19.009 22.891 -36.555 1.00 12.12 C ATOM 1179 O GLU A 142 18.595 23.957 -37.010 1.00 65.25 O ATOM 1180 CB GLU A 142 17.858 20.812 -37.337 1.00 0.33 C ATOM 1181 CG GLU A 142 17.883 19.561 -38.199 1.00 13.53 C ATOM 1182 CD GLU A 142 17.001 19.680 -39.427 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.785 19.419 -39.312 1.00 13.54 O ATOM 1184 OE2 GLU A 142 17.527 20.034 -40.503 1.00 0.23 O1- ATOM 0 H GLU A 142 20.100 19.875 -36.907 1.00 21.22 H new ATOM 0 HA GLU A 142 19.257 21.981 -38.474 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.709 20.523 -36.297 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.002 21.423 -37.624 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.908 19.360 -38.511 1.00 13.53 H new ATOM 0 HG3 GLU A 142 17.557 18.708 -37.604 1.00 13.53 H new ATOM 1191 N ARG A 143 19.374 22.739 -35.287 1.00 11.21 N ATOM 1192 CA ARG A 143 19.305 23.840 -34.334 1.00 60.32 C ATOM 1193 C ARG A 143 20.407 24.861 -34.602 1.00 61.53 C ATOM 1194 O ARG A 143 20.230 26.058 -34.373 1.00 4.22 O ATOM 1195 CB ARG A 143 19.421 23.313 -32.902 1.00 31.13 C ATOM 1196 CG ARG A 143 18.137 22.692 -32.376 1.00 61.33 C ATOM 1197 CD ARG A 143 18.133 22.622 -30.857 1.00 34.34 C ATOM 1198 NE ARG A 143 17.857 21.273 -30.371 1.00 43.43 N ATOM 1199 CZ ARG A 143 16.638 20.749 -30.314 1.00 42.24 C ATOM 1200 NH1 ARG A 143 15.589 21.455 -30.710 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 16.467 19.514 -29.859 1.00 72.21 N ATOM 0 H ARG A 143 19.721 21.863 -34.895 1.00 11.21 H new ATOM 0 HA ARG A 143 18.340 24.332 -34.456 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.218 22.570 -32.861 1.00 31.13 H new ATOM 0 HB3 ARG A 143 19.714 24.132 -32.245 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.283 23.277 -32.716 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.021 21.689 -32.788 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.099 22.954 -30.477 1.00 34.34 H new ATOM 0 HD3 ARG A 143 17.383 23.309 -30.465 1.00 34.34 H new ATOM 0 HE ARG A 143 18.643 20.702 -30.058 1.00 43.43 H new ATOM 0 HH11 ARG A 143 15.716 22.405 -31.060 1.00 31.10 H new ATOM 0 HH12 ARG A 143 14.654 21.049 -30.665 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.272 18.967 -29.553 1.00 72.21 H new ATOM 0 HH22 ARG A 143 15.531 19.112 -29.815 1.00 72.21 H new ATOM 1215 N LEU A 144 21.546 24.379 -35.089 1.00 51.52 N ATOM 1216 CA LEU A 144 22.677 25.249 -35.389 1.00 34.24 C ATOM 1217 C LEU A 144 22.358 26.175 -36.558 1.00 61.12 C ATOM 1218 O LEU A 144 22.589 27.382 -36.487 1.00 51.43 O ATOM 1219 CB LEU A 144 23.918 24.412 -35.710 1.00 61.43 C ATOM 1220 CG LEU A 144 25.265 25.111 -35.522 1.00 62.04 C ATOM 1221 CD1 LEU A 144 25.433 26.230 -36.538 1.00 42.11 C ATOM 1222 CD2 LEU A 144 25.394 25.651 -34.105 1.00 54.33 C ATOM 0 H LEU A 144 21.710 23.391 -35.284 1.00 51.52 H new ATOM 0 HA LEU A 144 22.876 25.861 -34.509 1.00 34.24 H new ATOM 0 HB2 LEU A 144 23.903 23.521 -35.083 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.847 24.075 -36.744 1.00 61.43 H new ATOM 0 HG LEU A 144 26.057 24.379 -35.684 1.00 62.04 H new ATOM 0 HD11 LEU A 144 26.397 26.716 -36.388 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.387 25.817 -37.546 1.00 42.11 H new ATOM 0 HD13 LEU A 144 24.635 26.961 -36.409 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.359 26.145 -33.990 1.00 54.33 H new ATOM 0 HD22 LEU A 144 24.595 26.367 -33.914 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.321 24.828 -33.394 1.00 54.33 H new ATOM 1234 N GLN A 145 21.826 25.601 -37.632 1.00 51.00 N ATOM 1235 CA GLN A 145 21.473 26.376 -38.816 1.00 12.25 C ATOM 1236 C GLN A 145 19.982 26.700 -38.832 1.00 12.51 C ATOM 1237 O GLN A 145 19.366 26.780 -39.893 1.00 14.40 O ATOM 1238 CB GLN A 145 21.854 25.610 -40.084 1.00 54.30 C ATOM 1239 CG GLN A 145 23.274 25.069 -40.064 1.00 44.02 C ATOM 1240 CD GLN A 145 23.322 23.564 -39.875 1.00 45.43 C ATOM 1241 OE1 GLN A 145 24.161 23.111 -38.952 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 22.611 22.819 -40.550 1.00 40.43 N flip ATOM 0 H GLN A 145 21.630 24.603 -37.707 1.00 51.00 H new ATOM 0 HA GLN A 145 22.029 27.313 -38.784 1.00 12.25 H new ATOM 0 HB2 GLN A 145 21.160 24.781 -40.220 1.00 54.30 H new ATOM 0 HB3 GLN A 145 21.737 26.268 -40.945 1.00 54.30 H new ATOM 0 HG2 GLN A 145 23.772 25.330 -40.998 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.831 25.550 -39.260 1.00 44.02 H new ATOM 0 HE21 GLN A 145 21.980 23.211 -41.249 1.00 40.43 H new ATOM 0 HE22 GLN A 145 22.653 21.809 -40.410 1.00 40.43 H new ATOM 1251 N ALA A 146 19.410 26.883 -37.646 1.00 25.41 N ATOM 1252 CA ALA A 146 17.992 27.199 -37.524 1.00 61.13 C ATOM 1253 C ALA A 146 17.760 28.706 -37.569 1.00 43.10 C ATOM 1254 O ALA A 146 18.467 29.474 -36.915 1.00 53.12 O ATOM 1255 CB ALA A 146 17.430 26.616 -36.236 1.00 73.03 C ATOM 0 H ALA A 146 19.906 26.818 -36.757 1.00 25.41 H new ATOM 0 HA ALA A 146 17.471 26.751 -38.370 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.370 26.860 -36.158 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.554 25.533 -36.242 1.00 73.03 H new ATOM 0 HB3 ALA A 146 17.963 27.037 -35.383 1.00 73.03 H new ATOM 1261 N LEU A 147 16.765 29.124 -38.344 1.00 64.13 N ATOM 1262 CA LEU A 147 16.440 30.540 -38.474 1.00 53.53 C ATOM 1263 C LEU A 147 15.283 30.920 -37.556 1.00 25.45 C ATOM 1264 O LEU A 147 14.214 30.320 -37.654 1.00 52.04 O ATOM 1265 CB LEU A 147 16.083 30.870 -39.925 1.00 12.24 C ATOM 1266 CG LEU A 147 17.101 30.437 -40.982 1.00 10.30 C ATOM 1267 CD1 LEU A 147 16.857 28.996 -41.401 1.00 75.04 C ATOM 1268 CD2 LEU A 147 17.044 31.363 -42.188 1.00 34.23 C ATOM 0 H LEU A 147 16.170 28.503 -38.892 1.00 64.13 H new ATOM 0 HA LEU A 147 17.317 31.117 -38.181 1.00 53.53 H new ATOM 0 HB2 LEU A 147 15.126 30.403 -40.158 1.00 12.24 H new ATOM 0 HB3 LEU A 147 15.940 31.947 -40.007 1.00 12.24 H new ATOM 0 HG LEU A 147 18.098 30.502 -40.546 1.00 10.30 H new ATOM 0 HD11 LEU A 147 17.591 28.707 -42.153 1.00 75.04 H new ATOM 0 HD12 LEU A 147 16.951 28.344 -40.533 1.00 75.04 H new ATOM 0 HD13 LEU A 147 15.854 28.903 -41.818 1.00 75.04 H new ATOM 0 HD21 LEU A 147 17.775 31.040 -42.930 1.00 34.23 H new ATOM 0 HD22 LEU A 147 16.046 31.331 -42.624 1.00 34.23 H new ATOM 0 HD23 LEU A 147 