USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=32 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 15 THR OG1 : rot -69:sc= 0.768 USER MOD Set 1.2: B 29 ASN : amide:sc= -6.45! C(o=-5.7!,f=-8.8!) USER MOD Set 2.1: A 15 THR OG1 : rot -69:sc= 0.769 USER MOD Set 2.2: A 29 ASN : amide:sc= -6.35! C(o=-5.6!,f=-8.7!) USER MOD Single : A 1 MET CE :methyl 159:sc= 0 (180deg=-0.123) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.146 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0059 USER MOD Single : A 10 GLN : amide:sc= -8.31! C(o=-8.3!,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -8.38! C(o=-8.4!,f=-11!) USER MOD Single : A 33 CYS SG : rot 135:sc= -7.25! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.88! C(o=-3.9!,f=-9.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.69) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.684 K(o=-0.68,f=-0.082) USER MOD Single : A 56 TYR OH : rot 30:sc= -0.972 USER MOD Single : A 61 TYR OH : rot 29:sc= 0.324 USER MOD Single : A 62 THR OG1 : rot 9:sc= 0.453 USER MOD Single : A 64 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-4!) USER MOD Single : A 66 SER OG : rot 130:sc= -1.03 USER MOD Single : A 67 SER OG : rot -148:sc= -0.314 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -0.121 (180deg=-0.868) USER MOD Single : A 72 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -159:sc= -0.733 (180deg=-2.83!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 156:sc= 0 (180deg=-0.142) USER MOD Single : B 1 MET N :NH3+ -117:sc= 0.118 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00831 USER MOD Single : B 10 GLN : amide:sc= -8.16! C(o=-8.2!,f=-5!) USER MOD Single : B 12 GLN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -8.45! C(o=-8.4!,f=-11!) USER MOD Single : B 33 CYS SG : rot 130:sc= -7.22! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -3.83! C(o=-3.8!,f=-9.1!) USER MOD Single : B 41 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.69) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -160:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.651 K(o=-0.65,f=-0.075) USER MOD Single : B 56 TYR OH : rot 30:sc= -1.06 USER MOD Single : B 61 TYR OH : rot 27:sc= 0.36 USER MOD Single : B 62 THR OG1 : rot 24:sc= 0.68 USER MOD Single : B 64 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-4!) USER MOD Single : B 66 SER OG : rot 139:sc= -1.03 USER MOD Single : B 67 SER OG : rot -140:sc= -0.202 USER MOD Single : B 69 LYS NZ :NH3+ -157:sc= -0.134 (180deg=-0.709) USER MOD Single : B 72 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -162:sc= -0.676 (180deg=-2.73!) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.835 18.325 3.963 1.00 42.32 N ATOM 2 CA MET A 1 -1.892 17.264 3.504 1.00 40.89 C ATOM 3 C MET A 1 -1.716 16.227 4.612 1.00 34.75 C ATOM 4 O MET A 1 -2.198 16.394 5.715 1.00 33.97 O ATOM 5 CB MET A 1 -0.532 17.895 3.176 1.00 48.45 C ATOM 6 CG MET A 1 0.211 18.245 4.472 1.00 56.13 C ATOM 7 SD MET A 1 0.649 20.002 4.455 1.00 64.91 S ATOM 8 CE MET A 1 0.159 20.377 6.156 1.00 63.43 C ATOM 0 H1 MET A 1 -3.702 18.290 3.390 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.074 18.168 4.963 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.387 19.257 3.856 1.00 42.32 H new ATOM 0 HA MET A 1 -2.294 16.782 2.613 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.065 17.204 2.581 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.674 18.793 2.575 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.416 18.023 5.335 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.110 17.635 4.566 1.00 56.13 H new ATOM 0 HE1 MET A 1 0.667 21.282 6.490 1.00 63.43 H new ATOM 0 HE2 MET A 1 -0.919 20.529 6.199 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.434 19.546 6.805 1.00 63.43 H new ATOM 20 N ILE A 2 -1.009 15.165 4.337 1.00 28.59 N ATOM 21 CA ILE A 2 -0.787 14.137 5.389 1.00 24.58 C ATOM 22 C ILE A 2 0.084 14.766 6.472 1.00 19.29 C ATOM 23 O ILE A 2 1.281 14.567 6.519 1.00 19.53 O ATOM 24 CB ILE A 2 -0.080 12.922 4.790 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.710 12.563 3.447 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.225 11.732 5.734 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.393 12.188 2.467 1.00 33.80 C ATOM 0 H ILE A 2 -0.578 14.967 3.434 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.737 13.806 5.807 1.00 24.58 H new ATOM 0 HB ILE A 2 0.974 13.161 4.648 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.405 11.732 3.567 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.284 13.406 3.063 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.279 10.865 5.307 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.224 11.975 6.697 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.282 11.505 5.873 1.00 23.06 H new ATOM 0 HD11 ILE A 2 -0.048 11.930 1.504 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.070 13.033 2.341 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.947 11.333 2.853 1.00 33.80 H new ATOM 39 N LYS A 3 -0.511 15.553 7.321 1.00 18.14 N ATOM 40 CA LYS A 3 0.268 16.239 8.383 1.00 16.66 C ATOM 41 C LYS A 3 0.665 15.251 9.483 1.00 14.94 C ATOM 42 O LYS A 3 0.082 14.196 9.640 1.00 13.94 O ATOM 43 CB LYS A 3 -0.574 17.405 8.939 1.00 16.94 C ATOM 44 CG LYS A 3 -0.900 17.185 10.414 1.00 17.85 C ATOM 45 CD LYS A 3 -1.909 18.234 10.886 1.00 19.63 C ATOM 46 CE LYS A 3 -1.201 19.265 11.767 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.177 19.848 12.731 1.00 32.72 N ATOM 0 H LYS A 3 -1.512 15.751 7.324 1.00 18.14 H new ATOM 0 HA LYS A 3 1.193 16.639 7.968 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -0.030 18.342 8.818 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.498 17.497 8.368 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -1.307 16.184 10.560 1.00 17.85 H new ATOM 0 HG3 LYS A 3 0.010 17.249 11.010 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.366 18.726 10.028 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.713 17.755 11.444 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.378 18.795 12.306 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.769 20.052 11.149 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.696 20.549 13.330 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -2.948 20.310 12.208 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.569 19.092 13.328 1.00 32.72 H new ATOM 61 N VAL A 4 1.662 15.607 10.242 1.00 12.42 N ATOM 62 CA VAL A 4 2.133 14.727 11.342 1.00 12.99 C ATOM 63 C VAL A 4 2.980 15.566 12.305 1.00 14.26 C ATOM 64 O VAL A 4 3.343 16.686 12.012 1.00 13.80 O ATOM 65 CB VAL A 4 2.951 13.544 10.756 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.482 13.902 9.368 1.00 14.46 C ATOM 67 CG2 VAL A 4 4.133 13.185 11.672 1.00 10.41 C ATOM 0 H VAL A 4 2.176 16.482 10.144 1.00 12.42 H new ATOM 0 HA VAL A 4 1.287 14.307 11.886 1.00 12.99 H new ATOM 0 HB VAL A 4 2.286 12.683 10.683 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.053 13.064 8.970 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.646 14.120 8.704 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.126 14.778 9.440 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.690 12.354 11.239 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.790 14.049 11.773 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.758 12.898 12.654 1.00 10.41 H new ATOM 77 N GLU A 5 3.284 15.037 13.456 1.00 9.27 N ATOM 78 CA GLU A 5 4.095 15.804 14.441 1.00 10.51 C ATOM 79 C GLU A 5 5.054 14.866 15.156 1.00 10.00 C ATOM 80 O GLU A 5 4.656 14.012 15.924 1.00 10.96 O ATOM 81 CB GLU A 5 3.165 16.458 15.462 1.00 10.42 C ATOM 82 CG GLU A 5 2.552 17.712 14.844 1.00 18.68 C ATOM 83 CD GLU A 5 1.417 18.221 15.734 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.665 18.441 16.908 1.00 19.38 O ATOM 85 OE2 GLU A 5 0.320 18.383 15.226 1.00 22.12 O ATOM 0 H GLU A 5 3.005 14.104 13.758 1.00 9.27 H new ATOM 0 HA GLU A 5 4.666 16.573 13.920 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.380 15.761 15.757 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.719 16.715 16.365 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.314 18.484 14.732 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.174 17.490 13.846 1.00 18.68 H new ATOM 92 N ILE A 6 6.321 15.028 14.918 1.00 9.86 N ATOM 93 CA ILE A 6 7.312 14.154 15.604 1.00 10.60 C ATOM 94 C ILE A 6 7.429 14.629 17.060 1.00 10.16 C ATOM 95 O ILE A 6 8.098 15.599 17.359 1.00 11.64 O ATOM 96 CB ILE A 6 8.669 14.223 14.870 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.714 13.126 13.802 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.821 14.001 15.846 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.405 13.727 12.431 1.00 13.81 C ATOM 0 H ILE A 6 6.714 15.722 14.283 1.00 9.86 H new ATOM 0 HA ILE A 6 6.992 13.112 15.591 1.00 10.60 H new ATOM 0 HB ILE A 6 8.772 15.209 14.416 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.698 12.657 13.790 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.991 12.345 14.039 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.768 14.053 15.309 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.798 14.771 16.617 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.721 13.020 16.310 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.438 12.943 11.674 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.412 14.175 12.446 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.145 14.492 12.194 1.00 13.81 H new ATOM 111 N LYS A 7 6.761 13.957 17.964 1.00 11.63 N ATOM 112 CA LYS A 7 6.799 14.361 19.397 1.00 11.59 C ATOM 113 C LYS A 7 8.248 14.457 19.868 1.00 12.98 C ATOM 114 O LYS A 7 9.143 13.966 19.210 1.00 9.79 O ATOM 115 CB LYS A 7 6.048 13.306 20.220 1.00 12.52 C ATOM 116 CG LYS A 7 4.547 13.582 20.127 1.00 14.26 C ATOM 117 CD LYS A 7 3.793 12.815 21.215 1.00 15.70 C ATOM 118 CE LYS A 7 2.884 13.779 21.973 1.00 19.19 C ATOM 119 NZ LYS A 7 3.374 13.935 23.371 1.00 25.43 N ATOM 0 H LYS A 7 6.186 13.138 17.765 1.00 11.63 H new ATOM 0 HA LYS A 7 6.327 15.335 19.525 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.271 12.307 19.846 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.373 13.337 21.260 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.361 14.651 20.232 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.177 13.289 19.144 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.203 12.015 20.769 1.00 15.70 H new ATOM 0 HD3 LYS A 7 4.498 12.346 21.901 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.867 14.747 21.473 1.00 19.19 H new ATOM 0 HE3 LYS A 7 1.861 13.403 21.976 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 2.753 14.592 23.885 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 3.368 13.010 23.846 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.343 14.312 23.359 1.00 25.43 H new ATOM 133 N PRO A 8 8.439 15.074 21.006 1.00 13.56 N ATOM 134 CA PRO A 8 9.776 15.225 21.592 1.00 11.93 C ATOM 135 C PRO A 8 10.252 13.863 22.088 1.00 10.20 C ATOM 136 O PRO A 8 11.422 13.645 22.330 1.00 12.05 O ATOM 137 CB PRO A 8 9.569 16.226 22.734 1.00 12.78 C ATOM 138 CG PRO A 8 8.063 16.181 23.079 1.00 12.51 C ATOM 139 CD PRO A 8 7.348 15.659 21.818 1.00 13.61 C ATOM 0 HA PRO A 8 10.537 15.580 20.897 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.175 15.959 23.600 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.869 17.229 22.432 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.878 15.526 23.930 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.697 17.170 23.353 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.592 14.914 22.067 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.840 16.463 21.285 1.00 13.61 H new ATOM 147 N SER A 9 9.343 12.937 22.208 1.00 10.65 N ATOM 148 CA SER A 9 9.721 11.570 22.650 1.00 10.83 C ATOM 149 C SER A 9 9.935 10.690 21.414 1.00 10.94 C ATOM 150 O SER A 9 10.299 9.536 21.517 1.00 13.16 O ATOM 151 CB SER A 9 8.603 10.982 23.512 1.00 13.01 C ATOM 152 OG SER A 9 7.754 12.031 23.958 1.00 15.52 O ATOM 0 H SER A 9 8.350 13.071 22.018 1.00 10.65 H new ATOM 0 HA SER A 9 10.639 11.612 23.236 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.030 10.254 22.938 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.026 10.453 24.366 1.00 13.01 H new ATOM 0 HG SER A 9 7.035 11.658 24.510 1.00 15.52 H new ATOM 158 N GLN A 10 9.711 11.229 20.241 1.00 10.02 N ATOM 159 CA GLN A 10 9.900 10.429 19.000 1.00 11.55 C ATOM 160 C GLN A 10 10.777 11.207 18.017 1.00 13.72 C ATOM 161 O GLN A 10 10.490 11.270 16.839 1.00 17.31 O ATOM 162 CB GLN A 10 8.546 10.164 18.351 1.00 6.60 C ATOM 163 CG GLN A 10 7.493 10.003 19.441 1.00 7.20 C ATOM 164 CD GLN A 10 7.791 8.758 20.284 1.00 10.36 C ATOM 165 OE1 GLN A 10 7.209 8.573 21.334 1.00 13.01 O ATOM 166 NE2 GLN A 10 8.676 7.889 19.872 1.00 4.80 N ATOM 0 H GLN A 10 9.405 12.191 20.093 1.00 10.02 H new ATOM 0 HA GLN A 10 10.379 9.483 19.254 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.279 10.988 17.689 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.593 9.264 17.738 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.480 10.888 20.078 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.504 9.919 18.992 1.00 7.20 H new ATOM 0 HE21 GLN A 10 9.167 8.040 18.991 1.00 4.80 H new ATOM 0 HE22 GLN A 10 8.875 7.060 20.431 1.00 4.80 H new ATOM 175 N ALA A 11 11.835 11.810 18.485 1.00 15.28 N ATOM 176 CA ALA A 11 12.710 12.589 17.562 1.00 18.95 C ATOM 177 C ALA A 11 14.083 11.921 17.451 1.00 20.75 C ATOM 178 O ALA A 11 15.053 12.540 17.061 1.00 24.78 O ATOM 179 CB ALA A 11 12.877 14.011 18.099 1.00 17.72 C ATOM 0 H ALA A 11 12.131 11.798 19.461 1.00 15.28 H new ATOM 0 HA ALA A 11 12.249 12.621 16.575 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.516 14.582 17.425 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.901 14.491 18.167 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.333 13.975 19.088 1.00 17.72 H new ATOM 185 N GLN A 12 14.176 10.664 17.788 1.00 22.50 N ATOM 186 CA GLN A 12 15.488 9.965 17.695 1.00 25.43 C ATOM 187 C GLN A 12 15.294 8.589 17.063 1.00 22.80 C ATOM 188 O GLN A 12 14.329 7.902 17.333 1.00 20.93 O ATOM 189 CB GLN A 12 16.076 9.802 19.094 1.00 30.18 C ATOM 190 CG GLN A 12 16.917 11.030 19.423 1.00 42.11 C ATOM 191 CD GLN A 12 17.667 10.804 20.738 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.858 11.032 20.818 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.016 10.363 21.779 1.00 47.90 N ATOM 0 H GLN A 12 13.401 10.092 18.123 1.00 22.50 H new ATOM 0 HA GLN A 12 16.168 10.553 17.078 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.278 9.685 19.827 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.689 8.902 19.143 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.626 11.224 18.618 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.278 11.909 19.504 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.016 10.172 21.712 1.00 47.90 H new ATOM 0 HE22 GLN A 12 17.507 10.210 22.660 1.00 47.90 H new ATOM 202 N PHE A 13 16.202 8.178 16.221 1.00 21.61 N ATOM 203 CA PHE A 13 16.060 6.847 15.578 1.00 20.51 C ATOM 204 C PHE A 13 16.844 5.809 16.378 1.00 18.83 C ATOM 205 O PHE A 13 17.688 6.140 17.186 1.00 18.83 O ATOM 206 CB PHE A 13 16.616 6.908 14.159 1.00 19.56 C ATOM 207 CG PHE A 13 18.065 7.329 14.225 1.00 19.62 C ATOM 208 CD1 PHE A 13 19.059 6.380 14.485 1.00 15.55 C ATOM 209 CD2 PHE A 13 18.412 8.673 14.037 1.00 20.50 C ATOM 210 CE1 PHE A 13 20.399 6.776 14.557 1.00 14.07 C ATOM 211 CE2 PHE A 13 19.749 9.067 14.107 1.00 20.75 C ATOM 212 CZ PHE A 13 20.742 8.121 14.367 1.00 18.48 C ATOM 0 H PHE A 13 17.032 8.706 15.953 1.00 21.61 H new ATOM 0 HA PHE A 13 15.006 6.569 15.549 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.527 5.935 13.676 1.00 19.56 H new ATOM 0 HB3 PHE A 13 16.044 7.615 13.559 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.793 5.343 14.630 1.00 15.55 H new ATOM 0 HD2 PHE A 13 17.644 9.405 13.838 1.00 20.50 H new ATOM 0 HE1 PHE A 13 21.168 6.045 14.759 1.00 14.07 H new ATOM 0 HE2 PHE A 13 20.015 10.103 13.960 1.00 20.75 H new ATOM 0 HZ PHE A 13 21.776 8.426 14.422 1.00 18.48 H new ATOM 222 N THR A 14 16.578 4.555 16.152 1.00 14.89 N ATOM 223 CA THR A 14 17.314 3.496 16.890 1.00 13.37 C ATOM 224 C THR A 14 17.738 2.405 15.911 1.00 11.97 C ATOM 225 O THR A 14 17.057 2.125 14.944 1.00 10.76 O ATOM 226 CB THR A 14 16.411 2.893 17.966 1.00 13.68 C ATOM 227 OG1 THR A 14 15.976 3.917 18.849 1.00 13.48 O ATOM 228 CG2 THR A 14 17.189 1.836 18.749 1.00 9.24 C ATOM 0 H THR A 14 15.882 4.218 15.487 1.00 14.89 H new ATOM 0 HA THR A 14 18.195 3.929 17.364 1.00 13.37 H new ATOM 0 HB THR A 14 15.544 2.430 17.496 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.396 3.530 19.538 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.546 1.405 19.517 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.520 1.050 18.070 1.00 9.24 H new ATOM 0 HG23 THR A 14 18.057 2.298 19.220 1.00 9.24 H new ATOM 236 N THR A 15 18.858 1.786 16.151 1.00 13.20 N ATOM 237 CA THR A 15 19.327 0.714 15.234 1.00 12.54 C ATOM 238 C THR A 15 18.933 -0.649 15.804 1.00 14.34 C ATOM 239 O THR A 15 19.415 -1.063 16.840 1.00 17.35 O ATOM 240 CB THR A 15 20.848 0.791 15.098 1.00 11.88 C ATOM 241 OG1 THR A 15 21.288 2.093 15.459 1.00 17.15 O ATOM 242 CG2 THR A 15 21.245 0.499 13.653 1.00 8.30 C ATOM 0 H THR A 15 19.470 1.977 16.944 1.00 13.20 H new ATOM 0 HA THR A 15 18.868 0.845 14.254 1.00 12.54 H new ATOM 0 HB THR A 15 21.311 0.056 15.756 1.00 11.88 H new ATOM 0 HG1 THR A 15 20.990 2.738 14.784 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.329 0.554 13.555 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.906 -0.499 13.377 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.784 1.234 12.993 1.00 8.30 H new ATOM 435 N LEU A 28 18.344 -1.102 10.195 1.00 18.57 N ATOM 436 CA LEU A 28 18.390 0.340 9.817 1.00 16.31 C ATOM 437 C LEU A 28 17.895 1.210 10.977 1.00 14.21 C ATOM 438 O LEU A 28 17.180 0.756 11.848 1.00 16.97 O ATOM 439 CB LEU A 28 17.493 0.560 8.600 1.00 16.48 C ATOM 440 CG LEU A 28 18.166 1.535 7.634 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.961 1.049 6.198 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.542 2.924 7.798 1.00 22.01 C ATOM 0 HA LEU A 28 19.418 0.618 9.583 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.303 -0.390 8.100 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.527 0.954 8.915 1.00 16.48 H new ATOM 0 HG LEU A 28 19.233 1.588 7.851 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.440 1.743 5.507 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.402 0.059 6.082 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.894 0.998 5.980 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.020 3.621 7.110 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.476 2.872 7.579 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.685 3.269 8.822 1.00 22.01 H new ATOM 454 N ASN A 29 18.265 2.465 10.985 1.00 11.64 N ATOM 455 CA ASN A 29 17.813 3.377 12.076 1.00 9.77 C ATOM 456 C ASN A 29 16.305 3.610 11.940 1.00 7.94 C ATOM 457 O ASN A 29 15.850 4.259 11.019 1.00 10.52 O ATOM 458 CB ASN A 29 18.549 4.713 11.959 1.00 14.73 C ATOM 459 CG ASN A 29 19.968 4.563 12.511 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.239 3.669 13.288 1.00 23.31 O ATOM 461 ND2 ASN A 29 20.893 5.405 12.140 1.00 12.89 N ATOM 0 H ASN A 29 18.862 2.898 10.280 1.00 11.64 H