USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1214 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: B 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 67 SER OG : rot -140:sc= -0.326 USER MOD Set 2.1: B 15 THR OG1 : rot -59:sc= 1.26 USER MOD Set 2.2: B 29 ASN : amide:sc= -7.75! C(o=-6.5!,f=-11!) USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 67 SER OG : rot -133:sc= -0.398 USER MOD Set 4.1: A 15 THR OG1 : rot -59:sc= 1.19 USER MOD Set 4.2: A 29 ASN : amide:sc= -7.8! C(o=-6.6!,f=-11!) USER MOD Single : A 1 MET CE :methyl -129:sc= -0.619 (180deg=-2.17!) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0175) USER MOD Single : A 3 LYS NZ :NH3+ -145:sc= -0.142 (180deg=-1.14) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -36:sc= 0.978 USER MOD Single : A 10 GLN : amide:sc= -4.25! C(o=-4.3!,f=-9.2!) USER MOD Single : A 12 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -9.35! C(o=-9.4!,f=-19!) USER MOD Single : A 33 CYS SG : rot 33:sc= -4.27! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.58! C(o=-3.6!,f=-9.1!) USER MOD Single : A 41 HIS : no HE2:sc= -5.02! C(o=-5!,f=-6.8!) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -0.199 (180deg=-1.17!) USER MOD Single : A 48 THR OG1 : rot -60:sc= -0.57 USER MOD Single : A 53 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 61 TYR OH : rot 25:sc= 0.678 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 64 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-4.5!) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0.0346 (180deg=0.0257) USER MOD Single : A 72 GLN : amide:sc= -0.846 X(o=-0.85,f=-0.49) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -128:sc= -0.61 (180deg=-2.18!) USER MOD Single : B 1 MET N :NH3+ 177:sc= 0 (180deg=-0.00734) USER MOD Single : B 3 LYS NZ :NH3+ -146:sc= -0.128 (180deg=-1.11) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot -31:sc= 0.978 USER MOD Single : B 10 GLN : amide:sc= -4.17! C(o=-4.2!,f=-9.1!) USER MOD Single : B 12 GLN : amide:sc= -0.083 K(o=-0.083,f=-1.1!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -9.56! C(o=-9.6!,f=-18!) USER MOD Single : B 33 CYS SG : rot 33:sc= -4.24! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -3.57! C(o=-3.6!,f=-9.2!) USER MOD Single : B 41 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-6.9!) USER MOD Single : B 46 LYS NZ :NH3+ 142:sc= -0.195 (180deg=-1.24!) USER MOD Single : B 48 THR OG1 : rot 80:sc= -0.595 USER MOD Single : B 53 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.0961 USER MOD Single : B 61 TYR OH : rot 26:sc= 0.611 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.391 USER MOD Single : B 64 HIS : no HD1:sc= -0.575 K(o=-0.58,f=-4.3!) USER MOD Single : B 69 LYS NZ :NH3+ -171:sc= 0.0353 (180deg=0.0259) USER MOD Single : B 72 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.44) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.854 17.336 2.798 1.00 42.32 N ATOM 2 CA MET A 1 -1.465 17.126 3.294 1.00 40.89 C ATOM 3 C MET A 1 -1.475 16.086 4.413 1.00 34.75 C ATOM 4 O MET A 1 -2.046 16.298 5.464 1.00 33.97 O ATOM 5 CB MET A 1 -0.909 18.446 3.836 1.00 48.45 C ATOM 6 CG MET A 1 0.358 18.183 4.661 1.00 56.13 C ATOM 7 SD MET A 1 1.320 19.711 4.776 1.00 64.91 S ATOM 8 CE MET A 1 0.192 20.606 5.872 1.00 63.43 C ATOM 0 H1 MET A 1 -2.857 18.092 2.084 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.207 16.456 2.372 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.469 17.607 3.592 1.00 42.32 H new ATOM 0 HA MET A 1 -0.838 16.775 2.474 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.682 19.121 3.011 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.659 18.940 4.454 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.091 17.831 5.658 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.954 17.398 4.195 1.00 56.13 H new ATOM 0 HE1 MET A 1 -0.024 21.587 5.449 1.00 63.43 H new ATOM 0 HE2 MET A 1 -0.736 20.044 5.977 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.656 20.727 6.851 1.00 63.43 H new ATOM 20 N ILE A 2 -0.833 14.972 4.206 1.00 28.59 N ATOM 21 CA ILE A 2 -0.796 13.939 5.274 1.00 24.58 C ATOM 22 C ILE A 2 -0.020 14.522 6.453 1.00 19.29 C ATOM 23 O ILE A 2 1.164 14.299 6.609 1.00 19.53 O ATOM 24 CB ILE A 2 -0.098 12.683 4.756 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.606 12.350 3.355 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.403 11.510 5.683 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.574 11.933 2.489 1.00 33.80 C ATOM 0 H ILE A 2 -0.335 14.733 3.348 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.806 13.666 5.581 1.00 24.58 H new ATOM 0 HB ILE A 2 0.977 12.862 4.724 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.342 11.547 3.402 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.106 13.215 2.920 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.095 10.614 5.312 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.043 11.736 6.687 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.479 11.340 5.713 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.222 11.693 1.486 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.293 12.751 2.435 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.053 11.056 2.925 1.00 33.80 H new ATOM 39 N LYS A 3 -0.678 15.306 7.258 1.00 18.14 N ATOM 40 CA LYS A 3 0.008 15.959 8.407 1.00 16.66 C ATOM 41 C LYS A 3 0.448 14.935 9.450 1.00 14.94 C ATOM 42 O LYS A 3 -0.107 13.861 9.571 1.00 13.94 O ATOM 43 CB LYS A 3 -0.943 16.965 9.057 1.00 16.94 C ATOM 44 CG LYS A 3 -0.485 18.387 8.727 1.00 17.85 C ATOM 45 CD LYS A 3 -1.148 19.372 9.692 1.00 19.63 C ATOM 46 CE LYS A 3 -0.297 19.499 10.957 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.867 18.635 12.029 1.00 32.72 N ATOM 0 H LYS A 3 -1.670 15.525 7.169 1.00 18.14 H new ATOM 0 HA LYS A 3 0.897 16.465 8.030 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.959 16.806 8.697 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.961 16.819 10.137 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.600 18.459 8.805 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.747 18.636 7.699 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.258 20.346 9.215 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.150 19.028 9.948 1.00 19.63 H new ATOM 0 HE2 LYS A 3 0.731 19.205 10.747 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.271 20.537 11.288 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.739 19.097 12.952 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.881 18.488 11.853 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.379 17.717 12.031 1.00 32.72 H new ATOM 61 N VAL A 4 1.449 15.285 10.210 1.00 12.42 N ATOM 62 CA VAL A 4 1.960 14.379 11.269 1.00 12.99 C ATOM 63 C VAL A 4 2.819 15.207 12.232 1.00 14.26 C ATOM 64 O VAL A 4 3.129 16.350 11.970 1.00 13.80 O ATOM 65 CB VAL A 4 2.776 13.230 10.630 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.361 13.672 9.289 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.915 12.792 11.563 1.00 10.41 C ATOM 0 H VAL A 4 1.940 16.176 10.138 1.00 12.42 H new ATOM 0 HA VAL A 4 1.136 13.927 11.821 1.00 12.99 H new ATOM 0 HB VAL A 4 2.103 12.388 10.469 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.932 12.852 8.853 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.552 13.951 8.613 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.017 14.529 9.443 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.477 11.983 11.096 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.579 13.636 11.748 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.498 12.445 12.508 1.00 10.41 H new ATOM 77 N GLU A 5 3.182 14.651 13.354 1.00 9.27 N ATOM 78 CA GLU A 5 3.993 15.415 14.336 1.00 10.51 C ATOM 79 C GLU A 5 4.947 14.459 15.056 1.00 10.00 C ATOM 80 O GLU A 5 4.545 13.673 15.888 1.00 10.96 O ATOM 81 CB GLU A 5 3.033 16.083 15.334 1.00 10.42 C ATOM 82 CG GLU A 5 3.698 16.220 16.701 1.00 18.68 C ATOM 83 CD GLU A 5 3.219 17.503 17.383 1.00 18.63 C ATOM 84 OE1 GLU A 5 2.163 17.467 17.993 1.00 22.12 O ATOM 85 OE2 GLU A 5 3.915 18.500 17.282 1.00 19.38 O ATOM 0 H GLU A 5 2.950 13.697 13.632 1.00 9.27 H new ATOM 0 HA GLU A 5 4.588 16.181 13.838 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.740 17.066 14.965 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.122 15.492 15.423 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.458 15.356 17.321 1.00 18.68 H new ATOM 0 HG3 GLU A 5 4.782 16.240 16.588 1.00 18.68 H new ATOM 92 N ILE A 6 6.213 14.525 14.758 1.00 9.86 N ATOM 93 CA ILE A 6 7.169 13.622 15.459 1.00 10.60 C ATOM 94 C ILE A 6 7.198 14.032 16.942 1.00 10.16 C ATOM 95 O ILE A 6 7.784 15.032 17.307 1.00 11.64 O ATOM 96 CB ILE A 6 8.569 13.726 14.804 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.767 12.538 13.857 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.673 13.697 15.861 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.527 12.980 12.412 1.00 13.81 C ATOM 0 H ILE A 6 6.624 15.155 14.070 1.00 9.86 H new ATOM 0 HA ILE A 6 6.857 12.580 15.381 1.00 10.60 H new ATOM 0 HB ILE A 6 8.626 14.669 14.261 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.777 12.142 13.963 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.080 11.734 14.120 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.645 13.771 15.374 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.544 14.536 16.545 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.618 12.763 16.419 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.669 12.131 11.743 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.509 13.355 12.311 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.232 13.769 12.151 1.00 13.81 H new ATOM 111 N LYS A 7 6.556 13.271 17.797 1.00 11.63 N ATOM 112 CA LYS A 7 6.531 13.617 19.243 1.00 11.59 C ATOM 113 C LYS A 7 7.928 14.044 19.689 1.00 12.98 C ATOM 114 O LYS A 7 8.902 13.754 19.023 1.00 9.79 O ATOM 115 CB LYS A 7 6.090 12.380 20.031 1.00 12.52 C ATOM 116 CG LYS A 7 4.667 12.002 19.631 1.00 14.26 C ATOM 117 CD LYS A 7 3.691 13.072 20.125 1.00 15.70 C ATOM 118 CE LYS A 7 3.104 12.647 21.473 1.00 19.19 C ATOM 119 NZ LYS A 7 2.894 13.851 22.326 1.00 25.43 N ATOM 0 H LYS A 7 6.048 12.422 17.548 1.00 11.63 H new ATOM 0 HA LYS A 7 5.837 14.438 19.422 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.767 11.549 19.833 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.137 12.582 21.101 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.597 11.905 18.548 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.405 11.033 20.056 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.204 14.028 20.226 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.892 13.214 19.397 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.159 12.126 21.322 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.777 11.949 21.971 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 2.495 13.562 23.242 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 3.804 14.330 22.480 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 2.236 14.502 21.852 1.00 25.43 H new ATOM 133 N PRO A 8 7.990 14.710 20.814 1.00 13.56 N ATOM 134 CA PRO A 8 9.267 15.169 21.376 1.00 11.93 C ATOM 135 C PRO A 8 10.034 13.968 21.923 1.00 10.20 C ATOM 136 O PRO A 8 11.209 14.045 22.220 1.00 12.05 O ATOM 137 CB PRO A 8 8.852 16.146 22.481 1.00 12.78 C ATOM 138 CG PRO A 8 7.395 15.786 22.852 1.00 12.51 C ATOM 139 CD PRO A 8 6.806 15.051 21.632 1.00 13.61 C ATOM 0 HA PRO A 8 9.928 15.648 20.654 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.508 16.055 23.347 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.922 17.177 22.135 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.365 15.153 23.739 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.819 16.683 23.081 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.257 14.158 21.931 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.110 15.684 21.082 1.00 13.61 H new ATOM 147 N SER A 9 9.374 12.847 22.029 1.00 10.65 N ATOM 148 CA SER A 9 10.054 11.621 22.523 1.00 10.83 C ATOM 149 C SER A 9 10.378 10.721 21.325 1.00 10.94 C ATOM 150 O SER A 9 10.811 9.596 21.479 1.00 13.16 O ATOM 151 CB SER A 9 9.131 10.876 23.489 1.00 13.01 C ATOM 152 OG SER A 9 9.774 9.686 23.929 1.00 15.52 O ATOM 0 H SER A 9 8.389 12.729 21.793 1.00 10.65 H new ATOM 0 HA SER A 9 10.972 11.891 23.044 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.890 11.510 24.342 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.189 10.634 22.997 1.00 13.01 H new ATOM 0 HG SER A 9 10.303 9.309 23.195 1.00 15.52 H new ATOM 158 N GLN A 10 10.170 11.212 20.128 1.00 10.02 N ATOM 159 CA GLN A 10 10.461 10.394 18.919 1.00 11.55 C ATOM 160 C GLN A 10 11.384 11.182 17.987 1.00 13.72 C ATOM 161 O GLN A 10 11.249 11.134 16.782 1.00 17.31 O ATOM 162 CB GLN A 10 9.158 10.085 18.184 1.00 6.60 C ATOM 163 CG GLN A 10 8.079 9.713 19.197 1.00 7.20 C ATOM 164 CD GLN A 10 8.253 8.253 19.620 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.355 7.743 19.642 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.204 7.556 19.960 1.00 4.80 N ATOM 0 H GLN A 10 9.810 12.148 19.940 1.00 10.02 H new ATOM 0 HA GLN A 10 10.942 9.463 19.219 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.842 10.951 17.602 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.310 9.266 17.481 1.00 6.60 H new ATOM 0 HG2 GLN A 10 8.144 10.365 20.068 1.00 7.20 H new ATOM 0 HG3 GLN A 10 7.091 9.861 18.761 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.279 7.985 19.941 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.309 6.582 20.245 1.00 4.80 H new ATOM 175 N ALA A 11 12.311 11.921 18.533 1.00 15.28 N ATOM 176 CA ALA A 11 13.226 12.722 17.668 1.00 18.95 C ATOM 177 C ALA A 11 14.555 11.986 17.482 1.00 20.75 C ATOM 178 O ALA A 11 15.538 12.564 17.063 1.00 24.78 O ATOM 179 CB ALA A 11 13.485 14.079 18.322 1.00 17.72 C ATOM 0 H ALA A 11 12.475 12.005 19.536 1.00 15.28 H new ATOM 0 HA ALA A 11 12.759 12.865 16.694 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.153 14.665 17.691 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.541 14.611 18.443 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.946 13.930 19.299 1.00 17.72 H new ATOM 185 N GLN A 12 14.597 10.720 17.786 1.00 22.50 N ATOM 186 CA GLN A 12 15.862 9.959 17.623 1.00 25.43 C ATOM 187 C GLN A 12 15.543 8.599 16.985 1.00 22.80 C ATOM 188 O GLN A 12 14.527 7.996 17.267 1.00 20.93 O ATOM 189 CB GLN A 12 16.509 9.778 19.009 1.00 30.18 C ATOM 190 CG GLN A 12 17.163 8.399 19.121 1.00 42.11 C ATOM 191 CD GLN A 12 18.229 8.420 20.219 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.968 9.376 20.346 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.341 7.397 21.023 1.00 47.90 N ATOM 0 H GLN A 12 13.808 10.180 18.141 1.00 22.50 H new ATOM 0 HA GLN A 12 16.558 10.493 16.976 1.00 25.43 H new ATOM 0 HB2 GLN A 12 17.256 10.555 19.172 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.754 9.893 19.787 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.409 7.646 19.348 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.614 8.122 18.168 1.00 42.11 H new ATOM 0 HE21 GLN A 12 17.721 6.594 20.917 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.049 7.401 21.757 1.00 47.90 H new ATOM 202 N PHE A 13 16.405 8.109 16.134 1.00 21.61 N ATOM 203 CA PHE A 13 16.148 6.794 15.495 1.00 20.51 C ATOM 204 C PHE A 13 16.838 5.700 16.307 1.00 18.83 C ATOM 205 O PHE A 13 17.721 5.965 17.099 1.00 18.83 O ATOM 206 CB PHE A 13 16.721 6.804 14.083 1.00 19.56 C ATOM 207 CG PHE A 13 18.181 7.175 14.165 1.00 19.62 C ATOM 208 CD1 PHE A 13 19.130 6.207 14.509 1.00 15.55 C ATOM 209 CD2 PHE A 13 18.584 8.492 13.911 1.00 20.50 C ATOM 210 CE1 PHE A 13 20.482 6.555 14.597 1.00 14.07 C ATOM 211 CE2 PHE A 13 19.934 8.839 13.997 1.00 20.75 C ATOM 212 CZ PHE A 13 20.882 7.872 14.341 1.00 18.48 C ATOM 0 H PHE A 13 17.274 8.565 15.857 1.00 21.61 H new ATOM 0 HA PHE A 13 15.075 6.605 15.457 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.604 5.825 13.619 1.00 19.56 H new ATOM 0 HB3 PHE A 13 16.182 7.518 13.460 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.819 5.192 14.707 1.00 15.55 H new ATOM 0 HD2 PHE A 13 17.850 9.240 13.648 1.00 20.50 H new ATOM 0 HE1 PHE A 13 21.216 5.809 14.862 1.00 14.07 H new ATOM 0 HE2 PHE A 13 20.245 9.854 13.798 1.00 20.75 H new ATOM 0 HZ PHE A 13 21.926 8.141 14.410 1.00 18.48 H new ATOM 222 N THR A 14 16.451 4.473 16.113 1.00 14.89 N ATOM 223 CA THR A 14 17.094 3.367 16.869 1.00 13.37 C ATOM 224 C THR A 14 17.208 2.138 15.971 1.00 11.97 C ATOM 225 O THR A 14 16.370 1.894 15.125 1.00 10.76 O ATOM 226 CB THR A 14 16.247 3.020 18.093 1.00 13.68 C ATOM 227 OG1 THR A 14 16.091 4.176 18.904 1.00 13.48 O ATOM 228 CG2 THR A 14 16.939 1.918 18.895 1.00 9.24 C ATOM 0 H THR A 14 15.718 4.188 15.464 1.00 14.89 H new ATOM 0 HA THR A 14 18.087 3.680 17.191 1.00 13.37 H new ATOM 0 HB THR A 14 15.266 2.670 17.771 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.547 3.954 19.688 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.336 1.670 19.768 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.055 1.032 18.271 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.920 2.265 19.219 1.00 9.24 H new ATOM 236 N THR A 15 18.236 1.360 16.150 1.00 13.20 N ATOM 237 CA THR A 15 18.402 0.144 15.311 1.00 12.54 C ATOM 238 C THR A 15 17.735 -1.040 16.010 1.00 14.34 C ATOM 239 O THR A 15 18.191 -1.505 17.036 1.00 17.35 O ATOM 240 CB THR A 15 19.890 -0.146 15.122 1.00 11.88 C ATOM 241 OG1 THR A 15 20.629 1.058 15.271 1.00 17.15 O ATOM 242 CG2 THR A 15 20.121 -0.720 13.725 1.00 8.30 C ATOM 0 H THR A 15 18.969 1.514 16.842 1.00 13.20 H new ATOM 0 HA THR A 15 17.940 0.303 14.337 1.00 12.54 H new ATOM 0 HB THR A 15 20.220 -0.867 15.870 1.00 11.88 H new ATOM 0 HG1 THR A 15 20.319 1.715 14.614 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.182 -0.928 13.588 1.00 8.30 H new ATOM 0 HG22 THR A 15 19.553 -1.643 13.613 1.00 8.30 H new ATOM 0 HG23 THR A 15 19.793 0.001 12.976 1.00 8.30 H new ATOM 435 N LEU A 28 17.747 -1.491 10.486 1.00 18.57 N ATOM 436 CA LEU A 28 18.369 -0.150 10.289 1.00 16.31 C ATOM 437 C LEU A 28 17.742 0.873 11.242 1.00 14.21 C ATOM 438 O LEU A 28 16.673 0.667 11.780 1.00 16.97 O ATOM 439 CB LEU A 28 18.148 0.298 8.844 1.00 16.48 C ATOM 440 CG LEU A 28 19.500 0.497 8.158 1.00 22.19 C ATOM 441 CD1 LEU A 28 19.464 -0.135 6.765 1.00 24.00 C ATOM 442 CD2 LEU A 28 19.792 1.995 8.034 1.00 22.01 C ATOM 0 HA LEU A 28 19.436 -0.218 10.499 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.562 -0.448 8.307 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.578 1.227 8.823 1.00 16.48 H new ATOM 0 HG LEU A 28 20.282 0.022 8.750 1.00 22.19 H new ATOM 0 HD11 LEU A 28 20.428 0.007 6.276 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.256 -1.201 6.854 1.00 24.00 H new ATOM 0 HD13 LEU A 28 18.682 0.338 6.171 1.00 24.00 H new ATOM 0 HD21 LEU A 28 20.756 2.139 7.545 1.00 22.01 H new ATOM 0 HD22 LEU A 28 19.010 2.470 7.442 1.00 22.01 H new ATOM 0 HD23 LEU A 28 19.818 2.444 9.027 1.00 22.01 H new ATOM 454 N ASN A 29 18.409 1.978 11.448 1.00 11.64 N ATOM 455 CA ASN A 29 17.872 3.030 12.359 1.00 9.77 C ATOM 456 C ASN A 29 16.421 3.352 11.987 1.00 7.94 C ATOM 457 O ASN A 29 16.142 3.850 10.914 1.00 10.52 O ATOM 458 CB ASN A 29 18.716 4.295 12.213 1.00 14.73 C ATOM 459 CG ASN A 29 20.064 4.100 12.907 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.214 