17.271 32.382 -41.875 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 91.142 51.667 -2.704 1.00 21.13 N ATOM 1282 CA HIS B 518 90.435 51.134 -1.546 1.00 35.22 C ATOM 1283 C HIS B 518 89.592 49.922 -1.933 1.00 35.13 C ATOM 1284 O HIS B 518 89.591 49.500 -3.089 1.00 13.03 O ATOM 1285 CB HIS B 518 89.545 52.211 -0.925 1.00 50.40 C ATOM 1286 CG HIS B 518 88.656 52.897 -1.915 1.00 11.31 C ATOM 1287 ND1 HIS B 518 88.752 54.241 -2.210 1.00 51.44 N ATOM 1288 CD2 HIS B 518 87.650 52.417 -2.683 1.00 52.22 C ATOM 1289 CE1 HIS B 518 87.843 54.558 -3.114 1.00 51.12 C ATOM 1290 NE2 HIS B 518 87.162 53.468 -3.419 1.00 12.11 N ATOM 0 HA HIS B 518 91.177 50.819 -0.813 1.00 35.22 H new ATOM 0 HB2 HIS B 518 88.929 51.758 -0.148 1.00 50.40 H new ATOM 0 HB3 HIS B 518 90.175 52.955 -0.438 1.00 50.40 H new ATOM 0 HD2 HIS B 518 87.297 51.397 -2.711 1.00 52.22 H new ATOM 0 HE1 HIS B 518 87.684 55.541 -3.533 1.00 51.12 H new ATOM 0 HE2 HIS B 518 86.398 53.416 -4.092 1.00 12.11 H new ATOM 1299 N MET B 519 88.879 49.367 -0.958 1.00 20.22 N ATOM 1300 CA MET B 519 88.032 48.203 -1.199 1.00 45.23 C ATOM 1301 C MET B 519 86.560 48.601 -1.237 1.00 50.30 C ATOM 1302 O MET B 519 86.213 49.754 -0.983 1.00 40.52 O ATOM 1303 CB MET B 519 88.260 47.148 -0.115 1.00 3.13 C ATOM 1304 CG MET B 519 89.721 46.773 0.070 1.00 31.34 C ATOM 1305 SD MET B 519 89.940 45.333 1.135 1.00 5.43 S ATOM 1306 CE MET B 519 91.478 44.672 0.500 1.00 34.34 C ATOM 0 H MET B 519 88.870 49.703 0.005 1.00 20.22 H new ATOM 0 HA MET B 519 88.301 47.782 -2.168 1.00 45.23 H new ATOM 0 HB2 MET B 519 87.866 47.520 0.831 1.00 3.13 H new ATOM 0 HB3 MET B 519 87.692 46.252 -0.366 1.00 3.13 H new ATOM 0 HG2 MET B 519 90.166 46.571 -0.904 1.00 31.34 H new ATOM 0 HG3 MET B 519 90.258 47.620 0.496 1.00 31.34 H new ATOM 0 HE1 MET B 519 91.747 43.776 1.059 1.00 34.34 H new ATOM 0 HE2 MET B 519 91.358 44.420 -0.554 1.00 34.34 H new ATOM 0 HE3 MET B 519 92.266 45.417 0.608 1.00 34.34 H new ATOM 1316 N ASP B 520 85.701 47.640 -1.556 1.00 74.23 N ATOM 1317 CA ASP B 520 84.266 47.890 -1.626 1.00 31.44 C ATOM 1318 C ASP B 520 83.646 47.895 -0.233 1.00 44.32 C ATOM 1319 O ASP B 520 84.211 47.369 0.726 1.00 1.42 O ATOM 1320 CB ASP B 520 83.585 46.833 -2.498 1.00 25.13 C ATOM 1321 CG ASP B 520 83.558 47.220 -3.964 1.00 32.35 C ATOM 1322 OD1 ASP B 520 82.685 46.711 -4.697 1.00 72.23 O ATOM 1323 OD2 ASP B 520 84.411 48.034 -4.377 1.00 3.02 O1- ATOM 0 H ASP B 520 85.973 46.681 -1.770 1.00 74.23 H new ATOM 0 HA ASP B 520 84.115 48.872 -2.074 1.00 31.44 H new ATOM 0 HB2 ASP B 520 84.107 45.883 -2.386 1.00 25.13 H new ATOM 0 HB3 ASP B 520 82.565 46.679 -2.147 1.00 25.13 H new ATOM 1328 N PRO B 521 82.457 48.503 -0.116 1.00 54.32 N ATOM 1329 CA PRO B 521 81.735 48.592 1.157 1.00 73.43 C ATOM 1330 C PRO B 521 81.197 47.241 1.613 1.00 14.40 C ATOM 1331 O PRO B 521 81.373 46.848 2.768 1.00 3.11 O ATOM 1332 CB PRO B 521 80.581 49.549 0.844 1.00 34.25 C ATOM 1333 CG PRO B 521 80.369 49.418 -0.625 1.00 74.43 C ATOM 1334 CD PRO B 521 81.726 49.152 -1.217 1.00 2.40 C ATOM 0 HA PRO B 521 82.379 48.930 1.969 1.00 73.43 H new ATOM 0 HB2 PRO B 521 79.682 49.281 1.399 1.00 34.25 H new ATOM 0 HB3 PRO B 521 80.831 50.574 1.118 1.00 34.25 H new ATOM 0 HG2 PRO B 521 79.679 48.604 -0.849 1.00 74.43 H new ATOM 0 HG3 PRO B 521 79.934 50.328 -1.039 1.00 74.43 H new ATOM 0 HD2 PRO B 521 81.663 48.506 -2.093 1.00 2.40 H new ATOM 0 HD3 PRO B 521 82.213 50.074 -1.535 1.00 2.40 H new ATOM 1342 N LEU B 522 80.542 46.531 0.702 1.00 1.11 N ATOM 1343 CA LEU B 522 79.979 45.222 1.011 1.00 75.22 C ATOM 1344 C LEU B 522 79.451 44.544 -0.249 1.00 30.33 C ATOM 1345 O LEU B 522 79.505 45.111 -1.342 1.00 4.43 O ATOM 1346 CB LEU B 522 78.854 45.358 2.039 1.00 22.31 C ATOM 1347 CG LEU B 522 77.600 46.095 1.567 1.00 23.42 C ATOM 1348 CD1 LEU B 522 76.550 45.105 1.084 1.00 31.54 C ATOM 1349 CD2 LEU B 522 77.040 46.965 2.683 1.00 64.43 C ATOM 0 H LEU B 522 80.388 46.840 -0.258 1.00 1.11 H new ATOM 0 HA LEU B 522 80.773 44.603 1.429 1.00 75.22 H new ATOM 0 HB2 LEU B 522 78.563 44.359 2.364 1.00 22.31 H new ATOM 0 HB3 LEU B 522 79.248 45.876 2.913 1.00 22.31 H new ATOM 0 HG LEU B 522 77.874 46.741 0.733 1.00 23.42 H new ATOM 0 HD11 LEU B 522 75.664 45.647 0.752 1.00 31.54 H new ATOM 0 HD12 LEU B 522 76.952 44.524 0.254 1.00 31.54 H new ATOM 0 HD13 LEU B 522 76.280 44.434 1.900 1.00 31.54 H new ATOM 0 HD21 LEU B 522 76.148 47.482 2.329 1.00 64.43 H new ATOM 0 HD22 LEU B 522 76.782 46.339 3.537 1.00 64.43 H new ATOM 0 HD23 LEU B 522 77.789 47.698 2.983 1.00 64.43 H new ATOM 1361 N THR B 523 78.939 43.327 -0.092 1.00 53.05 N ATOM 1362 CA THR B 523 78.401 42.572 -1.216 1.00 40.25 C ATOM 1363 C THR B 523 76.889 42.414 -1.098 1.00 12.10 C ATOM 1364 O THR B 523 76.385 41.528 -0.406 1.00 20.21 O ATOM 1365 CB THR B 523 79.046 41.177 -1.316 1.00 32.04 C ATOM 1366 OG1 THR B 523 78.332 40.374 -2.262 1.00 63.35 O ATOM 1367 CG2 THR B 523 79.054 40.486 0.039 1.00 73.11 C ATOM 0 H THR B 523 78.886 42.843 0.804 1.00 53.05 H new ATOM 0 HA THR B 523 78.635 43.137 -2.118 1.00 40.25 H new ATOM 0 HB THR B 523 80.076 41.301 -1.649 1.00 32.04 H new ATOM 0 HG1 THR B 523 78.749 39.489 -2.321 1.00 63.35 H new ATOM 0 HG21 THR B 523 79.514 39.503 -0.057 1.00 73.11 H new ATOM 0 HG22 THR B 523 79.623 41.085 0.750 1.00 73.11 H new ATOM 0 HG23 THR B 523 78.030 40.374 0.396 1.00 73.11 H new ATOM 1375 N PRO B 524 76.146 43.290 -1.791 1.00 61.23 N ATOM 1376 CA PRO B 524 74.680 43.266 -1.780 1.00 21.31 C ATOM 1377 C PRO B 524 74.115 42.056 -2.516 1.00 11.10 C ATOM 1378 O PRO B 524 74.815 41.409 -3.296 1.00 65.14 O ATOM 1379 CB PRO B 524 74.300 44.558 -2.506 1.00 71.15 C ATOM 1380 CG PRO B 524 75.467 44.861 -3.379 1.00 14.31 C ATOM 1381 CD PRO B 524 76.679 44.371 -2.636 1.00 21.34 C ATOM 0 HA PRO B 524 74.281 43.195 -0.768 1.00 21.31 H new ATOM 0 HB2 PRO B 524 73.390 44.429 -3.092 1.00 71.15 H new ATOM 0 HB3 PRO B 524 74.113 45.368 -1.801 1.00 71.15 H new ATOM 0 HG2 PRO B 524 75.373 44.362 -4.344 1.00 14.31 H new ATOM 0 HG3 PRO B 524 75.538 45.930 -3.579 1.00 14.31 H new ATOM 0 HD2 PRO B 524 77.448 44.007 -3.317 1.00 21.34 H new ATOM 0 HD3 PRO B 524 77.131 45.162 -2.038 1.00 21.34 H new ATOM 1389 N ASP B 525 72.846 41.755 -2.264 1.00 31.30 N ATOM 1390 CA