new ATOM 0 HA ASN A 29 18.030 2.929 13.046 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.584 5.031 10.917 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.013 5.485 12.510 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.842 5.312 12.502 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.667 6.156 11.488 1.00 12.89 H new ATOM 468 N GLU A 30 15.527 3.079 12.842 1.00 8.58 N ATOM 469 CA GLU A 30 14.049 3.264 12.754 1.00 13.16 C ATOM 470 C GLU A 30 13.644 4.565 13.453 1.00 12.26 C ATOM 471 O GLU A 30 14.478 5.344 13.871 1.00 10.58 O ATOM 472 CB GLU A 30 13.353 2.079 13.425 1.00 14.93 C ATOM 473 CG GLU A 30 13.640 0.805 12.627 1.00 27.13 C ATOM 474 CD GLU A 30 12.513 -0.205 12.851 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.536 -0.143 12.123 1.00 38.01 O ATOM 476 OE2 GLU A 30 12.647 -1.024 13.745 1.00 40.03 O ATOM 0 H GLU A 30 15.849 2.525 13.636 1.00 8.58 H new ATOM 0 HA GLU A 30 13.752 3.318 11.707 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.707 1.967 14.450 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.279 2.255 13.476 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.726 1.040 11.566 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.593 0.376 12.937 1.00 27.13 H new ATOM 483 N GLN A 31 12.366 4.805 13.580 1.00 10.34 N ATOM 484 CA GLN A 31 11.900 6.056 14.248 1.00 9.46 C ATOM 485 C GLN A 31 10.372 6.044 14.345 1.00 10.09 C ATOM 486 O GLN A 31 9.722 5.097 13.950 1.00 9.36 O ATOM 487 CB GLN A 31 12.341 7.273 13.428 1.00 7.25 C ATOM 488 CG GLN A 31 12.627 8.451 14.364 1.00 10.62 C ATOM 489 CD GLN A 31 11.570 9.538 14.153 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.652 9.367 13.376 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.660 10.658 14.818 1.00 12.39 N ATOM 0 H GLN A 31 11.624 4.188 13.250 1.00 10.34 H new ATOM 0 HA GLN A 31 12.332 6.112 15.247 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.233 7.030 12.850 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.563 7.544 12.714 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.618 8.116 15.401 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.621 8.852 14.168 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.430 10.803 15.471 1.00 12.39 H new ATOM 0 HE22 GLN A 31 10.960 11.388 14.685 1.00 12.39 H new ATOM 500 N LEU A 32 9.796 7.092 14.868 1.00 6.80 N ATOM 501 CA LEU A 32 8.312 7.148 14.991 1.00 10.34 C ATOM 502 C LEU A 32 7.829 8.568 14.675 1.00 9.02 C ATOM 503 O LEU A 32 8.613 9.491 14.575 1.00 11.15 O ATOM 504 CB LEU A 32 7.910 6.770 16.419 1.00 10.20 C ATOM 505 CG LEU A 32 8.672 5.514 16.847 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.577 5.352 18.366 1.00 17.42 C ATOM 507 CD2 LEU A 32 8.060 4.289 16.162 1.00 15.89 C ATOM 0 H LEU A 32 10.290 7.913 15.216 1.00 6.80 H new ATOM 0 HA LEU A 32 7.857 6.449 14.290 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.130 7.592 17.100 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.836 6.592 16.471 1.00 10.20 H new ATOM 0 HG LEU A 32 9.719 5.607 16.558 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.120 4.457 18.671 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.013 6.224 18.853 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.531 5.259 18.657 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.602 3.393 16.466 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.013 4.195 16.451 1.00 15.89 H new ATOM 0 HD23 LEU A 32 8.129 4.405 15.080 1.00 15.89 H new ATOM 519 N CYS A 33 6.545 8.752 14.517 1.00 9.68 N ATOM 520 CA CYS A 33 6.012 10.108 14.209 1.00 8.10 C ATOM 521 C CYS A 33 4.505 10.091 14.454 1.00 6.34 C ATOM 522 O CYS A 33 3.895 9.044 14.518 1.00 8.02 O ATOM 523 CB CYS A 33 6.290 10.495 12.744 1.00 8.88 C ATOM 524 SG CYS A 33 7.051 9.119 11.837 1.00 13.84 S ATOM 0 H CYS A 33 5.841 8.017 14.589 1.00 9.68 H new ATOM 0 HA CYS A 33 6.503 10.842 14.848 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.358 10.784 12.258 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.948 11.363 12.713 1.00 8.88 H new ATOM 0 HG CYS A 33 6.473 8.989 10.680 1.00 13.84 H new ATOM 530 N TYR A 34 3.895 11.232 14.597 1.00 7.35 N ATOM 531 CA TYR A 34 2.430 11.253 14.850 1.00 7.08 C ATOM 532 C TYR A 34 1.706 11.829 13.636 1.00 7.71 C ATOM 533 O TYR A 34 1.828 12.997 13.332 1.00 7.80 O ATOM 534 CB TYR A 34 2.143 12.123 16.066 1.00 8.67 C ATOM 535 CG TYR A 34 2.443 11.351 17.329 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.450 10.566 17.933 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.711 11.440 17.906 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.729 9.876 19.112 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.990 10.750 19.087 1.00 16.38 C ATOM 540 CZ TYR A 34 2.996 9.971 19.691 1.00 16.83 C ATOM 541 OH TYR A 34 3.272 9.289 20.859 1.00 21.14 O ATOM 0 H TYR A 34 4.344 12.146 14.550 1.00 7.35 H new ATOM 0 HA TYR A 34 2.079 10.237 15.031 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.750 13.028 16.029 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.100 12.439 16.061 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.470 10.496 17.485 1.00 13.61 H new ATOM 0 HD2 TYR A 34 4.476 12.043 17.439 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.966 9.269 19.577 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.971 10.817 19.534 1.00 16.38 H new ATOM 0 HH TYR A 34 4.199 9.462 21.127 1.00 21.14 H new ATOM 551 N VAL A 35 0.957 11.023 12.935 1.00 9.44 N ATOM 552 CA VAL A 35 0.241 11.539 11.734 1.00 10.66 C ATOM 553 C VAL A 35 -1.259 11.673 12.009 1.00 10.57 C ATOM 554 O VAL A 35 -1.869 10.829 12.636 1.00 8.31 O ATOM 555 CB VAL A 35 0.452 10.578 10.567 1.00 10.22 C ATOM 556 CG1 VAL A 35 0.053 11.272 9.261 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.927 10.177 10.502 1.00 9.86 C ATOM 0 H VAL A 35 0.810 10.035 13.140 1.00 9.44 H new ATOM 0 HA VAL A 35 0.641 12.523 11.489 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.161 9.688 10.709 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.202 10.588 8.425 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -0.997 11.562 9.309 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.669 12.160 9.118 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.081 9.491 9.669 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.540 11.067 10.357 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.212 9.688 11.433 1.00 9.86 H new ATOM 567 N ASP A 36 -1.857 12.726 11.514 1.00 8.58 N ATOM 568 CA ASP A 36 -3.308 12.932 11.695 1.00 11.48 C ATOM 569 C ASP A 36 -3.969 12.782 10.326 1.00 12.38 C ATOM 570 O ASP A 36 -4.866 13.517 9.966 1.00 11.89 O ATOM 571 CB ASP A 36 -3.567 14.336 12.244 1.00 16.17 C ATOM 572 CG ASP A 36 -2.574 14.637 13.368 1.00 17.97 C ATOM 573 OD1 ASP A 36 -1.385 14.638 13.097 1.00 25.89 O ATOM 574 OD2 ASP A 36 -3.020 14.862 14.481 1.00 15.67 O ATOM 0 H ASP A 36 -1.385 13.459 10.984 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.714 12.206 12.399 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.465 15.074 11.448 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.588 14.409 12.618 1.00 16.17 H new ATOM 579 N LEU A 37 -3.498 11.838 9.557 1.00 13.17 N ATOM 580 CA LEU A 37 -4.045 11.612 8.189 1.00 18.47 C ATOM 581 C LEU A 37 -5.515 11.192 8.263 1.00 21.14 C ATOM 582 O LEU A 37 -5.888 10.140 7.782 1.00 24.24 O ATOM 583 CB LEU A 37 -3.246 10.496 7.520 1.00 15.81 C ATOM 584 CG LEU A 37 -3.271 9.259 8.418 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.128 8.170 7.769 1.00 14.72 C ATOM 586 CD2 LEU A 37 -1.845 8.739 8.614 1.00 20.01 C ATOM 0 H LEU A 37 -2.745 11.204 9.824 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.969 12.537 7.617 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.671 10.261 6.544 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -2.218 10.818 7.351 1.00 15.81 H new ATOM 0 HG LEU A 37 -3.696 9.524 9.386 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.144 7.289 8.411 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -5.145 8.539 7.634 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.706 7.905 6.800 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -1.864 7.857 9.254 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -1.418 8.476 7.647 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -1.236 9.513 9.081 1.00 20.01 H new ATOM 598 N GLY A 38 -6.357 11.997 8.848 1.00 20.70 N ATOM 599 CA GLY A 38 -7.790 11.626 8.928 1.00 23.91 C ATOM 600 C GLY A 38 -8.147 11.230 10.365 1.00 26.50 C ATOM 601 O GLY A 38 -9.268 10.868 10.659 1.00 31.02 O ATOM 0 H GLY A 38 -6.113 12.892 9.272 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.410 12.463 8.608 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.999 10.798 8.251 1.00 23.91 H new ATOM 605 N ASN A 39 -7.203 11.310 11.265 1.00 27.64 N ATOM 606 CA ASN A 39 -7.481 10.956 12.678 1.00 30.27 C ATOM 607 C ASN A 39 -7.094 12.142 13.561 1.00 26.79 C ATOM 608 O ASN A 39 -5.938 12.343 13.873 1.00 26.87 O ATOM 609 CB ASN A 39 -6.670 9.720 13.083 1.00 35.62 C ATOM 610 CG ASN A 39 -6.706 8.686 11.956 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.445 8.833 11.002 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.932 7.635 12.026 1.00 39.63 N ATOM 0 H ASN A 39 -6.246 11.608 11.076 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.540 10.729 12.799 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.639 10.004 13.296 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.078 9.289 13.997 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.948 6.939 11.281 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.312 7.511 12.826 1.00 39.63 H new ATOM 619 N GLU A 40 -8.062 12.931 13.941 1.00 25.15 N ATOM 620 CA GLU A 40 -7.801 14.132 14.792 1.00 23.81 C ATOM 621 C GLU A 40 -6.633 13.875 15.738 1.00 21.12 C ATOM 622 O GLU A 40 -5.650 14.589 15.743 1.00 19.86 O ATOM 623 CB GLU A 40 -9.055 14.457 15.606 1.00 27.22 C ATOM 624 CG GLU A 40 -9.745 15.688 15.013 1.00 34.87 C ATOM 625 CD GLU A 40 -10.282 16.568 16.143 1.00 38.97 C ATOM 626 OE1 GLU A 40 -9.492 16.971 16.980 1.00 42.34 O ATOM 627 OE2 GLU A 40 -11.475 16.824 16.151 1.00 39.54 O ATOM 0 H GLU A 40 -9.042 12.793 13.694 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.548 14.973 14.146 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.737 13.606 15.599 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.788 14.643 16.646 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -9.041 16.253 14.401 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.561 15.381 14.359 1.00 34.87 H new ATOM 634 N HIS A 41 -6.734 12.858 16.529 1.00 5.13 N ATOM 635 CA HIS A 41 -5.627 12.536 17.478 1.00 4.73 C ATOM 636 C HIS A 41 -4.398 12.117 16.671 1.00 3.66 C ATOM 637 O HIS A 41 -4.528 11.614 15.573 1.00 2.68 O ATOM 638 CB HIS A 41 -6.053 11.388 18.396 1.00 5.10 C ATOM 639 CG HIS A 41 -7.464 11.613 18.864 1.00 4.65 C ATOM 640 ND1 HIS A 41 -7.955 12.877 19.153 1.00 4.00 N ATOM 641 CD2 HIS A 41 -8.502 10.745 19.101 1.00 5.68 C ATOM 642 CE1 HIS A 41 -9.235 12.736 19.544 1.00 4.11 C ATOM 643 NE2 HIS A 41 -9.618 11.456 19.530 1.00 5.64 N ATOM 0 H HIS A 41 -7.535 12.227 16.567 1.00 5.13 H new ATOM 0 HA HIS A 41 -5.394 13.410 18.087 1.00 4.73 H new ATOM 0 HB2 HIS A 41 -5.982 10.439 17.865 1.00 5.10 H new ATOM 0 HB3 HIS A 41 -5.381 11.325 19.252 1.00 5.10 H new ATOM 0 HD2 HIS A 41 -8.458 9.673 18.974 1.00 5.68 H new ATOM 0 HE1 HIS A 41 -9.874 13.557 19.834 1.00 4.11 H new ATOM 0 HE2 HIS A 41 -10.533 11.081 19.780 1.00 5.64 H new ATOM 651 N PRO A 42 -3.236 12.340 17.229 1.00 15.11 N ATOM 652 CA PRO A 42 -1.973 11.994 16.562 1.00 16.08 C ATOM 653 C PRO A 42 -1.722 10.492 16.664 1.00 17.92 C ATOM 654 O PRO A 42 -1.966 9.878 17.683 1.00 17.13 O ATOM 655 CB PRO A 42 -0.922 12.769 17.353 1.00 16.41 C ATOM 656 CG PRO A 42 -1.534 13.030 18.743 1.00 13.79 C ATOM 657 CD PRO A 42 -3.067 12.946 18.566 1.00 16.28 C ATOM 0 HA PRO A 42 -1.966 12.240 15.500 1.00 16.08 H new ATOM 0 HB2 PRO A 42 0.002 12.197 17.436 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.673 13.706 16.855 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.185 12.292 19.466 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.239 14.010 19.120 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.526 12.335 19.343 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.530 13.931 18.620 1.00 16.28 H new ATOM 665 N VAL A 43 -1.238 9.896 15.616 1.00 16.29 N ATOM 666 CA VAL A 43 -0.973 8.435 15.654 1.00 14.28 C ATOM 667 C VAL A 43 0.530 8.186 15.573 1.00 9.00 C ATOM 668 O VAL A 43 1.170 8.487 14.587 1.00 7.99 O ATOM 669 CB VAL A 43 -1.675 7.761 14.476 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.107 8.288 14.369 1.00 18.07 C ATOM 671 CG2 VAL A 43 -0.920 8.069 13.179 1.00 20.57 C ATOM 0 H VAL A 43 -1.014 10.357 14.734 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.354 8.019 16.586 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.693 6.683 14.635 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.609 7.808 13.529 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.646 8.065 15.290 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.087 9.366 14.212 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.424 7.587 12.341 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.899 9.147 13.018 1.00 20.57 H new ATOM 0 HG23 VAL A 43 0.100 7.693 13.254 1.00 20.57 H new ATOM 681 N LEU A 44 1.099 7.638 16.607 1.00 10.19 N ATOM 682 CA LEU A 44 2.560 7.378 16.592 1.00 11.55 C ATOM 683 C LEU A 44 2.870 6.212 15.656 1.00 10.61 C ATOM 684 O LEU A 44 2.699 5.059 15.999 1.00 13.49 O ATOM 685 CB LEU A 44 3.034 7.042 18.000 1.00 10.60 C ATOM 686 CG LEU A 44 4.532 6.760 17.968 1.00 13.48 C ATOM 687 CD1 LEU A 44 5.270 7.999 17.454 1.00 15.65 C ATOM 688 CD2 LEU A 44 5.020 6.422 19.379 1.00 20.21 C ATOM 0 H LEU A 44 0.615 7.359 17.461 1.00 10.19 H new ATOM 0 HA LEU A 44 3.078 8.269 16.238 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.822 7.870 18.676 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.496 6.174 18.381 1.00 10.60 H new ATOM 0 HG LEU A 44 4.730 5.917 17.306 1.00 13.48 H new ATOM 0 HD11 LEU A 44 6.341 7.800 17.430 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.923 8.238 16.449 1.00 15.65 H new ATOM 0 HD13 LEU A 44 5.072 8.841 18.117 1.00 15.65 H new ATOM 0 HD21 LEU A 44 6.091 6.221 19.355 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.824 7.264 20.043 1.00 20.21 H new ATOM 0 HD23 LEU A 44 4.493 5.541 19.745 1.00 20.21 H new ATOM 700 N VAL A 45 3.337 6.510 14.480 1.00 10.81 N ATOM 701 CA VAL A 45 3.676 5.435 13.512 1.00 9.29 C ATOM 702 C VAL A 45 5.178 5.201 13.539 1.00 9.95 C ATOM 703 O VAL A 45 5.880 5.685 14.405 1.00 9.36 O ATOM 704 CB VAL A 45 3.241 5.844 12.103 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.853 6.484 12.162 1.00 7.95 C ATOM 706 CG2 VAL A 45 4.240 6.849 11.514 1.00 10.20 C ATOM 0 H VAL A 45 3.500 7.459 14.145 1.00 10.81 H new ATOM 0 HA VAL A 45 3.155 4.518 13.788 1.00 9.29 H new ATOM 0 HB VAL A 45 3.210 4.957 11.470 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.544 6.775 11.158 1.00 7.95 H new ATOM 0 HG12 VAL A 45 1.139 5.768 12.568 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.886 7.366 12.802 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.921 7.134 10.511 1.00 10.20 H new ATOM 0 HG22 VAL A 45 4.281 7.735 12.147 1.00 10.20 H new ATOM 0 HG23 VAL A 45 5.229 6.393 11.465 1.00 10.20 H new ATOM 716 N LYS A 46 5.675 4.456 12.604 1.00 10.76 N ATOM 717 CA LYS A 46 7.134 4.181 12.586 1.00 12.81 C ATOM 718 C LYS A 46 7.821 4.964 11.465 1.00 13.35 C ATOM 719 O LYS A 46 7.194 5.678 10.707 1.00 12.90 O ATOM 720 CB LYS A 46 7.370 2.684 12.376 1.00 17.04 C ATOM 721 CG LYS A 46 6.574 1.890 13.412 1.00 26.60 C ATOM 722 CD LYS A 46 7.382 0.666 13.848 1.00 33.77 C ATOM 723 CE LYS A 46 8.031 0.940 15.205 1.00 34.48 C ATOM 724 NZ LYS A 46 7.173 0.381 16.287 1.00 36.74 N ATOM 0 H LYS A 46 5.139 4.025 11.851 1.00 10.76 H new ATOM 0 HA LYS A 46 7.556 4.494 13.541 1.00 12.81 H new ATOM 0 HB2 LYS A 46 7.066 2.395 11.370 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.432 2.457 12.466 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.351 2.518 14.275 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.619 1.577 12.990 1.00 26.60 H new ATOM 0 HD2 LYS A 46 6.733 -0.207 13.913 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.148 0.439 13.106 1.00 33.77 H new ATOM 0 HE2 LYS A 46 9.023 0.490 15.243 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.162 2.013 15.348 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 7.614 0.567 17.210 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 6.236 0.830 16.254 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 7.070 -0.645 16.153 1.00 36.74 H new ATOM 738 N ILE A 47 9.116 4.825 11.366 1.00 13.96 N ATOM 739 CA ILE A 47 9.886 5.540 10.312 1.00 16.93 C ATOM 740 C ILE A 47 11.202 4.785 10.083 1.00 16.52 C ATOM 741 O ILE A 47 11.677 4.075 10.946 1.00 17.67 O ATOM 742 CB ILE A 47 10.156 6.989 10.773 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.172 7.930 10.080 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.585 7.428 10.418 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.534 8.034 8.598 1.00 18.26 C ATOM 0 H ILE A 47 9.679 4.237 11.981 1.00 13.96 H new ATOM 0 HA ILE A 47 9.325 5.577 9.378 1.00 16.93 H new ATOM 0 HB ILE A 47 10.034 7.029 11.855 1.00 19.74 H new ATOM 0 HG12 ILE A 47 8.154 7.558 10.193 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.204 8.916 10.545 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.745 8.452 10.755 1.00 18.08 H new ATOM 0 HG22 ILE A 47 12.301 6.768 10.909 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.724 7.375 9.338 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.835 8.705 8.099 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.546 8.425 8.497 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.479 7.046 8.140 1.00 18.26 H new ATOM 757 N THR A 48 11.796 4.936 8.932 1.00 16.86 N ATOM 758 CA THR A 48 13.077 4.228 8.663 1.00 16.59 C ATOM 759 C THR A 48 14.215 5.247 8.578 1.00 19.04 C ATOM 760 O THR A 48 14.785 5.478 7.529 1.00 22.56 O ATOM 761 CB THR A 48 12.973 3.460 7.347 1.00 16.30 C ATOM 762 OG1 THR A 48 11.608 3.367 6.961 1.00 17.90 O ATOM 763 CG2 THR A 48 13.550 2.059 7.534 1.00 16.02 C ATOM 0 H THR A 48 11.450 5.517 8.168 1.00 16.86 H new ATOM 0 HA THR A 48 13.280 3.526 9.472 1.00 16.59 H new ATOM 0 HB THR A 48 13.533 3.983 6.571 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.498 2.633 6.321 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.478 1.508 6.597 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.596 2.133 7.832 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.989 1.535 8.308 1.00 16.02 H new ATOM 771 N LEU A 49 14.547 5.855 9.681 1.00 18.35 N ATOM 772 CA LEU A 49 15.644 6.860 9.698 1.00 18.82 C ATOM 773 C LEU A 49 16.811 6.350 8.848 1.00 20.06 C ATOM 774 O LEU A 49 17.431 5.353 9.161 1.00 18.35 O ATOM 775 CB LEU A 49 16.094 7.064 11.152 1.00 18.79 C ATOM 776 CG LEU A 49 16.962 8.322 11.302 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.424 7.975 11.008 1.00 20.41 C ATOM 778 CD2 LEU A 49 16.497 9.422 10.340 1.00 14.50 C ATOM 0 H LEU A 49 14.099 5.696 10.583 1.00 18.35 H new ATOM 0 HA LEU A 49 15.300 7.809 9.286 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.219 7.146 11.797 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.655 