USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=38 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: B 62 SER OG : rot -55:sc= 2.15 USER MOD Set 1.2: B 69 THR OG1 : rot -41:sc= 0.574 USER MOD Set 2.1: A 88 CYS SG : rot -150:sc= 1.47 USER MOD Set 2.2: A 90 SER OG : rot 70:sc= 0.684 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+ 165:sc= 2.35 (180deg=1.82) 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 -40:sc= 0.528 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 51 GLN : amide:sc=-0.00792 K(o=-0.0079,f=-1.1!) USER MOD Single : A 52 THR OG1 : rot 50:sc= 1.1 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.799 K(o=2.1,f=-8!) USER MOD Single : A 60 CYS SG : rot -80:sc= 0.506 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 68 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.51) USER MOD Single : A 80 CYS SG : rot -59:sc= -3.53! USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.02) USER MOD Single : A 87 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.25) USER MOD Single : A 94 TYR OH : rot -151:sc= 1.07 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0791) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0.779) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0674) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 1.17 K(o=1.2,f=-4.4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 120 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.35) USER MOD Single : A 121 CYS SG : rot 46:sc= 0.658 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.659 K(o=0.66,f=-5.4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.739 K(o=0.74,f=0) 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+ 166:sc= -0.0209 (180deg=-0.223) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 170:sc= 1.71 (180deg=1.4) USER MOD Single : B 39 THR OG1 : rot 3:sc= 0.429 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= -0.733 K(o=-0.73,f=-4.3!) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.16) 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= -0.0248 USER MOD Single : B 68 GLN : amide:sc= -0.769 K(o=-0.77,f=-3.1!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -158:sc= 0.207 (180deg=-0.00698) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) 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 X(o=0,f=-0.019) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 HIS : no HD1:sc= -2.2 K(o=-1.1,f=-8.1!) USER MOD Single : B 103 LYS NZ :NH3+ -156:sc= 0.717 (180deg=0.357) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.946 21.754 7.688 1.00 0.79 N ATOM 2 CA LYS A 21 -13.974 20.699 7.529 1.00 0.63 C ATOM 3 C LYS A 21 -13.362 19.446 6.925 1.00 0.53 C ATOM 4 O LYS A 21 -12.173 19.417 6.597 1.00 0.61 O ATOM 5 CB LYS A 21 -15.117 21.193 6.636 1.00 0.62 C ATOM 6 CG LYS A 21 -14.689 21.499 5.208 1.00 0.66 C ATOM 7 CD LYS A 21 -15.846 22.012 4.365 1.00 0.77 C ATOM 8 CE LYS A 21 -16.317 23.379 4.833 1.00 0.90 C ATOM 9 NZ LYS A 21 -17.363 23.941 3.943 1.00 1.10 N ATOM 0 HA LYS A 21 -14.371 20.462 8.516 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.903 20.438 6.616 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -15.549 22.092 7.077 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.891 22.242 5.220 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -14.279 20.598 4.751 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.538 22.070 3.321 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -16.674 21.305 4.414 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.708 23.300 5.847 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -15.468 24.062 4.871 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.656 24.874 4.298 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.983 24.041 2.980 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -18.184 23.303 3.926 1.00 1.10 H new ATOM 23 N TYR A 22 -14.178 18.411 6.781 1.00 0.49 N ATOM 24 CA TYR A 22 -13.725 17.154 6.205 1.00 0.49 C ATOM 25 C TYR A 22 -14.236 17.023 4.778 1.00 0.47 C ATOM 26 O TYR A 22 -15.302 17.537 4.443 1.00 0.57 O ATOM 27 CB TYR A 22 -14.220 15.961 7.027 1.00 0.56 C ATOM 28 CG TYR A 22 -14.049 16.109 8.522 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.809 16.390 9.084 1.00 0.56 C ATOM 30 CD2 TYR A 22 -15.132 15.950 9.374 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.656 16.510 10.453 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.990 16.069 10.742 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.750 16.348 11.275 1.00 0.65 C ATOM 34 OH TYR A 22 -13.603 16.467 12.639 1.00 0.75 O ATOM 0 H TYR A 22 -15.160 18.418 7.056 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.635 17.156 6.211 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.276 15.801 6.810 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.688 15.067 6.701 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.951 16.517 8.441 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -16.104 15.729 8.959 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.686 16.729 10.875 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.845 15.944 11.390 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.469 16.326 13.075 1.00 0.75 H new ATOM 44 N LEU A 23 -13.474 16.338 3.941 1.00 0.41 N ATOM 45 CA LEU A 23 -13.866 16.126 2.554 1.00 0.43 C ATOM 46 C LEU A 23 -14.968 15.073 2.492 1.00 0.43 C ATOM 47 O LEU A 23 -15.945 15.208 1.752 1.00 0.52 O ATOM 48 CB LEU A 23 -12.658 15.683 1.729 1.00 0.45 C ATOM 49 CG LEU A 23 -11.430 16.591 1.842 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.207 15.911 1.248 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.686 17.924 1.155 1.00 0.70 C ATOM 0 H LEU A 23 -12.580 15.919 4.196 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.243 17.060 2.138 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.376 14.676 2.037 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.954 15.625 0.681 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.239 16.780 2.898 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.344 16.571 1.337 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -10.011 14.983 1.784 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.388 15.691 0.196 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.802 18.556 1.246 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.904 17.754 0.101 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.536 18.419 1.626 1.00 0.70 H new ATOM 63 N VAL A 24 -14.788 14.025 3.289 1.00 0.42 N ATOM 64 CA VAL A 24 -15.743 12.925 3.384 1.00 0.46 C ATOM 65 C VAL A 24 -15.985 12.613 4.858 1.00 0.43 C ATOM 66 O VAL A 24 -15.049 12.672 5.656 1.00 0.44 O ATOM 67 CB VAL A 24 -15.223 11.654 2.669 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.186 10.493 2.842 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.993 11.929 1.194 1.00 0.76 C ATOM 0 H VAL A 24 -13.972 13.914 3.890 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.669 13.228 2.895 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.274 11.379 3.128 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.793 9.615 2.329 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.302 10.272 3.903 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.155 10.758 2.418 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.628 11.024 0.708 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.930 12.237 0.731 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.255 12.724 1.083 1.00 0.76 H new ATOM 79 N GLU A 25 -17.226 12.312 5.223 1.00 0.45 N ATOM 80 CA GLU A 25 -17.563 12.001 6.607 1.00 0.45 C ATOM 81 C GLU A 25 -18.769 11.070 6.678 1.00 0.47 C ATOM 82 O GLU A 25 -19.814 11.349 6.091 1.00 0.55 O ATOM 83 CB GLU A 25 -17.853 13.289 7.386 1.00 0.49 C ATOM 84 CG GLU A 25 -18.744 14.271 6.637 1.00 0.56 C ATOM 85 CD GLU A 25 -19.410 15.273 7.555 1.00 0.69 C ATOM 86 OE1 GLU A 25 -20.486 14.956 8.105 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.866 16.384 7.727 1.00 0.95 O ATOM 0 H GLU A 25 -18.016 12.277 4.579 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.709 11.495 7.057 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -18.327 13.031 8.333 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.909 13.779 7.625 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -18.148 14.804 5.896 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.510 13.718 6.093 1.00 0.56 H new ATOM 94 N PHE A 26 -18.612 9.957 7.381 1.00 0.43 N ATOM 95 CA PHE A 26 -19.693 8.989 7.539 1.00 0.46 C ATOM 96 C PHE A 26 -19.426 8.092 8.739 1.00 0.45 C ATOM 97 O PHE A 26 -18.283 7.949 9.175 1.00 0.44 O ATOM 98 CB PHE A 26 -19.863 8.140 6.272 1.00 0.47 C ATOM 99 CG PHE A 26 -18.628 7.385 5.855 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.669 7.988 5.062 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.431 6.072 6.254 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.536 7.299 4.673 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.301 5.378 5.869 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.352 5.991 5.078 1.00 0.51 C ATOM 0 H PHE A 26 -17.745 9.700 7.853 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.618 9.540 7.706 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.672 7.427 6.433 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.170 8.790 5.453 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.807 9.010 4.743 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -19.170 5.586 6.873 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.795 7.782 4.053 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -17.160 4.356 6.187 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.467 5.450 4.776 1.00 0.51 H new ATOM 114 N ARG A 27 -20.482 7.497 9.270 1.00 0.47 N ATOM 115 CA ARG A 27 -20.361 6.609 10.415 1.00 0.47 C ATOM 116 C ARG A 27 -19.983 5.210 9.952 1.00 0.45 C ATOM 117 O ARG A 27 -20.653 4.629 9.094 1.00 0.46 O ATOM 118 CB ARG A 27 -21.671 6.571 11.201 1.00 0.51 C ATOM 119 CG ARG A 27 -21.974 7.864 11.937 1.00 0.55 C ATOM 120 CD ARG A 27 -23.469 8.056 12.139 1.00 0.61 C ATOM 121 NE ARG A 27 -24.163 8.327 10.878 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.309 8.997 10.779 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.906 9.477 11.864 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.861 9.192 9.589 1.00 0.77 N ATOM 0 H ARG A 27 -21.435 7.613 8.925 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.576 6.988 11.070 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.490 6.352 10.516 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.630 5.754 11.921 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.473 7.858 12.905 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.571 8.706 11.375 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.890 7.162 12.600 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.638 8.881 12.831 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.740 7.979 10.018 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.487 9.333 12.783 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.784 9.989 11.779 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.407 8.829 8.751 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.739 9.705 9.512 1.00 0.77 H new ATOM 138 N ALA A 28 -18.906 4.676 10.511 1.00 0.44 N ATOM 139 CA ALA A 28 -18.435 3.347 10.154 1.00 0.43 C ATOM 140 C ALA A 28 -17.640 2.738 11.296 1.00 0.42 C ATOM 141 O ALA A 28 -16.950 3.447 12.034 1.00 0.44 O ATOM 142 CB ALA A 28 -17.588 3.395 8.890 1.00 0.42 C ATOM 0 H ALA A 28 -18.340 5.146 11.217 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.306 2.720 9.962 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.247 2.390 8.642 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.184 3.789 8.067 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.725 4.041 9.054 1.00 0.42 H new ATOM 148 N GLY A 29 -17.746 1.428 11.440 1.00 0.43 N ATOM 149 CA GLY A 29 -17.040 0.741 12.497 1.00 0.43 C ATOM 150 C GLY A 29 -15.715 0.176 12.034 1.00 0.41 C ATOM 151 O GLY A 29 -15.564 -0.196 10.869 1.00 0.46 O ATOM 0 H GLY A 29 -18.311 0.826 10.841 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.869 1.431 13.324 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.663 -0.068 12.880 1.00 0.43 H new ATOM 155 N LYS A 30 -14.757 0.101 12.946 1.00 0.42 N ATOM 156 CA LYS A 30 -13.433 -0.414 12.623 1.00 0.42 C ATOM 157 C LYS A 30 -13.292 -1.856 13.093 1.00 0.41 C ATOM 158 O LYS A 30 -14.128 -2.361 13.842 1.00 0.45 O ATOM 159 CB LYS A 30 -12.350 0.457 13.271 1.00 0.48 C ATOM 160 CG LYS A 30 -12.409 0.482 14.793 1.00 0.54 C ATOM 161 CD LYS A 30 -11.342 1.389 15.384 1.00 0.67 C ATOM 162 CE LYS A 30 -9.980 0.716 15.440 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.981 1.550 16.162 1.00 0.60 N ATOM 0 H LYS A 30 -14.871 0.391 13.917 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.308 -0.385 11.541 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.371 0.093 12.961 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.445 1.476 12.896 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.394 0.823 15.113 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.281 -0.529 15.178 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.271 2.299 14.788 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.639 1.688 16.389 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.072 -0.251 15.935 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.628 0.523 14.427 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.153 0.969 16.403 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.685 2.340 15.555 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.407 1.924 17.034 1.00 0.60 H new ATOM 177 N MET A 31 -12.235 -2.517 12.644 1.00 0.43 N ATOM 178 CA MET A 31 -11.977 -3.894 13.030 1.00 0.44 C ATOM 179 C MET A 31 -10.582 -4.016 13.621 1.00 0.46 C ATOM 180 O MET A 31 -9.657 -3.328 13.191 1.00 0.55 O ATOM 181 CB MET A 31 -12.130 -4.840 11.833 1.00 0.46 C ATOM 182 CG MET A 31 -13.518 -4.818 11.211 1.00 0.47 C ATOM 183 SD MET A 31 -13.978 -6.393 10.470 1.00 0.54 S ATOM 184 CE MET A 31 -15.570 -5.979 9.764 1.00 0.61 C ATOM 0 H MET A 31 -11.541 -2.120 12.010 1.00 0.43 H new ATOM 0 HA MET A 31 -12.711 -4.181 13.783 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.396 -4.572 11.073 1.00 0.46 H new ATOM 0 HB3 MET A 31 -11.901 -5.857 12.153 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.249 -4.554 11.975 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.557 -4.039 10.450 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.987 -6.855 9.267 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.246 -5.655 10.555 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.448 -5.174 9.039 1.00 0.61 H new ATOM 194 N SER A 32 -10.442 -4.878 14.610 1.00 0.49 N ATOM 195 CA SER A 32 -9.163 -5.084 15.268 1.00 0.52 C ATOM 196 C SER A 32 -8.681 -6.518 15.084 1.00 0.52 C ATOM 197 O SER A 32 -9.463 -7.465 15.197 1.00 0.54 O ATOM 198 CB SER A 32 -9.291 -4.751 16.757 1.00 0.59 C ATOM 199 OG SER A 32 -10.644 -4.836 17.185 1.00 0.93 O ATOM 0 H SER A 32 -11.202 -5.450 14.978 1.00 0.49 H new ATOM 0 HA SER A 32 -8.426 -4.422 14.814 1.00 0.52 H new ATOM 0 HB2 SER A 32 -8.678 -5.438 17.341 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.910 -3.747 16.943 1.00 0.59 H new ATOM 0 HG SER A 32 -10.699 -4.621 18.139 1.00 0.93 H new ATOM 205 N LEU A 33 -7.402 -6.675 14.792 1.00 0.54 N ATOM 206 CA LEU A 33 -6.818 -7.992 14.592 1.00 0.56 C ATOM 207 C LEU A 33 -6.216 -8.509 15.895 1.00 0.58 C ATOM 208 O LEU A 33 -5.110 -8.122 16.275 1.00 0.63 O ATOM 209 CB LEU A 33 -5.747 -7.939 13.499 1.00 0.58 C ATOM 210 CG LEU A 33 -5.018 -9.259 13.230 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.942 -10.252 12.541 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.774 -9.017 12.388 1.00 0.67 C ATOM 0 H LEU A 33 -6.744 -5.903 14.687 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.606 -8.676 14.276 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.214 -7.606 12.572 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.009 -7.185 13.773 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.712 -9.683 14.186 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.405 -11.183 12.359 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.804 -10.449 13.178 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.280 -9.836 11.592 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.268 -9.965 12.206 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.060 -8.570 11.436 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.102 -8.342 12.918 1.00 0.67 H new ATOM 224 N LYS A 34 -6.948 -9.371 16.581 1.00 0.59 N ATOM 225 CA LYS A 34 -6.479 -9.935 17.839 1.00 0.63 C ATOM 226 C LYS A 34 -5.714 -11.227 17.583 1.00 0.65 C ATOM 227 O LYS A 34 -6.315 -12.291 17.413 1.00 0.68 O ATOM 228 CB LYS A 34 -7.651 -10.199 18.787 1.00 0.66 C ATOM 229 CG LYS A 34 -8.431 -8.950 19.166 1.00 0.68 C ATOM 230 CD LYS A 34 -9.366 -9.213 20.337 1.00 0.76 C ATOM 231 CE LYS A 34 -10.261 -8.017 20.624 1.00 0.84 C ATOM 232 NZ LYS A 34 -10.993 -8.171 21.909 1.00 1.01 N ATOM 0 H LYS A 34 -7.870 -9.696 16.289 1.00 0.59 H new ATOM 0 HA LYS A 34 -5.811 -9.213 18.309 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.330 -10.912 18.319 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.272 -10.668 19.695 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -7.737 -8.151 19.425 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.008 -8.605 18.308 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -9.983 -10.085 20.121 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -8.779 -9.450 21.225 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.657 -7.110 20.656 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -10.976 -7.895 19.811 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -11.592 -7.336 22.069 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -11.589 -9.022 21.869 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.311 -8.262 22.688 1.00 1.01 H new ATOM 246 N GLY A 35 -4.392 -11.119 17.530 1.00 0.66 N ATOM 247 CA GLY A 35 -3.554 -12.282 17.297 1.00 0.70 C ATOM 248 C GLY A 35 -3.590 -12.747 15.856 1.00 0.70 C ATOM 249 O GLY A 35 -2.626 -12.573 15.109 1.00 0.75 O ATOM 0 H GLY A 35 -3.883 -10.243 17.645 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.526 -12.046 17.573 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -3.879 -13.095 17.946 1.00 0.70 H new ATOM 253 N THR A 36 -4.701 -13.352 15.470 1.00 0.68 N ATOM 254 CA THR A 36 -4.875 -13.846 14.118 1.00 0.70 C ATOM 255 C THR A 36 -6.358 -13.854 13.742 1.00 0.68 C ATOM 256 O THR A 36 -6.754 -14.423 12.722 1.00 0.72 O ATOM 257 CB THR A 36 -4.271 -15.263 13.966 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.258 -15.663 12.589 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.041 -16.287 14.792 1.00 0.77 C ATOM 0 H THR A 36 -5.501 -13.513 16.081 1.00 0.68 H new ATOM 0 HA THR A 36 -4.346 -13.177 13.439 1.00 0.70 H new ATOM 0 HB THR A 36 -3.247 -15.222 14.336 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.087 -15.371 12.156 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.591 -17.271 14.663 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.005 -16.007 15.845 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.079 -16.316 14.460 1.00 0.77 H new ATOM 267 N THR A 37 -7.170 -13.196 14.561 1.00 0.66 N ATOM 268 CA THR A 37 -8.605 -13.137 14.325 1.00 0.66 C ATOM 269 C THR A 37 -9.082 -11.691 14.174 1.00 0.61 C ATOM 270 O THR A 37 -8.798 -10.844 15.026 1.00 0.61 O ATOM 271 CB THR A 37 -9.373 -13.803 15.482 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.642 -14.941 15.959 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.764 -14.237 15.040 1.00 0.81 C ATOM 0 H THR A 37 -6.858 -12.696 15.394 1.00 0.66 H new ATOM 0 HA THR A 37 -8.805 -13.674 13.398 1.00 0.66 H new ATOM 0 HB THR A 37 -9.480 -13.072 16.284 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.134 -15.360 16.696 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.283 -14.704 15.877 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.327 -13.366 14.704 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.679 -14.952 14.222 1.00 0.81 H new ATOM 281 N VAL A 38 -9.797 -11.414 13.092 1.00 0.60 N ATOM 282 CA VAL A 38 -10.321 -10.077 12.843 1.00 0.57 C ATOM 283 C VAL A 38 -11.629 -9.880 13.599 1.00 0.57 C ATOM 284 O VAL A 38 -12.662 -10.449 13.239 1.00 0.64 O ATOM 285 CB VAL A 38 -10.553 -9.820 11.339 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.901 -8.361 11.087 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.332 -10.222 10.526 1.00 0.61 C ATOM 0 H VAL A 38 -10.028 -12.098 12.371 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.576 -9.364 13.196 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.395 -10.434 11.020 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.060 -8.204 10.020 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.810 -8.105 11.631 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.083 -7.727 11.429 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.520 -10.032 9.469 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.470 -9.640 10.852 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.130 -11.283 10.673 1.00 0.61 H new ATOM 297 N THR A 39 -11.575 -9.087 14.652 1.00 0.56 N ATOM 298 CA THR A 39 -12.742 -8.828 15.478 1.00 0.58 C ATOM 299 C THR A 39 -13.224 -7.387 15.321 1.00 0.55 C ATOM 300 O THR A 39 -12.510 -6.445 15.675 1.00 0.55 O ATOM 301 CB THR A 39 -12.418 -9.101 16.956 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.282 -9.975 17.040 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.610 -9.733 17.664 1.00 0.74 C ATOM 0 H THR A 39 -10.729 -8.607 14.959 1.00 0.56 H new ATOM 0 HA THR A 39 -13.537 -9.497 15.148 1.00 0.58 H new ATOM 0 HB THR A 39 -12.192 -8.154 17.446 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.072 -10.149 17.981 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.357 -9.917 18.708 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.464 -9.058 17.611 1.00 0.74 H new ATOM 0 HG23 THR A 39 -13.862 -10.677 17.180 1.00 0.74 H new ATOM 311 N PRO A 40 -14.427 -7.197 14.751 1.00 0.55 N ATOM 312 CA PRO A 40 -15.015 -5.867 14.561 1.00 0.54 C ATOM 313 C PRO A 40 -15.291 -5.179 15.894 1.00 0.56 C ATOM 314 O PRO A 40 -15.737 -5.820 16.850 1.00 0.63 O ATOM 315 CB PRO A 40 -16.332 -6.148 13.823 1.00 0.56 C ATOM 316 CG PRO A 40 -16.208 -7.530 13.289 1.00 0.65 C ATOM 317 CD PRO A 40 -15.301 -8.263 14.234 1.00 0.58 C ATOM 0 HA PRO A 40 -14.349 -5.199 14.015 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.184 -6.064 14.497 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.491 -5.430 13.018 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.183 -8.014 13.231 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.795 -7.522 12.280 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.860 -8.750 15.033 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.731 -9.040 13.725 1.00 0.58 H new ATOM 325 N ASP A 41 -15.019 -3.881 15.958 1.00 0.53 N ATOM 326 CA ASP A 41 -15.237 -3.109 17.174 1.00 0.56 C ATOM 327 C ASP A 41 -16.729 -2.863 17.379 1.00 0.58 C ATOM 328 O ASP A 41 -17.488 -2.753 16.411 1.00 0.66 O ATOM 329 CB ASP A 41 -14.480 -1.779 17.106 1.00 0.57 C ATOM 330 CG ASP A 41 -14.065 -1.279 18.474 1.00 0.61 C ATOM 331 OD1 ASP A 41 -14.951 -0.964 19.293 1.00 0.64 O ATOM 332 OD2 ASP A 41 -12.842 -1.194 18.737 1.00 0.68 O ATOM 0 H ASP A 41 -14.646 -3.340 15.178 1.00 0.53 H new ATOM 0 HA ASP A 41 -14.857 -3.678 18.022 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.594 -1.900 16.483 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.109 -1.030 16.624 1.00 0.57 H new ATOM 337 N LYS A 42 -17.150 -2.770 18.633 1.00 0.61 N ATOM 338 CA LYS A 42 -18.557 -2.568 18.954 1.00 0.64 C ATOM 339 C LYS A 42 -18.834 -1.123 19.350 1.00 0.64 C ATOM 340 O LYS A 42 -19.784 -0.839 20.084 1.00 0.76 O ATOM 341 CB LYS A 42 -18.979 -3.515 20.080 1.00 0.71 C ATOM 342 CG LYS A 42 -18.889 -4.986 19.701 1.00 0.72 C ATOM 343 CD LYS A 42 -19.226 -5.890 20.875 1.00 0.84 C ATOM 344 CE LYS A 42 -18.098 -5.923 21.892 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.475 -6.678 23.117 1.00 1.08 N ATOM 0 H LYS A 42 -16.537 -2.831 19.446 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.142 -2.788 18.061 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.350 -3.333 20.952 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.004 -3.285 20.373 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.571 -5.192 18.876 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -17.883 -5.210 19.346 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.140 -5.540 21.355 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -19.422 -6.900 20.514 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -17.217 -6.380 21.441 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -17.825 -4.903 22.164 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -17.678 -6.676 23.785 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -19.300 -6.228 23.562 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.711 -7.658 22.862 1.00 1.08 H new ATOM 359 N ARG A 43 -18.005 -0.213 18.869 1.00 0.58 N ATOM 360 CA ARG A 43 -18.165 1.203 19.171 1.00 0.58 C ATOM 361 C ARG A 43 -18.678 1.971 17.965 1.00 0.55 C ATOM 362 O ARG A 43 -18.579 1.508 16.825 1.00 0.55 O ATOM 363 CB ARG A 43 -16.833 1.811 19.608 1.00 0.58 C ATOM 364 CG ARG A 43 -16.456 1.511 21.045 1.00 0.60 C ATOM 365 CD ARG A 43 -15.051 1.998 21.341 1.00 0.60 C ATOM 366 NE ARG A 43 -14.074 1.402 20.432 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.060 2.068 19.876 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.885 3.363 20.119 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.229 1.437 19.061 1.00 0.57 N ATOM 0 H ARG A 43 -17.211 -0.428 18.266 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.892 1.281 19.979 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.045 1.441 18.952 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.878 2.892 19.474 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.163 1.992 21.720 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.521 0.438 21.227 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.015 3.084 21.254 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.789 1.752 22.370 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.174 0.412 20.208 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.529 3.858 20.736 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.106 3.862 19.689 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.365 0.446 18.861 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.452 1.942 18.634 1.00 0.57 H new ATOM 383 N LYS A 44 -19.241 3.134 18.229 1.00 0.57 N ATOM 384 CA LYS A 44 -19.736 4.004 17.179 1.00 0.56 C ATOM 385 C LYS A 44 -18.585 4.883 16.716 1.00 0.53 C ATOM 386 O LYS A 44 -17.995 5.606 17.520 1.00 0.59 O ATOM 387 CB LYS A 44 -20.895 4.862 17.696 1.00 0.62 C ATOM 388 CG LYS A 44 -22.091 4.047 18.168 1.00 0.70 C ATOM 389 CD LYS A 44 -23.118 4.911 18.886 1.00 0.79 C ATOM 390 CE LYS A 44 -24.224 4.065 19.489 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.159 4.869 20.320 1.00 1.07 N ATOM 0 H LYS A 44 -19.368 3.501 19.172 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.112 3.411 16.345 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.539 5.481 18.520 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.216 5.539 16.905 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.560 3.561 17.312 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.751 3.256 18.837 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.628 5.486 19.671 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.546 5.628 18.186 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.781 3.575 18.690 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.784 3.277 20.100 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -25.897 4.249 20.711 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.634 5.316 21.099 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.600 5.605 19.733 1.00 1.07 H new ATOM 405 N GLY A 45 -18.252 4.815 15.438 1.00 0.52 N ATOM 406 CA GLY A 45 -17.138 5.595 14.946 1.00 0.51 C ATOM 407 C GLY A 45 -17.479 6.467 13.764 1.00 0.48 C ATOM 408 O GLY A 45 -18.453 6.223 13.051 1.00 0.50 O ATOM 0 H GLY A 45 -18.726 4.242 14.740 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.763 6.224 15.753 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.330 4.920 14.666 1.00 0.51 H new ATOM 412 N LEU A 46 -16.671 7.493 13.572 1.00 0.46 N ATOM 413 CA LEU A 46 -16.852 8.419 12.473 1.00 0.45 C ATOM 414 C LEU A 46 -15.604 8.420 11.598 1.00 0.41 C ATOM 415 O LEU A 46 -14.506 8.726 12.068 1.00 0.42 O ATOM 416 CB LEU A 46 -17.129 9.831 12.999 1.00 0.47 C ATOM 417 CG LEU A 46 -17.424 10.879 11.926 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.796 10.651 11.317 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.330 12.276 12.513 1.00 0.59 C ATOM 0 H LEU A 46 -15.874 7.706 14.172 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.709 8.101 11.880 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.976 9.787 13.684 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.267 10.161 13.579 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.679 10.782 11.136 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.986 11.407 10.556 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.832 9.661 10.862 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.556 10.720 12.096 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.542 13.012 11.737 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -18.054 12.381 13.321 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.325 12.440 12.903 1.00 0.59 H new ATOM 431 N VAL A 47 -15.771 8.043 10.342 1.00 0.40 N ATOM 432 CA VAL A 47 -14.665 8.009 9.400 1.00 0.39 C ATOM 433 C VAL A 47 -14.681 9.265 8.548 1.00 0.37 C ATOM 434 O VAL A 47 -15.704 9.595 7.944 1.00 0.40 O ATOM 435 CB VAL A 47 -14.735 6.767 8.486 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.653 6.815 7.420 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.615 5.496 9.308 1.00 0.43 C ATOM 0 H VAL A 47 -16.667 7.755 9.949 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.739 7.956 9.973 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.703 6.768 7.986 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.724 5.929 6.789 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.784 7.707 6.808 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.673 6.843 7.897 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.666 4.630 8.648 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.662 5.493 9.837 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.431 5.451 10.030 1.00 0.43 H new ATOM 447 N TYR A 48 -13.569 9.979 8.512 1.00 0.37 N ATOM 448 CA TYR A 48 -13.498 11.195 7.728 1.00 0.37 C ATOM 449 C TYR A 48 -12.147 11.349 7.043 1.00 0.34 C ATOM 450 O TYR A 48 -11.145 10.775 7.470 1.00 0.36 O ATOM 451 CB TYR A 48 -13.799 12.425 8.601 1.00 0.43 C ATOM 452 CG TYR A 48 -12.845 12.646 9.759 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.559 13.123 9.544 1.00 0.46 C ATOM 454 CD2 TYR A 48 -13.241 12.396 11.065 1.00 0.63 C ATOM 455 CE1 TYR A 48 -10.695 13.345 10.598 1.00 0.54 C ATOM 456 CE2 TYR A 48 -12.383 12.614 12.123 1.00 0.73 C ATOM 457 CZ TYR A 48 -11.110 13.087 11.885 1.00 0.64 C ATOM 458 OH TYR A 48 -10.252 13.316 12.938 1.00 0.78 O ATOM 0 H TYR A 48 -12.713 9.739 9.012 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.257 11.122 6.949 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.787 13.312 7.967 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.810 12.330 8.997 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -11.229 13.324 8.535 1.00 0.46 H new ATOM 0 HD2 TYR A 48 -14.237 12.025 11.256 1.00 0.63 H new ATOM 0 HE1 TYR A 48 -9.699 13.719 10.414 1.00 0.54 H new ATOM 0 HE2 TYR A 48 -12.707 12.415 13.134 1.00 0.73 H new ATOM 0 HH TYR A 48 -10.698 13.084 13.779 1.00 0.78 H new ATOM 468 N ILE A 49 -12.143 12.127 5.969 1.00 0.33 N ATOM 469 CA ILE A 49 -10.932 12.404 5.211 1.00 0.32 C ATOM 470 C ILE A 49 -10.631 13.895 5.291 1.00 0.30 C ATOM 471 O ILE A 49 -11.468 14.719 4.917 1.00 0.35 O ATOM 472 CB ILE A 49 -11.079 11.986 3.730 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.448 10.502 3.632 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.792 12.267 2.967 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.731 10.037 2.219 1.00 0.69 C ATOM 0 H ILE A 49 -12.978 12.583 5.600 1.00 0.33 H new ATOM 0 HA ILE A 49 -10.116 11.824 5.641 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.880 12.573 3.280 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.634 9.906 4.045 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.326 10.313 4.250 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.913 11.967 1.926 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.567 13.332 3.013 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.973 11.703 3.414 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.985 8.977 2.229 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.565 10.606 1.809 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.847 10.193 1.601 1.00 0.69 H new ATOM 487 N GLN A 50 -9.452 14.241 5.789 1.00 0.30 N ATOM 488 CA GLN A 50 -9.078 15.643 5.936 1.00 0.33 C ATOM 489 C GLN A 50 -7.717 15.931 5.305 1.00 0.30 C ATOM 490 O GLN A 50 -6.812 15.099 5.345 1.00 0.36 O ATOM 491 CB GLN A 50 -9.053 16.020 7.424 1.00 0.42 C ATOM 492 CG GLN A 50 -8.808 17.499 7.677 1.00 0.51 C ATOM 493 CD GLN A 50 -8.705 17.837 9.152 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.268 17.020 9.967 1.00 0.82 O ATOM 495 NE2 GLN A 50 -9.110 19.048 9.509 1.00 0.86 N ATOM 0 H GLN A 50 -8.742 13.577 6.096 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.822 16.246 5.415 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -10.002 15.736 7.878 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.275 15.442 7.923 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.889 17.801 7.175 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.618 18.077 7.233 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.465 19.695 8.805 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -9.066 19.333 10.488 1.00 0.86 H new ATOM 504 N GLN A 51 -7.589 17.116 4.719 1.00 0.37 N ATOM 505 CA GLN A 51 -6.343 17.543 4.096 1.00 0.37 C ATOM 506 C GLN A 51 -5.848 18.803 4.800 1.00 0.39 C ATOM 507 O GLN A 51 -6.571 19.796 4.881 1.00 0.51 O ATOM 508 CB GLN A 51 -6.551 17.818 2.602 1.00 0.44 C ATOM 509 CG GLN A 51 -5.262 18.126 1.853 1.00 0.52 C ATOM 510 CD GLN A 51 -5.517 18.678 0.465 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.518 19.356 0.230 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.626 18.385 -0.468 1.00 0.93 N ATOM 0 H GLN A 51 -8.341 17.803 4.663 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.601 16.750 4.191 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.029 16.951 2.145 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.237 18.657 2.488 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.676 18.845 2.425 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.664 17.218 1.776 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.809 17.820 -0.234 