ASP B 525 72.186 40.624 -2.904 1.00 51.41 C ATOM 1391 C ASP B 525 70.903 41.066 -3.603 1.00 61.44 C ATOM 1392 O ASP B 525 70.191 41.942 -3.115 1.00 70.22 O ATOM 1393 CB ASP B 525 71.872 39.539 -1.873 1.00 53.22 C ATOM 1394 CG ASP B 525 70.795 39.966 -0.894 1.00 74.23 C ATOM 1395 OD1 ASP B 525 71.147 40.450 0.202 1.00 15.03 O ATOM 1396 OD2 ASP B 525 69.600 39.816 -1.224 1.00 4.21 O1- ATOM 0 H ASP B 525 72.254 42.279 -1.620 1.00 31.30 H new ATOM 0 HA ASP B 525 72.864 40.217 -3.654 1.00 51.41 H new ATOM 0 HB2 ASP B 525 71.552 38.633 -2.389 1.00 53.22 H new ATOM 0 HB3 ASP B 525 72.780 39.290 -1.324 1.00 53.22 H new ATOM 1401 N ALA B 526 70.618 40.454 -4.748 1.00 64.40 N ATOM 1402 CA ALA B 526 69.422 40.783 -5.513 1.00 74.21 C ATOM 1403 C ALA B 526 69.292 39.889 -6.741 1.00 60.43 C ATOM 1404 O ALA B 526 70.185 39.096 -7.040 1.00 3.51 O ATOM 1405 CB ALA B 526 69.446 42.248 -5.924 1.00 22.02 C ATOM 0 H ALA B 526 71.199 39.728 -5.166 1.00 64.40 H new ATOM 0 HA ALA B 526 68.554 40.609 -4.877 1.00 74.21 H new ATOM 0 HB1 ALA B 526 68.547 42.481 -6.495 1.00 22.02 H new ATOM 0 HB2 ALA B 526 69.483 42.875 -5.033 1.00 22.02 H new ATOM 0 HB3 ALA B 526 70.326 42.439 -6.539 1.00 22.02 H new ATOM 1411 N SER B 527 68.175 40.022 -7.448 1.00 22.23 N ATOM 1412 CA SER B 527 67.926 39.222 -8.642 1.00 10.42 C ATOM 1413 C SER B 527 68.485 39.911 -9.883 1.00 55.23 C ATOM 1414 O SER B 527 68.958 41.046 -9.816 1.00 74.31 O ATOM 1415 CB SER B 527 66.426 38.976 -8.813 1.00 54.03 C ATOM 1416 OG SER B 527 65.849 38.493 -7.613 1.00 33.11 O ATOM 0 H SER B 527 67.428 40.676 -7.215 1.00 22.23 H new ATOM 0 HA SER B 527 68.432 38.264 -8.520 1.00 10.42 H new ATOM 0 HB2 SER B 527 65.934 39.902 -9.110 1.00 54.03 H new ATOM 0 HB3 SER B 527 66.261 38.256 -9.615 1.00 54.03 H new ATOM 0 HG SER B 527 64.890 38.345 -7.748 1.00 33.11 H new ATOM 1422 N GLU B 528 68.426 39.217 -11.015 1.00 34.44 N ATOM 1423 CA GLU B 528 68.927 39.760 -12.271 1.00 70.03 C ATOM 1424 C GLU B 528 68.485 38.899 -13.452 1.00 45.40 C ATOM 1425 O GLU B 528 68.714 37.690 -13.472 1.00 23.21 O ATOM 1426 CB GLU B 528 70.454 39.856 -12.240 1.00 24.51 C ATOM 1427 CG GLU B 528 71.000 41.105 -12.909 1.00 63.11 C ATOM 1428 CD GLU B 528 72.315 41.562 -12.308 1.00 25.14 C ATOM 1429 OE1 GLU B 528 73.375 41.095 -12.774 1.00 15.45 O ATOM 1430 OE2 GLU B 528 72.283 42.388 -11.371 1.00 52.05 O1- ATOM 0 H GLU B 528 68.036 38.277 -11.088 1.00 34.44 H new ATOM 0 HA GLU B 528 68.510 40.759 -12.395 1.00 70.03 H new ATOM 0 HB2 GLU B 528 70.790 39.833 -11.203 1.00 24.51 H new ATOM 0 HB3 GLU B 528 70.875 38.978 -12.731 1.00 24.51 H new ATOM 0 HG2 GLU B 528 71.139 40.912 -13.973 1.00 63.11 H new ATOM 0 HG3 GLU B 528 70.268 41.908 -12.824 1.00 63.11 H new ATOM 1437 N SER B 529 67.851 39.533 -14.433 1.00 24.10 N ATOM 1438 CA SER B 529 67.372 38.825 -15.615 1.00 74.23 C ATOM 1439 C SER B 529 66.559 37.596 -15.220 1.00 3.40 C ATOM 1440 O SER B 529 66.549 36.590 -15.929 1.00 61.24 O ATOM 1441 CB SER B 529 68.550 38.410 -16.498 1.00 63.34 C ATOM 1442 OG SER B 529 68.144 38.247 -17.846 1.00 34.34 O ATOM 0 H SER B 529 67.657 40.534 -14.433 1.00 24.10 H new ATOM 0 HA SER B 529 66.726 39.500 -16.177 1.00 74.23 H new ATOM 0 HB2 SER B 529 69.335 39.164 -16.440 1.00 63.34 H new ATOM 0 HB3 SER B 529 68.975 37.477 -16.128 1.00 63.34 H new ATOM 0 HG SER B 529 67.403 37.607 -17.889 1.00 34.34 H new ATOM 1448 N VAL B 530 65.877 37.686 -14.083 1.00 34.03 N ATOM 1449 CA VAL B 530 65.059 36.582 -13.594 1.00 72.15 C ATOM 1450 C VAL B 530 63.613 36.723 -14.055 1.00 13.35 C ATOM 1451 O VAL B 530 63.065 37.823 -14.087 1.00 62.34 O ATOM 1452 CB VAL B 530 65.089 36.501 -12.055 1.00 51.23 C ATOM 1453 CG1 VAL B 530 64.392 37.707 -11.443 1.00 75.24 C ATOM 1454 CG2 VAL B 530 64.451 35.206 -11.578 1.00 2.14 C ATOM 0 H VAL B 530 65.874 38.511 -13.483 1.00 34.03 H new ATOM 0 HA VAL B 530 65.482 35.667 -14.008 1.00 72.15 H new ATOM 0 HB VAL B 530 66.129 36.509 -11.728 1.00 51.23 H new ATOM 0 HG11 VAL B 530 64.423 37.632 -10.356 1.00 75.24 H new ATOM 0 HG12 VAL B 530 64.899 38.619 -11.759 1.00 75.24 H new ATOM 0 HG13 VAL B 530 63.354 37.735 -11.775 1.00 75.24 H new ATOM 0 HG21 VAL B 530 64.481 35.165 -10.489 1.00 2.14 H new ATOM 0 HG22 VAL B 530 63.415 35.165 -11.915 1.00 2.14 H new ATOM 0 HG23 VAL B 530 64.999 34.358 -11.988 1.00 2.14 H new ATOM 1464 N ASN B 531 63.000 35.599 -14.413 1.00 50.32 N ATOM 1465 CA ASN B 531 61.617 35.596 -14.873 1.00 54.32 C ATOM 1466 C ASN B 531 61.029 34.189 -14.823 1.00 34.52 C ATOM 1467 O ASN B 531 61.722 33.227 -14.493 1.00 34.23 O ATOM 1468 CB ASN B 531 61.531 36.145 -16.300 1.00 1.55 C ATOM 1469 CG ASN B 531 61.340 37.650 -16.328 1.00 54.25 C ATOM 1470 OD1 ASN B 531 60.328 38.167 -15.855 1.00 63.14 O ATOM 1471 ND2 ASN B 531 62.315 38.359 -16.886 1.00 21.12 N ATOM 0 H ASN B 531 63.440 34.679 -14.393 1.00 50.32 H new ATOM 0 HA ASN B 531 61.038 36.237 -14.208 1.00 54.32 H new ATOM 0 HB2 ASN B 531 62.441 35.886 -16.842 1.00 1.55 H new ATOM 0 HB3 ASN B 531 60.702 35.666 -16.822 1.00 1.55 H new ATOM 0 HD21 ASN B 531 62.243 39.375 -16.935 1.00 21.12 H new ATOM 0 HD22 ASN B 531 63.136 37.887 -17.265 1.00 21.12 H new ATOM 1478 N ASN B 532 59.747 34.077 -15.153 1.00 22.22 N ATOM 1479 CA ASN B 532 59.066 32.787 -15.145 1.00 1.42 C ATOM 1480 C ASN B 532 57.794 32.839 -15.987 1.00 44.13 C ATOM 1481 O ASN B 532 57.241 33.912 -16.230 1.00 32.50 O ATOM 1482 CB ASN B 532 58.725 32.376 -13.711 1.00 52.44 C ATOM 1483 CG ASN B 532 58.496 30.882 -13.577 1.00 72.53 C ATOM 1484 OD1 ASN B 532 59.440 30.094 -13.607 1.00 72.51 O ATOM 1485 ND2 ASN B 532 57.236 30.488 -13.428 1.00 42.51 N ATOM 0 H ASN B 532 59.159 34.863 -15.429 1.00 22.22 H new ATOM 0 HA ASN B 532 59.738 32.046 -15.578 1.00 1.42 H new ATOM 0 HB2 ASN B 532 59.535 32.678 -13.047 1.00 52.44 H new ATOM 0 HB3 ASN B 532 57.831 32.909 -13.386 1.00 52.44 H new ATOM 0 HD21 ASN B 532 57.020 29.496 -13.333 1.00 42.51 H new ATOM 0 HD22 ASN B 532 56.485 31.178 -13.409 1.00 42.51 H new ATOM 1492 N ILE B 533 57.336 31.672 -16.428 1.00 4.31 N ATOM 1493 CA ILE B 533 56.129 31.583 -17.242 1.00 60.32 C ATOM 1494 C ILE B 533 55.521 30.187 -17.172 1.00 54.13 C ATOM 1495 O ILE B 533 56.187 29.226 -16.786 1.00 12.31 O ATOM 1496 CB ILE B 533 56.415 31.935 -18.713 