6.191 11.486 1.00 18.79 H new ATOM 0 HG LEU A 49 16.866 8.688 12.324 1.00 18.24 H new ATOM 0 HD11 LEU A 49 19.039 8.869 11.115 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.765 7.214 11.709 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.510 7.595 9.990 1.00 20.41 H new ATOM 0 HD21 LEU A 49 17.126 10.303 10.464 1.00 14.50 H new ATOM 0 HD22 LEU A 49 16.573 9.063 9.313 1.00 14.50 H new ATOM 0 HD23 LEU A 49 15.461 9.682 10.558 1.00 14.50 H new ATOM 790 N ASP A 50 17.105 7.021 7.767 1.00 22.62 N ATOM 791 CA ASP A 50 18.220 6.573 6.886 1.00 27.04 C ATOM 792 C ASP A 50 19.521 6.500 7.689 1.00 27.73 C ATOM 793 O ASP A 50 19.710 7.216 8.652 1.00 26.65 O ATOM 794 CB ASP A 50 18.388 7.565 5.734 1.00 29.11 C ATOM 795 CG ASP A 50 18.565 6.798 4.422 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.421 5.929 4.378 1.00 30.76 O ATOM 797 OD2 ASP A 50 17.842 7.092 3.485 1.00 33.99 O ATOM 0 H ASP A 50 16.619 7.862 7.456 1.00 22.62 H new ATOM 0 HA ASP A 50 17.988 5.585 6.488 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.517 8.217 5.672 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.253 8.204 5.913 1.00 29.11 H new ATOM 802 N GLU A 51 20.420 5.640 7.293 1.00 31.16 N ATOM 803 CA GLU A 51 21.711 5.518 8.024 1.00 34.22 C ATOM 804 C GLU A 51 22.480 6.835 7.911 1.00 34.98 C ATOM 805 O GLU A 51 22.843 7.261 6.833 1.00 34.19 O ATOM 806 CB GLU A 51 22.538 4.388 7.409 1.00 38.24 C ATOM 807 CG GLU A 51 23.611 3.936 8.402 1.00 46.84 C ATOM 808 CD GLU A 51 24.835 3.432 7.636 1.00 51.38 C ATOM 809 OE1 GLU A 51 24.719 2.411 6.978 1.00 53.83 O ATOM 810 OE2 GLU A 51 25.868 4.075 7.720 1.00 54.92 O ATOM 0 H GLU A 51 20.315 5.016 6.493 1.00 31.16 H new ATOM 0 HA GLU A 51 21.520 5.296 9.074 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.891 3.550 7.151 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.004 4.727 6.484 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.892 4.764 9.053 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.219 3.146 9.043 1.00 46.84 H new ATOM 817 N GLY A 52 22.727 7.485 9.013 1.00 34.53 N ATOM 818 CA GLY A 52 23.467 8.777 8.964 1.00 34.93 C ATOM 819 C GLY A 52 22.468 9.933 9.000 1.00 36.10 C ATOM 820 O GLY A 52 22.775 11.018 9.454 1.00 35.97 O ATOM 0 H GLY A 52 22.449 7.178 9.945 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.154 8.848 9.808 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.070 8.830 8.057 1.00 34.93 H new ATOM 824 N GLN A 53 21.272 9.710 8.527 1.00 36.52 N ATOM 825 CA GLN A 53 20.254 10.797 8.537 1.00 35.40 C ATOM 826 C GLN A 53 19.839 11.088 9.982 1.00 31.02 C ATOM 827 O GLN A 53 19.799 10.195 10.805 1.00 29.05 O ATOM 828 CB GLN A 53 19.029 10.361 7.728 1.00 41.20 C ATOM 829 CG GLN A 53 18.956 11.182 6.438 1.00 47.61 C ATOM 830 CD GLN A 53 17.552 11.075 5.840 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.399 10.863 4.654 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.512 11.215 6.617 1.00 54.76 N ATOM 0 H GLN A 53 20.957 8.823 8.135 1.00 36.52 H new ATOM 0 HA GLN A 53 20.677 11.697 8.091 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.093 9.299 7.493 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.122 10.503 8.315 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.196 12.225 6.645 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.695 10.821 5.723 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.640 11.393 7.613 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.572 11.146 6.228 1.00 54.76 H new ATOM 841 N PRO A 54 19.545 12.336 10.247 1.00 27.43 N ATOM 842 CA PRO A 54 19.132 12.786 11.587 1.00 23.44 C ATOM 843 C PRO A 54 17.670 12.416 11.854 1.00 20.14 C ATOM 844 O PRO A 54 16.775 12.835 11.148 1.00 21.64 O ATOM 845 CB PRO A 54 19.311 14.303 11.529 1.00 24.39 C ATOM 846 CG PRO A 54 19.270 14.687 10.035 1.00 27.18 C ATOM 847 CD PRO A 54 19.596 13.411 9.238 1.00 28.37 C ATOM 0 HA PRO A 54 19.709 12.325 12.388 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.520 14.809 12.082 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.257 14.600 11.981 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.288 15.073 9.762 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.993 15.473 9.818 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.873 13.244 8.440 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.579 13.473 8.770 1.00 28.37 H new ATOM 855 N ALA A 55 17.425 11.629 12.868 1.00 17.21 N ATOM 856 CA ALA A 55 16.028 11.225 13.186 1.00 15.58 C ATOM 857 C ALA A 55 15.087 12.423 13.030 1.00 16.41 C ATOM 858 O ALA A 55 15.440 13.546 13.331 1.00 13.65 O ATOM 859 CB ALA A 55 15.970 10.725 14.630 1.00 13.98 C ATOM 0 H ALA A 55 18.137 11.248 13.491 1.00 17.21 H new ATOM 0 HA ALA A 55 15.717 10.435 12.502 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.950 10.427 14.871 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.635 9.869 14.746 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.284 11.522 15.304 1.00 13.98 H new ATOM 865 N TYR A 56 13.887 12.190 12.569 1.00 15.93 N ATOM 866 CA TYR A 56 12.922 13.314 12.404 1.00 14.61 C ATOM 867 C TYR A 56 12.957 14.193 13.656 1.00 15.51 C ATOM 868 O TYR A 56 12.484 13.808 14.705 1.00 17.19 O ATOM 869 CB TYR A 56 11.505 12.757 12.225 1.00 12.92 C ATOM 870 CG TYR A 56 11.373 12.057 10.884 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.427 12.082 9.961 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.188 11.385 10.575 1.00 12.42 C ATOM 873 CE1 TYR A 56 12.291 11.433 8.728 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.052 10.737 9.347 1.00 11.47 C ATOM 875 CZ TYR A 56 11.102 10.760 8.420 1.00 10.29 C ATOM 876 OH TYR A 56 10.966 10.119 7.206 1.00 12.03 O ATOM 0 H TYR A 56 13.534 11.271 12.300 1.00 15.93 H new ATOM 0 HA TYR A 56 13.196 13.900 11.527 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.278 12.058 13.030 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.779 13.567 12.292 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.343 12.601 10.200 1.00 7.14 H new ATOM 0 HD2 TYR A 56 9.376 11.367 11.287 1.00 12.42 H new ATOM 0 HE1 TYR A 56 13.102 11.451 8.015 1.00 7.90 H new ATOM 0 HE2 TYR A 56 9.136 10.217 9.111 1.00 11.47 H new ATOM 0 HH TYR A 56 11.844 9.810 6.899 1.00 12.03 H new ATOM 886 N ALA A 57 13.510 15.371 13.559 1.00 13.38 N ATOM 887 CA ALA A 57 13.560 16.260 14.753 1.00 14.95 C ATOM 888 C ALA A 57 12.133 16.526 15.238 1.00 15.46 C ATOM 889 O ALA A 57 11.180 16.129 14.597 1.00 17.82 O ATOM 890 CB ALA A 57 14.229 17.584 14.378 1.00 14.98 C ATOM 0 H ALA A 57 13.927 15.754 12.710 1.00 13.38 H new ATOM 0 HA ALA A 57 14.134 15.780 15.545 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.265 18.234 15.252 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.243 17.393 14.026 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.656 18.070 13.588 1.00 14.98 H new ATOM 896 N PRO A 58 12.027 17.193 16.358 1.00 15.20 N ATOM 897 CA PRO A 58 10.724 17.530 16.956 1.00 16.55 C ATOM 898 C PRO A 58 10.097 18.713 16.214 1.00 16.75 C ATOM 899 O PRO A 58 10.571 19.828 16.295 1.00 17.28 O ATOM 900 CB PRO A 58 11.077 17.908 18.397 1.00 15.65 C ATOM 901 CG PRO A 58 12.571 18.310 18.389 1.00 14.16 C ATOM 902 CD PRO A 58 13.191 17.674 17.129 1.00 13.96 C ATOM 0 HA PRO A 58 9.999 16.718 16.904 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.455 18.732 18.746 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.904 17.070 19.072 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.680 19.394 18.370 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.073 17.955 19.289 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.773 18.400 16.561 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.865 16.856 17.386 1.00 13.96 H new ATOM 910 N GLY A 59 9.040 18.478 15.486 1.00 17.22 N ATOM 911 CA GLY A 59 8.396 19.593 14.738 1.00 15.08 C ATOM 912 C GLY A 59 7.177 19.071 13.974 1.00 14.96 C ATOM 913 O GLY A 59 6.848 17.905 14.035 1.00 13.79 O ATOM 0 H GLY A 59 8.596 17.566 15.377 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.094 20.380 15.429 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.109 20.036 14.043 1.00 15.08 H new ATOM 917 N LEU A 60 6.510 19.929 13.247 1.00 15.83 N ATOM 918 CA LEU A 60 5.323 19.485 12.463 1.00 14.53 C ATOM 919 C LEU A 60 5.812 18.764 11.210 1.00 14.15 C ATOM 920 O LEU A 60 6.783 19.167 10.604 1.00 13.27 O ATOM 921 CB LEU A 60 4.501 20.710 12.054 1.00 15.84 C ATOM 922 CG LEU A 60 3.037 20.489 12.423 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.291 21.824 12.380 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.403 19.516 11.426 1.00 15.01 C ATOM 0 H LEU A 60 6.738 20.920 13.163 1.00 15.83 H new ATOM 0 HA LEU A 60 4.704 18.817 13.063 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.882 21.600 12.554 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.595 20.882 10.982 1.00 15.84 H new ATOM 0 HG LEU A 60 2.974 20.072 13.428 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.245 21.665 12.644 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.743 22.516 13.090 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.352 22.243 11.376 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.357 19.357 11.688 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.466 19.933 10.421 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.934 18.565 11.458 1.00 15.01 H new ATOM 936 N TYR A 61 5.170 17.699 10.811 1.00 11.12 N ATOM 937 CA TYR A 61 5.644 16.982 9.601 1.00 9.57 C ATOM 938 C TYR A 61 4.518 16.724 8.623 1.00 11.76 C ATOM 939 O TYR A 61 3.347 16.785 8.943 1.00 11.26 O ATOM 940 CB TYR A 61 6.267 15.651 9.997 1.00 9.42 C ATOM 941 CG TYR A 61 7.673 15.903 10.443 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.908 16.604 11.625 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.743 15.452 9.663 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.216 16.857 12.034 1.00 13.99 C ATOM 945 CE2 TYR A 61 10.053 15.704 10.071 1.00 13.03 C ATOM 946 CZ TYR A 61 10.286 16.407 11.256 1.00 11.06 C ATOM 947 OH TYR A 61 11.581 16.654 11.668 1.00 14.61 O ATOM 0 H TYR A 61 4.348 17.301 11.266 1.00 11.12 H new ATOM 0 HA TYR A 61 6.384 17.618 9.115 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.692 15.186 10.798 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.254 14.960 9.154 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.078 16.950 12.223 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.556 14.910 8.748 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.402 17.399 12.949 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.883 15.357 9.474 1.00 13.03 H new ATOM 0 HH TYR A 61 11.608 16.708 12.646 1.00 14.61 H new ATOM 957 N THR A 62 4.897 16.405 7.427 1.00 12.22 N ATOM 958 CA THR A 62 3.920 16.094 6.370 1.00 14.26 C ATOM 959 C THR A 62 4.550 15.023 5.506 1.00 15.40 C ATOM 960 O THR A 62 5.628 15.199 4.972 1.00 16.24 O ATOM 961 CB THR A 62 3.637 17.334 5.536 1.00 15.07 C ATOM 962 OG1 THR A 62 4.810 17.706 4.826 1.00 18.36 O ATOM 963 CG2 THR A 62 3.210 18.472 6.459 1.00 11.61 C ATOM 0 H THR A 62 5.872 16.346 7.133 1.00 12.22 H new ATOM 0 HA THR A 62 2.975 15.757 6.795 1.00 14.26 H new ATOM 0 HB THR A 62 2.839 17.124 4.824 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.488 17.005 4.924 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.006 19.364 5.867 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.310 18.182 7.001 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.009 18.684 7.169 1.00 11.61 H new ATOM 971 N VAL A 63 3.918 13.908 5.384 1.00 14.65 N ATOM 972 CA VAL A 63 4.525 12.831 4.576 1.00 15.17 C ATOM 973 C VAL A 63 4.920 13.388 3.215 1.00 14.24 C ATOM 974 O VAL A 63 4.544 14.481 2.843 1.00 19.13 O ATOM 975 CB VAL A 63 3.548 11.677 4.415 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.333 10.417 4.065 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.795 11.461 5.733 1.00 18.64 C ATOM 0 H VAL A 63 3.014 13.692 5.804 1.00 14.65 H new ATOM 0 HA VAL A 63 5.414 12.455 5.083 1.00 15.17 H new ATOM 0 HB VAL A 63 2.832 11.901 3.624 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.644 9.580 3.946 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.877 10.574 3.134 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.040 10.195 4.865 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.094 10.634 5.620 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.507 11.228 6.525 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.248 12.368 5.992 1.00 18.64 H new ATOM 987 N HIS A 64 5.686 12.648 2.477 1.00 13.31 N ATOM 988 CA HIS A 64 6.127 13.129 1.142 1.00 10.78 C ATOM 989 C HIS A 64 5.815 12.053 0.102 1.00 14.19 C ATOM 990 O HIS A 64 6.189 10.903 0.256 1.00 11.59 O ATOM 991 CB HIS A 64 7.634 13.399 1.173 1.00 11.86 C ATOM 992 CG HIS A 64 7.999 14.410 0.119 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.361 14.463 -1.111 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.950 15.400 0.089 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.933 15.446 -1.824 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.908 16.053 -1.140 1.00 20.65 N ATOM 0 H HIS A 64 6.030 11.724 2.740 1.00 13.31 H new ATOM 0 HA HIS A 64 5.604 14.050 0.884 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.926 13.766 2.157 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.181 12.472 1.004 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.628 15.636 0.896 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.641 15.714 -2.829 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.495 16.827 -1.451 1.00 20.65 H new ATOM 1004 N LEU A 65 5.132 12.414 -0.955 1.00 12.93 N ATOM 1005 CA LEU A 65 4.793 11.415 -2.003 1.00 14.44 C ATOM 1006 C LEU A 65 6.054 11.026 -2.785 1.00 12.66 C ATOM 1007 O LEU A 65 6.004 10.213 -3.687 1.00 10.20 O ATOM 1008 CB LEU A 65 3.740 12.005 -2.949 1.00 14.94 C ATOM 1009 CG LEU A 65 4.414 12.875 -3.994 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.382 12.155 -5.344 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.684 14.214 -4.107 1.00 19.03 C ATOM 0 H LEU A 65 4.796 13.360 -1.134 1.00 12.93 H new ATOM 0 HA LEU A 65 4.388 10.519 -1.532 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.184 11.203 -3.435 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.019 12.594 -2.383 1.00 14.94 H new ATOM 0 HG LEU A 65 5.447 13.059 -3.701 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.865 12.776 -6.099 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.911 11.205 -5.262 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.347 11.971 -5.634 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.174 14.833 -4.859 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.648 14.040 -4.398 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.709 14.725 -3.144 1.00 19.03 H new ATOM 1023 N SER A 66 7.190 11.578 -2.440 1.00 13.51 N ATOM 1024 CA SER A 66 8.434 11.206 -3.161 1.00 10.39 C ATOM 1025 C SER A 66 8.607 9.693 -3.043 1.00 8.56 C ATOM 1026 O SER A 66 9.350 9.075 -3.778 1.00 11.70 O ATOM 1027 CB SER A 66 9.630 11.908 -2.516 1.00 12.88 C ATOM 1028 OG SER A 66 10.822 11.209 -2.852 1.00 14.72 O ATOM 0 H SER A 66 7.305 12.265 -1.695 1.00 13.51 H new ATOM 0 HA SER A 66 8.373 11.505 -4.207 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.690 12.940 -2.861 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.507 11.941 -1.433 1.00 12.88 H new ATOM 0 HG SER A 66 11.488 11.842 -3.193 1.00 14.72 H new ATOM 1034 N SER A 67 7.919 9.100 -2.102 1.00 7.98 N ATOM 1035 CA SER A 67 8.024 7.632 -1.895 1.00 8.20 C ATOM 1036 C SER A 67 6.860 6.910 -2.588 1.00 11.02 C ATOM 1037 O SER A 67 6.802 5.697 -2.610 1.00 11.45 O ATOM 1038 CB SER A 67 7.981 7.339 -0.397 1.00 8.01 C ATOM 1039 OG SER A 67 8.960 8.135 0.258 1.00 11.22 O ATOM 0 H SER A 67 7.283 9.579 -1.464 1.00 7.98 H new ATOM 0 HA SER A 67 8.962 7.276 -2.322 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.990 7.557 0.001 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.172 6.281 -0.214 1.00 8.01 H new ATOM 0 HG SER A 67 9.301 7.655 1.042 1.00 11.22 H new ATOM 1045 N PHE A 68 5.923 7.638 -3.138 1.00 10.09 N ATOM 1046 CA PHE A 68 4.763 6.974 -3.802 1.00 11.79 C ATOM 1047 C PHE A 68 5.138 6.587 -5.232 1.00 12.69 C ATOM 1048 O PHE A 68 6.065 7.117 -5.810 1.00 14.25 O ATOM 1049 CB PHE A 68 3.566 7.932 -3.832 1.00 10.08 C ATOM 1050 CG PHE A 68 3.295 8.480 -2.448 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.018 8.021 -1.334 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.335 9.486 -2.287 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.777 8.569 -0.072 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.100 10.035 -1.024 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.822 9.577 0.081 1.00 11.87 C ATOM 0 H PHE A 68 5.911 8.658 -3.156 1.00 10.09 H new ATOM 0 HA PHE A 68 4.497 6.078 -3.242 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.765 8.752 -4.522 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.684 7.410 -4.203 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.760 7.245 -1.453 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.775 9.838 -3.141 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.329 8.213 0.785 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.361 10.813 -0.902 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.641 10.004 1.057 1.00 11.87 H new ATOM 1065 N LYS A 69 4.417 5.664 -5.805 1.00 12.51 N ATOM 1066 CA LYS A 69 4.718 5.234 -7.199 1.00 15.38 C ATOM 1067 C LYS A 69 3.423 4.802 -7.885 1.00 15.02 C ATOM 1068 O LYS A 69 2.380 4.715 -7.267 1.00 15.36 O ATOM 1069 CB LYS A 69 5.691 4.053 -7.170 1.00 16.04 C ATOM 1070 CG LYS A 69 7.049 4.516 -6.641 1.00 20.35 C ATOM 1071 CD LYS A 69 8.080 3.402 -6.838 1.00 21.35 C ATOM 1072 CE LYS A 69 9.393 3.792 -6.158 1.00 30.24 C ATOM 1073 NZ LYS A 69 9.713 5.213 -6.473 1.00 32.70 N ATOM 0 H LYS A 69 3.629 5.187 -5.366 1.00 12.51 H new ATOM 0 HA LYS A 69 5.166 6.063 -7.747 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.295 3.259 -6.537 1.00 16.04 H new ATOM 0 HB3 LYS A 69 5.803 3.637 -8.171 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.367 5.417 -7.165 1.00 20.35 H new ATOM 0 HG3 LYS A 69 6.972 4.772 -5.584 1.00 20.35 H new ATOM 0 HD2 LYS A 69 7.705 2.468 -6.419 1.00 21.35 H new ATOM 0 HD3 LYS A 69 8.246 3.231 -7.901 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.310 3.657 -5.080 1.00 30.24 H new ATOM 0 HE3 LYS A 69 10.199 3.142 -6.500 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.727 5.384 -6.315 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 9.480 5.409 -7.467 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 9.156 5.839 -5.857 1.00 32.70 H new ATOM 1087 N VAL A 70 3.481 4.522 -9.156 1.00 13.65 N ATOM 1088 CA VAL A 70 2.253 4.086 -9.877 1.00 13.49 C ATOM 1089 C VAL A 70 2.359 2.590 -10.178 1.00 11.85 C ATOM 1090 O VAL A 70 3.226 2.153 -10.909 1.00 12.13 O ATOM 1091 CB VAL A 70 2.105 4.859 -11.188 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.619 5.013 -11.521 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.744 6.246 -11.060 1.00 15.63 C ATOM 0 H VAL A 70 4.325 4.576 -9.727 1.00 13.65 H new ATOM 0 HA VAL A 70 1.381 4.283 -9.253 1.00 13.49 H new ATOM 0 HB VAL A 70 2.608 4.309 -11.984 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.511 5.564 -12.455 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.166 4.027 -11.626 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.121 