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.756 18.724 -1.421 1.00 0.93 H new ATOM 521 N THR A 52 -4.627 18.765 5.314 1.00 0.38 N ATOM 522 CA THR A 52 -4.076 19.904 6.035 1.00 0.45 C ATOM 523 C THR A 52 -3.077 20.698 5.184 1.00 0.36 C ATOM 524 O THR A 52 -3.009 20.520 3.965 1.00 0.33 O ATOM 525 CB THR A 52 -3.405 19.434 7.339 1.00 0.59 C ATOM 526 OG1 THR A 52 -3.077 18.037 7.250 1.00 0.65 O ATOM 527 CG2 THR A 52 -4.330 19.665 8.524 1.00 0.80 C ATOM 0 H THR A 52 -4.001 17.962 5.246 1.00 0.38 H new ATOM 0 HA THR A 52 -4.905 20.570 6.273 1.00 0.45 H new ATOM 0 HB THR A 52 -2.491 20.010 7.484 1.00 0.59 H new ATOM 0 HG1 THR A 52 -2.591 17.868 6.416 1.00 0.65 H new ATOM 0 HG21 THR A 52 -3.841 19.328 9.438 1.00 0.80 H new ATOM 0 HG22 THR A 52 -4.558 20.728 8.606 1.00 0.80 H new ATOM 0 HG23 THR A 52 -5.254 19.105 8.379 1.00 0.80 H new ATOM 535 N ASP A 53 -2.307 21.578 5.835 1.00 0.40 N ATOM 536 CA ASP A 53 -1.313 22.410 5.150 1.00 0.41 C ATOM 537 C ASP A 53 -0.176 21.561 4.610 1.00 0.39 C ATOM 538 O ASP A 53 0.531 21.961 3.683 1.00 0.52 O ATOM 539 CB ASP A 53 -0.756 23.479 6.092 1.00 0.52 C ATOM 540 CG ASP A 53 0.157 22.914 7.166 1.00 0.62 C ATOM 541 OD1 ASP A 53 -0.333 22.141 8.022 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.361 23.245 7.165 1.00 0.74 O ATOM 0 H ASP A 53 -2.355 21.732 6.842 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.812 22.901 4.315 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.206 24.217 5.508 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.585 24.002 6.568 1.00 0.52 H new ATOM 547 N ASP A 54 -0.022 20.378 5.188 1.00 0.42 N ATOM 548 CA ASP A 54 1.012 19.436 4.773 1.00 0.55 C ATOM 549 C ASP A 54 0.720 18.920 3.368 1.00 0.45 C ATOM 550 O ASP A 54 1.576 18.294 2.737 1.00 0.52 O ATOM 551 CB ASP A 54 1.114 18.264 5.764 1.00 0.73 C ATOM 552 CG ASP A 54 -0.186 17.492 5.941 1.00 0.74 C ATOM 553 OD1 ASP A 54 -1.226 17.909 5.387 1.00 0.65 O ATOM 554 OD2 ASP A 54 -0.178 16.465 6.656 1.00 1.10 O ATOM 0 H ASP A 54 -0.606 20.044 5.954 1.00 0.42 H new ATOM 0 HA ASP A 54 1.969 19.958 4.765 1.00 0.55 H new ATOM 0 HB2 ASP A 54 1.889 17.578 5.422 1.00 0.73 H new ATOM 0 HB3 ASP A 54 1.433 18.647 6.733 1.00 0.73 H new ATOM 559 N SER A 55 -0.502 19.198 2.899 1.00 0.36 N ATOM 560 CA SER A 55 -0.959 18.795 1.574 1.00 0.40 C ATOM 561 C SER A 55 -1.025 17.277 1.470 1.00 0.37 C ATOM 562 O SER A 55 -0.896 16.705 0.386 1.00 0.52 O ATOM 563 CB SER A 55 -0.050 19.383 0.497 1.00 0.57 C ATOM 564 OG SER A 55 0.101 20.782 0.685 1.00 0.66 O ATOM 0 H SER A 55 -1.202 19.712 3.435 1.00 0.36 H new ATOM 0 HA SER A 55 -1.965 19.185 1.417 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.926 18.898 0.531 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.470 19.186 -0.489 1.00 0.57 H new ATOM 0 HG SER A 55 0.687 21.144 -0.012 1.00 0.66 H new ATOM 570 N LEU A 56 -1.233 16.645 2.616 1.00 0.28 N ATOM 571 CA LEU A 56 -1.324 15.200 2.691 1.00 0.31 C ATOM 572 C LEU A 56 -2.727 14.788 3.118 1.00 0.27 C ATOM 573 O LEU A 56 -3.325 15.411 4.000 1.00 0.30 O ATOM 574 CB LEU A 56 -0.294 14.652 3.684 1.00 0.38 C ATOM 575 CG LEU A 56 1.163 15.032 3.403 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.057 14.613 4.561 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.639 14.391 2.110 1.00 0.48 C ATOM 0 H LEU A 56 -1.342 17.119 3.513 1.00 0.28 H new ATOM 0 HA LEU A 56 -1.115 14.785 1.705 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.556 15.002 4.682 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.371 13.565 3.697 1.00 0.38 H new ATOM 0 HG LEU A 56 1.221 16.115 3.296 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.088 14.891 4.344 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.731 15.114 5.472 1.00 0.49 H new ATOM 0 HD13 LEU A 56 1.993 13.533 4.698 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.676 14.671 1.925 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.565 13.307 2.193 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.017 14.735 1.283 1.00 0.48 H new ATOM 589 N ILE A 57 -3.253 13.753 2.485 1.00 0.27 N ATOM 590 CA ILE A 57 -4.581 13.253 2.806 1.00 0.26 C ATOM 591 C ILE A 57 -4.538 12.425 4.084 1.00 0.24 C ATOM 592 O ILE A 57 -3.822 11.426 4.163 1.00 0.29 O ATOM 593 CB ILE A 57 -5.147 12.394 1.659 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.395 13.256 0.416 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.426 11.692 2.087 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.467 14.312 0.596 1.00 0.57 C ATOM 0 H ILE A 57 -2.779 13.240 1.742 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.233 14.114 2.949 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.410 11.631 1.410 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.462 13.745 0.135 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.676 12.606 -0.413 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.806 11.092 1.260 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.218 11.045 2.939 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -7.172 12.435 2.369 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.580 14.877 -0.329 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.413 13.831 0.845 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -6.180 14.988 1.401 1.00 0.57 H new ATOM 608 N HIS A 58 -5.299 12.844 5.083 1.00 0.25 N ATOM 609 CA HIS A 58 -5.331 12.142 6.356 1.00 0.27 C ATOM 610 C HIS A 58 -6.626 11.359 6.530 1.00 0.27 C ATOM 611 O HIS A 58 -7.720 11.928 6.524 1.00 0.33 O ATOM 612 CB HIS A 58 -5.162 13.118 7.524 1.00 0.32 C ATOM 613 CG HIS A 58 -3.753 13.584 7.715 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.913 13.077 8.687 1.00 0.51 N ATOM 615 CD2 HIS A 58 -3.037 14.519 7.052 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.740 13.683 8.608 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.795 14.563 7.623 1.00 0.59 N ATOM 0 H HIS A 58 -5.902 13.665 5.037 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.498 11.439 6.354 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.803 13.984 7.359 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.505 12.638 8.441 1.00 0.32 H new ATOM 0 HD2 HIS A 58 -3.382 15.121 6.224 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.885 13.492 9.239 1.00 0.61 H new ATOM 0 HE2 HIS A 58 -1.033 15.177 7.335 1.00 0.59 H new ATOM 626 N PHE A 59 -6.481 10.055 6.669 1.00 0.27 N ATOM 627 CA PHE A 59 -7.602 9.159 6.888 1.00 0.28 C ATOM 628 C PHE A 59 -7.613 8.792 8.365 1.00 0.31 C ATOM 629 O PHE A 59 -6.773 8.013 8.822 1.00 0.36 O ATOM 630 CB PHE A 59 -7.456 7.905 6.017 1.00 0.31 C ATOM 631 CG PHE A 59 -8.611 6.949 6.112 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.770 7.171 5.389 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.532 5.828 6.920 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.830 6.289 5.472 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.588 4.942 7.005 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.738 5.172 6.281 1.00 0.94 C ATOM 0 H PHE A 59 -5.577 9.584 6.633 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.540 9.641 6.613 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.337 8.211 4.978 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.543 7.383 6.302 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.846 8.041 4.754 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -7.634 5.644 7.491 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.731 6.472 4.905 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -9.513 4.070 7.638 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.565 4.481 6.346 1.00 0.94 H new ATOM 646 N CYS A 60 -8.542 9.360 9.117 1.00 0.33 N ATOM 647 CA CYS A 60 -8.589 9.114 10.549 1.00 0.38 C ATOM 648 C CYS A 60 -9.927 8.538 11.007 1.00 0.38 C ATOM 649 O CYS A 60 -10.969 8.777 10.392 1.00 0.40 O ATOM 650 CB CYS A 60 -8.304 10.418 11.304 1.00 0.43 C ATOM 651 SG CYS A 60 -7.094 11.503 10.498 1.00 0.46 S ATOM 0 H CYS A 60 -9.265 9.987 8.765 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.826 8.369 10.773 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.239 10.965 11.426 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.945 10.174 12.304 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.892 11.079 10.754 1.00 0.46 H new ATOM 657 N TRP A 61 -9.871 7.766 12.088 1.00 0.39 N ATOM 658 CA TRP A 61 -11.055 7.166 12.689 1.00 0.39 C ATOM 659 C TRP A 61 -11.287 7.816 14.045 1.00 0.42 C ATOM 660 O TRP A 61 -10.420 7.763 14.923 1.00 0.45 O ATOM 661 CB TRP A 61 -10.883 5.652 12.849 1.00 0.40 C ATOM 662 CG TRP A 61 -12.156 4.938 13.208 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.078 4.419 12.344 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.653 4.668 14.526 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.114 3.844 13.043 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.875 3.984 14.383 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.182 4.939 15.815 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.628 3.566 15.481 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.932 4.525 16.901 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.141 3.846 16.727 1.00 0.52 C ATOM 0 H TRP A 61 -9.002 7.539 12.572 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.915 7.332 12.040 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.494 5.238 11.919 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.137 5.459 13.620 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.004 4.455 11.267 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.927 3.388 12.630 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.249 5.463 15.960 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.562 3.040 15.351 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.577 4.730 17.900 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.703 3.536 17.596 1.00 0.52 H new ATOM 681 N LYS A 62 -12.442 8.433 14.218 1.00 0.46 N ATOM 682 CA LYS A 62 -12.748 9.124 15.458 1.00 0.50 C ATOM 683 C LYS A 62 -13.792 8.382 16.291 1.00 0.51 C ATOM 684 O LYS A 62 -14.834 7.970 15.776 1.00 0.51 O ATOM 685 CB LYS A 62 -13.241 10.537 15.138 1.00 0.57 C ATOM 686 CG LYS A 62 -13.492 11.407 16.360 1.00 0.63 C ATOM 687 CD LYS A 62 -14.057 12.760 15.959 1.00 0.75 C ATOM 688 CE LYS A 62 -14.275 13.661 17.167 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.807 14.997 16.784 1.00 1.04 N ATOM 0 H LYS A 62 -13.182 8.470 13.517 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.835 9.168 16.053 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.506 11.030 14.501 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -14.164 10.465 14.563 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.187 10.904 17.033 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.561 11.546 16.909 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -13.376 13.246 15.261 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -15.002 12.619 15.435 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.969 13.180 17.856 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.332 13.786 17.699 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.940 15.576 17.638 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -14.134 15.469 16.147 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -15.720 14.881 16.299 1.00 1.04 H new ATOM 703 N ASP A 63 -13.492 8.210 17.575 1.00 0.53 N ATOM 704 CA ASP A 63 -14.410 7.565 18.510 1.00 0.55 C ATOM 705 C ASP A 63 -15.538 8.547 18.812 1.00 0.57 C ATOM 706 O ASP A 63 -15.279 9.680 19.215 1.00 0.62 O ATOM 707 CB ASP A 63 -13.661 7.173 19.792 1.00 0.61 C ATOM 708 CG ASP A 63 -14.552 6.547 20.852 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.284 7.292 21.530 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.502 5.311 21.035 1.00 1.09 O ATOM 0 H ASP A 63 -12.613 8.511 17.995 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.824 6.654 18.079 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.866 6.472 19.538 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.183 8.060 20.209 1.00 0.61 H new ATOM 715 N ARG A 64 -16.781 8.126 18.617 1.00 0.58 N ATOM 716 CA ARG A 64 -17.924 9.019 18.808 1.00 0.61 C ATOM 717 C ARG A 64 -18.310 9.238 20.272 1.00 0.66 C ATOM 718 O ARG A 64 -19.154 10.087 20.563 1.00 0.75 O ATOM 719 CB ARG A 64 -19.131 8.509 18.019 1.00 0.63 C ATOM 720 CG ARG A 64 -18.950 8.604 16.510 1.00 0.63 C ATOM 721 CD ARG A 64 -20.256 8.360 15.776 1.00 0.65 C ATOM 722 NE ARG A 64 -21.265 9.362 16.119 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.572 9.128 16.157 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.050 7.925 15.869 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.405 10.102 16.492 1.00 1.14 N ATOM 0 H ARG A 64 -17.026 7.179 18.329 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.608 9.992 18.431 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.321 7.470 18.290 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.013 9.080 18.309 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.564 9.590 16.250 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.207 7.875 16.185 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.078 8.376 14.701 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.631 7.367 16.022 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.943 10.303 16.344 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.412 7.170 15.616 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -24.055 7.755 15.901 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.042 11.028 16.720 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.409 9.926 16.522 1.00 1.14 H new ATOM 739 N THR A 65 -17.701 8.515 21.196 1.00 0.68 N ATOM 740 CA THR A 65 -18.038 8.682 22.605 1.00 0.74 C ATOM 741 C THR A 65 -17.041 9.602 23.307 1.00 0.75 C ATOM 742 O THR A 65 -17.430 10.505 24.048 1.00 0.83 O ATOM 743 CB THR A 65 -18.094 7.334 23.338 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.902 6.412 22.596 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.676 7.506 24.732 1.00 0.93 C ATOM 0 H THR A 65 -16.982 7.817 21.005 1.00 0.68 H new ATOM 0 HA THR A 65 -19.028 9.138 22.639 1.00 0.74 H new ATOM 0 HB THR A 65 -17.079 6.946 23.425 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.934 5.553 23.066 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.707 6.540 25.235 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.053 8.193 25.304 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.686 7.909 24.657 1.00 0.93 H new ATOM 753 N SER A 66 -15.763 9.379 23.065 1.00 0.71 N ATOM 754 CA SER A 66 -14.724 10.185 23.684 1.00 0.75 C ATOM 755 C SER A 66 -14.372 11.376 22.803 1.00 0.73 C ATOM 756 O SER A 66 -14.021 12.447 23.296 1.00 0.79 O ATOM 757 CB SER A 66 -13.485 9.327 23.940 1.00 0.75 C ATOM 758 OG SER A 66 -13.138 8.589 22.782 1.00 0.75 O ATOM 0 H SER A 66 -15.418 8.647 22.444 1.00 0.71 H new ATOM 0 HA SER A 66 -15.096 10.564 24.636 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.651 9.963 24.235 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.674 8.645 24.769 1.00 0.75 H new ATOM 0 HG SER A 66 -12.342 8.048 22.965 1.00 0.75 H new ATOM 764 N GLY A 67 -14.484 11.188 21.492 1.00 0.67 N ATOM 765 CA GLY A 67 -14.160 12.247 20.558 1.00 0.67 C ATOM 766 C GLY A 67 -12.679 12.274 20.243 1.00 0.65 C ATOM 767 O GLY A 67 -12.144 13.285 19.781 1.00 0.70 O ATOM 0 H GLY A 67 -14.795 10.318 21.060 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.727 12.108 19.637 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.462 13.207 20.976 1.00 0.67 H new ATOM 771 N ASN A 68 -12.019 11.155 20.500 1.00 0.63 N ATOM 772 CA ASN A 68 -10.587 11.035 20.264 1.00 0.63 C ATOM 773 C ASN A 68 -10.317 10.303 18.959 1.00 0.58 C ATOM 774 O ASN A 68 -11.127 9.488 18.515 1.00 0.58 O ATOM 775 CB ASN A 68 -9.920 10.287 21.424 1.00 0.68 C ATOM 776 CG ASN A 68 -10.009 11.045 22.736 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.899 12.271 22.772 1.00 1.01 O ATOM 778 ND2 ASN A 68 -10.213 10.321 23.827 1.00 1.01 N ATOM 0 H ASN A 68 -12.455 10.312 20.874 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.168 12.039 20.196 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.391 9.311 21.540 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.872 10.109 21.182 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -10.284 10.778 24.736 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.299 9.307 23.757 1.00 1.01 H new ATOM 785 N VAL A 69 -9.187 10.606 18.343 1.00 0.56 N ATOM 786 CA VAL A 69 -8.806 9.969 17.096 1.00 0.53 C ATOM 787 C VAL A 69 -7.897 8.784 17.385 1.00 0.51 C ATOM 788 O VAL A 69 -6.796 8.952 17.906 1.00 0.59 O ATOM 789 CB VAL A 69 -8.079 10.951 16.153 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.644 10.255 14.872 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.958 12.152 15.839 1.00 0.63 C ATOM 0 H VAL A 69 -8.516 11.292 18.689 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.717 9.634 16.600 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.185 11.307 16.665 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.134 10.969 14.225 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.966 9.437 15.115 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.520 9.860 14.357 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.424 12.830 15.173 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.875 11.815 15.355 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.206 12.673 16.764 1.00 0.63 H new ATOM 801 N GLU A 70 -8.362 7.594 17.050 1.00 0.49 N ATOM 802 CA GLU A 70 -7.593 6.384 17.289 1.00 0.51 C ATOM 803 C GLU A 70 -6.554 6.164 16.202 1.00 0.50 C ATOM 804 O GLU A 70 -5.355 6.090 16.479 1.00 0.62 O ATOM 805 CB GLU A 70 -8.512 