USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 141 HIS : no HD1:sc= -0.328 K(o=-5.8,f=-2.5) USER MOD Set 1.2: A 145 GLN : amide:sc= -5.44! C(o=-5.8!,f=-2.5!) USER MOD Set 2.1: A 132 SER OG : rot 140:sc= 0.403 USER MOD Set 2.2: A 135 GLN : amide:sc= -0.304 X(o=0.1,f=0.12) USER MOD Set 3.1: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 82 SER OG : rot 69:sc= 0.656 USER MOD Set 4.2: A 85 CYS SG : rot -12:sc= 1.06 USER MOD Set 5.1: A 75 LYS NZ :NH3+ 151:sc= 0.527 (180deg=0) USER MOD Set 5.2: A 80 SER OG : rot 105:sc= 0.652 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0292 X(o=-0.029,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 76 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.19) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc=-0.00718 (180deg=-0.158) 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= -0.158 X(o=-0.16,f=-0.0029) USER MOD Single : A 91 THR OG1 : rot 167:sc= -1.33 USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= -0.0375 (180deg=-0.297) USER MOD Single : A 94 GLN : amide:sc= -0.204 K(o=-0.2,f=-3.4!) USER MOD Single : A 97 THR OG1 : rot -80:sc= -1.73 USER MOD Single : A 100 GLN : amide:sc=-0.00951 X(o=-0.0095,f=-0.024) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 104 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.6) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.616 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 117 THR OG1 : rot 180:sc= 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=-0.00727 X(o=-0.0073,f=-0.16) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 7:sc= -0.597 USER MOD Single : B 518 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) 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 -52:sc= 0.0164 USER MOD Single : B 531 ASN : amide:sc= -0.0093 K(o=-0.0093,f=-0.69) USER MOD Single : B 532 ASN : amide:sc= -0.688 X(o=-0.69,f=-1) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 537 SER OG : rot 23:sc= 1.15 USER MOD Single : B 541 SER OG : rot 58:sc= 0.519 USER MOD Single : B 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= -0.783 USER MOD Single : B 558 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : B 562 LYS NZ :NH3+ -123:sc= 0.381 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 41.037 8.883 -11.753 1.00 74.20 N ATOM 2 CA MET A 69 41.176 7.452 -11.507 1.00 31.11 C ATOM 3 C MET A 69 41.044 6.662 -12.805 1.00 50.54 C ATOM 4 O MET A 69 39.964 6.173 -13.138 1.00 3.54 O ATOM 5 CB MET A 69 40.124 6.981 -10.500 1.00 33.12 C ATOM 6 CG MET A 69 40.304 7.573 -9.112 1.00 34.21 C ATOM 7 SD MET A 69 38.888 7.270 -8.039 1.00 30.11 S ATOM 8 CE MET A 69 38.075 8.865 -8.093 1.00 32.55 C ATOM 0 HA MET A 69 42.169 7.275 -11.094 1.00 31.11 H new ATOM 0 HB2 MET A 69 39.134 7.243 -10.872 1.00 33.12 H new ATOM 0 HB3 MET A 69 40.161 5.894 -10.430 1.00 33.12 H new ATOM 0 HG2 MET A 69 41.199 7.151 -8.654 1.00 34.21 H new ATOM 0 HG3 MET A 69 40.467 8.647 -9.198 1.00 34.21 H new ATOM 0 HE1 MET A 69 37.178 8.837 -7.475 1.00 32.55 H new ATOM 0 HE2 MET A 69 38.752 9.631 -7.715 1.00 32.55 H new ATOM 0 HE3 MET A 69 37.800 9.099 -9.122 1.00 32.55 H new ATOM 18 N ASP A 70 42.148 6.541 -13.534 1.00 23.23 N ATOM 19 CA ASP A 70 42.155 5.809 -14.795 1.00 34.14 C ATOM 20 C ASP A 70 42.066 4.306 -14.552 1.00 65.45 C ATOM 21 O ASP A 70 42.548 3.802 -13.538 1.00 24.10 O ATOM 22 CB ASP A 70 43.420 6.135 -15.592 1.00 21.10 C ATOM 23 CG ASP A 70 43.549 5.292 -16.845 1.00 71.45 C ATOM 24 OD1 ASP A 70 42.740 5.485 -17.776 1.00 15.14 O ATOM 25 OD2 ASP A 70 44.459 4.438 -16.894 1.00 53.42 O1- ATOM 0 H ASP A 70 43.050 6.940 -13.273 1.00 23.23 H new ATOM 0 HA ASP A 70 41.282 6.118 -15.370 1.00 34.14 H new ATOM 0 HB2 ASP A 70 43.411 7.190 -15.867 1.00 21.10 H new ATOM 0 HB3 ASP A 70 44.294 5.978 -14.960 1.00 21.10 H new ATOM 30 N ASN A 71 41.445 3.595 -15.488 1.00 22.14 N ATOM 31 CA ASN A 71 41.291 2.150 -15.375 1.00 34.12 C ATOM 32 C ASN A 71 41.315 1.490 -16.750 1.00 4.12 C ATOM 33 O ASN A 71 40.423 1.707 -17.570 1.00 65.53 O ATOM 34 CB ASN A 71 39.983 1.810 -14.657 1.00 71.13 C ATOM 35 CG ASN A 71 40.112 1.901 -13.149 1.00 0.32 C ATOM 36 OD1 ASN A 71 39.484 2.747 -12.511 1.00 3.23 O ATOM 37 ND2 ASN A 71 40.926 1.026 -12.570 1.00 4.42 N ATOM 0 H ASN A 71 41.040 3.997 -16.334 1.00 22.14 H new ATOM 0 HA ASN A 71 42.129 1.766 -14.793 1.00 34.12 H new ATOM 0 HB2 ASN A 71 39.200 2.489 -14.994 1.00 71.13 H new ATOM 0 HB3 ASN A 71 39.672 0.802 -14.932 1.00 71.13 H new ATOM 0 HD21 ASN A 71 41.051 1.038 -11.558 1.00 4.42 H new ATOM 0 HD22 ASN A 71 41.427 0.342 -13.138 1.00 4.42 H new ATOM 44 N SER A 72 42.343 0.683 -16.995 1.00 3.04 N ATOM 45 CA SER A 72 42.486 -0.006 -18.273 1.00 45.25 C ATOM 46 C SER A 72 42.455 -1.518 -18.081 1.00 31.43 C ATOM 47 O SER A 72 43.014 -2.044 -17.118 1.00 24.42 O ATOM 48 CB SER A 72 43.791 0.406 -18.956 1.00 33.44 C ATOM 49 OG SER A 72 44.849 0.502 -18.018 1.00 30.22 O ATOM 0 H SER A 72 43.088 0.490 -16.326 1.00 3.04 H new ATOM 0 HA SER A 72 41.647 0.280 -18.907 1.00 45.25 H new ATOM 0 HB2 SER A 72 44.048 -0.322 -19.726 1.00 33.44 H new ATOM 0 HB3 SER A 72 43.656 1.365 -19.456 1.00 33.44 H new ATOM 0 HG SER A 72 45.673 0.765 -18.480 1.00 30.22 H new ATOM 55 N ALA A 73 41.798 -2.213 -19.003 1.00 32.23 N ATOM 56 CA ALA A 73 41.695 -3.666 -18.937 1.00 1.24 C ATOM 57 C ALA A 73 41.006 -4.224 -20.177 1.00 73.54 C ATOM 58 O ALA A 73 40.323 -3.498 -20.900 1.00 43.12 O ATOM 59 CB ALA A 73 40.946 -4.085 -17.681 1.00 50.03 C ATOM 0 H ALA A 73 41.329 -1.793 -19.805 1.00 32.23 H new ATOM 0 HA ALA A 73 42.704 -4.076 -18.899 1.00 1.24 H new ATOM 0 HB1 ALA A 73 40.876 -5.172 -17.645 1.00 50.03 H new ATOM 0 HB2 ALA A 73 41.481 -3.726 -16.802 1.00 50.03 H new ATOM 0 HB3 ALA A 73 39.943 -3.658 -17.696 1.00 50.03 H new ATOM 65 N SER A 74 41.190 -5.518 -20.419 1.00 65.05 N ATOM 66 CA SER A 74 40.589 -6.173 -21.575 1.00 24.22 C ATOM 67 C SER A 74 40.654 -7.691 -21.435 1.00 51.35 C ATOM 68 O SER A 74 41.643 -8.239 -20.948 1.00 13.12 O ATOM 69 CB SER A 74 41.297 -5.738 -22.860 1.00 11.40 C ATOM 70 OG SER A 74 40.647 -6.265 -24.004 1.00 64.15 O ATOM 0 H SER A 74 41.751 -6.134 -19.830 1.00 65.05 H new ATOM 0 HA SER A 74 39.542 -5.875 -21.626 1.00 24.22 H new ATOM 0 HB2 SER A 74 41.316 -4.650 -22.918 1.00 11.40 H new ATOM 0 HB3 SER A 74 42.334 -6.074 -22.840 1.00 11.40 H new ATOM 0 HG SER A 74 41.117 -5.971 -24.812 1.00 64.15 H new ATOM 76 N LYS A 75 39.593 -8.365 -21.865 1.00 51.20 N ATOM 77 CA LYS A 75 39.528 -9.819 -21.790 1.00 61.13 C ATOM 78 C LYS A 75 38.442 -10.363 -22.713 1.00 14.21 C ATOM 79 O LYS A 75 37.812 -9.612 -23.455 1.00 53.03 O ATOM 80 CB LYS A 75 39.257 -10.264 -20.350 1.00 4.54 C ATOM 81 CG LYS A 75 38.062 -9.575 -19.715 1.00 70.10 C ATOM 82 CD LYS A 75 38.472 -8.304 -18.991 1.00 22.54 C ATOM 83 CE LYS A 75 37.356 -7.789 -18.093 1.00 42.01 C ATOM 84 NZ LYS A 75 36.174 -7.342 -18.879 1.00 3.24 N1+ ATOM 0 H LYS A 75 38.766 -7.927 -22.269 1.00 51.20 H new ATOM 0 HA LYS A 75 40.489 -10.218 -22.113 1.00 61.13 H new ATOM 0 HB2 LYS A 75 39.094 -11.342 -20.336 1.00 4.54 H new ATOM 0 HB3 LYS A 75 40.142 -10.068 -19.745 1.00 4.54 H new ATOM 0 HG2 LYS A 75 37.327 -9.336 -20.484 1.00 70.10 H new ATOM 0 HG3 LYS A 75 37.579 -10.255 -19.013 1.00 70.10 H new ATOM 0 HD2 LYS A 75 39.363 -8.496 -18.393 1.00 22.54 H new ATOM 0 HD3 LYS A 75 38.737 -7.538 -19.720 1.00 22.54 H new ATOM 0 HE2 LYS A 75 37.055 -8.575 -17.400 1.00 42.01 H new ATOM 0 HE3 LYS A 75 37.727 -6.959 -17.492 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 35.312 -7.467 -18.311 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 36.282 -6.338 -19.128 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 36.101 -7.908 -19.748 1.00 3.24 H new ATOM 98 N ASN A 76 38.230 -11.674 -22.662 1.00 3.42 N ATOM 99 CA ASN A 76 37.221 -12.319 -23.494 1.00 15.21 C ATOM 100 C ASN A 76 36.308 -13.206 -22.653 1.00 1.14 C ATOM 101 O ASN A 76 36.763 -14.152 -22.011 1.00 24.43 O ATOM 102 CB ASN A 76 37.889 -13.151 -24.590 1.00 52.35 C ATOM 103 CG ASN A 76 38.878 -14.157 -24.032 1.00 1.44 C ATOM 104 OD1 ASN A 76 38.577 -15.346 -23.926 1.00 51.55 O ATOM 105 ND2 ASN A 76 40.064 -13.682 -23.671 1.00 51.31 N ATOM 0 H ASN A 76 38.744 -12.311 -22.053 1.00 3.42 H new ATOM 0 HA ASN A 76 36.616 -11.539 -23.957 1.00 15.21 H new ATOM 0 HB2 ASN A 76 37.123 -13.677 -25.161 1.00 52.35 H new ATOM 0 HB3 ASN A 76 38.404 -12.486 -25.284 1.00 52.35 H new ATOM 0 HD21 ASN A 76 40.770 -14.311 -23.288 1.00 51.31 H new ATOM 0 HD22 ASN A 76 40.269 -12.689 -23.777 1.00 51.31 H new ATOM 112 N SER A 77 35.016 -12.892 -22.661 1.00 4.44 N ATOM 113 CA SER A 77 34.038 -13.657 -21.896 1.00 12.05 C ATOM 114 C SER A 77 32.623 -13.158 -22.170 1.00 25.02 C ATOM 115 O SER A 77 32.431 -12.069 -22.709 1.00 34.10 O ATOM 116 CB SER A 77 34.344 -13.565 -20.400 1.00 2.00 C ATOM 117 OG SER A 77 34.791 -12.266 -20.050 1.00 22.15 O ATOM 0 H SER A 77 34.622 -12.113 -23.189 1.00 4.44 H new ATOM 0 HA SER A 77 34.103 -14.699 -22.209 1.00 12.05 H new ATOM 0 HB2 SER A 77 33.450 -13.812 -19.827 1.00 2.00 H new ATOM 0 HB3 SER A 77 35.105 -14.299 -20.135 1.00 2.00 H new ATOM 0 HG SER A 77 34.978 -12.233 -19.089 1.00 22.15 H new ATOM 123 N ALA A 78 31.635 -13.964 -21.793 1.00 22.23 N ATOM 124 CA ALA A 78 30.237 -13.605 -21.996 1.00 11.51 C ATOM 125 C ALA A 78 29.652 -12.953 -20.747 1.00 34.52 C ATOM 126 O ALA A 78 28.483 -13.158 -20.418 1.00 71.44 O ATOM 127 CB ALA A 78 29.427 -14.833 -22.382 1.00 23.42 C ATOM 0 H ALA A 78 31.777 -14.869 -21.346 1.00 22.23 H new ATOM 0 HA ALA A 78 30.187 -12.881 -22.810 1.00 11.51 H new ATOM 0 HB1 ALA A 78 28.385 -14.550 -22.530 1.00 23.42 H new ATOM 0 HB2 ALA A 78 29.823 -15.255 -23.306 1.00 23.42 H new ATOM 0 HB3 ALA A 78 29.491 -15.576 -21.587 1.00 23.42 H new ATOM 133 N ILE A 79 30.471 -12.169 -20.055 1.00 74.14 N ATOM 134 CA ILE A 79 30.033 -11.488 -18.844 1.00 71.01 C ATOM 135 C ILE A 79 30.214 -9.978 -18.964 1.00 71.13 C ATOM 136 O ILE A 79 29.407 -9.203 -18.453 1.00 10.44 O ATOM 137 CB ILE A 79 30.803 -11.987 -17.607 1.00 31.22 C ATOM 138 CG1 ILE A 79 30.292 -11.290 -16.344 1.00 14.41 C ATOM 139 CG2 ILE A 79 32.296 -11.751 -17.782 1.00 3.00 C ATOM 140 CD1 ILE A 79 30.784 -11.925 -15.062 1.00 1.13 C ATOM 0 H ILE A 79 31.442 -11.990 -20.312 1.00 74.14 H new ATOM 0 HA ILE A 79 28.974 -11.716 -18.721 1.00 71.01 H new ATOM 0 HB ILE A 79 30.634 -13.059 -17.500 1.00 31.22 H new ATOM 0 HG12 ILE A 79 30.602 -10.245 -16.365 1.00 14.41 H new ATOM 0 HG13 ILE A 79 29.202 -11.299 -16.349 1.00 14.41 H new ATOM 0 HG21 ILE A 79 32.827 -12.109 -16.900 1.00 3.00 H new ATOM 0 HG22 ILE A 79 32.649 -12.290 -18.661 1.00 3.00 H new ATOM 0 HG23 ILE A 79 32.483 -10.685 -17.911 1.00 3.00 H new ATOM 0 HD11 ILE A 79 30.382 -11.379 -14.208 1.00 1.13 H new ATOM 0 HD12 ILE A 79 30.451 -12.962 -15.019 1.00 1.13 H new ATOM 0 HD13 ILE A 79 31.873 -11.892 -15.034 1.00 1.13 H new ATOM 152 N SER A 80 31.279 -9.568 -19.649 1.00 54.20 N ATOM 153 CA SER A 80 31.567 -8.152 -19.836 1.00 1.35 C ATOM 154 C SER A 80 31.107 -7.681 -21.213 1.00 11.25 C ATOM 155 O SER A 80 31.915 -7.266 -22.042 1.00 61.02 O ATOM 156 CB SER A 80 33.065 -7.888 -19.670 1.00 45.00 C ATOM 157 OG SER A 80 33.444 -7.946 -18.305 1.00 4.14 O ATOM 0 H SER A 80 31.955 -10.197 -20.083 1.00 54.20 H new ATOM 0 HA SER A 80 31.020 -7.592 -19.077 1.00 1.35 H new ATOM 0 HB2 SER A 80 33.633 -8.623 -20.240 1.00 45.00 H new ATOM 0 HB3 SER A 80 33.312 -6.908 -20.078 1.00 45.00 H new ATOM 0 HG SER A 80 33.919 -8.786 -18.133 1.00 4.14 H new ATOM 163 N SER A 81 29.800 -7.750 -21.447 1.00 72.10 N ATOM 164 CA SER A 81 29.230 -7.335 -22.724 1.00 3.34 C ATOM 165 C SER A 81 27.864 -6.686 -22.524 1.00 74.11 C ATOM 166 O SER A 81 26.973 -7.268 -21.905 1.00 52.22 O ATOM 167 CB SER A 81 29.105 -8.535 -23.665 1.00 32.25 C ATOM 168 OG SER A 81 29.238 -8.138 -25.019 1.00 4.53 O ATOM 0 H SER A 81 29.117 -8.089 -20.770 1.00 72.10 H new ATOM 0 HA SER A 81 29.900 -6.600 -23.171 1.00 3.34 H new ATOM 0 HB2 SER A 81 29.870 -9.273 -23.422 1.00 32.25 H new ATOM 0 HB3 SER A 81 28.139 -9.018 -23.518 1.00 32.25 H new ATOM 0 HG SER A 81 29.156 -8.923 -25.600 1.00 4.53 H new ATOM 174 N SER A 82 27.707 -5.477 -23.053 1.00 64.12 N ATOM 175 CA SER A 82 26.451 -4.746 -22.930 1.00 73.52 C ATOM 176 C SER A 82 26.080 -4.076 -24.250 1.00 10.43 C ATOM 177 O SER A 82 26.912 -3.950 -25.149 1.00 22.43 O ATOM 178 CB SER A 82 26.554 -3.695 -21.823 1.00 44.04 C ATOM 179 OG SER A 82 27.902 -3.496 -21.433 1.00 54.11 O ATOM 0 H SER A 82 28.434 -4.983 -23.571 1.00 64.12 H new ATOM 0 HA SER A 82 25.668 -5.459 -22.672 1.00 73.52 H new ATOM 0 HB2 SER A 82 26.130 -2.753 -22.171 1.00 44.04 H new ATOM 0 HB3 SER A 82 25.966 -4.011 -20.961 1.00 44.04 H new ATOM 0 HG SER A 82 28.394 -3.066 -22.163 1.00 54.11 H new ATOM 185 N ILE A 83 24.826 -3.650 -24.358 1.00 3.54 N ATOM 186 CA ILE A 83 24.346 -2.992 -25.567 1.00 1.04 C ATOM 187 C ILE A 83 24.547 -1.483 -25.488 1.00 52.44 C ATOM 188 O ILE A 83 24.840 -0.831 -26.490 1.00 74.14 O ATOM 189 CB ILE A 83 22.855 -3.289 -25.814 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.602 -4.798 -25.795 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.407 -2.687 -27.137 1.00 13.24 C ATOM 192 CD1 ILE A 83 22.288 -5.341 -24.420 1.00 71.04 C ATOM 0 H ILE A 83 24.125 -3.749 -23.624 1.00 3.54 H new ATOM 0 HA ILE A 83 24.930 -3.390 -26.397 1.00 1.04 H new ATOM 0 HB ILE A 83 22.272 -2.833 -25.014 1.00 20.12 H new ATOM 0 HG12 ILE A 83 21.774 -5.028 -26.465 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.481 -5.310 -26.187 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.351 -2.905 -27.297 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.555 -1.607 -27.114 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.994 -3.116 -27.949 1.00 13.24 H new ATOM 0 HD11 ILE A 83 22.120 -6.416 -24.483 1.00 71.04 H new ATOM 0 HD12 ILE A 83 23.125 -5.143 -23.751 1.00 71.04 H new ATOM 0 HD13 ILE A 83 21.392 -4.856 -24.033 1.00 71.04 H new ATOM 204 N PHE A 84 24.387 -0.932 -24.290 1.00 22.43 N ATOM 205 CA PHE A 84 24.551 0.502 -24.079 1.00 52.22 C ATOM 206 C PHE A 84 25.890 0.983 -24.629 1.00 1.23 C ATOM 207 O PHE A 84 25.978 2.052 -25.233 1.00 0.11 O ATOM 208 CB PHE A 84 24.451 0.835 -22.589 1.00 51.20 C ATOM 209 CG PHE A 84 23.038 0.890 -22.081 1.00 42.14 C ATOM 210 CD1 PHE A 84 22.661 0.167 -20.961 1.00 24.13 C ATOM 211 CD2 PHE A 84 22.087 1.667 -22.724 1.00 23.11 C ATOM 212 CE1 PHE A 84 21.362 0.216 -20.492 1.00 43.41 C ATOM 213 CE2 PHE A 84 20.787 1.722 -22.258 1.00 3.54 C ATOM 214 CZ PHE A 84 20.423 0.994 -21.142 1.00 63.45 C ATOM 0 H PHE A 84 24.144 -1.457 -23.450 1.00 22.43 H new ATOM 0 HA PHE A 84 23.752 1.016 -24.614 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.005 0.088 -22.020 1.00 51.20 H new ATOM 0 HB3 PHE A 84 24.932 1.796 -22.406 1.00 51.20 H new ATOM 0 HD1 PHE A 84 23.391 -0.442 -20.448 1.00 24.13 H new ATOM 0 HD2 PHE A 84 22.365 2.236 -23.599 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.081 -0.353 -19.618 1.00 43.41 H new ATOM 0 HE2 PHE A 84 20.056 2.334 -22.766 1.00 3.54 H new ATOM 0 HZ PHE A 84 19.407 1.033 -20.778 1.00 63.45 H new ATOM 224 N CYS A 85 26.932 0.185 -24.416 1.00 41.44 N ATOM 225 CA CYS A 85 28.267 0.528 -24.889 1.00 10.24 C ATOM 226 C CYS A 85 28.412 0.226 -26.377 1.00 23.33 C ATOM 227 O CYS A 85 29.107 0.939 -27.100 1.00 44.32 O ATOM 228 CB CYS A 85 29.325 -0.239 -24.095 1.00 12.32 C ATOM 229 SG CYS A 85 29.145 -2.036 -24.170 1.00 24.32 S ATOM 0 H CYS A 85 26.876 -0.704 -23.919 1.00 41.44 H new ATOM 0 HA CYS A 85 28.415 1.597 -24.738 1.00 10.24 H new ATOM 0 HB2 CYS A 85 30.312 0.032 -24.469 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.281 