5.558 -10.719 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.632 6.786 -12.000 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.252 6.801 -10.261 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.803 6.138 -10.827 1.00 15.63 H new ATOM 1103 N GLY A 71 1.488 1.800 -9.615 1.00 11.15 N ATOM 1104 CA GLY A 71 1.543 0.329 -9.862 1.00 11.07 C ATOM 1105 C GLY A 71 1.351 0.047 -11.353 1.00 12.15 C ATOM 1106 O GLY A 71 1.112 0.943 -12.138 1.00 12.70 O ATOM 0 H GLY A 71 0.740 2.108 -8.994 1.00 11.15 H new ATOM 0 HA2 GLY A 71 2.501 -0.070 -9.527 1.00 11.07 H new ATOM 0 HA3 GLY A 71 0.768 -0.175 -9.284 1.00 11.07 H new ATOM 1110 N GLN A 72 1.454 -1.194 -11.752 1.00 15.78 N ATOM 1111 CA GLN A 72 1.278 -1.530 -13.190 1.00 19.42 C ATOM 1112 C GLN A 72 -0.203 -1.737 -13.494 1.00 16.97 C ATOM 1113 O GLN A 72 -0.575 -2.231 -14.540 1.00 20.46 O ATOM 1114 CB GLN A 72 2.057 -2.801 -13.516 1.00 22.64 C ATOM 1115 CG GLN A 72 1.384 -3.983 -12.831 1.00 25.29 C ATOM 1116 CD GLN A 72 2.321 -4.566 -11.773 1.00 26.29 C ATOM 1117 OE1 GLN A 72 3.244 -5.288 -12.093 1.00 26.22 O ATOM 1118 NE2 GLN A 72 2.120 -4.281 -10.516 1.00 25.15 N ATOM 0 H GLN A 72 1.652 -1.987 -11.142 1.00 15.78 H new ATOM 0 HA GLN A 72 1.655 -0.710 -13.802 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.088 -2.958 -14.594 1.00 22.64 H new ATOM 0 HB3 GLN A 72 3.089 -2.707 -13.178 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.450 -3.664 -12.368 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.131 -4.746 -13.567 1.00 25.29 H new ATOM 0 HE21 GLN A 72 1.345 -3.675 -10.248 1.00 25.15 H new ATOM 0 HE22 GLN A 72 2.738 -4.664 -9.801 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.048 -1.353 -12.586 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.512 -1.511 -12.806 1.00 14.60 C ATOM 1129 C PHE A 73 -3.190 -0.148 -12.674 1.00 15.63 C ATOM 1130 O PHE A 73 -4.383 -0.051 -12.468 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.082 -2.468 -11.761 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.707 -3.648 -12.460 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.848 -3.469 -13.252 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -3.147 -4.924 -12.318 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -5.429 -4.565 -13.901 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -3.729 -6.020 -12.967 1.00 20.44 C ATOM 1137 CZ PHE A 73 -4.869 -5.840 -13.759 1.00 17.88 C ATOM 0 H PHE A 73 -0.789 -0.933 -11.693 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.693 -1.914 -13.802 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -2.292 -2.804 -11.089 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.825 -1.957 -11.149 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.280 -2.485 -13.362 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -2.267 -5.063 -11.708 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -6.309 -4.427 -14.511 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -3.298 -7.004 -12.856 1.00 20.44 H new ATOM 0 HZ PHE A 73 -5.317 -6.685 -14.261 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.433 0.907 -12.795 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.023 2.270 -12.679 1.00 13.44 C ATOM 1149 C GLY A 74 -3.497 2.509 -11.244 1.00 10.42 C ATOM 1150 O GLY A 74 -4.652 2.798 -11.003 1.00 13.62 O ATOM 0 H GLY A 74 -1.428 0.884 -12.970 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.284 3.021 -12.957 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.859 2.374 -13.370 1.00 13.44 H new ATOM 1154 N SER A 75 -2.617 2.390 -10.288 1.00 12.64 N ATOM 1155 CA SER A 75 -3.025 2.613 -8.871 1.00 12.47 C ATOM 1156 C SER A 75 -1.864 3.229 -8.086 1.00 12.47 C ATOM 1157 O SER A 75 -0.734 2.795 -8.186 1.00 11.32 O ATOM 1158 CB SER A 75 -3.410 1.275 -8.238 1.00 11.21 C ATOM 1159 OG SER A 75 -3.499 1.432 -6.828 1.00 18.27 O ATOM 0 H SER A 75 -1.636 2.149 -10.426 1.00 12.64 H new ATOM 0 HA SER A 75 -3.877 3.292 -8.845 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.364 0.931 -8.638 1.00 11.21 H new ATOM 0 HB3 SER A 75 -2.668 0.516 -8.485 1.00 11.21 H new ATOM 0 HG SER A 75 -3.747 0.577 -6.419 1.00 18.27 H new ATOM 1165 N LEU A 76 -2.136 4.236 -7.299 1.00 12.43 N ATOM 1166 CA LEU A 76 -1.051 4.876 -6.501 1.00 12.18 C ATOM 1167 C LEU A 76 -0.722 3.986 -5.300 1.00 12.07 C ATOM 1168 O LEU A 76 -1.589 3.345 -4.739 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.519 6.248 -6.008 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.347 7.230 -6.036 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.694 8.415 -6.940 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.072 7.734 -4.616 1.00 7.80 C ATOM 0 H LEU A 76 -3.063 4.643 -7.175 1.00 12.43 H new ATOM 0 HA LEU A 76 -0.163 5.000 -7.121 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -2.329 6.615 -6.638 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.914 6.166 -4.995 1.00 11.99 H new ATOM 0 HG LEU A 76 0.540 6.727 -6.422 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.142 9.115 -6.960 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.891 8.056 -7.950 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.580 8.919 -6.555 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.763 8.434 -4.634 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.959 8.237 -4.230 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.176 6.890 -3.972 1.00 7.80 H new ATOM 1184 N MET A 77 0.520 3.933 -4.900 1.00 14.08 N ATOM 1185 CA MET A 77 0.888 3.074 -3.738 1.00 14.12 C ATOM 1186 C MET A 77 2.188 3.578 -3.108 1.00 11.37 C ATOM 1187 O MET A 77 3.221 3.625 -3.746 1.00 11.44 O ATOM 1188 CB MET A 77 1.089 1.629 -4.207 1.00 16.48 C ATOM 1189 CG MET A 77 0.133 1.315 -5.360 1.00 24.75 C ATOM 1190 SD MET A 77 0.505 -0.329 -6.018 1.00 35.11 S ATOM 1191 CE MET A 77 2.180 0.035 -6.598 1.00 33.86 C ATOM 0 H MET A 77 1.293 4.445 -5.326 1.00 14.08 H new ATOM 0 HA MET A 77 0.085 3.115 -3.002 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.120 1.482 -4.529 1.00 16.48 H new ATOM 0 HB3 MET A 77 0.912 0.942 -3.380 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.899 1.355 -5.012 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.234 2.064 -6.145 1.00 24.75 H new ATOM 0 HE1 MET A 77 2.469 -0.694 -7.355 1.00 33.86 H new ATOM 0 HE2 MET A 77 2.206 1.036 -7.029 1.00 33.86 H new ATOM 0 HE3 MET A 77 2.875 -0.018 -5.760 1.00 33.86 H new ATOM 1201 N ILE A 78 2.148 3.944 -1.856 1.00 11.78 N ATOM 1202 CA ILE A 78 3.383 4.431 -1.182 1.00 11.62 C ATOM 1203 C ILE A 78 4.426 3.310 -1.161 1.00 11.45 C ATOM 1204 O ILE A 78 4.121 2.173 -0.861 1.00 12.59 O ATOM 1205 CB ILE A 78 3.070 4.805 0.261 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.077 5.968 0.304 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.362 5.206 0.971 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.847 5.555 1.116 1.00 13.67 C ATOM 0 H ILE A 78 1.313 3.927 -1.271 1.00 11.78 H new ATOM 0 HA ILE A 78 3.760 5.298 -1.724 1.00 11.62 H new ATOM 0 HB ILE A 78 2.626 3.946 0.763 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.545 6.844 0.752 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.782 6.247 -0.708 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.141 5.474 2.004 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.061 4.370 0.955 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.807 6.061 0.461 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.138 6.382 1.148 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.376 4.691 0.648 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.151 5.298 2.131 1.00 13.67 H new ATOM 1220 N ASP A 79 5.656 3.623 -1.446 1.00 10.05 N ATOM 1221 CA ASP A 79 6.722 2.577 -1.408 1.00 14.79 C ATOM 1222 C ASP A 79 7.482 2.719 -0.090 1.00 15.20 C ATOM 1223 O ASP A 79 7.977 1.764 0.475 1.00 18.10 O ATOM 1224 CB ASP A 79 7.684 2.769 -2.583 1.00 12.21 C ATOM 1225 CG ASP A 79 8.260 1.413 -2.997 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.206 0.974 -2.363 1.00 24.06 O ATOM 1227 OD2 ASP A 79 7.744 0.835 -3.940 1.00 21.87 O ATOM 0 H ASP A 79 5.974 4.557 -1.704 1.00 10.05 H new ATOM 0 HA ASP A 79 6.277 1.585 -1.483 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.162 3.226 -3.423 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.489 3.447 -2.301 1.00 12.21 H new ATOM 1232 N ARG A 80 7.549 3.920 0.399 1.00 17.08 N ATOM 1233 CA ARG A 80 8.240 4.201 1.686 1.00 17.14 C ATOM 1234 C ARG A 80 8.042 5.679 1.985 1.00 14.98 C ATOM 1235 O ARG A 80 8.944 6.483 1.872 1.00 16.47 O ATOM 1236 CB ARG A 80 9.733 3.880 1.572 1.00 17.78 C ATOM 1237 CG ARG A 80 10.385 3.981 2.953 1.00 22.76 C ATOM 1238 CD ARG A 80 10.565 2.578 3.537 1.00 28.43 C ATOM 1239 NE ARG A 80 9.433 2.271 4.455 1.00 33.10 N ATOM 1240 CZ ARG A 80 9.204 1.040 4.826 1.00 30.84 C ATOM 1241 NH1 ARG A 80 9.971 0.073 4.401 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.207 0.776 5.625 1.00 35.04 N ATOM 0 H ARG A 80 7.144 4.741 -0.050 1.00 17.08 H new ATOM 0 HA ARG A 80 7.831 3.584 2.486 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.870 2.878 1.166 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.213 4.572 0.880 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.351 4.481 2.875 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.766 4.586 3.616 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.606 1.841 2.735 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.511 2.516 4.076 1.00 28.43 H new ATOM 0 HE ARG A 80 8.835 3.024 4.795 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.752 0.278 3.777 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.790 -0.887 4.693 1.00 33.12 H new ATOM 0 HH21 ARG A 80 7.608 1.531 5.959 1.00 35.04 H new ATOM 0 HH22 ARG A 80 8.027 -0.185 5.916 1.00 35.04 H new ATOM 1256 N LEU A 81 6.836 6.025 2.326 1.00 11.03 N ATOM 1257 CA LEU A 81 6.471 7.439 2.603 1.00 11.27 C ATOM 1258 C LEU A 81 7.657 8.226 3.178 1.00 15.61 C ATOM 1259 O LEU A 81 8.167 7.928 4.239 1.00 18.56 O ATOM 1260 CB LEU A 81 5.273 7.455 3.559 1.00 13.62 C ATOM 1261 CG LEU A 81 5.738 7.559 5.007 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.512 7.655 5.919 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.544 6.305 5.364 1.00 18.72 C ATOM 0 H LEU A 81 6.064 5.366 2.427 1.00 11.03 H new ATOM 0 HA LEU A 81 6.199 7.931 1.669 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.622 8.296 3.320 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.683 6.548 3.426 1.00 13.62 H new ATOM 0 HG LEU A 81 6.361 8.444 5.137 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.836 7.730 6.957 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.931 8.539 5.656 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.895 6.765 5.794 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.881 6.371 6.399 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.916 5.422 5.242 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.409 6.229 4.705 1.00 18.72 H new ATOM 1275 N ARG A 82 8.087 9.243 2.478 1.00 13.37 N ATOM 1276 CA ARG A 82 9.219 10.069 2.975 1.00 12.72 C ATOM 1277 C ARG A 82 8.643 11.191 3.834 1.00 13.33 C ATOM 1278 O ARG A 82 7.972 12.076 3.345 1.00 13.27 O ATOM 1279 CB ARG A 82 9.981 10.667 1.790 1.00 13.85 C ATOM 1280 CG ARG A 82 11.246 9.848 1.530 1.00 16.22 C ATOM 1281 CD ARG A 82 11.670 10.016 0.070 1.00 16.62 C ATOM 1282 NE ARG A 82 12.767 11.021 -0.015 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.477 11.127 -1.106 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.226 10.357 -2.131 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.440 12.005 -1.173 1.00 16.89 N ATOM 0 H ARG A 82 7.700 9.535 1.581 1.00 13.37 H new ATOM 0 HA ARG A 82 9.906 9.457 3.560 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.349 10.671 0.902 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.243 11.704 1.999 1.00 13.85 H new ATOM 0 HG2 ARG A 82 12.047 10.176 2.193 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.062 8.796 1.748 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.005 9.061 -0.335 1.00 16.62 H new ATOM 0 HD3 ARG A 82 10.820 10.337 -0.532 1.00 16.62 H new ATOM 0 HE ARG A 82 12.964 11.628 0.781 1.00 15.85 H new ATOM 0 HH11 ARG A 82 12.473 9.670 -2.081 1.00 20.55 H new ATOM 0 HH12 ARG A 82 13.783 10.443 -2.982 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.637 12.607 -0.374 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.995 12.089 -2.024 1.00 16.89 H new ATOM 1299 N LEU A 83 8.871 11.149 5.112 1.00 13.53 N ATOM 1300 CA LEU A 83 8.301 12.203 5.996 1.00 13.86 C ATOM 1301 C LEU A 83 9.166 13.460 5.983 1.00 13.02 C ATOM 1302 O LEU A 83 10.378 13.406 5.919 1.00 14.40 O ATOM 1303 CB LEU A 83 8.214 11.690 7.428 1.00 9.93 C ATOM 1304 CG LEU A 83 6.798 11.888 7.968 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.810 11.709 9.487 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.318 13.300 7.626 1.00 10.58 C ATOM 0 H LEU A 83 9.425 10.435 5.584 1.00 13.53 H new ATOM 0 HA LEU A 83 7.308 12.449 5.620 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.481 10.634 7.462 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.930 12.220 8.057 1.00 9.93 H new ATOM 0 HG LEU A 83 6.127 11.157 7.518 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.802 11.849 9.878 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.158 10.706 9.732 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.478 12.444 9.935 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.308 13.444 8.010 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.987 14.031 8.080 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.317 13.432 6.544 1.00 10.58 H new ATOM 1318 N VAL A 84 8.530 14.593 6.063 1.00 11.81 N ATOM 1319 CA VAL A 84 9.256 15.879 6.078 1.00 12.86 C ATOM 1320 C VAL A 84 8.476 16.844 6.977 1.00 14.98 C ATOM 1321 O VAL A 84 7.297 16.654 7.193 1.00 13.59 O ATOM 1322 CB VAL A 84 9.308 16.424 4.651 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.869 15.352 3.715 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.895 16.807 4.199 1.00 17.34 C ATOM 0 H VAL A 84 7.515 14.677 6.120 1.00 11.81 H new ATOM 0 HA VAL A 84 10.272 15.757 6.453 1.00 12.86 H new ATOM 0 HB VAL A 84 9.951 17.304 4.622 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.906 15.741 2.697 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.874 15.079 4.036 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.227 14.472 3.744 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.931 17.196 3.181 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.253 15.927 4.228 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.494 17.571 4.865 1.00 17.34 H new ATOM 1334 N PRO A 85 9.138 17.859 7.460 1.00 18.65 N ATOM 1335 CA PRO A 85 8.499 18.871 8.318 1.00 22.41 C ATOM 1336 C PRO A 85 7.378 19.586 7.548 1.00 25.70 C ATOM 1337 O PRO A 85 7.460 19.773 6.350 1.00 22.08 O ATOM 1338 CB PRO A 85 9.650 19.800 8.709 1.00 21.19 C ATOM 1339 CG PRO A 85 10.752 19.561 7.666 1.00 18.95 C ATOM 1340 CD PRO A 85 10.559 18.112 7.188 1.00 20.63 C ATOM 0 HA PRO A 85 8.012 18.460 9.202 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.330 20.842 8.708 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.008 19.578 9.714 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.666 20.263 6.836 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.741 19.702 8.101 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.793 18.002 6.129 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.203 17.419 7.730 1.00 20.63 H new ATOM 1348 N ALA A 86 6.320 19.961 8.221 1.00 31.74 N ATOM 1349 CA ALA A 86 5.181 20.634 7.525 1.00 39.94 C ATOM 1350 C ALA A 86 5.575 22.066 7.155 1.00 46.96 C ATOM 1351 O ALA A 86 5.888 22.873 8.007 1.00 49.29 O ATOM 1352 CB ALA A 86 3.963 20.661 8.454 1.00 39.70 C ATOM 0 H ALA A 86 6.195 19.830 9.225 1.00 31.74 H new ATOM 0 HA ALA A 86 4.936 20.084 6.617 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.131 21.151 7.949 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.680 19.641 8.713 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.210 21.210 9.362 1.00 39.70 H new ATOM 1358 N LYS A 87 5.560 22.387 5.891 1.00 51.78 N ATOM 1359 CA LYS A 87 5.931 23.767 5.467 1.00 55.12 C ATOM 1360 C LYS A 87 4.762 24.397 4.707 1.00 55.82 C ATOM 1361 O LYS A 87 3.857 23.665 4.339 1.00 58.05 O ATOM 1362 CB LYS A 87 7.159 23.710 4.554 1.00 52.96 C ATOM 1363 CG LYS A 87 8.385 23.278 5.363 1.00 55.49 C ATOM 1364 CD LYS A 87 8.852 21.902 4.887 1.00 56.64 C ATOM 1365 CE LYS A 87 9.555 22.041 3.535 1.00 58.91 C ATOM 1366 NZ LYS A 87 10.822 21.257 3.550 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.791 25.599 4.505 1.00 57.66 O ATOM 0 H LYS A 87 5.307 21.753 5.133 1.00 51.78 H new ATOM 0 HA LYS A 87 6.161 24.367 6.347 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.985 23.009 3.738 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.335 24.687 4.103 1.00 52.96 H new ATOM 0 HG2 LYS A 87 9.187 24.007 5.245 1.00 55.49 H new ATOM 0 HG3 LYS A 87 8.140 23.243 6.424 1.00 55.49 H new ATOM 0 HD2 LYS A 87 9.531 21.464 5.618 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.000 21.228 4.798 1.00 56.64 H new ATOM 0 HE2 LYS A 87 8.904 21.685 2.737 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.767 23.090 3.330 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 11.300 21.352 2.631 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 11.444 21.617 4.302 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 10.608 20.255 3.727 1.00 58.16 H new ATOM 1382 N MET B 1 2.829 18.334 -3.965 1.00 42.32 N ATOM 1383 CA MET B 1 1.889 17.273 -3.505 1.00 40.89 C ATOM 1384 C MET B 1 1.713 16.234 -4.613 1.00 34.75 C ATOM 1385 O MET B 1 2.196 16.400 -5.715 1.00 33.97 O ATOM 1386 CB MET B 1 0.527 17.902 -3.176 1.00 48.45 C ATOM 1387 CG MET B 1 -0.216 18.252 -4.472 1.00 56.13 C ATOM 1388 SD MET B 1 -0.655 20.008 -4.456 1.00 64.91 S ATOM 1389 CE MET B 1 -0.166 20.382 -6.157 1.00 63.43 C ATOM 0 H1 MET B 1 3.675 18.334 -3.361 1.00 42.32 H new ATOM 0 H2 MET B 1 3.107 18.149 -4.950 1.00 42.32 H new ATOM 0 H3 MET B 1 2.362 19.261 -3.906 1.00 42.32 H new ATOM 0 HA MET B 1 2.293 16.792 -2.614 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.069 17.209 -2.581 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.668 18.800 -2.574 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.411 18.030 -5.335 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.114 17.642 -4.566 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.715 21.255 -6.510 1.00 63.43 H new ATOM 0 HE2 MET B 1 0.904 20.587 -6.191 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.392 19.529 -6.797 1.00 63.43 H new ATOM 1401 N ILE B 2 1.006 15.173 -4.337 1.00 28.59 N ATOM 1402 CA ILE B 2 0.784 14.144 -5.388 1.00 24.58 C ATOM 1403 C ILE B 2 -0.086 14.772 -6.471 1.00 19.29 C ATOM 1404 O ILE B 2 -1.283 14.572 -6.521 1.00 19.53 O ATOM 1405 CB ILE B 2 0.077 12.928 -4.790 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.705 12.570 -3.444 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.226 11.739 -5.733 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.400 12.188 -2.469 1.00 33.80 C ATOM 0 H ILE B 2 0.575 14.976 -3.434 1.00 28.59 H new ATOM 0 HA ILE B 2 1.735 13.813 -5.805 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.978 13.165 -4.650 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.405 11.743 -3.563 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.273 13.416 -3.057 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.278 10.871 -5.307 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.221 11.981 -6.697 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.284 11.513 -5.870 1.00 23.06 H new ATOM 0 HD11 ILE B 2 0.038 11.931 -1.505 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.082 13.029 -2.345 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.949 11.330 -2.859 1.00 33.80 H new ATOM 1420 N LYS B 3 0.509 15.560 -7.320 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.268 16.245 -8.383 1.00 16.66 C ATOM 1422 C LYS B 3 -0.665 15.256 -9.482 1.00 14.94 C ATOM 1423 O LYS B 3 -0.083 14.201 -9.638 1.00 13.94 O ATOM 1424 CB LYS B 3 0.578 17.408 -8.939 1.00 16.94 C ATOM 1425 CG LYS B 3 0.894 17.191 -10.417 1.00 17.85 C ATOM 1426 CD LYS B 3 1.906 18.236 -10.891 1.00 19.63 C ATOM 1427 CE LYS B 3 1.200 19.271 -11.769 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.176 19.852 -12.734 1.00 32.72 N ATOM 0 H LYS B 3 1.509 15.759 -7.321 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.193 16.647 -7.971 1.00 16.66 H new ATOM 0 HB2 LYS B 3 0.041 18.348 -8.812 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.506 17.492 -8.373 1.00 16.94 H new ATOM 0 HG2 LYS B 3 1.295 16.189 -10.569 1.00 17.85 H new ATOM 0 HG3 LYS B 3 -0.019 17.262 -11.008 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.367 18.726 -10.033 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.707 17.754 -11.452 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.374 18.805 -12.307 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.772 20.059 -11.149 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.697 20.556 -13.331 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 2.950 20.311 -12.212 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.564 19.096 -13.333 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.663 15.611 -10.241 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.134 14.731 -11.341 1.00 12.99 C ATOM 1444 C VAL B 4 -2.982 15.570 -12.304 1.00 14.26 C ATOM 1445 O VAL B 4 -3.346 16.690 -12.010 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.951 13.548 -10.755 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.483 13.907 -9.367 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -4.133 13.187 -11.671 1.00 10.41 C ATOM 0 H VAL B 4 -2.178 16.486 -10.143 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.288 14.312 -11.885 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.285 12.688 -10.681 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.054 13.069 -8.968 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.647 14.126 -8.702 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.128 14.783 -9.440 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.689 12.356 -11.237 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.791 14.050 -11.772 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.758 12.900 -12.653 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.286 15.041 -13.455 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.098 15.808 -14.439 1.00 10.51 C ATOM 1460 C GLU B 5 -5.056 14.869 -15.154 1.00 10.00 C ATOM 1461 O GLU B 5 -4.656 14.014 -15.920 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.170 16.462 -15.460 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.554 17.714 -14.842 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.419 18.224 -15.733 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.665 18.434 -16.910 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.324 18.397 -15.224 1.00 22.12 O ATOM 0 H GLU B 5 -3.006 14.108 -13.758 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.669 16.577 -13.918 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.387 15.765 -15.758 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.725 16.721 -16.361 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.314 18.486 -14.727 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.174 17.490 -13.845 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.323 15.031 -14.918 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.312 14.155 -15.604 1.00 10.60 C ATOM 1475 C ILE B 6 -7.429 14.631 -17.060 1.00 10.16 C ATOM 1476 O ILE B 6 -8.096 15.601 -17.359 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.670 14.224 -14.872 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.715 13.128 -13.803 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.822 14.001 -15.848 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.411 13.730 -12.432 1.00 13.81 C ATOM 0 H ILE B 6 -6.718 15.726 -14.285 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.990 13.114 -15.590 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.774 15.210 -14.420 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.698 12.656 -13.794 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.990 12.349 -14.037 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.769 14.054 -15.311 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.799 14.770 -16.620 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.722 13.019 -16.311 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.444 12.946 -11.675 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.419 14.181 -12.444 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.153 14.493 -12.197 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.761 13.957 -17.964 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.799 14.362 -19.397 1.00 11.59 C ATOM 1494 C LYS B 7 -8.248 14.457 -19.869 1.00 12.98 C ATOM 1495 O LYS B 7 -9.143 13.965 -19.211 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.047 13.307 -20.219 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.546 13.585 -20.126 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.790 12.817 -21.210 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.878 13.781 -21.967 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.367 13.938 -23.366 1.00 25.43 N ATOM 0 H LYS B 7 -6.187 13.137 -17.765 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.328 15.337 -19.524 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.269 12.308 -19.844 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.372 13.337 -21.259 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.361 14.654 -20.233 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.177 13.295 -19.142 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.201 12.017 -20.762 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -4.494 12.348 -21.898 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.860 14.749 -21.467 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -1.855 13.404 -21.969 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.745 14.594 -23.880 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -3.362 13.013 -23.841 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.336 14.316 -23.355 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.438 15.074 -21.007 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.775 15.224 -21.594 1.00 11.93 C ATOM 1516 C PRO B 8 -10.250 13.863 -22.089 1.00 10.20 C ATOM 1517 O PRO B 8 -11.420 13.645 -22.332 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.568 16.226 -22.735 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.062 16.182 -23.079 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.347 15.658 -21.819 1.00 13.61 C ATOM 0 HA PRO B 8 -10.537 15.578 -20.900 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.173 15.960 -23.602 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.869 17.229 -22.432 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.877 15.529 -23.932 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.696 17.172 -23.351 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.592 14.912 -22.069 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.838 16.461 -21.286 1.00 13.61 H new ATOM 1528 N SER B 9 -9.342 12.936 -22.209 1.00 10.65 N ATOM 1529 CA SER B 9 -9.720 11.570 -22.651 1.00 10.83 C ATOM 1530 C SER B 9 -9.935 10.690 -21.413 1.00 10.94 C ATOM 1531 O SER B 9 -10.299 9.536 -21.516 1.00 13.16 O ATOM 1532 CB SER B 9 -8.602 10.980 -23.511 1.00 13.01 C ATOM 1533 OG SER B 9 -7.751 12.028 -23.957 1.00 15.52 O ATOM 0 H SER B 9 -8.349 13.069 -22.018 1.00 10.65 H new ATOM 0 HA SER B 9 -10.637 11.613 -23.239 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.031 10.252 -22.936 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.025 10.451 -24.365 1.00 13.01 H new ATOM 0 HG SER B 9 -7.032 11.654 -24.507 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.711 11.230 -20.241 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.900 10.431 -18.999 1.00 11.55 C ATOM 1541 C GLN B 10 -10.777 11.209 -18.015 1.00 13.72 C ATOM 1542 O GLN B 10 -10.488 11.275 -16.838 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.546 10.165 -18.351 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.494 10.003 -19.440 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.790 8.756 -20.281 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -7.205 8.569 -21.330 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -8.676 7.887 -19.869 1.00 4.80 N ATOM 0 H GLN B 10 -9.405 12.192 -20.094 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.380 9.486 -19.253 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.278 10.989 -17.689 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.593 9.265 -17.737 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.482 10.886 -20.078 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.504 9.921 -18.990 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -9.169 8.040 -18.989 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -8.874 7.056 -20.427 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.836 11.810 -18.483 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.711 12.590 -17.560 1.00 18.95 C ATOM 1558 C ALA B 11 -14.084 11.921 -17.446 1.00 20.75 C ATOM 1559 O ALA B 11 -15.052 12.538 -17.048 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.880 14.011 -18.097 1.00 17.72 C ATOM 0 H ALA B 11 -12.133 11.796 -19.459 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.248 12.623 -16.574 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.519 14.581 -17.423 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.904 14.492 -18.166 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.337 13.974 -19.086 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.179 10.667 -17.790 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.490 9.967 -17.696 1.00 25.43 C ATOM 1568 C GLN B 12 -15.294 8.591 -17.064 1.00 22.80 C ATOM 1569 O GLN B 12 -14.328 7.906 -17.334 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.080 9.803 -19.094 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.915 11.034 -19.426 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.666 10.811 -20.739 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.857 11.039 -20.818 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.017 10.370 -21.782 1.00 47.90 N ATOM 0 H GLN B 12 -13.406 10.097 -18.132 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.169 10.555 -17.079 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.283 9.679 -19.827 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.697 8.906 -19.140 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.622 11.233 -18.621 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.272 11.910 -19.509 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.017 10.178 -21.717 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -17.510 10.217 -22.662 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.201 8.179 -16.223 1.00 21.61 N ATOM 1584 CA PHE B 13 -16.058 6.847 -15.580 1.00 20.51 C ATOM 1585 C PHE B 13 -16.842 5.809 -16.379 1.00 18.83 C ATOM 1586 O PHE B 13 -17.685 6.139 -17.189 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.614 6.909 -14.161 1.00 19.56 C ATOM 1588 CG PHE B 13 -18.063 7.329 -14.227 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -19.056 6.379 -14.489 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -18.411 8.672 -14.038 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -20.396 6.774 -14.561 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -19.748 9.065 -14.108 1.00 20.75 C ATOM 1593 CZ PHE B 13 -20.740 8.118 -14.370 1.00 18.48 C ATOM 0 H PHE B 13 -17.032 8.706 -15.955 1.00 21.61 H new ATOM 0 HA PHE B 13 -15.004 6.569 -15.552 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.524 5.936 -13.677 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -16.042 7.617 -13.562 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.789 5.343 -14.635 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -17.643 9.405 -13.838 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -21.165 6.043 -14.764 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -20.015 10.101 -13.960 1.00 20.75 H new ATOM 0 HZ PHE B 13 -21.775 8.423 -14.425 1.00 18.48 H new ATOM 1603 N THR B 14 -16.576 4.554 -16.152 1.00 14.89 N ATOM 1604 CA THR B 14 -17.311 3.495 -16.891 1.00 13.37 C ATOM 1605 C THR B 14 -17.735 2.403 -15.911 1.00 11.97 C ATOM 1606 O THR B 14 -17.055 2.124 -14.943 1.00 10.76 O ATOM 1607 CB THR B 14 -16.408 2.891 -17.966 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.973 3.916 -18.849 1.00 13.48 O ATOM 1609 CG2 THR B 14 -17.186 1.835 -18.749 1.00 9.24 C ATOM 0 H THR B 14 -15.881 4.217 -15.486 1.00 14.89 H new ATOM 0 HA THR B 14 -18.191 3.928 -17.366 1.00 13.37 H new ATOM 0 HB THR B 14 -15.541 2.427 -17.496 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.393 3.530 -19.538 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.543 1.404 -19.516 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.518 1.050 -18.070 1.00 9.24 H new ATOM 0 HG23 THR B 14 -18.053 2.297 -19.221 1.00 9.24 H new ATOM 1617 N THR B 15 -18.854 1.785 -16.151 1.00 13.20 N ATOM 1618 CA THR B 15 -19.324 0.714 -15.234 1.00 12.54 C ATOM 1619 C THR B 15 -18.930 -0.650 -15.803 1.00 14.34 C ATOM 1620 O THR B 15 -19.413 -1.065 -16.838 1.00 17.35 O ATOM 1621 CB THR B 15 -20.845 0.791 -15.100 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.286 2.091 -15.464 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.244 0.502 -13.654 1.00 8.30 C ATOM 0 H THR B 15 -19.465 1.976 -16.945 1.00 13.20 H new ATOM 0 HA THR B 15 -18.866 0.845 -14.254 1.00 12.54 H new ATOM 0 HB THR B 15 -21.306 0.054 -15.757 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.988 2.738 -14.791 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.328 0.557 -13.558 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.905 -0.496 -13.375 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.784 1.239 -12.995 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.342 -1.104 -10.195 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.388 0.338 -9.818 1.00 16.31 C ATOM 1818 C LEU B 28 -17.894 1.207 -10.979 1.00 14.21 C ATOM 1819 O LEU B 28 -17.183 0.752 -11.852 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.491 0.560 -8.601 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.164 1.536 -7.636 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.957 1.053 -6.198 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.543 2.925 -7.803 1.00 22.01 C ATOM 0 HA LEU B 28 -19.416 0.616 -9.584 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.301 -0.389 -8.100 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.525 0.954 -8.916 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.231 1.587 -7.852 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.436 1.748 -5.508 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.397 0.063 -6.080 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.890 1.004 -5.981 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.022 3.623 -7.116 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.476 2.875 -7.585 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.688 3.268 -8.827 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.263 2.463 -10.986 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.812 3.374 -12.077 1.00 9.77 C ATOM 1837 C ASN B 29 -16.305 3.609 -11.942 1.00 7.94 C ATOM 1838 O ASN B 29 -15.850 4.263 -11.024 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.550 4.710 -11.959 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.967 4.560 -12.515 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.235 3.668 -13.296 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -20.894 5.400 -12.142 1.00 12.89 N ATOM 0 H ASN B 29 -18.859 2.896 -10.280 1.00 11.64 H new ATOM 0 HA ASN B 29 -18.028 2.925 -13.047 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.588 5.026 -10.916 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.013 5.484 -12.507 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.842 5.308 -12.506 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.670 6.149 -11.487 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.525 3.074 -12.841 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.047 3.260 -12.754 1.00 13.16 C ATOM 1851 C GLU B 30 -13.643 4.562 -13.453 1.00 12.26 C ATOM 1852 O GLU B 30 -14.478 5.338 -13.873 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.349 2.075 -13.426 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.637 0.800 -12.629 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.507 -0.207 -12.847 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.532 -0.141 -12.116 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -12.636 -1.029 -13.740 1.00 40.03 O ATOM 0 H GLU B 30 -15.846 2.516 -13.632 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.750 3.314 -11.707 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.702 1.964 -14.451 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.275 2.252 -13.476 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.729 1.035 -11.569 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.588 0.369 -12.944 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.365 4.805 -13.578 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.900 6.057 -14.246 1.00 9.46 C ATOM 1866 C GLN B 31 -10.372 6.046 -14.345 1.00 10.09 C ATOM 1867 O GLN B 31 -9.721 5.100 -13.949 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.340 7.275 -13.425 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.626 8.454 -14.361 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.568 9.540 -14.151 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.650 9.368 -13.374 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.658 10.660 -14.815 1.00 12.39 N ATOM 0 H GLN B 31 -11.622 4.190 -13.246 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.334 6.113 -15.244 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.232 7.033 -12.847 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.561 7.545 -12.712 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.618 8.119 -15.398 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.620 8.856 -14.164 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.428 10.805 -15.468 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -10.958 11.390 -14.681 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.795 7.095 -14.868 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.311 7.150 -14.991 1.00 10.34 C ATOM 1883 C LEU B 32 -7.828 8.571 -14.677 1.00 9.02 C ATOM 1884 O LEU B 32 -8.612 9.495 -14.582 