3.225 13.736 1.00 23.31 O ATOM 461 ND2 ASN A 29 21.059 4.886 12.598 1.00 12.89 N ATOM 0 H ASN A 29 19.309 2.198 11.021 1.00 11.64 H new ATOM 0 HA ASN A 29 17.909 2.669 13.387 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.869 4.521 11.158 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.192 5.146 12.649 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.964 4.766 13.053 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.932 5.620 11.902 1.00 12.89 H new ATOM 468 N GLU A 30 15.497 3.082 12.867 1.00 8.58 N ATOM 469 CA GLU A 30 14.066 3.383 12.567 1.00 13.16 C ATOM 470 C GLU A 30 13.566 4.454 13.542 1.00 12.26 C ATOM 471 O GLU A 30 14.030 4.547 14.661 1.00 10.58 O ATOM 472 CB GLU A 30 13.231 2.112 12.736 1.00 14.93 C ATOM 473 CG GLU A 30 13.356 1.246 11.482 1.00 27.13 C ATOM 474 CD GLU A 30 12.523 -0.026 11.654 1.00 33.28 C ATOM 475 OE1 GLU A 30 12.342 -0.443 12.787 1.00 38.01 O ATOM 476 OE2 GLU A 30 12.080 -0.561 10.651 1.00 40.03 O ATOM 0 H GLU A 30 15.670 2.666 13.782 1.00 8.58 H new ATOM 0 HA GLU A 30 13.972 3.743 11.543 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.570 1.556 13.610 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.186 2.371 12.909 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.015 1.801 10.608 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.401 0.988 11.308 1.00 27.13 H new ATOM 483 N GLN A 31 12.626 5.264 13.133 1.00 10.34 N ATOM 484 CA GLN A 31 12.112 6.322 14.052 1.00 9.46 C ATOM 485 C GLN A 31 10.591 6.212 14.172 1.00 10.09 C ATOM 486 O GLN A 31 9.985 5.269 13.703 1.00 9.36 O ATOM 487 CB GLN A 31 12.476 7.707 13.504 1.00 7.25 C ATOM 488 CG GLN A 31 12.933 8.615 14.649 1.00 10.62 C ATOM 489 CD GLN A 31 12.026 9.845 14.712 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.820 9.721 14.781 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.559 11.037 14.691 1.00 12.39 N ATOM 0 H GLN A 31 12.194 5.240 12.209 1.00 10.34 H new ATOM 0 HA GLN A 31 12.565 6.187 15.034 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.268 7.617 12.761 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.615 8.147 13.001 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.897 8.074 15.594 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.968 8.920 14.496 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.572 11.142 14.633 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.962 11.863 14.733 1.00 12.39 H new ATOM 500 N LEU A 32 9.974 7.172 14.804 1.00 6.80 N ATOM 501 CA LEU A 32 8.494 7.136 14.967 1.00 10.34 C ATOM 502 C LEU A 32 7.897 8.463 14.488 1.00 9.02 C ATOM 503 O LEU A 32 8.610 9.370 14.106 1.00 11.15 O ATOM 504 CB LEU A 32 8.161 6.926 16.444 1.00 10.20 C ATOM 505 CG LEU A 32 8.323 5.449 16.799 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.082 5.254 18.298 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.309 4.620 16.005 1.00 15.89 C ATOM 0 H LEU A 32 10.434 7.984 15.216 1.00 6.80 H new ATOM 0 HA LEU A 32 8.076 6.320 14.377 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.818 7.534 17.066 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.140 7.250 16.647 1.00 10.20 H new ATOM 0 HG LEU A 32 9.333 5.124 16.550 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.198 4.200 18.551 1.00 17.42 H new ATOM 0 HD12 LEU A 32 8.804 5.844 18.862 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.072 5.579 18.549 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.424 3.566 16.257 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.299 4.945 16.254 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.482 4.758 14.938 1.00 15.89 H new ATOM 519 N CYS A 33 6.596 8.586 14.502 1.00 9.68 N ATOM 520 CA CYS A 33 5.963 9.852 14.047 1.00 8.10 C ATOM 521 C CYS A 33 4.472 9.791 14.373 1.00 6.34 C ATOM 522 O CYS A 33 3.910 8.727 14.534 1.00 8.02 O ATOM 523 CB CYS A 33 6.143 10.040 12.532 1.00 8.88 C ATOM 524 SG CYS A 33 6.729 8.510 11.750 1.00 13.84 S ATOM 0 H CYS A 33 5.946 7.862 14.810 1.00 9.68 H new ATOM 0 HA CYS A 33 6.436 10.692 14.556 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.196 10.341 12.085 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.855 10.844 12.344 1.00 8.88 H new ATOM 0 HG CYS A 33 6.235 7.485 12.379 1.00 13.84 H new ATOM 530 N TYR A 34 3.822 10.916 14.468 1.00 7.35 N ATOM 531 CA TYR A 34 2.368 10.906 14.781 1.00 7.08 C ATOM 532 C TYR A 34 1.609 11.438 13.573 1.00 7.71 C ATOM 533 O TYR A 34 1.574 12.627 13.333 1.00 7.80 O ATOM 534 CB TYR A 34 2.089 11.817 15.973 1.00 8.67 C ATOM 535 CG TYR A 34 2.206 11.053 17.271 1.00 9.11 C ATOM 536 CD1 TYR A 34 3.114 10.002 17.404 1.00 13.61 C ATOM 537 CD2 TYR A 34 1.397 11.424 18.355 1.00 12.44 C ATOM 538 CE1 TYR A 34 3.212 9.319 18.621 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.496 10.743 19.566 1.00 16.38 C ATOM 540 CZ TYR A 34 2.401 9.692 19.700 1.00 16.83 C ATOM 541 OH TYR A 34 2.498 9.018 20.899 1.00 21.14 O ATOM 0 H TYR A 34 4.234 11.840 14.343 1.00 7.35 H new ATOM 0 HA TYR A 34 2.052 9.890 15.018 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.791 12.650 15.972 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.089 12.243 15.885 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.739 9.717 16.571 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.696 12.239 18.251 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.913 8.504 18.728 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.872 11.029 20.400 1.00 16.38 H new ATOM 0 HH TYR A 34 1.867 9.403 21.543 1.00 21.14 H new ATOM 551 N VAL A 35 1.008 10.581 12.805 1.00 9.44 N ATOM 552 CA VAL A 35 0.267 11.070 11.613 1.00 10.66 C ATOM 553 C VAL A 35 -1.231 11.077 11.889 1.00 10.57 C ATOM 554 O VAL A 35 -1.869 10.044 11.920 1.00 8.31 O ATOM 555 CB VAL A 35 0.557 10.168 10.414 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.104 10.761 9.167 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.070 10.080 10.198 1.00 9.86 C ATOM 0 H VAL A 35 0.996 9.571 12.947 1.00 9.44 H new ATOM 0 HA VAL A 35 0.595 12.086 11.392 1.00 10.66 H new ATOM 0 HB VAL A 35 0.159 9.170 10.599 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.100 10.121 8.308 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.181 10.827 9.323 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.298 11.757 8.981 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.279 9.437 9.343 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.469 11.076 10.008 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.541 9.664 11.089 1.00 9.86 H new ATOM 567 N ASP A 36 -1.808 12.234 12.071 1.00 8.58 N ATOM 568 CA ASP A 36 -3.262 12.287 12.310 1.00 11.48 C ATOM 569 C ASP A 36 -3.944 11.706 11.078 1.00 12.38 C ATOM 570 O ASP A 36 -4.912 10.979 11.172 1.00 11.89 O ATOM 571 CB ASP A 36 -3.705 13.737 12.517 1.00 16.17 C ATOM 572 CG ASP A 36 -3.300 14.201 13.917 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.117 14.165 14.212 1.00 25.89 O ATOM 574 OD2 ASP A 36 -4.180 14.584 14.670 1.00 15.67 O ATOM 0 H ASP A 36 -1.331 13.136 12.063 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.528 11.721 13.203 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.248 14.379 11.764 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.785 13.819 12.394 1.00 16.17 H new ATOM 579 N LEU A 37 -3.416 12.014 9.921 1.00 13.17 N ATOM 580 CA LEU A 37 -3.990 11.483 8.656 1.00 18.47 C ATOM 581 C LEU A 37 -5.410 12.009 8.485 1.00 21.14 C ATOM 582 O LEU A 37 -5.691 12.818 7.624 1.00 24.24 O ATOM 583 CB LEU A 37 -4.006 9.956 8.725 1.00 15.81 C ATOM 584 CG LEU A 37 -4.737 9.393 7.511 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.130 8.038 7.149 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.220 9.218 7.848 1.00 20.01 C ATOM 0 H LEU A 37 -2.603 12.618 9.802 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.387 11.805 7.807 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -2.986 9.573 8.757 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.498 9.629 9.641 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.637 10.076 6.668 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.647 7.628 6.281 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.073 8.164 6.916 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -4.237 7.355 7.992 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.745 8.816 6.982 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -6.324 8.530 8.687 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.649 10.184 8.116 1.00 20.01 H new ATOM 598 N GLY A 38 -6.302 11.553 9.307 1.00 20.70 N ATOM 599 CA GLY A 38 -7.706 12.009 9.222 1.00 23.91 C ATOM 600 C GLY A 38 -8.512 11.334 10.334 1.00 26.50 C ATOM 601 O GLY A 38 -9.613 10.867 10.120 1.00 31.02 O ATOM 0 H GLY A 38 -6.115 10.874 10.045 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.757 13.093 9.323 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.125 11.760 8.247 1.00 23.91 H new ATOM 605 N ASN A 39 -7.963 11.265 11.521 1.00 27.64 N ATOM 606 CA ASN A 39 -8.688 10.605 12.640 1.00 30.27 C ATOM 607 C ASN A 39 -8.811 11.564 13.830 1.00 26.79 C ATOM 608 O ASN A 39 -8.900 11.147 14.968 1.00 26.87 O ATOM 609 CB ASN A 39 -7.927 9.346 13.075 1.00 35.62 C ATOM 610 CG ASN A 39 -7.154 8.767 11.884 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.584 8.882 10.753 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.023 8.144 12.092 1.00 39.63 N ATOM 0 H ASN A 39 -7.044 11.638 11.760 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.687 10.330 12.300 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -7.238 9.588 13.884 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.625 8.604 13.462 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.503 7.755 11.305 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.661 8.047 13.041 1.00 39.63 H new ATOM 619 N GLU A 40 -8.824 12.843 13.577 1.00 25.15 N ATOM 620 CA GLU A 40 -8.951 13.831 14.691 1.00 23.81 C ATOM 621 C GLU A 40 -7.956 13.499 15.811 1.00 21.12 C ATOM 622 O GLU A 40 -8.123 13.912 16.941 1.00 19.86 O ATOM 623 CB GLU A 40 -10.375 13.785 15.249 1.00 27.22 C ATOM 624 CG GLU A 40 -11.250 14.789 14.497 1.00 34.87 C ATOM 625 CD GLU A 40 -11.405 16.060 15.334 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.288 15.966 16.545 1.00 42.34 O ATOM 627 OE2 GLU A 40 -11.637 17.106 14.750 1.00 39.54 O ATOM 0 H GLU A 40 -8.752 13.250 12.645 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.734 14.828 14.307 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.785 12.780 15.146 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.368 14.019 16.314 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.801 15.028 13.533 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -12.228 14.354 14.293 1.00 34.87 H new ATOM 634 N HIS A 41 -6.922 12.766 15.504 1.00 4.81 N ATOM 635 CA HIS A 41 -5.910 12.410 16.542 1.00 4.39 C ATOM 636 C HIS A 41 -4.658 11.899 15.832 1.00 3.38 C ATOM 637 O HIS A 41 -4.753 11.362 14.749 1.00 2.51 O ATOM 638 CB HIS A 41 -6.466 11.311 17.452 1.00 4.79 C ATOM 639 CG HIS A 41 -7.482 11.898 18.392 1.00 4.35 C ATOM 640 ND1 HIS A 41 -8.839 11.903 18.105 1.00 4.60 N ATOM 641 CD2 HIS A 41 -7.356 12.502 19.617 1.00 5.16 C ATOM 642 CE1 HIS A 41 -9.469 12.493 19.137 1.00 5.82 C ATOM 643 NE2 HIS A 41 -8.612 12.877 20.086 1.00 6.57 N ATOM 0 H HIS A 41 -6.732 12.395 14.573 1.00 4.81 H new ATOM 0 HA HIS A 41 -5.673 13.283 17.149 1.00 4.39 H new ATOM 0 HB2 HIS A 41 -6.923 10.525 16.851 1.00 4.79 H new ATOM 0 HB3 HIS A 41 -5.657 10.850 18.018 1.00 4.79 H new ATOM 0 HD1 HIS A 41 -9.279 11.528 17.265 1.00 4.60 H new ATOM 0 HD2 HIS A 41 -6.424 12.662 20.139 1.00 5.16 H new ATOM 0 HE1 HIS A 41 -10.538 12.638 19.191 1.00 5.82 H new ATOM 651 N PRO A 42 -3.522 12.082 16.453 1.00 15.11 N ATOM 652 CA PRO A 42 -2.238 11.651 15.877 1.00 16.08 C ATOM 653 C PRO A 42 -2.060 10.148 16.010 1.00 17.92 C ATOM 654 O PRO A 42 -2.445 9.549 16.995 1.00 17.13 O ATOM 655 CB PRO A 42 -1.195 12.363 16.728 1.00 16.41 C ATOM 656 CG PRO A 42 -1.886 12.701 18.067 1.00 13.79 C ATOM 657 CD PRO A 42 -3.404 12.720 17.780 1.00 16.28 C ATOM 0 HA PRO A 42 -2.166 11.885 14.815 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.325 11.727 16.889 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.841 13.268 16.234 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.644 11.959 18.828 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.550 13.666 18.445 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.961 12.170 18.539 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.796 13.737 17.771 1.00 16.28 H new ATOM 665 N VAL A 43 -1.459 9.534 15.038 1.00 16.29 N ATOM 666 CA VAL A 43 -1.237 8.077 15.126 1.00 14.28 C ATOM 667 C VAL A 43 0.258 7.799 15.117 1.00 9.00 C ATOM 668 O VAL A 43 0.959 8.118 14.177 1.00 7.99 O ATOM 669 CB VAL A 43 -1.900 7.384 13.939 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.338 7.884 13.794 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.116 7.701 12.663 1.00 20.57 C ATOM 0 H VAL A 43 -1.113 9.980 14.188 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.673 7.694 16.049 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.907 6.306 14.103 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.812 7.389 12.946 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.895 7.658 14.703 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.334 8.961 13.629 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.588 7.207 11.814 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.109 8.778 12.498 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.092 7.344 12.767 1.00 20.57 H new ATOM 681 N LEU A 44 0.749 7.207 16.162 1.00 10.19 N ATOM 682 CA LEU A 44 2.196 6.907 16.229 1.00 11.55 C ATOM 683 C LEU A 44 2.531 5.826 15.206 1.00 10.61 C ATOM 684 O LEU A 44 2.144 4.682 15.340 1.00 13.49 O ATOM 685 CB LEU A 44 2.538 6.428 17.631 1.00 10.60 C ATOM 686 CG LEU A 44 4.002 6.009 17.682 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.877 7.127 17.114 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.400 5.735 19.134 1.00 20.21 C ATOM 0 H LEU A 44 0.207 6.917 16.976 1.00 10.19 H new ATOM 0 HA LEU A 44 2.777 7.801 16.004 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.351 7.222 18.354 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.899 5.589 17.906 1.00 10.60 H new ATOM 0 HG LEU A 44 4.142 5.106 17.088 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.924 6.825 17.152 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.593 7.322 16.080 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.739 8.033 17.705 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.447 5.435 19.174 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.259 6.639 19.727 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.778 4.936 19.537 1.00 20.21 H new ATOM 700 N VAL A 45 3.243 6.187 14.179 1.00 10.81 N ATOM 701 CA VAL A 45 3.604 5.195 13.131 1.00 9.29 C ATOM 702 C VAL A 45 5.119 5.032 13.085 1.00 9.95 C ATOM 703 O VAL A 45 5.857 5.805 13.666 1.00 9.36 O ATOM 704 CB VAL A 45 3.090 5.684 11.780 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.808 4.950 10.641 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.586 5.415 11.690 1.00 10.20 C ATOM 0 H VAL A 45 3.593 7.132 14.019 1.00 10.81 H new ATOM 0 HA VAL A 45 3.150 4.231 13.362 1.00 9.29 H new ATOM 0 HB VAL A 45 3.285 6.753 11.688 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.432 5.308 9.683 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.879 5.140 10.704 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.624 3.879 10.725 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.211 5.762 10.727 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.401 4.345 11.787 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.073 5.946 12.492 1.00 10.20 H new ATOM 716 N LYS A 46 5.590 4.025 12.405 1.00 10.76 N ATOM 717 CA LYS A 46 7.056 3.810 12.332 1.00 12.81 C ATOM 718 C LYS A 46 7.638 4.541 11.120 1.00 13.35 C ATOM 719 O LYS A 46 6.932 4.909 10.202 1.00 12.90 O ATOM 720 CB LYS A 46 7.349 2.313 12.215 1.00 17.04 C ATOM 721 CG LYS A 46 8.430 1.923 13.224 1.00 26.60 C ATOM 722 CD LYS A 46 7.788 1.671 14.589 1.00 33.77 C ATOM 723 CE LYS A 46 7.655 0.165 14.821 1.00 34.48 C ATOM 724 NZ LYS A 46 9.008 -0.459 14.821 1.00 36.74 N ATOM 0 H LYS A 46 5.023 3.345 11.899 1.00 10.76 H new ATOM 0 HA LYS A 46 7.517 4.204 13.238 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.441 1.739 12.399 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.678 2.074 11.204 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.952 1.028 12.885 1.00 26.60 H new ATOM 0 HG3 LYS A 46 9.174 2.716 13.301 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.395 2.119 15.376 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.807 2.145 14.634 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.155 -0.025 15.771 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.037 -0.281 14.041 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 9.029 -1.242 15.505 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 9.222 -0.824 13.871 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.718 0.252 15.087 1.00 36.74 H new ATOM 738 N ILE A 47 8.927 4.746 11.114 1.00 13.96 N ATOM 739 CA ILE A 47 9.576 5.443 9.971 1.00 16.93 C ATOM 740 C ILE A 47 11.026 4.957 9.856 1.00 16.52 C ATOM 741 O ILE A 47 11.576 4.403 10.787 1.00 17.67 O ATOM 742 CB ILE A 47 9.531 6.965 10.206 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.521 7.691 8.861 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.750 7.423 11.011 1.00 18.08 C ATOM 745 CD1 ILE A 47 8.317 8.630 8.797 1.00 18.26 C ATOM 0 H ILE A 47 9.562 4.458 11.859 1.00 13.96 H new ATOM 0 HA ILE A 47 9.049 5.221 9.043 1.00 16.93 H new ATOM 0 HB ILE A 47 8.626 7.201 10.766 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.444 8.257 8.734 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.476 6.968 8.046 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.700 8.501 11.166 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.759 6.917 11.977 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.660 7.178 10.464 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.310 9.148 7.838 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.399 8.052 8.904 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.382 9.361 9.603 1.00 18.26 H new ATOM 757 N THR A 48 11.649 5.152 8.728 1.00 16.86 N ATOM 758 CA THR A 48 13.057 4.690 8.575 1.00 16.59 C ATOM 759 C THR A 48 14.012 5.869 8.768 1.00 19.04 C ATOM 760 O THR A 48 13.674 7.007 8.510 1.00 22.56 O ATOM 761 CB THR A 48 13.254 4.099 7.178 1.00 16.30 C ATOM 762 OG1 THR A 48 12.011 3.615 6.690 1.00 17.90 O ATOM 763 CG2 THR A 48 14.262 2.952 7.245 1.00 16.02 C ATOM 0 H THR A 48 11.247 5.609 7.909 1.00 16.86 H new ATOM 0 HA THR A 48 13.268 3.928 9.326 1.00 16.59 H new ATOM 0 HB THR A 48 13.631 4.870 6.506 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.671 2.920 7.292 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.402 2.532 6.249 1.00 16.02 H new ATOM 0 HG22 THR A 48 15.215 3.327 7.618 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.889 2.178 7.916 1.00 16.02 H new ATOM 771 N LEU A 49 15.205 5.600 9.222 1.00 18.35 N ATOM 772 CA LEU A 49 16.191 6.691 9.438 1.00 18.82 C ATOM 773 C LEU A 49 17.542 6.263 8.860 1.00 20.06 C ATOM 774 O LEU A 49 18.324 5.606 9.513 1.00 18.35 O ATOM 775 CB LEU A 49 16.327 6.945 10.945 1.00 18.79 C ATOM 776 CG LEU A 49 17.280 