1.00 51.21 C ATOM 1497 CG1 ILE B 533 57.806 31.441 -19.117 1.00 70.53 C ATOM 1498 CG2 ILE B 533 56.296 33.437 -18.932 1.00 41.24 C ATOM 1499 CD1 ILE B 533 57.989 29.950 -18.949 1.00 11.24 C ATOM 0 H ILE B 533 57.782 30.775 -16.236 1.00 4.31 H new ATOM 0 HA ILE B 533 55.420 32.305 -16.837 1.00 60.32 H new ATOM 0 HB ILE B 533 55.676 31.437 -19.341 1.00 51.21 H new ATOM 0 HG12 ILE B 533 57.989 31.706 -20.158 1.00 70.53 H new ATOM 0 HG13 ILE B 533 58.555 31.961 -18.519 1.00 70.53 H new ATOM 0 HG21 ILE B 533 56.501 33.670 -19.977 1.00 41.24 H new ATOM 0 HG22 ILE B 533 55.287 33.763 -18.679 1.00 41.24 H new ATOM 0 HG23 ILE B 533 57.015 33.955 -18.297 1.00 41.24 H new ATOM 0 HD11 ILE B 533 58.997 29.671 -19.254 1.00 11.24 H new ATOM 0 HD12 ILE B 533 57.838 29.680 -17.904 1.00 11.24 H new ATOM 0 HD13 ILE B 533 57.263 29.422 -19.568 1.00 11.24 H new ATOM 1511 N LEU B 534 54.253 30.081 -17.553 1.00 4.44 N ATOM 1512 CA LEU B 534 53.553 28.801 -17.537 1.00 61.11 C ATOM 1513 C LEU B 534 53.909 27.971 -18.767 1.00 32.54 C ATOM 1514 O LEU B 534 54.433 28.493 -19.750 1.00 62.31 O ATOM 1515 CB LEU B 534 52.041 29.023 -17.477 1.00 2.04 C ATOM 1516 CG LEU B 534 51.358 29.351 -18.806 1.00 60.34 C ATOM 1517 CD1 LEU B 534 50.886 28.079 -19.491 1.00 34.13 C ATOM 1518 CD2 LEU B 534 50.194 30.306 -18.585 1.00 61.30 C ATOM 0 H LEU B 534 53.688 30.866 -17.877 1.00 4.44 H new ATOM 0 HA LEU B 534 53.868 28.254 -16.648 1.00 61.11 H new ATOM 0 HB2 LEU B 534 51.578 28.126 -17.065 1.00 2.04 H new ATOM 0 HB3 LEU B 534 51.840 29.835 -16.778 1.00 2.04 H new ATOM 0 HG LEU B 534 52.084 29.840 -19.456 1.00 60.34 H new ATOM 0 HD11 LEU B 534 50.403 28.332 -20.435 1.00 34.13 H new ATOM 0 HD12 LEU B 534 51.741 27.431 -19.683 1.00 34.13 H new ATOM 0 HD13 LEU B 534 50.176 27.561 -18.847 1.00 34.13 H new ATOM 0 HD21 LEU B 534 49.720 30.529 -19.541 1.00 61.30 H new ATOM 0 HD22 LEU B 534 49.466 29.844 -17.917 1.00 61.30 H new ATOM 0 HD23 LEU B 534 50.561 31.230 -18.138 1.00 61.30 H new ATOM 1530 N LYS B 535 53.618 26.676 -18.704 1.00 14.02 N ATOM 1531 CA LYS B 535 53.903 25.774 -19.813 1.00 64.31 C ATOM 1532 C LYS B 535 52.771 24.768 -20.000 1.00 72.41 C ATOM 1533 O LYS B 535 52.407 24.050 -19.069 1.00 14.31 O ATOM 1534 CB LYS B 535 55.221 25.034 -19.570 1.00 54.24 C ATOM 1535 CG LYS B 535 56.447 25.922 -19.692 1.00 50.42 C ATOM 1536 CD LYS B 535 56.963 25.967 -21.120 1.00 13.13 C ATOM 1537 CE LYS B 535 57.855 24.773 -21.429 1.00 52.33 C ATOM 1538 NZ LYS B 535 59.248 24.982 -20.946 1.00 62.51 N1+ ATOM 0 H LYS B 535 53.185 26.228 -17.896 1.00 14.02 H new ATOM 0 HA LYS B 535 53.990 26.371 -20.721 1.00 64.31 H new ATOM 0 HB2 LYS B 535 55.201 24.591 -18.574 1.00 54.24 H new ATOM 0 HB3 LYS B 535 55.304 24.213 -20.283 1.00 54.24 H new ATOM 0 HG2 LYS B 535 56.201 26.931 -19.361 1.00 50.42 H new ATOM 0 HG3 LYS B 535 57.232 25.553 -19.032 1.00 50.42 H new ATOM 0 HD2 LYS B 535 56.121 25.982 -21.812 1.00 13.13 H new ATOM 0 HD3 LYS B 535 57.521 26.890 -21.277 1.00 13.13 H new ATOM 0 HE2 LYS B 535 57.440 23.879 -20.964 1.00 52.33 H new ATOM 0 HE3 LYS B 535 57.866 24.597 -22.505 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 59.824 24.147 -21.175 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 59.654 25.820 -21.409 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 59.240 25.125 -19.916 1.00 62.51 H new ATOM 1552 N GLN B 536 52.221 24.721 -21.210 1.00 24.12 N ATOM 1553 CA GLN B 536 51.132 23.802 -21.517 1.00 22.34 C ATOM 1554 C GLN B 536 51.136 23.429 -22.996 1.00 62.32 C ATOM 1555 O GLN B 536 51.522 24.229 -23.848 1.00 50.41 O ATOM 1556 CB GLN B 536 49.787 24.428 -21.142 1.00 51.31 C ATOM 1557 CG GLN B 536 49.627 24.676 -19.651 1.00 35.41 C ATOM 1558 CD GLN B 536 48.189 24.955 -19.257 1.00 30.51 C ATOM 1559 OE1 GLN B 536 47.485 25.710 -19.929 1.00 45.21 O ATOM 1560 NE2 GLN B 536 47.747 24.346 -18.164 1.00 61.41 N ATOM 0 H GLN B 536 52.512 25.308 -21.992 1.00 24.12 H new ATOM 0 HA GLN B 536 51.279 22.895 -20.931 1.00 22.34 H new ATOM 0 HB2 GLN B 536 49.675 25.373 -21.673 1.00 51.31 H new ATOM 0 HB3 GLN B 536 48.984 23.774 -21.482 1.00 51.31 H new ATOM 0 HG2 GLN B 536 49.988 23.807 -19.101 1.00 35.41 H new ATOM 0 HG3 GLN B 536 50.251 25.521 -19.358 1.00 35.41 H new ATOM 0 HE21 GLN B 536 48.366 23.729 -17.638 1.00 61.41 H new ATOM 0 HE22 GLN B 536 46.788 24.495 -17.849 1.00 61.41 H new ATOM 1569 N SER B 537 50.707 22.206 -23.294 1.00 14.31 N ATOM 1570 CA SER B 537 50.667 21.725 -24.669 1.00 14.23 C ATOM 1571 C SER B 537 49.713 20.541 -24.802 1.00 74.01 C ATOM 1572 O SER B 537 49.140 20.076 -23.817 1.00 11.11 O ATOM 1573 CB SER B 537 52.067 21.319 -25.132 1.00 13.52 C ATOM 1574 OG SER B 537 53.033 22.275 -24.729 1.00 64.54 O ATOM 0 H SER B 537 50.383 21.531 -22.601 1.00 14.31 H new ATOM 0 HA SER B 537 50.305 22.536 -25.301 1.00 14.23 H new ATOM 0 HB2 SER B 537 52.322 20.343 -24.719 1.00 13.52 H new ATOM 0 HB3 SER B 537 52.080 21.219 -26.217 1.00 13.52 H new ATOM 0 HG SER B 537 52.620 23.163 -24.696 1.00 64.54 H new ATOM 1580 N GLY B 538 49.547 20.057 -26.030 1.00 40.34 N ATOM 1581 CA GLY B 538 48.663 18.932 -26.271 1.00 13.30 C ATOM 1582 C GLY B 538 47.766 19.147 -27.474 1.00 44.23 C ATOM 1583 O GLY B 538 47.266 20.249 -27.695 1.00 4.52 O ATOM 0 H GLY B 538 50.009 20.424 -26.862 1.00 40.34 H new ATOM 0 HA2 GLY B 538 49.259 18.032 -26.422 1.00 13.30 H new ATOM 0 HA3 GLY B 538 48.047 18.762 -25.388 1.00 13.30 H new ATOM 1587 N ALA B 539 47.565 18.091 -28.257 1.00 15.34 N ATOM 1588 CA ALA B 539 46.723 18.169 -29.444 1.00 61.14 C ATOM 1589 C ALA B 539 46.539 16.795 -30.077 1.00 52.01 C ATOM 1590 O ALA B 539 47.221 15.836 -29.712 1.00 53.15 O ATOM 1591 CB ALA B 539 47.320 19.141 -30.451 1.00 63.32 C ATOM 0 H ALA B 539 47.974 17.172 -28.090 1.00 15.34 H new ATOM 0 HA ALA B 539 45.742 18.534 -29.141 1.00 61.14 H new ATOM 0 HB1 ALA B 539 46.681 19.190 -31.333 1.00 63.32 H new ATOM 0 HB2 ALA B 539 47.394 20.131 -30.001 1.00 63.32 H new ATOM 0 HB3 ALA B 539 48.314 18.800 -30.741 1.00 63.32 H new ATOM 1597 N TRP B 540 45.614 16.705 -31.026 1.00 64.23 N ATOM 1598 CA TRP B 540 45.341 15.446 -31.710 1.00 74.22 C ATOM 1599 C TRP B 540 44.969 15.688 -33.168 1.00 14.34 C ATOM 1600 O TRP B 540 44.985 16.824 -33.642 1.00 54.13 O ATOM 1601 CB TRP B 