0.077 -23.053 1.00 12.32 H new ATOM 0 HG CYS A 85 27.986 -2.335 -24.678 1.00 24.32 H new ATOM 235 N GLU A 86 27.752 -0.837 -26.826 1.00 41.31 N ATOM 236 CA GLU A 86 27.810 -1.236 -28.228 1.00 23.33 C ATOM 237 C GLU A 86 27.455 -0.065 -29.141 1.00 54.43 C ATOM 238 O GLU A 86 27.919 0.013 -30.278 1.00 14.41 O ATOM 239 CB GLU A 86 26.859 -2.407 -28.488 1.00 70.34 C ATOM 240 CG GLU A 86 27.455 -3.761 -28.148 1.00 12.31 C ATOM 241 CD GLU A 86 26.397 -4.824 -27.922 1.00 71.01 C ATOM 242 OE1 GLU A 86 26.609 -5.698 -27.056 1.00 12.02 O ATOM 243 OE2 GLU A 86 25.357 -4.780 -28.611 1.00 72.23 O1- ATOM 0 H GLU A 86 27.171 -1.437 -26.240 1.00 41.31 H new ATOM 0 HA GLU A 86 28.830 -1.551 -28.449 1.00 23.33 H new ATOM 0 HB2 GLU A 86 25.950 -2.263 -27.904 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.567 -2.401 -29.538 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.115 -4.077 -28.956 1.00 12.31 H new ATOM 0 HG3 GLU A 86 28.069 -3.669 -27.252 1.00 12.31 H new ATOM 250 N LYS A 87 26.628 0.843 -28.634 1.00 3.45 N ATOM 251 CA LYS A 87 26.211 2.010 -29.401 1.00 44.40 C ATOM 252 C LYS A 87 27.418 2.757 -29.959 1.00 54.55 C ATOM 253 O LYS A 87 27.320 3.448 -30.973 1.00 13.23 O ATOM 254 CB LYS A 87 25.376 2.949 -28.527 1.00 41.11 C ATOM 255 CG LYS A 87 23.878 2.811 -28.742 1.00 30.21 C ATOM 256 CD LYS A 87 23.377 1.442 -28.315 1.00 62.43 C ATOM 257 CE LYS A 87 22.630 1.510 -26.992 1.00 44.42 C ATOM 258 NZ LYS A 87 21.333 2.230 -27.124 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.233 0.793 -27.695 1.00 3.45 H new ATOM 0 HA LYS A 87 25.603 1.664 -30.237 1.00 44.40 H new ATOM 0 HB2 LYS A 87 25.603 2.754 -27.479 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.670 3.979 -28.731 1.00 41.11 H new ATOM 0 HG2 LYS A 87 23.356 3.583 -28.177 1.00 30.21 H new ATOM 0 HG3 LYS A 87 23.644 2.973 -29.794 1.00 30.21 H new ATOM 0 HD2 LYS A 87 22.720 1.037 -29.085 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.220 0.757 -28.223 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.449 0.500 -26.625 1.00 44.42 H new ATOM 0 HE3 LYS A 87 23.250 2.012 -26.250 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.712 1.974 -26.330 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.503 3.256 -27.114 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 20.878 1.963 -28.020 1.00 70.52 H new ATOM 272 N TYR A 88 28.557 2.611 -29.290 1.00 73.21 N ATOM 273 CA TYR A 88 29.784 3.272 -29.718 1.00 74.10 C ATOM 274 C TYR A 88 30.024 3.061 -31.211 1.00 50.10 C ATOM 275 O TYR A 88 30.590 3.920 -31.888 1.00 0.51 O ATOM 276 CB TYR A 88 30.977 2.747 -28.919 1.00 0.31 C ATOM 277 CG TYR A 88 31.605 1.507 -29.513 1.00 53.54 C ATOM 278 CD1 TYR A 88 30.922 0.297 -29.529 1.00 4.10 C ATOM 279 CD2 TYR A 88 32.883 1.545 -30.058 1.00 2.51 C ATOM 280 CE1 TYR A 88 31.493 -0.839 -30.071 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.461 0.415 -30.603 1.00 45.43 C ATOM 282 CZ TYR A 88 32.762 -0.775 -30.607 1.00 51.51 C ATOM 283 OH TYR A 88 33.334 -1.903 -31.148 1.00 33.11 O ATOM 0 H TYR A 88 28.656 2.041 -28.450 1.00 73.21 H new ATOM 0 HA TYR A 88 29.674 4.341 -29.533 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.732 3.530 -28.853 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.654 2.529 -27.901 1.00 0.31 H new ATOM 0 HD1 TYR A 88 29.928 0.243 -29.111 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.434 2.474 -30.055 1.00 2.51 H new ATOM 0 HE1 TYR A 88 30.948 -1.772 -30.075 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.455 0.462 -31.024 1.00 45.43 H new ATOM 0 HH TYR A 88 34.229 -1.687 -31.483 1.00 33.11 H new ATOM 293 N LYS A 89 29.591 1.912 -31.716 1.00 34.53 N ATOM 294 CA LYS A 89 29.755 1.585 -33.127 1.00 32.43 C ATOM 295 C LYS A 89 28.910 2.508 -34.002 1.00 22.43 C ATOM 296 O LYS A 89 29.439 3.241 -34.838 1.00 3.10 O ATOM 297 CB LYS A 89 29.367 0.128 -33.384 1.00 53.34 C ATOM 298 CG LYS A 89 30.030 -0.470 -34.612 1.00 63.43 C ATOM 299 CD LYS A 89 29.152 -0.332 -35.844 1.00 14.45 C ATOM 300 CE LYS A 89 29.972 -0.385 -37.123 1.00 72.22 C ATOM 301 NZ LYS A 89 30.306 -1.783 -37.511 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.123 1.190 -31.168 1.00 34.53 H new ATOM 0 HA LYS A 89 30.804 1.726 -33.386 1.00 32.43 H new ATOM 0 HB2 LYS A 89 29.632 -0.469 -32.511 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.285 0.064 -33.498 1.00 53.34 H new ATOM 0 HG2 LYS A 89 30.985 0.025 -34.788 1.00 63.43 H new ATOM 0 HG3 LYS A 89 30.245 -1.524 -34.434 1.00 63.43 H new ATOM 0 HD2 LYS A 89 28.409 -1.130 -35.854 1.00 14.45 H new ATOM 0 HD3 LYS A 89 28.607 0.611 -35.799 1.00 14.45 H new ATOM 0 HE2 LYS A 89 29.417 0.093 -37.930 1.00 72.22 H new ATOM 0 HE3 LYS A 89 30.892 0.184 -36.988 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 30.865 -1.776 -38.388 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 30.858 -2.232 -36.752 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 29.429 -2.320 -37.665 1.00 43.33 H new ATOM 315 N GLN A 90 27.598 2.468 -33.800 1.00 2.13 N ATOM 316 CA GLN A 90 26.682 3.302 -34.570 1.00 14.13 C ATOM 317 C GLN A 90 27.031 4.779 -34.417 1.00 2.13 C ATOM 318 O GLN A 90 26.925 5.555 -35.368 1.00 41.43 O ATOM 319 CB GLN A 90 25.240 3.058 -34.123 1.00 44.13 C ATOM 320 CG GLN A 90 24.216 3.270 -35.228 1.00 72.41 C ATOM 321 CD GLN A 90 22.806 3.425 -34.695 1.00 65.22 C ATOM 322 OE1 GLN A 90 21.903 2.676 -35.071 1.00 14.22 O ATOM 323 NE2 GLN A 90 22.609 4.400 -33.816 1.00 61.02 N ATOM 0 H GLN A 90 27.145 1.868 -33.111 1.00 2.13 H new ATOM 0 HA GLN A 90 26.780 3.031 -35.621 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.152 2.038 -33.748 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.008 3.724 -33.292 1.00 44.13 H new ATOM 0 HG2 GLN A 90 24.484 4.158 -35.800 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.249 2.425 -35.916 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.387 4.996 -33.533 1.00 61.02 H new ATOM 0 HE22 GLN A 90 21.680 4.553 -33.423 1.00 61.02 H new ATOM 332 N THR A 91 27.448 5.163 -33.215 1.00 22.11 N ATOM 333 CA THR A 91 27.811 6.546 -32.937 1.00 23.40 C ATOM 334 C THR A 91 29.041 6.962 -33.735 1.00 53.31 C ATOM 335 O THR A 91 29.026 7.975 -34.436 1.00 13.14 O ATOM 336 CB THR A 91 28.088 6.765 -31.437 1.00 43.34 C ATOM 337 OG1 THR A 91 29.235 6.008 -31.036 1.00 21.23 O ATOM 338 CG2 THR A 91 26.886 6.354 -30.600 1.00 21.32 C ATOM 0 H THR A 91 27.543 4.534 -32.417 1.00 22.11 H new ATOM 0 HA THR A 91 26.962 7.161 -33.235 1.00 23.40 H new ATOM 0 HB THR A 91 28.278 7.826 -31.276 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.530 6.306 -30.150 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.105 6.517 -29.545 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.021 6.951 -30.888 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.670 5.299 -30.767 1.00 21.32 H new ATOM 346 N LYS A 92 30.107 6.175 -33.625 1.00 31.12 N ATOM 347 CA LYS A 92 31.346 6.461 -34.338 1.00 63.03 C ATOM 348 C LYS A 92 31.093 6.593 -35.836 1.00 75.23 C ATOM 349 O LYS A 92 31.517 7.565 -36.462 1.00 51.33 O ATOM 350 CB LYS A 92 32.373 5.356 -34.078 1.00 4.45 C ATOM 351 CG LYS A 92 33.812 5.814 -34.243 1.00 1.42 C ATOM 352 CD LYS A 92 34.193 6.843 -33.192 1.00 63.25 C ATOM 353 CE LYS A 92 34.034 6.289 -31.785 1.00 65.32 C ATOM 354 NZ LYS A 92 34.751 4.995 -31.614 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.137 5.334 -33.049 1.00 31.12 H new ATOM 0 HA LYS A 92 31.739 7.409 -33.969 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.236 4.974 -33.066 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.184 4.527 -34.760 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.479 4.955 -34.171 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.948 6.240 -35.237 1.00 1.42 H new ATOM 0 HD2 LYS A 92 35.226 7.156 -33.346 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.570 7.730 -33.307 1.00 63.25 H new ATOM 0 HE2 LYS A 92 34.415 7.013 -31.065 1.00 65.32 H new ATOM 0 HE3 LYS A 92 32.975 6.149 -31.567 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 34.822 4.769 -30.601 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 34.227 4.241 -32.102 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 35.706 5.071 -32.019 1.00 44.20 H new ATOM 368 N GLU A 93 30.400 5.611 -36.404 1.00 42.21 N ATOM 369 CA GLU A 93 30.092 5.620 -37.829 1.00 71.42 C ATOM 370 C GLU A 93 29.284 6.859 -38.203 1.00 60.11 C ATOM 371 O GLU A 93 29.583 7.534 -39.188 1.00 73.42 O ATOM 372 CB GLU A 93 29.317 4.358 -38.214 1.00 74.41 C ATOM 373 CG GLU A 93 28.929 4.305 -39.682 1.00 73.24 C ATOM 374 CD GLU A 93 28.400 2.946 -40.097 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.166 2.809 -40.237 1.00 63.11 O ATOM 376 OE2 GLU A 93 29.218 2.022 -40.283 1.00 60.10 O1- ATOM 0 H GLU A 93 30.042 4.800 -35.900 1.00 42.21 H new ATOM 0 HA GLU A 93 31.034 5.642 -38.378 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.922 3.483 -37.975 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.414 4.297 -37.606 1.00 74.41 H new ATOM 0 HG2 GLU A 93 28.171 5.062 -39.881 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.797 4.555 -40.293 1.00 73.24 H new ATOM 383 N GLN A 94 28.258 7.151 -37.410 1.00 40.54 N ATOM 384 CA GLN A 94 27.406 8.308 -37.657 1.00 30.21 C ATOM 385 C GLN A 94 28.222 9.596 -37.654 1.00 52.42 C ATOM 386 O GLN A 94 27.942 10.521 -38.417 1.00 15.43 O ATOM 387 CB GLN A 94 26.299 8.389 -36.605 1.00 23.31 C ATOM 388 CG GLN A 94 25.060 7.583 -36.961 1.00 1.33 C ATOM 389 CD GLN A 94 23.846 7.990 -36.148 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.425 9.146 -36.178 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.277 7.038 -35.418 1.00 14.24 N ATOM 0 H GLN A 94 27.997 6.602 -36.591 1.00 40.54 H new ATOM 0 HA GLN A 94 26.953 8.189 -38.641 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.690 8.036 -35.651 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.016 9.433 -36.467 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.841 7.709 -38.021 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.262 6.524 -36.801 1.00 1.33 H new ATOM 0 HE21 GLN A 94 23.661 6.093 -35.424 1.00 14.24 H new ATOM 0 HE22 GLN A 94 22.456 7.252 -34.851 1.00 14.24 H new ATOM 400 N ALA A 95 29.232 9.649 -36.792 1.00 25.00 N ATOM 401 CA ALA A 95 30.089 10.823 -36.691 1.00 45.15 C ATOM 402 C ALA A 95 30.937 10.993 -37.946 1.00 70.10 C ATOM 403 O ALA A 95 30.832 12.001 -38.647 1.00 11.14 O ATOM 404 CB ALA A 95 30.979 10.722 -35.461 1.00 72.43 C ATOM 0 H ALA A 95 29.477 8.892 -36.153 1.00 25.00 H new ATOM 0 HA ALA A 95 29.450 11.701 -36.594 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.614 11.606 -35.398 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.358 10.656 -34.567 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.603 9.831 -35.536 1.00 72.43 H new ATOM 410 N LEU A 96 31.778 10.004 -38.226 1.00 21.34 N ATOM 411 CA LEU A 96 32.645 10.044 -39.398 1.00 71.41 C ATOM 412 C LEU A 96 31.833 10.266 -40.670 1.00 65.14 C ATOM 413 O LEU A 96 32.258 10.985 -41.574 1.00 60.24 O ATOM 414 CB LEU A 96 33.444 8.744 -39.510 1.00 41.41 C ATOM 415 CG LEU A 96 32.642 7.449 -39.373 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.137 6.987 -40.731 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.487 6.366 -38.719 1.00 62.41 C ATOM 0 H LEU A 96 31.878 9.164 -37.657 1.00 21.34 H new ATOM 0 HA LEU A 96 33.335 10.879 -39.280 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.950 8.734 -40.475 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.219 8.750 -38.744 1.00 41.41 H new ATOM 0 HG LEU A 96 31.780 7.644 -38.736 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.569 6.064 -40.613 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.495 7.756 -41.161 1.00 0.51 H new ATOM 0 HD13 LEU A 96 32.984 6.809 -41.393 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.901 5.452 -38.629 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.369 6.173 -39.331 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.798 6.696 -37.728 1.00 62.41 H new ATOM 429 N THR A 97 30.659 9.645 -40.732 1.00 53.12 N ATOM 430 CA THR A 97 29.786 9.777 -41.892 1.00 4.23 C ATOM 431 C THR A 97 29.326 11.218 -42.074 1.00 42.31 C ATOM 432 O THR A 97 29.377 11.762 -43.177 1.00 43.35 O ATOM 433 CB THR A 97 28.548 8.866 -41.768 1.00 75.23 C ATOM 434 OG1 THR A 97 27.956 9.018 -40.473 1.00 52.14 O ATOM 435 CG2 THR A 97 28.923 7.410 -41.993 1.00 3.45 C ATOM 0 H THR A 97 30.291 9.046 -39.993 1.00 53.12 H new ATOM 0 HA THR A 97 30.368 9.473 -42.762 1.00 4.23 H new ATOM 0 HB THR A 97 27.829 9.161 -42.532 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.455 8.484 -39.820 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.034 6.787 -41.901 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.346 7.293 -42.991 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.659 7.105 -41.249 1.00 3.45 H new ATOM 443 N PHE A 98 28.878 11.834 -40.984 1.00 64.32 N ATOM 444 CA PHE A 98 28.409 13.214 -41.025 1.00 20.12 C ATOM 445 C PHE A 98 29.577 14.180 -41.201 1.00 70.44 C ATOM 446 O PHE A 98 29.413 15.278 -41.733 1.00 24.53 O ATOM 447 CB PHE A 98 27.641 13.551 -39.745 1.00 4.32 C ATOM 448 CG PHE A 98 28.262 14.663 -38.949 1.00 40.02 C ATOM 449 CD1 PHE A 98 28.003 15.987 -39.263 1.00 53.24 C ATOM 450 CD2 PHE A 98 29.106 14.384 -37.886 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.572 17.012 -38.531 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.679 15.404 -37.152 1.00 2.32 C ATOM 453 CZ PHE A 98 29.413 16.721 -37.475 1.00 14.52 C ATOM 0 H PHE A 98 28.830 11.399 -40.063 1.00 64.32 H new ATOM 0 HA PHE A 98 27.741 13.320 -41.880 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.620 13.828 -40.006 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.580 12.659 -39.122 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.349 16.221 -40.090 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.318 13.357 -37.628 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.359 18.040 -38.785 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.335 15.172 -36.326 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.861 17.520 -36.903 1.00 14.52 H new ATOM 463 N PHE A 99 30.754 13.764 -40.748 1.00 61.53 N ATOM 464 CA PHE A 99 31.950 14.593 -40.853 1.00 61.41 C ATOM 465 C PHE A 99 32.532 14.530 -42.262 1.00 60.30 C ATOM 466 O PHE A 99 33.060 15.519 -42.771 1.00 64.11 O ATOM 467 CB PHE A 99 32.999 14.142 -39.836 1.00 43.00 C ATOM 468 CG PHE A 99 34.256 14.963 -39.867 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.498 14.352 -39.927 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.196 16.347 -39.836 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.656 15.105 -39.954 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.351 17.105 -39.865 1.00 44.24 C ATOM 473 CZ PHE A 99 36.583 16.484 -39.924 1.00 54.34 C ATOM 0 H PHE A 99 30.906 12.858 -40.305 1.00 61.53 H new ATOM 0 HA PHE A 99 31.668 15.624 -40.640 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.568 14.190 -38.836 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.251 13.099 -40.025 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.562 13.274 -39.953 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.236 16.839 -39.789 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.618 14.616 -39.999 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.290 18.183 -39.842 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.487 17.075 -39.947 1.00 54.34 H new ATOM 483 N GLN A 100 32.433 13.360 -42.886 1.00 31.14 N ATOM 484 CA GLN A 100 32.951 13.169 -44.235 1.00 2.22 C ATOM 485 C GLN A 100 31.933 13.618 -45.278 1.00 64.05 C ATOM 486 O GLN A 100 32.289 14.240 -46.278 1.00 14.00 O ATOM 487 CB GLN A 100 33.316 11.700 -44.461 1.00 53.03 C ATOM 488 CG GLN A 100 34.536 11.250 -43.674 1.00 64.35 C ATOM 489 CD GLN A 100 34.660 9.740 -43.604 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.707 9.176 -43.921 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.588 9.077 -43.186 1.00 14.41 N ATOM 0 H GLN A 100 31.999 12.531 -42.479 1.00 31.14 H new ATOM 0 HA GLN A 100 33.847 13.780 -44.342 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.466 11.076 -44.186 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.499 11.539 -45.523 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.433 11.664 -44.134 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.481 11.654 -42.663 1.00 64.35 H new ATOM 0 HE21 GLN A 100 32.740 9.585 -42.933 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.612 8.060 -43.118 1.00 14.41 H new ATOM 500 N GLU A 101 30.666 13.297 -45.037 1.00 35.51 N ATOM 501 CA GLU A 101 29.596 13.668 -45.957 1.00 4.42 C ATOM 502 C GLU A 101 29.364 15.175 -45.943 1.00 73.11 C ATOM 503 O GLU A 101 29.131 15.789 -46.985 1.00 13.41 O ATOM 504 CB GLU A 101 28.303 12.937 -45.591 1.00 74.32 C ATOM 505 CG GLU A 101 27.243 12.994 -46.679 1.00 62.12 C ATOM 506 CD GLU A 101 26.285 11.819 -46.621 1.00 61.35 C ATOM 507 OE1 GLU A 101 26.444 10.885 -47.435 1.00 22.34 O ATOM 508 OE2 GLU A 101 25.377 11.834 -45.765 1.00 61.22 O1- ATOM 0 H GLU A 101 30.355 12.781 -44.214 1.00 35.51 H new ATOM 0 HA GLU A 101 29.898 13.375 -46.962 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.534 11.894 -45.375 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.897 13.370 -44.677 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.680 13.922 -46.584 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.729 13.014 -47.654 1.00 62.12 H new ATOM 515 N HIS A 102 29.427 15.767 -44.754 1.00 15.43 N ATOM 516 CA HIS A 102 29.223 17.202 -44.602 1.00 21.40 C ATOM 517 C HIS A 102 30.299 17.813 -43.710 1.00 72.54 C ATOM 518 O HIS A 102 30.052 18.183 -42.562 1.00 40.35 O ATOM 519 CB HIS A 102 27.839 17.484 -44.017 1.00 2.24 C ATOM 520 CG HIS A 102 27.266 18.802 -44.440 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.931 19.093 -45.746 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.970 19.910 -43.721 1.00 34.24 C ATOM 523 CE1 HIS A 102 26.453 20.323 -45.812 1.00 44.23 C ATOM 524 NE2 HIS A 102 26.466 20.840 -44.596 1.00 62.12 N ATOM 0 H HIS A 102 29.618 15.274 -43.882 1.00 15.43 H new ATOM 0 HA HIS A 102 29.292 17.659 -45.589 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.158 16.688 -44.317 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.901 17.457 -42.929 1.00 2.24 H new ATOM 0 HD2 HIS A 102 27.105 20.038 -42.657 1.00 34.24 H new ATOM 0 HE1 HIS A 102 26.110 20.821 -46.707 1.00 44.23 H new ATOM 0 HE2 HIS A 102 26.152 21.778 -44.348 1.00 62.12 H new ATOM 533 N PRO A 103 31.524 17.920 -44.246 1.00 40.25 N ATOM 534 CA PRO A 103 32.662 18.484 -43.516 1.00 34.11 C ATOM 535 C PRO A 103 32.522 19.986 -43.293 1.00 22.13 C ATOM 536 O PRO A 103 33.198 20.784 -43.941 1.00 74.22 O ATOM 537 CB PRO A 103 33.854 18.189 -44.430 1.00 54.42 C ATOM 538 CG PRO A 103 33.265 18.081 -45.794 1.00 30.51 C ATOM 539 CD PRO A 103 31.892 17.499 -45.609 1.00 20.03 C ATOM 0 HA PRO A 103 32.757 18.056 -42.518 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.597 18.985 -44.381 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.356 17.266 -44.141 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.213 19.058 -46.275 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.876 17.443 -46.433 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.190 17.881 -46.351 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.899 16.413 -45.706 1.00 20.03 H new ATOM 547 N GLN A 104 31.639 20.363 -42.374 1.00 53.52 N ATOM 548 CA GLN A 104 31.410 21.771 -42.068 1.00 32.12 C ATOM 549 C GLN A 104 32.720 22.475 -41.732 1.00 3.31 C ATOM 550 O GLN A 104 32.895 23.657 -42.030 1.00 4.35 O ATOM 551 CB GLN A 104 30.430 21.908 -40.901 1.00 52.22 C ATOM 552 CG GLN A 104 31.032 21.538 -39.555 1.00 72.42 C ATOM 553 CD GLN A 104 31.393 20.069 -39.461 1.00 53.42 C ATOM 554 OE1 GLN A 104 32.549 19.717 -39.222 1.00 50.22 O ATOM 555 NE2 GLN A 104 30.405 19.203 -39.651 1.00 43.34 N ATOM 0 H GLN A 104 31.071 19.715 -41.829 1.00 53.52 H new ATOM 0 HA GLN A 104 30.981 22.244 -42.951 1.00 32.12 H new ATOM 0 HB2 GLN A 104 30.070 22.936 -40.858 1.00 52.22 H new ATOM 0 HB3 GLN A 104 29.563 21.274 -41.089 1.00 52.22 H new ATOM 0 HG2 GLN A 104 31.925 22.139 -39.383 1.00 72.42 H new ATOM 0 HG3 GLN A 104 30.324 21.785 -38.764 1.00 72.42 H new ATOM 0 HE21 GLN A 104 29.462 19.540 -39.846 1.00 43.34 H new ATOM 0 HE22 GLN A 104 30.589 18.201 -39.601 1.00 43.34 H new ATOM 564 N TYR A 105 33.638 21.743 -41.111 1.00 14.32 N ATOM 565 CA TYR A 105 34.932 22.297 -40.733 1.00 65.43 C ATOM 566 C TYR A 105 35.755 22.652 -41.967 1.00 72.42 C ATOM 567 O TYR A 105 36.499 23.633 -41.970 1.00 15.51 O ATOM 568 CB TYR A 105 35.701 21.304 -39.861 1.00 13.44 C ATOM 569 CG TYR A 105 37.026 21.834 -39.364 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.180 21.064 -39.446 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.125 23.105 -38.810 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.394 21.545 -38.992 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.334 23.594 -38.355 1.00 62.22 C ATOM 574 CZ TYR A 105 39.466 22.811 -38.448 1.00 63.32 C ATOM 575 OH TYR A 105 40.672 23.293 -37.994 1.00 2.35 O ATOM 0 H TYR A 105 33.509 20.763 -40.859 1.00 14.32 H new ATOM 0 HA TYR A 105 34.755 23.209 -40.163 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.084 21.032 -39.005 1.00 13.44 H new ATOM 0 HB3 TYR A 105 35.875 20.392 -40.431 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.128 20.073 -39.872 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.241 23.721 -38.734 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.281 20.933 -39.063 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.393 24.584 -37.929 1.00 62.22 H new ATOM 0 HH TYR A 105 40.550 24.199 -37.642 1.00 2.35 H new ATOM 585 N MET A 106 35.615 21.847 -43.015 1.00 2.13 N ATOM 586 CA MET A 106 36.343 22.076 -44.257 1.00 12.33 C ATOM 587 C MET A 106 35.746 23.248 -45.030 1.00 34.43 C ATOM 588 O MET A 106 36.422 23.877 -45.844 1.00 14.31 O ATOM 589 CB MET A 106 36.325 20.816 -45.124 1.00 2.20 C ATOM 590 CG MET A 106 37.514 20.707 -46.065 1.00 33.23 C ATOM 591 SD MET A 106 39.048 20.314 -45.202 1.00 45.54 S ATOM 592 CE MET A 106 40.176 20.132 -46.582 1.00 62.30 C ATOM 0 H MET A 106 35.004 21.030 -43.029 1.00 2.13 H new ATOM 0 HA MET A 106 37.375 22.319 -44.004 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.304 19.940 -44.476 1.00 2.20 H new ATOM 0 HB3 MET A 106 35.406 20.802 -45.710 1.00 2.20 H new ATOM 0 HG2 MET A 106 37.313 19.937 -46.810 1.00 33.23 H new ATOM 0 HG3 MET A 106 37.635 21.648 -46.603 1.00 33.23 H new ATOM 0 HE1 MET A 106 41.171 19.887 -46.209 1.00 62.30 H new ATOM 0 HE2 MET A 106 39.826 19.332 -47.235 1.00 62.30 H new ATOM 0 HE3 MET A 106 40.219 21.066 -47.143 1.00 62.30 H new ATOM 602 N ARG A 107 34.474 23.535 -44.770 1.00 64.32 N ATOM 603 CA ARG A 107 33.786 24.630 -45.442 1.00 35.05 C ATOM 604 C ARG A 107 34.018 25.949 -44.711 1.00 22.20 C ATOM 605 O ARG A 107 34.311 26.971 -45.333 1.00 15.10 O ATOM 606 CB ARG A 107 32.286 24.340 -45.530 1.00 40.51 C ATOM 607 CG ARG A 107 31.931 23.271 -46.550 1.00 44.25 C ATOM 608 CD ARG A 107 30.484 23.388 -47.000 1.00 14.22 C ATOM 609 NE ARG A 107 30.227 24.648 -47.694 1.00 62.33 N ATOM 610 CZ ARG A 107 29.149 24.872 -48.438 1.00 43.41 C ATOM 611 NH1 ARG A 107 28.232 23.925 -48.583 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 28.987 26.044 -49.037 1.00 71.14 N ATOM 0 H ARG A 107 33.900 23.024 -44.099 1.00 64.32 H new ATOM 0 HA ARG A 107 34.192 24.717 -46.450 1.00 35.05 H new ATOM 0 HB2 ARG A 107 31.927 24.028 -44.549 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.761 25.261 -45.784 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.590 23.358 -47.414 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.100 22.284 -46.118 1.00 44.25 H new ATOM 0 HD2 ARG A 107 30.241 22.555 -47.659 1.00 14.22 H new ATOM 0 HD3 ARG A 107 29.827 23.311 -46.133 1.00 14.22 H new ATOM 0 HE ARG A 107 30.913 25.397 -47.602 1.00 62.33 H new ATOM 0 HH11 ARG A 107 28.353 23.023 -48.123 1.00 11.24 H new ATOM 0 HH12 ARG A 107 27.405 24.099 -49.154 1.00 11.24 H new ATOM 0 HH21 ARG A 107 29.690 26.775 -48.927 1.00 71.14 H new ATOM 0 HH22 ARG A 107 28.159 26.215 -49.608 1.00 71.14 H new ATOM 626 N SER A 108 33.884 25.918 -43.390 1.00 32.45 N ATOM 627 CA SER A 108 34.075 27.112 -42.574 1.00 62.54 C ATOM 628 C SER A 108 34.449 26.739 -41.143 1.00 72.04 C ATOM 629 O SER A 108 33.668 26.112 -40.428 1.00 3.11 O ATOM 630 CB SER A 108 32.804 27.965 -42.574 1.00 72.53 C ATOM 631 OG SER A 108 33.114 29.341 -42.443 1.00 0.01 O ATOM 0 H SER A 108 33.644 25.080 -42.861 1.00 32.45 H new ATOM 0 HA SER A 108 34.892 27.689 -43.006 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.251 27.800 -43.499 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.155 27.656 -41.755 1.00 72.53 H new ATOM 0 HG SER A 108 32.286 29.865 -42.447 1.00 0.01 H new ATOM 637 N LYS A 109 35.652 27.127 -40.732 1.00 71.21 N ATOM 638 CA LYS A 109 36.132 26.835 -39.387 1.00 31.02 C ATOM 639 C LYS A 109 35.123 27.290 -38.337 1.00 3.25 C ATOM 640 O LYS A 109 34.951 26.642 -37.306 1.00 50.22 O ATOM 641 CB LYS A 109 37.479 27.521 -39.144 1.00 21.34 C ATOM 642 CG LYS A 109 37.412 29.036 -39.209 1.00 52.33 C ATOM 643 CD LYS A 109 38.763 29.668 -38.925 1.00 1.02 C ATOM 644 CE LYS A 109 39.064 29.695 -37.435 1.00 51.12 C ATOM 645 NZ LYS A 109 40.519 29.861 -37.165 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.312 27.645 -41.312 1.00 71.21 H new ATOM 0 HA LYS A 109 36.258 25.756 -39.301 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.857 27.224 -38.165 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.196 27.166 -39.884 1.00 21.34 H new ATOM 0 HG2 LYS A 109 37.066 29.343 -40.196 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.681 29.400 -38.487 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.543 29.111 -39.445 1.00 1.02 H new ATOM 0 HD3 LYS A 109 38.780 30.684 -39.319 1.00 1.02 H new ATOM 0 HE2 LYS A 109 38.513 30.511 -36.968 1.00 51.12 H new ATOM 0 HE3 LYS A 109 38.713 28.770 -36.977 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 40.682 29.875 -36.138 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 41.043 29.069 -37.588 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 40.849 30.756 -37.580 1.00 73.22 H new ATOM 659 N GLU A 110 34.457 28.408 -38.610 1.00 44.12 N ATOM 660 CA GLU A 110 33.464 28.948 -37.689 1.00 65.03 C ATOM 661 C GLU A 110 32.254 28.022 -37.587 1.00 4.22 C ATOM 662 O GLU A 110 31.670 27.862 -36.517 1.00 42.42 O ATOM 663 CB GLU A 110 33.018 30.339 -38.142 1.00 51.22 C ATOM 664 CG GLU A 110 32.378 30.354 -39.520 1.00 52.11 C ATOM 665 CD GLU A 110 32.406 31.727 -40.162 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.467 32.110 -40.698 1.00 50.24 O ATOM 667 OE2 GLU A 110 31.367 32.419 -40.129 1.00 64.00 O1- ATOM 0 H GLU A 110 34.587 28.956 -39.460 1.00 44.12 H new ATOM 0 HA GLU A 110 33.925 29.025 -36.704 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.309 30.738 -37.417 1.00 51.22 H new ATOM 0 HB3 GLU A 110 33.881 31.005 -38.144 1.00 51.22 H new ATOM 0 HG2 GLU A 110 32.897 29.645 -40.165 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.345 30.015 -39.440 1.00 52.11 H new ATOM 674 N ASP A 111 31.886 27.415 -38.710 1.00 31.12 N ATOM 675 CA ASP A 111 30.748 26.505 -38.750 1.00 2.31 C ATOM 676 C ASP A 111 30.941 25.352 -37.771 1.00 54.23 C ATOM 677 O ASP A 111 30.108 25.125 -36.893 1.00 72.33 O ATOM 678 CB ASP A 111 30.552 25.961 -40.165 1.00 61.15 C ATOM 679 CG ASP A 111 29.209 25.279 -40.343 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.515 25.584 -41.335 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.854 24.439 -39.489 1.00 75.41 O1- ATOM 0 H ASP A 111 32.360 27.537 -39.605 1.00 31.12 H new ATOM 0 HA ASP A 111 29.858 27.062 -38.457 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.639 26.779 -40.881 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.349 25.253 -40.392 1.00 61.15 H new ATOM 686 N GLU A 112 32.044 24.626 -37.928 1.00 32.13 N ATOM 687 CA GLU A 112 32.343 23.495 -37.059 1.00 62.34 C ATOM 688 C GLU A 112 32.394 23.930 -35.598 1.00 34.15 C ATOM 689 O GLU A 112 31.924 23.218 -34.711 1.00 35.11 O ATOM 690 CB GLU A 112 33.674 22.854 -37.458 1.00 32.10 C ATOM 691 CG GLU A 112 34.005 21.596 -36.673 1.00 0.21 C ATOM 692 CD GLU A 112 35.497 21.387 -36.507 1.00 23.14 C ATOM 693 OE1 GLU A 112 36.171 22.302 -35.989 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.991 20.307 -36.895 1.00 14.24 O1- ATOM 0 H GLU A 112 32.744 24.801 -38.649 1.00 32.13 H new ATOM 0 HA GLU A 112 31.545 22.761 -37.174 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.647 22.612 -38.520 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.474 23.581 -37.317 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.538 21.653 -35.690 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.575 20.732 -37.180 1.00 0.21 H new ATOM 701 N GLU A 113 32.968 25.104 -35.355 1.00 34.35 N ATOM 702 CA GLU A 113 33.082 25.633 -34.002 1.00 1.04 C ATOM 703 C GLU A 113 31.704 25.813 -33.370 1.00 62.52 C ATOM 704 O GLU A 113 31.401 25.216 -32.339 1.00 62.44 O ATOM 705 CB GLU A 113 33.828 26.970 -34.014 1.00 30.23 C ATOM 706 CG GLU A 113 33.922 27.626 -32.647 1.00 33.05 C ATOM 707 CD GLU A 113 34.784 26.840 -31.679 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.884 26.407 -32.081 1.00 5.24 O ATOM 709 OE2 GLU A 113 34.357 26.657 -30.519 1.00 53.21 O1- ATOM 0 H GLU A 113 33.361 25.707 -36.078 1.00 34.35 H new ATOM 0 HA GLU A 113 33.646 24.916 -33.405 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.834 26.812 -34.402 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.325 27.651 -34.701 1.00 30.23 H new ATOM 0 HG2 GLU A 113 34.331 28.630 -32.758 1.00 33.05 H new ATOM 0 HG3 GLU A 113 32.920 27.733 -32.230 1.00 33.05 H new ATOM 716 N GLN A 114 30.876 26.642 -33.998 1.00 21.15 N ATOM 717 CA GLN A 114 29.531 26.902 -33.498 1.00 15.15 C ATOM 718 C GLN A 114 28.753 25.601 -33.328 1.00 12.24 C ATOM 719 O GLN A 114 28.026 25.423 -32.350 1.00 54.31 O ATOM 720 CB GLN A 114 28.783 27.839 -34.447 1.00 72.44 C ATOM 721 CG GLN A 114 29.225 29.289 -34.344 1.00 22.33 C ATOM 722 CD GLN A 114 28.292 30.237 -35.072 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.590 31.035 -34.450 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.278 30.154 -36.397 1.00 40.41 N ATOM 0 H GLN A 114 31.113 27.145 -34.853 1.00 21.15 H new ATOM 0 HA GLN A 114 29.619 27.381 -32.523 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.927 27.496 -35.471 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.715 27.778 -34.238 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.279 29.574 -33.293 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.230 29.388 -34.754 1.00 22.33 H new ATOM 0 HE21 GLN A 114 28.876 29.478 -36.872 1.00 40.41 H new ATOM 0 HE22 GLN A 114 27.669 30.766 -36.940 1.00 40.41 H new ATOM 733 N LEU A 115 28.908 24.696 -34.288 1.00 24.11 N ATOM 734 CA LEU A 115 28.218 23.411 -34.247 1.00 72.35 C ATOM 735 C LEU A 115 28.699 22.574 -33.065 1.00 40.11 C ATOM 736 O LEU A 115 27.909 21.896 -32.411 1.00 41.13 O ATOM 737 CB LEU A 115 28.442 22.647 -35.553 1.00 4.21 C ATOM 738 CG LEU A 115 27.231 21.898 -36.108 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.559 