8.113 11.215 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.725 7.605 11.253 1.00 20.41 C ATOM 778 CD2 LEU A 49 17.144 9.179 10.121 1.00 14.50 C ATOM 0 H LEU A 49 15.539 4.665 9.453 1.00 18.35 H new ATOM 0 HA LEU A 49 15.859 7.604 8.944 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.348 7.162 11.372 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.697 6.046 11.438 1.00 18.79 H new ATOM 0 HG LEU A 49 17.022 8.557 12.177 1.00 18.24 H new ATOM 0 HD11 LEU A 49 19.399 8.440 11.445 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.829 6.864 12.046 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.976 7.149 10.295 1.00 20.41 H new ATOM 0 HD21 LEU A 49 17.828 10.002 10.328 1.00 14.50 H new ATOM 0 HD22 LEU A 49 17.387 8.740 9.153 1.00 14.50 H new ATOM 0 HD23 LEU A 49 16.121 9.554 10.103 1.00 14.50 H new ATOM 790 N ASP A 50 17.822 6.617 7.635 1.00 22.62 N ATOM 791 CA ASP A 50 19.123 6.210 7.030 1.00 27.04 C ATOM 792 C ASP A 50 19.519 7.191 5.924 1.00 27.73 C ATOM 793 O ASP A 50 18.778 8.087 5.575 1.00 26.65 O ATOM 794 CB ASP A 50 18.987 4.807 6.438 1.00 29.11 C ATOM 795 CG ASP A 50 17.613 4.661 5.782 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.117 5.649 5.264 1.00 30.76 O ATOM 797 OD2 ASP A 50 17.079 3.564 5.808 1.00 33.99 O ATOM 0 H ASP A 50 17.211 7.166 7.030 1.00 22.62 H new ATOM 0 HA ASP A 50 19.893 6.214 7.802 1.00 27.04 H new ATOM 0 HB2 ASP A 50 19.773 4.633 5.703 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.110 4.057 7.220 1.00 29.11 H new ATOM 802 N GLU A 51 20.689 7.019 5.371 1.00 31.16 N ATOM 803 CA GLU A 51 21.152 7.928 4.285 1.00 34.22 C ATOM 804 C GLU A 51 21.523 9.289 4.872 1.00 34.98 C ATOM 805 O GLU A 51 20.824 10.266 4.690 1.00 34.19 O ATOM 806 CB GLU A 51 20.046 8.104 3.249 1.00 38.24 C ATOM 807 CG GLU A 51 20.682 8.204 1.865 1.00 46.84 C ATOM 808 CD GLU A 51 19.587 8.269 0.798 1.00 51.38 C ATOM 809 OE1 GLU A 51 18.426 8.188 1.164 1.00 53.83 O ATOM 810 OE2 GLU A 51 19.929 8.400 -0.366 1.00 54.92 O ATOM 0 H GLU A 51 21.347 6.283 5.627 1.00 31.16 H new ATOM 0 HA GLU A 51 22.028 7.491 3.806 1.00 34.22 H new ATOM 0 HB2 GLU A 51 19.355 7.262 3.287 1.00 38.24 H new ATOM 0 HB3 GLU A 51 19.466 9.002 3.464 1.00 38.24 H new ATOM 0 HG2 GLU A 51 21.313 9.091 1.807 1.00 46.84 H new ATOM 0 HG3 GLU A 51 21.326 7.343 1.687 1.00 46.84 H new ATOM 817 N GLY A 52 22.629 9.353 5.564 1.00 34.53 N ATOM 818 CA GLY A 52 23.081 10.645 6.171 1.00 34.93 C ATOM 819 C GLY A 52 21.875 11.449 6.664 1.00 36.10 C ATOM 820 O GLY A 52 21.893 12.664 6.675 1.00 35.97 O ATOM 0 H GLY A 52 23.246 8.560 5.738 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.759 10.447 7.001 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.638 11.225 5.435 1.00 34.93 H new ATOM 824 N GLN A 53 20.823 10.787 7.064 1.00 36.52 N ATOM 825 CA GLN A 53 19.623 11.527 7.543 1.00 35.40 C ATOM 826 C GLN A 53 19.498 11.397 9.066 1.00 31.02 C ATOM 827 O GLN A 53 19.568 10.306 9.596 1.00 29.05 O ATOM 828 CB GLN A 53 18.373 10.941 6.886 1.00 41.20 C ATOM 829 CG GLN A 53 17.938 11.846 5.736 1.00 47.61 C ATOM 830 CD GLN A 53 16.515 11.482 5.307 1.00 53.32 C ATOM 831 OE1 GLN A 53 15.751 12.336 4.905 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.125 10.238 5.377 1.00 54.76 N ATOM 0 H GLN A 53 20.744 9.770 7.079 1.00 36.52 H new ATOM 0 HA GLN A 53 19.725 12.580 7.279 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.579 9.937 6.516 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.570 10.852 7.618 1.00 41.20 H new ATOM 0 HG2 GLN A 53 17.979 12.890 6.046 1.00 47.61 H new ATOM 0 HG3 GLN A 53 18.622 11.736 4.894 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.767 9.521 5.715 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.179 9.984 5.094 1.00 54.76 H new ATOM 841 N PRO A 54 19.304 12.513 9.726 1.00 27.43 N ATOM 842 CA PRO A 54 19.151 12.549 11.190 1.00 23.44 C ATOM 843 C PRO A 54 17.723 12.157 11.577 1.00 20.14 C ATOM 844 O PRO A 54 16.774 12.506 10.904 1.00 21.64 O ATOM 845 CB PRO A 54 19.428 14.008 11.547 1.00 24.39 C ATOM 846 CG PRO A 54 19.161 14.826 10.265 1.00 27.18 C ATOM 847 CD PRO A 54 19.222 13.839 9.084 1.00 28.37 C ATOM 0 HA PRO A 54 19.814 11.858 11.710 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.782 14.339 12.361 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.457 14.137 11.884 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.186 15.311 10.313 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.904 15.615 10.148 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.339 13.921 8.450 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.088 14.029 8.450 1.00 28.37 H new ATOM 855 N ALA A 55 17.562 11.429 12.649 1.00 17.21 N ATOM 856 CA ALA A 55 16.196 11.012 13.071 1.00 15.58 C ATOM 857 C ALA A 55 15.216 12.178 12.902 1.00 16.41 C ATOM 858 O ALA A 55 15.543 13.319 13.161 1.00 13.65 O ATOM 859 CB ALA A 55 16.232 10.587 14.540 1.00 13.98 C ATOM 0 H ALA A 55 18.319 11.105 13.251 1.00 17.21 H new ATOM 0 HA ALA A 55 15.867 10.178 12.451 1.00 15.58 H new ATOM 0 HB1 ALA A 55 15.234 10.281 14.855 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.923 9.753 14.661 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.564 11.425 15.153 1.00 13.98 H new ATOM 865 N TYR A 56 14.015 11.897 12.471 1.00 15.93 N ATOM 866 CA TYR A 56 13.012 12.985 12.286 1.00 14.61 C ATOM 867 C TYR A 56 13.007 13.879 13.527 1.00 15.51 C ATOM 868 O TYR A 56 12.394 13.569 14.527 1.00 17.19 O ATOM 869 CB TYR A 56 11.621 12.372 12.078 1.00 12.92 C ATOM 870 CG TYR A 56 11.605 11.618 10.764 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.112 10.314 10.706 1.00 12.42 C ATOM 872 CD2 TYR A 56 11.102 12.226 9.609 1.00 7.14 C ATOM 873 CE1 TYR A 56 12.115 9.619 9.493 1.00 11.47 C ATOM 874 CE2 TYR A 56 11.107 11.529 8.394 1.00 7.90 C ATOM 875 CZ TYR A 56 11.613 10.226 8.337 1.00 10.29 C ATOM 876 OH TYR A 56 11.617 9.540 7.140 1.00 12.03 O ATOM 0 H TYR A 56 13.685 10.960 12.239 1.00 15.93 H new ATOM 0 HA TYR A 56 13.272 13.581 11.411 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.379 11.699 12.901 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.862 13.154 12.072 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.501 9.845 11.598 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.710 13.231 9.654 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.505 8.613 9.448 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.720 11.998 7.501 1.00 7.90 H new ATOM 0 HH TYR A 56 11.233 10.105 6.438 1.00 12.03 H new ATOM 886 N ALA A 57 13.698 14.985 13.471 1.00 13.38 N ATOM 887 CA ALA A 57 13.745 15.899 14.648 1.00 14.95 C ATOM 888 C ALA A 57 12.324 16.162 15.156 1.00 15.46 C ATOM 889 O ALA A 57 11.362 15.722 14.560 1.00 17.82 O ATOM 890 CB ALA A 57 14.391 17.224 14.238 1.00 14.98 C ATOM 0 H ALA A 57 14.233 15.296 12.660 1.00 13.38 H new ATOM 0 HA ALA A 57 14.332 15.435 15.441 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.426 17.893 15.098 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.404 17.040 13.880 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.804 17.685 13.443 1.00 14.98 H new ATOM 896 N PRO A 58 12.241 16.878 16.249 1.00 15.20 N ATOM 897 CA PRO A 58 10.955 17.228 16.876 1.00 16.55 C ATOM 898 C PRO A 58 10.286 18.376 16.115 1.00 16.75 C ATOM 899 O PRO A 58 10.816 19.465 16.023 1.00 17.28 O ATOM 900 CB PRO A 58 11.351 17.665 18.289 1.00 15.65 C ATOM 901 CG PRO A 58 12.840 18.081 18.216 1.00 14.16 C ATOM 902 CD PRO A 58 13.424 17.406 16.962 1.00 13.96 C ATOM 0 HA PRO A 58 10.239 16.406 16.876 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.732 18.496 18.626 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.209 16.852 19.001 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.937 19.165 18.153 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.375 17.764 19.111 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.975 18.118 16.347 1.00 13.96 H new ATOM 0 HD3 PRO A 58 14.118 16.608 17.226 1.00 13.96 H new ATOM 910 N GLY A 59 9.125 18.139 15.568 1.00 17.22 N ATOM 911 CA GLY A 59 8.424 19.215 14.812 1.00 15.08 C ATOM 912 C GLY A 59 7.242 18.615 14.049 1.00 14.96 C ATOM 913 O GLY A 59 7.084 17.415 13.985 1.00 13.79 O ATOM 0 H GLY A 59 8.632 17.247 15.612 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.074 19.987 15.497 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.114 19.694 14.117 1.00 15.08 H new ATOM 917 N LEU A 60 6.411 19.439 13.468 1.00 15.83 N ATOM 918 CA LEU A 60 5.248 18.909 12.705 1.00 14.53 C ATOM 919 C LEU A 60 5.751 18.284 11.407 1.00 14.15 C ATOM 920 O LEU A 60 6.731 18.725 10.844 1.00 13.27 O ATOM 921 CB LEU A 60 4.288 20.053 12.386 1.00 15.84 C ATOM 922 CG LEU A 60 3.202 20.099 13.456 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.794 20.629 14.764 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.067 21.017 12.997 1.00 15.01 C ATOM 0 H LEU A 60 6.489 20.456 13.490 1.00 15.83 H new ATOM 0 HA LEU A 60 4.726 18.157 13.297 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.827 21.000 12.355 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.842 19.908 11.402 1.00 15.84 H new ATOM 0 HG LEU A 60 2.810 19.095 13.617 1.00 16.91 H new ATOM 0 HD11 LEU A 60 3.017 20.662 15.528 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.599 19.971 15.092 1.00 19.57 H new ATOM 0 HD13 LEU A 60 4.188 21.633 14.605 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.292 21.048 13.763 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.456 22.022 12.833 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.644 20.635 12.068 1.00 15.01 H new ATOM 936 N TYR A 61 5.103 17.258 10.923 1.00 11.12 N ATOM 937 CA TYR A 61 5.577 16.624 9.667 1.00 9.57 C ATOM 938 C TYR A 61 4.438 16.410 8.691 1.00 11.76 C ATOM 939 O TYR A 61 3.273 16.405 9.036 1.00 11.26 O ATOM 940 CB TYR A 61 6.210 15.271 9.969 1.00 9.42 C ATOM 941 CG TYR A 61 7.620 15.492 10.428 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.865 15.944 11.724 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.680 15.264 9.545 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.176 16.170 12.144 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.992 15.488 9.964 1.00 13.03 C ATOM 946 CZ TYR A 61 10.237 15.942 11.262 1.00 11.06 C ATOM 947 OH TYR A 61 11.535 16.157 11.682 1.00 14.61 O ATOM 0 H TYR A 61 4.273 16.837 11.341 1.00 11.12 H new ATOM 0 HA TYR A 61 6.309 17.296 9.220 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.640 14.750 10.738 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.196 14.641 9.080 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.042 16.119 12.401 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.484 14.916 8.542 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.371 16.520 13.147 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.815 15.311 9.287 1.00 13.03 H new ATOM 0 HH TYR A 61 11.582 16.070 12.657 1.00 14.61 H new ATOM 957 N THR A 62 4.802 16.186 7.471 1.00 12.22 N ATOM 958 CA THR A 62 3.819 15.909 6.411 1.00 14.26 C ATOM 959 C THR A 62 4.455 14.859 5.531 1.00 15.40 C ATOM 960 O THR A 62 5.522 15.058 4.982 1.00 16.24 O ATOM 961 CB THR A 62 3.534 17.164 5.598 1.00 15.07 C ATOM 962 OG1 THR A 62 4.647 17.452 4.762 1.00 18.36 O ATOM 963 CG2 THR A 62 3.283 18.333 6.544 1.00 11.61 C ATOM 0 H THR A 62 5.773 16.184 7.157 1.00 12.22 H new ATOM 0 HA THR A 62 2.869 15.575 6.829 1.00 14.26 H new ATOM 0 HB THR A 62 2.652 17.005 4.978 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.462 18.259 4.238 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.079 19.233 5.964 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.427 18.109 7.180 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.164 18.494 7.165 1.00 11.61 H new ATOM 971 N VAL A 63 3.849 13.732 5.419 1.00 14.65 N ATOM 972 CA VAL A 63 4.472 12.673 4.603 1.00 15.17 C ATOM 973 C VAL A 63 4.808 13.233 3.228 1.00 14.24 C ATOM 974 O VAL A 63 4.381 14.308 2.858 1.00 19.13 O ATOM 975 CB VAL A 63 3.539 11.481 4.484 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.362 10.255 4.107 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.852 11.242 5.833 1.00 18.64 C ATOM 0 H VAL A 63 2.956 13.494 5.851 1.00 14.65 H new ATOM 0 HA VAL A 63 5.389 12.335 5.085 1.00 15.17 H new ATOM 0 HB VAL A 63 2.782 11.669 3.722 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.705 9.389 4.018 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.862 10.431 3.155 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.108 10.066 4.879 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.181 10.387 5.753 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.606 11.042 6.595 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.280 12.127 6.112 1.00 18.64 H new ATOM 987 N HIS A 64 5.585 12.518 2.478 1.00 13.31 N ATOM 988 CA HIS A 64 5.975 13.009 1.131 1.00 10.78 C ATOM 989 C HIS A 64 5.716 11.909 0.103 1.00 14.19 C ATOM 990 O HIS A 64 6.148 10.781 0.267 1.00 11.59 O ATOM 991 CB HIS A 64 7.464 13.366 1.142 1.00 11.86 C ATOM 992 CG HIS A 64 7.755 14.400 0.087 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.108 14.412 -1.138 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.643 15.447 0.050 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.614 15.426 -1.857 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.553 16.094 -1.180 1.00 20.65 N ATOM 0 H HIS A 64 5.970 11.610 2.738 1.00 13.31 H new ATOM 0 HA HIS A 64 5.391 13.892 0.871 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.748 13.746 2.123 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.062 12.473 0.961 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.310 15.726 0.853 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.300 15.672 -2.861 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.088 16.903 -1.496 1.00 20.65 H new ATOM 1004 N LEU A 65 5.019 12.225 -0.960 1.00 12.93 N ATOM 1005 CA LEU A 65 4.737 11.200 -1.999 1.00 14.44 C ATOM 1006 C LEU A 65 6.025 10.867 -2.758 1.00 12.66 C ATOM 1007 O LEU A 65 6.036 10.024 -3.632 1.00 10.20 O ATOM 1008 CB LEU A 65 3.663 11.723 -2.965 1.00 14.94 C ATOM 1009 CG LEU A 65 4.289 12.631 -4.009 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.165 11.973 -5.386 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.573 13.981 -4.019 1.00 19.03 C ATOM 0 H LEU A 65 4.635 13.151 -1.149 1.00 12.93 H new ATOM 0 HA LEU A 65 4.366 10.292 -1.524 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.165 10.886 -3.453 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.900 12.268 -2.410 1.00 14.94 H new ATOM 0 HG LEU A 65 5.341 12.789 -3.770 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.613 12.620 -6.140 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.682 11.013 -5.378 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.112 11.816 -5.621 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.027 14.628 -4.770 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.520 13.832 -4.257 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.661 14.447 -3.038 1.00 19.03 H new ATOM 1023 N SER A 66 7.120 11.505 -2.421 1.00 13.51 N ATOM 1024 CA SER A 66 8.391 11.191 -3.117 1.00 10.39 C ATOM 1025 C SER A 66 8.648 9.695 -2.953 1.00 8.56 C ATOM 1026 O SER A 66 9.411 9.093 -3.682 1.00 11.70 O ATOM 1027 CB SER A 66 9.535 11.983 -2.481 1.00 12.88 C ATOM 1028 OG SER A 66 10.151 11.191 -1.474 1.00 14.72 O ATOM 0 H SER A 66 7.181 12.223 -1.699 1.00 13.51 H new ATOM 0 HA SER A 66 8.328 11.457 -4.172 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.267 12.261 -3.240 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.156 12.910 -2.050 1.00 12.88 H new ATOM 0 HG SER A 66 10.886 11.695 -1.065 1.00 14.72 H new ATOM 1034 N SER A 67 8.005 9.098 -1.984 1.00 7.98 N ATOM 1035 CA SER A 67 8.187 7.644 -1.736 1.00 8.20 C ATOM 1036 C SER A 67 7.059 6.851 -2.407 1.00 11.02 C ATOM 1037 O SER A 67 7.071 5.636 -2.423 1.00 11.45 O ATOM 1038 CB SER A 67 8.158 7.385 -0.232 1.00 8.01 C ATOM 1039 OG SER A 67 9.163 8.170 0.396 1.00 11.22 O ATOM 0 H SER A 67 7.356 9.563 -1.350 1.00 7.98 H new ATOM 0 HA SER A 67 9.143 7.326 -2.151 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.178 7.635 0.174 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.326 6.327 -0.030 1.00 8.01 H new ATOM 0 HG SER A 67 9.672 7.612 1.020 1.00 11.22 H new ATOM 1045 N PHE A 68 6.076 7.524 -2.944 1.00 10.09 N ATOM 1046 CA PHE A 68 4.943 6.802 -3.589 1.00 11.79 C ATOM 1047 C PHE A 68 5.352 6.349 -4.990 1.00 12.69 C ATOM 1048 O PHE A 68 6.255 6.894 -5.593 1.00 14.25 O ATOM 1049 CB PHE A 68 3.731 7.738 -3.672 1.00 10.08 C ATOM 1050 CG PHE A 68 3.404 8.287 -2.300 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.126 7.874 -1.166 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.395 9.248 -2.168 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.835 8.422 0.084 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.111 9.798 -0.916 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.831 9.386 0.207 1.00 11.87 C ATOM 0 H PHE A 68 6.010 8.542 -2.963 1.00 10.09 H new ATOM 0 HA PHE A 68 4.682 5.924 -2.998 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.941 8.557 -4.360 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.872 7.199 -4.071 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.906 7.133 -1.263 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.835 9.565 -3.036 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.386 8.101 0.956 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.334 10.542 -0.817 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.611 9.814 1.174 1.00 11.87 H new ATOM 1065 N LYS A 69 4.696 5.349 -5.509 1.00 12.51 N ATOM 1066 CA LYS A 69 5.046 4.851 -6.870 1.00 15.38 C ATOM 1067 C LYS A 69 3.766 4.504 -7.631 1.00 15.02 C ATOM 1068 O LYS A 69 2.688 4.467 -7.070 1.00 15.36 O ATOM 1069 CB LYS A 69 5.920 3.600 -6.751 1.00 16.04 C ATOM 1070 CG LYS A 69 5.575 2.850 -5.461 1.00 20.35 C ATOM 1071 CD LYS A 69 5.993 1.385 -5.594 1.00 21.35 C ATOM 1072 CE LYS A 69 4.766 0.487 -5.422 1.00 30.24 C ATOM 1073 NZ LYS A 69 4.382 0.440 -3.983 1.00 32.70 N ATOM 0 H LYS A 69 3.932 4.854 -5.050 1.00 12.51 H new ATOM 0 HA LYS A 69 5.592 5.626 -7.408 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.763 2.952 -7.613 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.974 3.879 -6.750 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.085 3.309 -4.614 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.505 2.917 -5.264 1.00 20.35 H new ATOM 0 HD2 LYS A 69 6.449 1.213 -6.569 1.00 21.35 H new ATOM 0 HD3 LYS A 69 6.744 1.140 -4.843 1.00 21.35 H new ATOM 0 HE2 LYS A 69 3.937 0.868 -6.018 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.984 -0.518 -5.784 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 3.625 -0.260 -3.848 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 5.208 0.171 -3.412 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 4.044 1.377 -3.683 1.00 32.70 H new ATOM 1087 N VAL A 70 3.875 4.245 -8.905 1.00 13.65 N ATOM 1088 CA VAL A 70 2.665 3.895 -9.700 1.00 13.49 C ATOM 1089 C VAL A 70 2.725 2.420 -10.094 1.00 11.85 C ATOM 1090 O VAL A 70 3.767 1.902 -10.445 1.00 12.13 O ATOM 1091 CB VAL A 70 2.608 4.756 -10.958 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.167 4.821 -11.467 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.101 6.168 -10.634 1.00 15.63 C ATOM 0 H VAL A 70 4.750 4.261 -9.430 1.00 13.65 H new ATOM 0 HA VAL A 70 1.774 4.077 -9.099 1.00 13.49 