540 44.213 14.692 -31.001 1.00 74.04 C ATOM 1602 CG TRP B 540 44.361 14.664 -29.511 1.00 15.41 C ATOM 1603 CD1 TRP B 540 43.843 15.558 -28.618 1.00 11.20 C ATOM 1604 CD2 TRP B 540 45.077 13.694 -28.739 1.00 44.12 C ATOM 1605 NE1 TRP B 540 44.194 15.203 -27.339 1.00 30.21 N ATOM 1606 CE2 TRP B 540 44.951 14.062 -27.386 1.00 22.41 C ATOM 1607 CE3 TRP B 540 45.812 12.549 -29.060 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 45.532 13.326 -26.356 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 46.390 11.820 -28.038 1.00 24.52 C ATOM 1610 CH2 TRP B 540 46.246 12.210 -26.699 1.00 22.11 C ATOM 0 H TRP B 540 45.041 17.488 -31.339 1.00 64.23 H new ATOM 0 HA TRP B 540 46.247 14.841 -31.682 1.00 74.22 H new ATOM 0 HB2 TRP B 540 43.260 15.156 -31.255 1.00 74.04 H new ATOM 0 HB3 TRP B 540 44.179 13.669 -31.375 1.00 74.04 H new ATOM 0 HD1 TRP B 540 43.245 16.418 -28.880 1.00 11.20 H new ATOM 0 HE1 TRP B 540 43.933 15.707 -26.491 1.00 30.21 H new ATOM 0 HE3 TRP B 540 45.926 12.240 -30.088 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 45.423 13.625 -25.324 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 46.962 10.935 -28.275 1.00 24.52 H new ATOM 0 HH2 TRP B 540 46.708 11.618 -25.923 1.00 22.11 H new ATOM 1621 N SER B 541 44.637 14.613 -33.876 1.00 34.54 N ATOM 1622 CA SER B 541 44.265 14.709 -35.283 1.00 2.20 C ATOM 1623 C SER B 541 43.875 13.342 -35.837 1.00 32.22 C ATOM 1624 O SER B 541 44.242 12.308 -35.281 1.00 42.44 O ATOM 1625 CB SER B 541 45.421 15.292 -36.099 1.00 3.02 C ATOM 1626 OG SER B 541 45.299 14.954 -37.469 1.00 54.44 O ATOM 0 H SER B 541 44.618 13.666 -33.498 1.00 34.54 H new ATOM 0 HA SER B 541 43.403 15.372 -35.361 1.00 2.20 H new ATOM 0 HB2 SER B 541 45.438 16.376 -35.989 1.00 3.02 H new ATOM 0 HB3 SER B 541 46.369 14.918 -35.712 1.00 3.02 H new ATOM 0 HG SER B 541 46.048 15.340 -37.969 1.00 54.44 H new ATOM 1632 N GLY B 542 43.129 13.347 -36.937 1.00 4.53 N ATOM 1633 CA GLY B 542 42.701 12.102 -37.548 1.00 64.24 C ATOM 1634 C GLY B 542 41.367 11.622 -37.013 1.00 5.44 C ATOM 1635 O GLY B 542 40.326 11.847 -37.630 1.00 43.23 O ATOM 0 H GLY B 542 42.813 14.190 -37.416 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.629 12.237 -38.627 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.456 11.336 -37.372 1.00 64.24 H new ATOM 1639 N ASP B 543 41.397 10.958 -35.863 1.00 11.14 N ATOM 1640 CA ASP B 543 40.181 10.443 -35.244 1.00 52.52 C ATOM 1641 C ASP B 543 39.569 11.478 -34.305 1.00 13.13 C ATOM 1642 O ASP B 543 38.351 11.534 -34.136 1.00 20.02 O ATOM 1643 CB ASP B 543 40.479 9.154 -34.478 1.00 25.25 C ATOM 1644 CG ASP B 543 41.044 8.067 -35.371 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.454 7.813 -36.442 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.074 7.468 -34.998 1.00 51.20 O1- ATOM 0 H ASP B 543 42.251 10.763 -35.340 1.00 11.14 H new ATOM 0 HA ASP B 543 39.463 10.228 -36.036 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.187 9.366 -33.677 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.564 8.794 -34.008 1.00 25.25 H new ATOM 1651 N ASP B 544 40.422 12.295 -33.697 1.00 15.42 N ATOM 1652 CA ASP B 544 39.965 13.328 -32.775 1.00 51.14 C ATOM 1653 C ASP B 544 38.820 14.131 -33.382 1.00 4.23 C ATOM 1654 O ASP B 544 37.931 14.601 -32.672 1.00 2.42 O ATOM 1655 CB ASP B 544 41.121 14.261 -32.409 1.00 73.54 C ATOM 1656 CG ASP B 544 40.653 15.498 -31.668 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.008 16.617 -32.096 1.00 50.03 O ATOM 1658 OD2 ASP B 544 39.932 15.348 -30.660 1.00 63.43 O1- ATOM 0 H ASP B 544 41.433 12.262 -33.826 1.00 15.42 H new ATOM 0 HA ASP B 544 39.602 12.839 -31.871 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.839 13.721 -31.792 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.644 14.561 -33.317 1.00 73.54 H new ATOM 1663 N LYS B 545 38.846 14.286 -34.702 1.00 75.25 N ATOM 1664 CA LYS B 545 37.811 15.032 -35.406 1.00 24.24 C ATOM 1665 C LYS B 545 36.422 14.559 -34.990 1.00 33.21 C ATOM 1666 O LYS B 545 35.578 15.361 -34.588 1.00 50.14 O ATOM 1667 CB LYS B 545 37.981 14.876 -36.920 1.00 64.44 C ATOM 1668 CG LYS B 545 38.918 15.901 -37.535 1.00 54.23 C ATOM 1669 CD LYS B 545 40.289 15.866 -36.883 1.00 42.41 C ATOM 1670 CE LYS B 545 41.278 16.762 -37.614 1.00 62.41 C ATOM 1671 NZ LYS B 545 41.651 16.205 -38.944 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.574 13.904 -35.306 1.00 75.25 H new ATOM 0 HA LYS B 545 37.913 16.084 -35.141 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.359 13.876 -37.134 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.004 14.956 -37.397 1.00 64.44 H new ATOM 0 HG2 LYS B 545 39.017 15.709 -38.603 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.489 16.897 -37.428 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.207 16.185 -35.844 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.662 14.842 -36.874 1.00 42.41 H new ATOM 0 HE2 LYS B 545 40.843 17.753 -37.744 1.00 62.41 H new ATOM 0 HE3 LYS B 545 42.175 16.885 -37.007 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.509 16.680 -39.291 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 41.832 15.185 -38.855 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 40.873 16.361 -39.616 1.00 40.23 H new ATOM 1685 N LEU B 546 36.191 13.255 -35.088 1.00 71.42 N ATOM 1686 CA LEU B 546 34.904 12.675 -34.719 1.00 33.24 C ATOM 1687 C LEU B 546 34.892 12.265 -33.250 1.00 5.43 C ATOM 1688 O LEU B 546 33.842 12.253 -32.609 1.00 43.24 O ATOM 1689 CB LEU B 546 34.597 11.464 -35.601 1.00 40.40 C ATOM 1690 CG LEU B 546 35.592 10.306 -35.523 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.230 9.366 -34.385 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.641 9.554 -36.845 1.00 60.44 C ATOM 0 H LEU B 546 36.878 12.578 -35.420 1.00 71.42 H new ATOM 0 HA LEU B 546 34.135 13.432 -34.871 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.610 11.087 -35.334 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.541 11.799 -36.637 1.00 40.40 H new ATOM 0 HG LEU B 546 36.582 10.717 -35.325 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.950 8.548 -34.346 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.249 9.912 -33.442 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.231 