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.907 6.771 -16.418 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.668 5.515 -16.847 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.573 5.354 -18.366 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -8.054 4.290 -16.163 1.00 15.89 C ATOM 0 H LEU B 32 -10.289 7.917 -15.216 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.857 6.451 -14.289 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.126 7.593 -17.100 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.833 6.593 -16.468 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.715 5.607 -16.558 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.115 4.459 -18.672 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.009 6.226 -18.852 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.527 5.262 -18.657 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.595 3.394 -16.467 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.007 4.198 -16.453 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -8.122 4.405 -15.081 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.544 8.754 -14.515 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.011 10.111 -14.209 1.00 8.10 C ATOM 1902 C CYS B 33 -4.504 10.094 -14.456 1.00 6.34 C ATOM 1903 O CYS B 33 -3.895 9.047 -14.522 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.286 10.499 -12.744 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.046 9.125 -11.835 1.00 13.84 S ATOM 0 H CYS B 33 -5.840 8.019 -14.582 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.504 10.844 -14.848 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.353 10.787 -12.260 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.943 11.368 -12.712 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.398 8.927 -10.726 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.895 11.236 -14.598 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.429 11.258 -14.852 1.00 7.08 C ATOM 1913 C TYR B 34 -1.705 11.835 -13.638 1.00 7.71 C ATOM 1914 O TYR B 34 -1.826 13.002 -13.334 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.144 12.127 -16.069 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.444 11.353 -17.332 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.451 10.569 -17.936 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.713 11.440 -17.907 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.730 9.878 -19.114 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.993 10.749 -19.088 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.998 9.971 -19.691 1.00 16.83 C ATOM 1922 OH TYR B 34 -3.274 9.288 -20.858 1.00 21.14 O ATOM 0 H TYR B 34 -4.345 12.150 -14.550 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.077 10.242 -15.033 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.752 13.031 -16.032 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.101 12.444 -16.065 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.470 10.500 -17.489 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -4.478 12.041 -17.439 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.967 9.272 -19.579 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.974 10.815 -19.535 1.00 16.38 H new ATOM 0 HH TYR B 34 -4.201 9.459 -21.126 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.958 11.027 -12.935 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.242 11.542 -11.734 1.00 10.66 C ATOM 1934 C VAL B 35 1.258 11.677 -12.008 1.00 10.57 C ATOM 1935 O VAL B 35 1.869 10.833 -12.633 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.453 10.580 -10.566 1.00 10.22 C ATOM 1937 CG1 VAL B 35 -0.054 11.272 -9.260 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.929 10.179 -10.502 1.00 9.86 C ATOM 0 H VAL B 35 -0.813 10.038 -13.139 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.643 12.526 -11.489 1.00 10.66 H new ATOM 0 HB VAL B 35 0.161 9.690 -10.708 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.204 10.587 -8.425 1.00 7.97 H new ATOM 0 HG12 VAL B 35 0.996 11.562 -9.308 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.669 12.160 -9.116 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.084 9.492 -9.670 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.542 11.069 -10.357 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.214 9.690 -11.434 1.00 9.86 H new ATOM 1948 N ASP B 36 1.855 12.731 -11.514 1.00 8.58 N ATOM 1949 CA ASP B 36 3.307 12.938 -11.695 1.00 11.48 C ATOM 1950 C ASP B 36 3.968 12.788 -10.327 1.00 12.38 C ATOM 1951 O ASP B 36 4.866 13.523 -9.968 1.00 11.89 O ATOM 1952 CB ASP B 36 3.566 14.341 -12.244 1.00 16.17 C ATOM 1953 CG ASP B 36 2.573 14.644 -13.367 1.00 17.97 C ATOM 1954 OD1 ASP B 36 1.384 14.646 -13.095 1.00 25.89 O ATOM 1955 OD2 ASP B 36 3.019 14.870 -14.480 1.00 15.67 O ATOM 0 H ASP B 36 1.382 13.464 -10.985 1.00 8.58 H new ATOM 0 HA ASP B 36 3.713 12.212 -12.399 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.466 15.078 -11.448 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.587 14.413 -12.618 1.00 16.17 H new ATOM 1960 N LEU B 37 3.497 11.845 -9.557 1.00 13.17 N ATOM 1961 CA LEU B 37 4.045 11.620 -8.189 1.00 18.47 C ATOM 1962 C LEU B 37 5.515 11.200 -8.263 1.00 21.14 C ATOM 1963 O LEU B 37 5.889 10.148 -7.782 1.00 24.24 O ATOM 1964 CB LEU B 37 3.246 10.503 -7.519 1.00 15.81 C ATOM 1965 CG LEU B 37 3.269 9.268 -8.419 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.130 8.179 -7.773 1.00 14.72 C ATOM 1967 CD2 LEU B 37 1.842 8.747 -8.610 1.00 20.01 C ATOM 0 H LEU B 37 2.743 11.211 -9.823 1.00 13.17 H new ATOM 0 HA LEU B 37 3.969 12.545 -7.618 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.673 10.267 -6.544 1.00 15.81 H new ATOM 0 HB3 LEU B 37 2.219 10.825 -7.348 1.00 15.81 H new ATOM 0 HG LEU B 37 3.690 9.534 -9.388 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.146 7.299 -8.416 1.00 14.72 H new ATOM 0 HD12 LEU B 37 5.146 8.550 -7.640 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.712 7.912 -6.802 1.00 14.72 H new ATOM 0 HD21 LEU B 37 1.859 7.866 -9.252 1.00 20.01 H new ATOM 0 HD22 LEU B 37 1.419 8.482 -7.641 1.00 20.01 H new ATOM 0 HD23 LEU B 37 1.231 9.522 -9.073 1.00 20.01 H new ATOM 1979 N GLY B 38 6.356 12.006 -8.846 1.00 20.70 N ATOM 1980 CA GLY B 38 7.790 11.636 -8.926 1.00 23.91 C ATOM 1981 C GLY B 38 8.146 11.238 -10.363 1.00 26.50 C ATOM 1982 O GLY B 38 9.266 10.869 -10.654 1.00 31.02 O ATOM 0 H GLY B 38 6.111 12.902 -9.269 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.409 12.474 -8.607 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.000 10.809 -8.248 1.00 23.91 H new ATOM 1986 N ASN B 39 7.204 11.322 -11.264 1.00 27.64 N ATOM 1987 CA ASN B 39 7.482 10.966 -12.676 1.00 30.27 C ATOM 1988 C ASN B 39 7.095 12.151 -13.561 1.00 26.79 C ATOM 1989 O ASN B 39 5.940 12.351 -13.875 1.00 26.87 O ATOM 1990 CB ASN B 39 6.671 9.731 -13.082 1.00 35.62 C ATOM 1991 CG ASN B 39 6.707 8.694 -11.957 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.449 8.839 -11.005 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.932 7.645 -12.027 1.00 39.63 N ATOM 0 H ASN B 39 6.248 11.625 -11.076 1.00 27.64 H new ATOM 0 HA ASN B 39 8.541 10.738 -12.795 1.00 30.27 H new ATOM 0 HB2 ASN B 39 5.640 10.015 -13.294 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.078 9.302 -13.998 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.949 6.948 -11.283 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.309 7.523 -12.826 1.00 39.63 H new ATOM 2000 N GLU B 40 8.063 12.941 -13.939 1.00 25.15 N ATOM 2001 CA GLU B 40 7.801 14.141 -14.792 1.00 23.81 C ATOM 2002 C GLU B 40 6.634 13.884 -15.739 1.00 21.12 C ATOM 2003 O GLU B 40 5.654 14.601 -15.749 1.00 19.86 O ATOM 2004 CB GLU B 40 9.057 14.467 -15.605 1.00 27.22 C ATOM 2005 CG GLU B 40 9.747 15.697 -15.010 1.00 34.87 C ATOM 2006 CD GLU B 40 10.289 16.575 -16.139 1.00 38.97 C ATOM 2007 OE1 GLU B 40 9.503 16.976 -16.981 1.00 42.34 O ATOM 2008 OE2 GLU B 40 11.482 16.832 -16.142 1.00 39.54 O ATOM 0 H GLU B 40 9.043 12.805 -13.689 1.00 25.15 H new ATOM 0 HA GLU B 40 7.546 14.982 -14.147 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.738 13.616 -15.598 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.791 14.654 -16.645 1.00 27.22 H new ATOM 0 HG2 GLU B 40 9.042 16.263 -14.401 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.560 15.389 -14.353 1.00 34.87 H new ATOM 2015 N HIS B 41 6.733 12.862 -16.526 1.00 5.11 N ATOM 2016 CA HIS B 41 5.627 12.540 -17.475 1.00 4.71 C ATOM 2017 C HIS B 41 4.396 12.122 -16.669 1.00 3.64 C ATOM 2018 O HIS B 41 4.525 11.619 -15.571 1.00 2.65 O ATOM 2019 CB HIS B 41 6.053 11.391 -18.392 1.00 5.08 C ATOM 2020 CG HIS B 41 7.464 11.617 -18.860 1.00 4.62 C ATOM 2021 ND1 HIS B 41 7.954 12.881 -19.151 1.00 3.97 N ATOM 2022 CD2 HIS B 41 8.502 10.750 -19.096 1.00 5.64 C ATOM 2023 CE1 HIS B 41 9.234 12.740 -19.542 1.00 4.08 C ATOM 2024 NE2 HIS B 41 9.619 11.461 -19.526 1.00 5.61 N ATOM 0 H HIS B 41 7.532 12.228 -16.559 1.00 5.11 H new ATOM 0 HA HIS B 41 5.395 13.414 -18.084 1.00 4.71 H new ATOM 0 HB2 HIS B 41 5.983 10.442 -17.860 1.00 5.08 H new ATOM 0 HB3 HIS B 41 5.381 11.327 -19.248 1.00 5.08 H new ATOM 0 HD2 HIS B 41 8.459 9.679 -18.968 1.00 5.64 H new ATOM 0 HE1 HIS B 41 9.872 13.561 -19.833 1.00 4.08 H new ATOM 0 HE2 HIS B 41 10.534 11.086 -19.775 1.00 5.61 H new ATOM 2032 N PRO B 42 3.236 12.344 -17.228 1.00 15.11 N ATOM 2033 CA PRO B 42 1.971 11.999 -16.563 1.00 16.08 C ATOM 2034 C PRO B 42 1.720 10.497 -16.664 1.00 17.92 C ATOM 2035 O PRO B 42 1.962 9.882 -17.684 1.00 17.13 O ATOM 2036 CB PRO B 42 0.922 12.774 -17.356 1.00 16.41 C ATOM 2037 CG PRO B 42 1.536 13.035 -18.745 1.00 13.79 C ATOM 2038 CD PRO B 42 3.069 12.951 -18.565 1.00 16.28 C ATOM 0 HA PRO B 42 1.962 12.246 -15.501 1.00 16.08 H new ATOM 0 HB2 PRO B 42 -0.002 12.202 -17.441 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.673 13.711 -16.859 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.189 12.297 -19.468 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.242 14.014 -19.122 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.530 12.340 -19.342 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.532 13.936 -18.617 1.00 16.28 H new ATOM 2046 N VAL B 43 1.237 9.901 -15.615 1.00 16.29 N ATOM 2047 CA VAL B 43 0.972 8.440 -15.652 1.00 14.28 C ATOM 2048 C VAL B 43 -0.531 8.190 -15.572 1.00 9.00 C ATOM 2049 O VAL B 43 -1.172 8.490 -14.585 1.00 7.99 O ATOM 2050 CB VAL B 43 1.674 7.766 -14.475 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.106 8.292 -14.367 1.00 18.07 C ATOM 2052 CG2 VAL B 43 0.919 8.074 -13.177 1.00 20.57 C ATOM 0 H VAL B 43 1.014 10.362 -14.733 1.00 16.29 H new ATOM 0 HA VAL B 43 1.354 8.024 -16.584 1.00 14.28 H new ATOM 0 HB VAL B 43 1.691 6.688 -14.635 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.608 7.811 -13.527 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.646 8.070 -15.288 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.087 9.370 -14.209 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.423 7.591 -12.340 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.898 9.152 -13.015 1.00 20.57 H new ATOM 0 HG23 VAL B 43 -0.101 7.698 -13.252 1.00 20.57 H new ATOM 2062 N LEU B 44 -1.099 7.642 -16.605 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.559 7.380 -16.591 1.00 11.55 C ATOM 2064 C LEU B 44 -2.867 6.215 -15.654 1.00 10.61 C ATOM 2065 O LEU B 44 -2.691 5.062 -15.994 1.00 13.49 O ATOM 2066 CB LEU B 44 -3.033 7.043 -17.999 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.531 6.762 -17.968 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -5.270 8.000 -17.453 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -5.018 6.426 -19.379 1.00 20.21 C ATOM 0 H LEU B 44 -0.615 7.364 -17.459 1.00 10.19 H new ATOM 0 HA LEU B 44 -3.079 8.271 -16.238 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.820 7.871 -18.676 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.495 6.174 -18.379 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.729 5.918 -17.307 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -6.341 7.801 -17.430 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.924 8.238 -16.447 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -5.072 8.843 -18.114 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -6.089 6.225 -19.356 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.821 7.268 -20.042 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -4.491 5.545 -19.745 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.339 6.513 -14.479 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.677 5.439 -13.510 1.00 9.29 C ATOM 2083 C VAL B 45 -5.179 5.204 -13.536 1.00 9.95 C ATOM 2084 O VAL B 45 -5.882 5.688 -14.402 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.242 5.849 -12.102 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.853 6.488 -12.160 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -4.241 6.854 -11.514 1.00 10.20 C ATOM 0 H VAL B 45 -3.506 7.462 -14.146 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.155 4.522 -13.785 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.211 4.963 -11.468 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.544 6.780 -11.156 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -1.139 5.771 -12.565 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.885 7.370 -12.800 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.922 7.140 -10.511 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -4.282 7.740 -12.148 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -5.230 6.398 -11.464 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.675 4.457 -12.601 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.133 4.182 -12.584 1.00 12.81 C ATOM 2099 C LYS B 46 -7.820 4.965 -11.462 1.00 13.35 C ATOM 2100 O LYS B 46 -7.194 5.673 -10.700 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.370 2.685 -12.376 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.571 1.891 -13.411 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.380 0.669 -13.849 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.027 0.945 -15.206 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.172 0.382 -16.289 1.00 36.74 N ATOM 0 H LYS B 46 -5.138 4.025 -11.849 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.555 4.496 -13.539 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -7.069 2.395 -11.369 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.432 2.458 -12.469 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.345 2.519 -14.273 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.617 1.577 -12.987 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -6.732 -0.205 -13.914 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.147 0.443 -13.108 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -9.021 0.499 -15.244 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.153 2.018 -15.349 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -7.612 0.570 -17.212 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -6.233 0.827 -16.257 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -7.073 -0.645 -16.155 1.00 36.74 H new ATOM 2119 N ILE B 47 -9.115 4.829 -11.367 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.885 5.542 -10.312 1.00 16.93 C ATOM 2121 C ILE B 47 -11.201 4.787 -10.082 1.00 16.52 C ATOM 2122 O ILE B 47 -11.675 4.075 -10.944 1.00 17.67 O ATOM 2123 CB ILE B 47 -10.155 6.992 -10.772 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.170 7.932 -10.079 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.583 7.431 -10.416 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.532 8.038 -8.597 1.00 18.26 C ATOM 0 H ILE B 47 -9.678 4.245 -11.985 1.00 13.96 H new ATOM 0 HA ILE B 47 -9.324 5.578 -9.378 1.00 16.93 H new ATOM 0 HB ILE B 47 -10.034 7.033 -11.854 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -8.152 7.558 -10.191 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.201 8.917 -10.544 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.743 8.455 -10.752 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -12.299 6.772 -10.907 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.721 7.378 -9.336 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.832 8.708 -8.098 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.544 8.431 -8.497 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.479 7.051 -8.138 1.00 18.26 H new ATOM 2138 N THR B 48 -11.796 4.940 -8.931 1.00 16.86 N ATOM 2139 CA THR B 48 -13.077 4.231 -8.662 1.00 16.59 C ATOM 2140 C THR B 48 -14.216 5.250 -8.578 1.00 19.04 C ATOM 2141 O THR B 48 -14.785 5.481 -7.529 1.00 22.56 O ATOM 2142 CB THR B 48 -12.972 3.465 -7.345 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.607 3.371 -6.961 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.552 2.064 -7.529 1.00 16.02 C ATOM 0 H THR B 48 -11.452 5.523 -8.168 1.00 16.86 H new ATOM 0 HA THR B 48 -13.280 3.528 -9.470 1.00 16.59 H new ATOM 0 HB THR B 48 -13.530 3.990 -6.569 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.497 2.638 -6.320 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.479 1.514 -6.591 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.598 2.139 -7.825 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.993 1.538 -8.303 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.548 5.856 -9.682 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.645 6.861 -9.699 1.00 18.82 C ATOM 2154 C LEU B 49 -16.812 6.351 -8.850 1.00 20.06 C ATOM 2155 O LEU B 49 -17.437 5.358 -9.166 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.094 7.064 -11.153 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.962 8.323 -11.302 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.425 7.976 -11.010 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -16.498 9.423 -10.340 1.00 14.50 C ATOM 0 H LEU B 49 -14.100 5.696 -10.584 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.301 7.810 -9.287 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.219 7.146 -11.797 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.656 6.192 -11.487 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.864 8.690 -12.324 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -19.039 8.870 -11.116 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.766 7.216 -11.713 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.512 7.594 -9.993 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -17.128 10.304 -10.464 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -16.574 9.064 -9.313 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -15.462 9.684 -10.558 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.102 7.019 -7.767 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.219 6.571 -6.886 1.00 27.04 C ATOM 2173 C ASP B 50 -19.519 6.499 -7.689 1.00 27.73 C ATOM 2174 O ASP B 50 -19.708 7.214 -8.653 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.387 7.564 -5.734 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.557 6.798 -4.421 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.407 5.924 -4.374 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -17.834 7.097 -3.486 1.00 33.99 O ATOM 0 H ASP B 50 -16.613 7.857 -7.453 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.988 5.583 -6.489 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.518 8.219 -5.675 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.254 