USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 CYS SG : rot -160:sc= 1.34 USER MOD Set 1.2: A 90 SER OG : rot 30:sc= 0.627 USER MOD Set 2.1: A 52 THR OG1 : rot 79:sc= 0.827 USER MOD Set 2.2: A 58 HIS : no HE2:sc= 0.21 K(o=1,f=-5.1!) USER MOD Set 3.1: A 48 TYR OH : rot 98:sc= 0.75 USER MOD Set 3.2: A 60 CYS SG : rot -98:sc= 1.57 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 133:sc= 2.48 (180deg=1.03) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -43:sc= 0.32 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0282) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 51 GLN : amide:sc= 0.0835 K(o=0.084,f=-0.58) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 77:sc= 0.955 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 68 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.5!) USER MOD Single : A 80 CYS SG : rot -91:sc= -1.96! USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= 1.29 (180deg=1.14) USER MOD Single : A 87 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.34) USER MOD Single : A 94 TYR OH : rot -125:sc= 0.769 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 0.606 (180deg=0.515) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 168:sc=-0.00325 (180deg=-0.11) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 2.55 K(o=2.6,f=-6.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 116 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.19) USER MOD Single : A 120 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=-0.48) USER MOD Single : A 121 CYS SG : rot -150:sc= -1.04 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.63 K(o=1.6,f=-6.5!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -3.64! K(o=-3.6!,f=-0.89) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 THR OG1 : rot -87:sc= 1.32 USER MOD Single : B 38 LYS NZ :NH3+ 165:sc= 2.25 (180deg=2.16) USER MOD Single : B 39 THR OG1 : rot -34:sc= 1.66 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0.153 K(o=0.15,f=-3.7!) USER MOD Single : B 52 SER OG : rot 85:sc=-0.00473 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.0548 K(o=-0.055,f=-1.2) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ -146:sc= 1.19 (180deg=1.02) USER MOD Single : B 62 SER OG : rot -86:sc= 0.636 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= -0.194 USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ 137:sc= 0.321 (180deg=-1.62!) USER MOD Single : B 82 LYS NZ :NH3+ -140:sc= 1.25 (180deg=-0.486) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0.00815 USER MOD Single : B 89 GLN : amide:sc= 0.379 X(o=0.38,f=-0.08) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 93 HIS : no HD1:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0.229 USER MOD Single : B 99 HIS : no HE2:sc= -1.71 K(o=-0.14,f=-7.3!) USER MOD Single : B 103 LYS NZ :NH3+ -172:sc= 0.941 (180deg=0.888) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.521 21.344 8.108 1.00 0.79 N ATOM 2 CA LYS A 21 -12.744 20.508 8.168 1.00 0.63 C ATOM 3 C LYS A 21 -12.515 19.180 7.460 1.00 0.53 C ATOM 4 O LYS A 21 -11.460 18.953 6.866 1.00 0.61 O ATOM 5 CB LYS A 21 -13.929 21.241 7.525 1.00 0.62 C ATOM 6 CG LYS A 21 -13.926 21.203 6.003 1.00 0.66 C ATOM 7 CD LYS A 21 -15.228 21.720 5.414 1.00 0.77 C ATOM 8 CE LYS A 21 -15.348 23.227 5.558 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.478 23.772 4.760 1.00 1.10 N ATOM 0 HA LYS A 21 -12.974 20.316 9.216 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.857 20.799 7.888 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -13.922 22.281 7.853 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.096 21.802 5.628 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.758 20.180 5.667 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.284 21.449 4.360 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -16.070 21.238 5.912 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.490 23.481 6.608 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.418 23.697 5.239 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.526 24.803 4.885 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.331 23.552 3.754 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.369 23.342 5.081 1.00 1.10 H new ATOM 23 N TYR A 22 -13.506 18.302 7.526 1.00 0.49 N ATOM 24 CA TYR A 22 -13.409 17.000 6.886 1.00 0.49 C ATOM 25 C TYR A 22 -13.975 17.075 5.474 1.00 0.47 C ATOM 26 O TYR A 22 -15.051 17.638 5.262 1.00 0.57 O ATOM 27 CB TYR A 22 -14.169 15.930 7.685 1.00 0.56 C ATOM 28 CG TYR A 22 -13.980 16.000 9.190 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.756 16.336 9.754 1.00 0.56 C ATOM 30 CD2 TYR A 22 -15.037 15.715 10.046 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.593 16.389 11.127 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.881 15.766 11.417 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.660 16.101 11.953 1.00 0.65 C ATOM 34 OH TYR A 22 -13.508 16.156 13.322 1.00 0.75 O ATOM 0 H TYR A 22 -14.385 18.468 8.016 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.356 16.720 6.849 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.232 16.019 7.463 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.852 14.946 7.339 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.918 16.560 9.110 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.998 15.449 9.631 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.635 16.654 11.550 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.715 15.544 12.066 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.357 15.926 13.755 1.00 0.75 H new ATOM 44 N LEU A 23 -13.245 16.527 4.512 1.00 0.41 N ATOM 45 CA LEU A 23 -13.687 16.523 3.121 1.00 0.43 C ATOM 46 C LEU A 23 -14.823 15.526 2.946 1.00 0.43 C ATOM 47 O LEU A 23 -15.809 15.797 2.260 1.00 0.52 O ATOM 48 CB LEU A 23 -12.523 16.166 2.193 1.00 0.45 C ATOM 49 CG LEU A 23 -11.327 17.121 2.252 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.094 16.473 1.645 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.650 18.427 1.538 1.00 0.70 C ATOM 0 H LEU A 23 -12.342 16.078 4.668 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.043 17.520 2.860 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.178 15.162 2.438 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.893 16.135 1.168 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.118 17.343 3.298 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.255 17.167 1.696 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.849 15.567 2.199 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.292 16.219 0.604 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.789 19.093 1.590 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.887 18.222 0.494 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.506 18.902 2.018 1.00 0.70 H new ATOM 63 N VAL A 24 -14.660 14.368 3.573 1.00 0.42 N ATOM 64 CA VAL A 24 -15.650 13.302 3.542 1.00 0.46 C ATOM 65 C VAL A 24 -15.787 12.731 4.946 1.00 0.43 C ATOM 66 O VAL A 24 -14.783 12.520 5.623 1.00 0.44 O ATOM 67 CB VAL A 24 -15.253 12.165 2.566 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.327 11.087 2.517 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.990 12.712 1.173 1.00 0.76 C ATOM 0 H VAL A 24 -13.830 14.142 4.121 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.593 13.721 3.192 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.333 11.715 2.939 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.023 10.302 1.825 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.462 10.662 3.512 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.267 11.525 2.179 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.713 11.894 0.507 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.890 13.197 0.797 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.177 13.437 1.214 1.00 0.76 H new ATOM 79 N GLU A 25 -17.015 12.520 5.396 1.00 0.45 N ATOM 80 CA GLU A 25 -17.254 11.976 6.725 1.00 0.45 C ATOM 81 C GLU A 25 -18.511 11.110 6.737 1.00 0.47 C ATOM 82 O GLU A 25 -19.520 11.456 6.118 1.00 0.55 O ATOM 83 CB GLU A 25 -17.383 13.106 7.756 1.00 0.49 C ATOM 84 CG GLU A 25 -18.423 14.159 7.395 1.00 0.56 C ATOM 85 CD GLU A 25 -18.613 15.193 8.487 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.385 14.931 9.438 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.001 16.279 8.399 1.00 0.95 O ATOM 0 H GLU A 25 -17.861 12.717 4.861 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.401 11.353 6.993 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.639 12.674 8.723 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.414 13.592 7.871 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -18.123 14.660 6.475 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.376 13.669 7.195 1.00 0.56 H new ATOM 94 N PHE A 26 -18.434 9.975 7.420 1.00 0.43 N ATOM 95 CA PHE A 26 -19.563 9.058 7.538 1.00 0.46 C ATOM 96 C PHE A 26 -19.363 8.128 8.729 1.00 0.45 C ATOM 97 O PHE A 26 -18.234 7.915 9.172 1.00 0.44 O ATOM 98 CB PHE A 26 -19.760 8.244 6.249 1.00 0.47 C ATOM 99 CG PHE A 26 -18.553 7.452 5.817 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.594 8.021 5.001 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.394 6.134 6.212 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.492 7.295 4.590 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.297 5.402 5.802 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.346 5.981 4.990 1.00 0.51 C ATOM 0 H PHE A 26 -17.593 9.664 7.906 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.464 9.651 7.698 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.596 7.559 6.392 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.039 8.924 5.444 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.707 9.046 4.680 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -19.136 5.674 6.848 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.747 7.754 3.957 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -17.184 4.375 6.118 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.489 5.409 4.667 1.00 0.51 H new ATOM 114 N ARG A 27 -20.454 7.588 9.245 1.00 0.47 N ATOM 115 CA ARG A 27 -20.393 6.691 10.385 1.00 0.47 C ATOM 116 C ARG A 27 -20.101 5.269 9.937 1.00 0.45 C ATOM 117 O ARG A 27 -20.881 4.659 9.202 1.00 0.46 O ATOM 118 CB ARG A 27 -21.704 6.744 11.167 1.00 0.51 C ATOM 119 CG ARG A 27 -21.923 8.061 11.885 1.00 0.55 C ATOM 120 CD ARG A 27 -23.386 8.260 12.234 1.00 0.61 C ATOM 121 NE ARG A 27 -24.220 8.375 11.040 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.465 8.837 11.049 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.033 9.215 12.188 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.148 8.911 9.914 1.00 0.77 N ATOM 0 H ARG A 27 -21.396 7.756 8.891 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.581 7.016 11.036 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.534 6.569 10.483 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.716 5.934 11.897 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.323 8.086 12.795 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.582 8.883 11.255 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.732 7.422 12.839 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.495 9.159 12.841 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.823 8.083 10.147 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.513 9.151 13.063 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.990 9.569 12.188 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.717 8.614 9.039 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -27.105 9.265 9.917 1.00 0.77 H new ATOM 138 N ALA A 28 -18.973 4.745 10.386 1.00 0.44 N ATOM 139 CA ALA A 28 -18.559 3.401 10.043 1.00 0.43 C ATOM 140 C ALA A 28 -17.697 2.818 11.150 1.00 0.42 C ATOM 141 O ALA A 28 -16.936 3.535 11.807 1.00 0.44 O ATOM 142 CB ALA A 28 -17.813 3.394 8.717 1.00 0.42 C ATOM 0 H ALA A 28 -18.323 5.240 10.996 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.448 2.779 9.935 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.510 2.375 8.476 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.465 3.774 7.931 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.929 4.027 8.793 1.00 0.42 H new ATOM 148 N GLY A 29 -17.832 1.526 11.362 1.00 0.43 N ATOM 149 CA GLY A 29 -17.062 0.863 12.384 1.00 0.43 C ATOM 150 C GLY A 29 -15.875 0.144 11.790 1.00 0.41 C ATOM 151 O GLY A 29 -15.950 -0.363 10.673 1.00 0.46 O ATOM 0 H GLY A 29 -18.465 0.919 10.841 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.719 1.594 13.117 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.694 0.151 12.915 1.00 0.43 H new ATOM 155 N LYS A 30 -14.777 0.115 12.518 1.00 0.42 N ATOM 156 CA LYS A 30 -13.574 -0.555 12.048 1.00 0.42 C ATOM 157 C LYS A 30 -13.511 -1.970 12.600 1.00 0.41 C ATOM 158 O LYS A 30 -14.333 -2.359 13.432 1.00 0.45 O ATOM 159 CB LYS A 30 -12.325 0.226 12.461 1.00 0.48 C ATOM 160 CG LYS A 30 -12.159 0.366 13.964 1.00 0.54 C ATOM 161 CD LYS A 30 -10.781 0.887 14.317 1.00 0.67 C ATOM 162 CE LYS A 30 -10.595 0.976 15.819 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.210 1.363 16.184 1.00 0.60 N ATOM 0 H LYS A 30 -14.689 0.547 13.438 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.609 -0.601 10.960 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.445 -0.271 12.052 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.365 1.220 12.015 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -12.918 1.044 14.355 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.319 -0.601 14.442 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -10.022 0.230 13.892 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -10.637 1.871 13.871 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -11.295 1.704 16.229 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -10.834 0.014 16.272 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -9.237 2.117 16.900 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.709 0.537 16.570 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -8.711 1.706 15.338 1.00 0.60 H new ATOM 177 N MET A 31 -12.551 -2.744 12.127 1.00 0.43 N ATOM 178 CA MET A 31 -12.377 -4.107 12.591 1.00 0.44 C ATOM 179 C MET A 31 -10.975 -4.282 13.150 1.00 0.46 C ATOM 180 O MET A 31 -10.034 -3.621 12.707 1.00 0.55 O ATOM 181 CB MET A 31 -12.641 -5.102 11.456 1.00 0.46 C ATOM 182 CG MET A 31 -13.956 -4.857 10.728 1.00 0.47 C ATOM 183 SD MET A 31 -14.527 -6.290 9.797 1.00 0.54 S ATOM 184 CE MET A 31 -15.933 -5.585 8.940 1.00 0.61 C ATOM 0 H MET A 31 -11.878 -2.450 11.419 1.00 0.43 H new ATOM 0 HA MET A 31 -13.098 -4.308 13.383 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.822 -5.049 10.739 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.643 -6.113 11.863 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.719 -4.575 11.454 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.836 -4.014 10.048 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.400 -6.348 8.317 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.657 -5.218 9.668 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.600 -4.759 8.312 1.00 0.61 H new ATOM 194 N SER A 32 -10.842 -5.142 14.139 1.00 0.49 N ATOM 195 CA SER A 32 -9.557 -5.384 14.760 1.00 0.52 C ATOM 196 C SER A 32 -9.072 -6.798 14.474 1.00 0.52 C ATOM 197 O SER A 32 -9.839 -7.758 14.559 1.00 0.54 O ATOM 198 CB SER A 32 -9.668 -5.169 16.269 1.00 0.59 C ATOM 199 OG SER A 32 -10.649 -4.189 16.574 1.00 0.93 O ATOM 0 H SER A 32 -11.611 -5.686 14.531 1.00 0.49 H new ATOM 0 HA SER A 32 -8.834 -4.684 14.342 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.925 -6.110 16.756 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.702 -4.858 16.667 1.00 0.59 H new ATOM 0 HG SER A 32 -10.702 -4.071 17.545 1.00 0.93 H new ATOM 205 N LEU A 33 -7.801 -6.920 14.119 1.00 0.54 N ATOM 206 CA LEU A 33 -7.207 -8.214 13.849 1.00 0.56 C ATOM 207 C LEU A 33 -6.697 -8.811 15.153 1.00 0.58 C ATOM 208 O LEU A 33 -5.590 -8.506 15.603 1.00 0.63 O ATOM 209 CB LEU A 33 -6.064 -8.087 12.837 1.00 0.58 C ATOM 210 CG LEU A 33 -5.376 -9.405 12.468 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.322 -10.308 11.691 1.00 0.62 C ATOM 212 CD2 LEU A 33 -4.115 -9.142 11.662 1.00 0.67 C ATOM 0 H LEU A 33 -7.162 -6.132 14.012 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.963 -8.871 13.419 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.454 -7.631 11.927 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.316 -7.405 13.240 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.098 -9.913 13.392 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.813 -11.238 11.439 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.198 -10.528 12.301 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.634 -9.806 10.775 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.640 -10.090 11.409 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.373 -8.610 10.746 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.426 -8.537 12.251 1.00 0.67 H new ATOM 224 N LYS A 34 -7.520 -9.640 15.768 1.00 0.59 N ATOM 225 CA LYS A 34 -7.169 -10.272 17.026 1.00 0.63 C ATOM 226 C LYS A 34 -6.578 -11.651 16.772 1.00 0.65 C ATOM 227 O LYS A 34 -7.298 -12.597 16.436 1.00 0.68 O ATOM 228 CB LYS A 34 -8.401 -10.356 17.930 1.00 0.66 C ATOM 229 CG LYS A 34 -9.084 -9.011 18.117 1.00 0.68 C ATOM 230 CD LYS A 34 -10.165 -9.061 19.188 1.00 0.76 C ATOM 231 CE LYS A 34 -10.789 -7.686 19.399 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.813 -7.681 20.477 1.00 1.01 N ATOM 0 H LYS A 34 -8.442 -9.893 15.414 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.415 -9.670 17.533 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.112 -11.064 17.504 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.106 -10.748 18.904 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.340 -8.262 18.388 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.525 -8.695 17.172 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.937 -9.774 18.898 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.737 -9.418 20.125 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.005 -6.969 19.644 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.246 -7.352 18.468 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.205 -6.723 20.579 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.577 -8.344 20.233 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.374 -7.973 21.374 1.00 1.01 H new ATOM 246 N GLY A 35 -5.260 -11.750 16.918 1.00 0.66 N ATOM 247 CA GLY A 35 -4.564 -13.003 16.690 1.00 0.70 C ATOM 248 C GLY A 35 -4.498 -13.345 15.216 1.00 0.70 C ATOM 249 O GLY A 35 -3.474 -13.133 14.558 1.00 0.75 O ATOM 0 H GLY A 35 -4.656 -10.975 17.193 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.554 -12.937 17.094 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -5.071 -13.804 17.228 1.00 0.70 H new ATOM 253 N THR A 36 -5.597 -13.868 14.703 1.00 0.68 N ATOM 254 CA THR A 36 -5.700 -14.235 13.306 1.00 0.70 C ATOM 255 C THR A 36 -7.162 -14.158 12.855 1.00 0.68 C ATOM 256 O THR A 36 -7.515 -14.593 11.760 1.00 0.72 O ATOM 257 CB THR A 36 -5.126 -15.651 13.059 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.964 -15.886 11.653 1.00 0.82 O ATOM 259 CG2 THR A 36 -6.021 -16.729 13.659 1.00 0.77 C ATOM 0 H THR A 36 -6.442 -14.049 15.245 1.00 0.68 H new ATOM 0 HA THR A 36 -5.110 -13.532 12.718 1.00 0.70 H new ATOM 0 HB THR A 36 -4.154 -15.701 13.550 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.755 -15.561 11.174 1.00 0.82 H new ATOM 0 HG21 THR A 36 -5.587 -17.710 13.467 1.00 0.77 H new ATOM 0 HG22 THR A 36 -6.106 -16.574 14.735 1.00 0.77 H new ATOM 0 HG23 THR A 36 -7.011 -16.674 13.205 1.00 0.77 H new ATOM 267 N THR A 37 -7.999 -13.572 13.700 1.00 0.66 N ATOM 268 CA THR A 37 -9.415 -13.447 13.406 1.00 0.66 C ATOM 269 C THR A 37 -9.840 -11.986 13.361 1.00 0.61 C ATOM 270 O THR A 37 -9.564 -11.219 14.288 1.00 0.61 O ATOM 271 CB THR A 37 -10.260 -14.186 14.465 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.525 -15.309 14.978 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.574 -14.670 13.870 1.00 0.81 C ATOM 0 H THR A 37 -7.718 -13.175 14.597 1.00 0.66 H new ATOM 0 HA THR A 37 -9.584 -13.897 12.428 1.00 0.66 H new ATOM 0 HB THR A 37 -10.479 -13.489 15.274 1.00 0.71 H new ATOM 0 HG1 THR A 37 -10.065 -15.774 15.651 1.00 0.79 H new ATOM 0 HG21 THR A 37 -12.151 -15.188 14.636 1.00 0.81 H new ATOM 0 HG22 THR A 37 -12.143 -13.816 13.502 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.370 -15.353 13.046 1.00 0.81 H new ATOM 281 N VAL A 38 -10.487 -11.598 12.274 1.00 0.60 N ATOM 282 CA VAL A 38 -10.962 -10.235 12.114 1.00 0.57 C ATOM 283 C VAL A 38 -12.218 -10.021 12.955 1.00 0.57 C ATOM 284 O VAL A 38 -13.269 -10.605 12.688 1.00 0.64 O ATOM 285 CB VAL A 38 -11.264 -9.910 10.632 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.786 -8.490 10.479 1.00 0.59 C ATOM 287 CG2 VAL A 38 -10.021 -10.114 9.779 1.00 0.61 C ATOM 0 H VAL A 38 -10.696 -12.212 11.486 1.00 0.60 H new ATOM 0 HA VAL A 38 -10.173 -9.563 12.453 1.00 0.57 H new ATOM 0 HB VAL A 38 -12.040 -10.594 10.288 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.990 -8.289 9.427 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.704 -8.376 11.055 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -11.038 -7.786 10.845 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -10.251 -9.881 8.739 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -9.226 -9.456 10.131 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.694 -11.151 9.855 1.00 0.61 H new ATOM 297 N THR A 39 -12.097 -9.205 13.987 1.00 0.56 N ATOM 298 CA THR A 39 -13.217 -8.926 14.867 1.00 0.58 C ATOM 299 C THR A 39 -13.697 -7.489 14.706 1.00 0.55 C ATOM 300 O THR A 39 -12.998 -6.551 15.091 1.00 0.55 O ATOM 301 CB THR A 39 -12.825 -9.166 16.333 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.914 -10.270 16.417 1.00 0.67 O ATOM 303 CG2 THR A 39 -14.050 -9.455 17.181 1.00 0.74 C ATOM 0 H THR A 39 -11.233 -8.724 14.236 1.00 0.56 H new ATOM 0 HA THR A 39 -14.026 -9.602 14.592 1.00 0.58 H new ATOM 0 HB THR A 39 -12.346 -8.263 16.711 1.00 0.64 H new ATOM 0 HG1 THR A 39 -12.027 -10.722 17.279 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.746 -9.621 18.214 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.732 -8.606 17.136 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.553 -10.345 16.803 1.00 0.74 H new ATOM 311 N PRO A 40 -14.883 -7.294 14.106 1.00 0.55 N ATOM 312 CA PRO A 40 -15.459 -5.962 13.914 1.00 0.54 C ATOM 313 C PRO A 40 -15.775 -5.292 15.241 1.00 0.56 C ATOM 314 O PRO A 40 -16.363 -5.911 16.131 1.00 0.63 O ATOM 315 CB PRO A 40 -16.753 -6.227 13.130 1.00 0.56 C ATOM 316 CG PRO A 40 -16.627 -7.613 12.596 1.00 0.65 C ATOM 317 CD PRO A 40 -15.746 -8.354 13.558 1.00 0.58 C ATOM 0 HA PRO A 40 -14.772 -5.291 13.398 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.627 -6.134 13.775 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.875 -5.506 12.322 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.604 -8.090 12.517 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.193 -7.607 11.596 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.326 -8.845 14.339 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.165 -9.128 13.058 1.00 0.58 H new ATOM 325 N ASP A 41 -15.376 -4.036 15.378 1.00 0.53 N ATOM 326 CA ASP A 41 -15.625 -3.290 16.603 1.00 0.56 C ATOM 327 C ASP A 41 -17.118 -3.027 16.744 1.00 0.58 C ATOM 328 O ASP A 41 -17.832 -2.898 15.744 1.00 0.66 O ATOM 329 CB ASP A 41 -14.851 -1.965 16.606 1.00 0.57 C ATOM 330 CG ASP A 41 -14.517 -1.482 18.009 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.432 -1.411 18.861 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.333 -1.159 18.266 1.00 0.68 O ATOM 0 H ASP A 41 -14.879 -3.513 14.657 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.279 -3.883 17.449 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.928 -2.087 16.039 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.440 -1.204 16.095 1.00 0.57 H new ATOM 337 N LYS A 42 -17.587 -2.964 17.975 1.00 0.61 N ATOM 338 CA LYS A 42 -18.995 -2.725 18.244 1.00 0.64 C ATOM 339 C LYS A 42 -19.220 -1.262 18.605 1.00 0.64 C ATOM 340 O LYS A 42 -20.338 -0.844 18.898 1.00 0.76 O ATOM 341 CB LYS A 42 -19.471 -3.628 19.386 1.00 0.71 C ATOM 342 CG LYS A 42 -19.131 -5.095 19.184 1.00 0.72 C ATOM 343 CD LYS A 42 -19.435 -5.916 20.427 1.00 0.84 C ATOM 344 CE LYS A 42 -19.055 -7.380 20.250 1.00 0.90 C ATOM 345 NZ LYS A 42 -17.583 -7.580 20.198 1.00 1.08 N ATOM 0 H LYS A 42 -17.012 -3.075 18.810 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.569 -2.957 17.347 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.024 -3.285 20.319 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.551 -3.525 19.493 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.698 -5.488 18.340 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.075 -5.193 18.932 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -18.893 -5.501 21.277 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.497 -5.843 20.659 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -19.469 -7.962 21.073 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.504 -7.761 19.332 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -17.371 -8.598 20.179 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.202 -7.131 19.341 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -17.144 -7.151 21.038 1.00 1.08 H new ATOM 359 N ARG A 43 -18.146 -0.491 18.589 1.00 0.58 N ATOM 360 CA ARG A 43 -18.210 0.926 18.918 1.00 0.58 C ATOM 361 C ARG A 43 -18.690 1.760 17.740 1.00 0.55 C ATOM 362 O ARG A 43 -18.607 1.340 16.586 1.00 0.55 O ATOM 363 CB ARG A 43 -16.834 1.425 19.345 1.00 0.58 C ATOM 364 CG ARG A 43 -16.538 1.238 20.820 1.00 0.60 C ATOM 365 CD ARG A 43 -15.145 1.731 21.155 1.00 0.60 C ATOM 366 NE ARG A 43 -14.138 1.125 20.288 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.017 1.733 19.914 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.754 2.969 20.319 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.169 1.112 19.105 1.00 0.57 N ATOM 0 H ARG A 43 -17.212 -0.824 18.350 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.924 1.036 19.734 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.074 0.903 18.764 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.751 2.484 19.100 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.273 1.780 21.415 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.629 0.184 21.083 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.108 2.816 21.054 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.917 1.500 22.196 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.305 0.178 19.949 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.415 3.460 20.922 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.891 3.429 20.027 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.378 0.171 18.772 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.308 1.576 18.816 1.00 0.57 H new ATOM 383 N LYS A 44 -19.199 2.945 18.048 1.00 0.57 N ATOM 384 CA LYS A 44 -19.666 3.870 17.032 1.00 0.56 C ATOM 385 C LYS A 44 -18.486 4.690 16.537 1.00 0.53 C ATOM 386 O LYS A 44 -17.878 5.439 17.305 1.00 0.59 O ATOM 387 CB LYS A 44 -20.748 4.798 17.592 1.00 0.62 C ATOM 388 CG LYS A 44 -22.039 4.086 17.954 1.00 0.70 C ATOM 389 CD LYS A 44 -23.177 5.076 18.159 1.00 0.79 C ATOM 390 CE LYS A 44 -24.473 4.378 18.533 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.619 5.325 18.563 1.00 1.07 N ATOM 0 H LYS A 44 -19.298 3.288 19.003 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.102 3.305 16.208 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.360 5.300 18.478 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -20.965 5.573 16.857 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.303 3.383 17.164 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.893 3.503 18.863 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.906 5.783 18.943 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.325 5.653 17.246 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.677 3.582 17.817 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.364 3.907 19.510 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.486 4.813 18.822 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.435 6.071 19.264 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.739 5.755 17.624 1.00 1.07 H new ATOM 405 N GLY A 45 -18.154 4.549 15.268 1.00 0.52 N ATOM 406 CA GLY A 45 -17.024 5.271 14.731 1.00 0.51 C ATOM 407 C GLY A 45 -17.391 6.248 13.644 1.00 0.48 C ATOM 408 O GLY A 45 -18.465 6.155 13.042 1.00 0.50 O ATOM 0 H GLY A 45 -18.643 3.951 14.602 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.530 5.810 15.540 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.302 4.556 14.336 1.00 0.51 H new ATOM 412 N LEU A 46 -16.495 7.187 13.403 1.00 0.46 N ATOM 413 CA LEU A 46 -16.688 8.196 12.383 1.00 0.45 C ATOM 414 C LEU A 46 -15.462 8.249 11.483 1.00 0.41 C ATOM 415 O LEU A 46 -14.371 8.614 11.926 1.00 0.42 O ATOM 416 CB LEU A 46 -16.933 9.566 13.024 1.00 0.47 C ATOM 417 CG LEU A 46 -17.268 10.693 12.046 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.669 10.515 11.474 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.138 12.041 12.734 1.00 0.59 C ATOM 0 H LEU A 46 -15.614 7.270 13.910 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.562 7.936 11.786 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.750 9.473 13.740 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.045 9.849 13.589 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.559 10.654 11.219 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.885 11.328 10.781 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.728 9.563 10.946 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.397 10.526 12.285 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.379 12.835 12.027 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.825 12.086 13.579 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.116 12.171 13.090 1.00 0.59 H new ATOM 431 N VAL A 47 -15.638 7.850 10.234 1.00 0.40 N ATOM 432 CA VAL A 47 -14.552 7.863 9.271 1.00 0.39 C ATOM 433 C VAL A 47 -14.549 9.195 8.541 1.00 0.37 C ATOM 434 O VAL A 47 -15.578 9.625 8.015 1.00 0.40 O ATOM 435 CB VAL A 47 -14.676 6.707 8.254 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.576 6.792 7.210 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.629 5.367 8.967 1.00 0.43 C ATOM 0 H VAL A 47 -16.526 7.512 9.863 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.615 7.727 9.810 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.637 6.797 7.747 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.681 5.969 6.503 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.652 7.740 6.677 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.604 6.728 7.699 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.718 4.563 8.237 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.683 5.271 9.499 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.453 5.304 9.678 1.00 0.43 H new ATOM 447 N TYR A 48 -13.404 9.856 8.523 1.00 0.37 N ATOM 448 CA TYR A 48 -13.306 11.144 7.872 1.00 0.37 C ATOM 449 C TYR A 48 -11.984 11.299 7.134 1.00 0.34 C ATOM 450 O TYR A 48 -10.986 10.661 7.470 1.00 0.36 O ATOM 451 CB TYR A 48 -13.468 12.269 8.904 1.00 0.43 C ATOM 452 CG TYR A 48 -12.263 12.459 9.802 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.104 11.712 10.966 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.282 13.388 9.484 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.003 11.887 11.781 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.179 13.568 10.294 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.044 12.818 11.439 1.00 0.64 C ATOM 458 OH TYR A 48 -8.942 12.994 12.243 1.00 0.78 O ATOM 0 H TYR A 48 -12.539 9.523 8.948 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.108 11.208 7.137 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.668 13.203 8.379 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.340 12.058 9.523 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.854 10.984 11.236 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.384 13.981 8.587 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.893 11.299 12.680 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.425 14.295 10.030 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.187 12.488 11.878 1.00 0.78 H new ATOM 468 N ILE A 49 -12.006 12.145 6.115 1.00 0.33 N ATOM 469 CA ILE A 49 -10.827 12.440 5.319 1.00 0.32 C ATOM 470 C ILE A 49 -10.454 13.906 5.504 1.00 0.30 C ATOM 471 O ILE A 49 -11.228 14.800 5.150 1.00 0.35 O ATOM 472 CB ILE A 49 -11.058 12.151 3.816 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.502 10.701 3.613 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.790 12.434 3.018 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.809 10.352 2.174 1.00 0.69 C ATOM 0 H ILE A 49 -12.843 12.646 5.818 1.00 0.33 H new ATOM 0 HA ILE A 49 -10.018 11.794 5.660 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.848 12.809 3.456 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.719 10.037 3.979 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.388 10.514 4.219 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.970 12.226 1.963 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.510 13.481 3.139 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.982 11.798 3.381 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -12.117 9.308 2.110 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.613 10.990 1.808 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.919 10.505 1.564 1.00 0.69 H new ATOM 487 N GLN A 50 -9.287 14.157 6.070 1.00 0.30 N ATOM 488 CA GLN A 50 -8.843 15.520 6.313 1.00 0.33 C ATOM 489 C GLN A 50 -7.497 15.779 5.660 1.00 0.30 C ATOM 490 O GLN A 50 -6.586 14.963 5.758 1.00 0.36 O ATOM 491 CB GLN A 50 -8.754 15.774 7.820 1.00 0.42 C ATOM 492 CG GLN A 50 -8.323 17.186 8.181 1.00 0.51 C ATOM 493 CD GLN A 50 -8.245 17.408 9.676 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.932 16.494 10.443 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.532 18.624 10.104 1.00 0.86 N ATOM 0 H GLN A 50 -8.630 13.437 6.370 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.570 16.203 5.873 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.726 15.575 8.270 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.049 15.066 8.257 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.349 17.389 7.736 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.026 17.898 7.748 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -8.786 19.353 9.437 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.499 18.835 11.101 1.00 0.86 H new ATOM 504 N GLN A 51 -7.376 16.909 4.985 1.00 0.37 N ATOM 505 CA GLN A 51 -6.131 17.271 4.329 1.00 0.37 C ATOM 506 C GLN A 51 -5.382 18.300 5.165 1.00 0.39 C ATOM 507 O GLN A 51 -5.915 19.370 5.469 1.00 0.51 O ATOM 508 CB GLN A 51 -6.404 17.826 2.933 1.00 0.44 C ATOM 509 CG GLN A 51 -5.169 17.874 2.052 1.00 0.52 C ATOM 510 CD GLN A 51 -5.459 18.448 0.684 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.287 19.344 0.539 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.778 17.937 -0.331 1.00 0.93 N ATOM 0 H GLN A 51 -8.125 17.592 4.877 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.516 16.377 4.231 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.164 17.213 2.448 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.816 18.831 3.024 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.401 18.475 2.540 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.765 16.868 1.943 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.099 17.194 -0.167 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.932 18.287 -1.277 1.00 0.93 H new ATOM 521 N THR A 52 -4.152 17.974 5.541 1.00 0.38 N ATOM 522 CA THR A 52 -3.344 18.871 6.354 1.00 0.45 C ATOM 523 C THR A 52 -2.775 20.023 5.522 1.00 0.36 C ATOM 524 O THR A 52 -2.972 20.076 4.307 1.00 0.33 O ATOM 525 CB THR A 52 -2.199 18.108 7.047 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.808 16.977 6.256 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.628 17.634 8.428 1.00 0.80 C ATOM 0 H THR A 52 -3.694 17.096 5.296 1.00 0.38 H new ATOM 0 HA THR A 52 -3.999 19.291 7.117 1.00 0.45 H new ATOM 0 HB THR A 52 -1.353 18.788 7.152 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.240 17.276 5.516 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.805 17.097 8.900 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.899 18.494 9.040 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.487 16.970 8.334 1.00 0.80 H new ATOM 535 N ASP A 53 -2.055 20.929 6.180 1.00 0.40 N ATOM 536 CA ASP A 53 -1.473 22.100 5.518 1.00 0.41 C ATOM 537 C ASP A 53 -0.416 21.718 4.484 1.00 0.39 C ATOM 538 O ASP A 53 -0.094 22.507 3.597 1.00 0.52 O ATOM 539 CB ASP A 53 -0.866 23.048 6.552 1.00 0.52 C ATOM 540 CG ASP A 53 0.366 22.486 7.238 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.280 21.385 7.824 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.422 23.154 7.210 1.00 0.74 O ATOM 0 H ASP A 53 -1.858 20.876 7.179 1.00 0.40 H new ATOM 0 HA ASP A 53 -2.283 22.602 4.990 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.604 23.986 6.063 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.618 23.280 7.306 1.00 0.52 H new ATOM 547 N ASP A 54 0.112 20.511 4.592 1.00 0.42 N ATOM 548 CA ASP A 54 1.126 20.031 3.655 1.00 0.55 C ATOM 549 C ASP A 54 0.464 19.291 2.496 1.00 0.45 C ATOM 550 O ASP A 54 1.127 18.599 1.718 1.00 0.52 O ATOM 551 CB ASP A 54 2.149 19.129 4.358 1.00 0.73 C ATOM 552 CG ASP A 54 1.515 18.118 5.296 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.320 17.808 5.124 1.00 0.65 O ATOM 554 OD2 ASP A 54 2.210 17.634 6.217 1.00 1.10 O ATOM 0 H ASP A 54 -0.142 19.841 5.318 1.00 0.42 H new ATOM 0 HA ASP A 54 1.661 20.895 3.261 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.733 18.599 3.606 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.844 19.751 4.922 1.00 0.73 H new ATOM 559 N SER A 55 -0.856 19.452 2.399 1.00 0.36 N ATOM 560 CA SER A 55 -1.664 18.837 1.346 1.00 0.40 C ATOM 561 C SER A 55 -1.694 17.313 1.460 1.00 0.37 C ATOM 562 O SER A 55 -2.034 16.618 0.503 1.00 0.52 O ATOM 563 CB SER A 55 -1.157 19.264 -0.037 1.00 0.57 C ATOM 564 OG SER A 55 -1.066 20.679 -0.133 1.00 0.66 O ATOM 0 H SER A 55 -1.398 20.017 3.053 1.00 0.36 H new ATOM 0 HA SER A 55 -2.687 19.190 1.473 1.00 0.40 H new ATOM 0 HB2 SER A 55 -0.179 18.820 -0.222 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.830 18.886 -0.807 1.00 0.57 H new ATOM 0 HG SER A 55 -0.739 20.926 -1.023 1.00 0.66 H new ATOM 570 N LEU A 56 -1.368 16.802 2.639 1.00 0.28 N ATOM 571 CA LEU A 56 -1.368 15.366 2.868 1.00 0.31 C ATOM 572 C LEU A 56 -2.751 14.885 3.288 1.00 0.27 C ATOM 573 O LEU A 56 -3.372 15.444 4.198 1.00 0.30 O ATOM 574 CB LEU A 56 -0.325 14.987 3.922 1.00 0.38 C ATOM 575 CG LEU A 56 1.123 14.997 3.426 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.079 14.641 4.553 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.285 14.035 2.262 1.00 0.48 C ATOM 0 H LEU A 56 -1.101 17.360 3.450 1.00 0.28 H new ATOM 0 HA LEU A 56 -1.105 14.874 1.932 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.411 15.676 4.762 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.557 13.992 4.301 1.00 0.38 H new ATOM 0 HG LEU A 56 1.365 16.003 3.082 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.103 14.654 4.179 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.978 15.368 5.359 1.00 0.49 H new ATOM 0 HD13 LEU A 56 1.843 13.646 4.930 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.319 14.051 1.918 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.025 13.027 2.584 1.00 0.48 H new ATOM 0 HD23 LEU A 56 0.627 14.336 1.447 1.00 0.48 H new ATOM 589 N ILE A 57 -3.232 13.860 2.605 1.00 0.27 N ATOM 590 CA ILE A 57 -4.538 13.288 2.887 1.00 0.26 C ATOM 591 C ILE A 57 -4.478 12.384 4.114 1.00 0.24 C ATOM 592 O ILE A 57 -3.757 11.389 4.127 1.00 0.29 O ATOM 593 CB ILE A 57 -5.059 12.482 1.680 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.189 13.383 0.446 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.390 11.823 2.006 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.264 14.443 0.569 1.00 0.57 C ATOM 0 H ILE A 57 -2.731 13.403 1.843 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.223 14.112 3.084 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.337 11.697 1.457 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.232 13.870 0.262 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.403 12.762 -0.424 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.739 11.260 1.140 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.264 11.147 2.852 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -7.123 12.589 2.260 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.294 15.039 -0.343 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.231 13.964 0.721 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -6.042 15.090 1.418 1.00 0.57 H new ATOM 608 N HIS A 58 -5.223 12.743 5.147 1.00 0.25 N ATOM 609 CA HIS A 58 -5.252 11.962 6.373 1.00 0.27 C ATOM 610 C HIS A 58 -6.552 11.184 6.501 1.00 0.27 C ATOM 611 O HIS A 58 -7.639 11.766 6.546 1.00 0.33 O ATOM 612 CB HIS A 58 -5.079 12.864 7.598 1.00 0.32 C ATOM 613 CG HIS A 58 -3.650 13.091 7.986 1.00 0.39 C ATOM 614 ND1 HIS A 58 -3.067 12.501 9.088 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.687 13.855 7.417 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.810 12.888 9.180 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.554 13.709 8.179 1.00 0.59 N ATOM 0 H HIS A 58 -5.817 13.572 5.161 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.423 11.256 6.326 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.548 13.827 7.397 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.609 12.421 8.441 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.536 11.864 9.732 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.791 14.464 6.531 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.109 12.585 9.944 1.00 0.61 H new ATOM 626 N PHE A 59 -6.424 9.868 6.541 1.00 0.27 N ATOM 627 CA PHE A 59 -7.558 8.979 6.704 1.00 0.28 C ATOM 628 C PHE A 59 -7.544 8.485 8.143 1.00 0.31 C ATOM 629 O PHE A 59 -6.670 7.701 8.525 1.00 0.36 O ATOM 630 CB PHE A 59 -7.452 7.806 5.728 1.00 0.31 C ATOM 631 CG PHE A 59 -8.694 6.963 5.624 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.695 7.294 4.725 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.852 5.834 6.412 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.830 6.514 4.616 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.985 5.049 6.303 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.975 5.390 5.404 1.00 0.94 C ATOM 0 H PHE A 59 -5.528 9.387 6.461 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.492 9.499 6.492 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.209 8.194 4.739 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.622 7.170 6.034 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.587 8.170 4.103 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.082 5.564 7.119 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.605 6.784 3.914 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.095 4.170 6.921 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.861 4.779 5.317 1.00 0.94 H new ATOM 646 N CYS A 60 -8.482 8.956 8.946 1.00 0.33 N ATOM 647 CA CYS A 60 -8.504 8.583 10.347 1.00 0.38 C ATOM 648 C CYS A 60 -9.868 8.093 10.813 1.00 0.38 C ATOM 649 O CYS A 60 -10.904 8.417 10.226 1.00 0.40 O ATOM 650 CB CYS A 60 -8.086 9.783 11.199 1.00 0.43 C ATOM 651 SG CYS A 60 -7.193 11.068 10.290 1.00 0.46 S ATOM 0 H CYS A 60 -9.228 9.588 8.657 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.805 7.755 10.466 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.977 10.224 11.647 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.459 9.431 12.018 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.914 10.919 10.471 1.00 0.46 H new ATOM 657 N TRP A 61 -9.838 7.305 11.880 1.00 0.39 N ATOM 658 CA TRP A 61 -11.039 6.770 12.500 1.00 0.39 C ATOM 659 C TRP A 61 -11.167 7.390 13.884 1.00 0.42 C ATOM 660 O TRP A 61 -10.284 7.223 14.732 1.00 0.45 O ATOM 661 CB TRP A 61 -10.972 5.242 12.600 1.00 0.40 C ATOM 662 CG TRP A 61 -12.260 4.613 13.054 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.309 4.243 12.265 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.629 4.279 14.399 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.308 3.700 13.035 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.915 3.709 14.348 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.999 4.404 15.643 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.579 3.267 15.490 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.661 3.967 16.774 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.940 3.403 16.691 1.00 0.52 C ATOM 0 H TRP A 61 -8.974 7.019 12.341 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.910 7.016 11.892 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.701 4.834 11.626 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.178 4.966 13.294 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.348 4.360 11.192 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.199 3.347 12.686 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.012 4.835 15.717 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.565 2.832 15.429 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.184 4.062 17.738 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.431 3.069 17.593 1.00 0.52 H new ATOM 681 N LYS A 62 -12.249 8.117 14.109 1.00 0.46 N ATOM 682 CA LYS A 62 -12.456 8.791 15.378 1.00 0.50 C ATOM 683 C LYS A 62 -13.578 8.157 16.194 1.00 0.51 C ATOM 684 O LYS A 62 -14.625 7.788 15.654 1.00 0.51 O ATOM 685 CB LYS A 62 -12.760 10.269 15.116 1.00 0.57 C ATOM 686 CG LYS A 62 -12.628 11.164 16.335 1.00 0.63 C ATOM 687 CD LYS A 62 -12.700 12.629 15.940 1.00 0.75 C ATOM 688 CE LYS A 62 -12.698 13.541 17.154 1.00 0.93 C ATOM 689 NZ LYS A 62 -12.869 14.969 16.778 1.00 1.04 N ATOM 0 H LYS A 62 -12.997 8.255 13.429 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.544 8.693 15.966 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.088 10.633 14.339 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.774 10.355 14.726 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.421 10.935 17.047 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -11.681 10.964 16.837 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -11.853 12.875 15.299 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -13.603 12.804 15.355 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -13.500 13.246 17.831 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -11.761 13.419 17.698 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -12.862 15.557 17.636 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.090 15.259 16.153 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -13.775 15.091 16.282 1.00 1.04 H new ATOM 703 N ASP A 63 -13.334 8.017 17.492 1.00 0.53 N ATOM 704 CA ASP A 63 -14.324 7.468 18.413 1.00 0.55 C ATOM 705 C ASP A 63 -15.411 8.515 18.636 1.00 0.57 C ATOM 706 O ASP A 63 -15.110 9.665 18.952 1.00 0.62 O ATOM 707 CB ASP A 63 -13.660 7.095 19.748 1.00 0.61 C ATOM 708 CG ASP A 63 -14.528 6.211 20.631 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.721 6.533 20.824 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.013 5.196 21.148 1.00 1.09 O ATOM 0 H ASP A 63 -12.452 8.278 17.933 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.763 6.564 17.990 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.720 6.582 19.546 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.415 8.008 20.291 1.00 0.61 H new ATOM 715 N ARG A 64 -16.665 8.130 18.468 1.00 0.58 N ATOM 716 CA ARG A 64 -17.768 9.073 18.624 1.00 0.61 C ATOM 717 C ARG A 64 -18.192 9.242 20.081 1.00 0.66 C ATOM 718 O ARG A 64 -19.041 10.079 20.389 1.00 0.75 O ATOM 719 CB ARG A 64 -18.965 8.632 17.787 1.00 0.63 C ATOM 720 CG ARG A 64 -18.740 8.764 16.289 1.00 0.63 C ATOM 721 CD ARG A 64 -20.023 8.527 15.513 1.00 0.65 C ATOM 722 NE ARG A 64 -21.038 9.538 15.804 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.347 9.291 15.859 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.812 8.066 15.643 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.190 10.272 16.131 1.00 1.14 N ATOM 0 H ARG A 64 -16.947 7.180 18.226 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.408 10.040 18.273 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.199 7.593 18.021 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.834 9.226 18.069 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.355 9.759 16.064 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.982 8.049 15.969 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.806 8.530 14.445 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.416 7.540 15.756 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.725 10.493 15.976 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.166 7.305 15.433 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.815 7.886 15.687 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -22.839 11.215 16.298 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.192 10.086 16.174 1.00 1.14 H new ATOM 739 N THR A 65 -17.610 8.460 20.976 1.00 0.68 N ATOM 740 CA THR A 65 -17.956 8.552 22.386 1.00 0.74 C ATOM 741 C THR A 65 -16.978 