5.165 17.357 1.00 0.55 C ATOM 806 CG GLU A 70 -9.365 5.093 18.609 1.00 0.81 C ATOM 807 CD GLU A 70 -9.721 3.670 18.967 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.268 2.951 18.104 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.447 3.249 20.109 1.00 0.71 O ATOM 0 H GLU A 70 -9.269 7.438 16.611 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.082 6.510 18.244 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.167 5.170 16.486 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.904 4.263 17.294 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.830 5.553 19.440 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.278 5.669 18.460 1.00 0.81 H new ATOM 816 N ASP A 71 -7.017 6.077 14.967 1.00 0.47 N ATOM 817 CA ASP A 71 -6.132 5.825 13.840 1.00 0.46 C ATOM 818 C ASP A 71 -6.009 7.047 12.942 1.00 0.43 C ATOM 819 O ASP A 71 -6.987 7.760 12.717 1.00 0.46 O ATOM 820 CB ASP A 71 -6.657 4.645 13.012 1.00 0.51 C ATOM 821 CG ASP A 71 -6.766 3.357 13.806 1.00 0.57 C ATOM 822 OD1 ASP A 71 -7.751 3.196 14.559 1.00 0.61 O ATOM 823 OD2 ASP A 71 -5.877 2.490 13.663 1.00 0.73 O ATOM 0 H ASP A 71 -8.001 6.177 14.718 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.147 5.590 14.243 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.637 4.900 12.610 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.995 4.484 12.161 1.00 0.51 H new ATOM 828 N ASP A 72 -4.800 7.276 12.441 1.00 0.43 N ATOM 829 CA ASP A 72 -4.513 8.386 11.532 1.00 0.42 C ATOM 830 C ASP A 72 -3.521 7.917 10.477 1.00 0.42 C ATOM 831 O ASP A 72 -2.359 7.636 10.788 1.00 0.52 O ATOM 832 CB ASP A 72 -3.946 9.594 12.285 1.00 0.48 C ATOM 833 CG ASP A 72 -3.265 10.596 11.362 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.965 11.255 10.558 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.026 10.740 11.442 1.00 1.05 O ATOM 0 H ASP A 72 -3.987 6.697 12.653 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.444 8.700 11.059 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.752 10.092 12.824 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.230 9.249 13.031 1.00 0.48 H new ATOM 840 N LEU A 73 -3.984 7.799 9.244 1.00 0.36 N ATOM 841 CA LEU A 73 -3.135 7.339 8.154 1.00 0.38 C ATOM 842 C LEU A 73 -3.015 8.396 7.067 1.00 0.34 C ATOM 843 O LEU A 73 -3.969 9.116 6.782 1.00 0.42 O ATOM 844 CB LEU A 73 -3.706 6.057 7.548 1.00 0.44 C ATOM 845 CG LEU A 73 -4.088 4.969 8.551 1.00 0.66 C ATOM 846 CD1 LEU A 73 -4.753 3.804 7.841 1.00 0.93 C ATOM 847 CD2 LEU A 73 -2.868 4.495 9.322 1.00 0.92 C ATOM 0 H LEU A 73 -4.943 8.015 8.971 1.00 0.36 H new ATOM 0 HA LEU A 73 -2.144 7.144 8.564 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.589 6.314 6.963 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.973 5.646 6.854 1.00 0.44 H new ATOM 0 HG LEU A 73 -4.797 5.393 9.262 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -5.019 3.038 8.569 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -5.654 4.152 7.335 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -4.065 3.384 7.108 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -3.163 3.721 10.030 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -2.133 4.090 8.627 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -2.431 5.334 9.863 1.00 0.92 H new ATOM 859 N ILE A 74 -1.842 8.482 6.466 1.00 0.29 N ATOM 860 CA ILE A 74 -1.604 9.435 5.391 1.00 0.28 C ATOM 861 C ILE A 74 -1.707 8.714 4.050 1.00 0.30 C ATOM 862 O ILE A 74 -0.867 7.886 3.711 1.00 0.51 O ATOM 863 CB ILE A 74 -0.224 10.109 5.536 1.00 0.30 C ATOM 864 CG1 ILE A 74 -0.017 10.574 6.983 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.115 11.284 4.580 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.357 11.149 7.255 1.00 0.59 C ATOM 0 H ILE A 74 -1.036 7.903 6.703 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.359 10.220 5.444 1.00 0.28 H new ATOM 0 HB ILE A 74 0.553 9.386 5.288 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.768 11.326 7.223 1.00 0.43 H new ATOM 0 HG13 ILE A 74 -0.186 9.730 7.652 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.863 11.753 4.690 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.235 10.932 3.555 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.894 12.012 4.807 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.423 11.454 8.299 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.115 10.393 7.049 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.523 12.014 6.613 1.00 0.59 H new ATOM 878 N ILE A 75 -2.739 9.035 3.288 1.00 0.24 N ATOM 879 CA ILE A 75 -2.982 8.373 2.012 1.00 0.23 C ATOM 880 C ILE A 75 -2.302 9.087 0.839 1.00 0.24 C ATOM 881 O ILE A 75 -2.143 10.309 0.844 1.00 0.26 O ATOM 882 CB ILE A 75 -4.495 8.252 1.733 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.234 7.728 2.976 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.742 7.340 0.543 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.784 6.352 3.423 1.00 0.31 C ATOM 0 H ILE A 75 -3.425 9.751 3.529 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.545 7.378 2.096 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.883 9.243 1.497 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.089 8.431 3.796 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.303 7.699 2.766 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.814 7.265 0.359 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.250 7.751 -0.339 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.340 6.349 0.754 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.351 6.052 4.304 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.955 5.635 2.620 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.722 6.378 3.667 1.00 0.31 H new ATOM 897 N PHE A 76 -1.902 8.296 -0.157 1.00 0.27 N ATOM 898 CA PHE A 76 -1.240 8.804 -1.356 1.00 0.31 C ATOM 899 C PHE A 76 -1.772 8.083 -2.592 1.00 0.32 C ATOM 900 O PHE A 76 -2.250 6.948 -2.489 1.00 0.35 O ATOM 901 CB PHE A 76 0.274 8.582 -1.281 1.00 0.34 C ATOM 902 CG PHE A 76 0.930 9.223 -0.097 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.382 10.527 -0.163 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.098 8.513 1.077 1.00 0.40 C ATOM 905 CE1 PHE A 76 1.992 11.116 0.926 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.705 9.093 2.168 1.00 0.50 C ATOM 907 CZ PHE A 76 2.154 10.398 2.092 1.00 0.58 C ATOM 0 H PHE A 76 -2.029 7.284 -0.154 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.447 9.872 -1.423 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.472 7.510 -1.256 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.732 8.970 -2.191 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.257 11.091 -1.076 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.749 7.493 1.139 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.341 12.136 0.865 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.830 8.530 3.081 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.632 10.855 2.946 1.00 0.58 H new ATOM 917 N PRO A 77 -1.701 8.725 -3.774 1.00 0.36 N ATOM 918 CA PRO A 77 -2.154 8.117 -5.031 1.00 0.38 C ATOM 919 C PRO A 77 -1.260 6.946 -5.430 1.00 0.33 C ATOM 920 O PRO A 77 -0.136 6.830 -4.937 1.00 0.33 O ATOM 921 CB PRO A 77 -2.039 9.256 -6.054 1.00 0.45 C ATOM 922 CG PRO A 77 -1.867 10.504 -5.256 1.00 0.55 C ATOM 923 CD PRO A 77 -1.197 10.091 -3.981 1.00 0.44 C ATOM 0 HA PRO A 77 -3.163 7.712 -4.957 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.191 9.098 -6.721 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.930 9.311 -6.679 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.262 11.232 -5.796 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.830 10.975 -5.056 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.111 10.112 -4.070 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.462 10.749 -3.154 1.00 0.44 H new ATOM 931 N ASP A 78 -1.759 6.092 -6.334 1.00 0.40 N ATOM 932 CA ASP A 78 -1.030 4.897 -6.805 1.00 0.46 C ATOM 933 C ASP A 78 -0.519 4.067 -5.624 1.00 0.45 C ATOM 934 O ASP A 78 0.454 3.321 -5.754 1.00 0.60 O ATOM 935 CB ASP A 78 0.154 5.231 -7.773 1.00 0.53 C ATOM 936 CG ASP A 78 0.418 6.709 -7.978 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.380 7.372 -8.679 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.446 7.212 -7.462 1.00 1.36 O ATOM 0 H ASP A 78 -2.678 6.206 -6.762 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.753 4.315 -7.377 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.061 4.766 -7.387 1.00 0.53 H new ATOM 0 HB3 ASP A 78 -0.050 4.776 -8.742 1.00 0.53 H new ATOM 943 N ASP A 79 -1.187 4.171 -4.473 1.00 0.53 N ATOM 944 CA ASP A 79 -0.746 3.440 -3.290 1.00 0.61 C ATOM 945 C ASP A 79 -1.901 2.917 -2.435 1.00 0.59 C ATOM 946 O ASP A 79 -1.684 2.112 -1.529 1.00 1.11 O ATOM 947 CB ASP A 79 0.149 4.329 -2.433 1.00 0.80 C ATOM 948 CG ASP A 79 1.376 3.594 -1.942 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.971 2.827 -2.743 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.765 3.798 -0.778 1.00 1.74 O ATOM 0 H ASP A 79 -2.020 4.744 -4.338 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.195 2.572 -3.653 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.456 5.200 -3.012 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.418 4.698 -1.579 1.00 0.80 H new ATOM 955 N CYS A 80 -3.118 3.358 -2.704 1.00 0.50 N ATOM 956 CA CYS A 80 -4.262 2.904 -1.918 1.00 0.46 C ATOM 957 C CYS A 80 -5.445 2.557 -2.813 1.00 0.43 C ATOM 958 O CYS A 80 -5.543 3.045 -3.940 1.00 0.60 O ATOM 959 CB CYS A 80 -4.654 3.973 -0.893 1.00 0.63 C ATOM 960 SG CYS A 80 -3.383 4.270 0.360 1.00 0.90 S ATOM 0 H CYS A 80 -3.342 4.019 -3.447 1.00 0.50 H new ATOM 0 HA CYS A 80 -3.973 1.997 -1.388 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.864 4.907 -1.415 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.577 3.670 -0.399 1.00 0.63 H new ATOM 0 HG CYS A 80 -3.144 3.167 1.006 1.00 0.90 H new ATOM 966 N GLU A 81 -6.325 1.693 -2.312 1.00 0.34 N ATOM 967 CA GLU A 81 -7.500 1.271 -3.063 1.00 0.39 C ATOM 968 C GLU A 81 -8.619 0.831 -2.121 1.00 0.36 C ATOM 969 O GLU A 81 -8.426 -0.052 -1.281 1.00 0.45 O ATOM 970 CB GLU A 81 -7.123 0.122 -3.995 1.00 0.49 C ATOM 971 CG GLU A 81 -7.974 0.039 -5.247 1.00 0.74 C ATOM 972 CD GLU A 81 -7.356 -0.864 -6.290 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.384 -2.100 -6.102 1.00 1.15 O ATOM 974 OE2 GLU A 81 -6.816 -0.339 -7.291 1.00 1.32 O ATOM 0 H GLU A 81 -6.244 1.272 -1.387 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.861 2.116 -3.650 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.078 0.231 -4.285 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.206 -0.818 -3.449 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -8.966 -0.331 -4.988 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.106 1.038 -5.663 1.00 0.74 H new ATOM 981 N PHE A 82 -9.788 1.445 -2.261 1.00 0.34 N ATOM 982 CA PHE A 82 -10.938 1.116 -1.429 1.00 0.32 C ATOM 983 C PHE A 82 -11.953 0.317 -2.238 1.00 0.33 C ATOM 984 O PHE A 82 -12.188 0.616 -3.415 1.00 0.42 O ATOM 985 CB PHE A 82 -11.572 2.403 -0.887 1.00 0.35 C ATOM 986 CG PHE A 82 -12.591 2.184 0.193 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.304 1.377 1.278 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.832 2.794 0.124 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.234 1.181 2.278 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.768 2.600 1.122 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.468 1.795 2.198 1.00 0.43 C ATOM 0 H PHE A 82 -9.964 2.178 -2.948 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.611 0.507 -0.586 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.783 3.048 -0.500 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.044 2.937 -1.712 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.340 0.894 1.344 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.071 3.427 -0.718 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.997 0.549 3.121 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.734 3.079 1.058 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.198 1.644 2.979 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.539 -0.706 -1.626 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.519 -1.543 -2.306 1.00 0.38 C ATOM 1003 C LYS A 83 -14.456 -2.221 -1.308 1.00 0.37 C ATOM 1004 O LYS A 83 -14.235 -2.169 -0.097 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.809 -2.597 -3.164 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.780 -3.418 -2.397 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.851 -4.171 -3.337 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.880 -3.233 -4.036 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.900 -3.969 -4.875 1.00 1.44 N ATOM 0 H LYS A 83 -12.352 -0.975 -0.660 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.120 -0.902 -2.951 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.554 -3.270 -3.588 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.315 -2.100 -3.999 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.194 -2.760 -1.755 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.291 -4.126 -1.745 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -10.293 -4.920 -2.775 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.441 -4.705 -4.082 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.437 -2.533 -4.659 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.347 -2.642 -3.291 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.528 -3.335 -5.611 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.116 -4.305 -4.280 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.368 -4.783 -5.322 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.500 -2.857 -1.827 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.481 -3.545 -0.999 1.00 0.43 C ATOM 1025 C ARG A 84 -16.307 -5.055 -1.118 1.00 0.44 C ATOM 1026 O ARG A 84 -15.954 -5.559 -2.186 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.895 -3.151 -1.431 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.990 -3.644 -0.493 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.348 -3.651 -1.179 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.402 -4.622 -2.271 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.168 -5.716 -2.273 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -21.961 -5.983 -1.242 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.127 -6.551 -3.302 1.00 0.96 N ATOM 0 H ARG A 84 -15.689 -2.910 -2.828 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.328 -3.254 0.040 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.953 -2.065 -1.501 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.082 -3.545 -2.430 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.750 -4.650 -0.148 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -19.030 -3.005 0.389 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.123 -3.883 -0.448 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.564 -2.656 -1.567 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.814 -4.452 -3.087 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -21.988 -5.351 -0.442 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.543 -6.820 -1.250 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.511 -6.358 -4.091 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.712 -7.387 -3.304 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.549 -5.767 -0.023 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.429 -7.218 -0.003 1.00 0.49 C ATOM 1049 C VAL A 85 -17.716 -7.863 -0.514 1.00 0.55 C ATOM 1050 O VAL A 85 -18.761 -7.782 0.136 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.134 -7.739 1.420 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.877 -9.240 1.413 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.957 -6.997 2.032 1.00 0.50 C ATOM 0 H VAL A 85 -16.831 -5.358 0.868 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.597 -7.487 -0.653 1.00 0.49 H new ATOM 0 HB VAL A 85 -17.015 -7.552 2.034 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.672 -9.579 2.429 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.756 -9.758 1.028 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -15.019 -9.459 0.777 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.767 -7.380 3.035 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.072 -7.145 1.413 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.187 -5.933 2.088 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.660 -8.512 -1.686 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.827 -9.161 -2.284 1.00 0.69 C ATOM 1065 C PRO A 86 -19.123 -10.526 -1.666 1.00 0.68 C ATOM 1066 O PRO A 86 -20.154 -11.138 -1.949 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.419 -9.312 -3.748 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.936 -9.439 -3.723 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.455 -8.653 -2.531 1.00 0.64 C ATOM 0 HA PRO A 86 -19.740 -8.585 -2.132 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.883 -10.189 -4.199 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.731 -8.449 -4.336 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.638 -10.485 -3.643 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.499 -9.053 -4.644 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.657 -9.176 -2.004 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.059 -7.682 -2.827 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.215 -10.997 -0.822 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.376 -12.286 -0.163 1.00 0.70 C ATOM 1079 C GLN A 87 -19.011 -12.108 1.213 1.00 0.70 C ATOM 1080 O GLN A 87 -19.175 -13.069 1.966 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.024 -12.987 -0.034 