21.278 -37.457 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.768 20.831 -35.126 1.00 4.03 C ATOM 0 H LEU A 115 29.505 24.828 -35.104 1.00 24.11 H new ATOM 0 HA LEU A 115 27.152 23.602 -34.124 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.785 23.353 -36.309 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.248 21.930 -35.397 1.00 4.21 H new ATOM 0 HG LEU A 115 26.419 22.612 -36.248 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.685 20.749 -37.836 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.841 22.063 -38.159 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.386 20.577 -37.344 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.905 20.308 -35.538 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.576 20.120 -34.954 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.491 21.301 -34.182 1.00 4.03 H new ATOM 752 N MET A 116 30.000 22.628 -32.799 1.00 70.42 N ATOM 753 CA MET A 116 30.585 21.877 -31.695 1.00 64.52 C ATOM 754 C MET A 116 30.043 22.367 -30.356 1.00 75.03 C ATOM 755 O MET A 116 29.456 21.599 -29.593 1.00 41.14 O ATOM 756 CB MET A 116 32.110 22.002 -31.716 1.00 43.44 C ATOM 757 CG MET A 116 32.803 21.169 -30.651 1.00 45.44 C ATOM 758 SD MET A 116 33.280 22.143 -29.210 1.00 64.42 S ATOM 759 CE MET A 116 34.866 21.410 -28.815 1.00 64.32 C ATOM 0 H MET A 116 30.669 23.184 -33.333 1.00 70.42 H new ATOM 0 HA MET A 116 30.311 20.829 -31.817 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.477 21.701 -32.697 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.382 23.049 -31.581 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.140 20.363 -30.337 1.00 45.44 H new ATOM 0 HG3 MET A 116 33.690 20.703 -31.080 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.289 21.907 -27.942 1.00 64.32 H new ATOM 0 HE2 MET A 116 34.733 20.350 -28.600 1.00 64.32 H new ATOM 0 HE3 MET A 116 35.542 21.526 -29.662 1.00 64.32 H new ATOM 769 N THR A 117 30.243 23.651 -30.076 1.00 23.24 N ATOM 770 CA THR A 117 29.774 24.242 -28.828 1.00 45.12 C ATOM 771 C THR A 117 28.291 23.971 -28.614 1.00 55.01 C ATOM 772 O THR A 117 27.874 23.578 -27.525 1.00 75.24 O ATOM 773 CB THR A 117 30.015 25.764 -28.804 1.00 45.34 C ATOM 774 OG1 THR A 117 29.417 26.336 -27.636 1.00 40.01 O ATOM 775 CG2 THR A 117 29.442 26.423 -30.049 1.00 22.51 C ATOM 0 H THR A 117 30.726 24.301 -30.696 1.00 23.24 H new ATOM 0 HA THR A 117 30.344 23.777 -28.024 1.00 45.12 H new ATOM 0 HB THR A 117 31.091 25.939 -28.783 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.576 27.303 -27.627 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.624 27.497 -30.009 1.00 22.51 H new ATOM 0 HG22 THR A 117 29.921 26.006 -30.935 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.369 26.239 -30.097 1.00 22.51 H new ATOM 783 N GLU A 118 27.497 24.182 -29.660 1.00 13.24 N ATOM 784 CA GLU A 118 26.059 23.959 -29.584 1.00 64.41 C ATOM 785 C GLU A 118 25.746 22.473 -29.423 1.00 71.35 C ATOM 786 O GLU A 118 24.836 22.096 -28.685 1.00 2.31 O ATOM 787 CB GLU A 118 25.369 24.504 -30.836 1.00 42.20 C ATOM 788 CG GLU A 118 24.956 25.961 -30.718 1.00 62.40 C ATOM 789 CD GLU A 118 23.624 26.135 -30.012 1.00 32.23 C ATOM 790 OE1 GLU A 118 22.940 25.116 -29.778 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.267 27.288 -29.693 1.00 51.30 O1- ATOM 0 H GLU A 118 27.826 24.507 -30.569 1.00 13.24 H new ATOM 0 HA GLU A 118 25.681 24.489 -28.710 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.040 24.393 -31.688 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.486 23.901 -31.046 1.00 42.20 H new ATOM 0 HG2 GLU A 118 25.725 26.510 -30.175 1.00 62.40 H new ATOM 0 HG3 GLU A 118 24.895 26.399 -31.714 1.00 62.40 H new ATOM 798 N PHE A 119 26.506 21.636 -30.120 1.00 72.35 N ATOM 799 CA PHE A 119 26.310 20.192 -30.056 1.00 31.24 C ATOM 800 C PHE A 119 26.535 19.674 -28.639 1.00 51.21 C ATOM 801 O PHE A 119 25.935 18.683 -28.224 1.00 74.52 O ATOM 802 CB PHE A 119 27.258 19.484 -31.027 1.00 12.54 C ATOM 803 CG PHE A 119 27.462 18.030 -30.712 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.590 17.607 -30.028 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.525 17.086 -31.101 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.780 16.269 -29.737 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.709 15.747 -30.812 1.00 3.12 C ATOM 808 CZ PHE A 119 27.838 15.338 -30.130 1.00 63.33 C ATOM 0 H PHE A 119 27.263 21.932 -30.736 1.00 72.35 H new ATOM 0 HA PHE A 119 25.280 19.977 -30.342 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.864 19.577 -32.039 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.224 19.990 -31.013 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.329 18.331 -29.719 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.641 17.400 -31.636 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.664 15.952 -29.203 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.971 15.021 -31.119 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.984 14.292 -29.904 1.00 63.33 H new ATOM 818 N LYS A 120 27.406 20.353 -27.900 1.00 14.44 N ATOM 819 CA LYS A 120 27.712 19.965 -26.527 1.00 23.11 C ATOM 820 C LYS A 120 26.670 20.518 -25.560 1.00 34.44 C ATOM 821 O LYS A 120 26.321 19.872 -24.572 1.00 62.52 O ATOM 822 CB LYS A 120 29.104 20.461 -26.134 1.00 32.24 C ATOM 823 CG LYS A 120 30.182 19.396 -26.235 1.00 15.35 C ATOM 824 CD LYS A 120 31.562 20.011 -26.402 1.00 0.00 C ATOM 825 CE LYS A 120 31.922 20.899 -25.219 1.00 12.11 C ATOM 826 NZ LYS A 120 33.369 21.246 -25.208 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.913 21.175 -28.229 1.00 14.44 H new ATOM 0 HA LYS A 120 27.692 18.877 -26.470 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.375 21.301 -26.773 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.071 20.836 -25.111 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.166 18.775 -25.339 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.970 18.742 -27.081 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.305 19.220 -26.504 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.592 20.597 -27.321 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.329 21.813 -25.257 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.663 20.390 -24.291 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.575 21.851 -24.388 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.934 20.375 -25.146 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.611 21.754 -26.083 1.00 75.10 H new ATOM 840 N LYS A 121 26.176 21.716 -25.852 1.00 31.11 N ATOM 841 CA LYS A 121 25.172 22.355 -25.009 1.00 75.21 C ATOM 842 C LYS A 121 23.804 21.712 -25.211 1.00 2.10 C ATOM 843 O LYS A 121 23.008 21.617 -24.277 1.00 52.44 O ATOM 844 CB LYS A 121 25.095 23.852 -25.321 1.00 1.02 C ATOM 845 CG LYS A 121 23.982 24.216 -26.288 1.00 1.41 C ATOM 846 CD LYS A 121 24.103 25.654 -26.761 1.00 43.52 C ATOM 847 CE LYS A 121 23.949 26.636 -25.610 1.00 20.23 C ATOM 848 NZ LYS A 121 23.214 27.864 -26.021 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.454 22.264 -26.666 1.00 31.11 H new ATOM 0 HA LYS A 121 25.467 22.221 -23.968 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.951 24.401 -24.391 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.048 24.177 -25.738 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.011 23.546 -27.147 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.016 24.071 -25.804 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.072 25.801 -27.238 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.343 25.855 -27.516 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.418 26.153 -24.790 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.934 26.912 -25.234 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.131 28.507 -25.208 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.733 28.339 -26.787 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.264 27.604 -26.356 1.00 31.14 H new ATOM 862 N VAL A 122 23.536 21.271 -26.436 1.00 23.10 N ATOM 863 CA VAL A 122 22.265 20.635 -26.759 1.00 13.41 C ATOM 864 C VAL A 122 22.209 19.212 -26.215 1.00 52.23 C ATOM 865 O VAL A 122 21.143 18.599 -26.159 1.00 71.34 O ATOM 866 CB VAL A 122 22.024 20.603 -28.280 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.027 22.012 -28.852 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.069 19.737 -28.965 1.00 1.45 C ATOM 0 H VAL A 122 24.183 21.343 -27.221 1.00 23.10 H new ATOM 0 HA VAL A 122 21.483 21.231 -26.288 1.00 13.41 H new ATOM 0 HB VAL A 122 21.043 20.165 -28.466 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.855 21.968 -29.927 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.237 22.597 -28.382 1.00 0.12 H new ATOM 0 HG13 VAL A 122 22.991 22.482 -28.657 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.884 19.725 -30.039 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.062 20.144 -28.772 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.011 18.721 -28.576 1.00 1.45 H new ATOM 878 N LEU A 123 23.365 18.691 -25.817 1.00 4.14 N ATOM 879 CA LEU A 123 23.449 17.339 -25.278 1.00 53.40 C ATOM 880 C LEU A 123 23.162 17.331 -23.779 1.00 25.13 C ATOM 881 O LEU A 123 22.551 16.398 -23.257 1.00 61.25 O ATOM 882 CB LEU A 123 24.833 16.746 -25.546 1.00 74.02 C ATOM 883 CG LEU A 123 24.992 15.981 -26.861 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.063 16.545 -27.923 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.438 16.028 -27.333 1.00 1.21 C ATOM 0 H LEU A 123 24.257 19.185 -25.858 1.00 4.14 H new ATOM 0 HA LEU A 123 22.696 16.729 -25.777 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.563 17.556 -25.529 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.084 16.074 -24.725 1.00 74.02 H new ATOM 0 HG LEU A 123 24.721 14.939 -26.689 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.191 15.988 -28.851 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.030 16.458 -27.586 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.301 17.595 -28.094 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.533 15.479 -28.270 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.737 17.065 -27.488 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.082 15.574 -26.579 1.00 1.21 H new ATOM 897 N LEU A 124 23.607 18.378 -23.093 1.00 54.13 N ATOM 898 CA LEU A 124 23.396 18.494 -21.653 1.00 75.34 C ATOM 899 C LEU A 124 22.108 19.254 -21.351 1.00 14.20 C ATOM 900 O LEU A 124 21.463 19.018 -20.330 1.00 71.21 O ATOM 901 CB LEU A 124 24.584 19.201 -20.999 1.00 22.35 C ATOM 902 CG LEU A 124 25.909 18.438 -21.010 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.975 19.207 -20.247 1.00 33.13 C ATOM 904 CD2 LEU A 124 25.727 17.047 -20.420 1.00 45.33 C ATOM 0 H LEU A 124 24.116 19.158 -23.509 1.00 54.13 H new ATOM 0 HA LEU A 124 23.308 17.489 -21.241 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.734 20.156 -21.502 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.324 19.423 -19.964 1.00 22.35 H new ATOM 0 HG LEU A 124 26.237 18.333 -22.044 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.911 18.648 -20.266 1.00 33.13 H new ATOM 0 HD12 LEU A 124 27.125 20.181 -20.713 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.655 19.344 -19.214 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.680 16.518 -20.436 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.375 17.131 -19.392 1.00 45.33 H new ATOM 0 HD23 LEU A 124 24.995 16.495 -21.010 1.00 45.33 H new ATOM 916 N GLU A 125 21.741 20.166 -22.246 1.00 14.41 N ATOM 917 CA GLU A 125 20.529 20.958 -22.075 1.00 41.11 C ATOM 918 C GLU A 125 19.343 20.069 -21.715 1.00 63.43 C ATOM 919 O GLU A 125 18.722 20.215 -20.662 1.00 14.15 O ATOM 920 CB GLU A 125 20.223 21.745 -23.352 1.00 64.13 C ATOM 921 CG GLU A 125 18.740 21.984 -23.578 1.00 62.33 C ATOM 922 CD GLU A 125 18.473 23.041 -24.633 1.00 4.53 C ATOM 923 OE1 GLU A 125 19.286 23.981 -24.747 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.453 22.926 -25.344 1.00 3.44 O1- ATOM 0 H GLU A 125 22.265 20.374 -23.096 1.00 14.41 H new ATOM 0 HA GLU A 125 20.696 21.658 -21.257 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.735 22.706 -23.308 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.630 21.206 -24.207 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.267 21.049 -23.878 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.278 22.288 -22.639 1.00 62.33 H new ATOM 931 N PRO A 126 19.018 19.126 -22.611 1.00 30.12 N ATOM 932 CA PRO A 126 17.905 18.193 -22.412 1.00 22.40 C ATOM 933 C PRO A 126 18.186 17.183 -21.303 1.00 25.33 C ATOM 934 O PRO A 126 19.341 16.908 -20.979 1.00 41.31 O ATOM 935 CB PRO A 126 17.788 17.484 -23.763 1.00 61.24 C ATOM 936 CG PRO A 126 19.149 17.584 -24.362 1.00 12.33 C ATOM 937 CD PRO A 126 19.715 18.895 -23.889 1.00 0.12 C ATOM 0 HA PRO A 126 16.994 18.707 -22.105 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.485 16.444 -23.640 1.00 61.24 H new ATOM 0 HB3 PRO A 126 17.040 17.961 -24.397 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.777 16.751 -24.045 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.100 17.550 -25.450 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.795 18.841 -23.754 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.523 19.697 -24.602 1.00 0.12 H new ATOM 945 N GLY A 127 17.122 16.634 -20.727 1.00 43.42 N ATOM 946 CA GLY A 127 17.276 15.661 -19.661 1.00 51.41 C ATOM 947 C GLY A 127 17.342 14.238 -20.180 1.00 23.25 C ATOM 948 O GLY A 127 17.820 13.339 -19.489 1.00 21.10 O ATOM 0 H GLY A 127 16.156 16.845 -20.979 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.184 15.882 -19.100 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.441 15.753 -18.966 1.00 51.41 H new ATOM 952 N SER A 128 16.859 14.033 -21.402 1.00 64.24 N ATOM 953 CA SER A 128 16.861 12.708 -22.011 1.00 14.15 C ATOM 954 C SER A 128 18.213 12.404 -22.648 1.00 43.42 C ATOM 955 O SER A 128 18.290 11.999 -23.807 1.00 75.43 O ATOM 956 CB SER A 128 15.754 12.607 -23.064 1.00 12.14 C ATOM 957 OG SER A 128 14.630 13.388 -22.699 1.00 41.51 O ATOM 0 H SER A 128 16.462 14.767 -21.989 1.00 64.24 H new ATOM 0 HA SER A 128 16.676 11.974 -21.227 1.00 14.15 H new ATOM 0 HB2 SER A 128 16.135 12.941 -24.029 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.454 11.566 -23.182 1.00 12.14 H new ATOM 0 HG SER A 128 13.938 13.308 -23.388 1.00 41.51 H new ATOM 963 N LYS A 129 19.279 12.604 -21.880 1.00 13.44 N ATOM 964 CA LYS A 129 20.631 12.350 -22.366 1.00 70.44 C ATOM 965 C LYS A 129 20.775 10.910 -22.846 1.00 11.20 C ATOM 966 O LYS A 129 21.723 10.575 -23.554 1.00 23.24 O ATOM 967 CB LYS A 129 21.652 12.636 -21.263 1.00 55.21 C ATOM 968 CG LYS A 129 21.538 14.032 -20.675 1.00 13.43 C ATOM 969 CD LYS A 129 22.218 14.123 -19.318 1.00 2.32 C ATOM 970 CE LYS A 129 21.236 13.875 -18.185 1.00 34.02 C ATOM 971 NZ LYS A 129 21.931 13.533 -16.913 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.233 12.941 -20.918 1.00 13.44 H new ATOM 0 HA LYS A 129 20.819 13.015 -23.209 1.00 70.44 H new ATOM 0 HB2 LYS A 129 21.527 11.904 -20.465 1.00 55.21 H new ATOM 0 HB3 LYS A 129 22.656 12.501 -21.665 1.00 55.21 H new ATOM 0 HG2 LYS A 129 21.988 14.753 -21.357 1.00 13.43 H new ATOM 0 HG3 LYS A 129 20.486 14.301 -20.575 1.00 13.43 H new ATOM 0 HD2 LYS A 129 23.027 13.394 -19.266 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.669 15.109 -19.201 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.622 14.763 -18.036 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.562 13.064 -18.460 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 21.227 13.371 -16.165 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 