8.200 -5.911 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.418 5.639 -7.294 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.709 5.517 -8.025 1.00 34.22 C ATOM 2185 C GLU B 51 -22.478 6.834 -7.911 1.00 34.98 C ATOM 2186 O GLU B 51 -22.838 7.263 -6.833 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.536 4.386 -7.409 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.605 3.931 -8.403 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.832 3.430 -7.639 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -24.718 2.412 -6.976 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -25.865 4.073 -7.729 1.00 54.92 O ATOM 0 H GLU B 51 -20.313 5.015 -6.494 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.518 5.296 -9.075 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.888 3.549 -7.148 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.005 4.726 -6.486 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.883 4.757 -9.058 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.211 3.139 -9.040 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.729 7.481 -9.015 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.469 8.773 -8.966 1.00 34.93 C ATOM 2200 C GLY B 52 -22.470 9.929 -9.002 1.00 36.10 C ATOM 2201 O GLY B 52 -22.778 11.014 -9.455 1.00 35.97 O ATOM 0 H GLY B 52 -22.454 7.172 -9.947 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.156 8.844 -9.810 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.072 8.826 -8.059 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.274 9.706 -8.529 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.256 10.794 -8.539 1.00 35.40 C ATOM 2207 C GLN B 53 -19.840 11.086 -9.983 1.00 31.02 C ATOM 2208 O GLN B 53 -19.798 10.193 -10.806 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.032 10.357 -7.729 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.956 11.180 -6.441 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.551 11.076 -5.845 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.395 10.871 -4.658 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.513 11.210 -6.625 1.00 54.76 N ATOM 0 H GLN B 53 -20.959 8.819 -8.137 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.679 11.694 -8.094 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.099 9.295 -7.492 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.125 10.496 -8.317 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.197 12.222 -6.649 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.693 10.820 -5.724 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.643 11.382 -7.622 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.572 11.143 -6.238 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.548 12.333 -10.248 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.133 12.784 -11.588 1.00 23.44 C ATOM 2224 C PRO B 54 -17.671 12.415 -11.855 1.00 20.14 C ATOM 2225 O PRO B 54 -16.776 12.837 -11.150 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.313 14.301 -11.530 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.273 14.685 -10.036 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.602 13.409 -9.239 1.00 28.37 C ATOM 0 HA PRO B 54 -19.709 12.322 -12.390 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.522 14.808 -12.083 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.259 14.598 -11.983 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.290 15.069 -9.762 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.995 15.473 -9.820 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.881 13.242 -8.438 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.586 13.471 -8.774 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.426 11.627 -12.868 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.028 11.225 -13.188 1.00 15.58 C ATOM 2238 C ALA B 55 -15.089 12.425 -13.032 1.00 16.41 C ATOM 2239 O ALA B 55 -15.446 13.547 -13.332 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.971 10.725 -14.631 1.00 13.98 C ATOM 0 H ALA B 55 -18.138 11.244 -13.489 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.714 10.435 -12.505 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.950 10.429 -14.873 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.635 9.868 -14.746 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.287 11.521 -15.305 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.888 12.195 -12.573 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.926 13.322 -12.408 1.00 14.61 C ATOM 2248 C TYR B 56 -12.961 14.200 -13.661 1.00 15.51 C ATOM 2249 O TYR B 56 -12.483 13.816 -14.709 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.508 12.769 -12.227 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.376 12.071 -10.887 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.429 12.096 -9.962 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.192 11.395 -10.580 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -12.293 11.444 -8.730 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.055 10.745 -9.353 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.104 10.768 -8.425 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.967 10.125 -7.212 1.00 12.03 O ATOM 0 H TYR B 56 -13.532 11.277 -12.306 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.204 13.908 -11.532 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.279 12.070 -13.032 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.784 13.581 -12.294 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.344 12.618 -10.199 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -9.382 11.376 -11.294 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -13.103 11.462 -8.016 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -9.139 10.223 -9.118 1.00 11.47 H new ATOM 0 HH TYR B 56 -11.845 9.817 -6.904 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.517 15.376 -13.567 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.566 16.266 -14.760 1.00 14.95 C ATOM 2269 C ALA B 57 -12.137 16.532 -15.243 1.00 15.46 C ATOM 2270 O ALA B 57 -11.186 16.136 -14.599 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.235 17.589 -14.384 1.00 14.98 C ATOM 0 H ALA B 57 -13.938 15.758 -12.720 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.139 15.787 -15.554 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.271 18.240 -15.258 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.249 17.397 -14.033 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.663 18.074 -13.593 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.029 17.198 -16.363 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.724 17.535 -16.960 1.00 16.55 C ATOM 2279 C PRO B 58 -10.094 18.720 -16.222 1.00 16.75 C ATOM 2280 O PRO B 58 -10.567 19.836 -16.304 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.077 17.911 -18.402 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.571 18.313 -18.396 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.192 17.677 -17.138 1.00 13.96 C ATOM 0 HA PRO B 58 -10.000 16.722 -16.904 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.455 18.735 -18.752 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.903 17.072 -19.076 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.681 19.397 -18.376 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.071 17.958 -19.297 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.776 18.402 -16.572 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.864 16.858 -17.396 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.032 18.488 -15.498 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.382 19.605 -14.756 1.00 15.08 C ATOM 2293 C GLY B 59 -7.170 19.079 -13.984 1.00 14.96 C ATOM 2294 O GLY B 59 -6.844 17.911 -14.044 1.00 13.79 O ATOM 0 H GLY B 59 -8.588 17.576 -15.389 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.071 20.384 -15.452 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.094 20.059 -14.067 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.503 19.935 -13.254 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.320 19.489 -12.464 1.00 14.53 C ATOM 2300 C LEU B 60 -5.814 18.767 -11.213 1.00 14.15 C ATOM 2301 O LEU B 60 -6.791 19.167 -10.613 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.498 20.711 -12.049 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.034 20.494 -12.421 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.290 21.830 -12.377 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.395 19.520 -11.427 1.00 15.01 C ATOM 0 H LEU B 60 -6.728 20.926 -13.172 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.701 18.822 -13.063 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.881 21.604 -12.543 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.590 20.876 -10.976 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.973 20.080 -13.427 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.245 21.673 -12.643 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.745 22.523 -13.085 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.350 22.247 -11.372 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.349 19.364 -11.692 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.457 19.934 -10.421 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.924 18.567 -11.460 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.169 17.706 -10.809 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.646 16.990 -9.601 1.00 9.57 C ATOM 2319 C TYR B 61 -4.520 16.732 -8.622 1.00 11.76 C ATOM 2320 O TYR B 61 -3.349 16.795 -8.941 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.266 15.658 -9.998 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.671 15.905 -10.449 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.905 16.604 -11.633 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.741 15.450 -9.671 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -9.213 16.849 -12.047 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -10.050 15.695 -10.084 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.283 16.394 -11.271 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.578 16.628 -11.687 1.00 14.61 O ATOM 0 H TYR B 61 -4.343 17.311 -11.259 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.388 17.625 -9.117 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.688 15.194 -10.797 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.255 14.968 -9.154 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.074 16.955 -12.228 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.554 14.911 -8.754 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.399 17.388 -12.964 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.881 15.346 -9.489 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.598 16.710 -12.663 1.00 14.61 H new ATOM 2338 N THR B 62 -4.899 16.412 -7.426 1.00 12.22 N ATOM 2339 CA THR B 62 -3.922 16.101 -6.369 1.00 14.26 C ATOM 2340 C THR B 62 -4.551 15.030 -5.505 1.00 15.40 C ATOM 2341 O THR B 62 -5.631 15.202 -4.975 1.00 16.24 O ATOM 2342 CB THR B 62 -3.640 17.341 -5.534 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.816 17.714 -4.829 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.207 18.478 -6.456 1.00 11.61 C ATOM 0 H THR B 62 -5.874 16.352 -7.132 1.00 12.22 H new ATOM 0 HA THR B 62 -2.977 15.764 -6.794 1.00 14.26 H new ATOM 0 HB THR B 62 -2.845 17.131 -4.818 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.396 16.931 -4.723 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.003 19.370 -5.863 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.305 18.186 -6.994 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.003 18.691 -7.170 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.915 13.916 -5.380 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.522 12.838 -4.573 1.00 15.17 C ATOM 2354 C VAL B 63 -4.915 13.393 -3.211 1.00 14.24 C ATOM 2355 O VAL B 63 -4.528 14.481 -2.832 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.548 11.682 -4.417 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.335 10.423 -4.069 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.796 11.468 -5.735 1.00 18.64 C ATOM 0 H VAL B 63 -3.009 13.702 -5.796 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.412 12.464 -5.079 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.831 11.902 -3.626 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.648 9.585 -3.954 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.877 10.579 -3.136 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.044 10.204 -4.868 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.097 10.639 -5.625 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.509 11.239 -6.527 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.247 12.374 -5.992 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.693 12.658 -2.479 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.133 13.138 -1.144 1.00 10.78 C ATOM 2370 C HIS B 64 -5.822 12.062 -0.103 1.00 14.19 C ATOM 2371 O HIS B 64 -6.202 10.913 -0.254 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.640 13.409 -1.176 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.003 14.421 -0.122 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.365 14.474 1.107 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.954 15.412 -0.092 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.935 15.458 1.820 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.910 16.066 1.137 1.00 20.65 N ATOM 0 H HIS B 64 -6.046 11.740 -2.747 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.609 14.058 -0.885 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.931 13.776 -2.160 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.188 12.482 -1.006 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.632 15.648 -0.899 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.641 15.726 2.824 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.495 16.841 1.448 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.135 12.421 0.952 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.797 11.423 2.002 1.00 14.44 C ATOM 2387 C LEU B 65 -6.058 11.033 2.782 1.00 12.66 C ATOM 2388 O LEU B 65 -6.008 10.219 3.684 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.746 12.013 2.951 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.422 12.880 3.998 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.396 12.154 5.345 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.692 14.217 4.118 1.00 19.03 C ATOM 0 H LEU B 65 -4.794 13.366 1.128 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.390 10.528 1.531 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.190 11.210 3.435 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.025 12.605 2.387 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.454 13.067 3.703 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.880 12.772 6.101 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.926 11.206 5.258 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.363 11.966 5.637 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.183 14.833 4.871 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.657 14.041 4.411 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.715 14.731 3.157 1.00 19.03 H new ATOM 2404 N SER B 66 -7.194 11.586 2.438 1.00 13.51 N ATOM 2405 CA SER B 66 -8.438 11.212 3.159 1.00 10.39 C ATOM 2406 C SER B 66 -8.611 9.699 3.039 1.00 8.56 C ATOM 2407 O SER B 66 -9.358 9.081 3.772 1.00 11.70 O ATOM 2408 CB SER B 66 -9.634 11.916 2.517 1.00 12.88 C ATOM 2409 OG SER B 66 -10.826 11.220 2.854 1.00 14.72 O ATOM 0 H SER B 66 -7.309 12.275 1.694 1.00 13.51 H new ATOM 0 HA SER B 66 -8.376 11.508 4.206 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.692 12.948 2.863 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.513 11.949 1.434 1.00 12.88 H new ATOM 0 HG SER B 66 -11.535 11.865 3.059 1.00 14.72 H new ATOM 2415 N SER B 67 -7.919 9.105 2.102 1.00 7.98 N ATOM 2416 CA SER B 67 -8.022 7.638 1.897 1.00 8.20 C ATOM 2417 C SER B 67 -6.855 6.919 2.588 1.00 11.02 C ATOM 2418 O SER B 67 -6.796 5.706 2.615 1.00 11.45 O ATOM 2419 CB SER B 67 -7.982 7.343 0.398 1.00 8.01 C ATOM 2420 OG SER B 67 -8.961 8.140 -0.255 1.00 11.22 O ATOM 0 H SER B 67 -7.281 9.583 1.465 1.00 7.98 H new ATOM 0 HA SER B 67 -8.958 7.281 2.326 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.992 7.560 -0.002 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.175 6.286 0.217 1.00 8.01 H new ATOM 0 HG SER B 67 -9.405 7.609 -0.949 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.915 7.650 3.132 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.753 6.990 3.795 1.00 11.79 C ATOM 2428 C PHE B 68 -5.128 6.603 5.227 1.00 12.69 C ATOM 2429 O PHE B 68 -6.052 7.138 5.806 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.558 7.953 3.823 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.282 8.496 2.436 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.008 8.038 1.324 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.321 9.499 2.273 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.768 8.583 0.061 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.086 10.046 1.010 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.810 9.589 -0.094 1.00 11.87 C ATOM 0 H PHE B 68 -5.903 8.670 3.145 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.484 6.094 3.236 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.762 8.776 4.508 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.675 7.436 4.200 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.752 7.264 1.446 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.760 9.851 3.126 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.322 8.228 -0.795 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.345 10.822 0.887 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.629 10.014 -1.070 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.412 5.675 5.800 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.717 5.246 7.193 1.00 15.38 C ATOM 2448 C LYS B 69 -3.422 4.813 7.881 1.00 15.02 C ATOM 2449 O LYS B 69 -2.378 4.728 7.264 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.690 4.065 7.166 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.051 4.528 6.643 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.078 3.411 6.842 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.394 3.796 6.162 1.00 30.24 C ATOM 2454 NZ LYS B 69 -9.715 5.218 6.471 1.00 32.70 N ATOM 0 H LYS B 69 -3.627 5.194 5.362 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.167 6.076 7.738 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.296 3.272 6.530 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -5.798 3.647 8.167 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.369 5.428 7.170 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -6.978 4.787 5.587 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -7.701 2.478 6.424 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -8.243 3.240 7.906 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.313 3.656 5.084 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -10.198 3.147 6.508 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.737 5.374 6.363 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -9.433 5.433 7.449 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -9.199 5.840 5.817 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.481 