9.445 23.142 1.00 0.75 C ATOM 742 O THR A 65 -17.385 10.387 23.820 1.00 0.83 O ATOM 743 CB THR A 65 -17.989 7.163 23.044 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.187 6.160 22.043 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.104 7.077 24.077 1.00 0.93 C ATOM 0 H THR A 65 -16.902 7.760 20.755 1.00 0.68 H new ATOM 0 HA THR A 65 -18.951 8.994 22.439 1.00 0.74 H new ATOM 0 HB THR A 65 -17.036 6.999 23.548 1.00 0.76 H new ATOM 0 HG1 THR A 65 -17.349 6.014 21.556 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.106 6.085 24.528 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.942 7.827 24.851 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.064 7.258 23.593 1.00 0.93 H new ATOM 753 N SER A 66 -15.689 9.155 23.014 1.00 0.71 N ATOM 754 CA SER A 66 -14.662 9.933 23.695 1.00 0.75 C ATOM 755 C SER A 66 -14.174 11.088 22.829 1.00 0.73 C ATOM 756 O SER A 66 -13.635 12.072 23.337 1.00 0.79 O ATOM 757 CB SER A 66 -13.489 9.027 24.069 1.00 0.75 C ATOM 758 OG SER A 66 -13.314 8.012 23.095 1.00 0.75 O ATOM 0 H SER A 66 -15.330 8.388 22.446 1.00 0.71 H new ATOM 0 HA SER A 66 -15.100 10.355 24.600 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.578 9.619 24.154 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.668 8.576 25.045 1.00 0.75 H new ATOM 0 HG SER A 66 -12.558 7.442 23.349 1.00 0.75 H new ATOM 764 N GLY A 67 -14.367 10.967 21.521 1.00 0.67 N ATOM 765 CA GLY A 67 -13.920 12.004 20.616 1.00 0.67 C ATOM 766 C GLY A 67 -12.421 11.957 20.421 1.00 0.65 C ATOM 767 O GLY A 67 -11.761 12.995 20.348 1.00 0.70 O ATOM 0 H GLY A 67 -14.823 10.172 21.074 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.418 11.888 19.653 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.207 12.980 21.008 1.00 0.67 H new ATOM 771 N ASN A 68 -11.882 10.749 20.336 1.00 0.63 N ATOM 772 CA ASN A 68 -10.449 10.559 20.166 1.00 0.63 C ATOM 773 C ASN A 68 -10.145 9.838 18.864 1.00 0.58 C ATOM 774 O ASN A 68 -10.886 8.941 18.450 1.00 0.58 O ATOM 775 CB ASN A 68 -9.868 9.761 21.338 1.00 0.68 C ATOM 776 CG ASN A 68 -9.417 10.645 22.481 1.00 0.85 C ATOM 777 OD1 ASN A 68 -8.991 11.783 22.275 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.501 10.127 23.692 1.00 1.01 N ATOM 0 H ASN A 68 -12.418 9.883 20.382 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.987 11.546 20.138 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.618 9.059 21.701 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.023 9.170 20.986 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.207 10.673 24.502 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.860 9.181 23.818 1.00 1.01 H new ATOM 785 N VAL A 69 -9.061 10.238 18.220 1.00 0.56 N ATOM 786 CA VAL A 69 -8.639 9.627 16.972 1.00 0.53 C ATOM 787 C VAL A 69 -7.713 8.451 17.264 1.00 0.51 C ATOM 788 O VAL A 69 -6.592 8.640 17.748 1.00 0.59 O ATOM 789 CB VAL A 69 -7.918 10.646 16.065 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.458 9.988 14.772 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.827 11.830 15.770 1.00 0.63 C ATOM 0 H VAL A 69 -8.453 10.990 18.545 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.527 9.276 16.447 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.036 11.010 16.592 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -6.952 10.725 14.148 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.770 9.175 15.002 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.322 9.592 14.238 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.304 12.540 15.129 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.727 11.480 15.265 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.102 12.319 16.704 1.00 0.63 H new ATOM 801 N GLU A 70 -8.185 7.244 16.991 1.00 0.49 N ATOM 802 CA GLU A 70 -7.396 6.046 17.239 1.00 0.51 C ATOM 803 C GLU A 70 -6.443 5.780 16.082 1.00 0.50 C ATOM 804 O GLU A 70 -5.225 5.731 16.261 1.00 0.62 O ATOM 805 CB GLU A 70 -8.306 4.836 17.447 1.00 0.55 C ATOM 806 CG GLU A 70 -9.402 5.070 18.471 1.00 0.81 C ATOM 807 CD GLU A 70 -9.904 3.788 19.097 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.945 2.747 18.404 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.260 3.809 20.295 1.00 0.71 O ATOM 0 H GLU A 70 -9.110 7.068 16.598 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.813 6.210 18.145 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.762 4.566 16.494 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.701 3.986 17.763 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.026 5.728 19.254 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.235 5.586 17.993 1.00 0.81 H new ATOM 816 N ASP A 71 -7.010 5.623 14.896 1.00 0.47 N ATOM 817 CA ASP A 71 -6.223 5.349 13.701 1.00 0.46 C ATOM 818 C ASP A 71 -6.076 6.607 12.859 1.00 0.43 C ATOM 819 O ASP A 71 -7.028 7.369 12.706 1.00 0.46 O ATOM 820 CB ASP A 71 -6.879 4.242 12.870 1.00 0.51 C ATOM 821 CG ASP A 71 -6.917 2.914 13.596 1.00 0.57 C ATOM 822 OD1 ASP A 71 -7.617 2.809 14.626 1.00 0.61 O ATOM 823 OD2 ASP A 71 -6.243 1.963 13.140 1.00 0.73 O ATOM 0 H ASP A 71 -8.015 5.681 14.734 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.233 5.017 14.014 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.895 4.540 12.612 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.334 4.124 11.933 1.00 0.51 H new ATOM 828 N ASP A 72 -4.877 6.812 12.326 1.00 0.43 N ATOM 829 CA ASP A 72 -4.573 7.975 11.491 1.00 0.42 C ATOM 830 C ASP A 72 -3.480 7.616 10.498 1.00 0.42 C ATOM 831 O ASP A 72 -2.346 7.333 10.889 1.00 0.52 O ATOM 832 CB ASP A 72 -4.124 9.162 12.355 1.00 0.48 C ATOM 833 CG ASP A 72 -3.572 10.316 11.534 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.369 11.138 11.035 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.332 10.423 11.404 1.00 1.05 O ATOM 0 H ASP A 72 -4.088 6.180 12.458 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.475 8.264 10.952 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.969 9.515 12.946 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.362 8.826 13.058 1.00 0.48 H new ATOM 840 N LEU A 73 -3.822 7.600 9.218 1.00 0.36 N ATOM 841 CA LEU A 73 -2.855 7.254 8.186 1.00 0.38 C ATOM 842 C LEU A 73 -2.865 8.267 7.046 1.00 0.34 C ATOM 843 O LEU A 73 -3.911 8.799 6.675 1.00 0.42 O ATOM 844 CB LEU A 73 -3.144 5.853 7.637 1.00 0.44 C ATOM 845 CG LEU A 73 -2.911 4.704 8.622 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.577 3.436 8.121 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.423 4.471 8.833 1.00 0.92 C ATOM 0 H LEU A 73 -4.755 7.821 8.870 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.866 7.268 8.643 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.181 5.818 7.302 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.520 5.689 6.759 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.355 4.977 9.579 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.403 2.628 8.832 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.649 3.604 8.019 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -3.158 3.164 7.152 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.279 3.651 9.536 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.956 4.219 7.881 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.966 5.376 9.233 1.00 0.92 H new ATOM 859 N ILE A 74 -1.684 8.541 6.509 1.00 0.29 N ATOM 860 CA ILE A 74 -1.546 9.465 5.395 1.00 0.28 C ATOM 861 C ILE A 74 -1.658 8.687 4.085 1.00 0.30 C ATOM 862 O ILE A 74 -0.831 7.830 3.793 1.00 0.51 O ATOM 863 CB ILE A 74 -0.201 10.219 5.457 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.004 10.816 6.854 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.158 11.311 4.401 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.389 11.389 7.080 1.00 0.59 C ATOM 0 H ILE A 74 -0.805 8.134 6.829 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.342 10.208 5.453 1.00 0.28 H new ATOM 0 HB ILE A 74 0.606 9.514 5.257 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.734 11.602 7.014 1.00 0.43 H new ATOM 0 HG13 ILE A 74 -0.185 10.044 7.600 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.797 11.834 4.457 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.270 10.866 3.412 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.970 12.018 4.575 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.456 11.792 8.091 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.133 10.603 6.953 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.576 12.185 6.359 1.00 0.59 H new ATOM 878 N ILE A 75 -2.679 8.987 3.307 1.00 0.24 N ATOM 879 CA ILE A 75 -2.924 8.264 2.065 1.00 0.23 C ATOM 880 C ILE A 75 -2.290 8.941 0.848 1.00 0.24 C ATOM 881 O ILE A 75 -2.152 10.164 0.797 1.00 0.26 O ATOM 882 CB ILE A 75 -4.439 8.090 1.830 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.124 7.574 3.102 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.694 7.144 0.670 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.571 6.255 3.606 1.00 0.31 C ATOM 0 H ILE A 75 -3.354 9.725 3.508 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.452 7.288 2.178 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.861 9.063 1.580 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.022 8.323 3.887 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.190 7.459 2.908 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.768 7.034 0.520 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.240 7.548 -0.235 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.257 6.170 0.892 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.106 5.957 4.507 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.697 5.491 2.839 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.511 6.368 3.834 1.00 0.31 H new ATOM 897 N PHE A 76 -1.901 8.116 -0.126 1.00 0.27 N ATOM 898 CA PHE A 76 -1.287 8.587 -1.360 1.00 0.31 C ATOM 899 C PHE A 76 -1.840 7.807 -2.551 1.00 0.32 C ATOM 900 O PHE A 76 -2.354 6.695 -2.384 1.00 0.35 O ATOM 901 CB PHE A 76 0.233 8.401 -1.316 1.00 0.34 C ATOM 902 CG PHE A 76 0.896 9.041 -0.137 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.299 10.363 -0.189 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.115 8.320 1.022 1.00 0.40 C ATOM 905 CE1 PHE A 76 1.909 10.955 0.896 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.725 8.905 2.110 1.00 0.50 C ATOM 907 CZ PHE A 76 2.121 10.224 2.047 1.00 0.58 C ATOM 0 H PHE A 76 -2.005 7.102 -0.077 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.518 9.647 -1.467 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.457 7.334 -1.310 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.665 8.812 -2.229 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.134 10.937 -1.089 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.805 7.287 1.075 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.220 11.988 0.845 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.893 8.332 3.010 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.598 10.686 2.899 1.00 0.58 H new ATOM 917 N PRO A 77 -1.757 8.377 -3.767 1.00 0.36 N ATOM 918 CA PRO A 77 -2.227 7.712 -4.982 1.00 0.38 C ATOM 919 C PRO A 77 -1.299 6.570 -5.391 1.00 0.33 C ATOM 920 O PRO A 77 -0.232 6.393 -4.801 1.00 0.33 O ATOM 921 CB PRO A 77 -2.209 8.821 -6.044 1.00 0.45 C ATOM 922 CG PRO A 77 -1.967 10.093 -5.305 1.00 0.55 C ATOM 923 CD PRO A 77 -1.225 9.713 -4.059 1.00 0.44 C ATOM 0 HA PRO A 77 -3.211 7.263 -4.847 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.426 8.643 -6.781 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.154 8.858 -6.586 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.385 10.790 -5.908 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.907 10.589 -5.063 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.147 9.694 -4.219 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.415 10.412 -3.245 1.00 0.44 H new ATOM 931 N ASP A 78 -1.711 5.811 -6.410 1.00 0.40 N ATOM 932 CA ASP A 78 -0.946 4.667 -6.932 1.00 0.46 C ATOM 933 C ASP A 78 -0.548 3.709 -5.807 1.00 0.45 C ATOM 934 O ASP A 78 0.462 3.004 -5.909 1.00 0.60 O ATOM 935 CB ASP A 78 0.322 5.099 -7.728 1.00 0.53 C ATOM 936 CG ASP A 78 0.478 6.601 -7.909 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.286 7.201 -8.702 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.384 7.191 -7.269 1.00 1.36 O ATOM 0 H ASP A 78 -2.590 5.971 -6.902 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.611 4.153 -7.626 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.204 4.715 -7.216 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.295 4.629 -8.711 1.00 0.53 H new ATOM 943 N ASP A 79 -1.355 3.651 -4.748 1.00 0.53 N ATOM 944 CA ASP A 79 -1.033 2.795 -3.612 1.00 0.61 C ATOM 945 C ASP A 79 -2.276 2.313 -2.865 1.00 0.59 C ATOM 946 O ASP A 79 -2.615 1.135 -2.903 1.00 1.11 O ATOM 947 CB ASP A 79 -0.122 3.548 -2.643 1.00 0.80 C ATOM 948 CG ASP A 79 0.972 2.674 -2.074 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.944 2.380 -2.808 1.00 1.44 O ATOM 950 OD2 ASP A 79 0.881 2.294 -0.891 1.00 1.74 O ATOM 0 H ASP A 79 -2.223 4.179 -4.655 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.528 1.914 -4.008 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.328 4.397 -3.158 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.721 3.952 -1.827 1.00 0.80 H new ATOM 955 N CYS A 80 -2.949 3.224 -2.175 1.00 0.50 N ATOM 956 CA CYS A 80 -4.127 2.865 -1.393 1.00 0.46 C ATOM 957 C CYS A 80 -5.382 2.745 -2.257 1.00 0.43 C ATOM 958 O CYS A 80 -5.610 3.550 -3.166 1.00 0.60 O ATOM 959 CB CYS A 80 -4.335 3.893 -0.286 1.00 0.63 C ATOM 960 SG CYS A 80 -2.812 4.342 0.577 1.00 0.90 S ATOM 0 H CYS A 80 -2.702 4.213 -2.140 1.00 0.50 H new ATOM 0 HA CYS A 80 -3.952 1.882 -0.955 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.779 4.792 -0.714 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.049 3.498 0.436 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.651 3.564 1.606 1.00 0.90 H new ATOM 966 N GLU A 81 -6.191 1.734 -1.956 1.00 0.34 N ATOM 967 CA GLU A 81 -7.425 1.475 -2.680 1.00 0.39 C ATOM 968 C GLU A 81 -8.522 1.026 -1.715 1.00 0.36 C ATOM 969 O GLU A 81 -8.331 0.083 -0.950 1.00 0.45 O ATOM 970 CB GLU A 81 -7.174 0.397 -3.736 1.00 0.49 C ATOM 971 CG GLU A 81 -8.387 0.055 -4.577 1.00 0.74 C ATOM 972 CD GLU A 81 -8.071 -0.985 -5.630 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.987 -2.180 -5.283 1.00 1.15 O ATOM 974 OE2 GLU A 81 -7.897 -0.610 -6.810 1.00 1.32 O ATOM 0 H GLU A 81 -6.007 1.072 -1.202 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.755 2.391 -3.170 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.372 0.730 -4.395 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.824 -0.508 -3.239 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.184 -0.313 -3.931 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.760 0.958 -5.060 1.00 0.74 H new ATOM 981 N PHE A 82 -9.657 1.709 -1.747 1.00 0.34 N ATOM 982 CA PHE A 82 -10.780 1.379 -0.877 1.00 0.32 C ATOM 983 C PHE A 82 -11.919 0.784 -1.703 1.00 0.33 C ATOM 984 O PHE A 82 -12.260 1.313 -2.758 1.00 0.42 O ATOM 985 CB PHE A 82 -11.250 2.643 -0.146 1.00 0.35 C ATOM 986 CG PHE A 82 -12.128 2.381 1.047 1.00 0.34 C ATOM 987 CD1 PHE A 82 -11.582 1.951 2.245 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.497 2.580 0.974 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.385 1.722 3.348 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.304 2.351 2.072 1.00 0.47 C ATOM 991 CZ PHE A 82 -13.747 1.923 3.260 1.00 0.43 C ATOM 0 H PHE A 82 -9.826 2.499 -2.369 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.465 0.641 -0.139 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.375 3.207 0.179 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.793 3.274 -0.850 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.516 1.793 2.319 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.939 2.918 0.048 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -11.946 1.387 4.276 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.370 2.507 2.001 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.376 1.746 4.119 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.497 -0.319 -1.242 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.589 -0.951 -1.972 1.00 0.38 C ATOM 1003 C LYS A 83 -14.454 -1.809 -1.059 1.00 0.37 C ATOM 1004 O LYS A 83 -14.082 -2.093 0.079 1.00 0.38 O ATOM 1005 CB LYS A 83 -13.042 -1.798 -3.126 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.918 -2.737 -2.722 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.210 -3.294 -3.941 1.00 0.69 C ATOM 1008 CE LYS A 83 -10.063 -4.206 -3.548 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.182 -4.499 -4.705 1.00 1.44 N ATOM 0 H LYS A 83 -12.232 -0.790 -0.377 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.215 -0.156 -2.377 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.857 -2.384 -3.551 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.683 -1.134 -3.912 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.204 -2.205 -2.094 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.320 -3.556 -2.125 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.921 -3.846 -4.556 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.832 -2.473 -4.550 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.480 -3.738 -2.754 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.459 -5.138 -3.145 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.680 -5.395 -4.541 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.757 -4.577 -5.568 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.490 -3.731 -4.818 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.605 -2.217 -1.576 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.550 -3.040 -0.831 1.00 0.43 C ATOM 1025 C ARG A 84 -16.326 -4.516 -1.126 1.00 0.44 C ATOM 1026 O ARG A 84 -15.961 -4.885 -2.244 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.985 -2.653 -1.213 1.00 0.47 C ATOM 1028 CG ARG A 84 -19.059 -3.431 -0.468 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.363 -3.457 -1.244 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.214 -4.114 -2.544 1.00 0.71 N ATOM 1031 CZ ARG A 84 -20.917 -5.177 -2.933 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -21.836 -5.706 -2.131 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -20.702 -5.708 -4.132 1.00 0.96 N ATOM 0 H ARG A 84 -15.910 -1.988 -2.522 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.394 -2.869 0.234 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -18.125 -1.589 -1.023 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.118 -2.806 -2.284 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.717 -4.451 -0.294 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -19.225 -2.980 0.510 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.122 -3.977 -0.660 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.718 -2.437 -1.392 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.527 -3.733 -3.195 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.006 -5.298 -1.212 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.371 -6.520 -2.435 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.001 -5.302 -4.751 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.238 -6.522 -4.433 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.531 -5.354 -0.118 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.374 -6.790 -0.274 1.00 0.49 C ATOM 1049 C VAL A 85 -17.636 -7.380 -0.901 1.00 0.55 C ATOM 1050 O VAL A 85 -18.712 -7.325 -0.304 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.103 -7.481 1.080 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.927 -8.979 0.892 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.879 -6.883 1.751 1.00 0.50 C ATOM 0 H VAL A 85 -16.807 -5.060 0.819 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.516 -6.965 -0.923 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.965 -7.314 1.726 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.737 -9.447 1.858 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.833 -9.400 0.457 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -15.084 -9.166 0.226 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.705 -7.384 2.704 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.010 -7.016 1.107 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.042 -5.819 1.925 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.525 -7.936 -2.119 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.670 -8.526 -2.822 1.00 0.69 C ATOM 1065 C PRO A 86 -19.202 -9.778 -2.130 1.00 0.68 C ATOM 1066 O PRO A 86 -20.410 -10.002 -2.070 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.105 -8.877 -4.202 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.630 -8.965 -4.020 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.283 -8.019 -2.908 1.00 0.64 C ATOM 0 HA PRO A 86 -19.517 -7.841 -2.855 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.512 -9.821 -4.564 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.365 -8.115 -4.937 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.329 -9.983 -3.772 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.109 -8.693 -4.938 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.452 -8.393 -2.309 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.986 -7.043 -3.291 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.295 -10.581 -1.595 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.673 -11.810 -0.913 1.00 0.70 C ATOM 1079 C GLN A 87 -18.958 -11.535 0.558 1.00 0.70 C ATOM 1080 O GLN A 87 -18.219 -11.962 1.445 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.578 -12.864 -1.067 1.00 0.78 C ATOM 1082 CG GLN A 87 -17.283 -13.217 -2.515 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.530 -13.588 -3.292 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -19.182 -12.733 -3.892 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.873 -14.864 -3.285 1.00 1.21 N ATOM 0 H GLN A 87 -17.291 -10.404 -1.620 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.584 -12.196 -1.370 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.665 -12.501 -0.596 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.875 -13.767 -0.533 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.797 -12.370 -2.999 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.580 -14.049 -2.546 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -18.306 -15.542 -2.776 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.705 -15.171 -3.789 1.00 1.21 H new ATOM 1094 N CYS A 88 -20.030 -10.803 0.800 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.431 -10.448 2.145 1.00 0.71 C ATOM 1096 C CYS A 88 -21.947 -10.539 2.278 1.00 0.71 C ATOM 1097 O CYS A 88 -22.670 -10.028 1.424 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.950 -9.034 2.473 1.00 0.73 C ATOM 1099 SG CYS A 88 -20.469 -8.432 4.098 1.00 1.44 S ATOM 0 H CYS A 88 -20.644 -10.440 0.071 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.978 -11.145 2.850 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.862 -9.011 2.420 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.320 -8.350 1.709 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.395 -7.134 4.124 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.444 -11.207 3.335 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.886 -11.360 3.576 1.00 0.79 C ATOM 1107 C PRO A 89 -24.613 -10.020 3.648 1.00 0.74 C ATOM 1108 O PRO A 89 -25.637 -9.823 2.990 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.952 -12.071 4.928 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.641 -12.757 5.068 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.641 -11.882 4.369 1.00 0.81 C ATOM 0 HA PRO A 89 -24.372 -11.905 2.767 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.114 -11.361 5.739 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.776 -12.784 4.959 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.379 -12.888 6.118 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.670 -13.751 4.621 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.184 -11.167 5.054 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.832 -12.467 3.932 1.00 0.81 H new ATOM 1119 N SER A 90 -24.081 -9.107 4.448 1.00 0.71 N ATOM 1120 CA SER A 90 -24.675 -7.786 4.606 1.00 0.71 C ATOM 1121 C SER A 90 -24.317 -6.890 3.424 1.00 0.65 C ATOM 1122 O SER A 90 -25.106 -6.047 2.999 1.00 0.72 O ATOM 1123 CB SER A 90 -24.191 -7.157 5.913 1.00 0.75 C ATOM 1124 OG SER A 90 -22.825 -7.467 6.145 1.00 0.85 O ATOM 0 H SER A 90 -23.236 -9.257 5.000 1.00 0.71 H new ATOM 0 HA SER A 90 -25.760 -7.890 4.638 1.00 0.71 H new ATOM 0 HB2 SER A 90 -24.321 -6.076 5.872 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.797 -7.520 6.743 1.00 0.75 H new ATOM 0 HG SER A 90 -22.363 -7.570 5.287 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.109 -7.078 2.901 