H new ATOM 0 HB VAL A 70 3.245 4.318 -11.727 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.126 5.436 -12.366 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.818 3.815 -11.699 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.529 5.258 -10.699 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.060 6.783 -11.533 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.466 6.607 -9.865 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.128 6.121 -10.273 1.00 15.63 H new ATOM 1103 N GLY A 71 1.616 1.737 -10.035 1.00 11.15 N ATOM 1104 CA GLY A 71 1.609 0.293 -10.402 1.00 11.07 C ATOM 1105 C GLY A 71 0.778 -0.485 -9.381 1.00 12.15 C ATOM 1106 O GLY A 71 -0.068 0.068 -8.707 1.00 12.70 O ATOM 0 H GLY A 71 0.714 2.116 -9.748 1.00 11.15 H new ATOM 0 HA2 GLY A 71 1.194 0.162 -11.401 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.628 -0.092 -10.428 1.00 11.07 H new ATOM 1110 N GLN A 72 1.008 -1.763 -9.260 1.00 15.78 N ATOM 1111 CA GLN A 72 0.225 -2.567 -8.283 1.00 19.42 C ATOM 1112 C GLN A 72 -1.249 -2.545 -8.684 1.00 16.97 C ATOM 1113 O GLN A 72 -2.046 -1.821 -8.121 1.00 20.46 O ATOM 1114 CB GLN A 72 0.384 -1.969 -6.884 1.00 22.64 C ATOM 1115 CG GLN A 72 0.995 -3.013 -5.947 1.00 25.29 C ATOM 1116 CD GLN A 72 0.172 -4.301 -6.013 1.00 26.29 C ATOM 1117 OE1 GLN A 72 0.721 -5.384 -6.053 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -1.131 -4.229 -6.025 1.00 25.15 N ATOM 0 H GLN A 72 1.703 -2.284 -9.795 1.00 15.78 H new ATOM 0 HA GLN A 72 0.589 -3.595 -8.278 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.021 -1.085 -6.925 1.00 22.64 H new ATOM 0 HB3 GLN A 72 -0.585 -1.646 -6.503 1.00 22.64 H new ATOM 0 HG2 GLN A 72 2.028 -3.214 -6.233 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.015 -2.633 -4.925 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -1.592 -3.320 -5.991 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -1.689 -5.082 -6.068 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.614 -3.329 -9.661 1.00 14.56 N ATOM 1128 CA PHE A 73 -3.036 -3.353 -10.111 1.00 14.60 C ATOM 1129 C PHE A 73 -3.374 -2.032 -10.803 1.00 15.63 C ATOM 1130 O PHE A 73 -4.516 -1.751 -11.105 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.953 -3.546 -8.902 1.00 12.63 C ATOM 1132 CG PHE A 73 -4.529 -4.939 -8.929 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -5.477 -5.287 -9.899 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -4.115 -5.885 -7.984 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -6.012 -6.581 -9.923 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -4.649 -7.179 -8.008 1.00 20.44 C ATOM 1137 CZ PHE A 73 -5.597 -7.527 -8.977 1.00 17.88 C ATOM 0 H PHE A 73 -0.989 -3.955 -10.168 1.00 14.56 H new ATOM 0 HA PHE A 73 -3.181 -4.177 -10.810 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -3.395 -3.389 -7.979 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -4.755 -2.808 -8.918 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.796 -4.557 -10.629 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -3.383 -5.617 -7.236 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -6.744 -6.849 -10.670 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -4.329 -7.909 -7.279 1.00 20.44 H new ATOM 0 HZ PHE A 73 -6.009 -8.525 -8.995 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.386 -1.219 -11.057 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.645 0.084 -11.731 1.00 13.44 C ATOM 1149 C GLY A 74 -3.156 1.099 -10.707 1.00 10.42 C ATOM 1150 O GLY A 74 -4.116 1.804 -10.945 1.00 13.62 O ATOM 0 H GLY A 74 -1.409 -1.401 -10.827 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.731 0.452 -12.197 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.379 -0.046 -12.526 1.00 13.44 H new ATOM 1154 N SER A 75 -2.523 1.181 -9.569 1.00 12.64 N ATOM 1155 CA SER A 75 -2.978 2.153 -8.534 1.00 12.47 C ATOM 1156 C SER A 75 -1.769 2.677 -7.756 1.00 12.47 C ATOM 1157 O SER A 75 -0.856 1.941 -7.439 1.00 11.32 O ATOM 1158 CB SER A 75 -3.942 1.459 -7.572 1.00 11.21 C ATOM 1159 OG SER A 75 -4.832 2.422 -7.023 1.00 18.27 O ATOM 0 H SER A 75 -1.712 0.619 -9.311 1.00 12.64 H new ATOM 0 HA SER A 75 -3.486 2.987 -9.019 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.503 0.685 -8.096 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.386 0.965 -6.775 1.00 11.21 H new ATOM 0 HG SER A 75 -5.453 1.980 -6.407 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.758 3.944 -7.444 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.610 4.515 -6.684 1.00 12.18 C ATOM 1167 C LEU A 76 -0.422 3.730 -5.385 1.00 12.07 C ATOM 1168 O LEU A 76 -1.341 3.113 -4.884 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.894 5.983 -6.358 1.00 11.99 C ATOM 1170 CG LEU A 76 0.319 6.835 -6.735 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.442 6.900 -8.259 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.142 8.249 -6.175 1.00 7.80 C ATOM 0 H LEU A 76 -2.494 4.608 -7.682 1.00 12.43 H new ATOM 0 HA LEU A 76 0.297 4.447 -7.285 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.774 6.324 -6.903 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.114 6.095 -5.296 1.00 11.99 H new ATOM 0 HG LEU A 76 1.222 6.389 -6.317 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.306 7.507 -8.529 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.567 5.893 -8.657 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.460 7.346 -8.678 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.006 8.857 -6.443 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.760 8.696 -6.593 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.054 8.202 -5.090 1.00 7.80 H new ATOM 1184 N MET A 77 0.762 3.747 -4.834 1.00 14.08 N ATOM 1185 CA MET A 77 1.003 3.000 -3.568 1.00 14.12 C ATOM 1186 C MET A 77 2.307 3.480 -2.928 1.00 11.37 C ATOM 1187 O MET A 77 3.335 3.559 -3.571 1.00 11.44 O ATOM 1188 CB MET A 77 1.108 1.503 -3.870 1.00 16.48 C ATOM 1189 CG MET A 77 -0.294 0.921 -4.053 1.00 24.75 C ATOM 1190 SD MET A 77 -0.273 -0.844 -3.653 1.00 35.11 S ATOM 1191 CE MET A 77 -2.065 -1.082 -3.583 1.00 33.86 C ATOM 0 H MET A 77 1.571 4.245 -5.206 1.00 14.08 H new ATOM 0 HA MET A 77 0.175 3.177 -2.882 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.700 1.343 -4.771 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.622 0.992 -3.056 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.002 1.442 -3.409 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.629 1.068 -5.080 1.00 24.75 H new ATOM 0 HE1 MET A 77 -2.285 -2.123 -3.345 1.00 33.86 H new ATOM 0 HE2 MET A 77 -2.488 -0.437 -2.813 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.503 -0.830 -4.549 1.00 33.86 H new ATOM 1201 N ILE A 78 2.273 3.801 -1.664 1.00 11.78 N ATOM 1202 CA ILE A 78 3.510 4.274 -0.980 1.00 11.62 C ATOM 1203 C ILE A 78 4.556 3.156 -0.970 1.00 11.45 C ATOM 1204 O ILE A 78 4.251 2.007 -0.718 1.00 12.59 O ATOM 1205 CB ILE A 78 3.192 4.645 0.463 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.276 5.870 0.503 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.494 4.950 1.204 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.935 5.485 1.134 1.00 13.67 C ATOM 0 H ILE A 78 1.442 3.756 -1.075 1.00 11.78 H new ATOM 0 HA ILE A 78 3.894 5.143 -1.515 1.00 11.62 H new ATOM 0 HB ILE A 78 2.683 3.810 0.944 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.744 6.669 1.078 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.119 6.253 -0.505 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.271 5.216 2.237 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.137 4.070 1.187 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.003 5.782 0.717 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.282 6.358 1.163 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.466 4.700 0.541 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.101 5.123 2.149 1.00 13.67 H new ATOM 1220 N ASP A 79 5.790 3.490 -1.216 1.00 10.05 N ATOM 1221 CA ASP A 79 6.871 2.459 -1.196 1.00 14.79 C ATOM 1222 C ASP A 79 7.705 2.659 0.071 1.00 15.20 C ATOM 1223 O ASP A 79 8.346 1.754 0.568 1.00 18.10 O ATOM 1224 CB ASP A 79 7.760 2.622 -2.433 1.00 12.21 C ATOM 1225 CG ASP A 79 9.064 1.846 -2.237 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.857 2.260 -1.407 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.248 0.852 -2.919 1.00 21.87 O ATOM 0 H ASP A 79 6.102 4.437 -1.432 1.00 10.05 H new ATOM 0 HA ASP A 79 6.438 1.459 -1.204 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.238 2.258 -3.318 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.975 3.677 -2.601 1.00 12.21 H new ATOM 1232 N ARG A 80 7.678 3.849 0.592 1.00 17.08 N ATOM 1233 CA ARG A 80 8.432 4.176 1.831 1.00 17.14 C ATOM 1234 C ARG A 80 8.199 5.652 2.118 1.00 14.98 C ATOM 1235 O ARG A 80 9.079 6.479 1.990 1.00 16.47 O ATOM 1236 CB ARG A 80 9.924 3.905 1.635 1.00 17.78 C ATOM 1237 CG ARG A 80 10.675 4.251 2.922 1.00 22.76 C ATOM 1238 CD ARG A 80 11.062 2.963 3.651 1.00 28.43 C ATOM 1239 NE ARG A 80 10.181 2.783 4.840 1.00 33.10 N ATOM 1240 CZ ARG A 80 10.123 1.627 5.445 1.00 30.84 C ATOM 1241 NH1 ARG A 80 10.836 0.622 5.012 1.00 33.12 N ATOM 1242 NH2 ARG A 80 9.350 1.476 6.485 1.00 35.04 N ATOM 0 H ARG A 80 7.151 4.630 0.201 1.00 17.08 H new ATOM 0 HA ARG A 80 8.092 3.559 2.663 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.084 2.858 1.377 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.307 4.500 0.806 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.568 4.832 2.689 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.050 4.871 3.565 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.965 2.109 2.980 1.00 28.43 H new ATOM 0 HD3 ARG A 80 12.106 3.007 3.962 1.00 28.43 H new ATOM 0 HE ARG A 80 9.622 3.565 5.182 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.441 0.739 4.199 1.00 33.12 H new ATOM 0 HH12 ARG A 80 10.788 -0.279 5.487 1.00 33.12 H new ATOM 0 HH21 ARG A 80 8.792 2.260 6.824 1.00 35.04 H new ATOM 0 HH22 ARG A 80 9.303 0.574 6.959 1.00 35.04 H new ATOM 1256 N LEU A 81 6.987 5.965 2.464 1.00 11.03 N ATOM 1257 CA LEU A 81 6.577 7.368 2.736 1.00 11.27 C ATOM 1258 C LEU A 81 7.750 8.211 3.258 1.00 15.61 C ATOM 1259 O LEU A 81 8.324 7.931 4.291 1.00 18.56 O ATOM 1260 CB LEU A 81 5.416 7.338 3.736 1.00 13.62 C ATOM 1261 CG LEU A 81 5.925 7.525 5.161 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.730 7.616 6.112 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.792 6.319 5.544 1.00 18.72 C ATOM 0 H LEU A 81 6.237 5.283 2.574 1.00 11.03 H new ATOM 0 HA LEU A 81 6.254 7.842 1.809 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.701 8.124 3.494 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.885 6.389 3.656 1.00 13.62 H new ATOM 0 HG LEU A 81 6.516 8.438 5.229 1.00 12.84 H new ATOM 0 HD11 LEU A 81 5.087 7.750 7.133 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.106 8.464 5.832 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.145 6.699 6.050 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.160 6.444 6.562 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.196 5.408 5.483 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.637 6.246 4.859 1.00 18.72 H new ATOM 1275 N ARG A 82 8.098 9.251 2.547 1.00 13.37 N ATOM 1276 CA ARG A 82 9.218 10.124 2.997 1.00 12.72 C ATOM 1277 C ARG A 82 8.657 11.211 3.914 1.00 13.33 C ATOM 1278 O ARG A 82 8.090 12.186 3.463 1.00 13.27 O ATOM 1279 CB ARG A 82 9.883 10.772 1.781 1.00 13.85 C ATOM 1280 CG ARG A 82 11.288 10.194 1.600 1.00 16.22 C ATOM 1281 CD ARG A 82 12.320 11.175 2.159 1.00 16.62 C ATOM 1282 NE ARG A 82 12.679 12.172 1.111 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.301 13.273 1.438 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.608 13.508 2.686 1.00 20.55 N ATOM 1285 NH2 ARG A 82 13.616 14.141 0.516 1.00 16.89 N ATOM 0 H ARG A 82 7.653 9.533 1.673 1.00 13.37 H new ATOM 0 HA ARG A 82 9.958 9.531 3.535 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.286 10.591 0.887 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.937 11.852 1.915 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.367 9.235 2.113 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.483 10.008 0.544 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.917 11.682 3.036 1.00 16.62 H new ATOM 0 HD3 ARG A 82 13.210 10.637 2.484 1.00 16.62 H new ATOM 0 HE ARG A 82 12.438 11.994 0.136 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.362 12.831 3.408 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.094 14.369 2.938 1.00 20.55 H new ATOM 0 HH21 ARG A 82 13.376 13.959 -0.459 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.102 15.001 0.770 1.00 16.89 H new ATOM 1299 N LEU A 83 8.794 11.041 5.199 1.00 13.53 N ATOM 1300 CA LEU A 83 8.251 12.057 6.147 1.00 13.86 C ATOM 1301 C LEU A 83 9.058 13.350 6.070 1.00 13.02 C ATOM 1302 O LEU A 83 10.268 13.344 5.958 1.00 14.40 O ATOM 1303 CB LEU A 83 8.324 11.531 7.581 1.00 9.93 C ATOM 1304 CG LEU A 83 6.920 11.419 8.177 1.00 8.07 C ATOM 1305 CD1 LEU A 83 7.032 11.236 9.694 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.138 12.699 7.879 1.00 10.58 C ATOM 0 H LEU A 83 9.258 10.244 5.635 1.00 13.53 H new ATOM 0 HA LEU A 83 7.215 12.253 5.870 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.811 10.556 7.594 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.933 12.199 8.190 1.00 9.93 H new ATOM 0 HG LEU A 83 6.402 10.566 7.739 1.00 8.07 H new ATOM 0 HD11 LEU A 83 6.034 11.155 10.125 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.595 10.328 9.910 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.546 12.094 10.127 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.137 12.621 8.303 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.654 13.552 8.321 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.065 12.838 6.800 1.00 10.58 H new ATOM 1318 N VAL A 84 8.385 14.460 6.150 1.00 11.81 N ATOM 1319 CA VAL A 84 9.071 15.769 6.108 1.00 12.86 C ATOM 1320 C VAL A 84 8.338 16.710 7.068 1.00 14.98 C ATOM 1321 O VAL A 84 7.163 16.537 7.306 1.00 13.59 O ATOM 1322 CB VAL A 84 8.995 16.316 4.684 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.645 15.323 3.719 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.529 16.523 4.295 1.00 17.34 C ATOM 0 H VAL A 84 7.371 14.512 6.244 1.00 11.81 H new ATOM 0 HA VAL A 84 10.117 15.677 6.400 1.00 12.86 H new ATOM 0 HB VAL A 84 9.522 17.268 4.632 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.590 15.714 2.703 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.689 15.177 3.996 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.119 14.369 3.769 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.474 16.913 3.279 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.001 15.571 4.347 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.067 17.232 4.982 1.00 17.34 H new ATOM 1334 N PRO A 85 9.035 17.683 7.583 1.00 18.65 N ATOM 1335 CA PRO A 85 8.441 18.662 8.507 1.00 22.41 C ATOM 1336 C PRO A 85 7.310 19.436 7.810 1.00 25.70 C ATOM 1337 O PRO A 85 7.388 19.747 6.638 1.00 22.08 O ATOM 1338 CB PRO A 85 9.620 19.549 8.911 1.00 21.19 C ATOM 1339 CG PRO A 85 10.690 19.339 7.828 1.00 18.95 C ATOM 1340 CD PRO A 85 10.453 17.919 7.285 1.00 20.63 C ATOM 0 HA PRO A 85 7.971 18.214 9.383 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.321 20.596 8.968 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.999 19.272 9.895 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.598 20.082 7.036 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.693 19.438 8.243 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.656 17.857 6.216 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.095 17.187 7.775 1.00 20.63 H new ATOM 1348 N ALA A 86 6.248 19.723 8.520 1.00 31.74 N ATOM 1349 CA ALA A 86 5.096 20.447 7.903 1.00 39.94 C ATOM 1350 C ALA A 86 5.423 21.938 7.794 1.00 46.96 C ATOM 1351 O ALA A 86 5.631 22.611 8.784 1.00 49.29 O ATOM 1352 CB ALA A 86 3.855 20.258 8.782 1.00 39.70 C ATOM 0 H ALA A 86 6.129 19.486 9.505 1.00 31.74 H new ATOM 0 HA ALA A 86 4.906 20.048 6.907 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.010 20.784 8.337 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.622 19.196 8.858 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.049 20.659 9.777 1.00 39.70 H new ATOM 1358 N LYS A 87 5.469 22.460 6.599 1.00 51.78 N ATOM 1359 CA LYS A 87 5.780 23.908 6.432 1.00 55.12 C ATOM 1360 C LYS A 87 4.478 24.692 6.258 1.00 55.82 C ATOM 1361 O LYS A 87 4.545 25.909 6.206 1.00 58.05 O ATOM 1362 CB LYS A 87 6.661 24.102 5.196 1.00 52.96 C ATOM 1363 CG LYS A 87 7.942 23.279 5.346 1.00 55.49 C ATOM 1364 CD LYS A 87 7.976 22.187 4.276 1.00 56.64 C ATOM 1365 CE LYS A 87 8.865 22.635 3.114 1.00 58.91 C ATOM 1366 NZ LYS A 87 9.465 21.440 2.456 1.00 58.16 N ATOM 1367 OXT LYS A 87 3.436 24.062 6.179 1.00 57.66 O ATOM 0 H LYS A 87 5.305 21.948 5.732 1.00 51.78 H new ATOM 0 HA LYS A 87 6.308 24.270 7.314 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.122 23.794 4.300 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.906 25.157 5.074 1.00 52.96 H new ATOM 0 HG2 LYS A 87 8.815 23.925 5.249 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.985 22.831 6.339 1.00 55.49 H new ATOM 0 HD2 LYS A 87 8.357 21.259 4.701 1.00 56.64 H new ATOM 0 HD3 LYS A 87 6.967 21.983 3.918 1.00 56.64 H new ATOM 0 HE2 LYS A 87 8.279 23.204 2.393 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.652 23.296 3.478 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 10.069 21.745 1.666 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 10.038 20.914 3.147 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 8.708 20.826 2.095 1.00 58.16 H new ATOM 1382 N MET B 1 2.839 17.347 -2.779 1.00 42.32 N ATOM 1383 CA MET B 1 1.450 17.135 -3.277 1.00 40.89 C ATOM 1384 C MET B 1 1.462 16.095 -4.395 1.00 34.75 C ATOM 1385 O MET B 1 2.036 16.306 -5.445 1.00 33.97 O ATOM 1386 CB MET B 1 0.895 18.455 -3.820 1.00 48.45 C ATOM 1387 CG MET B 1 -0.371 18.191 -4.647 1.00 56.13 C ATOM 1388 SD MET B 1 -1.332 19.720 -4.767 1.00 64.91 S ATOM 1389 CE MET B 1 -0.201 20.613 -5.863 1.00 63.43 C ATOM 0 H1 MET B 1 2.838 18.092 -2.053 1.00 42.32 H new ATOM 0 H2 MET B 1 3.199 16.463 -2.367 1.00 42.32 H new ATOM 0 H3 MET B 1 3.451 17.635 -3.569 1.00 42.32 H new ATOM 0 HA MET B 1 0.822 16.784 -2.458 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.666 19.130 -2.995 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.646 18.949 -4.437 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.103 17.837 -5.642 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.968 17.408 -4.180 1.00 56.13 H new ATOM 0 HE1 MET B 1 0.029 21.588 -5.433 1.00 63.43 H new ATOM 0 HE2 MET B 1 0.720 20.042 -5.979 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.670 20.748 -6.838 1.00 63.43 H new ATOM 1401 N ILE B 2 0.818 14.981 -4.190 1.00 28.59 N ATOM 1402 CA ILE B 2 0.783 13.947 -5.258 1.00 24.58 C ATOM 1403 C ILE B 2 0.010 14.530 -6.439 1.00 19.29 C ATOM 1404 O ILE B 2 -1.174 14.309 -6.596 1.00 19.53 O ATOM 1405 CB ILE B 2 0.085 12.691 -4.741 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.588 12.358 -3.338 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.394 11.518 -5.667 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.594 11.941 -2.476 1.00 33.80 C ATOM 0 H ILE B 2 0.317 14.743 -3.334 1.00 28.59 H new ATOM 0 HA ILE B 2 1.793 13.673 -5.563 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.990 