22.497 12.671 -17.048 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.555 14.318 -16.637 1.00 60.14 H new ATOM 985 N ASN A 130 19.828 10.063 -22.457 1.00 50.25 N ATOM 986 CA ASN A 130 19.850 8.658 -22.849 1.00 20.54 C ATOM 987 C ASN A 130 19.178 8.461 -24.204 1.00 24.34 C ATOM 988 O ASN A 130 18.701 7.371 -24.521 1.00 52.01 O ATOM 989 CB ASN A 130 19.152 7.801 -21.791 1.00 13.43 C ATOM 990 CG ASN A 130 19.493 8.233 -20.378 1.00 62.11 C ATOM 991 OD1 ASN A 130 20.645 8.542 -20.073 1.00 43.45 O ATOM 992 ND2 ASN A 130 18.490 8.257 -19.509 1.00 30.42 N ATOM 0 H ASN A 130 19.036 10.325 -21.871 1.00 50.25 H new ATOM 0 HA ASN A 130 20.891 8.345 -22.931 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.073 7.859 -21.935 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.436 6.758 -21.927 1.00 13.43 H new ATOM 0 HD21 ASN A 130 18.658 8.540 -18.544 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.551 7.992 -19.807 1.00 30.42 H new ATOM 999 N LEU A 131 19.145 9.524 -25.002 1.00 22.31 N ATOM 1000 CA LEU A 131 18.532 9.468 -26.324 1.00 15.12 C ATOM 1001 C LEU A 131 19.533 8.985 -27.369 1.00 65.34 C ATOM 1002 O LEU A 131 20.741 8.982 -27.130 1.00 42.41 O ATOM 1003 CB LEU A 131 17.993 10.845 -26.716 1.00 11.43 C ATOM 1004 CG LEU A 131 19.008 11.989 -26.715 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.685 12.104 -28.072 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.334 13.300 -26.340 1.00 50.13 C ATOM 0 H LEU A 131 19.535 10.434 -24.756 1.00 22.31 H new ATOM 0 HA LEU A 131 17.706 8.758 -26.284 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.559 10.772 -27.713 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.183 11.104 -26.034 1.00 11.43 H new ATOM 0 HG LEU A 131 19.772 11.770 -25.969 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.404 12.923 -28.052 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.203 11.173 -28.300 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.934 12.299 -28.838 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.072 14.103 -26.344 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.549 13.525 -27.062 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.898 13.213 -25.345 1.00 50.13 H new ATOM 1018 N SER A 132 19.024 8.580 -28.527 1.00 12.44 N ATOM 1019 CA SER A 132 19.874 8.094 -29.608 1.00 34.35 C ATOM 1020 C SER A 132 20.817 9.190 -30.092 1.00 0.35 C ATOM 1021 O SER A 132 20.433 10.357 -30.187 1.00 24.34 O ATOM 1022 CB SER A 132 19.016 7.592 -30.772 1.00 71.11 C ATOM 1023 OG SER A 132 19.032 8.510 -31.851 1.00 74.41 O ATOM 0 H SER A 132 18.027 8.578 -28.742 1.00 12.44 H new ATOM 0 HA SER A 132 20.473 7.268 -29.224 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.386 6.624 -31.109 1.00 71.11 H new ATOM 0 HB3 SER A 132 17.991 7.442 -30.434 1.00 71.11 H new ATOM 0 HG SER A 132 19.081 8.019 -32.698 1.00 74.41 H new ATOM 1029 N ILE A 133 22.052 8.807 -30.398 1.00 2.43 N ATOM 1030 CA ILE A 133 23.051 9.756 -30.874 1.00 72.04 C ATOM 1031 C ILE A 133 22.592 10.439 -32.158 1.00 24.01 C ATOM 1032 O ILE A 133 23.089 11.506 -32.518 1.00 53.43 O ATOM 1033 CB ILE A 133 24.405 9.069 -31.126 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.423 10.079 -31.661 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.239 7.911 -32.099 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.801 9.927 -31.055 1.00 63.31 C ATOM 0 H ILE A 133 22.385 7.846 -30.325 1.00 2.43 H new ATOM 0 HA ILE A 133 23.174 10.505 -30.091 1.00 72.04 H new ATOM 0 HB ILE A 133 24.776 8.673 -30.180 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.497 9.970 -32.743 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.059 11.088 -31.466 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.205 7.435 -32.267 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.544 7.182 -31.682 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.849 8.284 -33.046 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.470 10.675 -31.480 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.741 10.066 -29.976 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.186 8.931 -31.272 1.00 63.31 H new ATOM 1048 N TYR A 134 21.640 9.816 -32.845 1.00 51.34 N ATOM 1049 CA TYR A 134 21.115 10.363 -34.090 1.00 14.53 C ATOM 1050 C TYR A 134 20.364 11.667 -33.839 1.00 72.13 C ATOM 1051 O TYR A 134 20.415 12.591 -34.650 1.00 64.14 O ATOM 1052 CB TYR A 134 20.188 9.350 -34.766 1.00 10.23 C ATOM 1053 CG TYR A 134 20.097 9.518 -36.265 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.601 8.550 -37.125 1.00 75.12 C ATOM 1055 CD2 TYR A 134 19.506 10.646 -36.823 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.520 8.701 -38.495 1.00 43.31 C ATOM 1057 CE2 TYR A 134 19.420 10.804 -38.193 1.00 22.22 C ATOM 1058 CZ TYR A 134 19.929 9.829 -39.024 1.00 2.11 C ATOM 1059 OH TYR A 134 19.845 9.981 -40.390 1.00 3.43 O ATOM 0 H TYR A 134 21.217 8.933 -32.561 1.00 51.34 H new ATOM 0 HA TYR A 134 21.958 10.571 -34.749 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.540 8.343 -34.543 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.190 9.441 -34.337 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.064 7.665 -36.715 1.00 75.12 H new ATOM 0 HD2 TYR A 134 19.107 11.412 -36.174 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.918 7.939 -39.149 1.00 43.31 H new ATOM 0 HE2 TYR A 134 18.957 11.686 -38.610 1.00 22.22 H new ATOM 0 HH TYR A 134 19.400 10.829 -40.598 1.00 3.43 H new ATOM 1069 N GLN A 135 19.668 11.732 -32.709 1.00 15.24 N ATOM 1070 CA GLN A 135 18.906 12.923 -32.349 1.00 3.44 C ATOM 1071 C GLN A 135 19.832 14.044 -31.892 1.00 63.55 C ATOM 1072 O GLN A 135 19.646 15.206 -32.255 1.00 15.31 O ATOM 1073 CB GLN A 135 17.898 12.595 -31.246 1.00 23.05 C ATOM 1074 CG GLN A 135 17.237 11.237 -31.410 1.00 5.20 C ATOM 1075 CD GLN A 135 16.828 10.956 -32.843 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.347 11.842 -33.549 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.018 9.717 -33.281 1.00 23.23 N ATOM 0 H GLN A 135 19.616 10.975 -32.027 1.00 15.24 H new ATOM 0 HA GLN A 135 18.367 13.261 -33.234 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.404 12.629 -30.281 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.127 13.365 -31.229 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.923 10.460 -31.073 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.357 11.185 -30.768 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.420 9.013 -32.662 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.762 9.469 -34.237 1.00 23.23 H new ATOM 1086 N THR A 136 20.832 13.690 -31.089 1.00 4.35 N ATOM 1087 CA THR A 136 21.786 14.666 -30.580 1.00 41.33 C ATOM 1088 C THR A 136 22.412 15.468 -31.715 1.00 13.53 C ATOM 1089 O THR A 136 22.379 16.699 -31.711 1.00 52.25 O ATOM 1090 CB THR A 136 22.906 13.987 -29.769 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.299 12.765 -30.405 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.447 13.698 -28.348 1.00 12.34 C ATOM 0 H THR A 136 21.001 12.733 -30.778 1.00 4.35 H new ATOM 0 HA THR A 136 21.230 15.339 -29.927 1.00 41.33 H new ATOM 0 HB THR A 136 23.757 14.667 -29.728 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.841 12.683 -31.268 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.255 13.219 -27.795 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.175 14.632 -27.856 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.582 13.036 -28.373 1.00 12.34 H new ATOM 1100 N LEU A 137 22.979 14.763 -32.688 1.00 40.20 N ATOM 1101 CA LEU A 137 23.612 15.410 -33.832 1.00 24.30 C ATOM 1102 C LEU A 137 22.573 16.088 -34.718 1.00 25.13 C ATOM 1103 O LEU A 137 22.726 17.249 -35.100 1.00 73.04 O ATOM 1104 CB LEU A 137 24.407 14.388 -34.647 1.00 71.51 C ATOM 1105 CG LEU A 137 25.666 14.911 -35.337 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.643 15.468 -34.313 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.321 13.811 -36.159 1.00 41.53 C ATOM 0 H LEU A 137 23.013 13.744 -32.708 1.00 40.20 H new ATOM 0 HA LEU A 137 24.293 16.173 -33.455 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.693 13.570 -33.986 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.748 13.968 -35.407 1.00 71.51 H new ATOM 0 HG LEU A 137 25.379 15.718 -36.011 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.534 15.836 -34.822 1.00 42.21 H new ATOM 0 HD12 LEU A 137 26.172 16.287 -33.769 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.924 14.681 -33.613 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.216 14.202 -36.643 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.595 12.982 -35.506 1.00 41.53 H new ATOM 0 HD23 LEU A 137 25.622 13.459 -36.918 1.00 41.53 H new ATOM 1119 N LEU A 138 21.512 15.355 -35.043 1.00 10.14 N ATOM 1120 CA LEU A 138 20.444 15.886 -35.883 1.00 31.24 C ATOM 1121 C LEU A 138 19.945 17.225 -35.350 1.00 11.02 C ATOM 1122 O LEU A 138 19.800 18.187 -36.102 1.00 71.33 O ATOM 1123 CB LEU A 138 19.285 14.889 -35.956 1.00 41.12 C ATOM 1124 CG LEU A 138 18.100 15.303 -36.831 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.471 14.083 -37.487 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.069 16.060 -36.007 1.00 22.45 C ATOM 0 H LEU A 138 21.369 14.392 -34.738 1.00 10.14 H new ATOM 0 HA LEU A 138 20.846 16.043 -36.884 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.671 13.940 -36.327 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.920 14.711 -34.944 1.00 41.12 H new ATOM 0 HG LEU A 138 18.465 15.965 -37.616 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.630 14.396 -38.106 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.212 13.582 -38.109 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.120 13.396 -36.717 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.233 16.347 -36.645 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.708 15.422 -35.201 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.527 16.954 -35.584 1.00 22.45 H new ATOM 1138 N ALA A 139 19.690 17.278 -34.047 1.00 11.23 N ATOM 1139 CA ALA A 139 19.211 18.501 -33.412 1.00 25.20 C ATOM 1140 C ALA A 139 20.276 19.592 -33.453 1.00 1.41 C ATOM 1141 O ALA A 139 20.019 20.707 -33.906 1.00 21.21 O ATOM 1142 CB ALA A 139 18.794 18.221 -31.976 1.00 44.04 C ATOM 0 H ALA A 139 19.807 16.490 -33.410 1.00 11.23 H new ATOM 0 HA ALA A 139 18.343 18.855 -33.968 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.439 19.142 -31.514 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.995 17.479 -31.967 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.649 17.841 -31.416 1.00 44.04 H new ATOM 1148 N ALA A 140 21.472 19.264 -32.975 1.00 70.34 N ATOM 1149 CA ALA A 140 22.575 20.217 -32.958 1.00 73.32 C ATOM 1150 C ALA A 140 22.800 20.821 -34.340 1.00 31.53 C ATOM 1151 O ALA A 140 23.054 22.019 -34.472 1.00 61.43 O ATOM 1152 CB ALA A 140 23.846 19.543 -32.462 1.00 20.30 C ATOM 0 H ALA A 140 21.702 18.346 -32.595 1.00 70.34 H new ATOM 0 HA ALA A 140 22.314 21.025 -32.275 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.662 20.266 -32.454 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.687 19.165 -31.452 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.101 18.715 -33.124 1.00 20.30 H new ATOM 1158 N HIS A 141 22.706 19.985 -35.370 1.00 1.44 N ATOM 1159 CA HIS A 141 22.899 20.438 -36.742 1.00 35.23 C ATOM 1160 C HIS A 141 21.781 21.387 -37.164 1.00 23.11 C ATOM 1161 O HIS A 141 22.029 22.552 -37.474 1.00 71.12 O ATOM 1162 CB HIS A 141 22.952 19.242 -37.693 1.00 54.14 C ATOM 1163 CG HIS A 141 23.241 19.618 -39.114 1.00 62.40 C ATOM 1164 ND1 HIS A 141 24.506 19.580 -39.661 1.00 11.41 N ATOM 1165 CD2 HIS A 141 22.418 20.040 -40.102 1.00 55.51 C ATOM 1166 CE1 HIS A 141 24.450 19.965 -40.923 1.00 43.34 C ATOM 1167 NE2 HIS A 141 23.193 20.249 -41.216 1.00 1.53 N ATOM 0 H HIS A 141 22.497 18.991 -35.280 1.00 1.44 H new ATOM 0 HA HIS A 141 23.846 20.975 -36.791 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.717 18.547 -37.347 1.00 54.14 H new ATOM 0 HB3 HIS A 141 22.000 18.714 -37.652 1.00 54.14 H new ATOM 0 HD2 HIS A 141 21.350 20.185 -40.028 1.00 55.51 H new ATOM 0 HE1 HIS A 141 25.288 20.036 -41.600 1.00 43.34 H new ATOM 0 HE2 HIS A 141 22.854 20.571 -42.122 1.00 1.53 H new ATOM 1176 N GLU A 142 20.553 20.881 -37.173 1.00 21.22 N ATOM 1177 CA GLU A 142 19.399 21.684 -37.559 1.00 60.01 C ATOM 1178 C GLU A 142 19.354 22.987 -36.766 1.00 12.12 C ATOM 1179 O GLU A 142 18.983 24.036 -37.296 1.00 65.25 O ATOM 1180 CB GLU A 142 18.104 20.897 -37.340 1.00 0.33 C ATOM 1181 CG GLU A 142 18.057 19.581 -38.098 1.00 13.53 C ATOM 1182 CD GLU A 142 17.245 19.672 -39.375 1.00 12.43 C ATOM 1183 OE1 GLU A 142 16.000 19.707 -39.286 1.00 13.54 O ATOM 1184 OE2 GLU A 142 17.856 19.709 -40.464 1.00 0.23 O1- ATOM 0 H GLU A 142 20.331 19.919 -36.917 1.00 21.22 H new ATOM 0 HA GLU A 142 19.495 21.925 -38.618 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.985 20.698 -36.275 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.258 21.513 -37.645 1.00 0.33 H new ATOM 0 HG2 GLU A 142 19.073 19.269 -38.339 1.00 13.53 H new ATOM 0 HG3 GLU A 142 17.631 18.811 -37.455 1.00 13.53 H new ATOM 1191 N ARG A 143 19.734 22.913 -35.495 1.00 11.21 N ATOM 1192 CA ARG A 143 19.737 24.086 -34.629 1.00 60.32 C ATOM 1193 C ARG A 143 20.786 25.096 -35.084 1.00 61.53 C ATOM 1194 O ARG A 143 20.599 26.306 -34.946 1.00 4.22 O ATOM 1195 CB ARG A 143 20.003 23.676 -33.180 1.00 31.13 C ATOM 1196 CG ARG A 143 18.770 23.157 -32.457 1.00 61.33 C ATOM 1197 CD ARG A 143 18.915 23.281 -30.948 1.00 34.34 C ATOM 1198 NE ARG A 143 18.292 22.163 -30.246 1.00 43.43 N ATOM 1199 CZ ARG A 143 16.978 21.978 -30.179 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.153 22.831 -30.770 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 16.486 20.936 -29.519 1.00 72.21 N ATOM 0 H ARG A 143 20.044 22.053 -35.042 1.00 11.21 H new ATOM 0 HA ARG A 143 18.755 24.555 -34.692 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.774 22.905 -33.165 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.399 24.533 -32.636 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.893 23.714 -32.786 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.603 22.113 -32.723 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.972 23.329 -30.688 1.00 34.34 H new ATOM 0 HD3 ARG A 143 18.463 24.215 -30.616 1.00 34.34 H new ATOM 0 HE ARG A 143 18.898 21.487 -29.782 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.526 23.633 -31.278 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.145 22.686 -30.716 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.117 20.277 -29.063 1.00 72.21 H new ATOM 0 HH22 ARG A 143 15.477 20.795 -29.468 1.00 72.21 H new ATOM 1215 N LEU A 144 21.889 24.591 -35.624 1.00 51.52 N ATOM 1216 CA LEU A 144 22.970 25.449 -36.099 1.00 34.24 C ATOM 1217 C LEU A 144 22.502 26.324 -37.257 1.00 61.12 C ATOM 1218 O LEU A 144 22.921 27.474 -37.388 1.00 51.43 O ATOM 1219 CB LEU A 144 24.166 24.601 -36.536 1.00 61.43 C ATOM 1220 CG LEU A 144 25.396 25.373 -37.017 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.231 25.837 -35.832 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.230 24.515 -37.957 1.00 54.33 C ATOM 0 H LEU A 144 22.059 23.592 -35.744 1.00 51.52 H new ATOM 0 HA LEU A 144 23.273 26.098 -35.277 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.463 23.969 -35.699 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.842 23.937 -37.338 1.00 61.43 H new ATOM 0 HG LEU A 144 25.059 26.253 -37.565 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.102 26.384 -36.193 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.631 26.488 -35.197 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.559 24.971 -35.257 1.00 42.11 H new ATOM 0 HD21 LEU A 144 27.101 25.080 -38.289 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.558 23.616 -37.435 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.629 24.233 -38.822 1.00 54.33 H new ATOM 1234 N GLN A 145 21.630 25.771 -38.095 1.00 51.00 N ATOM 1235 CA GLN A 145 21.103 26.503 -39.241 1.00 12.25 C ATOM 1236 C GLN A 145 19.666 26.945 -38.991 1.00 12.51 C ATOM 1237 O GLN A 145 18.850 26.990 -39.912 1.00 14.40 O ATOM 1238 CB GLN A 145 21.171 25.637 -40.500 1.00 54.30 C ATOM 1239 CG GLN A 145 22.525 24.980 -40.715 1.00 44.02 C ATOM 1240 CD GLN A 145 22.599 23.587 -40.121 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.600 22.868 -40.067 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.786 23.196 -39.672 1.00 40.43 N ATOM 0 H GLN A 145 21.274 24.820 -38.002 1.00 51.00 H new ATOM 0 HA GLN A 145 21.717 27.392 -39.386 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.406 24.863 -40.440 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.934 26.253 -41.368 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.733 24.927 -41.784 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.301 25.602 -40.270 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.588 23.824 -39.736 1.00 40.43 H new ATOM 0 HE22 GLN A 145 23.896 22.268 -39.263 1.00 40.43 H new ATOM 1251 N ALA A 146 19.361 27.272 -37.740 1.00 25.41 N ATOM 1252 CA ALA A 146 18.022 27.713 -37.369 1.00 61.13 C ATOM 1253 C ALA A 146 17.930 29.236 -37.355 1.00 43.10 C ATOM 1254 O ALA A 146 17.092 29.823 -38.040 1.00 53.12 O ATOM 1255 CB ALA A 146 17.637 27.147 -36.011 1.00 73.03 C ATOM 0 H ALA A 146 20.024 27.240 -36.965 1.00 25.41 H new ATOM 0 HA ALA A 146 17.323 27.339 -38.117 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.635 27.485 -35.747 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.654 26.058 -36.053 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.346 27.492 -35.259 1.00 73.03 H new ATOM 1261 N LEU A 147 18.795 29.869 -36.571 1.00 64.13 N ATOM 1262 CA LEU A 147 18.811 31.324 -36.467 1.00 53.53 C ATOM 1263 C LEU A 147 19.742 31.935 -37.510 1.00 25.45 C ATOM 1264 O LEU A 147 19.549 33.089 -37.887 1.00 52.04 O ATOM 1265 CB LEU A 147 19.249 31.750 -35.065 1.00 12.24 C ATOM 1266 CG LEU A 147 18.234 31.516 -33.945 1.00 10.30 C ATOM 1267 CD1 LEU A 147 18.214 30.050 -33.540 1.00 75.04 C ATOM 1268 CD2 LEU A 147 18.550 32.398 -32.745 1.00 34.23 C ATOM 0 H LEU A 147 19.495 29.398 -35.998 1.00 64.13 H new ATOM 0 HA LEU A 147 17.800 31.687 -36.652 1.00 53.53 H new ATOM 0 HB2 LEU A 147 20.166 31.216 -34.815 1.00 12.24 H new ATOM 0 HB3 LEU A 147 19.495 32.812 -35.090 1.00 12.24 H new ATOM 0 HG LEU A 147 17.245 31.783 -34.317 1.00 10.30 H new ATOM 0 HD11 LEU A 147 17.486 29.903 -32.742 1.00 75.04 H new ATOM 0 HD12 LEU A 147 17.939 29.439 -34.400 1.00 75.04 H new ATOM 0 HD13 LEU A 147 19.203 29.756 -33.188 1.00 75.04 H new ATOM 0 HD21 LEU A 147 17.817 32.218 -31.958 1.00 34.23 H new ATOM 0 HD22 LEU A 147 19.547 32.163 -32.373 1.00 34.23 H new ATOM 0 HD23 LEU A 147 18.512 33.446 -33.043 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 15.401 73.680 -17.167 1.00 21.13 N ATOM 1282 CA HIS B 518 16.059 72.812 -16.196 1.00 35.22 C ATOM 1283 C HIS B 518 17.222 72.063 -16.840 1.00 35.13 C ATOM 1284 O HIS B 518 17.513 72.245 -18.021 1.00 13.03 O ATOM 1285 CB HIS B 518 15.058 71.817 -15.608 1.00 50.40 C ATOM 1286 CG HIS B 518 14.066 72.444 -14.679 1.00 11.31 C ATOM 1287 ND1 HIS B 518 13.160 71.713 -13.940 1.00 51.44 N ATOM 1288 CD2 HIS B 518 13.842 73.743 -14.368 1.00 52.22 C ATOM 1289 CE1 HIS B 518 12.420 72.534 -13.217 1.00 51.12 C ATOM 1290 NE2 HIS B 518 12.814 73.772 -13.457 1.00 12.11 N ATOM 0 HA HIS B 518 16.451 73.436 -15.393 1.00 35.22 H new ATOM 0 HB2 HIS B 518 14.523 71.329 -16.422 1.00 50.40 H new ATOM 0 HB3 HIS B 518 15.603 71.039 -15.073 1.00 50.40 H new ATOM 0 HD2 HIS B 518 14.373 74.597 -14.763 1.00 52.22 H new ATOM 0 HE1 HIS B 518 11.627 72.243 -12.544 1.00 51.12 H new ATOM 0 HE2 HIS B 518 12.419 74.612 -13.035 1.00 12.11 H new ATOM 1299 N MET B 519 17.884 71.220 -16.053 1.00 20.22 N ATOM 1300 CA MET B 519 19.014 70.443 -16.547 1.00 45.23 C ATOM 1301 C MET B 519 19.109 69.102 -15.825 1.00 50.30 C ATOM 1302 O MET B 519 18.547 68.928 -14.743 1.00 40.52 O ATOM 1303 CB MET B 519 20.317 71.225 -16.365 1.00 3.13 C ATOM 1304 CG MET B 519 20.666 72.106 -17.554 1.00 31.34 C ATOM 1305 SD MET B 519 21.201 71.154 -18.989 1.00 5.43 S ATOM 1306 CE MET B 519 22.971 71.103 -18.722 1.00 34.34 C ATOM 0 H MET B 519 17.657 71.058 -15.072 1.00 20.22 H new ATOM 0 HA MET B 519 18.856 70.255 -17.609 1.00 45.23 H new ATOM 0 HB2 MET B 519 20.237 71.847 -15.473 1.00 3.13 H new ATOM 0 HB3 MET B 519 21.132 70.522 -16.192 1.00 3.13 H new ATOM 0 HG2 MET B 519 19.797 72.706 -17.824 1.00 31.34 H new ATOM 0 HG3 MET B 519 21.456 72.800 -17.268 1.00 31.34 H new ATOM 0 HE1 MET B 519 23.445 70.546 -19.530 1.00 34.34 H new ATOM 0 HE2 MET B 519 23.365 72.119 -18.702 1.00 34.34 H new ATOM 0 HE3 MET B 519 23.182 70.613 -17.771 1.00 34.34 H new ATOM 1316 N ASP B 520 19.821 68.159 -16.431 1.00 74.23 N ATOM 1317 CA ASP B 520 19.990 66.833 -15.845 1.00 31.44 C ATOM 1318 C ASP B 520 20.609 66.928 -14.454 1.00 44.32 C ATOM 1319 O ASP B 520 21.225 67.929 -14.090 1.00 1.42 O ATOM 1320 CB ASP B 520 20.863 65.961 -16.748 1.00 25.13 C ATOM 1321 CG ASP B 520 20.054 65.214 -17.791 1.00 32.35 C ATOM 1322 OD1 ASP B 520 19.080 64.533 -17.409 1.00 72.23 O ATOM 1323 OD2 ASP B 520 20.397 65.310 -18.988 1.00 3.02 O1- ATOM 0 H ASP B 520 20.291 68.287 -17.327 1.00 74.23 H new ATOM 0 HA ASP B 520 19.005 66.375 -15.753 1.00 31.44 H new ATOM 0 HB2 ASP B 520 21.603 66.587 -17.247 1.00 25.13 H new ATOM 0 HB3 ASP B 520 21.411 65.245 -16.136 1.00 25.13 H new ATOM 1328 N PRO B 521 20.442 65.862 -13.658 1.00 54.32 N ATOM 1329 CA PRO B 521 20.976 65.801 -12.295 1.00 73.43 C ATOM 1330 C PRO B 521 22.498 65.702 -12.272 1.00 14.40 C ATOM 1331 O PRO B 521 23.167 66.431 -11.540 1.00 3.11 O ATOM 1332 CB PRO B 521 20.349 64.528 -11.724 1.00 34.25 C ATOM 1333 CG PRO B 521 20.061 63.681 -12.916 1.00 74.43 C ATOM 1334 CD PRO B 521 19.718 64.634 -14.027 1.00 2.40 C ATOM 0 HA PRO B 521 20.741 66.700 -11.725 1.00 73.43 H new ATOM 0 HB2 PRO B 521 21.029 64.026 -11.036 1.00 34.25 H new ATOM 0 HB3 PRO B 521 19.439 64.750 -11.167 1.00 34.25 H new ATOM 0 HG2 PRO B 521 20.925 63.070 -13.179 1.00 74.43 H new ATOM 0 HG3 PRO B 521 19.235 62.998 -12.719 1.00 74.43 H new ATOM 0 HD2 PRO B 521 20.040 64.254 -14.996 1.00 2.40 H new ATOM 0 HD3 PRO B 521 18.644 64.805 -14.092 1.00 2.40 H new ATOM 1342 N LEU B 522 23.039 64.797 -13.080 1.00 1.11 N ATOM 1343 CA LEU B 522 24.483 64.602 -13.153 1.00 75.22 C ATOM 1344 C LEU B 522 24.847 63.645 -14.284 1.00 30.33 C ATOM 1345 O LEU B 522 23.972 63.128 -14.980 1.00 4.43 O ATOM 1346 CB LEU B 522 25.013 64.064 -11.824 1.00 22.31 C ATOM 1347 CG LEU B 522 24.563 62.653 -11.442 1.00 23.42 C ATOM 1348 CD1 LEU B 522 25.605 61.628 -11.864 1.00 31.54 C ATOM 1349 CD2 LEU B 522 24.298 62.564 -9.947 1.00 64.43 C ATOM 0 H LEU B 522 22.500 64.187 -13.694 1.00 1.11 H new ATOM 0 HA LEU B 522 24.945 65.568 -13.356 1.00 75.22 H new ATOM 0 HB2 LEU B 522 26.102 64.079 -11.858 1.00 22.31 H new ATOM 0 HB3 LEU B 522 24.709 64.748 -11.031 1.00 22.31 H new ATOM 0 HG LEU B 522 23.634 62.433 -11.968 1.00 23.42 H new ATOM 0 HD11 LEU B 522 25.268 60.630 -11.584 1.00 31.54 H new ATOM 0 HD12 LEU B 522 25.744 61.674 -12.944 1.00 31.54 H new ATOM 0 HD13 LEU B 522 26.550 61.844 -11.367 1.00 31.54 H new ATOM 0 HD21 LEU B 522 23.979 61.553 -9.694 1.00 64.43 H new ATOM 0 HD22 LEU B 522 25.210 62.804 -9.401 1.00 64.43 H new ATOM 0 HD23 LEU B 522 23.515 63.271 -9.674 1.00 64.43 H new ATOM 1361 N THR B 523 26.143 63.410 -14.460 1.00 53.05 N ATOM 1362 CA THR B 523 26.623 62.515 -15.504 1.00 40.25 C ATOM 1363 C THR B 523 27.286 61.279 -14.907 1.00 12.10 C ATOM 1364 O THR B 523 28.459 61.294 -14.534 1.00 20.21 O ATOM 1365 CB THR B 523 27.626 63.222 -16.435 1.00 32.04 C ATOM 1366 OG1 THR B 523 28.262 62.264 -17.289 1.00 63.35 O ATOM 1367 CG2 THR B 523 28.678 63.968 -15.628 1.00 73.11 C ATOM 0 H THR B 523 26.880 63.828 -13.892 1.00 53.05 H new ATOM 0 HA THR B 523 25.752 62.212 -16.085 1.00 40.25 H new ATOM 0 HB THR B 523 27.079 63.942 -17.043 1.00 32.04 H new ATOM 0 HG1 THR B 523 28.897 62.722 -17.879 1.00 63.35 H new ATOM 0 HG21 THR B 523 29.376 64.460 -16.306 1.00 73.11 H new ATOM 0 HG22 THR B 523 28.193 64.716 -15.001 1.00 73.11 H new ATOM 0 HG23 THR B 523 29.220 63.263 -14.998 1.00 73.11 H new ATOM 1375 N PRO B 524 26.521 60.182 -14.814 1.00 61.23 N ATOM 1376 CA PRO B 524 27.014 58.916 -14.263 1.00 21.31 C ATOM 1377 C PRO B 524 28.035 58.245 -15.176 1.00 11.10 C ATOM 1378 O PRO B 524 28.181 58.620 -16.340 1.00 65.14 O ATOM 1379 CB PRO B 524 25.751 58.059 -14.154 1.00 71.15 C ATOM 1380 CG PRO B 524 24.824 58.618 -15.179 1.00 14.31 C ATOM 1381 CD PRO B 524 25.113 60.092 -15.239 1.00 21.34 C ATOM 0 HA PRO B 524 27.531 59.059 -13.314 1.00 21.31 H new ATOM 0 HB2 PRO B 524 25.968 57.008 -14.347 1.00 71.15 H new ATOM 0 HB3 PRO B 524 25.318 58.117 -13.155 1.00 71.15 H new ATOM 0 HG2 PRO B 524 24.986 58.149 -16.149 1.00 14.31 H new ATOM 0 HG3 PRO B 524 23.785 58.435 -14.906 1.00 14.31 H new ATOM 0 HD2 PRO B 524 24.971 60.489 -16.244 1.00 21.34 H new ATOM 0 HD3 PRO B 524 24.457 60.657 -14.577 1.00 21.34 H new ATOM 1389 N ASP B 525 28.737 57.252 -14.642 1.00 31.30 N ATOM 1390 CA ASP B 525 29.743 56.528 -15.410 1.00 51.41 C ATOM 1391 C ASP B 525 29.900 55.101 -14.891 1.00 61.44 C ATOM 1392 O ASP B 525 29.698 54.836 -13.707 1.00 70.22 O ATOM 1393 CB ASP B 525 31.086 57.257 -15.347 1.00 53.22 C ATOM 1394 CG ASP B 525 31.188 58.373 -16.368 1.00 74.23 C ATOM 1395 OD1 ASP B 525 31.769 58.139 -17.448 1.00 15.03 O ATOM 1396 OD2 ASP B 525 30.685 59.481 -16.087 1.00 4.21 O1- ATOM 0 H ASP B 525 28.628 56.930 -13.680 1.00 31.30 H new ATOM 0 HA ASP B 525 29.411 56.484 -16.447 1.00 51.41 H new ATOM 0 HB2 ASP B 525 31.226 57.669 -14.348 1.00 53.22 H new ATOM 0 HB3 ASP B 525 31.892 56.542 -15.513 1.00 53.22 H new ATOM 1401 N ALA B 526 30.259 54.188 -15.787 1.00 64.40 N ATOM 1402 CA ALA B 526 30.443 52.789 -15.421 1.00 74.21 C ATOM 1403 C ALA B 526 31.024 51.989 -16.582 1.00 60.43 C ATOM 1404 O ALA B 526 31.065 52.465 -17.717 1.00 3.51 O ATOM 1405 CB ALA B 526 29.123 52.184 -14.967 1.00 22.02 C ATOM 0 H ALA B 526 30.428 54.392 -16.772 1.00 64.40 H new ATOM 0 HA ALA B 526 31.152 52.746 -14.595 1.00 74.21 H new ATOM 0 HB1 ALA B 526 29.275 51.139 -14.697 1.00 22.02 H new ATOM 0 HB2 ALA B 526 28.750 52.732 -14.102 1.00 22.02 H new ATOM 0 HB3 ALA B 526 28.396 52.247 -15.777 1.00 22.02 H new ATOM 1411 N SER B 527 31.470 50.771 -16.291 1.00 22.23 N ATOM 1412 CA SER B 527 32.053 49.907 -17.310 1.00 10.42 C ATOM 1413 C SER B 527 31.001 48.965 -17.888 1.00 55.23 C ATOM 1414 O SER B 527 29.997 48.667 -17.241 1.00 74.31 O ATOM 1415 CB SER B 527 33.211 49.099 -16.723 1.00 54.03 C ATOM 1416 OG SER B 527 33.896 49.839 -15.726 1.00 33.11 O ATOM 0 H SER B 527 31.439 50.361 -15.358 1.00 22.23 H new ATOM 0 HA SER B 527 32.432 50.538 -18.114 1.00 10.42 H new ATOM 0 HB2 SER B 527 32.831 48.171 -16.295 1.00 54.03 H new ATOM 0 HB3 SER B 527 33.905 48.823 -17.517 1.00 54.03 H new ATOM 0 HG SER B 527 34.631 49.300 -15.365 1.00 33.11 H new ATOM 1422 N GLU B 528 31.241 48.498 -19.109 1.00 34.44 N ATOM 1423 CA GLU B 528 30.314 47.590 -19.775 1.00 70.03 C ATOM 1424 C GLU B 528 31.013 46.825 -20.896 1.00 45.40 C ATOM 1425 O GLU B 528 31.418 47.408 -21.901 1.00 23.21 O ATOM 1426 CB GLU B 528 29.122 48.365 -20.338 1.00 24.51 C ATOM 1427 CG GLU B 528 27.980 48.529 -19.349 1.00 63.11 C ATOM 1428 CD GLU B 528 26.682 48.937 -20.018 1.00 25.14 C ATOM 1429 OE1 GLU B 528 25.795 48.070 -20.168 1.00 15.45 O ATOM 1430 OE2 GLU B 528 26.553 50.121 -20.392 1.00 52.05 O1- ATOM 0 H GLU B 528 32.069 48.733 -19.657 1.00 34.44 H new ATOM 0 HA GLU B 528 29.955 46.872 -19.037 1.00 70.03 H new ATOM 0 HB2 GLU B 528 29.459 49.351 -20.658 1.00 24.51 H new ATOM 0 HB3 GLU B 528 28.752 47.851 -21.225 1.00 24.51 H new ATOM 0 HG2 GLU B 528 27.830 47.591 -18.815 1.00 63.11 H new ATOM 0 HG3 GLU B 528 28.253 49.279 -18.606 1.00 63.11 H new ATOM 1437 N SER B 529 31.150 45.515 -20.714 1.00 24.10 N ATOM 1438 CA SER B 529 31.803 44.670 -21.707 1.00 74.23 C ATOM 1439 C SER B 529 33.154 45.251 -22.110 1.00 3.40 C ATOM 1440 O SER B 529 33.586 45.113 -23.254 1.00 61.24 O ATOM 1441 CB SER B 529 30.913 44.516 -22.941 1.00 63.34 C ATOM 1442 OG SER B 529 31.243 43.342 -23.664 1.00 34.34 O ATOM 0 H SER B 529 30.818 45.016 -19.889 1.00 24.10 H new ATOM 0 HA SER B 529 31.967 43.689 -21.262 1.00 74.23 H new ATOM 0 HB2 SER B 529 29.867 44.478 -22.637 1.00 63.34 H new ATOM 0 HB3 SER B 529 31.026 45.388 -23.586 1.00 63.34 H new ATOM 0 HG SER B 529 32.206 43.330 -23.847 1.00 34.34 H new ATOM 1448 N VAL B 530 33.819 45.902 -21.160 1.00 34.03 N ATOM 1449 CA VAL B 530 35.123 46.505 -21.415 1.00 72.15 C ATOM 1450 C VAL B 530 36.246 45.506 -21.165 1.00 13.35 C ATOM 1451 O VAL B 530 37.284 45.547 -21.825 1.00 62.34 O ATOM 1452 CB VAL B 530 35.349 47.747 -20.532 1.00 51.23 C ATOM 1453 CG1 VAL B 530 35.444 47.351 -19.067 1.00 75.24 C ATOM 1454 CG2 VAL B 530 36.599 48.493 -20.974 1.00 2.14 C ATOM 0 H VAL B 530 33.476 46.025 -20.207 1.00 34.03 H new ATOM 0 HA VAL B 530 35.134 46.807 -22.462 1.00 72.15 H new ATOM 0 HB VAL B 530 34.495 48.414 -20.648 1.00 51.23 H new ATOM 0 HG11 VAL B 530 35.604 48.241 -18.459 1.00 75.24 H new ATOM 0 HG12 VAL B 530 34.518 46.864 -18.761 1.00 75.24 H new ATOM 0 HG13 VAL B 530 36.278 46.663 -18.929 1.00 75.24 H new ATOM 0 HG21 VAL B 530 36.744 49.368 -20.340 1.00 2.14 H new ATOM 0 HG22 VAL B 530 37.464 47.836 -20.889 1.00 2.14 H new ATOM 0 HG23 VAL B 530 36.486 48.811 -22.010 1.00 2.14 H new ATOM 1464 N ASN B 531 36.033 44.609 -20.208 1.00 50.32 N ATOM 1465 CA ASN B 531 37.029 43.599 -19.871 1.00 54.32 C ATOM 1466 C ASN B 531 37.095 42.520 -20.946 1.00 34.52 C ATOM 1467 O ASN B 531 36.184 42.386 -21.763 1.00 34.23 O ATOM 1468 CB ASN B 531 36.706 42.966 -18.516 1.00 1.55 C ATOM 1469 CG ASN B 531 36.926 43.925 -17.362 1.00 54.25 C ATOM 1470 OD1 ASN B 531 37.868 44.718 -17.371 1.00 63.14 O ATOM 1471 ND2 ASN B 531 36.056 43.857 -16.361 1.00 21.12 N ATOM 0 H ASN B 531 35.179 44.561 -19.652 1.00 50.32 H new ATOM 0 HA ASN B 531 38.001 44.089 -19.813 1.00 54.32 H new ATOM 0 HB2 ASN B 531 35.669 42.630 -18.513 1.00 1.55 H new ATOM 0 HB3 ASN B 531 37.328 42.082 -18.374 1.00 1.55 H new ATOM 0 HD21 ASN B 531 36.154 44.478 -15.557 1.00 21.12 H new ATOM 0 HD22 ASN B 531 35.290 43.184 -16.396 1.00 21.12 H new ATOM 1478 N ASN B 532 38.179 41.750 -20.940 1.00 22.22 N ATOM 1479 CA ASN B 532 38.363 40.681 -21.915 1.00 1.42 C ATOM 1480 C ASN B 532 39.414 39.684 -21.437 1.00 44.13 C ATOM 1481 O ASN B 532 40.176 39.966 -20.512 1.00 32.50 O ATOM 1482 CB ASN B 532 38.776 41.263 -23.269 1.00 52.44 C ATOM 1483 CG ASN B 532 37.583 41.609 -24.138 1.00 72.53 C ATOM 1484 OD1 ASN B 532 37.188 42.771 -24.237 1.00 72.51 O ATOM 1485 ND2 ASN B 532 37.001 40.598 -24.773 1.00 42.51 N ATOM 0 H ASN B 532 38.943 41.847 -20.271 1.00 22.22 H new ATOM 0 HA ASN B 532 37.414 40.157 -22.026 1.00 1.42 H new ATOM 0 HB2 ASN B 532 39.377 42.158 -23.108 1.00 52.44 H new ATOM 0 HB3 ASN B 532 39.407 40.545 -23.793 1.00 52.44 H new ATOM 0 HD21 ASN B 532 36.193 40.769 -25.372 1.00 42.51 H new ATOM 0 HD22 ASN B 532 37.362 39.650 -24.662 1.00 42.51 H new ATOM 1492 N ILE B 533 39.448 38.518 -22.074 1.00 4.31 N ATOM 1493 CA ILE B 533 40.405 37.480 -21.714 1.00 60.32 C ATOM 