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.403 -13.364 -1.370 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.281 -14.307 -2.167 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.099 -13.875 -2.978 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -17.115 -15.600 -1.941 1.00 1.21 N ATOM 0 H GLN A 87 -17.356 -10.504 -0.577 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.036 -12.905 -0.771 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.337 -12.336 0.506 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.147 -13.888 0.567 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.222 -12.460 -1.952 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -15.434 -13.832 -1.198 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -16.425 -15.914 -1.259 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -17.677 -16.283 -2.449 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.370 -10.873 1.528 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.988 -10.559 2.803 1.00 0.71 C ATOM 1096 C CYS A 88 -21.499 -10.774 2.727 1.00 0.71 C ATOM 1097 O CYS A 88 -22.139 -10.332 1.774 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.677 -9.110 3.192 1.00 0.73 C ATOM 1099 SG CYS A 88 -20.536 -8.535 4.674 1.00 1.44 S ATOM 0 H CYS A 88 -19.242 -10.069 0.913 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.581 -11.224 3.565 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.603 -9.011 3.348 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.940 -8.458 2.359 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.743 -7.255 4.586 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.088 -11.473 3.717 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.533 -11.737 3.750 1.00 0.79 C ATOM 1107 C PRO A 89 -24.355 -10.452 3.789 1.00 0.74 C ATOM 1108 O PRO A 89 -25.348 -10.321 3.075 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.729 -12.535 5.044 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.386 -13.073 5.384 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.397 -12.068 4.874 1.00 0.81 C ATOM 0 HA PRO A 89 -23.867 -12.265 2.857 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.111 -11.900 5.843 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.451 -13.340 4.904 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.282 -13.211 6.460 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.227 -14.047 4.921 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.158 -11.319 5.629 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.458 -12.539 4.584 1.00 0.81 H new ATOM 1119 N SER A 90 -23.938 -9.505 4.625 1.00 0.71 N ATOM 1120 CA SER A 90 -24.633 -8.234 4.743 1.00 0.71 C ATOM 1121 C SER A 90 -24.324 -7.351 3.541 1.00 0.65 C ATOM 1122 O SER A 90 -25.200 -6.665 3.014 1.00 0.72 O ATOM 1123 CB SER A 90 -24.217 -7.540 6.039 1.00 0.75 C ATOM 1124 OG SER A 90 -23.195 -8.276 6.693 1.00 0.85 O ATOM 0 H SER A 90 -23.122 -9.597 5.229 1.00 0.71 H new ATOM 0 HA SER A 90 -25.708 -8.414 4.768 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.864 -6.532 5.821 1.00 0.75 H new ATOM 0 HB3 SER A 90 -25.080 -7.440 6.698 1.00 0.75 H new ATOM 0 HG SER A 90 -22.366 -8.218 6.173 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.067 -7.377 3.115 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.648 -6.593 1.970 1.00 0.60 C ATOM 1132 C GLY A 91 -22.326 -5.154 2.325 1.00 0.57 C ATOM 1133 O GLY A 91 -22.148 -4.316 1.439 1.00 0.64 O ATOM 0 H GLY A 91 -22.327 -7.931 3.546 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.770 -7.056 1.521 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.436 -6.608 1.217 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.247 -4.866 3.619 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.946 -3.516 4.085 1.00 0.51 C ATOM 1139 C ARG A 92 -20.524 -3.429 4.620 1.00 0.48 C ATOM 1140 O ARG A 92 -20.115 -2.407 5.175 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.933 -3.082 5.168 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.359 -2.944 4.671 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.170 -2.026 5.569 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.966 -0.612 5.241 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.361 0.391 6.016 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.977 0.144 7.165 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.170 1.646 5.630 1.00 0.60 N ATOM 0 H ARG A 92 -22.387 -5.548 4.364 1.00 0.52 H new ATOM 0 HA ARG A 92 -22.041 -2.844 3.232 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.909 -3.808 5.981 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.608 -2.128 5.583 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.356 -2.551 3.654 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.829 -3.926 4.632 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.228 -2.270 5.475 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.893 -2.200 6.609 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.493 -0.385 4.366 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.148 -0.819 7.455 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.279 0.917 7.758 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.719 1.842 4.736 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.474 2.415 6.227 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.781 -4.515 4.468 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.400 -4.566 4.923 1.00 0.45 C ATOM 1163 C VAL A 93 -17.469 -4.142 3.794 1.00 0.41 C ATOM 1164 O VAL A 93 -17.416 -4.783 2.740 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.015 -5.977 5.430 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.528 -6.060 5.738 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.828 -6.337 6.665 1.00 0.56 C ATOM 0 H VAL A 93 -20.113 -5.375 4.032 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.297 -3.876 5.761 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.240 -6.692 4.639 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.285 -7.062 6.092 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.957 -5.846 4.835 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.275 -5.332 6.508 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.546 -7.332 7.009 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.632 -5.611 7.454 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.890 -6.326 6.418 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.768 -3.045 4.008 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.841 -2.524 3.024 1.00 0.37 C ATOM 1179 C TYR A 94 -14.411 -2.776 3.478 1.00 0.35 C ATOM 1180 O TYR A 94 -14.161 -2.946 4.673 1.00 0.37 O ATOM 1181 CB TYR A 94 -16.083 -1.027 2.811 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.347 -0.708 2.045 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.602 -0.867 2.623 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.284 -0.237 0.740 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.755 -0.568 1.920 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.432 0.063 0.034 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.663 -0.103 0.626 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.809 0.197 -0.074 1.00 0.53 O ATOM 0 H TYR A 94 -16.825 -2.493 4.864 1.00 0.39 H new ATOM 0 HA TYR A 94 -16.002 -3.036 2.075 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.126 -0.535 3.783 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.231 -0.605 2.278 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.677 -1.230 3.637 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.321 -0.103 0.270 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.722 -0.698 2.383 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.364 0.427 -0.980 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.652 0.062 -1.032 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.478 -2.803 2.537 1.00 0.34 N ATOM 1199 CA VAL A 95 -12.086 -3.055 2.870 1.00 0.33 C ATOM 1200 C VAL A 95 -11.144 -2.111 2.127 1.00 0.31 C ATOM 1201 O VAL A 95 -11.272 -1.897 0.920 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.694 -4.524 2.574 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -12.020 -4.898 1.135 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.219 -4.768 2.868 1.00 0.38 C ATOM 0 H VAL A 95 -13.659 -2.655 1.544 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.983 -2.870 3.939 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.283 -5.162 3.234 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.734 -5.934 0.955 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -13.090 -4.781 0.962 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.469 -4.247 0.456 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.972 -5.807 2.651 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.611 -4.113 2.245 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -10.018 -4.559 3.919 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.219 -1.535 2.873 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.220 -0.641 2.319 1.00 0.30 C ATOM 1216 C LEU A 96 -7.903 -1.398 2.211 1.00 0.30 C ATOM 1217 O LEU A 96 -7.362 -1.866 3.218 1.00 0.38 O ATOM 1218 CB LEU A 96 -9.063 0.597 3.211 1.00 0.34 C ATOM 1219 CG LEU A 96 -8.056 1.643 2.719 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.509 2.258 1.403 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.869 2.724 3.772 1.00 0.44 C ATOM 0 H LEU A 96 -10.140 -1.674 3.880 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.529 -0.302 1.330 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -10.037 1.076 3.313 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.763 0.270 4.207 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.101 1.146 2.548 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.777 2.997 1.076 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.599 1.477 0.648 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.476 2.742 1.541 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -7.152 3.462 3.413 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.824 3.211 3.967 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.497 2.275 4.693 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.408 -1.547 0.994 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.168 -2.271 0.770 1.00 0.33 C ATOM 1235 C LYS A 97 -5.061 -1.328 0.321 1.00 0.26 C ATOM 1236 O LYS A 97 -5.281 -0.436 -0.503 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.373 -3.380 -0.265 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.205 -4.349 -0.359 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.471 -5.451 -1.374 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.297 -6.414 -1.482 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.102 -5.766 -2.083 1.00 0.89 N ATOM 0 H LYS A 97 -7.844 -1.178 0.149 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.868 -2.725 1.714 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.276 -3.936 -0.015 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.538 -2.927 -1.243 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.303 -3.806 -0.639 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.019 -4.792 0.619 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.367 -6.001 -1.087 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.668 -5.007 -2.350 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -4.045 -6.792 -0.491 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.587 -7.273 -2.087 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.372 -6.484 -2.264 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.368 -5.309 -2.979 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.728 -5.050 -1.427 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.878 -1.527 0.878 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.725 -0.711 0.539 1.00 0.30 C ATOM 1257 C PHE A 98 -1.907 -1.388 -0.551 1.00 0.33 C ATOM 1258 O PHE A 98 -1.779 -2.614 -0.571 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.856 -0.469 1.775 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.358 0.635 2.662 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.465 0.446 3.472 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.716 1.864 2.686 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.921 1.461 4.290 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.166 2.884 3.503 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.270 2.683 4.305 1.00 0.77 C ATOM 0 H PHE A 98 -3.691 -2.251 1.571 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.079 0.252 0.170 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.800 -1.391 2.354 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.842 -0.232 1.454 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.977 -0.505 3.464 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.853 2.026 2.058 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.785 1.302 4.918 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.655 3.835 3.513 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.626 3.478 4.944 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.364 -0.592 -1.457 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.553 -1.119 -2.546 1.00 0.48 C ATOM 1277 C LYS A 99 0.921 -1.075 -2.171 1.00 0.54 C ATOM 1278 O LYS A 99 1.786 -1.470 -2.950 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.794 -0.332 -3.840 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.261 -0.196 -4.215 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.429 0.310 -5.638 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.892 0.547 -5.967 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.168 0.428 -7.420 1.00 1.11 N ATOM 0 H LYS A 99 -1.469 0.423 -1.461 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.845 -2.155 -2.718 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.363 0.663 -3.734 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.265 -0.823 -4.656 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.755 -1.162 -4.111 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.752 0.489 -3.524 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -1.870 1.237 -5.766 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.009 -0.414 -6.336 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.506 -0.171 -5.423 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.183 1.540 -5.624 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.192 0.326 -7.572 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.829 1.281 -7.909 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.677 -0.407 -7.799 1.00 1.11 H new ATOM 1297 N ALA A 100 1.197 -0.570 -0.979 1.00 0.55 N ATOM 1298 CA ALA A 100 2.556 -0.480 -0.476 1.00 0.63 C ATOM 1299 C ALA A 100 2.768 -1.518 0.618 1.00 0.62 C ATOM 1300 O ALA A 100 2.449 -1.283 1.785 1.00 1.36 O ATOM 1301 CB ALA A 100 2.849 0.919 0.048 1.00 0.89 C ATOM 0 H ALA A 100 0.489 -0.213 -0.337 1.00 0.55 H new ATOM 0 HA ALA A 100 3.247 -0.681 -1.295 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.873 0.961 0.419 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.725 1.643 -0.758 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.159 1.156 0.858 1.00 0.89 H new ATOM 1307 N GLY A 101 3.282 -2.674 0.232 1.00 0.78 N ATOM 1308 CA GLY A 101 3.515 -3.733 1.188 1.00 0.83 C ATOM 1309 C GLY A 101 2.286 -4.597 1.378 1.00 0.73 C ATOM 1310 O GLY A 101 1.729 -5.111 0.402 1.00 1.06 O ATOM 0 H GLY A 101 3.542 -2.898 -0.728 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.346 -4.352 0.850 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.808 -3.301 2.145 1.00 0.83 H new ATOM 1314 N SER A 102 1.847 -4.746 2.621 1.00 0.51 N ATOM 1315 CA SER A 102 0.679 -5.560 2.925 1.00 0.48 C ATOM 1316 C SER A 102 -0.101 -5.000 4.113 1.00 0.52 C ATOM 1317 O SER A 102 0.406 -4.961 5.237 1.00 1.13 O ATOM 1318 CB SER A 102 1.113 -6.998 3.220 1.00 0.60 C ATOM 1319 OG SER A 102 2.522 -7.091 3.372 1.00 1.00 O ATOM 0 H SER A 102 2.283 -4.313 3.435 1.00 0.51 H new ATOM 0 HA SER A 102 0.022 -5.544 2.055 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.623 -7.349 4.128 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.789 -7.651 2.410 1.00 0.60 H new ATOM 0 HG SER A 102 2.770 -8.020 3.561 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.329 -4.557 3.860 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.188 -4.017 4.908 1.00 0.42 C ATOM 1327 C LYS A 103 -3.645 -4.039 4.459 1.00 0.39 C ATOM 1328 O LYS A 103 -3.973 -3.588 3.361 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.769 -2.593 5.285 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.406 -2.106 6.577 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.733 -0.848 7.098 1.00 0.79 C ATOM 1332 CE LYS A 103 -2.225 -0.492 8.494 1.00 0.93 C ATOM 1333 NZ LYS A 103 -1.703 -1.423 9.532 1.00 1.17 N ATOM 0 H LYS A 103 -1.753 -4.562 2.932 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.081 -4.646 5.792 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.684 -2.554 5.385 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.039 -1.915 4.476 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.465 -1.909 6.409 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.344 -2.891 7.331 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.653 -0.993 7.117 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.931 -0.019 6.418 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.920 0.526 8.736 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -3.315 -0.510 8.508 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -1.907 -1.039 10.477 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -2.162 -2.351 9.429 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.675 -1.530 9.417 