4.532 9.152 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.254 4.096 9.875 1.00 13.49 C ATOM 2470 C VAL B 70 -2.359 2.599 10.177 1.00 11.85 C ATOM 2471 O VAL B 70 -3.226 2.163 10.908 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.107 4.869 11.185 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.621 5.027 11.519 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.751 6.254 11.058 1.00 15.63 C ATOM 0 H VAL B 70 -4.325 4.585 9.722 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.382 4.292 9.252 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.607 4.317 11.981 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.515 5.578 12.453 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.165 4.043 11.625 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.124 5.573 10.717 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.640 6.795 11.998 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.262 6.811 10.259 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.810 6.143 10.827 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.488 1.809 9.614 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.543 0.338 9.861 1.00 11.07 C ATOM 2486 C GLY B 71 -1.351 0.055 11.353 1.00 12.15 C ATOM 2487 O GLY B 71 -1.112 0.951 12.138 1.00 12.70 O ATOM 0 H GLY B 71 -0.740 2.117 8.993 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -2.501 -0.061 9.526 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -0.768 -0.166 9.283 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.455 -1.185 11.752 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.280 -1.522 13.190 1.00 19.42 C ATOM 2493 C GLN B 72 0.202 -1.728 13.495 1.00 16.97 C ATOM 2494 O GLN B 72 0.573 -2.225 14.540 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.059 -2.792 13.517 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.386 -3.975 12.834 1.00 25.29 C ATOM 2497 CD GLN B 72 -2.323 -4.560 11.777 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -3.248 -5.278 12.097 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -2.120 -4.278 10.519 1.00 25.15 N ATOM 0 H GLN B 72 -1.654 -1.978 11.142 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.658 -0.703 13.801 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.090 -2.948 14.595 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -3.091 -2.699 13.178 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.452 -3.657 12.370 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.132 -4.737 13.571 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -1.343 -3.675 10.251 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -2.739 -4.661 9.804 1.00 25.15 H new ATOM 2508 N PHE B 73 1.047 -1.341 12.589 1.00 14.56 N ATOM 2509 CA PHE B 73 2.510 -1.498 12.809 1.00 14.60 C ATOM 2510 C PHE B 73 3.188 -0.135 12.677 1.00 15.63 C ATOM 2511 O PHE B 73 4.381 -0.038 12.471 1.00 17.80 O ATOM 2512 CB PHE B 73 3.082 -2.456 11.765 1.00 12.63 C ATOM 2513 CG PHE B 73 3.705 -3.635 12.465 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.846 -3.455 13.257 1.00 19.79 C ATOM 2515 CD2 PHE B 73 3.144 -4.910 12.325 1.00 16.27 C ATOM 2516 CE1 PHE B 73 5.426 -4.550 13.907 1.00 18.68 C ATOM 2517 CE2 PHE B 73 3.725 -6.005 12.976 1.00 20.44 C ATOM 2518 CZ PHE B 73 4.866 -5.825 13.767 1.00 17.88 C ATOM 0 H PHE B 73 0.788 -0.919 11.697 1.00 14.56 H new ATOM 0 HA PHE B 73 2.690 -1.901 13.806 1.00 14.60 H new ATOM 0 HB2 PHE B 73 2.294 -2.792 11.092 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.826 -1.945 11.154 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.278 -2.471 13.366 1.00 19.79 H new ATOM 0 HD2 PHE B 73 2.264 -5.049 11.715 1.00 16.27 H new ATOM 0 HE1 PHE B 73 6.306 -4.411 14.517 1.00 18.68 H new ATOM 0 HE2 PHE B 73 3.293 -6.989 12.868 1.00 20.44 H new ATOM 0 HZ PHE B 73 5.314 -6.670 14.269 1.00 17.88 H new ATOM 2528 N GLY B 74 2.432 0.919 12.796 1.00 13.82 N ATOM 2529 CA GLY B 74 3.022 2.282 12.681 1.00 13.44 C ATOM 2530 C GLY B 74 3.495 2.519 11.245 1.00 10.42 C ATOM 2531 O GLY B 74 4.650 2.808 11.004 1.00 13.62 O ATOM 0 H GLY B 74 1.427 0.896 12.969 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.283 3.033 12.960 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.859 2.386 13.372 1.00 13.44 H new ATOM 2535 N SER B 75 2.614 2.399 10.290 1.00 12.64 N ATOM 2536 CA SER B 75 3.022 2.620 8.872 1.00 12.47 C ATOM 2537 C SER B 75 1.860 3.236 8.086 1.00 12.47 C ATOM 2538 O SER B 75 0.731 2.800 8.184 1.00 11.32 O ATOM 2539 CB SER B 75 3.408 1.281 8.242 1.00 11.21 C ATOM 2540 OG SER B 75 3.505 1.437 6.832 1.00 18.27 O ATOM 0 H SER B 75 1.633 2.158 10.428 1.00 12.64 H new ATOM 0 HA SER B 75 3.874 3.299 8.844 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.359 0.936 8.648 1.00 11.21 H new ATOM 0 HB3 SER B 75 2.663 0.523 8.485 1.00 11.21 H new ATOM 0 HG SER B 75 3.754 0.581 6.425 1.00 18.27 H new ATOM 2546 N LEU B 76 2.132 4.245 7.301 1.00 12.43 N ATOM 2547 CA LEU B 76 1.047 4.884 6.502 1.00 12.18 C ATOM 2548 C LEU B 76 0.720 3.994 5.302 1.00 12.07 C ATOM 2549 O LEU B 76 1.587 3.353 4.741 1.00 9.82 O ATOM 2550 CB LEU B 76 1.516 6.255 6.009 1.00 11.99 C ATOM 2551 CG LEU B 76 0.342 7.236 6.034 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.687 8.421 6.939 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.070 7.740 4.614 1.00 7.80 C ATOM 0 H LEU B 76 3.059 4.654 7.179 1.00 12.43 H new ATOM 0 HA LEU B 76 0.158 5.008 7.121 1.00 12.18 H new ATOM 0 HB2 LEU B 76 2.325 6.623 6.640 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.914 6.173 4.997 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.545 6.733 6.418 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.149 9.120 6.957 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.882 8.062 7.950 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.574 8.926 6.556 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.766 8.439 4.630 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.957 8.244 4.231 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.175 6.896 3.969 1.00 7.80 H new ATOM 2565 N MET B 77 -0.523 3.940 4.903 1.00 14.08 N ATOM 2566 CA MET B 77 -0.890 3.080 3.741 1.00 14.12 C ATOM 2567 C MET B 77 -2.190 3.584 3.112 1.00 11.37 C ATOM 2568 O MET B 77 -3.223 3.631 3.750 1.00 11.44 O ATOM 2569 CB MET B 77 -1.092 1.636 4.211 1.00 16.48 C ATOM 2570 CG MET B 77 -0.136 1.324 5.365 1.00 24.75 C ATOM 2571 SD MET B 77 -0.508 -0.319 6.024 1.00 35.11 S ATOM 2572 CE MET B 77 -2.182 0.047 6.607 1.00 33.86 C ATOM 0 H MET B 77 -1.296 4.451 5.329 1.00 14.08 H new ATOM 0 HA MET B 77 -0.087 3.120 3.005 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.123 1.490 4.532 1.00 16.48 H new ATOM 0 HB3 MET B 77 -0.915 0.947 3.385 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.896 1.364 5.018 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.238 2.074 6.149 1.00 24.75 H new ATOM 0 HE1 MET B 77 -2.491 -0.712 7.326 1.00 33.86 H new ATOM 0 HE2 MET B 77 -2.195 1.026 7.085 1.00 33.86 H new ATOM 0 HE3 MET B 77 -2.870 0.047 5.761 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.151 3.949 1.860 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.388 4.435 1.187 1.00 11.62 C ATOM 2584 C ILE B 78 -4.429 3.314 1.167 1.00 11.45 C ATOM 2585 O ILE B 78 -4.123 2.176 0.871 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.075 4.810 -0.255 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.086 5.975 -0.297 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.368 5.207 -0.966 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.853 5.561 -1.102 1.00 13.67 C ATOM 0 H ILE B 78 -1.316 3.932 1.274 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.767 5.301 1.729 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.627 3.952 -0.757 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.554 6.849 -0.750 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.796 6.258 0.715 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.147 5.476 -1.999 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.064 4.368 -0.950 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.816 6.060 -0.457 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.145 6.389 -1.135 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.382 4.699 -0.629 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.152 5.299 -2.117 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.659 3.628 1.449 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.724 2.582 1.411 1.00 14.79 C ATOM 2603 C ASP B 79 -7.484 2.724 0.094 1.00 15.20 C ATOM 2604 O ASP B 79 -7.981 1.769 -0.471 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.685 2.774 2.587 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.262 1.419 3.001 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.206 0.979 2.365 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -7.750 0.844 3.947 1.00 21.87 O ATOM 0 H ASP B 79 -5.977 4.563 1.705 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.279 1.590 1.485 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.162 3.230 3.427 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.490 3.453 2.306 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.550 3.925 -0.396 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.241 4.206 -1.683 1.00 17.14 C ATOM 2615 C ARG B 80 -8.043 5.685 -1.982 1.00 14.98 C ATOM 2616 O ARG B 80 -8.945 6.488 -1.868 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.734 3.884 -1.569 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.386 3.986 -2.951 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.564 2.584 -3.536 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.430 2.279 -4.452 1.00 33.10 N ATOM 2621 CZ ARG B 80 -9.200 1.048 -4.825 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -9.965 0.079 -4.399 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.202 0.786 -5.624 1.00 35.04 N ATOM 0 H ARG B 80 -7.144 4.746 0.052 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.832 3.589 -2.483 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.871 2.881 -1.164 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.214 4.576 -0.877 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.352 4.484 -2.873 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.767 4.592 -3.613 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.606 1.847 -2.734 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.509 2.521 -4.076 1.00 28.43 H new ATOM 0 HE ARG B 80 -8.831 3.033 -4.789 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.745 0.282 -3.773 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.783 -0.881 -4.692 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -7.603 1.542 -5.956 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -8.021 -0.174 -5.916 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.838 6.030 -2.325 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.474 7.445 -2.603 1.00 11.27 C ATOM 2639 C LEU B 81 -7.660 8.231 -3.178 1.00 15.61 C ATOM 2640 O LEU B 81 -8.168 7.934 -4.240 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.275 7.462 -3.557 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.738 7.567 -5.005 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.512 7.663 -5.917 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.544 6.313 -5.363 1.00 18.72 C ATOM 0 H LEU B 81 -6.067 5.371 -2.428 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.203 7.938 -1.669 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.625 8.303 -3.316 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.685 6.555 -3.424 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.360 8.453 -5.135 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.836 7.738 -6.955 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.931 8.546 -5.653 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.896 6.773 -5.793 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.880 6.379 -6.398 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.917 5.430 -5.241 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.410 6.237 -4.705 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.090 9.248 -2.479 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.221 10.074 -2.976 1.00 12.72 C ATOM 2658 C ARG B 82 -8.646 11.196 -3.835 1.00 13.33 C ATOM 2659 O ARG B 82 -7.975 12.081 -3.346 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.983 10.672 -1.792 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.247 9.851 -1.529 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.669 10.021 -0.070 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.764 11.028 0.015 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.475 11.134 1.105 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.225 10.365 2.131 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.437 12.013 1.171 1.00 16.89 N ATOM 0 H ARG B 82 -7.703 9.541 -1.582 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.907 9.462 -3.561 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.350 10.678 -0.905 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.247 11.708 -2.002 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -12.049 10.176 -2.191 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.062 8.799 -1.745 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.005 9.067 0.336 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -10.818 10.341 0.531 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.959 11.636 -0.780 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -12.472 9.679 2.082 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -13.783 10.451 2.981 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.633 12.616 0.372 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.993 12.097 2.022 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.872 11.152 -5.112 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.303 12.205 -5.996 1.00 13.86 C ATOM 2682 C LEU B 83 -9.167 13.462 -5.984 1.00 13.02 C ATOM 2683 O LEU B 83 -10.379 13.409 -5.918 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.217 11.692 -7.429 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.802 11.892 -7.970 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.815 11.710 -9.490 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.323 13.305 -7.630 1.00 10.58 C ATOM 0 H LEU B 83 -9.424 10.436 -5.584 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.310 12.450 -5.620 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.482 10.635 -7.463 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.934 12.221 -8.057 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.129 11.163 -7.519 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.808 11.852 -9.882 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.161 10.705 -9.733 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.485 12.443 -9.939 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.314 13.450 -8.015 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.993 14.035 -8.084 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.321 13.438 -6.548 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.531 14.595 -6.065 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.257 15.882 -6.081 1.00 12.86 C ATOM 2701 C VAL B 84 -8.476 16.847 -6.980 1.00 14.98 C ATOM 2702 O VAL B 84 -7.297 16.657 -7.196 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.309 16.426 -4.655 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.875 15.356 -3.719 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.896 16.806 -4.201 1.00 17.34 C ATOM 0 H VAL B 84 -7.516 14.679 -6.122 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.273 15.761 -6.457 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.949 17.308 -4.627 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.912 15.745 -2.702 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.881 15.086 -4.041 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.236 14.473 -3.747 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.933 17.194 -3.183 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.255 15.925 -4.230 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.493 17.570 -4.866 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.139 17.862 -7.463 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.501 18.874 -8.320 1.00 22.41 C ATOM 2717 C PRO B 85 -7.380 19.590 -7.550 1.00 25.70 C ATOM 2718 O PRO B 85 -7.462 19.778 -6.352 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.651 19.802 -8.711 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.754 19.561 -7.668 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.560 18.113 -7.190 1.00 20.63 C ATOM 0 HA PRO B 85 -8.013 18.463 -9.204 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.331 20.844 -8.709 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.008 19.580 -9.717 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.669 20.263 -6.838 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.743 19.701 -8.104 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.793 18.003 -6.131 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.204 17.420 -7.732 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.321 19.966 -8.223 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.183 20.640 -7.526 1.00 39.94 C ATOM 2731 C ALA B 86 -5.579 22.071 -7.157 1.00 46.96 C ATOM 2732 O ALA B 86 -5.893 22.878 -8.009 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.965 20.668 -8.456 1.00 39.70 C ATOM 0 H ALA B 86 -6.196 19.835 -9.227 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.937 20.091 -6.617 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.133 21.159 -7.951 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.681 19.648 -8.715 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.213 21.217 -9.364 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.565 22.392 -5.892 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.938 23.771 -5.468 1.00 55.12 C ATOM 2741 C LYS B 87 -4.770 24.402 -4.708 1.00 55.82 C ATOM 2742 O LYS B 87 -3.871 23.670 -4.328 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.166 23.711 -4.554 1.00 52.96 C ATOM 2744 CG LYS B 87 -8.391 23.280 -5.364 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.859 21.904 -4.888 1.00 56.64 C ATOM 2746 CE LYS B 87 -9.563 22.043 -3.537 1.00 58.91 C ATOM 2747 NZ LYS B 87 -10.828 21.255 -3.551 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.794 25.607 -4.519 1.00 57.66 O ATOM 0 H LYS B 87 -5.311 21.759 -5.134 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.169 24.372 -6.348 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.991 23.008 -3.739 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.342 24.687 -4.101 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -9.193 24.009 -5.247 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -8.145 23.245 -6.425 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -9.537 21.466 -5.620 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.007 21.229 -4.799 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -8.911 21.690 -2.738 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.778 23.092 -3.333 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -11.306 21.350 -2.632 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -11.451 21.611 -4.304 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -10.611 20.253 -3.727 1.00 58.16 H new