1494 C ILE B 533 40.894 36.731 -22.950 1.00 54.13 C ATOM 1495 O ILE B 533 40.193 36.653 -23.959 1.00 12.31 O ATOM 1496 CB ILE B 533 39.796 36.470 -20.724 1.00 51.21 C ATOM 1497 CG1 ILE B 533 38.555 35.812 -21.331 1.00 70.53 C ATOM 1498 CG2 ILE B 533 39.449 37.159 -19.412 1.00 41.24 C ATOM 1499 CD1 ILE B 533 37.279 36.588 -21.086 1.00 11.24 C ATOM 0 H ILE B 533 38.824 38.269 -22.841 1.00 4.31 H new ATOM 0 HA ILE B 533 41.248 37.980 -21.237 1.00 60.32 H new ATOM 0 HB ILE B 533 40.533 35.693 -20.521 1.00 51.21 H new ATOM 0 HG12 ILE B 533 38.702 35.700 -22.405 1.00 70.53 H new ATOM 0 HG13 ILE B 533 38.446 34.809 -20.917 1.00 70.53 H new ATOM 0 HG21 ILE B 533 39.019 36.433 -18.722 1.00 41.24 H new ATOM 0 HG22 ILE B 533 40.352 37.585 -18.975 1.00 41.24 H new ATOM 0 HG23 ILE B 533 38.727 37.954 -19.598 1.00 41.24 H new ATOM 0 HD11 ILE B 533 36.440 36.063 -21.544 1.00 11.24 H new ATOM 0 HD12 ILE B 533 37.108 36.678 -20.013 1.00 11.24 H new ATOM 0 HD13 ILE B 533 37.368 37.582 -21.524 1.00 11.24 H new ATOM 1511 N LEU B 534 42.100 36.180 -22.863 1.00 4.44 N ATOM 1512 CA LEU B 534 42.682 35.435 -23.973 1.00 61.11 C ATOM 1513 C LEU B 534 42.038 34.059 -24.103 1.00 32.54 C ATOM 1514 O LEU B 534 41.254 33.645 -23.248 1.00 62.31 O ATOM 1515 CB LEU B 534 44.192 35.287 -23.776 1.00 2.04 C ATOM 1516 CG LEU B 534 44.638 34.231 -22.764 1.00 60.34 C ATOM 1517 CD1 LEU B 534 44.850 32.890 -23.450 1.00 34.13 C ATOM 1518 CD2 LEU B 534 45.908 34.675 -22.053 1.00 61.30 C ATOM 0 H LEU B 534 42.693 36.235 -22.035 1.00 4.44 H new ATOM 0 HA LEU B 534 42.493 35.992 -24.891 1.00 61.11 H new ATOM 0 HB2 LEU B 534 44.642 35.050 -24.740 1.00 2.04 H new ATOM 0 HB3 LEU B 534 44.594 36.251 -23.465 1.00 2.04 H new ATOM 0 HG LEU B 534 43.851 34.115 -22.019 1.00 60.34 H new ATOM 0 HD11 LEU B 534 45.167 32.151 -22.714 1.00 34.13 H new ATOM 0 HD12 LEU B 534 43.917 32.566 -23.911 1.00 34.13 H new ATOM 0 HD13 LEU B 534 45.618 32.991 -24.217 1.00 34.13 H new ATOM 0 HD21 LEU B 534 46.210 33.911 -21.337 1.00 61.30 H new ATOM 0 HD22 LEU B 534 46.703 34.821 -22.785 1.00 61.30 H new ATOM 0 HD23 LEU B 534 45.722 35.612 -21.527 1.00 61.30 H new ATOM 1530 N LYS B 535 42.375 33.352 -25.177 1.00 14.02 N ATOM 1531 CA LYS B 535 41.833 32.021 -25.418 1.00 64.31 C ATOM 1532 C LYS B 535 42.896 31.098 -26.003 1.00 72.41 C ATOM 1533 O LYS B 535 43.332 31.282 -27.140 1.00 14.31 O ATOM 1534 CB LYS B 535 40.633 32.100 -26.366 1.00 54.24 C ATOM 1535 CG LYS B 535 39.369 32.621 -25.705 1.00 50.42 C ATOM 1536 CD LYS B 535 38.155 32.433 -26.597 1.00 13.13 C ATOM 1537 CE LYS B 535 38.200 33.358 -27.803 1.00 52.33 C ATOM 1538 NZ LYS B 535 37.371 32.843 -28.929 1.00 62.51 N1+ ATOM 0 H LYS B 535 43.022 33.680 -25.895 1.00 14.02 H new ATOM 0 HA LYS B 535 41.507 31.611 -24.462 1.00 64.31 H new ATOM 0 HB2 LYS B 535 40.886 32.746 -27.206 1.00 54.24 H new ATOM 0 HB3 LYS B 535 40.437 31.108 -26.774 1.00 54.24 H new ATOM 0 HG2 LYS B 535 39.211 32.101 -24.760 1.00 50.42 H new ATOM 0 HG3 LYS B 535 39.489 33.679 -25.471 1.00 50.42 H new ATOM 0 HD2 LYS B 535 38.106 31.397 -26.933 1.00 13.13 H new ATOM 0 HD3 LYS B 535 37.248 32.625 -26.024 1.00 13.13 H new ATOM 0 HE2 LYS B 535 37.846 34.348 -27.515 1.00 52.33 H new ATOM 0 HE3 LYS B 535 39.232 33.472 -28.135 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 37.428 33.502 -29.732 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 37.724 31.909 -29.221 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 36.381 32.758 -28.621 1.00 62.51 H new ATOM 1552 N GLN B 536 43.308 30.105 -25.222 1.00 24.12 N ATOM 1553 CA GLN B 536 44.320 29.153 -25.665 1.00 22.34 C ATOM 1554 C GLN B 536 43.697 27.792 -25.957 1.00 62.32 C ATOM 1555 O GLN B 536 43.095 27.173 -25.080 1.00 50.41 O ATOM 1556 CB GLN B 536 45.413 29.010 -24.606 1.00 51.31 C ATOM 1557 CG GLN B 536 44.875 28.831 -23.196 1.00 35.41 C ATOM 1558 CD GLN B 536 45.772 27.962 -22.335 1.00 30.51 C ATOM 1559 OE1 GLN B 536 46.925 28.304 -22.077 1.00 45.21 O ATOM 1560 NE2 GLN B 536 45.243 26.830 -21.885 1.00 61.41 N ATOM 0 H GLN B 536 42.957 29.939 -24.279 1.00 24.12 H new ATOM 0 HA GLN B 536 44.763 29.534 -26.585 1.00 22.34 H new ATOM 0 HB2 GLN B 536 46.041 28.155 -24.857 1.00 51.31 H new ATOM 0 HB3 GLN B 536 46.051 29.893 -24.633 1.00 51.31 H new ATOM 0 HG2 GLN B 536 44.764 29.809 -22.727 1.00 35.41 H new ATOM 0 HG3 GLN B 536 43.881 28.385 -23.244 1.00 35.41 H new ATOM 0 HE21 GLN B 536 44.282 26.586 -22.124 1.00 61.41 H new ATOM 0 HE22 GLN B 536 45.798 26.205 -21.300 1.00 61.41 H new ATOM 1569 N SER B 537 43.846 27.331 -27.195 1.00 14.31 N ATOM 1570 CA SER B 537 43.294 26.045 -27.604 1.00 14.23 C ATOM 1571 C SER B 537 43.943 25.562 -28.897 1.00 74.01 C ATOM 1572 O SER B 537 44.233 26.354 -29.793 1.00 11.11 O ATOM 1573 CB SER B 537 41.779 26.152 -27.789 1.00 13.52 C ATOM 1574 OG SER B 537 41.107 26.074 -26.543 1.00 64.54 O ATOM 0 H SER B 537 44.345 27.829 -27.932 1.00 14.31 H new ATOM 0 HA SER B 537 43.506 25.320 -26.818 1.00 14.23 H new ATOM 0 HB2 SER B 537 41.535 27.094 -28.279 1.00 13.52 H new ATOM 0 HB3 SER B 537 41.432 25.353 -28.444 1.00 13.52 H new ATOM 0 HG SER B 537 41.720 26.332 -25.824 1.00 64.54 H new ATOM 1580 N GLY B 538 44.169 24.255 -28.986 1.00 40.34 N ATOM 1581 CA GLY B 538 44.783 23.688 -30.173 1.00 13.30 C ATOM 1582 C GLY B 538 45.060 22.204 -30.029 1.00 44.23 C ATOM 1583 O GLY B 538 45.346 21.723 -28.933 1.00 4.52 O ATOM 0 H GLY B 538 43.938 23.579 -28.258 1.00 40.34 H new ATOM 0 HA2 GLY B 538 44.129 23.851 -31.030 1.00 13.30 H new ATOM 0 HA3 GLY B 538 45.717 24.211 -30.380 1.00 13.30 H new ATOM 1587 N ALA B 539 44.976 21.477 -31.138 1.00 15.34 N ATOM 1588 CA ALA B 539 45.221 20.040 -31.131 1.00 61.14 C ATOM 1589 C ALA B 539 45.418 19.510 -32.547 1.00 52.01 C ATOM 1590 O ALA B 539 45.130 20.201 -33.524 1.00 53.15 O ATOM 1591 CB ALA B 539 44.074 19.313 -30.447 1.00 63.32 C ATOM 0 H ALA B 539 44.740 21.860 -32.053 1.00 15.34 H new ATOM 0 HA ALA B 539 46.138 19.855 -30.572 1.00 61.14 H new ATOM 0 HB1 ALA B 539 44.270 18.241 -30.449 1.00 63.32 H new ATOM 0 HB2 ALA B 539 43.983 19.663 -29.419 1.00 63.32 H new ATOM 0 HB3 ALA B 539 43.146 19.513 -30.982 1.00 63.32 H new ATOM 1597 N TRP B 540 45.910 18.280 -32.650 1.00 64.23 N ATOM 1598 CA TRP B 540 46.146 17.659 -33.947 1.00 74.22 C ATOM 1599 C TRP B 540 45.885 16.157 -33.886 1.00 14.34 C ATOM 1600 O TRP B 540 46.461 15.451 -33.060 1.00 54.13 O ATOM 1601 CB TRP B 540 47.581 17.919 -34.409 1.00 74.04 C ATOM 1602 CG TRP B 540 48.014 19.343 -34.223 1.00 15.41 C ATOM 1603 CD1 TRP B 540 48.581 19.888 -33.107 1.00 11.20 C ATOM 1604 CD2 TRP B 540 47.914 20.401 -35.182 1.00 44.12 C ATOM 1605 NE1 TRP B 540 48.839 21.222 -33.316 1.00 30.21 N ATOM 1606 CE2 TRP B 540 48.439 21.561 -34.581 1.00 22.41 C ATOM 1607 CE3 TRP B 540 47.431 20.481 -36.493 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 48.495 22.783 -35.244 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 47.488 21.695 -37.149 1.00 24.52 C ATOM 1610 CH2 TRP B 540 48.017 22.833 -36.525 1.00 22.11 C ATOM 0 H TRP B 540 46.153 17.694 -31.851 1.00 64.23 H new ATOM 0 HA TRP B 540 45.455 18.102 -34.664 1.00 74.22 H new ATOM 0 HB2 TRP B 540 48.257 17.266 -33.858 1.00 74.04 H new ATOM 0 HB3 TRP B 540 47.670 17.654 -35.462 1.00 74.04 H new ATOM 0 HD1 TRP B 540 48.795 19.351 -32.195 1.00 11.20 H new ATOM 0 HE1 TRP B 540 49.260 21.857 -32.638 1.00 30.21 H new ATOM 0 HE3 TRP B 540 47.021 19.610 -36.983 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 48.901 23.661 -34.764 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 47.118 21.769 -38.161 1.00 24.52 H new ATOM 0 HH2 TRP B 540 48.048 23.767 -37.066 1.00 22.11 H new ATOM 1621 N SER B 541 45.011 15.677 -34.766 1.00 34.54 N ATOM 1622 CA SER B 541 44.670 14.260 -34.809 1.00 2.20 C ATOM 1623 C SER B 541 43.678 13.974 -35.932 1.00 32.22 C ATOM 1624 O SER B 541 42.934 14.857 -36.359 1.00 42.44 O ATOM 1625 CB SER B 541 44.084 13.814 -33.469 1.00 3.02 C ATOM 1626 OG SER B 541 45.028 13.066 -32.723 1.00 54.44 O ATOM 0 H SER B 541 44.527 16.249 -35.458 1.00 34.54 H new ATOM 0 HA SER B 541 45.583 13.697 -35.003 1.00 2.20 H new ATOM 0 HB2 SER B 541 43.773 14.687 -32.896 1.00 3.02 H new ATOM 0 HB3 SER B 541 43.192 13.211 -33.641 1.00 3.02 H new ATOM 0 HG SER B 541 45.834 13.606 -32.580 1.00 54.44 H new ATOM 1632 N GLY B 542 43.673 12.731 -36.407 1.00 4.53 N ATOM 1633 CA GLY B 542 42.768 12.350 -37.477 1.00 64.24 C ATOM 1634 C GLY B 542 41.442 11.833 -36.956 1.00 5.44 C ATOM 1635 O GLY B 542 40.400 12.039 -37.579 1.00 43.23 O ATOM 0 H GLY B 542 44.279 11.982 -36.070 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.591 13.210 -38.123 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.238 11.582 -38.091 1.00 64.24 H new ATOM 1639 N ASP B 543 41.480 11.156 -35.813 1.00 11.14 N ATOM 1640 CA ASP B 543 40.272 10.605 -35.210 1.00 52.52 C ATOM 1641 C ASP B 543 39.629 11.614 -34.263 1.00 13.13 C ATOM 1642 O ASP B 543 38.408 11.640 -34.103 1.00 20.02 O ATOM 1643 CB ASP B 543 40.595 9.314 -34.457 1.00 25.25 C ATOM 1644 CG ASP B 543 41.263 8.280 -35.341 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.849 8.144 -36.512 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.199 7.606 -34.863 1.00 51.20 O1- ATOM 0 H ASP B 543 42.334 10.976 -35.286 1.00 11.14 H new ATOM 0 HA ASP B 543 39.565 10.382 -36.010 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.247 9.542 -33.614 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.676 8.897 -34.046 1.00 25.25 H new ATOM 1651 N ASP B 544 40.459 12.442 -33.638 1.00 15.42 N ATOM 1652 CA ASP B 544 39.972 13.453 -32.706 1.00 51.14 C ATOM 1653 C ASP B 544 38.818 14.243 -33.316 1.00 4.23 C ATOM 1654 O ASP B 544 37.911 14.685 -32.609 1.00 2.42 O ATOM 1655 CB ASP B 544 41.104 14.402 -32.313 1.00 73.54 C ATOM 1656 CG ASP B 544 40.603 15.623 -31.566 1.00 21.23 C ATOM 1657 OD1 ASP B 544 40.138 16.574 -32.228 1.00 50.03 O ATOM 1658 OD2 ASP B 544 40.678 15.628 -30.319 1.00 63.43 O1- ATOM 0 H ASP B 544 41.472 12.433 -33.760 1.00 15.42 H new ATOM 0 HA ASP B 544 39.609 12.944 -31.813 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.822 13.868 -31.691 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.635 14.721 -33.210 1.00 73.54 H new ATOM 1663 N LYS B 545 38.858 14.418 -34.632 1.00 75.25 N ATOM 1664 CA LYS B 545 37.816 15.154 -35.338 1.00 24.24 C ATOM 1665 C LYS B 545 36.432 14.653 -34.942 1.00 33.21 C ATOM 1666 O LYS B 545 35.565 15.437 -34.551 1.00 50.14 O ATOM 1667 CB LYS B 545 38.005 15.020 -36.852 1.00 64.44 C ATOM 1668 CG LYS B 545 38.846 16.129 -37.460 1.00 54.23 C ATOM 1669 CD LYS B 545 40.218 16.208 -36.812 1.00 42.41 C ATOM 1670 CE LYS B 545 41.128 17.179 -37.549 1.00 62.41 C ATOM 1671 NZ LYS B 545 40.871 18.591 -37.151 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.601 14.060 -35.232 1.00 75.25 H new ATOM 0 HA LYS B 545 37.896 16.205 -35.059 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.474 14.060 -37.068 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.027 15.012 -37.333 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.958 15.957 -38.531 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.332 17.083 -37.343 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.113 16.523 -35.774 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.674 15.218 -36.801 1.00 42.41 H new ATOM 0 HE2 LYS B 545 42.169 16.928 -37.345 1.00 62.41 H new ATOM 0 HE3 LYS B 545 40.979 17.072 -38.623 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 41.511 19.221 -37.675 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 39.885 18.839 -37.369 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 41.037 18.700 -36.130 1.00 40.23 H new ATOM 1685 N LEU B 546 36.229 13.344 -35.044 1.00 71.42 N ATOM 1686 CA LEU B 546 34.949 12.739 -34.695 1.00 33.24 C ATOM 1687 C LEU B 546 34.930 12.314 -33.230 1.00 5.43 C ATOM 1688 O LEU B 546 33.876 12.289 -32.596 1.00 43.24 O ATOM 1689 CB LEU B 546 34.673 11.531 -35.592 1.00 40.40 C ATOM 1690 CG LEU B 546 35.735 10.430 -35.584 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.486 9.458 -34.442 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.753 9.697 -36.917 1.00 60.44 C ATOM 0 H LEU B 546 36.935 12.681 -35.366 1.00 71.42 H new ATOM 0 HA LEU B 546 34.168 13.484 -34.848 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.721 11.092 -35.293 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.553 11.884 -36.616 1.00 40.40 H new ATOM 0 HG LEU B 546 36.710 10.893 -35.434 1.00 10.12 H new ATOM 0 HD11 LEU B 546 36.251 8.682 -34.452 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.525 9.994 -33.493 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.504 9.001 -34.561 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.514 8.917 -36.893 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.777 9.246 -37.097 1.00 60.44 H new ATOM 0 HD23 LEU B 546 35.980 10.402 -37.717 1.00 60.44 H new ATOM 1704 N GLN B 547 36.102 11.980 -32.700 1.00 42.22 N ATOM 1705 CA GLN B 547 36.220 11.558 -31.310 1.00 10.14 C ATOM 1706 C GLN B 547 35.540 12.556 -30.379 1.00 64.45 C ATOM 1707 O GLN B 547 34.782 12.173 -29.488 1.00 15.25 O ATOM 1708 CB GLN B 547 37.693 11.404 -30.924 1.00 1.31 C ATOM 1709 CG GLN B 547 37.985 10.141 -30.129 1.00 14.25 C ATOM 1710 CD GLN B 547 39.343 10.175 -29.458 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.378 10.100 -30.122 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.348 10.288 -28.136 1.00 30.11 N ATOM 0 H GLN B 547 36.984 11.994 -33.213 1.00 42.22 H new ATOM 0 HA GLN B 547 35.722 10.594 -31.206 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.299 11.401 -31.830 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.999 12.271 -30.338 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.213 10.007 -29.371 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.934 9.278 -30.793 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.467 10.347 -27.626 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.233 10.316 -27.630 1.00 30.11 H new ATOM 1721 N LYS B 548 35.816 13.838 -30.590 1.00 13.42 N ATOM 1722 CA LYS B 548 35.230 14.893 -29.771 1.00 2.43 C ATOM 1723 C LYS B 548 33.717 14.729 -29.672 1.00 11.31 C ATOM 1724 O LYS B 548 33.153 14.741 -28.577 1.00 25.34 O ATOM 1725 CB LYS B 548 35.568 16.267 -30.355 1.00 44.51 C ATOM 1726 CG LYS B 548 35.246 16.395 -31.834 1.00 74.23 C ATOM 1727 CD LYS B 548 36.135 17.425 -32.510 1.00 50.13 C ATOM 1728 CE LYS B 548 35.959 18.804 -31.893 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.788 19.830 -32.585 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.443 14.172 -31.322 1.00 13.42 H new ATOM 0 HA LYS B 548 35.652 14.817 -28.769 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.019 17.031 -29.805 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.629 16.466 -30.204 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.373 15.428 -32.320 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.201 16.678 -31.957 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.178 17.118 -32.426 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.900 17.468 -33.573 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.909 19.092 -31.941 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.231 18.768 -30.838 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.641 20.756 -32.136 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.792 19.568 -32.517 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.511 19.883 -33.586 1.00 32.25 H new ATOM 1743 N TRP B 549 33.068 14.574 -30.819 1.00 35.00 N ATOM 1744 CA TRP B 549 31.619 14.405 -30.861 1.00 23.03 C ATOM 1745 C TRP B 549 31.192 13.174 -30.070 1.00 