12.869 -4.712 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.324 11.555 -3.382 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.086 13.223 -2.901 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.104 10.622 -5.298 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.037 11.744 -6.672 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.471 11.349 -5.694 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.245 11.701 -1.472 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.313 12.758 -2.425 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.072 11.064 -2.913 1.00 33.80 H new ATOM 1420 N LYS B 3 0.672 15.311 -7.244 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.011 15.964 -8.395 1.00 16.66 C ATOM 1422 C LYS B 3 -0.448 14.939 -9.439 1.00 14.94 C ATOM 1423 O LYS B 3 0.108 13.866 -9.559 1.00 13.94 O ATOM 1424 CB LYS B 3 0.942 16.969 -9.043 1.00 16.94 C ATOM 1425 CG LYS B 3 0.484 18.391 -8.715 1.00 17.85 C ATOM 1426 CD LYS B 3 1.148 19.377 -9.679 1.00 19.63 C ATOM 1427 CE LYS B 3 0.299 19.504 -10.945 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.870 18.640 -12.016 1.00 32.72 N ATOM 0 H LYS B 3 1.665 15.527 -7.154 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.901 16.470 -8.021 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.957 16.810 -8.680 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.963 16.822 -10.123 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.601 18.463 -8.795 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.745 18.640 -7.686 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.256 20.351 -9.202 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.151 19.033 -9.934 1.00 19.63 H new ATOM 0 HE2 LYS B 3 -0.730 19.211 -10.736 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.274 20.542 -11.276 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.728 19.094 -12.941 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.888 18.506 -11.849 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.393 17.716 -12.007 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.447 15.288 -10.201 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.955 14.382 -11.260 1.00 12.99 C ATOM 1444 C VAL B 4 -2.812 15.210 -12.226 1.00 14.26 C ATOM 1445 O VAL B 4 -3.122 16.353 -11.965 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.771 13.232 -10.622 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.359 13.674 -9.282 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.908 12.794 -11.557 1.00 10.41 C ATOM 0 H VAL B 4 -1.939 16.179 -10.131 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.130 13.930 -11.811 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.098 12.390 -10.459 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.930 12.854 -8.847 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.552 13.954 -8.605 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.015 14.530 -9.437 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.471 11.985 -11.091 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.572 13.638 -11.742 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.489 12.448 -12.502 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.173 14.654 -13.348 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.982 15.418 -14.332 1.00 10.51 C ATOM 1460 C GLU B 5 -4.935 14.461 -15.054 1.00 10.00 C ATOM 1461 O GLU B 5 -4.529 13.675 -15.884 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.020 16.086 -15.328 1.00 10.42 C ATOM 1463 CG GLU B 5 -3.683 16.224 -16.696 1.00 18.68 C ATOM 1464 CD GLU B 5 -3.202 17.507 -17.377 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -2.145 17.471 -17.985 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -3.900 18.503 -17.280 1.00 19.38 O ATOM 0 H GLU B 5 -2.941 13.700 -13.625 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.578 16.184 -13.835 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.727 17.069 -14.958 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.109 15.494 -15.416 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.443 15.360 -17.316 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -4.767 16.245 -16.585 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.201 14.527 -14.759 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.154 13.623 -15.462 1.00 10.60 C ATOM 1475 C ILE B 6 -7.180 14.032 -16.945 1.00 10.16 C ATOM 1476 O ILE B 6 -7.764 15.032 -17.312 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.557 13.727 -14.812 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.755 12.542 -13.862 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.656 13.692 -15.872 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.520 12.988 -12.418 1.00 13.81 C ATOM 0 H ILE B 6 -6.615 15.157 -14.072 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.841 12.582 -15.382 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.619 14.672 -14.272 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.764 12.143 -13.969 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.066 11.738 -14.120 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.630 13.767 -15.389 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.526 14.529 -16.558 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.597 12.756 -16.427 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.662 12.140 -11.748 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.503 13.365 -12.315 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.227 13.777 -12.161 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.537 13.270 -17.798 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.509 13.615 -19.244 1.00 11.59 C ATOM 1494 C LYS B 7 -7.905 14.041 -19.693 1.00 12.98 C ATOM 1495 O LYS B 7 -8.881 13.751 -19.029 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.066 12.378 -20.030 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.643 12.001 -19.628 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.667 13.072 -20.121 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.077 12.647 -21.467 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.865 13.851 -22.320 1.00 25.43 N ATOM 0 H LYS B 7 -6.030 12.421 -17.548 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.815 14.436 -19.422 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.743 11.547 -19.832 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.112 12.579 -21.100 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.575 11.904 -18.544 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.380 11.032 -20.052 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.181 14.028 -20.223 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.870 13.215 -19.392 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.132 12.126 -21.313 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.749 11.948 -21.966 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.464 13.562 -23.235 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -3.775 14.330 -22.477 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -2.208 14.502 -21.844 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.965 14.706 -20.818 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.240 15.165 -21.383 1.00 11.93 C ATOM 1516 C PRO B 8 -10.006 13.963 -21.930 1.00 10.20 C ATOM 1517 O PRO B 8 -11.181 14.039 -22.229 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.823 16.141 -22.487 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.366 15.782 -22.855 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.780 15.047 -21.635 1.00 13.61 C ATOM 0 HA PRO B 8 -9.903 15.645 -20.663 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.477 16.050 -23.354 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.894 17.172 -22.142 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.334 15.150 -23.742 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.790 16.679 -23.082 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.231 14.154 -21.933 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.084 15.680 -21.084 1.00 13.61 H new ATOM 1528 N SER B 9 -9.345 12.843 -22.035 1.00 10.65 N ATOM 1529 CA SER B 9 -10.024 11.617 -22.529 1.00 10.83 C ATOM 1530 C SER B 9 -10.351 10.718 -21.331 1.00 10.94 C ATOM 1531 O SER B 9 -10.787 9.594 -21.486 1.00 13.16 O ATOM 1532 CB SER B 9 -9.099 10.872 -23.493 1.00 13.01 C ATOM 1533 OG SER B 9 -9.741 9.683 -23.935 1.00 15.52 O ATOM 0 H SER B 9 -8.360 12.726 -21.798 1.00 10.65 H new ATOM 0 HA SER B 9 -10.942 11.886 -23.052 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.856 11.506 -24.345 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.159 10.629 -22.998 1.00 13.01 H new ATOM 0 HG SER B 9 -10.335 9.350 -23.230 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.143 11.208 -20.134 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.437 10.391 -18.926 1.00 11.55 C ATOM 1541 C GLN B 10 -11.363 11.179 -17.997 1.00 13.72 C ATOM 1542 O GLN B 10 -11.229 11.133 -16.791 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.136 10.083 -18.187 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.054 9.710 -19.197 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.226 8.250 -19.619 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.328 7.738 -19.643 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.176 7.553 -19.957 1.00 4.80 N ATOM 0 H GLN B 10 -9.781 12.143 -19.945 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.917 9.460 -19.227 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.822 10.949 -17.605 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.290 9.265 -17.483 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -8.117 10.361 -20.069 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -7.067 9.858 -18.759 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.251 7.982 -19.937 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.280 6.579 -20.241 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.290 11.916 -18.544 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.206 12.717 -17.681 1.00 18.95 C ATOM 1558 C ALA B 11 -14.536 11.981 -17.497 1.00 20.75 C ATOM 1559 O ALA B 11 -15.519 12.557 -17.077 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.465 14.074 -18.336 1.00 17.72 C ATOM 0 H ALA B 11 -12.453 11.999 -19.547 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.740 12.860 -16.706 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.134 14.660 -17.706 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.521 14.606 -18.456 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.924 13.925 -19.313 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.578 10.715 -17.804 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.843 9.954 -17.642 1.00 25.43 C ATOM 1568 C GLN B 12 -15.525 8.595 -17.002 1.00 22.80 C ATOM 1569 O GLN B 12 -14.507 7.993 -17.280 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.488 9.772 -19.029 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.137 8.391 -19.143 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.202 8.410 -20.242 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.941 9.366 -20.372 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -18.313 7.386 -21.045 1.00 47.90 N ATOM 0 H GLN B 12 -13.789 10.176 -18.160 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.540 10.488 -16.997 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -17.237 10.547 -19.192 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.733 9.890 -19.806 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.380 7.640 -19.370 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.588 8.111 -18.191 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -17.693 6.583 -20.937 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.020 7.389 -21.781 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.388 8.105 -16.153 1.00 21.61 N ATOM 1584 CA PHE B 13 -16.131 6.791 -15.513 1.00 20.51 C ATOM 1585 C PHE B 13 -16.819 5.696 -16.326 1.00 18.83 C ATOM 1586 O PHE B 13 -17.701 5.960 -17.118 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.707 6.801 -14.102 1.00 19.56 C ATOM 1588 CG PHE B 13 -18.167 7.170 -14.188 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -19.114 6.201 -14.534 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -18.573 8.487 -13.934 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -20.466 6.547 -14.625 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -19.923 8.832 -14.024 1.00 20.75 C ATOM 1593 CZ PHE B 13 -20.869 7.864 -14.369 1.00 18.48 C ATOM 0 H PHE B 13 -17.258 8.560 -15.878 1.00 21.61 H new ATOM 0 HA PHE B 13 -15.058 6.603 -15.473 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.590 5.822 -13.637 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -16.171 7.516 -13.478 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.802 5.186 -14.731 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -17.841 9.236 -13.668 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -21.198 5.800 -14.892 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -20.236 9.847 -13.827 1.00 20.75 H new ATOM 0 HZ PHE B 13 -21.913 8.131 -14.439 1.00 18.48 H new ATOM 1603 N THR B 14 -16.431 4.470 -16.131 1.00 14.89 N ATOM 1604 CA THR B 14 -17.072 3.363 -16.888 1.00 13.37 C ATOM 1605 C THR B 14 -17.188 2.135 -15.988 1.00 11.97 C ATOM 1606 O THR B 14 -16.354 1.894 -15.138 1.00 10.76 O ATOM 1607 CB THR B 14 -16.222 3.014 -18.110 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.064 4.170 -18.922 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.911 1.912 -18.913 1.00 9.24 C ATOM 0 H THR B 14 -15.698 4.186 -15.481 1.00 14.89 H new ATOM 0 HA THR B 14 -18.064 3.676 -17.214 1.00 13.37 H new ATOM 0 HB THR B 14 -15.242 2.664 -17.785 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.518 3.948 -19.705 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.305 1.663 -19.784 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.029 1.026 -18.289 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.891 2.259 -19.240 1.00 9.24 H new ATOM 1617 N THR B 15 -18.214 1.355 -16.171 1.00 13.20 N ATOM 1618 CA THR B 15 -18.381 0.140 -15.331 1.00 12.54 C ATOM 1619 C THR B 15 -17.713 -1.045 -16.028 1.00 14.34 C ATOM 1620 O THR B 15 -18.168 -1.511 -17.053 1.00 17.35 O ATOM 1621 CB THR B 15 -19.871 -0.151 -15.145 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.610 1.052 -15.296 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.104 -0.726 -13.749 1.00 8.30 C ATOM 0 H THR B 15 -18.945 1.507 -16.866 1.00 13.20 H new ATOM 0 HA THR B 15 -17.921 0.301 -14.356 1.00 12.54 H new ATOM 0 HB THR B 15 -20.200 -0.872 -15.893 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.303 1.709 -14.637 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.165 -0.934 -13.614 1.00 8.30 H new ATOM 0 HG22 THR B 15 -19.536 -1.649 -13.636 1.00 8.30 H new ATOM 0 HG23 THR B 15 -19.777 -0.005 -12.999 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.737 -1.494 -10.505 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.360 -0.154 -10.308 1.00 16.31 C ATOM 1818 C LEU B 28 -17.733 0.869 -11.260 1.00 14.21 C ATOM 1819 O LEU B 28 -16.662 0.663 -11.797 1.00 16.97 O ATOM 1820 CB LEU B 28 -18.143 0.294 -8.864 1.00 16.48 C ATOM 1821 CG LEU B 28 -19.497 0.495 -8.181 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -19.465 -0.137 -6.787 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -19.787 1.993 -8.056 1.00 22.01 C ATOM 0 HA LEU B 28 -19.427 -0.223 -10.519 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.559 -0.452 -8.325 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.572 1.222 -8.842 1.00 16.48 H new ATOM 0 HG LEU B 28 -20.278 0.022 -8.776 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -20.430 0.006 -6.300 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.258 -1.204 -6.876 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -18.684 0.336 -6.191 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -20.752 2.137 -7.569 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -19.006 2.466 -7.461 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -19.810 2.443 -9.048 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.399 1.974 -11.467 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.861 3.026 -12.378 1.00 9.77 C ATOM 1837 C ASN B 29 -16.411 3.347 -12.003 1.00 7.94 C ATOM 1838 O ASN B 29 -16.133 3.844 -10.930 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.706 4.291 -12.233 1.00 14.73 C ATOM 1840 CG ASN B 29 -20.052 4.096 -12.929 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.201 3.220 -13.757 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -21.048 4.884 -12.624 1.00 12.89 N ATOM 0 H ASN B 29 -19.299 2.194 -11.041 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.897 2.666 -13.406 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.861 4.517 -11.178 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.181 5.142 -12.668 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.952 4.764 -13.081 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.922 5.619 -11.929 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.485 3.078 -12.883 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.055 3.380 -12.579 1.00 13.16 C ATOM 1851 C GLU B 30 -13.554 4.451 -13.553 1.00 12.26 C ATOM 1852 O GLU B 30 -14.016 4.544 -14.673 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.217 2.110 -12.745 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.344 1.244 -11.490 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.508 -0.025 -11.660 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -12.322 -0.442 -12.792 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -12.067 -0.560 -10.656 1.00 40.03 O ATOM 0 H GLU B 30 -15.656 2.663 -13.799 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.965 3.740 -11.554 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.553 1.552 -13.619 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.172 2.371 -12.915 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.006 1.800 -10.616 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.389 0.984 -11.319 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.614 5.261 -13.143 1.00 10.34 N ATOM 1865 CA GLN B 31 -12.099 6.319 -14.061 1.00 9.46 C ATOM 1866 C GLN B 31 -10.578 6.210 -14.177 1.00 10.09 C ATOM 1867 O GLN B 31 -9.972 5.269 -13.705 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.464 7.704 -13.514 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.920 8.612 -14.661 1.00 10.62 C ATOM 1870 CD GLN B 31 -12.013 9.842 -14.723 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.806 9.719 -14.791 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.545 11.034 -14.701 1.00 12.39 N ATOM 0 H GLN B 31 -12.183 5.237 -12.219 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.550 6.184 -15.044 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.257 7.614 -12.772 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.604 8.144 -13.010 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.882 8.070 -15.606 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.955 8.917 -14.509 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.558 11.139 -14.644 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.948 11.860 -14.741 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.960 7.170 -14.810 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.480 7.135 -14.969 1.00 