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.508 -4.580 5.312 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.930 -4.676 5.015 1.00 0.38 C ATOM 1349 C ARG A 104 -6.764 -4.145 6.174 1.00 0.37 C ATOM 1350 O ARG A 104 -6.675 -4.648 7.294 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.317 -6.130 4.735 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.860 -6.636 3.380 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.976 -8.147 3.280 1.00 0.86 C ATOM 1354 NE ARG A 104 -5.638 -8.624 1.943 1.00 1.11 N ATOM 1355 CZ ARG A 104 -4.425 -9.032 1.573 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -3.415 -9.020 2.440 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -4.224 -9.430 0.328 1.00 1.70 N ATOM 0 H ARG A 104 -4.244 -4.961 6.221 1.00 0.37 H new ATOM 0 HA ARG A 104 -6.129 -4.070 4.131 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.892 -6.765 5.512 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.401 -6.227 4.802 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.459 -6.172 2.597 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.826 -6.338 3.209 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.315 -8.612 4.011 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.992 -8.452 3.530 1.00 0.86 H new ATOM 0 HE ARG A 104 -6.381 -8.647 1.244 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -3.567 -8.697 3.395 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -2.489 -9.334 2.149 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -4.994 -9.423 -0.340 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -3.298 -9.744 0.036 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.561 -3.128 5.905 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.411 -2.540 6.926 1.00 0.34 C ATOM 1373 C LEU A 105 -9.877 -2.712 6.554 1.00 0.33 C ATOM 1374 O LEU A 105 -10.293 -2.331 5.461 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.077 -1.061 7.102 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.644 -0.767 7.551 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.354 0.720 7.432 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.417 -1.247 8.976 1.00 0.82 C ATOM 0 H LEU A 105 -7.638 -2.691 4.987 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.230 -3.053 7.871 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.257 -0.549 6.157 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.765 -0.634 7.832 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.958 -1.309 6.900 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.332 0.918 7.754 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.475 1.032 6.395 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.047 1.277 8.062 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.392 -1.028 9.275 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.108 -0.736 9.647 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.589 -2.322 9.029 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.652 -3.297 7.454 1.00 0.34 N ATOM 1391 CA PHE A 106 -12.066 -3.522 7.206 1.00 0.34 C ATOM 1392 C PHE A 106 -12.917 -2.528 7.984 1.00 0.35 C ATOM 1393 O PHE A 106 -12.718 -2.331 9.182 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.455 -4.951 7.591 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.872 -6.002 6.692 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.611 -6.520 6.936 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.586 -6.476 5.603 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -10.072 -7.488 6.110 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -12.056 -7.444 4.775 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.797 -7.951 5.028 1.00 0.52 C ATOM 0 H PHE A 106 -10.325 -3.624 8.363 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.248 -3.378 6.141 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -12.132 -5.142 8.614 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.541 -5.038 7.578 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -10.042 -6.163 7.782 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.571 -6.082 5.400 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -9.086 -7.882 6.309 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.625 -7.804 3.931 1.00 0.50 H new ATOM 0 HZ PHE A 106 -10.379 -8.708 4.381 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.859 -1.902 7.290 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.753 -0.928 7.901 1.00 0.37 C ATOM 1412 C PHE A 107 -16.183 -1.171 7.436 1.00 0.39 C ATOM 1413 O PHE A 107 -16.459 -1.197 6.235 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.337 0.500 7.536 1.00 0.36 C ATOM 1415 CG PHE A 107 -12.958 0.880 7.995 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.711 1.186 9.324 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.908 0.938 7.092 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.442 1.540 9.745 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.638 1.292 7.506 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.406 1.591 8.834 1.00 0.46 C ATOM 0 H PHE A 107 -14.024 -2.054 6.295 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.693 -1.045 8.983 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.392 0.616 6.454 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.056 1.197 7.968 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.519 1.148 10.039 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.085 0.704 6.053 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.262 1.776 10.783 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.829 1.335 6.792 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.414 1.865 9.160 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.091 -1.346 8.378 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.486 -1.584 8.041 1.00 0.43 C ATOM 1432 C TRP A 108 -19.293 -0.304 8.227 1.00 0.45 C ATOM 1433 O TRP A 108 -19.114 0.418 9.207 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.068 -2.738 8.871 1.00 0.45 C ATOM 1435 CG TRP A 108 -19.002 -2.538 10.356 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.893 -2.616 11.151 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.099 -2.246 11.228 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.233 -2.381 12.460 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.580 -2.154 12.532 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.470 -2.052 11.031 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.381 -1.874 13.633 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.266 -1.774 12.127 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.720 -1.689 13.412 1.00 0.74 C ATOM 0 H TRP A 108 -16.891 -1.328 9.378 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.545 -1.879 6.993 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.109 -2.885 8.584 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.535 -3.654 8.618 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.894 -2.831 10.800 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.587 -2.376 13.249 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.899 -2.118 10.042 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.963 -1.805 14.626 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.326 -1.620 11.989 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.368 -1.473 14.248 1.00 0.74 H new ATOM 1454 N MET A 109 -20.158 -0.018 7.260 1.00 0.46 N ATOM 1455 CA MET A 109 -20.991 1.184 7.290 1.00 0.48 C ATOM 1456 C MET A 109 -21.984 1.152 8.451 1.00 0.50 C ATOM 1457 O MET A 109 -22.699 0.169 8.644 1.00 0.51 O ATOM 1458 CB MET A 109 -21.751 1.334 5.968 1.00 0.50 C ATOM 1459 CG MET A 109 -20.848 1.533 4.759 1.00 0.50 C ATOM 1460 SD MET A 109 -19.944 3.093 4.806 1.00 0.58 S ATOM 1461 CE MET A 109 -19.046 3.004 3.257 1.00 0.60 C ATOM 0 H MET A 109 -20.303 -0.606 6.439 1.00 0.46 H new ATOM 0 HA MET A 109 -20.330 2.039 7.432 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.364 0.447 5.810 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.431 2.182 6.045 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.137 0.709 4.703 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.451 1.496 3.852 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.437 3.900 3.138 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.402 2.125 3.260 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.753 2.933 2.430 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.020 2.235 9.223 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.930 2.345 10.356 1.00 0.53 C ATOM 1473 C GLN A 110 -24.086 3.279 10.017 1.00 0.56 C ATOM 1474 O GLN A 110 -24.910 3.608 10.871 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.195 2.858 11.596 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.236 1.848 12.205 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.606 2.342 13.496 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.427 3.544 13.695 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.265 1.420 14.384 1.00 0.53 N ATOM 0 H GLN A 110 -21.426 3.052 9.082 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.324 1.352 10.572 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.640 3.758 11.331 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.929 3.147 12.348 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.770 0.918 12.399 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.449 1.620 11.486 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.429 0.433 14.183 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.838 1.697 15.268 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.129 3.720 8.761 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.189 4.608 8.292 1.00 0.60 C ATOM 1490 C GLU A 111 -26.523 3.860 8.272 1.00 0.63 C ATOM 1491 O GLU A 111 -26.553 2.651 8.046 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.852 5.151 6.898 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.646 6.085 6.876 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.895 7.390 7.611 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.901 8.065 7.310 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.086 7.751 8.489 1.00 0.67 O ATOM 0 H GLU A 111 -23.440 3.476 8.049 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.273 5.453 8.975 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.663 4.313 6.228 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.719 5.683 6.506 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.792 5.578 7.325 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.380 6.302 5.842 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.634 4.569 8.530 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.982 3.979 8.567 1.00 0.71 C ATOM 1505 C PRO A 112 -29.330 3.119 7.345 1.00 0.71 C ATOM 1506 O PRO A 112 -29.673 1.940 7.490 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.916 5.196 8.648 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.061 6.397 8.424 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.672 6.008 8.830 1.00 0.71 C ATOM 0 HA PRO A 112 -29.070 3.289 9.406 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.702 5.133 7.896 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.408 5.245 9.620 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.089 6.704 7.378 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.416 7.242 9.014 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.918 6.558 8.268 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.489 6.206 9.886 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.242 3.693 6.154 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.582 2.962 4.938 1.00 0.75 C ATOM 1519 C LYS A 113 -28.360 2.746 4.052 1.00 0.69 C ATOM 1520 O LYS A 113 -27.305 3.333 4.282 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.668 3.707 4.155 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.977 3.851 4.915 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.974 4.700 4.144 1.00 1.05 C ATOM 1524 CE LYS A 113 -34.278 4.875 4.911 1.00 1.11 C ATOM 1525 NZ LYS A 113 -35.098 5.993 4.370 1.00 1.51 N ATOM 0 H LYS A 113 -28.941 4.655 6.002 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.959 1.984 5.237 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -30.299 4.699 3.893 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.857 3.179 3.220 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.403 2.865 5.100 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.787 4.304 5.888 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -32.538 5.678 3.940 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -33.179 4.235 3.180 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.852 3.950 4.866 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.058 5.062 5.962 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.976 6.077 4.921 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.561 6.881 4.436 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -35.331 5.803 3.374 1.00 1.51 H new ATOM 1539 N THR A 114 -28.519 1.906 3.035 1.00 0.69 N ATOM 1540 CA THR A 114 -27.443 1.598 2.099 1.00 0.66 C ATOM 1541 C THR A 114 -27.510 2.509 0.874 1.00 0.67 C ATOM 1542 O THR A 114 -26.781 2.316 -0.101 1.00 0.69 O ATOM 1543 CB THR A 114 -27.546 0.135 1.627 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.926 -0.205 1.426 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.932 -0.818 2.637 1.00 0.86 C ATOM 0 H THR A 114 -29.394 1.421 2.836 1.00 0.69 H new ATOM 0 HA THR A 114 -26.498 1.757 2.619 1.00 0.66 H new ATOM 0 HB THR A 114 -26.995 0.039 0.692 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.993 -1.135 1.124 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.022 -1.841 2.273 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.879 -0.573 2.775 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.454 -0.725 3.589 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.388 3.501 0.950 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.610 4.446 -0.147 1.00 0.72 C ATOM 1555 C ASP A 115 -27.335 5.146 -0.604 1.00 0.68 C ATOM 1556 O ASP A 115 -27.056 5.217 -1.801 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.633 5.500 0.269 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.975 5.282 -0.389 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.171 5.766 -1.522 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.842 4.626 0.228 1.00 1.14 O ATOM 0 H ASP A 115 -28.968 3.677 1.771 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.980 3.859 -0.987 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.754 5.480 1.352 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.259 6.490 0.009 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.564 5.659 0.341 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.342 6.382 0.012 1.00 0.64 C ATOM 1567 C GLN A 116 -24.095 5.574 0.346 1.00 0.60 C ATOM 1568 O GLN A 116 -23.001 6.131 0.440 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.308 7.715 0.758 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.445 8.651 0.384 1.00 0.77 C ATOM 1571 CD GLN A 116 -26.262 9.285 -0.978 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.667 8.728 -1.997 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.662 10.464 -1.001 1.00 0.92 N ATOM 0 H GLN A 116 -26.760 5.590 1.340 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.345 6.560 -1.063 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.345 7.523 1.830 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.359 8.211 0.555 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.384 8.098 0.398 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.526 9.435 1.136 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.342 10.890 -0.131 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.520 10.947 -1.888 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.253 4.270 0.518 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.118 3.403 0.834 1.00 0.58 C ATOM 1584 C ASP A 117 -22.107 3.426 -0.303 1.00 0.55 C ATOM 1585 O ASP A 117 -20.919 3.677 -0.091 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.581 1.969 1.115 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.866 1.729 2.588 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -24.205 2.699 3.301 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.758 0.571 3.043 1.00 0.64 O ATOM 0 H ASP A 117 -25.149 3.787 0.446 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.639 3.782 1.737 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.480 1.761 0.535 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.815 1.270 0.778 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.593 3.210 -1.518 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.730 3.216 -2.692 1.00 0.56 C ATOM 1596 C GLU A 118 -21.206 4.617 -2.971 1.00 0.55 C ATOM 1597 O GLU A 118 -20.067 4.784 -3.409 1.00 0.55 O ATOM 1598 CB GLU A 118 -22.478 2.682 -3.911 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.565 1.167 -3.937 1.00 0.62 C ATOM 1600 CD GLU A 118 -21.228 0.514 -3.654 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.254 0.809 -4.384 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -21.141 -0.292 -2.702 1.00 0.70 O ATOM 0 H GLU A 118 -23.577 3.029 -1.716 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.881 2.564 -2.489 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.485 3.098 -3.923 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.979 3.027 -4.817 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -23.294 0.834 -3.199 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.927 0.842 -4.912 1.00 0.62 H new ATOM 1609 N GLU A 119 -22.036 5.621 -2.701 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.651 7.010 -2.915 1.00 0.59 C ATOM 1611 C