60.44 C ATOM 1746 O TRP B 549 30.455 13.280 -29.089 1.00 13.42 O ATOM 1747 CB TRP B 549 31.140 14.287 -32.308 1.00 1.00 C ATOM 1748 CG TRP B 549 31.513 15.466 -33.155 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.704 15.675 -33.791 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.691 16.599 -33.457 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.671 16.870 -34.469 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.447 17.455 -34.281 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.389 16.972 -33.113 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.944 18.661 -34.764 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.891 18.169 -33.592 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.666 19.001 -34.411 1.00 4.25 C ATOM 0 H TRP B 549 33.521 14.562 -31.733 1.00 35.00 H new ATOM 0 HA TRP B 549 31.163 15.284 -30.405 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.560 13.384 -32.750 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.056 14.171 -32.316 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.547 15.001 -33.765 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.435 17.258 -35.023 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.783 16.337 -32.484 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.541 19.304 -35.394 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.887 18.468 -33.330 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.247 19.929 -34.771 1.00 4.25 H new ATOM 1767 N VAL B 550 31.660 12.006 -30.500 1.00 65.43 N ATOM 1768 CA VAL B 550 31.326 10.756 -29.831 1.00 41.32 C ATOM 1769 C VAL B 550 31.614 10.838 -28.335 1.00 70.33 C ATOM 1770 O VAL B 550 30.733 10.602 -27.509 1.00 22.45 O ATOM 1771 CB VAL B 550 32.111 9.572 -30.428 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.702 8.268 -29.761 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.902 9.500 -31.933 1.00 22.45 C ATOM 0 H VAL B 550 32.272 11.901 -31.309 1.00 65.43 H new ATOM 0 HA VAL B 550 30.260 10.591 -29.985 1.00 41.32 H new ATOM 0 HB VAL B 550 33.173 9.730 -30.239 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.267 7.444 -30.196 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.909 8.325 -28.692 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.636 8.099 -29.916 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.463 8.658 -32.338 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.842 9.366 -32.147 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.251 10.424 -32.393 1.00 22.45 H new ATOM 1783 N ARG B 551 32.853 11.178 -27.995 1.00 22.31 N ATOM 1784 CA ARG B 551 33.257 11.292 -26.599 1.00 13.54 C ATOM 1785 C ARG B 551 32.226 12.079 -25.797 1.00 30.45 C ATOM 1786 O ARG B 551 31.887 11.713 -24.671 1.00 43.25 O ATOM 1787 CB ARG B 551 34.625 11.970 -26.496 1.00 20.34 C ATOM 1788 CG ARG B 551 35.382 11.625 -25.224 1.00 75.53 C ATOM 1789 CD ARG B 551 34.916 12.473 -24.051 1.00 51.12 C ATOM 1790 NE ARG B 551 35.898 12.497 -22.970 1.00 55.05 N ATOM 1791 CZ ARG B 551 35.765 13.235 -21.872 1.00 23.44 C ATOM 1792 NH1 ARG B 551 34.698 14.005 -21.713 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 36.701 13.203 -20.933 1.00 20.42 N ATOM 0 H ARG B 551 33.594 11.379 -28.667 1.00 22.31 H new ATOM 0 HA ARG B 551 33.325 10.287 -26.183 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.229 11.683 -27.357 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.490 13.050 -26.547 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.241 10.570 -24.990 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.450 11.776 -25.382 1.00 75.53 H new ATOM 0 HD2 ARG B 551 34.727 13.491 -24.392 1.00 51.12 H new ATOM 0 HD3 ARG B 551 33.971 12.082 -23.674 1.00 51.12 H new ATOM 0 HE ARG B 551 36.731 11.916 -23.062 1.00 55.05 H new ATOM 0 HH11 ARG B 551 33.977 14.032 -22.434 1.00 74.33 H new ATOM 0 HH12 ARG B 551 34.598 14.570 -20.870 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.524 12.612 -21.053 1.00 20.42 H new ATOM 0 HH22 ARG B 551 36.598 13.769 -20.091 1.00 20.42 H new ATOM 1807 N VAL B 552 31.729 13.164 -26.383 1.00 73.21 N ATOM 1808 CA VAL B 552 30.736 14.003 -25.725 1.00 53.54 C ATOM 1809 C VAL B 552 29.395 13.285 -25.616 1.00 31.11 C ATOM 1810 O VAL B 552 28.689 13.416 -24.616 1.00 31.43 O ATOM 1811 CB VAL B 552 30.534 15.332 -26.477 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.396 16.129 -25.859 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.823 16.141 -26.481 1.00 14.55 C ATOM 0 H VAL B 552 31.999 13.482 -27.314 1.00 73.21 H new ATOM 0 HA VAL B 552 31.115 14.215 -24.725 1.00 53.54 H new ATOM 0 HB VAL B 552 30.268 15.109 -27.510 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.269 17.064 -26.404 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.474 15.549 -25.913 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.628 16.345 -24.816 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.663 17.077 -27.016 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.121 16.356 -25.455 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.609 15.570 -26.975 1.00 14.55 H new ATOM 1823 N TYR B 553 29.052 12.527 -26.651 1.00 3.04 N ATOM 1824 CA TYR B 553 27.794 11.789 -26.673 1.00 51.43 C ATOM 1825 C TYR B 553 27.704 10.829 -25.491 1.00 23.41 C ATOM 1826 O TYR B 553 26.673 10.746 -24.820 1.00 65.22 O ATOM 1827 CB TYR B 553 27.656 11.014 -27.984 1.00 50.50 C ATOM 1828 CG TYR B 553 27.338 9.549 -27.791 1.00 4.03 C ATOM 1829 CD1 TYR B 553 26.051 9.133 -27.470 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.324 8.579 -27.929 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.756 7.795 -27.292 1.00 21.35 C ATOM 1832 CE2 TYR B 553 28.037 7.239 -27.754 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.752 6.852 -27.435 1.00 52.22 C ATOM 1834 OH TYR B 553 26.463 5.519 -27.259 1.00 2.33 O ATOM 0 H TYR B 553 29.626 12.407 -27.485 1.00 3.04 H new ATOM 0 HA TYR B 553 26.979 12.509 -26.596 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.871 11.471 -28.586 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.584 11.104 -28.549 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.268 9.868 -27.358 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.332 8.878 -28.177 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.751 7.489 -27.042 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.815 6.498 -27.866 1.00 34.42 H new ATOM 0 HH TYR B 553 27.275 4.987 -27.397 1.00 2.33 H new ATOM 1844 N LEU B 554 28.790 10.107 -25.239 1.00 55.44 N ATOM 1845 CA LEU B 554 28.837 9.153 -24.137 1.00 42.23 C ATOM 1846 C LEU B 554 29.151 9.856 -22.820 1.00 53.42 C ATOM 1847 O LEU B 554 28.767 9.390 -21.748 1.00 74.44 O ATOM 1848 CB LEU B 554 29.884 8.074 -24.415 1.00 44.44 C ATOM 1849 CG LEU B 554 31.272 8.572 -24.817 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.259 8.384 -23.676 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.756 7.852 -26.068 1.00 32.42 C ATOM 0 H LEU B 554 29.651 10.164 -25.784 1.00 55.44 H new ATOM 0 HA LEU B 554 27.856 8.685 -24.052 1.00 42.23 H new ATOM 0 HB2 LEU B 554 29.986 7.457 -23.522 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.508 7.428 -25.208 1.00 44.44 H new ATOM 0 HG LEU B 554 31.204 9.637 -25.038 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.241 8.744 -23.982 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.921 8.946 -22.806 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.324 7.326 -23.421 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.746 8.219 -26.339 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.807 6.781 -25.874 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.062 8.040 -26.887 1.00 32.42 H new ATOM 1863 N ASP B 555 29.852 10.982 -22.910 1.00 73.25 N ATOM 1864 CA ASP B 555 30.217 11.752 -21.727 1.00 31.31 C ATOM 1865 C ASP B 555 29.001 12.471 -21.151 1.00 23.23 C ATOM 1866 O ASP B 555 28.895 12.659 -19.938 1.00 34.14 O ATOM 1867 CB ASP B 555 31.310 12.766 -22.068 1.00 72.13 C ATOM 1868 CG ASP B 555 31.741 13.580 -20.864 1.00 53.31 C ATOM 1869 OD1 ASP B 555 31.849 13.001 -19.763 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.970 14.797 -21.023 1.00 21.01 O1- ATOM 0 H ASP B 555 30.178 11.381 -23.790 1.00 73.25 H new ATOM 0 HA ASP B 555 30.597 11.059 -20.976 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.174 12.241 -22.476 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.948 13.438 -22.846 1.00 72.13 H new ATOM 1875 N ARG B 556 28.086 12.872 -22.028 1.00 10.54 N ATOM 1876 CA ARG B 556 26.880 13.573 -21.607 1.00 54.44 C ATOM 1877 C ARG B 556 25.765 12.584 -21.275 1.00 72.41 C ATOM 1878 O ARG B 556 24.941 12.834 -20.395 1.00 3.24 O ATOM 1879 CB ARG B 556 26.414 14.533 -22.702 1.00 35.13 C ATOM 1880 CG ARG B 556 26.013 13.837 -23.993 1.00 22.30 C ATOM 1881 CD ARG B 556 24.514 13.592 -24.052 1.00 71.10 C ATOM 1882 NE ARG B 556 24.181 12.427 -24.868 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.009 12.262 -25.470 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.062 13.182 -25.348 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.782 11.174 -26.196 1.00 21.52 N ATOM 0 H ARG B 556 28.158 12.723 -23.035 1.00 10.54 H new ATOM 0 HA ARG B 556 27.116 14.144 -20.709 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.566 15.109 -22.331 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.213 15.243 -22.915 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.317 14.445 -24.845 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.541 12.887 -24.075 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.130 13.449 -23.042 1.00 71.10 H new ATOM 0 HD3 ARG B 556 24.018 14.473 -24.459 1.00 71.10 H new ATOM 0 HE ARG B 556 24.888 11.700 -24.982 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.233 14.019 -24.791 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.163 13.053 -25.812 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.508 10.464 -26.292 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.881 11.048 -26.658 1.00 21.52 H new ATOM 1899 N GLY B 557 25.746 11.460 -21.985 1.00 54.40 N ATOM 1900 CA GLY B 557 24.729 10.452 -21.751 1.00 51.20 C ATOM 1901 C GLY B 557 24.770 9.903 -20.339 1.00 73.35 C ATOM 1902 O GLY B 557 23.949 10.273 -19.500 1.00 64.24 O ATOM 0 H GLY B 557 26.417 11.230 -22.718 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.746 10.882 -21.942 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.863 9.634 -22.459 1.00 51.20 H new ATOM 1906 N GLN B 558 25.726 9.019 -20.077 1.00 30.44 N ATOM 1907 CA GLN B 558 25.868 8.417 -18.756 1.00 71.33 C ATOM 1908 C GLN B 558 27.303 8.538 -18.255 1.00 54.22 C ATOM 1909 O GLN B 558 27.600 9.355 -17.386 1.00 65.12 O ATOM 1910 CB GLN B 558 25.451 6.946 -18.795 1.00 32.20 C ATOM 1911 CG GLN B 558 25.566 6.317 -20.175 1.00 10.50 C ATOM 1912 CD GLN B 558 25.747 4.814 -20.117 1.00 44.43 C ATOM 1913 OE1 GLN B 558 26.639 4.259 -20.760 1.00 32.15 O ATOM 1914 NE2 GLN B 558 24.900 4.144 -19.345 1.00 2.10 N ATOM 0 H GLN B 558 26.414 8.703 -20.761 1.00 30.44 H new ATOM 0 HA GLN B 558 25.215 8.954 -18.067 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.069 6.383 -18.096 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.421 6.860 -18.450 1.00 32.20 H new ATOM 0 HG2 GLN B 558 24.671 6.549 -20.752 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.410 6.761 -20.703 1.00 10.50 H new ATOM 0 HE21 GLN B 558 24.176 4.644 -18.829 1.00 2.10 H new ATOM 0 HE22 GLN B 558 24.974 3.130 -19.267 1.00 2.10 H new ATOM 1923 N GLU B 559 28.189 7.716 -18.809 1.00 54.14 N ATOM 1924 CA GLU B 559 29.594 7.731 -18.417 1.00 64.14 C ATOM 1925 C GLU B 559 30.494 7.390 -19.601 1.00 45.44 C ATOM 1926 O GLU B 559 30.024 7.242 -20.729 1.00 54.24 O ATOM 1927 CB GLU B 559 29.837 6.742 -17.275 1.00 42.30 C ATOM 1928 CG GLU B 559 29.404 5.322 -17.598 1.00 15.30 C ATOM 1929 CD GLU B 559 28.885 4.580 -16.382 1.00 15.40 C ATOM 1930 OE1 GLU B 559 29.209 4.995 -15.251 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.156 3.582 -16.563 1.00 61.43 O1- ATOM 0 H GLU B 559 27.959 7.032 -19.530 1.00 54.14 H new ATOM 0 HA GLU B 559 29.839 8.737 -18.076 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.898 6.742 -17.025 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.301 7.084 -16.389 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.627 5.348 -18.362 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.248 4.776 -18.020 1.00 15.30 H new ATOM 1938 N ALA B 560 31.790 7.269 -19.336 1.00 3.04 N ATOM 1939 CA ALA B 560 32.756 6.944 -20.379 1.00 50.04 C ATOM 1940 C ALA B 560 32.605 5.498 -20.836 1.00 31.25 C ATOM 1941 O ALA B 560 32.066 4.661 -20.110 1.00 10.24 O ATOM 1942 CB ALA B 560 34.173 7.198 -19.883 1.00 41.05 C ATOM 0 H ALA B 560 32.196 7.391 -18.408 1.00 3.04 H new ATOM 0 HA ALA B 560 32.561 7.590 -21.235 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.884 6.951 -20.671 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.281 8.248 -19.613 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.370 6.576 -19.009 1.00 41.05 H new ATOM 1948 N ILE B 561 33.083 5.210 -22.042 1.00 73.03 N ATOM 1949 CA ILE B 561 33.000 3.864 -22.595 1.00 2.23 C ATOM 1950 C ILE B 561 34.132 3.605 -23.583 1.00 30.44 C ATOM 1951 O ILE B 561 34.393 4.417 -24.473 1.00 42.35 O ATOM 1952 CB ILE B 561 31.653 3.628 -23.302 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.340 4.786 -24.252 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.540 3.459 -22.278 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.150 4.526 -25.150 1.00 63.22 C ATOM 0 H ILE B 561 33.532 5.891 -22.655 1.00 73.03 H new ATOM 0 HA ILE B 561 33.087 3.173 -21.757 1.00 2.23 H new ATOM 0 HB ILE B 561 31.723 2.712 -23.888 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.153 5.686 -23.666 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.215 4.985 -24.871 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.594 3.293 -22.793 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.760 2.604 -21.639 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.468 4.359 -21.667 1.00 51.43 H new ATOM 0 HD11 ILE B 561 29.986 5.388 -25.796 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.342 3.645 -25.762 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.263 4.357 -24.539 1.00 63.22 H new ATOM 1967 N LYS B 562 34.802 2.469 -23.423 1.00 34.53 N ATOM 1968 CA LYS B 562 35.906 2.100 -24.302 1.00 5.33 C ATOM 1969 C LYS B 562 35.417 1.218 -25.447 1.00 3.44 C ATOM 1970 O LYS B 562 35.341 1.659 -26.595 1.00 74.43 O ATOM 1971 CB LYS B 562 36.993 1.371 -23.511 1.00 55.54 C ATOM 1972 CG LYS B 562 36.590 -0.024 -23.065 1.00 23.25 C ATOM 1973 CD LYS B 562 37.754 -0.763 -22.426 1.00 61.12 C ATOM 1974 CE LYS B 562 38.240 -0.056 -21.169 1.00 62.12 C ATOM 1975 NZ LYS B 562 39.215 -0.885 -20.409 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.600 1.787 -22.692 1.00 34.53 H new ATOM 0 HA LYS B 562 36.324 3.014 -24.723 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.892 1.302 -24.124 1.00 55.54 H new ATOM 0 HB3 LYS B 562 37.251 1.964 -22.633 1.00 55.54 H new ATOM 0 HG2 LYS B 562 35.767 0.044 -22.354 1.00 23.25 H new ATOM 0 HG3 LYS B 562 36.225 -0.590 -23.922 1.00 23.25 H new ATOM 0 HD2 LYS B 562 37.449 -1.780 -22.178 1.00 61.12 H new ATOM 0 HD3 LYS B 562 38.573 -0.841 -23.141 1.00 61.12 H new ATOM 0 HE2 LYS B 562 38.704 0.892 -21.442 1.00 62.12 H new ATOM 0 HE3 LYS B 562 37.388 0.178 -20.531 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 38.868 -1.027 -19.439 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 39.324 -1.808 -20.876 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 40.135 -0.400 -20.380 1.00 35.51 H new TER 1989 LYS B 562