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.656 -6.287 1.776 1.00 0.60 C ATOM 1132 C GLY A 91 -22.273 -4.881 2.185 1.00 0.57 C ATOM 1133 O GLY A 91 -22.066 -4.016 1.337 1.00 0.64 O ATOM 0 H GLY A 91 -22.436 -7.766 3.239 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.799 -6.775 1.312 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.444 -6.243 1.024 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.171 -4.654 3.489 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.821 -3.339 4.007 1.00 0.51 C ATOM 1139 C ARG A 92 -20.400 -3.341 4.546 1.00 0.48 C ATOM 1140 O ARG A 92 -19.981 -2.413 5.234 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.795 -2.917 5.106 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.246 -2.906 4.661 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.096 -2.029 5.564 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.965 -0.611 5.234 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.391 0.376 6.019 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.972 0.104 7.184 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.255 1.637 5.631 1.00 0.60 N ATOM 0 H ARG A 92 -22.326 -5.363 4.206 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.886 -2.623 3.188 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.689 -3.594 5.954 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.524 -1.921 5.457 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.311 -2.545 3.635 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.637 -3.923 4.666 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.141 -2.326 5.478 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.804 -2.188 6.602 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.521 -0.363 4.350 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.093 -0.865 7.480 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.297 0.864 7.782 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.824 1.850 4.731 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.581 2.394 6.232 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.667 -4.399 4.235 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.289 -4.523 4.676 1.00 0.45 C ATOM 1163 C VAL A 93 -17.350 -4.011 3.593 1.00 0.41 C ATOM 1164 O VAL A 93 -17.365 -4.496 2.458 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.928 -5.984 5.035 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.428 -6.147 5.261 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.700 -6.439 6.266 1.00 0.56 C ATOM 0 H VAL A 93 -20.005 -5.184 3.678 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.175 -3.921 5.578 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.211 -6.612 4.190 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.208 -7.185 5.511 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.891 -5.871 4.353 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.111 -5.501 6.080 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.433 -7.469 6.503 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.451 -5.796 7.110 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.770 -6.378 6.067 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.555 -3.020 3.945 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.610 -2.423 3.024 1.00 0.37 C ATOM 1179 C TYR A 94 -14.190 -2.729 3.481 1.00 0.35 C ATOM 1180 O TYR A 94 -13.957 -3.001 4.660 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.848 -0.912 2.928 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.135 -0.544 2.209 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.377 -0.797 2.780 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.104 0.047 0.955 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.547 -0.475 2.121 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.273 0.375 0.289 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.491 0.112 0.876 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.656 0.430 0.218 1.00 0.53 O ATOM 0 H TYR A 94 -16.546 -2.606 4.877 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.752 -2.847 2.030 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.870 -0.491 3.933 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.007 -0.452 2.409 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.428 -1.254 3.757 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.152 0.255 0.490 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.502 -0.683 2.580 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.230 0.835 -0.687 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.653 0.017 -0.671 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.245 -2.696 2.557 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.862 -3.002 2.881 1.00 0.33 C ATOM 1200 C VAL A 95 -10.894 -2.002 2.247 1.00 0.31 C ATOM 1201 O VAL A 95 -11.087 -1.550 1.115 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.496 -4.438 2.437 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.720 -4.625 0.940 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.060 -4.783 2.819 1.00 0.38 C ATOM 0 H VAL A 95 -13.409 -2.461 1.578 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.766 -2.927 3.964 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.158 -5.125 2.964 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.454 -5.644 0.657 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.769 -4.444 0.704 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.097 -3.921 0.388 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.831 -5.798 2.494 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.377 -4.085 2.335 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.944 -4.713 3.901 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.875 -1.643 3.014 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.840 -0.732 2.564 1.00 0.30 C ATOM 1216 C LEU A 96 -7.607 -1.545 2.193 1.00 0.30 C ATOM 1217 O LEU A 96 -6.998 -2.193 3.049 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.514 0.283 3.663 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.377 1.258 3.353 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -7.640 2.005 2.053 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.201 2.236 4.506 1.00 0.44 C ATOM 0 H LEU A 96 -9.745 -1.978 3.969 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.184 -0.177 1.691 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.414 0.860 3.877 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.262 -0.263 4.572 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.456 0.688 3.231 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -6.817 2.692 1.855 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -7.722 1.291 1.233 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -8.570 2.568 2.138 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.389 2.926 4.277 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.124 2.797 4.652 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.963 1.686 5.417 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.257 -1.531 0.920 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.122 -2.291 0.429 1.00 0.33 C ATOM 1235 C LYS A 97 -4.922 -1.403 0.139 1.00 0.26 C ATOM 1236 O LYS A 97 -5.002 -0.469 -0.660 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.510 -3.037 -0.846 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.493 -4.084 -1.278 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.887 -4.730 -2.599 1.00 0.74 C ATOM 1240 CE LYS A 97 -5.011 -5.935 -2.914 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.593 -5.550 -3.154 1.00 0.89 N ATOM 0 H LYS A 97 -7.747 -0.997 0.202 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.841 -2.996 1.211 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.474 -3.522 -0.693 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.640 -2.316 -1.653 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.511 -3.621 -1.376 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.408 -4.850 -0.508 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.931 -5.039 -2.557 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.803 -3.998 -3.402 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -5.059 -6.643 -2.087 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -5.401 -6.446 -3.794 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -3.033 -6.401 -3.365 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.543 -4.894 -3.960 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -3.211 -5.086 -2.305 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.819 -1.696 0.800 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.585 -0.965 0.585 1.00 0.30 C ATOM 1257 C PHE A 98 -1.724 -1.735 -0.406 1.00 0.33 C ATOM 1258 O PHE A 98 -1.257 -2.835 -0.102 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.817 -0.775 1.897 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.317 0.362 2.744 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.426 0.204 3.561 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.670 1.588 2.728 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.879 1.247 4.344 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.122 2.636 3.511 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.229 2.463 4.318 1.00 0.77 C ATOM 0 H PHE A 98 -3.752 -2.440 1.495 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.826 0.022 0.191 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.874 -1.697 2.476 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.765 -0.607 1.668 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.941 -0.745 3.585 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.804 1.727 2.098 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.743 1.110 4.977 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.610 3.587 3.491 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.586 3.279 4.928 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.536 -1.182 -1.597 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.728 -1.834 -2.620 1.00 0.48 C ATOM 1277 C LYS A 99 0.760 -1.629 -2.336 1.00 0.54 C ATOM 1278 O LYS A 99 1.526 -1.200 -3.203 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.101 -1.303 -4.009 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.525 -1.655 -4.425 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.968 -0.868 -5.649 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.439 -1.104 -5.953 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.934 -0.241 -7.058 1.00 1.11 N ATOM 0 H LYS A 99 -1.931 -0.285 -1.879 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.931 -2.905 -2.599 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.984 -0.219 -4.020 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.405 -1.706 -4.744 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.588 -2.722 -4.637 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.205 -1.453 -3.598 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.794 0.195 -5.483 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.365 -1.159 -6.509 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.589 -2.151 -6.218 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -5.028 -0.914 -5.056 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.971 -0.299 -7.106 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.650 0.744 -6.883 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.528 -0.564 -7.959 1.00 1.11 H new ATOM 1297 N ALA A 100 1.152 -1.950 -1.111 1.00 0.55 N ATOM 1298 CA ALA A 100 2.529 -1.820 -0.668 1.00 0.63 C ATOM 1299 C ALA A 100 2.779 -2.720 0.535 1.00 0.62 C ATOM 1300 O ALA A 100 2.244 -2.481 1.621 1.00 1.36 O ATOM 1301 CB ALA A 100 2.843 -0.372 -0.319 1.00 0.89 C ATOM 0 H ALA A 100 0.520 -2.309 -0.395 1.00 0.55 H new ATOM 0 HA ALA A 100 3.187 -2.128 -1.481 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.879 -0.294 0.011 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.694 0.255 -1.198 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.181 -0.039 0.481 1.00 0.89 H new ATOM 1307 N GLY A 101 3.571 -3.761 0.336 1.00 0.78 N ATOM 1308 CA GLY A 101 3.874 -4.678 1.419 1.00 0.83 C ATOM 1309 C GLY A 101 2.696 -5.561 1.783 1.00 0.73 C ATOM 1310 O GLY A 101 2.358 -6.489 1.043 1.00 1.06 O ATOM 0 H GLY A 101 4.011 -3.990 -0.556 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.719 -5.305 1.133 1.00 0.83 H new ATOM 0 HA3 GLY A 101 4.182 -4.109 2.296 1.00 0.83 H new ATOM 1314 N SER A 102 2.067 -5.277 2.920 1.00 0.51 N ATOM 1315 CA SER A 102 0.923 -6.056 3.383 1.00 0.48 C ATOM 1316 C SER A 102 0.146 -5.303 4.465 1.00 0.52 C ATOM 1317 O SER A 102 0.555 -5.265 5.625 1.00 1.13 O ATOM 1318 CB SER A 102 1.394 -7.410 3.920 1.00 0.60 C ATOM 1319 OG SER A 102 2.744 -7.339 4.346 1.00 1.00 O ATOM 0 H SER A 102 2.331 -4.511 3.539 1.00 0.51 H new ATOM 0 HA SER A 102 0.256 -6.218 2.536 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.761 -7.717 4.752 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.292 -8.170 3.145 1.00 0.60 H new ATOM 0 HG SER A 102 3.026 -8.213 4.687 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.961 -4.690 4.075 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.794 -3.950 5.012 1.00 0.42 C ATOM 1327 C LYS A 103 -3.254 -4.012 4.576 1.00 0.39 C ATOM 1328 O LYS A 103 -3.600 -3.576 3.475 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.330 -2.493 5.117 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.347 -1.940 6.537 1.00 0.60 C ATOM 1331 CD LYS A 103 -0.959 -0.468 6.565 1.00 0.79 C ATOM 1332 CE LYS A 103 -0.756 0.039 7.987 1.00 0.93 C ATOM 1333 NZ LYS A 103 0.466 -0.531 8.615 1.00 1.17 N ATOM 0 H LYS A 103 -1.304 -4.690 3.115 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.700 -4.409 5.996 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.318 -2.415 4.719 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.969 -1.872 4.488 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.342 -2.064 6.965 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -0.658 -2.511 7.160 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.042 -0.323 5.994 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.735 0.121 6.077 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.684 1.127 7.977 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -1.627 -0.217 8.591 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 0.679 -0.014 9.492 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 0.307 -1.535 8.835 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 1.267 -0.443 7.958 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.098 -4.573 5.432 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.518 -4.702 5.142 1.00 0.38 C ATOM 1349 C ARG A 104 -6.359 -4.239 6.324 1.00 0.37 C ATOM 1350 O ARG A 104 -6.236 -4.763 7.433 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.873 -6.156 4.817 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.182 -6.710 3.584 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.526 -8.174 3.379 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.736 -8.774 2.307 1.00 1.11 N ATOM 1355 CZ ARG A 104 -3.783 -9.686 2.503 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -3.487 -10.107 3.727 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -3.125 -10.189 1.469 1.00 1.70 N ATOM 0 H ARG A 104 -3.820 -4.948 6.339 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.735 -4.073 4.279 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.617 -6.780 5.673 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.952 -6.232 4.679 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.481 -6.136 2.707 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.103 -6.597 3.686 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.354 -8.721 4.306 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.586 -8.269 3.145 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.925 -8.477 1.350 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -3.991 -9.732 4.531 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -2.756 -10.805 3.863 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -3.347 -9.879 0.523 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -2.396 -10.887 1.619 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.212 -3.256 6.082 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.089 -2.731 7.118 1.00 0.34 C ATOM 1373 C LEU A 105 -9.540 -2.890 6.685 1.00 0.33 C ATOM 1374 O LEU A 105 -9.899 -2.533 5.566 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.772 -1.259 7.407 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.417 -1.001 8.072 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.070 0.479 8.018 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.427 -1.489 9.513 1.00 0.82 C ATOM 0 H LEU A 105 -7.316 -2.804 5.174 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.926 -3.294 8.037 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.809 -0.705 6.469 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.556 -0.854 8.047 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.656 -1.556 7.524 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.104 0.644 8.495 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.021 0.804 6.979 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.836 1.052 8.542 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.456 -1.297 9.969 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.200 -0.961 10.071 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.632 -2.559 9.533 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.369 -3.437 7.564 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.774 -3.653 7.249 1.00 0.34 C ATOM 1392 C PHE A 106 -12.665 -2.677 8.006 1.00 0.35 C ATOM 1393 O PHE A 106 -12.407 -2.356 9.171 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.182 -5.091 7.581 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.539 -6.128 6.702 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.317 -6.688 7.045 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.159 -6.545 5.535 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.724 -7.642 6.238 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.571 -7.501 4.725 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.353 -8.050 5.076 1.00 0.52 C ATOM 0 H PHE A 106 -10.093 -3.739 8.499 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.904 -3.481 6.181 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.925 -5.300 8.619 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.265 -5.179 7.497 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.823 -6.375 7.953 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.111 -6.120 5.254 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.771 -8.068 6.515 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.065 -7.818 3.818 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.893 -8.796 4.445 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.712 -2.214 7.332 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.668 -1.277 7.911 1.00 0.37 C ATOM 1412 C PHE A 107 -16.089 -1.674 7.520 1.00 0.39 C ATOM 1413 O PHE A 107 -16.293 -2.328 6.502 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.395 0.153 7.415 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.058 0.712 7.817 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.915 1.418 9.000 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.949 0.541 7.004 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.690 1.940 9.368 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.722 1.061 7.365 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.593 1.761 8.548 1.00 0.46 C ATOM 0 H PHE A 107 -13.922 -2.477 6.369 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.559 -1.307 8.995 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.467 0.166 6.327 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.177 0.810 7.794 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.771 1.562 9.642 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.046 -0.005 6.077 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.590 2.486 10.294 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.865 0.920 6.723 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.634 2.169 8.832 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.066 -1.294 8.327 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.456 -1.598 8.023 1.00 0.43 C ATOM 1432 C TRP A 108 -19.324 -0.363 8.249 1.00 0.45 C ATOM 1433 O TRP A 108 -19.196 0.315 9.268 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.963 -2.800 8.837 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.857 -2.653 10.326 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.736 -2.805 11.093 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.926 -2.359 11.230 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.043 -2.603 12.418 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.380 -2.329 12.526 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.290 -2.107 11.069 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.151 -2.066 13.652 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.055 -1.847 12.190 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.481 -1.825 13.466 1.00 0.74 C ATOM 0 H TRP A 108 -16.924 -0.776 9.194 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.524 -1.878 6.972 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.007 -2.979 8.579 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.404 -3.685 8.535 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.754 -3.048 10.714 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.382 -2.650 13.194 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.739 -2.115 10.087 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.713 -2.053 14.639 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.113 -1.658 12.080 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.104 -1.613 14.322 1.00 0.74 H new ATOM 1454 N MET A 109 -20.186 -0.075 7.281 1.00 0.46 N ATOM 1455 CA MET A 109 -21.064 1.095 7.336 1.00 0.48 C ATOM 1456 C MET A 109 -22.022 1.036 8.522 1.00 0.50 C ATOM 1457 O MET A 109 -22.712 0.036 8.733 1.00 0.51 O ATOM 1458 CB MET A 109 -21.863 1.220 6.038 1.00 0.50 C ATOM 1459 CG MET A 109 -21.009 1.526 4.819 1.00 0.50 C ATOM 1460 SD MET A 109 -20.282 3.177 4.872 1.00 0.58 S ATOM 1461 CE MET A 109 -19.215 3.109 3.436 1.00 0.60 C ATOM 0 H MET A 109 -20.298 -0.640 6.439 1.00 0.46 H new ATOM 0 HA MET A 109 -20.427 1.970 7.462 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.406 0.291 5.866 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.608 2.007 6.155 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.213 0.785 4.744 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.619 1.431 3.921 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.690 4.058 3.327 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.489 2.305 3.560 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.815 2.922 2.545 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.058 2.116 9.293 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.937 2.205 10.451 1.00 0.53 C ATOM 1473 C GLN A 110 -24.111 3.129 10.153 1.00 0.56 C ATOM 1474 O GLN A 110 -24.974 3.350 11.004 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.170 2.695 11.681 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.185 1.670 12.224 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.542 2.097 13.533 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.364 3.284 13.798 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.184 1.128 14.361 1.00 0.53 N ATOM 0 H GLN A 110 -21.486 2.946 9.136 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.322 1.208 10.666 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.630 3.607 11.425 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.882 2.955 12.464 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.701 0.722 12.372 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.405 1.496 11.483 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.348 0.154 14.107 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.745 1.356 15.253 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.128 3.666 8.939 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.192 4.557 8.505 1.00 0.60 C ATOM 1490 C GLU A 111 -26.516 3.794 8.434 1.00 0.63 C ATOM 1491 O GLU A 111 -26.538 2.622 8.058 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.855 5.147 7.135 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.662 6.087 7.148 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.967 7.394 7.844 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -25.077 7.930 7.653 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.098 7.903 8.578 1.00 0.67 O ATOM 0 H GLU A 111 -23.410 3.497 8.234 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.289 5.369 9.225 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.656 