GLU A 119 -20.471 7.365 -2.019 1.00 0.56 C ATOM 1612 O GLU A 119 -19.513 8.005 -2.456 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.834 7.943 -2.639 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.480 9.426 -2.689 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.181 9.929 -4.091 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.838 9.108 -4.966 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -22.281 11.152 -4.321 1.00 1.25 O ATOM 0 H GLU A 119 -22.979 5.497 -2.334 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.353 7.136 -3.956 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.619 7.743 -3.368 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -23.245 7.711 -1.656 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.306 10.003 -2.273 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.613 9.606 -2.054 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.539 6.927 -0.763 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.470 7.181 0.193 1.00 0.54 C ATOM 1626 C HIS A 120 -18.194 6.489 -0.260 1.00 0.51 C ATOM 1627 O HIS A 120 -17.116 7.078 -0.228 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.860 6.704 1.597 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.706 7.683 2.352 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.835 7.323 3.060 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.584 9.023 2.506 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.368 8.396 3.613 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.627 9.438 3.293 1.00 0.74 N ATOM 0 H HIS A 120 -21.324 6.395 -0.387 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.299 8.257 0.237 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.399 5.760 1.514 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.953 6.504 2.168 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.809 9.648 2.087 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.259 8.417 4.223 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.802 10.400 3.584 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.334 5.239 -0.696 1.00 0.49 N ATOM 1643 CA CYS A 121 -17.203 4.457 -1.181 1.00 0.48 C ATOM 1644 C CYS A 121 -16.562 5.133 -2.392 1.00 0.48 C ATOM 1645 O CYS A 121 -15.339 5.141 -2.541 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.667 3.045 -1.558 1.00 0.49 C ATOM 1647 SG CYS A 121 -16.373 2.000 -2.265 1.00 0.48 S ATOM 0 H CYS A 121 -19.226 4.745 -0.723 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.461 4.392 -0.386 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -18.066 2.557 -0.669 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.486 3.123 -2.273 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.290 2.110 -1.554 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.402 5.708 -3.245 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.939 6.390 -4.441 1.00 0.54 C ATOM 1655 C ARG A 122 -16.147 7.640 -4.079 1.00 0.53 C ATOM 1656 O ARG A 122 -15.018 7.814 -4.531 1.00 0.54 O ATOM 1657 CB ARG A 122 -18.128 6.749 -5.334 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.758 6.981 -6.788 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.934 6.692 -7.701 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.442 5.333 -7.522 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.730 5.002 -7.611 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.644 5.920 -7.888 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -21.104 3.748 -7.415 1.00 1.52 N ATOM 0 H ARG A 122 -18.415 5.713 -3.126 1.00 0.51 H new ATOM 0 HA ARG A 122 -16.278 5.718 -4.989 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.865 5.948 -5.280 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.605 7.648 -4.943 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.432 8.012 -6.924 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.917 6.343 -7.059 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.732 7.407 -7.502 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.631 6.833 -8.739 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.770 4.593 -7.317 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -21.364 6.890 -8.035 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.627 5.657 -7.954 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -20.407 3.036 -7.196 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.089 3.493 -7.483 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.736 8.493 -3.244 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.082 9.730 -2.820 1.00 0.53 C ATOM 1679 C LYS A 123 -14.750 9.429 -2.142 1.00 0.51 C ATOM 1680 O LYS A 123 -13.759 10.127 -2.356 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.994 10.529 -1.882 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.248 11.051 -2.564 1.00 0.63 C ATOM 1683 CD LYS A 123 -19.019 12.006 -1.669 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.240 12.562 -2.384 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.994 13.528 -1.543 1.00 1.12 N ATOM 0 H LYS A 123 -17.665 8.351 -2.847 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.887 10.334 -3.706 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.282 9.898 -1.041 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.435 11.370 -1.472 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.974 11.560 -3.488 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.888 10.213 -2.839 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.330 11.488 -0.762 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.369 12.825 -1.362 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.927 13.053 -3.305 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.897 11.740 -2.668 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.817 13.880 -2.072 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.317 13.055 -0.675 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.376 14.326 -1.293 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.731 8.378 -1.332 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.513 7.975 -0.642 1.00 0.46 C ATOM 1701 C VAL A 124 -12.440 7.598 -1.661 1.00 0.45 C ATOM 1702 O VAL A 124 -11.301 8.054 -1.575 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.761 6.790 0.321 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.449 6.193 0.811 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.613 7.233 1.503 1.00 0.50 C ATOM 0 H VAL A 124 -15.542 7.791 -1.137 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.175 8.822 -0.045 1.00 0.46 H new ATOM 0 HB VAL A 124 -14.298 6.018 -0.231 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.657 5.363 1.486 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.872 5.833 -0.041 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.877 6.956 1.340 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.778 6.387 2.170 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -14.099 8.027 2.044 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.573 7.602 1.142 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.826 6.791 -2.641 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.906 6.349 -3.683 1.00 0.48 C ATOM 1717 C ASN A 125 -11.381 7.537 -4.480 1.00 0.49 C ATOM 1718 O ASN A 125 -10.216 7.566 -4.875 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.597 5.360 -4.628 1.00 0.50 C ATOM 1720 CG ASN A 125 -12.273 3.915 -4.304 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -11.170 3.598 -3.856 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -13.234 3.027 -4.526 1.00 0.77 N ATOM 0 H ASN A 125 -13.774 6.427 -2.737 1.00 0.46 H new ATOM 0 HA ASN A 125 -11.066 5.851 -3.199 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.676 5.507 -4.575 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -12.297 5.574 -5.654 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -13.073 2.040 -4.325 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -14.134 3.331 -4.898 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.247 8.516 -4.701 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.884 9.709 -5.452 1.00 0.56 C ATOM 1731 C GLU A 126 -10.866 10.565 -4.702 1.00 0.55 C ATOM 1732 O GLU A 126 -9.796 10.863 -5.228 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.127 10.542 -5.761 1.00 0.64 C ATOM 1734 CG GLU A 126 -14.119 9.847 -6.679 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.312 10.719 -7.007 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -16.200 10.869 -6.145 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -15.362 11.262 -8.134 1.00 1.27 O ATOM 0 H GLU A 126 -13.211 8.507 -4.369 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.425 9.378 -6.384 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.626 10.793 -4.825 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.819 11.481 -6.220 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.616 9.562 -7.603 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.464 8.927 -6.207 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.194 10.934 -3.469 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.319 11.786 -2.663 1.00 0.55 C ATOM 1746 C TYR A 127 -8.997 11.103 -2.293 1.00 0.52 C ATOM 1747 O TYR A 127 -8.023 11.776 -1.953 1.00 0.60 O ATOM 1748 CB TYR A 127 -11.040 12.236 -1.391 1.00 0.59 C ATOM 1749 CG TYR A 127 -12.072 13.319 -1.623 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.689 14.632 -1.864 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.428 13.028 -1.590 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.633 15.623 -2.067 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.375 14.009 -1.796 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.975 15.304 -2.032 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.920 16.285 -2.233 1.00 0.84 O ATOM 0 H TYR A 127 -12.059 10.658 -3.003 1.00 0.53 H new ATOM 0 HA TYR A 127 -10.075 12.652 -3.279 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.528 11.374 -0.937 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.302 12.598 -0.675 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.639 14.883 -1.893 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.748 12.014 -1.399 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.321 16.640 -2.252 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.426 13.762 -1.772 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.816 15.892 -2.177 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.957 9.778 -2.353 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.740 9.050 -2.011 1.00 0.49 C ATOM 1767 C LEU A 128 -6.901 8.742 -3.250 1.00 0.53 C ATOM 1768 O LEU A 128 -5.911 8.018 -3.166 1.00 0.69 O ATOM 1769 CB LEU A 128 -8.076 7.742 -1.286 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.820 7.889 0.044 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.834 6.570 0.798 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.201 8.979 0.899 1.00 0.44 C ATOM 0 H LEU A 128 -9.743 9.190 -2.632 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.158 9.692 -1.350 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.679 7.124 -1.952 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -7.147 7.201 -1.103 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.848 8.175 -0.178 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.367 6.695 1.740 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.335 5.812 0.196 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.810 6.255 1.000 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.750 9.061 1.837 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.160 8.731 1.108 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.248 9.929 0.367 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.285 9.296 -4.395 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.554 9.038 -5.634 1.00 0.59 C ATOM 1786 C ASN A 129 -6.409 10.292 -6.492 1.00 0.65 C ATOM 1787 O ASN A 129 -5.344 10.552 -7.048 1.00 0.78 O ATOM 1788 CB ASN A 129 -7.254 7.947 -6.448 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.946 6.546 -5.953 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.986 5.911 -6.396 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -7.771 6.044 -5.047 1.00 0.89 N ATOM 0 H ASN A 129 -8.087 9.919 -4.493 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.555 8.708 -5.349 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -8.331 8.110 -6.412 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.953 8.031 -7.492 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -7.624 5.100 -4.691 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -8.554 6.602 -4.706 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.478 11.067 -6.605 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.455 12.275 -7.421 1.00 0.74 C ATOM 1800 C ASN A 130 -7.470 13.518 -6.550 1.00 0.80 C ATOM 1801 O ASN A 130 -8.135 13.497 -5.493 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.644 12.288 -8.385 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.243 11.951 -9.809 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -8.084 12.836 -10.652 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.067 10.667 -10.086 1.00 1.09 N ATOM 0 H ASN A 130 -8.369 10.883 -6.144 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.532 12.276 -8.001 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.392 11.573 -8.043 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -9.112 13.272 -8.366 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -7.790 10.381 -11.025 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.209 9.965 -9.360 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.661 -7.596 7.845 1.00 1.24 N ATOM 1814 CA ALA B 26 36.662 -6.925 8.711 1.00 1.15 C ATOM 1815 C ALA B 26 35.254 -7.154 8.172 1.00 1.06 C ATOM 1816 O ALA B 26 34.897 -6.627 7.116 1.00 1.08 O ATOM 1817 CB ALA B 26 36.951 -5.432 8.813 1.00 1.27 C ATOM 0 HA ALA B 26 36.731 -7.357 9.709 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.206 -4.960 9.453 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.943 -5.282 9.239 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.911 -4.985 7.820 1.00 1.27 H new ATOM 1825 N PRO B 27 34.435 -7.945 8.884 1.00 1.03 N ATOM 1826 CA PRO B 27 33.064 -8.235 8.462 1.00 0.98 C ATOM 1827 C PRO B 27 32.172 -6.999 8.498 1.00 0.96 C ATOM 1828 O PRO B 27 32.014 -6.353 9.535 1.00 1.05 O ATOM 1829 CB PRO B 27 32.584 -9.277 9.474 1.00 1.03 C ATOM 1830 CG PRO B 27 33.456 -9.105 10.665 1.00 1.15 C ATOM 1831 CD PRO B 27 34.781 -8.621 10.150 1.00 1.12 C ATOM 0 HA PRO B 27 33.024 -8.582 7.430 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.536 -9.122 9.729 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.668 -10.285 9.069 1.00 1.03 H new ATOM 0 HG2 PRO B 27 33.024 -8.387 11.363 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.568 -10.046 11.204 1.00 1.15 H new ATOM 0 HD2 PRO B 27 35.259 -7.938 10.852 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.474 -9.447 9.987 1.00 1.12 H new ATOM 1839 N ALA B 28 31.591 -6.675 7.351 1.00 0.95 N ATOM 1840 CA ALA B 28 30.711 -5.521 7.234 1.00 0.96 C ATOM 1841 C ALA B 28 29.260 -5.965 7.134 1.00 0.90 C ATOM 1842 O ALA B 28 28.375 -5.165 6.824 1.00 0.88 O ATOM 1843 CB ALA B 28 31.098 -4.687 6.026 1.00 1.04 C ATOM 0 H ALA B 28 31.714 -7.198 6.484 1.00 0.95 H new ATOM 0 HA ALA B 28 30.820 -4.908 8.129 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.433 -3.827 5.949 1.00 1.04 H new ATOM 0 HB2 ALA B 28 32.126 -4.342 6.136 1.00 1.04 H new ATOM 0 HB3 ALA B 28 31.014 -5.293 5.124 1.00 1.04 H new ATOM 1849 N GLU B 29 29.040 -7.250 7.415 1.00 0.93 N ATOM 1850 CA GLU B 29 27.719 -7.869 7.363 1.00 0.90 C ATOM 1851 C GLU B 29 27.198 -7.909 5.929 1.00 0.85 C ATOM 1852 O GLU B 29 26.682 -6.916 5.410 1.00 0.82 O ATOM 1853 CB GLU B 29 26.720 -7.149 8.278 1.00 0.91 C ATOM 1854 CG GLU B 29 26.956 -7.408 9.759 1.00 1.14 C ATOM 1855 CD GLU B 29 25.730 -7.130 10.605 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.744 -7.894 10.500 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.745 -6.155 11.391 1.00 1.30 O ATOM 0 H GLU B 29 29.782 -7.895 7.687 1.00 0.93 H new ATOM 0 HA GLU B 29 27.822 -8.892 7.726 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.777 -6.077 8.092 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.709 -7.465 8.019 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.260 -8.445 9.898 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.780 -6.785 10.106 1.00 1.14 H new ATOM 1864 N PRO B 30 27.309 -9.076 5.272 1.00 0.88 N ATOM 1865 CA PRO B 30 26.867 -9.253 3.888 1.00 0.88 C ATOM 1866 C PRO B 30 25.352 -9.428 3.785 1.00 0.82 C ATOM 1867 O PRO B 30 24.862 -10.259 3.021 1.00 0.85 O ATOM 1868 CB PRO B 30 27.589 -10.529 3.462 1.00 1.00 C ATOM 1869 CG PRO B 30 27.738 -11.322 4.713 1.00 1.07 C ATOM 1870 CD PRO B 30 27.863 -10.325 5.837 1.00 0.98 C ATOM 0 HA PRO B 30 27.092 -8.389 3.263 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.016 -11.076 2.714 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.559 -10.305 3.019 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.877 -11.973 4.865 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.618 -11.964 4.664 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.307 -10.645 6.718 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.901 -10.198 6.144 1.00 0.98 H new ATOM 1878 N LYS B 31 24.619 -8.644 4.565 1.00 0.78 N ATOM 1879 CA LYS B 31 23.165 -8.701 4.565 1.00 0.74 C ATOM 1880 C LYS B 31 22.606 -7.613 3.662 1.00 0.69 C ATOM 1881 O LYS B 31 22.701 -6.429 3.976 1.00 0.73 O ATOM 1882 CB LYS B 31 22.621 -8.531 5.988 1.00 0.76 C ATOM 1883 CG LYS B 31 22.949 -9.690 6.919 1.00 0.92 C ATOM 1884 CD LYS B 31 21.800 -10.686 7.011 1.00 1.11 C ATOM 1885 