8.962 -34.550 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.355 8.733 -36.771 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.653 9.156 -37.074 1.00 60.44 H new ATOM 0 HD23 LEU B 546 35.951 10.234 -37.639 1.00 60.44 H new ATOM 1704 N GLN B 547 36.066 11.932 -32.725 1.00 42.22 N ATOM 1705 CA GLN B 547 36.191 11.522 -31.331 1.00 10.14 C ATOM 1706 C GLN B 547 35.512 12.528 -30.406 1.00 64.45 C ATOM 1707 O GLN B 547 34.748 12.153 -29.516 1.00 15.25 O ATOM 1708 CB GLN B 547 37.664 11.374 -30.950 1.00 1.31 C ATOM 1709 CG GLN B 547 37.955 10.138 -30.115 1.00 14.25 C ATOM 1710 CD GLN B 547 39.324 10.182 -29.465 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.308 9.700 -30.029 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.395 10.760 -28.273 1.00 30.11 N ATOM 0 H GLN B 547 36.944 11.938 -33.243 1.00 42.22 H new ATOM 0 HA GLN B 547 35.696 10.558 -31.216 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.264 11.338 -31.859 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.978 12.259 -30.396 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.193 10.039 -29.342 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.885 9.253 -30.747 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.555 11.146 -27.843 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.290 10.818 -27.787 1.00 30.11 H new ATOM 1721 N LYS B 548 35.798 13.808 -30.621 1.00 13.42 N ATOM 1722 CA LYS B 548 35.215 14.869 -29.808 1.00 2.43 C ATOM 1723 C LYS B 548 33.702 14.709 -29.707 1.00 11.31 C ATOM 1724 O LYS B 548 33.140 14.719 -28.612 1.00 25.34 O ATOM 1725 CB LYS B 548 35.556 16.238 -30.401 1.00 44.51 C ATOM 1726 CG LYS B 548 35.250 16.352 -31.884 1.00 74.23 C ATOM 1727 CD LYS B 548 36.155 17.366 -32.564 1.00 50.13 C ATOM 1728 CE LYS B 548 35.975 18.756 -31.977 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.770 19.777 -32.713 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.430 14.136 -31.351 1.00 13.42 H new ATOM 0 HA LYS B 548 35.637 14.798 -28.805 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.000 17.006 -29.864 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.615 16.441 -30.241 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.373 15.378 -32.358 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.209 16.644 -32.020 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.195 17.057 -32.457 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.938 17.390 -33.632 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.920 19.028 -32.005 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.275 18.749 -30.929 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.620 20.711 -32.282 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.780 19.532 -32.665 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.467 19.802 -33.708 1.00 32.25 H new ATOM 1743 N TRP B 549 33.050 14.559 -30.854 1.00 35.00 N ATOM 1744 CA TRP B 549 31.601 14.396 -30.894 1.00 23.03 C ATOM 1745 C TRP B 549 31.170 13.171 -30.094 1.00 60.44 C ATOM 1746 O TRP B 549 30.420 13.284 -29.124 1.00 13.42 O ATOM 1747 CB TRP B 549 31.121 14.271 -32.341 1.00 1.00 C ATOM 1748 CG TRP B 549 31.478 15.452 -33.190 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.658 15.664 -33.845 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.651 16.586 -33.472 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.613 16.861 -34.518 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.393 17.445 -34.307 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.355 16.958 -33.104 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.880 18.652 -34.776 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.848 18.156 -33.570 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.609 18.991 -34.399 1.00 4.25 C ATOM 0 H TRP B 549 33.501 14.547 -31.769 1.00 35.00 H new ATOM 0 HA TRP B 549 31.148 15.279 -30.444 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.551 13.372 -32.782 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.039 14.142 -32.347 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.502 14.990 -33.835 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.367 17.251 -35.083 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.760 16.320 -32.467 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.465 19.298 -35.415 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.848 18.454 -33.291 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.184 19.921 -34.747 1.00 4.25 H new ATOM 1767 N VAL B 550 31.648 12.001 -30.507 1.00 65.43 N ATOM 1768 CA VAL B 550 31.312 10.755 -29.827 1.00 41.32 C ATOM 1769 C VAL B 550 31.589 10.854 -28.331 1.00 70.33 C ATOM 1770 O VAL B 550 30.701 10.627 -27.510 1.00 22.45 O ATOM 1771 CB VAL B 550 32.105 9.569 -30.408 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.706 8.272 -29.719 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.891 9.470 -31.911 1.00 22.45 C ATOM 0 H VAL B 550 32.269 11.890 -31.309 1.00 65.43 H new ATOM 0 HA VAL B 550 30.247 10.584 -29.985 1.00 41.32 H new ATOM 0 HB VAL B 550 33.166 9.739 -30.225 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.276 7.445 -30.142 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.914 8.348 -28.652 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.641 8.093 -29.869 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.459 8.627 -32.305 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.831 9.323 -32.119 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.230 10.390 -32.388 1.00 22.45 H new ATOM 1783 N ARG B 551 32.827 11.193 -27.985 1.00 22.31 N ATOM 1784 CA ARG B 551 33.221 11.321 -26.587 1.00 13.54 C ATOM 1785 C ARG B 551 32.180 12.111 -25.799 1.00 30.45 C ATOM 1786 O ARG B 551 31.851 11.764 -24.665 1.00 43.25 O ATOM 1787 CB ARG B 551 34.584 12.006 -26.480 1.00 20.34 C ATOM 1788 CG ARG B 551 35.357 11.631 -25.226 1.00 75.53 C ATOM 1789 CD ARG B 551 35.010 12.547 -24.063 1.00 51.12 C ATOM 1790 NE ARG B 551 35.724 12.179 -22.843 1.00 55.05 N ATOM 1791 CZ ARG B 551 37.008 12.447 -22.634 1.00 23.44 C ATOM 1792 NH1 ARG B 551 37.714 13.083 -23.559 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.587 12.079 -21.499 1.00 20.42 N ATOM 0 H ARG B 551 33.574 11.384 -28.653 1.00 22.31 H new ATOM 