4.333 6.438 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.725 5.684 6.757 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.824 5.600 7.647 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.350 6.288 6.123 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.636 4.445 8.787 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.961 3.809 8.782 1.00 0.71 C ATOM 1505 C PRO A 112 -29.455 3.450 7.382 1.00 0.71 C ATOM 1506 O PRO A 112 -30.274 2.547 7.219 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.868 4.874 9.408 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.162 6.165 9.194 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.697 5.847 9.239 1.00 0.71 C ATOM 0 HA PRO A 112 -28.946 2.860 9.318 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.851 4.880 8.937 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.025 4.683 10.470 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.436 6.606 8.236 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.428 6.888 9.965 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.123 6.505 8.586 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.292 5.963 10.244 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.956 4.148 6.370 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.380 3.894 5.000 1.00 0.75 C ATOM 1519 C LYS A 113 -28.216 3.454 4.119 1.00 0.69 C ATOM 1520 O LYS A 113 -27.102 3.966 4.246 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.027 5.146 4.410 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.426 5.419 4.935 1.00 0.99 C ATOM 1523 CD LYS A 113 -31.947 6.745 4.422 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.424 6.932 4.731 1.00 1.11 C ATOM 1525 NZ LYS A 113 -33.921 8.241 4.242 1.00 1.51 N ATOM 0 H LYS A 113 -28.262 4.889 6.471 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.107 3.082 5.027 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.394 6.007 4.626 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.069 5.045 3.326 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.097 4.617 4.628 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.415 5.425 6.025 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.376 7.558 4.872 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.791 6.804 3.345 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -33.998 6.128 4.269 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.584 6.860 5.807 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -34.931 8.336 4.469 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.390 9.008 4.702 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.791 8.299 3.212 1.00 1.51 H new ATOM 1539 N THR A 114 -28.499 2.518 3.218 1.00 0.69 N ATOM 1540 CA THR A 114 -27.504 1.995 2.290 1.00 0.66 C ATOM 1541 C THR A 114 -27.523 2.796 0.995 1.00 0.67 C ATOM 1542 O THR A 114 -26.809 2.488 0.040 1.00 0.69 O ATOM 1543 CB THR A 114 -27.800 0.522 1.956 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.206 0.362 1.721 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.367 -0.401 3.080 1.00 0.86 C ATOM 0 H THR A 114 -29.424 2.102 3.111 1.00 0.69 H new ATOM 0 HA THR A 114 -26.526 2.075 2.765 1.00 0.66 H new ATOM 0 HB THR A 114 -27.235 0.255 1.063 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.397 -0.575 1.506 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.591 -1.433 2.810 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.295 -0.294 3.246 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.903 -0.140 3.992 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.368 3.820 0.979 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.547 4.686 -0.182 1.00 0.72 C ATOM 1555 C ASP A 115 -27.225 5.261 -0.680 1.00 0.68 C ATOM 1556 O ASP A 115 -26.931 5.205 -1.873 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.517 5.823 0.159 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.952 5.348 0.295 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.195 4.363 1.033 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.849 5.961 -0.322 1.00 1.19 O ATOM 0 H ASP A 115 -28.952 4.075 1.775 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.961 4.076 -0.985 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.205 6.294 1.091 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.463 6.586 -0.618 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.420 5.789 0.231 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.147 6.390 -0.146 1.00 0.64 C ATOM 1567 C GLN A 116 -23.961 5.511 0.240 1.00 0.60 C ATOM 1568 O GLN A 116 -22.830 5.994 0.300 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.007 7.770 0.508 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.020 8.785 0.006 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.773 9.189 -1.432 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.234 8.532 -2.366 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.049 10.279 -1.622 1.00 0.92 N ATOM 0 H GLN A 116 -26.623 5.814 1.230 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.141 6.492 -1.231 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.115 7.664 1.587 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.002 8.150 0.324 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.023 8.367 0.095 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -25.986 9.671 0.640 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.685 10.795 -0.821 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.854 10.603 -2.569 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.211 4.228 0.483 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.144 3.296 0.870 1.00 0.58 C ATOM 1584 C ASP A 117 -22.028 3.291 -0.171 1.00 0.55 C ATOM 1585 O ASP A 117 -20.883 3.647 0.123 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.699 1.878 1.048 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.963 1.522 2.501 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -24.267 2.438 3.297 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.891 0.324 2.853 1.00 0.64 O ATOM 0 H ASP A 117 -25.138 3.806 0.421 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.734 3.633 1.822 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.626 1.783 0.482 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.993 1.162 0.627 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.381 2.922 -1.396 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.425 2.867 -2.496 1.00 0.56 C ATOM 1596 C GLU A 118 -20.833 4.241 -2.792 1.00 0.55 C ATOM 1597 O GLU A 118 -19.640 4.364 -3.079 1.00 0.55 O ATOM 1598 CB GLU A 118 -22.105 2.326 -3.751 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.457 0.851 -3.665 1.00 0.62 C ATOM 1600 CD GLU A 118 -21.231 -0.023 -3.515 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.459 -0.142 -4.493 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -21.034 -0.594 -2.424 1.00 0.70 O ATOM 0 H GLU A 118 -23.331 2.654 -1.654 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.614 2.202 -2.198 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.014 2.898 -3.936 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.449 2.485 -4.607 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -23.123 0.687 -2.818 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -23.003 0.557 -4.561 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.669 5.268 -2.708 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.240 6.635 -2.981 1.00 0.59 C ATOM 1611 C GLU A 119 -20.173 7.090 -1.992 1.00 0.56 C ATOM 1612 O GLU A 119 -19.243 7.806 -2.362 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.434 7.586 -2.934 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.290 8.772 -3.869 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.993 8.338 -5.288 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -22.838 7.638 -5.888 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -20.913 8.683 -5.814 1.00 1.25 O ATOM 0 H GLU A 119 -22.652 5.180 -2.452 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.806 6.654 -3.981 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.339 7.036 -3.192 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.561 7.949 -1.914 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.208 9.360 -3.854 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.490 9.420 -3.512 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.305 6.662 -0.740 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.344 7.027 0.290 1.00 0.54 C ATOM 1626 C HIS A 120 -17.965 6.496 -0.073 1.00 0.51 C ATOM 1627 O HIS A 120 -16.976 7.220 0.008 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.774 6.492 1.660 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.754 7.378 2.366 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.941 6.918 2.897 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.718 8.707 2.631 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.593 7.923 3.450 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.872 9.019 3.303 1.00 0.74 N ATOM 0 H HIS A 120 -21.066 6.064 -0.417 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.304 8.115 0.350 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.216 5.504 1.533 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.891 6.368 2.287 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.928 9.392 2.363 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.553 7.860 3.940 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.131 9.948 3.635 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.912 5.239 -0.503 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.654 4.610 -0.897 1.00 0.48 C ATOM 1644 C CYS A 121 -16.068 5.296 -2.129 1.00 0.48 C ATOM 1645 O CYS A 121 -14.850 5.459 -2.248 1.00 0.47 O ATOM 1646 CB CYS A 121 -16.875 3.123 -1.187 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.439 2.275 -1.890 1.00 0.48 S ATOM 0 H CYS A 121 -18.728 4.633 -0.588 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.948 4.714 -0.073 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.159 2.623 -0.261 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.714 3.021 -1.875 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.840 1.303 -2.655 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.948 5.697 -3.039 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.545 6.367 -4.268 1.00 0.54 C ATOM 1655 C ARG A 122 -15.852 7.690 -3.967 1.00 0.53 C ATOM 1656 O ARG A 122 -14.761 7.957 -4.470 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.768 6.596 -5.156 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.451 7.238 -6.498 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.323 6.662 -7.602 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.724 6.532 -7.187 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.408 5.385 -7.190 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -19.826 4.255 -7.581 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -21.673 5.367 -6.799 1.00 1.52 N ATOM 0 H ARG A 122 -17.955 5.567 -2.946 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.835 5.729 -4.794 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.261 5.640 -5.331 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.478 7.228 -4.622 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.605 8.315 -6.434 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.400 7.080 -6.741 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.264 7.303 -8.482 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -17.939 5.684 -7.894 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.208 7.374 -6.875 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -18.851 4.261 -7.881 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -20.354 3.383 -7.581 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.125 6.229 -6.495 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.195 4.491 -6.801 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.480 8.507 -3.127 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.916 9.800 -2.762 1.00 0.53 C ATOM 1679 C LYS A 123 -14.595 9.617 -2.030 1.00 0.51 C ATOM 1680 O LYS A 123 -13.666 10.409 -2.197 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.891 10.595 -1.896 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.177 10.960 -2.615 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.807 12.205 -2.022 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.133 12.527 -2.695 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.584 13.910 -2.402 1.00 1.12 N ATOM 0 H LYS A 123 -17.376 8.297 -2.688 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.735 10.360 -3.679 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.133 10.013 -1.007 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.402 11.508 -1.556 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.971 11.123 -3.673 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.880 10.129 -2.552 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -18.965 12.062 -0.953 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.126 13.048 -2.134 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -20.033 12.399 -3.773 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.891 11.820 -2.359 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.491 14.088 -2.879 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.705 14.026 -1.376 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.873 14.587 -2.745 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.516 8.563 -1.221 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.301 8.261 -0.481 1.00 0.46 C ATOM 1701 C VAL A 124 -12.143 8.040 -1.452 1.00 0.45 C ATOM 1702 O VAL A 124 -11.112 8.703 -1.359 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.479 7.016 0.421 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.141 6.507 0.936 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.400 7.332 1.586 1.00 0.50 C ATOM 0 H VAL A 124 -15.280 7.906 -1.064 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.080 9.112 0.164 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.929 6.230 -0.185 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.303 5.632 1.566 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.506 6.235 0.093 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.654 7.289 1.519 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.514 6.446 2.210 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.973 8.141 2.179 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.375 7.637 1.207 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.345 7.132 -2.407 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.325 6.822 -3.410 1.00 0.48 C ATOM 1717 C ASN A 125 -10.911 8.067 -4.178 1.00 0.49 C ATOM 1718 O ASN A 125 -9.730 8.266 -4.470 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.837 5.771 -4.398 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.581 4.355 -3.931 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.610 4.082 -3.222 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.451 3.445 -4.329 1.00 0.77 N ATOM 0 H ASN A 125 -13.208 6.597 -2.507 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.458 6.429 -2.879 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.907 5.911 -4.549 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.356 5.923 -5.365 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.334 2.471 -4.050 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.240 3.716 -4.915 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.888 8.909 -4.485 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.641 10.136 -5.226 1.00 0.56 C ATOM 1731 C GLU A 126 -10.646 11.045 -4.514 1.00 0.55 C ATOM 1732 O GLU A 126 -9.743 11.592 -5.138 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.942 10.895 -5.450 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.806 10.310 -6.549 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.826 11.299 -7.063 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -14.416 12.376 -7.554 1.00 1.27 O ATOM 1737 OE2 GLU A 126 -16.041 11.011 -6.987 1.00 1.30 O ATOM 0 H GLU A 126 -12.865 8.762 -4.230 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.212 9.846 -6.185 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.511 10.907 -4.520 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.710 11.932 -5.695 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.171 9.985 -7.373 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.319 9.425 -6.173 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.803 11.200 -3.211 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.918 12.068 -2.443 1.00 0.55 C ATOM 1746 C TYR A 127 -8.616 11.369 -2.063 1.00 0.52 C ATOM 1747 O TYR A 127 -7.670 12.012 -1.611 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.632 12.562 -1.184 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.632 13.671 -1.445 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.223 14.995 -1.515 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -12.981 13.392 -1.613 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.130 16.011 -1.748 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -13.896 14.401 -1.847 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.464 15.709 -1.913 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.371 16.717 -2.144 1.00 0.84 O ATOM 0 H TYR A 127 -11.530 10.740 -2.662 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.662 12.917 -3.077 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.147 11.723 -0.717 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.888 12.916 -0.471 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.178 15.235 -1.385 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.322 12.369 -1.560 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.795 17.036 -1.800 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -14.942 14.167 -1.977 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.268 16.334 -2.239 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.558 10.061 -2.257 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.365 9.299 -1.905 1.00 0.49 C ATOM 1767 C LEU A 128 -6.404 9.148 -3.079 1.00 0.53 C ATOM 1768 O LEU A 128 -5.197 9.036 -2.884 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.738 7.907 -1.398 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.607 7.866 -0.140 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.728 6.441 0.365 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.045 8.775 0.944 1.00 0.44 C ATOM 0 H LEU A 128 -9.316 9.506 -2.653 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.865 9.864 -1.118 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.261 7.379 -2.195 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.819 7.355 -1.200 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.601 8.232 -0.398 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.349 6.424 1.261 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.185 5.820 -0.405 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.737 6.054 0.603 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.683 8.726 1.827 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.038 8.450 1.205 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.011 9.801 0.577 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.930 9.113 -4.298 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.074 8.937 -5.472 1.00 0.59 C ATOM 1786 C ASN A 129 -6.121 10.133 -6.417 1.00 0.65 C ATOM 1787 O ASN A 129 -5.416 10.154 -7.429 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.467 7.661 -6.223 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.753 6.419 -5.705 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.623 5.427 -6.420 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -5.285 6.456 -4.463 1.00 0.89 N ATOM 0 H ASN A 129 -7.926 9.202 -4.501 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.049 8.853 -5.110 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.544 7.515 -6.140 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.243 7.786 -7.282 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -4.801 5.646 -4.076 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -5.409 7.295 -3.896 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.942 11.123 -6.099 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.050 12.315 -6.933 1.00 0.74 C ATOM 1800 C ASN A 130 -7.046 13.562 -6.067 1.00 0.80 C ATOM 1801 O ASN A 130 -7.828 14.493 -6.348 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.316 12.280 -7.793 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.146 11.453 -9.047 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.569 11.912 -10.035 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.662 10.235 -9.024 1.00 1.09 N ATOM 0 H ASN A 130 -7.541 11.127 -5.274 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.188 12.336 -7.600 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.139 11.875 -7.204 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.592 13.298 -8.068 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.591 9.635 -9.846 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.131 9.896 -8.184 1.00 1.09 H new ATOM 1813 N ALA B 26 37.478 -7.522 8.300 1.00 1.24 N ATOM 1814 CA ALA B 26 36.347 -6.971 9.080 1.00 1.15 C ATOM 1815 C ALA B 26 35.049 -7.088 8.292 1.00 1.06 C ATOM 1816 O ALA B 26 34.903 -6.482 7.230 1.00 1.08 O ATOM 1817 CB ALA B 26 36.609 -5.519 9.447 1.00 1.27 C ATOM 0 HA ALA B 26 36.251 -7.550 9.999 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.767 -5.131 10.020 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.517 -5.453 10.047 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.731 -4.930 8.538 1.00 1.27 H new ATOM 1825 N PRO B 27 34.090 -7.877 8.793 1.00 1.03 N ATOM 1826 CA PRO B 27 32.806 -8.068 8.125 1.00 0.98 C ATOM 1827 C PRO B 27 31.850 -6.904 8.374 1.00 0.96 C ATOM 1828 O PRO B 27 31.795 -6.352 9.474 1.00 1.05 O ATOM 1829 CB PRO B 27 32.276 -9.347 8.765 1.00 1.03 C ATOM 1830 CG PRO B 27 32.857 -9.361 10.136 1.00 1.15 C ATOM 1831 CD PRO B 27 34.179 -8.644 10.054 1.00 1.12 C ATOM 0 HA PRO B 27 32.904 -8.125 7.041 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.187 -9.350 8.798 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.580 -10.227 8.198 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.192 -8.866 10.843 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.993 -10.384 10.488 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.331 -7.988 10.911 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.013 -9.345 10.037 1.00 1.12 H new ATOM 1839 N ALA B 28 31.109 -6.523 7.348 1.00 0.95 N ATOM 1840 CA ALA B 28 30.156 -5.429 7.462 1.00 0.96 C ATOM 1841 C ALA B 28 28.730 -5.951 7.366 1.00 0.90 C ATOM 1842 O ALA B 28 27.778 -5.171 7.292 1.00 0.88 O ATOM 1843 CB ALA B 28 30.414 -4.390 6.386 1.00 1.04 C ATOM 0 H ALA B 28 31.148 -6.955 6.425 1.00 0.95 H new ATOM 0 HA ALA B 28 30.285 -4.959 8.437 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.693 -3.578 6.484 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.424 -3.995 6.497 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.310 -4.850 5.403 1.00 1.04 H new ATOM 1849 N GLU B 29 28.611 -7.281 7.379 1.00 0.93 N ATOM 1850 CA GLU B 29 27.325 -7.973 7.292 1.00 0.90 C ATOM 1851 C GLU B 29 26.683 -7.763 5.921 1.00 0.85 C ATOM 1852 O GLU B 29 26.064 -6.731 5.661 1.00 0.82 O ATOM 1853 CB GLU B 29 26.374 -7.520 8.408 1.00 0.91 C ATOM 1854 CG GLU B 29 26.819 -7.952 9.794 1.00 1.14 C ATOM 1855 CD GLU B 29 25.871 -7.489 10.879 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.709 -7.955 10.899 1.00 1.29 O ATOM 1857 OE2 GLU B 29 26.277 -6.660 11.720 1.00 1.30 O ATOM 0 H GLU B 29 29.410 -7.911 7.451 1.00 0.93 H new ATOM 0 HA GLU B 29 27.514 -9.039 7.422 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.290 -6.434 8.384 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.380 -7.921 8.213 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.897 -9.039 9.824 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.815 -7.555 9.992 1.00 1.14 H new ATOM 1864 N PRO B 30 26.811 -8.760 5.031 1.00 0.88 N ATOM 1865 CA PRO B 30 26.270 -8.689 3.671 1.00 0.88 C ATOM 1866 C PRO B 30 24.771 -8.988 3.597 1.00 0.82 C ATOM 1867 O PRO B 30 24.307 -9.657 2.672 1.00 0.85 O ATOM 1868 CB PRO B 30 27.065 -9.763 2.936 1.00 1.00 C ATOM 1869 CG PRO B 30 27.394 -10.777 3.973 1.00 1.07 C ATOM 1870 CD PRO B 30 27.491 -10.044 5.287 1.00 0.98 C ATOM 0 HA PRO B 30 26.364 -7.688 3.251 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.481 -10.201 2.127 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.969 -9.348 2.489 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.625 -11.548 4.017 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.334 -11.277 3.740 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.006 -10.599 6.090 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.529 -9.894 5.584 1.00 0.98 H new ATOM 1878 N LYS B 31 24.020 -8.484 4.568 1.00 0.78 N ATOM 1879 CA LYS B 31 22.578 -8.679 4.601 1.00 0.74 C ATOM 1880 C LYS B 31 21.905 -7.651 3.702 1.00 0.69 C ATOM 1881 O LYS B 31 21.254 -6.719 4.173 1.00 0.73 O ATOM 1882 CB LYS B 31 22.043 -8.568 6.033 1.00 0.76 C ATOM 1883 CG LYS B 31 22.160 -9.855 6.836 1.00 0.92 C ATOM 1884 CD LYS B 31 21.215 -10.922 6.310 1.00 1.11 C ATOM 1885 CE LYS B 31 21.236 -12.170 7.177 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.339 -13.232 6.647 1.00 1.45 N ATOM 0 H LYS B 31 24.388 -7.935 5.345 1.00 0.78 H new ATOM 0 HA LYS B 31 22.351 -9.681 4.236 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.584 -7.777 6.552 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.996 -8.268 5.997 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.186 -10.221 6.793 1.00 0.92 H new ATOM 0 HG3 LYS B 31 21.938 -9.654 7.884 1.00 0.92 H new ATOM 0 HD2 LYS B 31 20.201 -10.523 6.271 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.494 -11.184 5.289 1.00 1.11 H new ATOM 0 HE2 LYS B 31 22.255 -12.553 7.237 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.932 -11.912 8.191 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.383 -14.065 7.268 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 19.362 -12.877 6.614 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 20.644 -13.498 5.689 1.00 1.45 H new ATOM 1900 N ILE B 32 22.094 -7.818 2.403 1.00 0.68 N ATOM 1901 CA ILE B 32 21.534 -6.913 1.417 1.00 0.66 C ATOM 1902 C ILE B 32 20.027 -7.108 1.276 1.00 0.62 C ATOM 1903 O ILE B 32 19.563 -8.177 0.875 1.00 0.67 O ATOM 1904 CB ILE B 32 22.210 -7.108 0.043 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.719 -6.865 0.153 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.596 -6.180 -0.990 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.475 -7.154 -1.127 1.00 1.20 C ATOM 0 H ILE B 32 22.639 -8.583 2.005 1.00 0.68 H new ATOM 0 HA ILE B 32 21.723 -5.898 1.767 1.00 0.66 H new ATOM 0 HB ILE B 32 22.047 -8.136 -0.280 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.891 -5.828 0.441 1.00 0.88 H new ATOM 0 HG13 ILE B 32 24.122 -7.488 0.951 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.085 -6.332 -1.952 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.532 -6.396 -1.086 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.729 -5.145 -0.674 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.537 -6.960 -0.974 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.333 -8.198 -1.405 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.100 -6.512 -1.924 1.00 1.20 H new ATOM 1919 N ILE B 33 19.276 -6.075 1.613 1.00 0.58 N ATOM 1920 CA ILE B 33 17.825 -6.117 1.516 1.00 0.56 C ATOM 1921 C ILE B 33 17.363 -5.536 0.187 1.00 0.54 C ATOM 1922 O ILE B 33 18.055 -4.709 -0.413 1.00 0.60 O ATOM 1923 CB ILE B 33 17.143 -5.346 2.668 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.563 -3.875 2.657 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.482 -5.983 4.006 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.735 -2.996 3.568 1.00 0.67 C ATOM 0 H ILE B 33 19.648 -5.191 1.959 1.00 0.58 H new ATOM 0 HA ILE B 33 17.534 -7.165 1.586 1.00 0.56 H new ATOM 0 HB ILE B 33 16.064 -5.396 2.522 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.610 -3.804 2.952 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.492 -3.494 1.638 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.994 -5.428 4.807 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.134 -7.016 4.016 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.561 -5.962 4.156 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.093 -1.968 3.506 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.690 -3.036 3.261 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.825 -3.350 4.595 1.00 0.67 H new ATOM 1938 N LYS B 34 16.206 -5.982 -0.273 1.00 0.53 N ATOM 1939 CA LYS B 34 15.647 -5.499 -1.523 1.00 0.53 C ATOM 1940 C LYS B 34 14.522 -4.509 -1.244 1.00 0.48 C ATOM 1941 O LYS B 34 13.586 -4.811 -0.502 1.00 0.57 O ATOM 1942 CB LYS B 34 15.137 -6.669 -2.367 1.00 0.58 C ATOM 1943 CG LYS B 34 16.238 -7.617 -2.827 1.00 0.76 C ATOM 1944 CD LYS B 34 15.696 -8.693 -3.756 1.00 0.87 C ATOM 1945 CE LYS B 34 16.812 -9.555 -4.330 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.275 -10.591 -3.367 1.00 1.31 N ATOM 0 H LYS B 34 15.634 -6.680 0.203 1.00 0.53 H new ATOM 0 HA LYS B 34 16.430 -4.988 -2.084 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.404 -7.231 -1.788 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.619 -6.276 -3.242 1.00 0.58 H new ATOM 0 HG2 LYS B 34 17.016 -7.051 -3.339 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.703 -8.085 -1.959 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.993 -9.323 -3.212 1.00 0.87 H new ATOM 0 HD3 LYS B 34 15.142 -8.226 -4.570 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.462 -10.039 -5.242 1.00 1.07 H new ATOM 0 HE3 LYS B 34 17.652 -8.920 -4.609 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.035 -11.153 -3.801 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.634 -10.130 -2.507 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.480 -11.215 -3.120 1.00 1.31 H new ATOM 1960 N VAL B 35 14.629 -3.325 -1.819 1.00 0.44 N ATOM 1961 CA VAL B 35 13.621 -2.294 -1.627 1.00 0.41 C ATOM 1962 C VAL B 35 13.057 -1.828 -2.968 1.00 0.42 C ATOM 1963 O VAL B 35 13.782 -1.292 -3.811 1.00 0.45 O ATOM 1964 CB VAL B 35 14.190 -1.094 -0.827 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.556 -0.678 -1.351 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.227 0.085 -0.857 1.00 0.40 C ATOM 0 H VAL B 35 15.404 -3.052 -2.424 1.00 0.44 H new ATOM 0 HA VAL B 35 12.808 -2.730 -1.046 1.00 0.41 H new ATOM 0 HB VAL B 35 14.309 -1.416 0.208 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.927 0.166 -0.769 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.250 -1.514 -1.262 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.471 -0.387 -2.398 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.649 0.914 -0.289 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.066 0.397 -1.889 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.276 -0.211 -0.415 1.00 0.40 H new ATOM 1976 N THR B 36 11.767 -2.052 -3.165 1.00 0.41 N ATOM 1977 CA THR B 36 11.100 -1.659 -4.393 1.00 0.43 C ATOM 1978 C THR B 36 10.543 -0.247 -4.269 1.00 0.39 C ATOM 1979 O THR B 36 9.629 0.003 -3.480 1.00 0.40 O ATOM 1980 CB THR B 36 9.957 -2.628 -4.725 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.103 -3.829 -3.956 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.948 -2.968 -6.206 1.00 0.57 C ATOM 0 H THR B 36 11.159 -2.507 -2.484 1.00 0.41 H new ATOM 0 HA THR B 36 11.836 -1.687 -5.197 1.00 0.43 H new ATOM 0 HB THR B 36 9.012 -2.145 -4.476 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.680 -4.458 -4.438 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.129 -3.656 -6.416 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.814 -2.056 -6.788 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.894 -3.436 -6.478 1.00 0.57 H new ATOM 1990 N VAL B 37 11.095 0.669 -5.048 1.00 0.41 N ATOM 1991 CA VAL B 37 10.665 2.057 -5.007 1.00 0.40 C ATOM 1992 C VAL B 37 9.634 2.350 -6.099 1.00 0.43 C ATOM 1993 O VAL B 37 9.939 2.283 -7.292 1.00 0.51 O ATOM 1994 CB VAL B 37 11.865 3.016 -5.162 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.441 4.459 -4.915 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.995 2.619 -4.219 1.00 0.46 C ATOM 0 H VAL B 37 11.841 0.477 -5.716 1.00 0.41 H new ATOM 0 HA VAL B 37 10.203 2.221 -4.033 1.00 0.40 H new ATOM 0 HB VAL B 37 12.230 2.940 -6.186 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.303 5.116 -5.030 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.672 4.740 -5.634 1.00 0.52 H new ATOM 0 HG13 VAL B 37 11.045 4.554 -3.904 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.831 3.307 -4.343 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.641 2.661 -3.189 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.322 1.605 -4.449 1.00 0.46 H new ATOM 2006 N LYS B 38 8.414 2.662 -5.678 1.00 0.41 N ATOM 2007 CA LYS B 38 7.337 2.981 -6.602 1.00 0.46 C ATOM 2008 C LYS B 38 7.370 4.464 -6.933 1.00 0.50 C ATOM 2009 O LYS B 38 7.018 5.306 -6.102 1.00 0.63 O ATOM 2010 CB LYS B 38 5.980 2.620 -5.996 1.00 0.51 C ATOM 2011 CG LYS B 38 5.816 1.140 -5.687 1.00 0.65 C ATOM 2012 CD LYS B 38 4.534 0.869 -4.908 1.00 0.80 C ATOM 2013 CE LYS B 38 3.291 1.142 -5.746 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.036 0.869 -4.995 1.00 1.38 N ATOM 0 H LYS B 38 8.147 2.700 -4.694 1.00 0.41 H new ATOM 0 HA LYS B 38 7.477 2.399 -7.513 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.840 3.190 -5.078 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.193 2.927 -6.685 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.804 0.572 -6.617 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.673 0.791 -5.111 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.525 -0.168 -4.573 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.514 1.493 -4.014 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.297 2.181 -6.074 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.317 0.524 -6.644 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.232 1.299 -5.495 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.890 -0.158 -4.924 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.108 1.275 -4.040 1.00 1.38 H new ATOM 2028 N THR B 39 7.802 4.776 -8.139 1.00 0.55 N ATOM 2029 CA THR B 39 7.894 6.154 -8.588 1.00 0.60 C ATOM 2030 C THR B 39 6.858 6.412 -9.674 1.00 0.65 C ATOM 2031 O THR B 39 6.391 5.467 -10.316 1.00 0.67 O ATOM 2032 CB THR B 39 9.307 6.470 -9.144 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.494 5.839 -10.417 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.388 5.990 -8.191 1.00 0.68 C ATOM 0 H THR B 39 8.097 4.088 -8.832 1.00 0.55 H new ATOM 0 HA THR B 39 7.706 6.801 -7.731 1.00 0.60 H new ATOM 0 HB THR B 39 9.385 7.552 -9.254 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.021 4.981 -10.429 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.369 6.224 -8.605 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.272 6.489 -7.229 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.300 4.912 -8.054 1.00 0.68 H new ATOM 2042 N PRO B 40 6.472 7.680 -9.898 1.00 0.71 N ATOM 2043 CA PRO B 40 5.502 8.033 -10.941 1.00 0.78 C ATOM 2044 C PRO B 40 6.140 7.986 -12.327 1.00 0.81 C ATOM 2045 O PRO B 40 6.050 8.941 -13.099 1.00 0.87 O ATOM 2046 CB PRO B 40 5.109 9.466 -10.581 1.00 0.83 C ATOM 2047 CG PRO B 40 6.280 10.023 -9.852 1.00 0.85 C ATOM 2048 CD PRO B 40 6.936 8.867 -9.149 1.00 0.73 C ATOM 0 HA PRO B 40 4.656 7.347 -10.980 1.00 0.78 H new ATOM 0 HB2 PRO B 40 4.888 10.050 -11.475 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.214 9.484 -9.959 1.00 0.83 H new ATOM 0 HG2 PRO B 40 6.975 10.502 -10.542 1.00 0.85 H new ATOM 0 HG3 PRO B 40 5.966 10.784 -9.137 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.022 8.952 -9.170 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.640 8.818 -8.101 1.00 0.73 H new ATOM 2056 N LYS B 41 6.785 6.864 -12.628 1.00 0.82 N ATOM 2057 CA LYS B 41 7.475 6.682 -13.898 1.00 0.87 C ATOM 2058 C LYS B 41 7.936 5.236 -14.063 1.00 0.84 C ATOM 2059 O LYS B 41 7.621 4.581 -15.057 1.00 0.92 O ATOM 2060 CB LYS B 41 8.682 7.631 -13.966 1.00 0.93 C ATOM 2061 CG LYS B 41 9.332 7.732 -15.338 1.00 1.13 C ATOM 2062 CD LYS B 41 10.049 9.066 -15.519 1.00 1.21 C ATOM 2063 CE LYS B 41 11.155 9.267 -14.491 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.677 10.660 -14.502 1.00 1.37 N ATOM 0 H LYS B 41 6.844 6.060 -12.002 1.00 0.82 H new ATOM 0 HA LYS B 41 6.784 6.913 -14.709 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.363 8.626 -13.655 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.431 7.297 -13.247 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.042 6.915 -15.466 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.572 7.618 -16.111 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.473 9.116 -16.522 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.327 9.879 -15.438 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.774 9.030 -13.497 1.00 1.44 H new ATOM 0 HE3 LYS B 41 11.970 8.572 -14.694 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.428 10.755 -13.788 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.064 10.878 -15.442 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 10.905 11.322 -14.283 1.00 1.37 H new ATOM 2078 N GLU B 42 8.667 4.735 -13.076 1.00 0.77 N ATOM 2079 CA GLU B 42 9.181 3.371 -13.125 1.00 0.75 C ATOM 2080 C GLU B 42 9.127 2.729 -11.739 1.00 0.70 C ATOM 2081 O GLU B 42 8.783 3.383 -10.752 1.00 0.73 O ATOM 2082 CB GLU B 42 10.626 3.377 -13.641 1.00 0.83 C ATOM 2083 CG GLU B 42 11.023 2.121 -14.401 1.00 1.03 C ATOM 2084 CD GLU B 42 10.420 2.062 -15.789 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.791 2.900 -16.638 1.00 1.41 O ATOM 2086 OE2 GLU B 42 9.585 1.170 -16.048 1.00 1.28 O ATOM 0 H GLU B 42 8.918 5.251 -12.233 1.00 0.77 H new ATOM 0 HA GLU B 42 8.559 2.788 -13.804 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.764 4.240 -14.292 1.00 0.83 H new ATOM 0 HB3 GLU B 42 11.301 3.505 -12.795 1.00 0.83 H new ATOM 0 HG2 GLU B 42 12.109 2.077 -14.479 1.00 1.03 H new ATOM 0 HG3 GLU B 42 10.708 1.244 -13.835 1.00 1.03 H new ATOM 2093 N LYS B 43 9.466 1.451 -11.666 1.00 0.68 N ATOM 2094 CA LYS B 43 9.477 0.728 -10.403 1.00 0.64 C ATOM 2095 C LYS B 43 10.764 -0.082 -10.299 1.00 0.63 C ATOM 2096 O LYS B 43 10.819 -1.242 -10.711 1.00 0.74 O ATOM 2097 CB LYS B 43 8.261 -0.198 -10.299 1.00 0.67 C ATOM 2098 CG LYS B 43 8.038 -0.750 -8.899 1.00 0.67 C ATOM 2099 CD LYS B 43 7.062 -1.916 -8.901 1.00 0.74 C ATOM 2100 CE LYS B 43 7.702 -3.182 -9.450 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.770 -4.337 -9.405 1.00 0.98 N ATOM 0 H LYS B 43 9.739 0.890 -12.473 1.00 0.68 H new ATOM 0 HA LYS B 43 9.429 1.444 -9.583 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.371 0.347 -10.612 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.386 -1.029 -10.993 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.991 -1.074 -8.480 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.658 0.041 -8.253 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.709 -2.097 -7.886 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.189 -1.659 -9.501 1.00 0.74 H new ATOM 0 HE2 LYS B 43 8.020 -3.012 -10.479 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.598 -3.415 -8.874 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 7.243 -5.180 -9.788 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.486 -4.516 -8.421 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.927 -4.125 -9.975 1.00 0.98 H new ATOM 2115 N GLU B 44 11.803 0.538 -9.765 1.00 0.59 N ATOM 2116 CA GLU B 44 13.094 -0.120 -9.635 1.00 0.60 C ATOM 2117 C GLU B 44 13.322 -0.611 -8.211 1.00 0.56 C ATOM 2118 O GLU B 44 12.800 -0.038 -7.251 1.00 0.60 O ATOM 2119 CB GLU B 44 14.217 0.835 -10.049 1.00 0.64 C ATOM 2120 CG GLU B 44 15.138 0.270 -11.120 1.00 0.81 C ATOM 2121 CD GLU B 44 14.418 -0.027 -12.420 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.906 -1.157 -12.579 1.00 1.24 O ATOM 2123 OE2 GLU B 44 14.370 0.860 -13.295 1.00 1.21 O ATOM 0 H GLU B 44 11.779 1.496 -9.414 1.00 0.59 H new ATOM 0 HA GLU B 44 13.099 -0.987 -10.296 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.776 1.763 -10.414 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.809 1.088 -9.170 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.943 0.979 -11.310 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.600 -0.645 -10.749 1.00 0.81 H new ATOM 2130 N GLU B 45 14.101 -1.673 -8.085 1.00 0.56 N ATOM 2131 CA GLU B 45 14.406 -2.252 -6.789 1.00 0.53 C ATOM 2132 C GLU B 45 15.882 -2.049 -6.462 1.00 0.55 C ATOM 2133 O GLU B 45 16.760 -2.463 -7.223 1.00 0.64 O ATOM 2134 CB GLU B 45 14.049 -3.741 -6.785 1.00 0.57 C ATOM 2135 CG GLU B 45 13.984 -4.359 -5.400 1.00 0.58 C ATOM 2136 CD GLU B 45 13.042 -5.541 -5.340 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.341 -6.578 -5.964 1.00 0.99 O ATOM 2138 OE2 GLU B 45 11.990 -5.437 -4.676 1.00 0.94 O ATOM 0 H GLU B 45 14.536 -2.154 -8.872 1.00 0.56 H new ATOM 0 HA GLU B 45 13.812 -1.753 -6.024 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.085 -3.874 -7.276 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.786 -4.282 -7.378 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.982 -4.678 -5.100 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.662 -3.604 -4.683 1.00 0.58 H new ATOM 2145 N PHE B 46 16.151 -1.384 -5.350 1.00 0.51 N ATOM 2146 CA PHE B 46 17.518 -1.128 -4.928 1.00 0.54 C ATOM 2147 C PHE B 46 17.988 -2.211 -3.967 1.00 0.54 C ATOM 2148 O PHE B 46 17.173 -2.928 -3.384 1.00 0.54 O ATOM 2149 CB PHE B 46 17.637 0.248 -4.268 1.00 0.53 C ATOM 2150 CG PHE B 46 17.592 1.395 -5.238 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.380 1.926 -5.648 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.763 1.950 -5.728 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.337 2.986 -6.533 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.727 3.011 -6.614 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.512 3.531 -7.014 1.00 0.87 C ATOM 0 H PHE B 46 15.439 -1.011 -4.722 1.00 0.51 H new ATOM 0 HA PHE B 46 18.153 -1.141 -5.814 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.829 0.364 -3.545 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.573 0.293 -3.711 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.459 1.507 -5.272 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.715 1.549 -5.414 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.386 3.388 -6.849 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.647 3.432 -6.992 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.480 4.363 -7.702 1.00 0.87 H new ATOM 2165 N ALA B 47 19.298 -2.322 -3.808 1.00 0.57 N ATOM 2166 CA ALA B 47 19.885 -3.321 -2.931 1.00 0.60 C ATOM 2167 C ALA B 47 20.869 -2.673 -1.958 1.00 0.60 C ATOM 2168 O ALA B 47 21.943 -2.215 -2.356 1.00 0.66 O ATOM 2169 CB ALA B 47 20.575 -4.394 -3.759 1.00 0.69 C ATOM 0 H ALA B 47 19.979 -1.727 -4.280 1.00 0.57 H new ATOM 0 HA ALA B 47 19.091 -3.786 -2.346 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.013 -5.140 -3.096 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.847 -4.873 -4.413 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.361 -3.939 -4.362 1.00 0.69 H new ATOM 2175 N VAL B 48 20.499 -2.626 -0.685 1.00 0.57 N ATOM 2176 CA VAL B 48 21.348 -2.023 0.338 1.00 0.59 C ATOM 2177 C VAL B 48 21.439 -2.923 1.569 1.00 0.58 C ATOM 2178 O VAL B 48 20.527 -3.695 1.837 1.00 0.57 O ATOM 2179 CB VAL B 48 20.823 -0.630 0.769 1.00 0.59 C ATOM 2180 CG1 VAL B 48 21.048 0.400 -0.330 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.348 -0.700 1.148 1.00 0.56 C ATOM 0 H VAL B 48 19.616 -2.998 -0.334 1.00 0.57 H new ATOM 0 HA VAL B 48 22.338 -1.904 -0.103 1.00 0.59 H new ATOM 0 HB VAL B 48 21.386 -0.316 1.648 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.671 1.369 -0.003 1.00 0.66 H new ATOM 0 HG12 VAL B 48 22.114 0.478 -0.543 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.520 0.091 -1.232 1.00 0.66 H new ATOM 0 HG21 VAL B 48 19.002 0.289 1.447 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.768 -1.044 0.291 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.218 -1.396 1.977 1.00 0.56 H new ATOM 2191 N PRO B 49 22.556 -2.857 2.319 1.00 0.62 N ATOM 2192 CA PRO B 49 22.740 -3.657 3.540 1.00 0.63 C ATOM 2193 C PRO B 49 21.719 -3.291 4.622 1.00 0.60 C ATOM 2194 O PRO B 49 21.205 -2.168 4.651 1.00 0.61 O ATOM 2195 CB PRO B 49 24.162 -3.303 3.997 1.00 0.69 C ATOM 2196 CG PRO B 49 24.826 -2.699 2.811 1.00 0.79 C ATOM 2197 CD PRO B 49 23.736 -2.024 2.030 1.00 0.67 C ATOM 0 HA PRO B 49 22.598 -4.722 3.357 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.142 -2.604 4.833 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.697 -4.190 4.336 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.591 -1.983 3.113 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.322 -3.461 2.211 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.590 -0.992 2.350 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.960 -1.998 0.964 1.00 0.67 H new ATOM 2205 N GLU B 50 21.469 -4.233 5.526 1.00 0.61 N ATOM 2206 CA GLU B 50 20.498 -4.061 6.611 1.00 0.61 C ATOM 2207 C GLU B 50 21.030 -3.149 7.725 1.00 0.67 C ATOM 2208 O GLU B 50 20.476 -3.100 8.822 1.00 1.01 O ATOM 2209 CB GLU B 50 20.128 -5.431 7.189 1.00 0.68 C ATOM 2210 CG GLU B 50 18.814 -5.450 7.954 1.00 0.86 C ATOM 2211 CD GLU B 50 18.689 -6.656 8.858 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.496 -6.783 9.804 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.782 -7.488 8.635 1.00 1.08 O ATOM 0 H GLU B 50 21.933 -5.141 5.530 1.00 0.61 H new ATOM 0 HA GLU B 50 19.614 -3.580 6.193 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.072 -6.153 6.375 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.927 -5.761 7.853 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.732 -4.542 8.551 1.00 0.86 H new ATOM 0 HG3 GLU B 50 17.985 -5.443 7.246 1.00 0.86 H new ATOM 2220 N ASN B 51 22.104 -2.430 7.445 1.00 0.67 N ATOM 2221 CA ASN B 51 22.686 -1.518 8.419 1.00 0.69 C ATOM 2222 C ASN B 51 22.968 -0.166 7.775 1.00 0.71 C ATOM 2223 O ASN B 51 23.934 0.518 8.121 1.00 0.96 O ATOM 2224 CB ASN B 51 23.963 -2.106 9.038 1.00 0.76 C ATOM 2225 CG ASN B 51 24.925 -2.699 8.020 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.016 -2.241 6.882 1.00 0.87 O ATOM 2227 ND2 ASN B 51 25.650 -3.732 8.429 1.00 1.20 N ATOM 0 H ASN B 51 22.592 -2.459 6.550 1.00 0.67 H new ATOM 0 HA ASN B 51 21.965 -1.375 9.224 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.477 -1.324 9.597 1.00 0.76 H new ATOM 0 HB3 ASN B 51 23.685 -2.879 9.754 1.00 0.76 H new ATOM 0 HD21 ASN B 51 26.312 -4.175 7.791 1.00 1.20 H new ATOM 0 HD22 ASN B 51 25.546 -4.083 9.381 1.00 1.20 H new ATOM 2234 N SER B 52 22.106 0.222 6.847 1.00 0.65 N ATOM 2235 CA SER B 52 22.257 1.489 6.150 1.00 0.67 C ATOM 2236 C SER B 52 21.120 2.446 6.509 1.00 0.63 C ATOM 2237 O SER B 52 19.955 2.050 6.574 1.00 0.68 O ATOM 2238 CB SER B 52 22.297 1.247 4.645 1.00 0.71 C ATOM 2239 OG SER B 52 23.099 0.116 4.343 1.00 0.86 O ATOM 0 H SER B 52 21.294 -0.324 6.559 1.00 0.65 H new ATOM 0 HA SER B 52 23.194 1.950 6.461 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.286 1.093 4.269 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.695 2.127 4.140 1.00 0.71 H new ATOM 0 HG SER B 52 22.559 -0.698 4.419 1.00 0.86 H new ATOM 2245 N SER B 53 21.472 3.698 6.754 1.00 0.65 N ATOM 2246 CA SER B 53 20.496 4.717 7.107 1.00 0.64 C ATOM 2247 C SER B 53 19.829 5.295 5.857 1.00 0.57 C ATOM 2248 O SER B 53 20.303 5.090 4.737 1.00 0.58 O ATOM 2249 CB SER B 53 21.180 5.823 7.910 1.00 0.75 C ATOM 2250 OG SER B 53 22.176 5.281 8.765 1.00 0.89 O ATOM 0 H SER B 53 22.434 4.035 6.714 1.00 0.65 H new ATOM 0 HA SER B 53 19.717 4.260 7.717 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.631 6.546 7.231 1.00 0.75 H new ATOM 0 HB3 SER B 53 20.439 6.361 8.502 1.00 0.75 H new ATOM 0 HG SER B 53 22.603 6.005 9.269 1.00 0.89 H new ATOM 2256 N VAL B 54 18.737 6.030 6.058 1.00 0.54 N ATOM 2257 CA VAL B 54 17.994 6.634 4.955 1.00 0.49 C ATOM 2258 C VAL B 54 18.830 7.702 4.252 1.00 0.48 C ATOM 2259 O VAL B 54 18.668 7.939 3.055 1.00 0.47 O ATOM 2260 CB VAL B 54 16.670 7.264 5.449 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.857 7.815 4.287 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.851 6.248 6.229 1.00 0.58 C ATOM 0 H VAL B 54 18.346 6.222 6.980 1.00 0.54 H new ATOM 0 HA VAL B 54 17.764 5.837 4.248 1.00 0.49 H new ATOM 0 HB VAL B 54 16.922 8.092 6.111 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.932 8.251 4.665 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.435 8.581 3.769 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.621 7.008 3.593 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.924 6.711 6.568 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.619 5.398 5.587 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.422 5.906 7.092 1.00 0.58 H new ATOM 2272 N GLN B 55 19.733 8.329 5.002 1.00 0.53 N ATOM 2273 CA GLN B 55 20.607 9.367 4.455 1.00 0.58 C ATOM 2274 C GLN B 55 21.364 8.853 3.232 1.00 0.58 C ATOM 2275 O GLN B 55 21.496 9.555 2.227 1.00 0.64 O ATOM 2276 CB GLN B 55 21.598 9.831 5.523 1.00 0.67 C ATOM 2277 CG GLN B 55 20.944 10.545 6.696 1.00 0.88 C ATOM 2278 CD GLN B 55 21.862 10.659 7.901 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.696 9.789 8.145 