10.34 C ATOM 1883 C LEU B 32 -7.884 8.463 -14.490 1.00 9.02 C ATOM 1884 O LEU B 32 -8.598 9.371 -14.113 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.144 6.924 -16.445 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.304 5.446 -16.798 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.060 5.250 -18.296 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.290 4.619 -16.003 1.00 15.89 C ATOM 0 H LEU B 32 -10.420 7.980 -15.225 1.00 6.80 H new ATOM 0 HA LEU B 32 -8.063 6.320 -14.377 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.800 7.531 -17.069 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.123 7.249 -16.647 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.314 5.120 -16.549 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.174 4.196 -18.548 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -8.782 5.839 -18.862 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.050 5.576 -18.546 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.404 3.564 -16.254 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.280 4.945 -16.252 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -7.464 4.758 -14.936 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.583 8.587 -14.500 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.951 9.853 -14.045 1.00 8.10 C ATOM 1902 C CYS B 33 -4.459 9.793 -14.368 1.00 6.34 C ATOM 1903 O CYS B 33 -3.897 8.729 -14.527 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.135 10.042 -12.530 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.721 8.512 -11.749 1.00 13.84 S ATOM 0 H CYS B 33 -5.932 7.863 -14.805 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.423 10.692 -14.556 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.189 10.345 -12.080 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.848 10.845 -12.344 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.226 7.487 -12.377 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.810 10.918 -14.461 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.354 10.908 -14.771 1.00 7.08 C ATOM 1913 C TYR B 34 -1.597 11.441 -13.563 1.00 7.71 C ATOM 1914 O TYR B 34 -1.562 12.630 -13.324 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.074 11.818 -15.963 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.186 11.054 -17.260 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -3.093 10.002 -17.393 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -1.376 11.426 -18.343 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -3.188 9.318 -18.611 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.472 10.744 -19.553 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.375 9.691 -19.687 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.470 9.015 -20.887 1.00 21.14 O ATOM 0 H TYR B 34 -4.223 11.842 -14.336 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.037 9.892 -15.006 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.778 12.650 -15.964 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.075 12.246 -15.873 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.719 9.717 -16.560 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.677 12.243 -18.238 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.888 8.503 -18.720 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.848 11.031 -20.386 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.838 9.399 -21.530 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.999 10.584 -12.792 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.261 11.075 -11.600 1.00 10.66 C ATOM 1934 C VAL B 35 1.238 11.082 -11.872 1.00 10.57 C ATOM 1935 O VAL B 35 1.877 10.050 -11.898 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.553 10.174 -10.401 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.104 10.769 -9.152 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.066 10.084 -10.188 1.00 9.86 C ATOM 0 H VAL B 35 -0.988 9.574 -12.932 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.590 12.091 -11.382 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.153 9.177 -10.585 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.101 10.130 -8.293 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.181 10.837 -9.305 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.300 11.765 -8.968 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.275 9.441 -9.333 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.467 11.080 -10.000 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.535 9.666 -11.079 1.00 9.86 H new ATOM 1948 N ASP B 36 1.815 12.239 -12.056 1.00 8.58 N ATOM 1949 CA ASP B 36 3.270 12.293 -12.290 1.00 11.48 C ATOM 1950 C ASP B 36 3.949 11.712 -11.057 1.00 12.38 C ATOM 1951 O ASP B 36 4.918 10.986 -11.149 1.00 11.89 O ATOM 1952 CB ASP B 36 3.713 13.743 -12.496 1.00 16.17 C ATOM 1953 CG ASP B 36 3.311 14.207 -13.897 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.129 14.170 -14.196 1.00 25.89 O ATOM 1955 OD2 ASP B 36 4.193 14.591 -14.648 1.00 15.67 O ATOM 0 H ASP B 36 1.337 13.140 -12.053 1.00 8.58 H new ATOM 0 HA ASP B 36 3.539 11.727 -13.182 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.254 14.385 -11.744 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.793 13.826 -12.370 1.00 16.17 H new ATOM 1960 N LEU B 37 3.419 12.020 -9.901 1.00 13.17 N ATOM 1961 CA LEU B 37 3.989 11.488 -8.635 1.00 18.47 C ATOM 1962 C LEU B 37 5.408 12.016 -8.460 1.00 21.14 C ATOM 1963 O LEU B 37 5.686 12.826 -7.598 1.00 24.24 O ATOM 1964 CB LEU B 37 4.008 9.961 -8.705 1.00 15.81 C ATOM 1965 CG LEU B 37 4.737 9.396 -7.491 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.130 8.040 -7.134 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.221 9.223 -7.824 1.00 20.01 C ATOM 0 H LEU B 37 2.606 12.625 -9.783 1.00 13.17 H new ATOM 0 HA LEU B 37 3.382 11.807 -7.788 1.00 18.47 H new ATOM 0 HB2 LEU B 37 2.988 9.577 -8.739 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.502 9.636 -9.621 1.00 15.81 H new ATOM 0 HG LEU B 37 4.635 10.078 -6.647 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.645 7.628 -6.266 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.072 8.164 -6.903 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.239 7.359 -7.978 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.744 8.819 -6.957 1.00 20.01 H new ATOM 0 HD22 LEU B 37 6.328 8.537 -8.664 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.650 10.190 -8.088 1.00 20.01 H new ATOM 1979 N GLY B 38 6.302 11.562 -9.279 1.00 20.70 N ATOM 1980 CA GLY B 38 7.705 12.020 -9.191 1.00 23.91 C ATOM 1981 C GLY B 38 8.514 11.345 -10.301 1.00 26.50 C ATOM 1982 O GLY B 38 9.615 10.879 -10.085 1.00 31.02 O ATOM 0 H GLY B 38 6.117 10.883 -10.017 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.755 13.104 -9.293 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.123 11.772 -8.215 1.00 23.91 H new ATOM 1986 N ASN B 39 7.968 11.275 -11.489 1.00 27.64 N ATOM 1987 CA ASN B 39 8.696 10.615 -12.606 1.00 30.27 C ATOM 1988 C ASN B 39 8.821 11.573 -13.797 1.00 26.79 C ATOM 1989 O ASN B 39 8.913 11.155 -14.934 1.00 26.87 O ATOM 1990 CB ASN B 39 7.937 9.356 -13.042 1.00 35.62 C ATOM 1991 CG ASN B 39 7.162 8.775 -11.854 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.589 8.891 -10.722 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.033 8.152 -12.065 1.00 39.63 N ATOM 0 H ASN B 39 7.050 11.647 -11.730 1.00 27.64 H new ATOM 0 HA ASN B 39 9.694 10.342 -12.263 1.00 30.27 H new ATOM 0 HB2 ASN B 39 7.249 9.598 -13.852 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.637 8.615 -13.428 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.511 7.763 -11.280 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.674 8.054 -13.015 1.00 39.63 H new ATOM 2000 N GLU B 40 8.832 12.852 -13.544 1.00 25.15 N ATOM 2001 CA GLU B 40 8.961 13.840 -14.659 1.00 23.81 C ATOM 2002 C GLU B 40 7.969 13.507 -15.781 1.00 21.12 C ATOM 2003 O GLU B 40 8.137 13.921 -16.910 1.00 19.86 O ATOM 2004 CB GLU B 40 10.386 13.795 -15.214 1.00 27.22 C ATOM 2005 CG GLU B 40 11.259 14.801 -14.461 1.00 34.87 C ATOM 2006 CD GLU B 40 11.416 16.070 -15.300 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.306 15.974 -16.511 1.00 42.34 O ATOM 2008 OE2 GLU B 40 11.643 17.118 -14.717 1.00 39.54 O ATOM 0 H GLU B 40 8.757 13.260 -12.612 1.00 25.15 H new ATOM 0 HA GLU B 40 8.743 14.837 -14.276 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.797 12.791 -15.109 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.380 14.028 -16.279 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.807 15.042 -13.499 1.00 34.87 H new ATOM 0 HG3 GLU B 40 12.237 14.366 -14.254 1.00 34.87 H new ATOM 2015 N HIS B 41 6.935 12.773 -15.476 1.00 4.82 N ATOM 2016 CA HIS B 41 5.926 12.416 -16.516 1.00 4.41 C ATOM 2017 C HIS B 41 4.673 11.904 -15.809 1.00 3.39 C ATOM 2018 O HIS B 41 4.766 11.368 -14.725 1.00 2.52 O ATOM 2019 CB HIS B 41 6.484 11.317 -17.424 1.00 4.81 C ATOM 2020 CG HIS B 41 7.502 11.905 -18.362 1.00 4.35 C ATOM 2021 ND1 HIS B 41 8.858 11.911 -18.073 1.00 4.61 N ATOM 2022 CD2 HIS B 41 7.377 12.508 -19.588 1.00 5.15 C ATOM 2023 CE1 HIS B 41 9.489 12.501 -19.104 1.00 5.81 C ATOM 2024 NE2 HIS B 41 8.633 12.884 -20.056 1.00 6.56 N ATOM 0 H HIS B 41 6.743 12.402 -14.545 1.00 4.82 H new ATOM 0 HA HIS B 41 5.690 13.289 -17.124 1.00 4.41 H new ATOM 0 HB2 HIS B 41 6.941 10.531 -16.822 1.00 4.81 H new ATOM 0 HB3 HIS B 41 5.676 10.855 -17.991 1.00 4.81 H new ATOM 0 HD1 HIS B 41 9.297 11.536 -17.232 1.00 4.61 H new ATOM 0 HD2 HIS B 41 6.445 12.667 -20.111 1.00 5.15 H new ATOM 0 HE1 HIS B 41 10.558 12.647 -19.156 1.00 5.81 H new ATOM 2032 N PRO B 42 3.538 12.087 -16.431 1.00 15.11 N ATOM 2033 CA PRO B 42 2.254 11.655 -15.859 1.00 16.08 C ATOM 2034 C PRO B 42 2.077 10.151 -15.991 1.00 17.92 C ATOM 2035 O PRO B 42 2.464 9.552 -16.975 1.00 17.13 O ATOM 2036 CB PRO B 42 1.211 12.366 -16.712 1.00 16.41 C ATOM 2037 CG PRO B 42 1.905 12.703 -18.050 1.00 13.79 C ATOM 2038 CD PRO B 42 3.423 12.724 -17.760 1.00 16.28 C ATOM 0 HA PRO B 42 2.180 11.890 -14.797 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.341 11.729 -16.874 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.856 13.271 -16.219 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.665 11.960 -18.810 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.569 13.668 -18.430 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.982 12.174 -18.517 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.814 13.741 -17.751 1.00 16.28 H new ATOM 2046 N VAL B 43 1.475 9.538 -15.019 1.00 16.29 N ATOM 2047 CA VAL B 43 1.254 8.080 -15.106 1.00 14.28 C ATOM 2048 C VAL B 43 -0.242 7.802 -15.100 1.00 9.00 C ATOM 2049 O VAL B 43 -0.945 8.122 -14.163 1.00 7.99 O ATOM 2050 CB VAL B 43 1.914 7.389 -13.917 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.351 7.890 -13.767 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.125 7.707 -12.643 1.00 20.57 C ATOM 0 H VAL B 43 1.128 9.984 -14.170 1.00 16.29 H new ATOM 0 HA VAL B 43 1.692 7.696 -16.027 1.00 14.28 H new ATOM 0 HB VAL B 43 1.923 6.311 -14.081 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.822 7.396 -12.917 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.912 7.664 -14.674 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.345 8.968 -13.603 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.595 7.214 -11.792 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.117 8.785 -12.479 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.101 7.349 -12.750 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.731 7.210 -16.147 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.178 6.910 -16.216 1.00 11.55 C ATOM 2064 C LEU B 44 -2.516 5.829 -15.194 1.00 10.61 C ATOM 2065 O LEU B 44 -2.127 4.685 -15.326 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.516 6.429 -17.619 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.980 6.009 -17.673 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.857 7.128 -17.107 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.374 5.734 -19.125 1.00 20.21 C ATOM 0 H LEU B 44 -0.187 6.921 -16.960 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.759 7.804 -15.992 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.327 7.222 -18.342 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.876 5.590 -17.892 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.122 5.106 -17.079 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.903 6.825 -17.147 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.575 7.324 -16.073 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.718 8.033 -17.698 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.421 5.433 -19.167 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.232 6.637 -19.718 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.751 4.935 -19.526 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.231 6.190 -14.169 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.595 5.198 -13.122 1.00 9.29 C ATOM 2083 C VAL B 45 -5.110 5.033 -13.081 1.00 9.95 C ATOM 2084 O VAL B 45 -5.846 5.806 -13.663 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.088 5.689 -11.770 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.807 4.954 -10.632 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.584 5.424 -11.674 1.00 10.20 C ATOM 0 H VAL B 45 -3.581 7.135 -14.010 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.139 4.235 -13.351 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.287 6.757 -11.680 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.435 5.315 -9.673 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.879 5.140 -10.698 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.619 3.883 -10.714 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.214 5.772 -10.710 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.396 4.355 -11.770 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.069 5.956 -12.474 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.581 4.027 -12.402 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.046 3.811 -12.331 1.00 12.81 C ATOM 2099 C LYS B 46 -7.630 4.542 -11.120 1.00 13.35 C ATOM 2100 O LYS B 46 -6.927 4.909 -10.200 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.338 2.314 -12.212 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.418 1.922 -13.222 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.773 1.668 -14.586 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.640 0.162 -14.815 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.994 -0.462 -14.818 1.00 36.74 N ATOM 0 H LYS B 46 -5.014 3.347 -11.895 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.505 4.203 -13.238 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.429 1.740 -12.394 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.668 2.076 -11.201 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.941 1.028 -12.883 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -9.162 2.715 -13.301 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.378 2.114 -15.375 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.792 2.141 -14.630 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.138 -0.029 -15.763 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.025 -0.283 -14.033 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -9.029 -1.213 -15.537 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -9.190 -0.870 -13.882 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.709 0.261 -15.038 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.920 4.747 -11.117 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.571 5.444 -9.976 1.00 16.93 C ATOM 2121 C ILE B 47 -11.021 4.956 -9.864 1.00 16.52 C ATOM 2122 O ILE B 47 -11.569 4.401 -10.795 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.525 6.965 -10.211 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.517 7.693 -8.867 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.743 7.423 -11.018 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -8.316 8.634 -8.803 1.00 18.26 C ATOM 0 H ILE B 47 -9.553 4.458 -11.863 1.00 13.96 H new ATOM 0 HA ILE B 47 -9.047 5.223 -9.046 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.619 7.200 -10.769 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.441 8.257 -8.742 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.471 6.972 -8.051 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.692 8.501 -11.174 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.751 6.917 -11.983 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.654 7.178 -10.472 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.311 9.153 -7.844 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.397 8.058 -8.909 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.382 9.364 -9.610 1.00 18.26 H new ATOM 2138 N THR B 48 -11.647 5.152 -8.737 1.00 16.86 N ATOM 2139 CA THR B 48 -13.055 4.690 -8.586 1.00 16.59 C ATOM 2140 C THR B 48 -14.010 5.868 -8.781 1.00 19.04 C ATOM 2141 O THR B 48 -13.674 7.006 -8.520 1.00 22.56 O ATOM 2142 CB THR B 48 -13.254 4.101 -7.189 1.00 16.30 C ATOM 2143 OG1 THR B 48 -12.011 3.619 -6.697 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.260 2.952 -7.255 1.00 16.02 C ATOM 0 H THR B 48 -11.247 5.610 -7.918 1.00 16.86 H new ATOM 0 HA THR B 48 -13.264 3.928 -9.337 1.00 16.59 H new ATOM 0 HB THR B 48 -13.634 4.874 -6.520 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.482 4.369 -6.353 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.400 2.534 -6.258 1.00 16.02 H new ATOM 0 HG22 THR B 48 -15.213 3.324 -7.630 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.885 2.178 -7.924 1.00 16.02 H new ATOM 2152 N LEU B 49 -15.201 5.600 -9.239 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.187 6.690 -9.457 1.00 18.82 C ATOM 2154 C LEU B 49 -17.539 6.262 -8.880 1.00 20.06 C ATOM 2155 O LEU B 49 -18.320 5.603 -9.535 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.320 6.944 -10.964 1.00 18.79 C ATOM 2157 CG LEU B 49 -17.274 8.112 -11.237 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.718 7.602 -11.277 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -17.141 9.179 -10.145 1.00 14.50 C ATOM 0 H LEU B 49 -15.534 4.665 -9.473 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.857 7.604 -8.962 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.340 7.162 -11.388 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.688 6.045 -11.458 1.00 18.79 H new ATOM 0 HG LEU B 49 -17.015 8.555 -12.198 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -19.393 8.436 -11.471 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.820 6.860 -12.069 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.970 7.147 -10.319 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -17.825 10.001 -10.354 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -17.385 8.741 -9.177 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -16.118 9.555 -10.126 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.821 6.616 -7.656 1.00 22.62 N ATOM 2172 CA ASP B 50 -19.122 6.208 -7.053 1.00 27.04 C ATOM 2173 C ASP B 50 -19.521 7.188 -5.947 1.00 27.73 C ATOM 2174 O ASP B 50 -18.780 8.083 -5.595 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.987 4.805 -6.459 1.00 29.11 C ATOM 2176 CG ASP B 50 -17.615 4.660 -5.800 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.119 5.649 -5.285 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -17.082 3.563 -5.820 1.00 33.99 O ATOM 0 H ASP B 50 -17.212 7.166 -7.051 1.00 22.62 H new ATOM 0 HA ASP B 50 -19.889 6.212 -7.827 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -19.775 4.632 -5.726 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.108 4.055 -7.240 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.693 7.018 -5.398 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.159 7.927 -4.314 1.00 34.22 C ATOM 2185 C GLU B 51 -21.527 9.288 -4.902 1.00 34.98 C ATOM 2186 O GLU B 51 -20.826 10.264 -4.721 1.00 34.19 O ATOM 2187 CB GLU B 51 -20.055 8.101 -3.275 1.00 38.24 C ATOM 2188 CG GLU B 51 -20.694 8.202 -1.892 1.00 46.84 C ATOM 2189 CD GLU B 51 -19.602 8.268 -0.823 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -18.440 8.187 -1.186 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -19.945 8.398 0.340 1.00 54.92 O ATOM 0 H GLU B 51 -21.352 6.283 -5.656 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.037 7.491 -3.837 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -19.366 7.258 -3.312 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -19.473 8.998 -3.489 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -21.325 9.089 -1.836 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -21.338 7.341 -1.715 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.632 9.352 -5.595 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.083 10.643 -6.205 1.00 34.93 C ATOM 2200 C GLY B 52 -21.877 11.447 -6.697 1.00 36.10 C ATOM 2201 O GLY B 52 -21.896 12.661 -6.710 1.00 35.97 O ATOM 0 H GLY B 52 -23.250 8.559 -5.768 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.760 10.444 -7.036 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.642 11.224 -5.471 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.824 10.785 -7.093 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.623 11.524 -7.570 1.00 35.40 C ATOM 2207 C GLN B 53 -19.495 11.394 -9.093 1.00 31.02 C ATOM 2208 O GLN B 53 -19.563 10.303 -9.624 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.375 10.938 -6.910 1.00 41.20 C ATOM 2210 CG GLN B 53 -17.942 11.844 -5.759 1.00 47.61 C ATOM 2211 CD GLN B 53 -16.521 11.479 -5.327 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -15.758 12.334 -4.923 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.131 10.235 -5.396 1.00 54.76 N ATOM 0 H GLN B 53 -20.744 9.768 -7.107 1.00 36.52 H new ATOM 0 HA GLN B 53 -19.725 12.577 -7.307 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.582 9.934 -6.540 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.571 10.849 -7.640 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -17.982 12.888 -6.070 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -18.628 11.735 -4.919 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.772 9.518 -5.735 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.185 9.980 -5.111 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.302 12.511 -9.754 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.147 12.548 -11.217 1.00 23.44 C ATOM 2224 C PRO B 54 -17.718 12.155 -11.602 1.00 20.14 C ATOM 2225 O PRO B 54 -16.770 12.504 -10.927 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.424 14.006 -11.575 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.160 14.824 -10.292 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.223 13.837 -9.112 1.00 28.37 C ATOM 0 HA PRO B 54 -19.810 11.857 -11.738 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.777 14.337 -12.387 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.452 14.135 -11.914 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.185 15.310 -10.337 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.904 15.612 -10.176 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.342 13.920 -8.476 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.091 14.026 -8.480 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.555 11.426 -12.672 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.188 11.007 -13.091 1.00 15.58 C ATOM 2238 C ALA B 55 -15.206 12.171 -12.918 1.00 16.41 C ATOM 2239 O ALA B 55 -15.529 13.313 -13.177 1.00 13.65 O ATOM 2240 CB ALA B 55 -16.220 10.584 -14.560 1.00 13.98 C ATOM 0 H ALA B 55 -18.311 11.102 -13.275 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.862 10.171 -12.471 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -15.222 10.276 -14.872 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.912 9.751 -14.684 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.549 11.423 -15.173 1.00 13.98 H new ATOM 2246 N TYR B 56 -14.007 11.886 -12.483 1.00 15.93 N ATOM 2247 CA TYR B 56 -13.001 12.971 -12.296 1.00 14.61 C ATOM 2248 C TYR B 56 -12.993 13.866 -13.537 1.00 15.51 C ATOM 2249 O TYR B 56 -12.373 13.557 -14.535 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.612 12.352 -12.084 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.600 11.598 -10.768 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.114 10.298 -10.705 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -11.096 12.209 -9.614 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -12.121 9.607 -9.491 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -11.105 11.518 -8.397 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.616 10.217 -8.335 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.625 9.536 -7.135 1.00 12.03 O ATOM 0 H TYR B 56 -13.681 10.948 -12.249 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.259 13.569 -11.422 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.371 11.678 -12.906 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.850 13.131 -12.078 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.505 9.829 -11.595 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.701 13.213 -9.663 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.516 8.603 -9.443 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.718 11.989 -7.506 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.238 10.102 -6.435 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.688 14.970 -13.485 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.734 15.884 -14.662 1.00 14.95 C ATOM 2269 C ALA B 57 -12.313 16.148 -15.170 1.00 15.46 C ATOM 2270 O ALA B 57 -11.351 15.709 -14.573 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.381 17.209 -14.253 1.00 14.98 C ATOM 0 H ALA B 57 -14.227 15.279 -12.676 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.320 15.419 -15.455 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.415 17.878 -15.113 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.394 17.024 -13.897 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.795 17.670 -13.458 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.230 16.866 -16.262 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.942 17.217 -16.887 1.00 16.55 C ATOM 2279 C PRO B 58 -10.278 18.362 -16.120 1.00 16.75 C ATOM 2280 O PRO B 58 -10.806 19.454 -16.035 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.336 17.658 -18.299 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.824 18.073 -18.228 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.411 17.394 -16.976 1.00 13.96 C ATOM 0 HA PRO B 58 -10.225 16.396 -16.890 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.716 18.490 -18.633 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.193 16.847 -19.013 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.921 19.157 -18.163 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.357 17.759 -19.125 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.964 18.104 -16.361 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -14.104 16.596 -17.244 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.126 18.122 -15.557 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.435 19.197 -14.794 1.00 15.08 C ATOM 2293 C GLY B 59 -7.243 18.605 -14.042 1.00 14.96 C ATOM 2294 O GLY B 59 -7.075 17.406 -13.982 1.00 13.79 O ATOM 0 H GLY B 59 -8.634 17.229 -15.593 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.097 19.980 -15.473 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.127 19.661 -14.092 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.416 19.434 -13.461 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.247 18.910 -12.704 1.00 14.53 C ATOM 2300 C LEU B 60 -5.746 18.283 -11.405 1.00 14.15 C ATOM 2301 O LEU B 60 -6.722 18.727 -10.839 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.288 20.056 -12.387 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.198 20.099 -13.453 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.786 20.627 -14.764 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.064 21.019 -12.993 1.00 15.01 C ATOM 0 H LEU B 60 -6.502 20.450 -13.479 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.723 18.162 -13.299 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.828 21.003 -12.362 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.845 19.915 -11.401 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.806 19.094 -13.610 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -3.007 20.658 -15.526 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.590 19.969 -15.093 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -4.180 21.631 -14.608 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.287 21.048 -13.756 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.453 22.024 -12.833 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.644 20.640 -12.061 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.101 17.254 -10.925 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.576 16.621 -9.668 1.00 9.57 C ATOM 2319 C TYR B 61 -4.438 16.409 -8.690 1.00 11.76 C ATOM 2320 O TYR B 61 -3.273 16.402 -9.034 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.211 15.267 -9.968 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.620 15.493 -10.427 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.861 15.947 -11.723 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.682 15.273 -9.544 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -9.170 16.184 -12.143 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.992 15.507 -9.963 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.234 15.964 -11.261 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.529 16.196 -11.683 1.00 14.61 O ATOM 0 H TYR B 61 -4.274 16.830 -11.346 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.309 17.294 -9.223 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.642 14.744 -10.736 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.199 14.638 -9.078 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.036 16.115 -12.400 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.489 14.923 -8.541 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.362 16.536 -13.146 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.816 15.335 -9.286 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.578 16.098 -12.657 1.00 14.61 H new ATOM 2338 N THR B 62 -4.804 16.189 -7.470 1.00 12.22 N ATOM 2339 CA THR B 62 -3.824 15.915 -6.407 1.00 14.26 C ATOM 2340 C THR B 62 -4.461 14.865 -5.527 1.00 15.40 C ATOM 2341 O THR B 62 -5.529 15.064 -4.981 1.00 16.24 O ATOM 2342 CB THR B 62 -3.543 17.170 -5.593 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.658 17.456 -4.761 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.291 18.339 -6.539 1.00 11.61 C ATOM 0 H THR B 62 -5.775 16.188 -7.158 1.00 12.22 H new ATOM 0 HA THR B 62 -2.873 15.582 -6.823 1.00 14.26 H new ATOM 0 HB THR B 62 -2.663 17.013 -4.970 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.476 18.263 -4.236 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.089 19.240 -5.959 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.433 18.116 -7.173 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.171 18.499 -7.163 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.854 13.739 -5.413 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.479 12.680 -4.597 1.00 15.17 C ATOM 2354 C VAL B 63 -4.816 13.240 -3.223 1.00 14.24 C ATOM 2355 O VAL B 63 -4.386 14.313 -2.851 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.546 11.489 -4.477 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.368 10.263 -4.099 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.857 11.249 -5.825 1.00 18.64 C ATOM 0 H VAL B 63 -2.960 13.501 -5.843 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.396 12.342 -5.079 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.790 11.678 -3.715 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.711 9.398 -4.009 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.868 10.440 -3.147 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.114 10.073 -4.871 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.186 10.394 -5.743 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.609 11.048 -6.588 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.285 12.134 -6.104 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.599 12.527 -2.476 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.991 13.017 -1.130 1.00 10.78 C ATOM 2370 C HIS B 64 -5.734 11.917 -0.099 1.00 14.19 C ATOM 2371 O HIS B 64 -6.167 10.789 -0.263 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.481 13.373 -1.143 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.773 14.408 -0.089 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.129 14.421 1.137 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.661 15.456 -0.056 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.636 15.436 1.854 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.573 16.103 1.174 1.00 20.65 N ATOM 0 H HIS B 64 -5.988 11.621 -2.738 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.407 13.900 -0.870 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.764 13.752 -2.125 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.078 12.479 -0.962 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.325 15.735 -0.861 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.325 15.683 2.858 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.109 16.912 1.488 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.038 12.234 0.964 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.758 11.211 2.006 1.00 14.44 C ATOM 2387 C LEU B 65 -6.048 10.877 2.762 1.00 12.66 C ATOM 2388 O LEU B 65 -6.061 10.033 3.636 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.688 11.736 2.975 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.318 12.641 4.019 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.205 11.979 5.395 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.599 13.990 4.038 1.00 19.03 C ATOM 0 H LEU B 65 -4.653 13.160 1.151 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.385 10.303 1.532 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.189 10.899 3.463 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.925 12.284 2.422 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.368 12.801 3.774 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.656 12.625 6.148 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.724 11.021 5.381 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.154 11.819 5.637 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.055 14.635 4.789 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.547 13.838 4.281 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.681 14.460 3.058 1.00 19.03 H new ATOM 2404 N SER B 66 -7.142 11.514 2.422 1.00 13.51 N ATOM 2405 CA SER B 66 -8.414 11.199 3.115 1.00 10.39 C ATOM 2406 C SER B 66 -8.669 9.703 2.951 1.00 8.56 C ATOM 2407 O SER B 66 -9.431 9.100 3.679 1.00 11.70 O ATOM 2408 CB SER B 66 -9.557 11.990 2.476 1.00 12.88 C ATOM 2409 OG SER B 66 -10.177 11.194 1.475 1.00 14.72 O ATOM 0 H SER B 66 -7.202 12.232 1.700 1.00 13.51 H new ATOM 0 HA SER B 66 -8.354 11.465 4.170 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.286 12.274 3.234 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.176 12.913 2.039 1.00 12.88 H new ATOM 0 HG SER B 66 -10.911 11.697 1.065 1.00 14.72 H new ATOM 2415 N SER B 67 -8.023 9.107 1.982 1.00 7.98 N ATOM 2416 CA SER B 67 -8.201 7.653 1.736 1.00 8.20 C ATOM 2417 C SER B 67 -7.074 6.862 2.410 1.00 11.02 C ATOM 2418 O SER B 67 -7.088 5.648 2.434 1.00 11.45 O ATOM 2419 CB SER B 67 -8.171 7.391 0.232 1.00 8.01 C ATOM 2420 OG SER B 67 -9.175 8.175 -0.399 1.00 11.22 O ATOM 0 H SER B 67 -7.375 9.574 1.347 1.00 7.98 H new ATOM 0 HA SER B 67 -9.157 7.335 2.151 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.190 7.640 -0.173 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.339 6.333 0.032 1.00 8.01 H new ATOM 0 HG SER B 67 -9.609 7.647 -1.102 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.088 7.536 2.942 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.956 6.814 3.591 1.00 11.79 C ATOM 2428 C PHE B 68 -5.370 6.363 4.993 1.00 12.69 C ATOM 2429 O PHE B 68 -6.271 6.913 5.594 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.740 7.747 3.675 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.411 8.299 2.302 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.133 7.885 1.169 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.406 9.263 2.172 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.844 8.436 -0.081 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.124 9.817 0.921 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.844 9.403 -0.203 1.00 11.87 C ATOM 0 H PHE B 68 -6.018 8.554 2.955 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.694 5.936 3.001 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.947 8.565 4.365 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.882 7.204 4.072 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.910 7.142 1.265 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.847 9.580 3.040 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.394 8.114 -0.953 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.351 10.564 0.823 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.626 9.833 -1.170 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.719 5.360 5.514 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.073 4.863 6.875 1.00 15.38 C ATOM 2448 C LYS B 69 -3.794 4.515 7.640 1.00 15.02 C ATOM 2449 O LYS B 69 -2.717 4.473 7.080 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.949 3.612 6.754 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.602 2.861 5.465 1.00 20.35 C ATOM 2452 CD LYS B 69 -6.018 1.395 5.598 1.00 21.35 C ATOM 2453 CE LYS B 69 -4.790 0.498 5.430 1.00 30.24 C ATOM 2454 NZ LYS B 69 -4.403 0.449 3.992 1.00 32.70 N ATOM 0 H LYS B 69 -3.956 4.862 5.056 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.620 5.638 7.411 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.795 2.964 7.617 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.002 3.893 6.750 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.111 3.319 4.617 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.532 2.930 5.269 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -6.476 1.223 6.572 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -6.767 1.149 4.845 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -3.962 0.881 6.027 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -5.008 -0.506 5.793 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -3.669 -0.275 3.855 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -5.236 0.211 3.416 