0 HA ARG B 551 33.291 10.320 -26.162 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.181 11.748 -27.355 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.441 13.086 -26.499 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.136 10.598 -24.956 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.427 11.686 -25.427 1.00 75.53 H new ATOM 0 HD2 ARG B 551 35.252 13.576 -24.328 1.00 51.12 H new ATOM 0 HD3 ARG B 551 33.936 12.509 -23.880 1.00 51.12 H new ATOM 0 HE ARG B 551 35.208 11.689 -22.112 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.271 13.367 -24.433 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.700 13.288 -23.397 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.046 11.590 -20.786 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.573 12.285 -21.339 1.00 20.42 H new ATOM 1807 N VAL B 552 31.666 13.175 -26.408 1.00 73.21 N ATOM 1808 CA VAL B 552 30.662 14.014 -25.763 1.00 53.54 C ATOM 1809 C VAL B 552 29.329 13.284 -25.647 1.00 31.11 C ATOM 1810 O VAL B 552 28.631 13.400 -24.639 1.00 31.43 O ATOM 1811 CB VAL B 552 30.450 15.329 -26.537 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.329 16.142 -25.909 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.741 16.133 -26.583 1.00 14.55 C ATOM 0 H VAL B 552 31.928 13.476 -27.347 1.00 73.21 H new ATOM 0 HA VAL B 552 31.034 14.244 -24.765 1.00 53.54 H new ATOM 0 HB VAL B 552 30.162 15.087 -27.560 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.193 17.067 -26.469 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.404 15.565 -25.932 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.585 16.377 -24.876 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.574 17.059 -27.133 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.060 16.367 -25.567 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.515 15.550 -27.081 1.00 14.55 H new ATOM 1823 N TYR B 553 28.980 12.532 -26.686 1.00 3.04 N ATOM 1824 CA TYR B 553 27.728 11.785 -26.702 1.00 51.43 C ATOM 1825 C TYR B 553 27.653 10.824 -25.520 1.00 23.41 C ATOM 1826 O TYR B 553 26.629 10.732 -24.841 1.00 65.22 O ATOM 1827 CB TYR B 553 27.588 11.011 -28.014 1.00 50.50 C ATOM 1828 CG TYR B 553 27.271 9.545 -27.822 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.979 9.127 -27.527 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.263 8.579 -27.932 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.684 7.789 -27.350 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.978 7.239 -27.758 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.687 6.849 -27.467 1.00 52.22 C ATOM 1834 OH TYR B 553 26.398 5.514 -27.290 1.00 2.33 O ATOM 0 H TYR B 553 29.547 12.424 -27.527 1.00 3.04 H new ATOM 0 HA TYR B 553 26.907 12.498 -26.620 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.801 11.469 -28.614 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.515 11.102 -28.581 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.192 9.861 -27.435 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.275 8.881 -28.158 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.674 7.481 -27.121 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.761 6.501 -27.849 1.00 34.42 H new ATOM 0 HH TYR B 553 25.654 5.421 -26.659 1.00 2.33 H new ATOM 1844 N LEU B 554 28.745 10.106 -25.280 1.00 55.44 N ATOM 1845 CA LEU B 554 28.805 9.150 -24.179 1.00 42.23 C ATOM 1846 C LEU B 554 29.085 9.858 -22.857 1.00 53.42 C ATOM 1847 O LEU B 554 28.681 9.390 -21.793 1.00 74.44 O ATOM 1848 CB LEU B 554 29.886 8.102 -24.447 1.00 44.44 C ATOM 1849 CG LEU B 554 31.257 8.640 -24.860 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.255 8.486 -23.723 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.755 7.930 -26.110 1.00 32.42 C ATOM 0 H LEU B 554 29.600 10.167 -25.832 1.00 55.44 H new ATOM 0 HA LEU B 554 27.836 8.655 -24.107 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.011 7.500 -23.547 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.529 7.434 -25.231 1.00 44.44 H new ATOM 0 HG LEU B 554 31.156 9.701 -25.086 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.225 8.874 -24.035 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.904 9.042 -22.853 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.352 7.432 -23.465 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.732 8.326 -26.389 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.840 6.861 -25.912 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.051 8.093 -26.926 1.00 32.42 H new ATOM 1863 N ASP B 555 29.776 10.990 -22.933 1.00 73.25 N ATOM 1864 CA ASP B 555 30.107 11.765 -21.742 1.00 31.31 C ATOM 1865 C ASP B 555 28.866 12.450 -21.178 1.00 23.23 C ATOM 1866 O ASP B 555 28.740 12.626 -19.967 1.00 34.14 O ATOM 1867 CB ASP B 555 31.176 12.809 -22.068 1.00 72.13 C ATOM 1868 CG ASP B 555 31.559 13.642 -20.861 1.00 53.31 C ATOM 1869 OD1 ASP B 555 31.642 13.075 -19.751 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.776 14.861 -21.027 1.00 21.01 O1- ATOM 0 H ASP B 555 30.118 11.392 -23.806 1.00 73.25 H new ATOM 0 HA ASP B 555 30.497 11.080 -20.989 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.063 12.308 -22.456 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.810 13.465 -22.857 1.00 72.13 H new ATOM 1875 N ARG B 556 27.954 12.834 -22.064 1.00 10.54 N ATOM 1876 CA ARG B 556 26.723 13.501 -21.655 1.00 54.44 C ATOM 1877 C ARG B 556 25.621 12.485 -21.371 1.00 72.41 C ATOM 1878 O ARG B 556 24.773 12.698 -20.506 1.00 3.24 O ATOM 1879 CB ARG B 556 26.264 14.479 -22.738 1.00 35.13 C ATOM 1880 CG ARG B 556 25.939 13.811 -24.064 1.00 22.30 C ATOM 1881 CD ARG B 556 24.452 13.527 -24.195 1.00 71.10 C ATOM 1882 NE ARG B 556 24.191 12.328 -24.988 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.048 12.105 -25.629 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.067 12.994 -25.570 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.887 10.989 -26.330 1.00 21.52 N ATOM 0 H ARG B 556 28.044 12.695 -23.070 1.00 10.54 H new ATOM 0 HA ARG B 556 26.927 14.054 -20.738 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.382 15.012 -22.384 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.044 15.224 -22.897 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.262 14.452 -24.884 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.497 12.879 -24.149 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.017 13.407 -23.203 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.959 14.382 -24.658 1.00 71.10 H new ATOM 0 HE ARG B 556 24.926 11.624 -25.053 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.188 13.852 -25.032 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.191 12.820 -26.063 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.640 10.303 -26.377 1.00 21.52 H new ATOM 0 HH22 ARG B 556 22.010 10.818 -26.822 1.00 21.52 H new ATOM 1899 N GLY B 557 25.641 11.378 -22.107 1.00 54.40 N ATOM 1900 CA GLY B 557 24.639 10.345 -21.920 1.00 51.20 C ATOM 1901 C GLY B 557 24.655 9.769 -20.518 1.00 73.35 C ATOM 1902 O GLY B 557 23.814 10.114 -19.689 1.00 64.24 O ATOM 0 H GLY B 557 26.333 11.178 -22.829 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.652 10.758 -22.128 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.808 9.545 -22.640 1.00 51.20 H new ATOM 1906 N GLN B 558 25.613 8.886 -20.253 1.00 30.44 N ATOM 1907 CA GLN B 558 25.733 8.260 -18.943 1.00 71.33 C ATOM 1908 C GLN B 558 27.118 8.501 -18.348 1.00 54.22 C ATOM 1909 O GLN B 558 27.246 9.049 -17.253 1.00 65.12 O ATOM 1910 CB GLN B 558 25.465 6.758 -19.046 1.00 32.20 C ATOM 1911 CG GLN B 558 25.745 6.183 -20.425 1.00 10.50 C ATOM 1912 CD GLN B 558 25.478 4.692 -20.501 1.00 44.43 C ATOM 1913 OE1 GLN B 558 26.378 3.903 -20.790 1.00 32.15 O ATOM 1914 NE2 GLN B 558 24.236 4.299 -20.243 1.00 2.10 N ATOM 0 H GLN B 558 26.317 8.589 -20.929 1.00 30.44 H new ATOM 0 HA GLN B 558 24.991 8.711 -18.284 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.080 6.237 -18.312 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.425 6.564 -18.785 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.127 6.697 -21.161 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.784 6.376 -20.691 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.522 4.988 -20.008 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.996 3.308 -20.280 1.00 2.10 H new ATOM 1923 N GLU B 559 28.150 8.089 -19.078 1.00 54.14 N ATOM 1924 CA GLU B 559 29.524 8.259 -18.620 1.00 64.14 C ATOM 1925 C GLU B 559 30.514 7.824 -19.697 1.00 45.44 C ATOM 1926 O GLU B 559 30.121 7.469 -20.808 1.00 54.24 O ATOM 1927 CB GLU B 559 29.762 7.458 -17.339 1.00 42.30 C ATOM 1928 CG GLU B 559 29.733 5.953 -17.549 1.00 15.30 C ATOM 1929 CD GLU B 559 29.531 5.188 -16.255 1.00 15.40 C ATOM 1930 OE1 GLU B 559 30.540 4.811 -15.623 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.362 4.966 -15.874 1.00 61.43 O1- ATOM 0 H GLU B 559 28.061 7.636 -19.987 1.00 54.14 H new ATOM 0 HA GLU B 559 29.682 9.317 -18.412 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.727 7.739 -16.918 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.003 7.729 -16.605 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.932 5.702 -18.244 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.668 5.636 -18.012 1.00 15.30 H new ATOM 1938 N ALA B 560 31.798 7.856 -19.359 1.00 3.04 N ATOM 1939 CA ALA B 560 32.844 7.464 -20.295 1.00 50.04 C ATOM 1940 C ALA B 560 32.781 5.970 -20.594 1.00 31.25 C ATOM 1941 O ALA B 560 32.292 5.185 -19.782 1.00 10.24 O ATOM 1942 CB ALA B 560 34.212 7.836 -19.744 1.00 41.05 C ATOM 0 H ALA B 560 32.139 8.149 -18.444 1.00 3.04 H new ATOM 0 HA ALA B 560 32.682 8.002 -21.229 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.984 7.537 -20.454 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.260 8.914 -19.588 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.374 7.324 -18.795 1.00 41.05 H new ATOM 1948 N ILE B 561 33.278 5.584 -21.766 1.00 73.03 N ATOM 1949 CA ILE B 561 33.278 4.184 -22.171 1.00 2.23 C ATOM 1950 C ILE B 561 34.438 3.885 -23.114 1.00 30.44 C ATOM 1951 O ILE B 561 34.660 4.603 -24.089 1.00 42.35 O ATOM 1952 CB ILE B 561 31.956 3.798 -22.861 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.585 4.840 -23.918 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.843 3.658 -21.833 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.449 4.407 -24.819 1.00 63.22 C ATOM 0 H ILE B 561 33.685 6.221 -22.450 1.00 73.03 H new ATOM 0 HA ILE B 561 33.390 3.592 -21.263 1.00 2.23 H new ATOM 0 HB ILE B 561 32.089 2.836 -23.357 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.309 5.769 -23.420 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.462 5.054 -24.529 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.915 3.385 -22.336 1.00 51.43 H new ATOM 0 HG22 ILE B 561 31.107 2.883 -21.114 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.708 4.606 -21.312 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.239 5.194 -25.544 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.729 3.494 -25.345 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.559 4.221 -24.218 1.00 63.22 H new ATOM 1967 N LYS B 562 35.173 2.818 -22.819 1.00 34.53 N ATOM 1968 CA LYS B 562 36.309 2.420 -23.642 1.00 5.33 C ATOM 1969 C LYS B 562 35.946 1.239 -24.535 1.00 3.44 C ATOM 1970 O LYS B 562 36.167 1.273 -25.746 1.00 74.43 O ATOM 1971 CB LYS B 562 37.504 2.057 -22.758 1.00 55.54 C ATOM 1972 CG LYS B 562 38.367 3.249 -22.382 1.00 23.25 C ATOM 1973 CD LYS B 562 39.817 2.844 -22.172 1.00 61.12 C ATOM 1974 CE LYS B 562 39.956 1.839 -21.039 1.00 62.12 C ATOM 1975 NZ LYS B 562 39.847 0.436 -21.525 1.00 35.51 N1+ ATOM 0 H LYS B 562 35.002 2.213 -22.016 1.00 34.53 H new ATOM 0 HA LYS B 562 36.579 3.264 -24.277 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.140 1.581 -21.847 1.00 55.54 H new ATOM 0 HB3 LYS B 562 38.120 1.323 -23.278 1.00 55.54 H new ATOM 0 HG2 LYS B 562 38.309 4.003 -23.167 1.00 23.25 H new ATOM 0 HG3 LYS B 562 37.980 3.706 -21.471 1.00 23.25 H new ATOM 0 HD2 LYS B 562 40.213 2.414 -23.092 1.00 61.12 H new ATOM 0 HD3 LYS B 562 40.415 3.728 -21.951 1.00 61.12 H new ATOM 0 HE2 LYS B 562 40.918 1.979 -20.546 1.00 62.12 H new ATOM 0 HE3 LYS B 562 39.185 2.025 -20.292 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 40.493 -0.171 -20.981 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 38.870 0.101 -21.401 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 40.101 0.397 -22.533 1.00 35.51 H new TER 1989 LYS B 562