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.714 11.733 8.658 1.00 1.23 N ATOM 0 H GLN B 55 19.880 8.137 5.993 1.00 0.53 H new ATOM 0 HA GLN B 55 19.987 10.209 4.147 1.00 0.58 H new ATOM 0 HB2 GLN B 55 22.147 8.967 5.896 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.327 10.498 5.064 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.637 11.543 6.383 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.039 10.009 6.983 1.00 0.88 H new ATOM 0 HE21 GLN B 55 21.010 12.431 8.420 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.304 11.863 9.480 1.00 1.23 H new ATOM 2289 N GLN B 56 21.834 7.617 3.328 1.00 0.56 N ATOM 2290 CA GLN B 56 22.574 6.974 2.250 1.00 0.60 C ATOM 2291 C GLN B 56 21.652 6.653 1.075 1.00 0.55 C ATOM 2292 O GLN B 56 22.027 6.808 -0.088 1.00 0.62 O ATOM 2293 CB GLN B 56 23.215 5.686 2.768 1.00 0.65 C ATOM 2294 CG GLN B 56 24.251 5.079 1.833 1.00 0.80 C ATOM 2295 CD GLN B 56 25.665 5.254 2.343 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.152 4.452 3.141 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.334 6.297 1.884 1.00 1.27 N ATOM 0 H GLN B 56 21.713 7.032 4.155 1.00 0.56 H new ATOM 0 HA GLN B 56 23.349 7.658 1.904 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.686 5.890 3.729 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.430 4.951 2.948 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.043 4.017 1.706 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.163 5.541 0.850 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.892 6.936 1.224 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.293 6.463 2.190 1.00 1.27 H new ATOM 2306 N PHE B 57 20.440 6.220 1.398 1.00 0.50 N ATOM 2307 CA PHE B 57 19.450 5.852 0.391 1.00 0.49 C ATOM 2308 C PHE B 57 18.987 7.069 -0.416 1.00 0.47 C ATOM 2309 O PHE B 57 18.937 7.020 -1.647 1.00 0.49 O ATOM 2310 CB PHE B 57 18.253 5.178 1.069 1.00 0.48 C ATOM 2311 CG PHE B 57 17.360 4.418 0.130 1.00 0.50 C ATOM 2312 CD1 PHE B 57 17.890 3.490 -0.751 1.00 0.56 C ATOM 2313 CD2 PHE B 57 15.991 4.628 0.136 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.069 2.787 -1.611 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.165 3.928 -0.721 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.706 3.006 -1.597 1.00 0.64 C ATOM 0 H PHE B 57 20.116 6.114 2.359 1.00 0.50 H new ATOM 0 HA PHE B 57 19.916 5.155 -0.305 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.621 4.495 1.835 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.662 5.939 1.578 1.00 0.48 H new ATOM 0 HD1 PHE B 57 18.956 3.314 -0.766 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.565 5.348 0.819 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.493 2.066 -2.294 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.099 4.101 -0.707 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.063 2.458 -2.270 1.00 0.64 H new ATOM 2326 N LYS B 58 18.675 8.157 0.280 1.00 0.47 N ATOM 2327 CA LYS B 58 18.203 9.381 -0.365 1.00 0.48 C ATOM 2328 C LYS B 58 19.223 9.918 -1.363 1.00 0.49 C ATOM 2329 O LYS B 58 18.869 10.328 -2.469 1.00 0.53 O ATOM 2330 CB LYS B 58 17.904 10.458 0.683 1.00 0.53 C ATOM 2331 CG LYS B 58 16.645 10.195 1.499 1.00 0.62 C ATOM 2332 CD LYS B 58 16.502 11.189 2.642 1.00 0.70 C ATOM 2333 CE LYS B 58 16.067 12.563 2.150 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.469 13.643 3.090 1.00 1.01 N ATOM 0 H LYS B 58 18.740 8.218 1.296 1.00 0.47 H new ATOM 0 HA LYS B 58 17.289 9.131 -0.905 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.754 10.537 1.361 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.805 11.421 0.182 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.771 10.257 0.851 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.675 9.181 1.899 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.773 10.813 3.360 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.453 11.276 3.168 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.505 12.753 1.170 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.985 12.577 2.023 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.748 14.393 3.086 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.557 13.253 4.050 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.383 14.040 2.792 1.00 1.01 H new ATOM 2348 N GLU B 59 20.491 9.899 -0.971 1.00 0.51 N ATOM 2349 CA GLU B 59 21.564 10.403 -1.819 1.00 0.56 C ATOM 2350 C GLU B 59 21.870 9.439 -2.968 1.00 0.57 C ATOM 2351 O GLU B 59 22.442 9.828 -3.989 1.00 0.65 O ATOM 2352 CB GLU B 59 22.812 10.652 -0.975 1.00 0.63 C ATOM 2353 CG GLU B 59 23.817 11.582 -1.633 1.00 1.06 C ATOM 2354 CD GLU B 59 24.689 12.299 -0.627 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.490 11.630 0.061 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.568 13.537 -0.509 1.00 1.14 O ATOM 0 H GLU B 59 20.802 9.539 -0.069 1.00 0.51 H new ATOM 0 HA GLU B 59 21.239 11.344 -2.263 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.513 11.074 -0.016 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.295 9.698 -0.766 1.00 0.63 H new ATOM 0 HG2 GLU B 59 24.448 11.008 -2.312 1.00 1.06 H new ATOM 0 HG3 GLU B 59 23.285 12.317 -2.237 1.00 1.06 H new ATOM 2363 N ALA B 60 21.471 8.186 -2.810 1.00 0.55 N ATOM 2364 CA ALA B 60 21.708 7.184 -3.837 1.00 0.57 C ATOM 2365 C ALA B 60 20.719 7.350 -4.985 1.00 0.56 C ATOM 2366 O ALA B 60 21.111 7.421 -6.152 1.00 0.59 O ATOM 2367 CB ALA B 60 21.612 5.784 -3.249 1.00 0.59 C ATOM 0 H ALA B 60 20.983 7.840 -1.984 1.00 0.55 H new ATOM 0 HA ALA B 60 22.716 7.325 -4.228 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.792 5.047 -4.032 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.358 5.668 -2.463 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.617 5.633 -2.830 1.00 0.59 H new ATOM 2373 N ILE B 61 19.439 7.437 -4.646 1.00 0.52 N ATOM 2374 CA ILE B 61 18.383 7.585 -5.644 1.00 0.52 C ATOM 2375 C ILE B 61 18.558 8.872 -6.450 1.00 0.55 C ATOM 2376 O ILE B 61 18.344 8.890 -7.662 1.00 0.59 O ATOM 2377 CB ILE B 61 16.984 7.579 -4.990 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.786 6.302 -4.172 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.894 7.702 -6.047 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.498 6.286 -3.376 1.00 0.56 C ATOM 0 H ILE B 61 19.104 7.408 -3.683 1.00 0.52 H new ATOM 0 HA ILE B 61 18.462 6.731 -6.316 1.00 0.52 H new ATOM 0 HB ILE B 61 16.914 8.438 -4.323 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.799 5.444 -4.844 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.627 6.184 -3.489 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.917 7.696 -5.564 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.022 8.636 -6.595 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.962 6.863 -6.739 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.425 5.351 -2.821 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.491 7.124 -2.678 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.650 6.372 -4.055 1.00 0.56 H new ATOM 2392 N SER B 62 18.981 9.935 -5.779 1.00 0.55 N ATOM 2393 CA SER B 62 19.168 11.228 -6.427 1.00 0.59 C ATOM 2394 C SER B 62 20.306 11.198 -7.449 1.00 0.63 C ATOM 2395 O SER B 62 20.325 11.993 -8.390 1.00 0.70 O ATOM 2396 CB SER B 62 19.436 12.302 -5.375 1.00 0.61 C ATOM 2397 OG SER B 62 20.220 11.784 -4.316 1.00 0.70 O ATOM 0 H SER B 62 19.202 9.928 -4.783 1.00 0.55 H new ATOM 0 HA SER B 62 18.251 11.463 -6.966 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.949 13.147 -5.834 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.491 12.678 -4.984 1.00 0.61 H new ATOM 0 HG SER B 62 19.636 11.360 -3.654 1.00 0.70 H new ATOM 2403 N LYS B 63 21.242 10.274 -7.273 1.00 0.63 N ATOM 2404 CA LYS B 63 22.374 10.161 -8.184 1.00 0.69 C ATOM 2405 C LYS B 63 22.093 9.142 -9.285 1.00 0.71 C ATOM 2406 O LYS B 63 22.407 9.373 -10.456 1.00 0.82 O ATOM 2407 CB LYS B 63 23.638 9.760 -7.417 1.00 0.72 C ATOM 2408 CG LYS B 63 24.931 10.125 -8.133 1.00 0.84 C ATOM 2409 CD LYS B 63 25.081 11.630 -8.267 1.00 1.00 C ATOM 2410 CE LYS B 63 26.498 12.024 -8.649 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.848 11.603 -10.033 1.00 1.28 N ATOM 0 H LYS B 63 21.240 9.595 -6.512 1.00 0.63 H new ATOM 0 HA LYS B 63 22.529 11.136 -8.647 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.627 10.241 -6.439 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.621 8.684 -7.243 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.781 9.720 -7.583 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.944 9.667 -9.122 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.385 11.999 -9.021 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.812 12.107 -7.325 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.608 13.105 -8.562 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.200 11.574 -7.946 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.823 11.893 -10.248 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 26.769 10.569 -10.112 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.196 12.052 -10.708 1.00 1.28 H new ATOM 2425 N ARG B 64 21.499 8.019 -8.904 1.00 0.67 N ATOM 2426 CA ARG B 64 21.191 6.955 -9.855 1.00 0.70 C ATOM 2427 C ARG B 64 19.993 7.317 -10.730 1.00 0.70 C ATOM 2428 O ARG B 64 20.094 7.325 -11.955 1.00 0.75 O ATOM 2429 CB ARG B 64 20.921 5.642 -9.116 1.00 0.70 C ATOM 2430 CG ARG B 64 22.041 5.211 -8.178 1.00 0.72 C ATOM 2431 CD ARG B 64 23.232 4.627 -8.927 1.00 0.81 C ATOM 2432 NE ARG B 64 24.173 5.655 -9.383 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.236 6.065 -8.685 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.502 5.546 -7.494 1.00 1.05 N ATOM 2435 NH2 ARG B 64 26.045 6.994 -9.187 1.00 1.07 N ATOM 0 H ARG B 64 21.220 7.820 -7.943 1.00 0.67 H new ATOM 0 HA ARG B 64 22.058 6.830 -10.504 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.000 5.744 -8.541 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.753 4.853 -9.849 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.369 6.068 -7.590 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.658 4.471 -7.475 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.755 3.924 -8.278 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.873 4.061 -9.787 1.00 0.81 H new ATOM 0 HE ARG B 64 24.005 6.085 -10.292 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.893 4.827 -7.103 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.316 5.865 -6.969 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.854 7.394 -10.106 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.856 7.306 -8.653 1.00 1.07 H new ATOM 2449 N PHE B 65 18.866 7.632 -10.104 1.00 0.67 N ATOM 2450 CA PHE B 65 17.653 7.979 -10.843 1.00 0.68 C ATOM 2451 C PHE B 65 17.699 9.421 -11.333 1.00 0.70 C ATOM 2452 O PHE B 65 17.108 9.747 -12.364 1.00 0.75 O ATOM 2453 CB PHE B 65 16.408 7.766 -9.978 1.00 0.66 C ATOM 2454 CG PHE B 65 15.543 6.631 -10.435 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.862 6.701 -11.640 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.403 5.496 -9.655 1.00 0.88 C ATOM 2457 CE1 PHE B 65 14.062 5.658 -12.063 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.605 4.448 -10.071 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.931 4.530 -11.276 1.00 1.00 C ATOM 0 H PHE B 65 18.764 7.655 -9.089 1.00 0.67 H new ATOM 0 HA PHE B 65 17.599 7.320 -11.709 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.718 7.583 -8.949 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.818 8.682 -9.975 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.958 7.583 -12.256 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.923 5.429 -8.711 1.00 0.88 H new ATOM 0 HE1 PHE B 65 13.540 5.724 -13.006 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.507 3.566 -9.456 1.00 1.02 H new ATOM 0 HZ PHE B 65 13.303 3.714 -11.601 1.00 1.00 H new ATOM 2469 N LYS B 66 18.394 10.271 -10.580 1.00 0.68 N ATOM 2470 CA LYS B 66 18.534 11.690 -10.916 1.00 0.71 C ATOM 2471 C LYS B 66 17.183 12.400 -10.840 1.00 0.70 C ATOM 2472 O LYS B 66 16.407 12.403 -11.798 1.00 0.83 O ATOM 2473 CB LYS B 66 19.163 11.862 -12.310 1.00 0.79 C ATOM 2474 CG LYS B 66 19.414 13.311 -12.702 1.00 0.93 C ATOM 2475 CD LYS B 66 20.062 13.417 -14.076 1.00 1.05 C ATOM 2476 CE LYS B 66 19.168 12.847 -15.168 1.00 1.07 C ATOM 2477 NZ LYS B 66 19.802 12.925 -16.510 1.00 1.27 N ATOM 0 H LYS B 66 18.875 9.999 -9.723 1.00 0.68 H new ATOM 0 HA LYS B 66 19.200 12.148 -10.185 1.00 0.71 H new ATOM 0 HB2 LYS B 66 20.108 11.319 -12.340 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.508 11.404 -13.052 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.471 13.857 -12.701 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.057 13.783 -11.959 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.282 14.462 -14.295 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.014 12.886 -14.071 1.00 1.05 H new ATOM 0 HE2 LYS B 66 18.934 11.807 -14.938 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.223 13.390 -15.182 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.158 12.526 -17.222 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.002 13.919 -16.742 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 20.691 12.385 -16.506 1.00 1.27 H new ATOM 2491 N SER B 67 16.894 12.986 -9.688 1.00 0.66 N ATOM 2492 CA SER B 67 15.637 13.694 -9.483 1.00 0.68 C ATOM 2493 C SER B 67 15.791 14.773 -8.414 1.00 0.69 C ATOM 2494 O SER B 67 16.069 15.934 -8.728 1.00 0.90 O ATOM 2495 CB SER B 67 14.526 12.709 -9.091 1.00 0.68 C ATOM 2496 OG SER B 67 14.424 11.654 -10.035 1.00 1.34 O ATOM 0 H SER B 67 17.514 12.986 -8.878 1.00 0.66 H new ATOM 0 HA SER B 67 15.361 14.178 -10.420 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.732 12.298 -8.102 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.574 13.236 -9.026 1.00 0.68 H new ATOM 0 HG SER B 67 13.711 11.039 -9.763 1.00 1.34 H new ATOM 2502 N GLN B 68 15.619 14.382 -7.154 1.00 0.59 N ATOM 2503 CA GLN B 68 15.728 15.302 -6.029 1.00 0.59 C ATOM 2504 C GLN B 68 16.318 14.570 -4.833 1.00 0.54 C ATOM 2505 O GLN B 68 16.426 13.342 -4.854 1.00 0.52 O ATOM 2506 CB GLN B 68 14.356 15.884 -5.676 1.00 0.64 C ATOM 2507 CG GLN B 68 13.854 16.895 -6.695 1.00 0.79 C ATOM 2508 CD GLN B 68 12.520 17.507 -6.326 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.665 16.860 -5.727 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.331 18.766 -6.685 1.00 1.09 N ATOM 0 H GLN B 68 15.401 13.422 -6.886 1.00 0.59 H new ATOM 0 HA GLN B 68 16.385 16.127 -6.305 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.634 15.071 -5.594 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.412 16.361 -4.698 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.593 17.689 -6.802 1.00 0.79 H new ATOM 0 HG3 GLN B 68 13.766 16.408 -7.666 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.065 19.270 -7.182 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.451 19.232 -6.465 1.00 1.09 H new ATOM 2519 N THR B 69 16.696 15.307 -3.795 1.00 0.56 N ATOM 2520 CA THR B 69 17.285 14.688 -2.615 1.00 0.56 C ATOM 2521 C THR B 69 16.578 15.105 -1.327 1.00 0.54 C ATOM 2522 O THR B 69 16.164 14.255 -0.540 1.00 0.55 O ATOM 2523 CB THR B 69 18.779 15.028 -2.491 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.352 15.206 -3.794 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.520 13.922 -1.753 1.00 0.70 C ATOM 0 H THR B 69 16.607 16.322 -3.746 1.00 0.56 H new ATOM 0 HA THR B 69 17.163 13.613 -2.748 1.00 0.56 H new ATOM 0 HB THR B 69 18.875 15.954 -1.924 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.303 15.424 -3.706 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.576 14.181 -1.675 1.00 0.70 H new ATOM 0 HG22 THR B 69 19.100 13.807 -0.754 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.415 12.986 -2.301 1.00 0.70 H new ATOM 2533 N ASP B 70 16.431 16.409 -1.110 1.00 0.56 N ATOM 2534 CA ASP B 70 15.787 16.907 0.107 1.00 0.58 C ATOM 2535 C ASP B 70 14.286 16.655 0.064 1.00 0.55 C ATOM 2536 O ASP B 70 13.693 16.201 1.043 1.00 0.57 O ATOM 2537 CB ASP B 70 16.059 18.401 0.295 1.00 0.66 C ATOM 2538 CG ASP B 70 16.049 18.818 1.759 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.102 18.452 2.489 1.00 0.95 O ATOM 2540 OD2 ASP B 70 16.997 19.513 2.189 1.00 0.99 O ATOM 0 H ASP B 70 16.745 17.136 -1.753 1.00 0.56 H new ATOM 0 HA ASP B 70 16.210 16.366 0.953 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.026 18.648 -0.143 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.307 18.974 -0.247 1.00 0.66 H new ATOM 2545 N GLN B 71 13.685 16.929 -1.086 1.00 0.56 N ATOM 2546 CA GLN B 71 12.251 16.740 -1.267 1.00 0.58 C ATOM 2547 C GLN B 71 11.923 15.275 -1.540 1.00 0.54 C ATOM 2548 O GLN B 71 10.757 14.902 -1.650 1.00 0.66 O ATOM 2549 CB GLN B 71 11.746 17.620 -2.412 1.00 0.65 C ATOM 2550 CG GLN B 71 11.802 19.109 -2.108 1.00 0.83 C ATOM 2551 CD GLN B 71 11.627 19.968 -3.344 1.00 0.92 C ATOM 2552 OE1 GLN B 71 10.507 20.307 -3.729 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.734 20.335 -3.971 1.00 1.18 N ATOM 0 H GLN B 71 14.170 17.284 -1.910 1.00 0.56 H new ATOM 0 HA GLN B 71 11.748 17.033 -0.346 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.340 17.417 -3.303 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.717 17.344 -2.644 1.00 0.65 H new ATOM 0 HG2 GLN B 71 11.024 19.357 -1.386 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.758 19.344 -1.640 1.00 0.83 H new ATOM 0 HE21 GLN B 71 13.643 20.033 -3.620 1.00 1.18 H new ATOM 0 HE22 GLN B 71 12.678 20.920 -4.805 1.00 1.18 H new ATOM 2562 N LEU B 72 12.958 14.451 -1.639 1.00 0.51 N ATOM 2563 CA LEU B 72 12.787 13.027 -1.896 1.00 0.49 C ATOM 2564 C LEU B 72 12.354 12.313 -0.618 1.00 0.43 C ATOM 2565 O LEU B 72 13.112 12.251 0.354 1.00 0.51 O ATOM 2566 CB LEU B 72 14.095 12.434 -2.414 1.00 0.57 C ATOM 2567 CG LEU B 72 13.941 11.231 -3.342 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.482 11.676 -4.723 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.247 10.460 -3.433 1.00 1.00 C ATOM 0 H LEU B 72 13.930 14.746 -1.545 1.00 0.51 H new ATOM 0 HA LEU B 72 12.013 12.891 -2.652 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.644 13.213 -2.943 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.705 12.138 -1.560 1.00 0.57 H new ATOM 0 HG LEU B 72 13.180 10.570 -2.927 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.378 10.805 -5.370 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.521 12.184 -4.641 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.218 12.358 -5.149 1.00 0.88 H new ATOM 0 HD21 LEU B 72 15.120 9.606 -4.098 1.00 1.00 H new ATOM 0 HD22 LEU B 72 16.028 11.112 -3.825 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.532 10.108 -2.441 1.00 1.00 H new ATOM 2581 N VAL B 73 11.137 11.786 -0.619 1.00 0.37 N ATOM 2582 CA VAL B 73 10.602 11.103 0.552 1.00 0.35 C ATOM 2583 C VAL B 73 10.015 9.743 0.190 1.00 0.30 C ATOM 2584 O VAL B 73 9.358 9.593 -0.839 1.00 0.31 O ATOM 2585 CB VAL B 73 9.501 11.950 1.227 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.123 11.372 2.580 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.947 13.395 1.371 1.00 0.55 C ATOM 0 H VAL B 73 10.502 11.818 -1.416 1.00 0.37 H new ATOM 0 HA VAL B 73 11.435 10.960 1.240 1.00 0.35 H new ATOM 0 HB VAL B 73 8.618 11.924 0.588 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.346 11.987 3.034 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.752 10.355 2.450 1.00 0.46 H new ATOM 0 HG13 VAL B 73 10.000 11.358 3.228 1.00 0.46 H new ATOM 0 HG21 VAL B 73 9.157 13.974 1.849 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.849 13.438 1.982 1.00 0.55 H new ATOM 0 HG23 VAL B 73 10.156 13.811 0.386 1.00 0.55 H new ATOM 2597 N LEU B 74 10.268 8.757 1.042 1.00 0.30 N ATOM 2598 CA LEU B 74 9.745 7.415 0.843 1.00 0.29 C ATOM 2599 C LEU B 74 8.504 7.235 1.708 1.00 0.28 C ATOM 2600 O LEU B 74 8.355 7.906 2.727 1.00 0.36 O ATOM 2601 CB LEU B 74 10.793 6.353 1.201 1.00 0.33 C ATOM 2602 CG LEU B 74 11.887 6.102 0.152 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.280 5.922 -1.231 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.901 7.237 0.148 1.00 0.64 C ATOM 0 H LEU B 74 10.836 8.865 1.882 1.00 0.30 H new ATOM 0 HA LEU B 74 9.489 7.289 -0.209 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.274 6.646 2.134 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.277 5.412 1.390 1.00 0.33 H new ATOM 0 HG LEU B 74 12.405 5.181 0.419 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.074 5.746 -1.957 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.601 5.070 -1.222 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.730 6.822 -1.507 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.666 7.038 -0.602 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.397 8.174 -0.087 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.367 7.312 1.131 1.00 0.64 H new ATOM 2616 N ILE B 75 7.610 6.349 1.305 1.00 0.29 N ATOM 2617 CA ILE B 75 6.389 6.110 2.060 1.00 0.33 C ATOM 2618 C ILE B 75 6.205 4.628 2.353 1.00 0.31 C ATOM 2619 O ILE B 75 6.332 3.791 1.460 1.00 0.36 O ATOM 2620 CB ILE B 75 5.140 6.624 1.306 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.252 8.126 1.025 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.873 6.322 2.097 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.398 8.974 2.271 1.00 0.74 C ATOM 0 H ILE B 75 7.705 5.784 0.461 1.00 0.29 H new ATOM 0 HA ILE B 75 6.492 6.659 2.996 1.00 0.33 H new ATOM 0 HB ILE B 75 5.083 6.102 0.351 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.110 8.301 0.376 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.367 8.450 0.478 1.00 0.47 H new ATOM 0 HG21 ILE B 75 3.006 6.691 1.550 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.781 5.245 2.239 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.925 6.813 3.069 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.471 10.024 1.990 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.529 8.830 2.913 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.299 8.679 2.809 1.00 0.74 H new ATOM 2635 N PHE B 76 5.916 4.320 3.609 1.00 0.31 N ATOM 2636 CA PHE B 76 5.694 2.948 4.035 1.00 0.35 C ATOM 2637 C PHE B 76 4.250 2.776 4.513 1.00 0.31 C ATOM 2638 O PHE B 76 3.990 2.634 5.710 1.00 0.40 O ATOM 2639 CB PHE B 76 6.688 2.567 5.144 1.00 0.48 C ATOM 2640 CG PHE B 76 6.525 1.163 5.659 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.509 0.085 4.790 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.383 0.925 7.017 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.349 -1.202 5.264 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.226 -0.359 7.496 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.210 -1.426 6.618 1.00 0.78 C ATOM 0 H PHE B 76 5.829 5.009 4.356 1.00 0.31 H new ATOM 0 HA PHE B 76 5.859 2.281 3.189 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.703 2.688 4.765 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.573 3.263 5.975 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.623 0.253 3.729 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.395 1.755 7.708 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.333 -2.033 4.575 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.116 -0.530 8.557 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.089 -2.432 6.991 1.00 0.78 H new ATOM 2655 N ALA B 77 3.316 2.834 3.561 1.00 0.40 N ATOM 2656 CA ALA B 77 1.890 2.673 3.841 1.00 0.48 C ATOM 2657 C ALA B 77 1.403 3.673 4.886 1.00 0.41 C ATOM 2658 O ALA B 77 1.266 3.343 6.065 1.00 0.44 O ATOM 2659 CB ALA B 77 1.587 1.244 4.276 1.00 0.62 C ATOM 0 H ALA B 77 3.528 2.994 2.576 1.00 0.40 H new ATOM 0 HA ALA B 77 1.348 2.877 2.918 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.521 1.144 4.480 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.871 0.554 3.481 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.152 1.011 5.178 1.00 0.62 H new ATOM 2665 N GLY B 78 1.138 4.894 4.443 1.00 0.46 N ATOM 2666 CA GLY B 78 0.672 5.927 5.347 1.00 0.54 C ATOM 2667 C GLY B 78 1.721 6.344 6.358 1.00 0.50 C ATOM 2668 O GLY B 78 1.386 6.765 7.465 1.00 0.63 O ATOM 0 H GLY B 78 1.238 5.188 3.472 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.366 6.798 4.768 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.212 5.569 5.875 1.00 0.54 H new ATOM 2672 N LYS B 79 2.989 6.234 5.981 1.00 0.42 N ATOM 2673 CA LYS B 79 4.084 6.593 6.873 1.00 0.43 C ATOM 2674 C LYS B 79 5.197 7.294 6.105 1.00 0.39 C ATOM 2675 O LYS B 79 5.698 6.769 5.109 1.00 0.43 O ATOM 2676 CB LYS B 79 4.634 5.338 7.562 1.00 0.50 C ATOM 2677 CG LYS B 79 4.889 5.511 9.052 1.00 0.72 C ATOM 2678 CD LYS B 79 3.585 5.623 9.835 1.00 1.16 C ATOM 2679 CE LYS B 79 2.878 6.943 9.575 1.00 1.57 C ATOM 2680 NZ LYS B 79 1.412 6.847 9.798 1.00 2.02 N ATOM 0 H LYS B 79 3.284 5.899 5.064 1.00 0.42 H new ATOM 0 HA LYS B 79 3.701 7.278 7.629 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.930 