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -4.034 1.376 3.700 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.905 4.261 8.915 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.695 3.910 9.712 1.00 13.49 C ATOM 2470 C VAL B 70 -2.757 2.435 10.107 1.00 11.85 C ATOM 2471 O VAL B 70 -3.800 1.918 10.455 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.637 4.772 10.969 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.196 4.835 11.480 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.128 6.184 10.643 1.00 15.63 C ATOM 0 H VAL B 70 -4.780 4.281 9.439 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.803 4.090 9.112 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.274 4.336 11.738 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.155 5.451 12.378 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.849 3.829 11.714 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.556 5.270 10.712 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.087 6.800 11.541 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.492 6.622 9.873 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.155 6.138 10.282 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.648 1.752 10.050 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.642 0.308 10.418 1.00 11.07 C ATOM 2486 C GLY B 71 -0.809 -0.469 9.398 1.00 12.15 C ATOM 2487 O GLY B 71 0.038 0.084 8.726 1.00 12.70 O ATOM 0 H GLY B 71 -0.745 2.131 9.764 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -1.228 0.177 11.418 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.661 -0.077 10.442 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.038 -1.748 9.278 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.253 -2.552 8.303 1.00 19.42 C ATOM 2493 C GLN B 72 1.220 -2.529 8.707 1.00 16.97 C ATOM 2494 O GLN B 72 2.018 -1.805 8.146 1.00 20.46 O ATOM 2495 CB GLN B 72 -0.410 -1.955 6.903 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.020 -3.001 5.967 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.197 -4.289 6.036 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -0.746 -5.372 6.076 1.00 26.22 O ATOM 2499 NE2 GLN B 72 1.106 -4.218 6.050 1.00 25.15 N ATOM 0 H GLN B 72 -1.733 -2.269 9.812 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.616 -3.580 8.298 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.047 -1.071 6.942 1.00 22.64 H new ATOM 0 HB3 GLN B 72 0.559 -1.633 6.523 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -2.053 -3.201 6.252 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.039 -2.623 4.945 1.00 25.29 H new ATOM 0 HE21 GLN B 72 1.568 -3.309 6.016 1.00 25.15 H new ATOM 0 HE22 GLN B 72 1.663 -5.071 6.094 1.00 25.15 H new ATOM 2508 N PHE B 73 1.582 -3.312 9.685 1.00 14.56 N ATOM 2509 CA PHE B 73 3.003 -3.337 10.138 1.00 14.60 C ATOM 2510 C PHE B 73 3.339 -2.015 10.830 1.00 15.63 C ATOM 2511 O PHE B 73 4.480 -1.735 11.136 1.00 17.80 O ATOM 2512 CB PHE B 73 3.922 -3.530 8.931 1.00 12.63 C ATOM 2513 CG PHE B 73 4.499 -4.923 8.960 1.00 14.99 C ATOM 2514 CD1 PHE B 73 5.445 -5.270 9.932 1.00 19.79 C ATOM 2515 CD2 PHE B 73 4.087 -5.869 8.014 1.00 16.27 C ATOM 2516 CE1 PHE B 73 5.980 -6.563 9.957 1.00 18.68 C ATOM 2517 CE2 PHE B 73 4.622 -7.163 8.040 1.00 20.44 C ATOM 2518 CZ PHE B 73 5.568 -7.510 9.012 1.00 17.88 C ATOM 0 H PHE B 73 0.955 -3.937 10.191 1.00 14.56 H new ATOM 0 HA PHE B 73 3.147 -4.161 10.837 1.00 14.60 H new ATOM 0 HB2 PHE B 73 3.365 -3.374 8.007 1.00 12.63 H new ATOM 0 HB3 PHE B 73 4.724 -2.792 8.948 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.762 -4.540 10.662 1.00 19.79 H new ATOM 0 HD2 PHE B 73 3.357 -5.601 7.265 1.00 16.27 H new ATOM 0 HE1 PHE B 73 6.711 -6.830 10.706 1.00 18.68 H new ATOM 0 HE2 PHE B 73 4.305 -7.893 7.310 1.00 20.44 H new ATOM 0 HZ PHE B 73 5.980 -8.508 9.033 1.00 17.88 H new ATOM 2528 N GLY B 74 2.350 -1.202 11.081 1.00 13.82 N ATOM 2529 CA GLY B 74 2.607 0.101 11.756 1.00 13.44 C ATOM 2530 C GLY B 74 3.121 1.117 10.734 1.00 10.42 C ATOM 2531 O GLY B 74 4.078 1.825 10.976 1.00 13.62 O ATOM 0 H GLY B 74 1.374 -1.384 10.847 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.692 0.468 12.220 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.338 -0.029 12.554 1.00 13.44 H new ATOM 2535 N SER B 75 2.493 1.195 9.592 1.00 12.64 N ATOM 2536 CA SER B 75 2.949 2.167 8.559 1.00 12.47 C ATOM 2537 C SER B 75 1.741 2.691 7.778 1.00 12.47 C ATOM 2538 O SER B 75 0.829 1.954 7.458 1.00 11.32 O ATOM 2539 CB SER B 75 3.915 1.473 7.599 1.00 11.21 C ATOM 2540 OG SER B 75 4.805 2.436 7.050 1.00 18.27 O ATOM 0 H SER B 75 1.686 0.629 9.331 1.00 12.64 H new ATOM 0 HA SER B 75 3.455 3.001 9.045 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.476 0.701 8.125 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.361 0.977 6.802 1.00 11.21 H new ATOM 0 HG SER B 75 5.427 1.994 6.435 1.00 18.27 H new ATOM 2546 N LEU B 76 1.728 3.959 7.466 1.00 12.43 N ATOM 2547 CA LEU B 76 0.581 4.529 6.704 1.00 12.18 C ATOM 2548 C LEU B 76 0.396 3.744 5.405 1.00 12.07 C ATOM 2549 O LEU B 76 1.316 3.127 4.906 1.00 9.82 O ATOM 2550 CB LEU B 76 0.864 5.996 6.377 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.350 6.848 6.752 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.476 6.916 8.275 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.172 8.261 6.190 1.00 7.80 C ATOM 0 H LEU B 76 2.463 4.625 7.706 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.326 4.460 7.305 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.743 6.338 6.923 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.085 6.107 5.315 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.252 6.401 6.334 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.341 7.523 8.542 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.602 5.910 8.675 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.425 7.364 8.695 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.036 8.870 6.456 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.730 8.708 6.608 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.083 8.212 5.105 1.00 7.80 H new ATOM 2565 N MET B 77 -0.787 3.761 4.851 1.00 14.08 N ATOM 2566 CA MET B 77 -1.026 3.013 3.584 1.00 14.12 C ATOM 2567 C MET B 77 -2.329 3.492 2.943 1.00 11.37 C ATOM 2568 O MET B 77 -3.357 3.571 3.586 1.00 11.44 O ATOM 2569 CB MET B 77 -1.129 1.517 3.886 1.00 16.48 C ATOM 2570 CG MET B 77 0.272 0.936 4.072 1.00 24.75 C ATOM 2571 SD MET B 77 0.252 -0.829 3.669 1.00 35.11 S ATOM 2572 CE MET B 77 2.045 -1.068 3.608 1.00 33.86 C ATOM 0 H MET B 77 -1.596 4.260 5.221 1.00 14.08 H new ATOM 0 HA MET B 77 -0.198 3.191 2.898 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.723 1.357 4.786 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.641 1.005 3.071 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.982 1.458 3.431 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.604 1.081 5.100 1.00 24.75 H new ATOM 0 HE1 MET B 77 2.265 -2.109 3.370 1.00 33.86 H new ATOM 0 HE2 MET B 77 2.472 -0.422 2.841 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.479 -0.818 4.576 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.294 3.809 1.678 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.531 4.280 0.993 1.00 11.62 C ATOM 2584 C ILE B 78 -4.576 3.161 0.980 1.00 11.45 C ATOM 2585 O ILE B 78 -4.270 2.012 0.729 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.212 4.653 -0.449 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.302 5.882 -0.485 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.513 4.953 -1.193 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.956 5.502 -1.106 1.00 13.67 C ATOM 0 H ILE B 78 -1.463 3.762 1.089 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.917 5.147 1.529 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.698 3.821 -0.930 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.770 6.678 -1.064 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.153 6.267 0.524 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.288 5.220 -2.226 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.153 4.071 -1.178 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.027 5.782 -0.707 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.307 6.377 -1.132 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.487 4.720 -0.508 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.114 5.137 -2.121 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.810 3.496 1.223 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.891 2.465 1.200 1.00 14.79 C ATOM 2603 C ASP B 79 -7.721 2.666 -0.070 1.00 15.20 C ATOM 2604 O ASP B 79 -8.358 1.761 -0.570 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.782 2.628 2.435 1.00 12.21 C ATOM 2606 CG ASP B 79 -9.087 1.853 2.236 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.876 2.264 1.401 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.274 0.861 2.921 1.00 21.87 O ATOM 0 H ASP B 79 -6.122 4.443 1.438 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.459 1.464 1.209 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.262 2.263 3.321 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.997 3.683 2.604 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.694 3.857 -0.589 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.445 4.184 -1.830 1.00 17.14 C ATOM 2615 C ARG B 80 -8.212 5.660 -2.117 1.00 14.98 C ATOM 2616 O ARG B 80 -9.093 6.486 -1.992 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.937 3.911 -1.638 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.685 4.255 -2.927 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.069 2.967 -3.656 1.00 28.43 C ATOM 2620 NE ARG B 80 -10.187 2.788 -4.844 1.00 33.10 N ATOM 2621 CZ ARG B 80 -10.125 1.630 -5.447 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -10.838 0.625 -5.013 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -9.349 1.477 -6.485 1.00 35.04 N ATOM 0 H ARG B 80 -7.169 4.638 -0.195 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.103 3.568 -2.662 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.096 2.864 -1.380 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.323 4.506 -0.810 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.579 4.835 -2.697 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.059 4.875 -3.568 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.971 2.114 -2.985 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -12.113 3.010 -3.967 1.00 28.43 H new ATOM 0 HE ARG B 80 -9.631 3.571 -5.187 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.445 0.743 -4.202 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -10.788 -0.278 -5.485 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -8.792 2.261 -6.825 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -9.300 0.574 -6.956 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.999 5.974 -2.461 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.589 7.377 -2.733 1.00 11.27 C ATOM 2639 C LEU B 81 -7.761 8.218 -3.260 1.00 15.61 C ATOM 2640 O LEU B 81 -8.333 7.938 -4.293 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.426 7.347 -3.730 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.931 7.533 -5.157 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.733 7.623 -6.105 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.797 6.327 -5.541 1.00 18.72 C ATOM 0 H LEU B 81 -6.248 5.292 -2.569 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.269 7.852 -1.806 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.712 8.134 -3.487 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.895 6.399 -3.648 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.522 8.446 -5.228 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -5.087 7.756 -7.127 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.109 8.472 -5.824 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.148 6.706 -6.040 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.163 6.451 -6.560 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.201 5.416 -5.478 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.644 6.255 -4.858 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.111 9.258 -2.549 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.230 10.131 -3.001 1.00 12.72 C ATOM 2658 C ARG B 82 -8.669 11.218 -3.918 1.00 13.33 C ATOM 2659 O ARG B 82 -8.105 12.195 -3.466 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.898 10.778 -1.787 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.303 10.200 -1.607 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.333 11.180 -2.171 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.696 12.176 -1.123 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.318 13.276 -1.452 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.621 13.512 -2.700 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -13.636 14.144 -0.530 1.00 16.89 N ATOM 0 H ARG B 82 -7.669 9.539 -1.674 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.968 9.537 -3.540 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.302 10.598 -0.892 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.952 11.858 -1.922 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.381 9.240 -2.117 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.500 10.017 -0.551 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.927 11.688 -3.046 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -13.222 10.641 -2.499 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.458 11.998 -0.147 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.372 12.836 -3.422 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.107 14.372 -2.953 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -13.399 13.962 0.445 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.122 15.004 -0.785 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.801 11.047 -5.203 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.255 12.062 -6.150 1.00 13.86 C ATOM 2682 C LEU B 83 -9.063 13.355 -6.077 1.00 13.02 C ATOM 2683 O LEU B 83 -10.274 13.348 -5.970 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.325 11.534 -7.584 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.919 11.421 -8.176 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -7.027 11.238 -9.693 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.135 12.700 -7.875 1.00 10.58 C ATOM 0 H LEU B 83 -9.263 10.249 -5.640 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.220 12.258 -5.870 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.812 10.559 -7.597 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.932 12.201 -8.196 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.403 10.567 -7.737 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -6.028 11.157 -10.122 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.590 10.331 -9.911 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.540 12.096 -10.127 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.133 12.620 -8.297 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.648 13.554 -8.318 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.065 12.838 -6.796 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.391 14.465 -6.153 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.077 15.774 -6.114 1.00 12.86 C ATOM 2701 C VAL B 84 -8.342 16.715 -7.072 1.00 14.98 C ATOM 2702 O VAL B 84 -7.165 16.546 -7.303 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.005 16.321 -4.690 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.656 15.327 -3.726 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.539 16.528 -4.297 1.00 17.34 C ATOM 0 H VAL B 84 -7.376 14.518 -6.242 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.122 15.682 -6.409 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.533 17.273 -4.640 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.604 15.718 -2.710 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.699 15.179 -4.005 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.129 14.374 -3.775 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.486 16.918 -3.281 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.011 15.576 -4.348 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.075 17.237 -4.983 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.040 17.686 -7.592 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.444 18.665 -8.513 1.00 22.41 C ATOM 2717 C PRO B 85 -7.316 19.440 -7.814 1.00 25.70 C ATOM 2718 O PRO B 85 -7.399 19.753 -6.643 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.622 19.550 -8.923 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.696 19.338 -7.844 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.460 17.918 -7.302 1.00 20.63 C ATOM 0 HA PRO B 85 -7.970 18.217 -9.386 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.324 20.597 -8.979 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.996 19.272 -9.908 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.607 20.080 -7.051 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.698 19.437 -8.263 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.670 17.853 -6.234 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.098 17.186 -7.797 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.253 19.726 -8.521 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.103 20.451 -7.903 1.00 39.94 C ATOM 2731 C ALA B 86 -5.431 21.942 -7.796 1.00 46.96 C ATOM 2732 O ALA B 86 -5.638 22.614 -8.787 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.860 20.263 -8.779 1.00 39.70 C ATOM 0 H ALA B 86 -6.132 19.487 -9.505 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.914 20.052 -6.906 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.017 20.790 -8.332 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.625 19.201 -8.854 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.052 20.663 -9.774 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.479 22.466 -6.601 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.793 23.913 -6.435 1.00 55.12 C ATOM 2741 C LYS B 87 -4.492 24.699 -6.260 1.00 55.82 C ATOM 2742 O LYS B 87 -4.560 25.916 -6.206 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.676 24.107 -5.201 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.957 23.284 -5.353 1.00 55.49 C ATOM 2745 CD LYS B 87 -7.992 22.192 -4.281 1.00 56.64 C ATOM 2746 CE LYS B 87 -8.884 22.641 -3.123 1.00 58.91 C ATOM 2747 NZ LYS B 87 -9.486 21.446 -2.467 1.00 58.16 N ATOM 2748 OXT LYS B 87 -3.449 24.070 -6.183 1.00 57.66 O ATOM 0 H LYS B 87 -5.314 21.955 -5.734 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.321 24.274 -7.318 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.138 23.799 -4.304 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.922 25.162 -5.079 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -8.830 23.930 -5.258 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.998 22.836 -6.346 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -8.371 21.262 -4.706 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -6.984 21.990 -3.920 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -8.300 23.211 -2.400 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.669 23.302 -3.490 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -10.093 21.751 -1.679 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -10.056 20.920 -3.160 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -8.730 20.832 -2.103 1.00 58.16 H new