4.519 7.417 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.565 5.048 7.076 1.00 0.50 H new ATOM 0 HG2 LYS B 79 5.466 4.664 9.424 1.00 0.72 H new ATOM 0 HG3 LYS B 79 5.491 6.404 9.217 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.926 4.799 9.562 1.00 1.16 H new ATOM 0 HD3 LYS B 79 3.792 5.526 10.901 1.00 1.16 H new ATOM 0 HE2 LYS B 79 3.294 7.711 10.228 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.068 7.259 8.549 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 1.084 7.688 10.314 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.924 6.791 8.881 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 1.201 5.995 10.355 1.00 2.02 H new ATOM 2694 N ILE B 80 5.578 8.478 6.573 1.00 0.37 N ATOM 2695 CA ILE B 80 6.632 9.260 5.928 1.00 0.39 C ATOM 2696 C ILE B 80 8.011 8.739 6.311 1.00 0.39 C ATOM 2697 O ILE B 80 8.383 8.723 7.484 1.00 0.61 O ATOM 2698 CB ILE B 80 6.558 10.772 6.269 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.623 11.053 7.450 1.00 0.67 C ATOM 2700 CG2 ILE B 80 6.120 11.566 5.054 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.271 10.853 8.802 1.00 1.18 C ATOM 0 H ILE B 80 5.173 8.920 7.398 1.00 0.37 H new ATOM 0 HA ILE B 80 6.471 9.145 4.856 1.00 0.39 H new ATOM 0 HB ILE B 80 7.559 11.086 6.564 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.261 12.079 7.379 1.00 0.67 H new ATOM 0 HG13 ILE B 80 4.752 10.402 7.375 1.00 0.67 H new ATOM 0 HG21 ILE B 80 6.073 12.625 5.309 1.00 0.97 H new ATOM 0 HG22 ILE B 80 6.836 11.419 4.246 1.00 0.97 H new ATOM 0 HG23 ILE B 80 5.136 11.226 4.733 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.548 11.071 9.588 1.00 1.18 H new ATOM 0 HD12 ILE B 80 6.608 9.821 8.895 1.00 1.18 H new ATOM 0 HD13 ILE B 80 7.125 11.523 8.899 1.00 1.18 H new ATOM 2713 N LEU B 81 8.769 8.315 5.316 1.00 0.30 N ATOM 2714 CA LEU B 81 10.103 7.787 5.542 1.00 0.34 C ATOM 2715 C LEU B 81 11.162 8.734 4.997 1.00 0.36 C ATOM 2716 O LEU B 81 11.292 8.924 3.786 1.00 0.46 O ATOM 2717 CB LEU B 81 10.254 6.413 4.891 1.00 0.44 C ATOM 2718 CG LEU B 81 10.069 5.216 5.823 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.696 5.237 6.472 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.275 3.923 5.050 1.00 0.78 C ATOM 0 H LEU B 81 8.481 8.326 4.337 1.00 0.30 H new ATOM 0 HA LEU B 81 10.245 7.688 6.618 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.531 6.334 4.080 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.245 6.351 4.442 1.00 0.44 H new ATOM 0 HG LEU B 81 10.813 5.277 6.617 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.591 4.374 7.130 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.582 6.152 7.053 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.928 5.200 5.700 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.142 3.073 5.720 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.548 3.864 4.240 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.283 3.904 4.635 1.00 0.78 H new ATOM 2732 N LYS B 82 11.905 9.336 5.906 1.00 0.39 N ATOM 2733 CA LYS B 82 12.974 10.253 5.555 1.00 0.47 C ATOM 2734 C LYS B 82 14.124 10.042 6.527 1.00 0.49 C ATOM 2735 O LYS B 82 14.157 9.033 7.231 1.00 0.63 O ATOM 2736 CB LYS B 82 12.487 11.709 5.588 1.00 0.54 C ATOM 2737 CG LYS B 82 12.616 12.418 4.245 1.00 0.94 C ATOM 2738 CD LYS B 82 12.331 13.912 4.347 1.00 1.01 C ATOM 2739 CE LYS B 82 10.888 14.195 4.745 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.477 15.584 4.402 1.00 1.35 N ATOM 0 H LYS B 82 11.785 9.203 6.910 1.00 0.39 H new ATOM 0 HA LYS B 82 13.309 10.053 4.537 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.444 11.729 5.903 1.00 0.54 H new ATOM 0 HB3 LYS B 82 13.057 12.259 6.337 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.622 12.269 3.854 1.00 0.94 H new ATOM 0 HG3 LYS B 82 11.926 11.967 3.531 1.00 0.94 H new ATOM 0 HD2 LYS B 82 13.003 14.359 5.079 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.542 14.387 3.389 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.228 13.487 4.243 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.770 14.036 5.817 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.893 15.973 5.169 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 11.323 16.176 4.278 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 9.928 15.575 3.519 1.00 1.35 H new ATOM 2754 N ASP B 83 15.054 10.981 6.582 1.00 0.60 N ATOM 2755 CA ASP B 83 16.199 10.876 7.482 1.00 0.68 C ATOM 2756 C ASP B 83 15.798 11.211 8.920 1.00 0.68 C ATOM 2757 O ASP B 83 16.387 12.076 9.567 1.00 0.89 O ATOM 2758 CB ASP B 83 17.343 11.778 7.007 1.00 0.88 C ATOM 2759 CG ASP B 83 16.880 13.159 6.591 1.00 1.20 C ATOM 2760 OD1 ASP B 83 16.047 13.262 5.663 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.362 14.153 7.175 1.00 1.52 O ATOM 0 H ASP B 83 15.042 11.828 6.014 1.00 0.60 H new ATOM 0 HA ASP B 83 16.551 9.844 7.466 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.078 11.874 7.806 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.847 11.302 6.166 1.00 0.88 H new ATOM 2766 N GLN B 84 14.783 10.508 9.402 1.00 0.60 N ATOM 2767 CA GLN B 84 14.278 10.678 10.756 1.00 0.67 C ATOM 2768 C GLN B 84 14.496 9.390 11.529 1.00 0.61 C ATOM 2769 O GLN B 84 14.878 9.397 12.698 1.00 0.81 O ATOM 2770 CB GLN B 84 12.788 11.021 10.734 1.00 0.77 C ATOM 2771 CG GLN B 84 12.475 12.362 10.097 1.00 0.93 C ATOM 2772 CD GLN B 84 11.009 12.506 9.738 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.141 11.892 10.360 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.721 13.323 8.739 1.00 1.28 N ATOM 0 H GLN B 84 14.285 9.801 8.862 1.00 0.60 H new ATOM 0 HA GLN B 84 14.813 11.497 11.237 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.253 10.240 10.194 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.409 11.018 11.756 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.758 13.161 10.782 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.080 12.484 9.198 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.469 13.813 8.249 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.750 13.463 8.458 1.00 1.28 H new ATOM 2783 N ASP B 85 14.244 8.283 10.850 1.00 0.52 N ATOM 2784 CA ASP B 85 14.420 6.964 11.426 1.00 0.51 C ATOM 2785 C ASP B 85 15.227 6.105 10.456 1.00 0.44 C ATOM 2786 O ASP B 85 15.747 6.618 9.466 1.00 0.48 O ATOM 2787 CB ASP B 85 13.066 6.318 11.753 1.00 0.61 C ATOM 2788 CG ASP B 85 12.291 5.862 10.534 1.00 0.68 C ATOM 2789 OD1 ASP B 85 12.058 6.680 9.620 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.886 4.679 10.505 1.00 0.86 O ATOM 0 H ASP B 85 13.912 8.275 9.885 1.00 0.52 H new ATOM 0 HA ASP B 85 14.964 7.049 12.366 1.00 0.51 H new ATOM 0 HB2 ASP B 85 13.232 5.462 12.407 1.00 0.61 H new ATOM 0 HB3 ASP B 85 12.460 7.032 12.310 1.00 0.61 H new ATOM 2795 N THR B 86 15.352 4.819 10.732 1.00 0.49 N ATOM 2796 CA THR B 86 16.128 3.942 9.867 1.00 0.47 C ATOM 2797 C THR B 86 15.241 3.110 8.943 1.00 0.42 C ATOM 2798 O THR B 86 14.290 2.464 9.386 1.00 0.41 O ATOM 2799 CB THR B 86 17.021 3.011 10.699 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.831 3.289 12.092 1.00 0.67 O ATOM 2801 CG2 THR B 86 18.487 3.199 10.335 1.00 0.67 C ATOM 0 H THR B 86 14.931 4.360 11.540 1.00 0.49 H new ATOM 0 HA THR B 86 16.751 4.585 9.245 1.00 0.47 H new ATOM 0 HB THR B 86 16.743 1.979 10.486 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.399 2.694 12.625 1.00 0.67 H new ATOM 0 HG21 THR B 86 19.100 2.529 10.937 1.00 0.67 H new ATOM 0 HG22 THR B 86 18.632 2.972 9.279 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.780 4.231 10.528 1.00 0.67 H new ATOM 2809 N LEU B 87 15.570 3.136 7.653 1.00 0.43 N ATOM 2810 CA LEU B 87 14.832 2.385 6.638 1.00 0.42 C ATOM 2811 C LEU B 87 14.873 0.890 6.935 1.00 0.42 C ATOM 2812 O LEU B 87 13.884 0.180 6.764 1.00 0.44 O ATOM 2813 CB LEU B 87 15.435 2.653 5.254 1.00 0.51 C ATOM 2814 CG LEU B 87 14.849 1.832 4.103 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.548 2.449 3.607 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.855 1.722 2.967 1.00 0.66 C ATOM 0 H LEU B 87 16.352 3.676 7.282 1.00 0.43 H new ATOM 0 HA LEU B 87 13.793 2.713 6.654 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.309 3.711 5.022 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.507 2.463 5.302 1.00 0.51 H new ATOM 0 HG LEU B 87 14.630 0.830 4.472 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.149 1.849 2.789 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.825 2.477 4.422 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.737 3.463 3.254 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.425 1.135 2.155 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.103 2.719 2.603 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.760 1.233 3.328 1.00 0.66 H new ATOM 2828 N ILE B 88 16.022 0.437 7.408 1.00 0.47 N ATOM 2829 CA ILE B 88 16.234 -0.967 7.736 1.00 0.53 C ATOM 2830 C ILE B 88 15.630 -1.338 9.093 1.00 0.54 C ATOM 2831 O ILE B 88 15.792 -2.462 9.566 1.00 0.66 O ATOM 2832 CB ILE B 88 17.742 -1.298 7.743 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.524 -0.303 8.614 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.292 -1.289 6.326 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.699 -0.744 10.051 1.00 0.91 C ATOM 0 H ILE B 88 16.835 1.030 7.576 1.00 0.47 H new ATOM 0 HA ILE B 88 15.730 -1.552 6.967 1.00 0.53 H new ATOM 0 HB ILE B 88 17.864 -2.295 8.168 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.507 -0.144 8.172 1.00 0.65 H new ATOM 0 HG13 ILE B 88 18.010 0.658 8.600 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.356 -1.524 6.347 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.768 -2.034 5.727 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.147 -0.302 5.886 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.261 0.013 10.598 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.721 -0.874 10.513 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.242 -1.689 10.078 1.00 0.91 H new ATOM 2847 N GLN B 89 14.932 -0.401 9.716 1.00 0.48 N ATOM 2848 CA GLN B 89 14.343 -0.655 11.021 1.00 0.53 C ATOM 2849 C GLN B 89 12.824 -0.798 10.947 1.00 0.52 C ATOM 2850 O GLN B 89 12.232 -1.578 11.693 1.00 0.71 O ATOM 2851 CB GLN B 89 14.714 0.472 11.982 1.00 0.57 C ATOM 2852 CG GLN B 89 14.243 0.241 13.406 1.00 0.69 C ATOM 2853 CD GLN B 89 14.806 -1.030 14.014 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.872 -1.020 14.629 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.093 -2.133 13.842 1.00 0.89 N ATOM 0 H GLN B 89 14.761 0.533 9.344 1.00 0.48 H new ATOM 0 HA GLN B 89 14.743 -1.601 11.386 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.797 0.595 11.983 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.288 1.405 11.615 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.533 1.092 14.022 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.154 0.193 13.420 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.214 -2.097 13.325 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.423 -3.018 14.226 1.00 0.89 H new ATOM 2864 N HIS B 90 12.193 -0.062 10.047 1.00 0.49 N ATOM 2865 CA HIS B 90 10.739 -0.115 9.930 1.00 0.51 C ATOM 2866 C HIS B 90 10.285 -0.210 8.478 1.00 0.50 C ATOM 2867 O HIS B 90 9.474 -1.070 8.137 1.00 0.75 O ATOM 2868 CB HIS B 90 10.119 1.122 10.594 1.00 0.59 C ATOM 2869 CG HIS B 90 8.627 1.057 10.747 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.809 2.155 10.590 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.808 0.024 11.064 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.553 1.802 10.799 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.527 0.515 11.087 1.00 1.10 N ATOM 0 H HIS B 90 12.654 0.572 9.394 1.00 0.49 H new ATOM 0 HA HIS B 90 10.399 -1.017 10.439 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.568 1.256 11.578 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.374 2.003 10.005 1.00 0.59 H new ATOM 0 HD2 HIS B 90 8.108 -0.995 11.261 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.695 2.455 10.744 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.689 -0.028 11.294 1.00 1.10 H new ATOM 2882 N GLY B 91 10.810 0.672 7.639 1.00 0.45 N ATOM 2883 CA GLY B 91 10.441 0.701 6.235 1.00 0.46 C ATOM 2884 C GLY B 91 10.589 -0.631 5.528 1.00 0.45 C ATOM 2885 O GLY B 91 9.604 -1.220 5.084 1.00 0.64 O ATOM 0 H GLY B 91 11.495 1.378 7.910 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.406 1.032 6.149 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.056 1.442 5.724 1.00 0.46 H new ATOM 2889 N ILE B 92 11.814 -1.113 5.423 1.00 0.38 N ATOM 2890 CA ILE B 92 12.066 -2.371 4.745 1.00 0.39 C ATOM 2891 C ILE B 92 12.573 -3.421 5.719 1.00 0.41 C ATOM 2892 O ILE B 92 13.610 -3.250 6.355 1.00 0.46 O ATOM 2893 CB ILE B 92 13.081 -2.200 3.594 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.672 -1.038 2.683 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.199 -3.490 2.789 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.333 -1.228 2.001 1.00 0.43 C ATOM 0 H ILE B 92 12.646 -0.655 5.796 1.00 0.38 H new ATOM 0 HA ILE B 92 11.117 -2.704 4.324 1.00 0.39 H new ATOM 0 HB ILE B 92 14.055 -1.972 4.027 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.640 -0.122 3.273 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.439 -0.900 1.921 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.919 -3.351 1.982 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.536 -4.296 3.441 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.227 -3.746 2.368 1.00 0.47 H new ATOM 0 HD11 ILE B 92 11.117 -0.362 1.375 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.364 -2.125 1.382 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.553 -1.334 2.755 1.00 0.43 H new ATOM 2908 N HIS B 93 11.816 -4.502 5.841 1.00 0.46 N ATOM 2909 CA HIS B 93 12.183 -5.597 6.727 1.00 0.52 C ATOM 2910 C HIS B 93 12.930 -6.662 5.940 1.00 0.54 C ATOM 2911 O HIS B 93 14.097 -6.943 6.210 1.00 0.66 O ATOM 2912 CB HIS B 93 10.942 -6.198 7.394 1.00 0.58 C ATOM 2913 CG HIS B 93 10.447 -5.421 8.574 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.885 -4.165 8.472 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.426 -5.731 9.891 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.542 -3.741 9.673 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.859 -4.672 10.547 1.00 1.10 N ATOM 0 H HIS B 93 10.941 -4.644 5.336 1.00 0.46 H new ATOM 0 HA HIS B 93 12.832 -5.210 7.512 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.143 -6.266 6.656 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.170 -7.215 7.712 1.00 0.58 H new ATOM 0 HD2 HIS B 93 10.789 -6.644 10.341 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.080 -2.792 9.900 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.706 -4.614 11.554 1.00 1.10 H new ATOM 2926 N ASP B 94 12.250 -7.246 4.958 1.00 0.58 N ATOM 2927 CA ASP B 94 12.843 -8.274 4.109 1.00 0.63 C ATOM 2928 C ASP B 94 12.205 -8.230 2.722 1.00 0.78 C ATOM 2929 O ASP B 94 11.656 -9.221 2.232 1.00 1.65 O ATOM 2930 CB ASP B 94 12.665 -9.657 4.738 1.00 0.67 C ATOM 2931 CG ASP B 94 13.438 -10.744 4.009 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.572 -10.480 3.548 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.914 -11.874 3.888 1.00 1.08 O ATOM 0 H ASP B 94 11.281 -7.023 4.730 1.00 0.58 H new ATOM 0 HA ASP B 94 13.911 -8.080 4.013 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.991 -9.622 5.778 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.606 -9.914 4.744 1.00 0.67 H new ATOM 2938 N GLY B 95 12.251 -7.056 2.106 1.00 0.57 N ATOM 2939 CA GLY B 95 11.679 -6.882 0.783 1.00 0.52 C ATOM 2940 C GLY B 95 10.283 -6.294 0.830 1.00 0.46 C ATOM 2941 O GLY B 95 9.297 -7.028 0.917 1.00 0.53 O ATOM 0 H GLY B 95 12.676 -6.217 2.500 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.325 -6.231 0.194 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.648 -7.845 0.274 1.00 0.52 H new ATOM 2945 N LEU B 96 10.193 -4.971 0.765 1.00 0.41 N ATOM 2946 CA LEU B 96 8.904 -4.293 0.815 1.00 0.40 C ATOM 2947 C LEU B 96 8.831 -3.179 -0.226 1.00 0.37 C ATOM 2948 O LEU B 96 9.858 -2.736 -0.749 1.00 0.41 O ATOM 2949 CB LEU B 96 8.652 -3.730 2.217 1.00 0.44 C ATOM 2950 CG LEU B 96 8.324 -4.777 3.285 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.458 -4.190 4.679 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.923 -5.324 3.078 1.00 0.70 C ATOM 0 H LEU B 96 10.996 -4.348 0.678 1.00 0.41 H new ATOM 0 HA LEU B 96 8.128 -5.023 0.585 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.535 -3.174 2.533 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.829 -3.017 2.164 1.00 0.44 H new ATOM 0 HG LEU B 96 9.038 -5.595 3.188 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.220 -4.953 5.420 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.480 -3.843 4.831 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.770 -3.351 4.788 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.705 -6.067 3.845 1.00 0.70 H new ATOM 0 HD22 LEU B 96 6.201 -4.510 3.146 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.855 -5.788 2.094 1.00 0.70 H new ATOM 2964 N THR B 97 7.615 -2.745 -0.528 1.00 0.39 N ATOM 2965 CA THR B 97 7.386 -1.694 -1.508 1.00 0.39 C ATOM 2966 C THR B 97 7.193 -0.331 -0.841 1.00 0.37 C ATOM 2967 O THR B 97 6.402 -0.194 0.097 1.00 0.46 O ATOM 2968 CB THR B 97 6.138 -2.016 -2.352 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.532 -3.229 -1.879 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.492 -2.167 -3.824 1.00 0.78 C ATOM 0 H THR B 97 6.763 -3.110 -0.102 1.00 0.39 H new ATOM 0 HA THR B 97 8.269 -1.648 -2.145 1.00 0.39 H new ATOM 0 HB THR B 97 5.438 -1.187 -2.250 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.738 -3.429 -2.417 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.591 -2.394 -4.394 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.929 -1.238 -4.190 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.211 -2.978 -3.944 1.00 0.78 H new ATOM 2978 N VAL B 98 7.917 0.668 -1.324 1.00 0.33 N ATOM 2979 CA VAL B 98 7.812 2.020 -0.786 1.00 0.31 C ATOM 2980 C VAL B 98 7.423 3.002 -1.886 1.00 0.30 C ATOM 2981 O VAL B 98 7.749 2.797 -3.057 1.00 0.36 O ATOM 2982 CB VAL B 98 9.128 2.487 -0.128 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.326 1.802 1.217 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.314 2.225 -1.045 1.00 0.34 C ATOM 0 H VAL B 98 8.585 0.569 -2.089 1.00 0.33 H new ATOM 0 HA VAL B 98 7.038 1.997 -0.019 1.00 0.31 H new ATOM 0 HB VAL B 98 9.062 3.562 0.041 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.259 2.144 1.666 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.494 2.049 1.877 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.367 0.722 1.073 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.230 2.562 -0.560 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.385 1.157 -1.252 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.178 2.768 -1.980 1.00 0.34 H new ATOM 2994 N HIS B 99 6.720 4.059 -1.515 1.00 0.29 N ATOM 2995 CA HIS B 99 6.283 5.060 -2.484 1.00 0.31 C ATOM 2996 C HIS B 99 7.201 6.271 -2.475 1.00 0.30 C ATOM 2997 O HIS B 99 7.537 6.788 -1.416 1.00 0.47 O ATOM 2998 CB HIS B 99 4.855 5.513 -2.176 1.00 0.38 C ATOM 2999 CG HIS B 99 3.991 5.633 -3.390 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.083 4.666 -3.758 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.889 6.615 -4.321 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.465 5.044 -4.857 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.932 6.220 -5.220 1.00 0.81 N ATOM 0 H HIS B 99 6.438 4.249 -0.553 1.00 0.29 H new ATOM 0 HA HIS B 99 6.317 4.598 -3.471 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.399 4.805 -1.484 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.890 6.477 -1.668 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.915 3.793 -3.257 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.455 7.534 -4.349 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.702 4.483 -5.375 1.00 0.81 H new ATOM 3012 N LEU B 100 7.598 6.722 -3.652 1.00 0.31 N ATOM 3013 CA LEU B 100 8.462 7.886 -3.758 1.00 0.32 C ATOM 3014 C LEU B 100 7.619 9.137 -3.962 1.00 0.32 C ATOM 3015 O LEU B 100 7.008 9.317 -5.019 1.00 0.40 O ATOM 3016 CB LEU B 100 9.450 7.732 -4.918 1.00 0.37 C ATOM 3017 CG LEU B 100 10.558 8.786 -4.964 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.655 8.450 -3.966 1.00 0.85 C ATOM 3019 CD2 LEU B 100 11.126 8.909 -6.366 1.00 0.91 C ATOM 0 H LEU B 100 7.338 6.303 -4.545 1.00 0.31 H new ATOM 0 HA LEU B 100 9.031 7.976 -2.833 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.909 6.745 -4.856 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.895 7.768 -5.856 1.00 0.37 H new ATOM 0 HG LEU B 100 10.127 9.748 -4.688 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.435 9.210 -4.013 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.236 8.421 -2.960 1.00 0.85 H new ATOM 0 HD13 LEU B 100 12.082 7.477 -4.209 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.912 9.664 -6.375 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.540 7.950 -6.676 1.00 0.91 H new ATOM 0 HD23 LEU B 100 10.334 9.202 -7.055 1.00 0.91 H new ATOM 3031 N VAL B 101 7.573 9.984 -2.949 1.00 0.30 N ATOM 3032 CA VAL B 101 6.805 11.219 -3.015 1.00 0.32 C ATOM 3033 C VAL B 101 7.721 12.417 -2.806 1.00 0.33 C ATOM 3034 O VAL B 101 8.929 12.258 -2.627 1.00 0.38 O ATOM 3035 CB VAL B 101 5.665 11.254 -1.968 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.685 10.112 -2.207 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.227 11.207 -0.552 1.00 0.52 C ATOM 0 H VAL B 101 8.061 9.840 -2.065 1.00 0.30 H new ATOM 0 HA VAL B 101 6.352 11.264 -4.005 1.00 0.32 H new ATOM 0 HB VAL B 101 5.124 12.194 -2.080 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.891 10.152 -1.462 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.253 10.206 -3.203 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.209 9.160 -2.127 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.407 11.233 0.166 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.798 10.289 -0.418 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.878 12.066 -0.390 1.00 0.52 H new ATOM 3047 N ILE B 102 7.147 13.612 -2.828 1.00 0.36 N ATOM 3048 CA ILE B 102 7.920 14.828 -2.649 1.00 0.41 C ATOM 3049 C ILE B 102 7.267 15.739 -1.616 1.00 0.51 C ATOM 3050 O ILE B 102 6.467 16.614 -1.952 1.00 0.79 O ATOM 3051 CB ILE B 102 8.117 15.598 -3.979 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.811 15.660 -4.797 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.238 14.968 -4.790 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.623 14.527 -5.794 1.00 1.32 C ATOM 0 H ILE B 102 6.148 13.763 -2.968 1.00 0.36 H new ATOM 0 HA ILE B 102 8.904 14.525 -2.290 1.00 0.41 H new ATOM 0 HB ILE B 102 8.396 16.624 -3.737 1.00 0.52 H new ATOM 0 HG12 ILE B 102 5.967 15.660 -4.107 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.782 16.607 -5.336 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.366 15.518 -5.722 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.165 15.003 -4.218 1.00 0.76 H new ATOM 0 HG23 ILE B 102 8.988 13.931 -5.013 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.677 14.658 -6.320 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.442 14.535 -6.513 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.615 13.574 -5.265 1.00 1.32 H new ATOM 3066 N LYS B 103 7.582 15.495 -0.353 1.00 0.59 N ATOM 3067 CA LYS B 103 7.040 16.291 0.741 1.00 0.76 C ATOM 3068 C LYS B 103 8.151 16.731 1.691 1.00 0.91 C ATOM 3069 O LYS B 103 8.588 15.905 2.523 1.00 1.07 O ATOM 3070 CB LYS B 103 5.978 15.494 1.508 1.00 0.86 C ATOM 3071 CG LYS B 103 4.715 15.220 0.705 1.00 1.00 C ATOM 3072 CD LYS B 103 3.952 16.498 0.399 1.00 1.15 C ATOM 3073 CE LYS B 103 2.645 16.197 -0.314 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.906 17.431 -0.675 1.00 1.74 N ATOM 3075 OXT LYS B 103 8.578 17.900 1.606 1.00 1.20 O ATOM 0 H LYS B 103 8.213 14.749 -0.058 1.00 0.59 H new ATOM 0 HA LYS B 103 6.575 17.180 0.316 1.00 0.76 H new ATOM 0 HB2 LYS B 103 6.409 14.544 1.825 1.00 0.86 H new ATOM 0 HB3 LYS B 103 5.711 16.040 2.413 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.978 14.722 -0.228 1.00 1.00 H new ATOM 0 HG3 LYS B 103 4.072 14.537 1.260 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.749 17.035 1.326 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.566 17.152 -0.220 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.850 15.621 -1.217 1.00 1.32 H new ATOM 0 HE3 LYS B 103 2.019 15.575 0.326 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 0.964 17.178 -1.035 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.805 18.034 0.166 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 2.430 17.947 -1.410 1.00 1.74 H new