CE LYS B 31 21.628 -11.477 5.727 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.686 -12.609 5.898 1.00 1.45 N ATOM 0 H LYS B 31 25.012 -7.957 5.209 1.00 0.78 H new ATOM 0 HA LYS B 31 22.854 -9.675 4.189 1.00 0.74 H new ATOM 0 HB2 LYS B 31 23.024 -7.612 6.413 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.539 -8.412 5.940 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.844 -10.200 6.563 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.176 -9.304 7.913 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.981 -11.373 7.838 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.876 -10.153 7.235 1.00 1.11 H new ATOM 0 HE2 LYS B 31 21.264 -10.817 4.940 1.00 1.32 H new ATOM 0 HE3 LYS B 31 22.597 -11.856 5.402 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.596 -13.124 4.999 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.046 -13.253 6.631 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.754 -12.245 6.184 1.00 1.45 H new ATOM 1900 N ILE B 32 22.037 -8.016 2.538 1.00 0.68 N ATOM 1901 CA ILE B 32 21.479 -7.066 1.587 1.00 0.66 C ATOM 1902 C ILE B 32 19.978 -7.282 1.425 1.00 0.62 C ATOM 1903 O ILE B 32 19.534 -8.379 1.083 1.00 0.67 O ATOM 1904 CB ILE B 32 22.179 -7.179 0.210 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.653 -6.768 0.317 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.469 -6.332 -0.835 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.607 -7.937 0.479 1.00 1.20 C ATOM 0 H ILE B 32 21.949 -8.994 2.261 1.00 0.68 H new ATOM 0 HA ILE B 32 21.651 -6.065 1.982 1.00 0.66 H new ATOM 0 HB ILE B 32 22.130 -8.221 -0.105 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.929 -6.207 -0.576 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.772 -6.095 1.166 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.981 -6.430 -1.792 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.438 -6.671 -0.939 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.478 -5.287 -0.524 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.629 -7.565 0.548 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.359 -8.486 1.387 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.519 -8.600 -0.381 1.00 1.20 H new ATOM 1919 N ILE B 33 19.201 -6.231 1.683 1.00 0.58 N ATOM 1920 CA ILE B 33 17.749 -6.300 1.569 1.00 0.56 C ATOM 1921 C ILE B 33 17.290 -5.747 0.226 1.00 0.54 C ATOM 1922 O ILE B 33 18.073 -5.130 -0.501 1.00 0.60 O ATOM 1923 CB ILE B 33 17.040 -5.527 2.701 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.430 -4.048 2.673 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.377 -6.142 4.052 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.498 -3.158 3.463 1.00 0.67 C ATOM 0 H ILE B 33 19.556 -5.320 1.973 1.00 0.58 H new ATOM 0 HA ILE B 33 17.477 -7.353 1.650 1.00 0.56 H new ATOM 0 HB ILE B 33 15.964 -5.598 2.545 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.441 -3.941 3.066 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.453 -3.707 1.638 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.870 -5.587 4.841 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.048 -7.181 4.071 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.454 -6.099 4.213 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.838 -2.125 3.397 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.490 -3.235 3.056 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.493 -3.472 4.507 1.00 0.67 H new ATOM 1938 N LYS B 34 16.022 -5.961 -0.096 1.00 0.53 N ATOM 1939 CA LYS B 34 15.464 -5.492 -1.356 1.00 0.53 C ATOM 1940 C LYS B 34 14.394 -4.436 -1.122 1.00 0.48 C ATOM 1941 O LYS B 34 13.334 -4.716 -0.559 1.00 0.57 O ATOM 1942 CB LYS B 34 14.873 -6.665 -2.136 1.00 0.58 C ATOM 1943 CG LYS B 34 15.887 -7.744 -2.478 1.00 0.76 C ATOM 1944 CD LYS B 34 15.227 -8.931 -3.157 1.00 0.87 C ATOM 1945 CE LYS B 34 16.255 -9.962 -3.606 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.178 -10.344 -2.504 1.00 1.31 N ATOM 0 H LYS B 34 15.359 -6.458 0.500 1.00 0.53 H new ATOM 0 HA LYS B 34 16.269 -5.041 -1.936 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.067 -7.109 -1.552 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.430 -6.290 -3.058 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.655 -7.330 -3.132 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.388 -8.076 -1.569 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.519 -9.397 -2.471 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.656 -8.587 -4.019 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.741 -10.850 -3.973 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.832 -9.560 -4.439 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.700 -11.203 -2.770 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.851 -9.570 -2.331 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.630 -10.526 -1.639 1.00 1.31 H new ATOM 1960 N VAL B 35 14.673 -3.221 -1.552 1.00 0.44 N ATOM 1961 CA VAL B 35 13.727 -2.134 -1.397 1.00 0.41 C ATOM 1962 C VAL B 35 13.176 -1.709 -2.757 1.00 0.42 C ATOM 1963 O VAL B 35 13.883 -1.123 -3.581 1.00 0.45 O ATOM 1964 CB VAL B 35 14.356 -0.929 -0.651 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.714 -0.558 -1.226 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.419 0.268 -0.668 1.00 0.40 C ATOM 0 H VAL B 35 15.546 -2.962 -2.011 1.00 0.44 H new ATOM 0 HA VAL B 35 12.900 -2.496 -0.786 1.00 0.41 H new ATOM 0 HB VAL B 35 14.510 -1.232 0.385 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.122 0.290 -0.677 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.391 -1.408 -1.137 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.603 -0.291 -2.277 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.883 1.100 -0.139 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.220 0.560 -1.699 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.482 0.003 -0.178 1.00 0.40 H new ATOM 1976 N THR B 36 11.918 -2.043 -3.001 1.00 0.41 N ATOM 1977 CA THR B 36 11.270 -1.694 -4.249 1.00 0.43 C ATOM 1978 C THR B 36 10.656 -0.303 -4.142 1.00 0.39 C ATOM 1979 O THR B 36 9.750 -0.073 -3.341 1.00 0.40 O ATOM 1980 CB THR B 36 10.186 -2.726 -4.609 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.528 -4.007 -4.055 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.037 -2.849 -6.115 1.00 0.57 C ATOM 0 H THR B 36 11.327 -2.557 -2.347 1.00 0.41 H new ATOM 0 HA THR B 36 12.019 -1.695 -5.041 1.00 0.43 H new ATOM 0 HB THR B 36 9.238 -2.387 -4.191 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.834 -4.659 -4.286 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.266 -3.584 -6.345 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.754 -1.883 -6.533 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.984 -3.169 -6.549 1.00 0.57 H new ATOM 1990 N VAL B 37 11.155 0.621 -4.944 1.00 0.41 N ATOM 1991 CA VAL B 37 10.677 1.992 -4.910 1.00 0.40 C ATOM 1992 C VAL B 37 9.715 2.288 -6.056 1.00 0.43 C ATOM 1993 O VAL B 37 10.047 2.118 -7.232 1.00 0.51 O ATOM 1994 CB VAL B 37 11.857 2.988 -4.957 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.371 4.417 -4.782 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.901 2.647 -3.901 1.00 0.46 C ATOM 0 H VAL B 37 11.892 0.447 -5.627 1.00 0.41 H new ATOM 0 HA VAL B 37 10.138 2.115 -3.971 1.00 0.40 H new ATOM 0 HB VAL B 37 12.323 2.904 -5.939 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.222 5.098 -4.819 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.673 4.664 -5.582 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.869 4.515 -3.819 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.721 3.363 -3.955 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.446 2.691 -2.912 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.284 1.642 -4.079 1.00 0.46 H new ATOM 2006 N LYS B 38 8.512 2.712 -5.696 1.00 0.41 N ATOM 2007 CA LYS B 38 7.494 3.065 -6.669 1.00 0.46 C ATOM 2008 C LYS B 38 7.621 4.538 -7.006 1.00 0.50 C ATOM 2009 O LYS B 38 7.479 5.395 -6.131 1.00 0.63 O ATOM 2010 CB LYS B 38 6.094 2.776 -6.126 1.00 0.51 C ATOM 2011 CG LYS B 38 5.878 1.321 -5.761 1.00 0.65 C ATOM 2012 CD LYS B 38 4.649 1.140 -4.888 1.00 0.80 C ATOM 2013 CE LYS B 38 3.372 1.510 -5.625 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.157 1.131 -4.858 1.00 1.38 N ATOM 0 H LYS B 38 8.217 2.820 -4.725 1.00 0.41 H new ATOM 0 HA LYS B 38 7.640 2.463 -7.566 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.920 3.394 -5.245 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.355 3.069 -6.872 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.769 0.730 -6.670 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.756 0.942 -5.237 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.589 0.104 -4.555 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.744 1.757 -3.994 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.361 2.583 -5.815 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.357 1.015 -6.596 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.318 1.548 -5.309 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.064 0.095 -4.844 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.238 1.484 -3.883 1.00 1.38 H new ATOM 2028 N THR B 39 7.867 4.825 -8.267 1.00 0.55 N ATOM 2029 CA THR B 39 8.041 6.195 -8.713 1.00 0.60 C ATOM 2030 C THR B 39 7.046 6.519 -9.814 1.00 0.65 C ATOM 2031 O THR B 39 6.458 5.603 -10.396 1.00 0.67 O ATOM 2032 CB THR B 39 9.479 6.421 -9.244 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.859 5.351 -10.126 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.475 6.514 -8.096 1.00 0.68 C ATOM 0 H THR B 39 7.952 4.126 -9.005 1.00 0.55 H new ATOM 0 HA THR B 39 7.869 6.851 -7.860 1.00 0.60 H new ATOM 0 HB THR B 39 9.490 7.363 -9.793 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.105 4.734 -10.236 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.477 6.673 -8.495 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.206 7.348 -7.448 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.456 5.588 -7.522 1.00 0.68 H new ATOM 2042 N PRO B 40 6.814 7.811 -10.096 1.00 0.71 N ATOM 2043 CA PRO B 40 5.917 8.231 -11.176 1.00 0.78 C ATOM 2044 C PRO B 40 6.569 7.966 -12.530 1.00 0.81 C ATOM 2045 O PRO B 40 6.656 8.848 -13.386 1.00 0.87 O ATOM 2046 CB PRO B 40 5.752 9.734 -10.937 1.00 0.83 C ATOM 2047 CG PRO B 40 6.986 10.145 -10.215 1.00 0.85 C ATOM 2048 CD PRO B 40 7.382 8.966 -9.371 1.00 0.73 C ATOM 0 HA PRO B 40 4.966 7.699 -11.182 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.646 10.274 -11.878 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.860 9.945 -10.347 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.779 10.408 -10.915 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.802 11.024 -9.597 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.465 8.887 -9.277 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.979 9.043 -8.361 1.00 0.73 H new ATOM 2056 N LYS B 41 7.013 6.730 -12.700 1.00 0.82 N ATOM 2057 CA LYS B 41 7.708 6.300 -13.902 1.00 0.87 C ATOM 2058 C LYS B 41 7.692 4.779 -13.992 1.00 0.84 C ATOM 2059 O LYS B 41 6.895 4.198 -14.730 1.00 0.92 O ATOM 2060 CB LYS B 41 9.159 6.792 -13.871 1.00 0.93 C ATOM 2061 CG LYS B 41 9.451 7.950 -14.811 1.00 1.13 C ATOM 2062 CD LYS B 41 10.801 8.579 -14.500 1.00 1.21 C ATOM 2063 CE LYS B 41 11.269 9.497 -15.616 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.585 10.124 -15.315 1.00 1.37 N ATOM 0 H LYS B 41 6.900 5.993 -12.003 1.00 0.82 H new ATOM 0 HA LYS B 41 7.203 6.721 -14.771 1.00 0.87 H new ATOM 0 HB2 LYS B 41 9.405 7.095 -12.853 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.817 5.961 -14.124 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.439 7.597 -15.842 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.667 8.702 -14.722 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.733 9.144 -13.570 1.00 1.21 H new ATOM 0 HD3 LYS B 41 11.540 7.793 -14.342 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.343 8.930 -16.544 1.00 1.44 H new ATOM 0 HE3 LYS B 41 10.525 10.277 -15.778 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.864 10.741 -16.104 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.510 10.687 -14.444 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 13.302 9.382 -15.186 1.00 1.37 H new ATOM 2078 N GLU B 42 8.566 4.148 -13.210 1.00 0.77 N ATOM 2079 CA GLU B 42 8.685 2.695 -13.177 1.00 0.75 C ATOM 2080 C GLU B 42 8.806 2.207 -11.736 1.00 0.70 C ATOM 2081 O GLU B 42 8.637 2.981 -10.787 1.00 0.73 O ATOM 2082 CB GLU B 42 9.906 2.235 -13.986 1.00 0.83 C ATOM 2083 CG GLU B 42 9.718 2.320 -15.492 1.00 1.03 C ATOM 2084 CD GLU B 42 10.840 1.650 -16.257 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.090 0.450 -16.027 1.00 1.28 O ATOM 2086 OE2 GLU B 42 11.468 2.315 -17.109 1.00 1.41 O ATOM 0 H GLU B 42 9.210 4.630 -12.583 1.00 0.77 H new ATOM 0 HA GLU B 42 7.787 2.268 -13.624 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.766 2.842 -13.703 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.140 1.205 -13.717 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.770 1.855 -15.763 1.00 1.03 H new ATOM 0 HG3 GLU B 42 9.656 3.367 -15.788 1.00 1.03 H new ATOM 2093 N LYS B 43 9.100 0.927 -11.582 1.00 0.68 N ATOM 2094 CA LYS B 43 9.254 0.324 -10.270 1.00 0.64 C ATOM 2095 C LYS B 43 10.628 -0.332 -10.160 1.00 0.63 C ATOM 2096 O LYS B 43 10.807 -1.495 -10.529 1.00 0.74 O ATOM 2097 CB LYS B 43 8.142 -0.701 -10.031 1.00 0.67 C ATOM 2098 CG LYS B 43 8.088 -1.227 -8.609 1.00 0.67 C ATOM 2099 CD LYS B 43 7.016 -2.294 -8.442 1.00 0.74 C ATOM 2100 CE LYS B 43 7.333 -3.540 -9.254 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.386 -4.652 -8.970 1.00 0.98 N ATOM 0 H LYS B 43 9.238 0.280 -12.358 1.00 0.68 H new ATOM 0 HA LYS B 43 9.177 1.098 -9.506 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.183 -0.246 -10.277 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.281 -1.540 -10.713 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.059 -1.641 -8.338 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.890 -0.403 -7.924 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.927 -2.559 -7.388 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.051 -1.893 -8.752 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.298 -3.298 -10.316 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.350 -3.866 -9.034 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.640 -5.480 -9.545 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.437 -4.902 -7.962 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.418 -4.352 -9.204 1.00 0.98 H new ATOM 2115 N GLU B 44 11.596 0.425 -9.667 1.00 0.59 N ATOM 2116 CA GLU B 44 12.958 -0.073 -9.528 1.00 0.60 C ATOM 2117 C GLU B 44 13.194 -0.654 -8.138 1.00 0.56 C ATOM 2118 O GLU B 44 12.628 -0.184 -7.148 1.00 0.60 O ATOM 2119 CB GLU B 44 13.962 1.051 -9.801 1.00 0.64 C ATOM 2120 CG GLU B 44 14.972 0.722 -10.886 1.00 0.81 C ATOM 2121 CD GLU B 44 14.333 0.587 -12.252 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.802 -0.500 -12.557 1.00 1.24 O ATOM 2123 OE2 GLU B 44 14.363 1.570 -13.025 1.00 1.21 O ATOM 0 H GLU B 44 11.465 1.387 -9.356 1.00 0.59 H new ATOM 0 HA GLU B 44 13.101 -0.869 -10.259 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.417 1.951 -10.086 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.496 1.280 -8.879 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.732 1.503 -10.919 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.482 -0.208 -10.633 1.00 0.81 H new ATOM 2130 N GLU B 45 14.034 -1.677 -8.069 1.00 0.56 N ATOM 2131 CA GLU B 45 14.353 -2.322 -6.808 1.00 0.53 C ATOM 2132 C GLU B 45 15.822 -2.113 -6.477 1.00 0.55 C ATOM 2133 O GLU B 45 16.709 -2.544 -7.221 1.00 0.64 O ATOM 2134 CB GLU B 45 14.034 -3.812 -6.883 1.00 0.57 C ATOM 2135 CG GLU B 45 14.249 -4.550 -5.575 1.00 0.58 C ATOM 2136 CD GLU B 45 14.295 -6.047 -5.763 1.00 0.76 C ATOM 2137 OE1 GLU B 45 15.385 -6.572 -6.081 1.00 0.99 O ATOM 2138 OE2 GLU B 45 13.244 -6.703 -5.613 1.00 0.94 O ATOM 0 H GLU B 45 14.508 -2.078 -8.878 1.00 0.56 H new ATOM 0 HA GLU B 45 13.747 -1.877 -6.019 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.997 -3.937 -7.194 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.655 -4.269 -7.654 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.181 -4.214 -5.120 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.447 -4.298 -4.882 1.00 0.58 H new ATOM 2145 N PHE B 46 16.079 -1.448 -5.365 1.00 0.51 N ATOM 2146 CA PHE B 46 17.441 -1.182 -4.946 1.00 0.54 C ATOM 2147 C PHE B 46 17.895 -2.189 -3.903 1.00 0.54 C ATOM 2148 O PHE B 46 17.098 -2.671 -3.095 1.00 0.54 O ATOM 2149 CB PHE B 46 17.573 0.240 -4.397 1.00 0.53 C ATOM 2150 CG PHE B 46 17.592 1.300 -5.460 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.630 1.359 -6.377 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.575 2.236 -5.542 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.652 2.332 -7.357 1.00 0.90 C ATOM 2154 CE2 PHE B 46 16.592 3.211 -6.519 1.00 0.85 C ATOM 2155 CZ PHE B 46 17.631 3.259 -7.429 1.00 0.87 C ATOM 0 H PHE B 46 15.363 -1.083 -4.737 1.00 0.51 H new ATOM 0 HA PHE B 46 18.083 -1.278 -5.822 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.744 0.435 -3.717 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.489 0.310 -3.811 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.431 0.636 -6.324 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.760 2.203 -4.834 1.00 0.72 H new ATOM 0 HE1 PHE B 46 19.466 2.368 -8.066 1.00 0.90 H new ATOM 0 HE2 PHE B 46 15.793 3.936 -6.572 1.00 0.85 H new ATOM 0 HZ PHE B 46 17.644 4.020 -8.195 1.00 0.87 H new ATOM 2165 N ALA B 47 19.170 -2.514 -3.939 1.00 0.57 N ATOM 2166 CA ALA B 47 19.750 -3.451 -2.998 1.00 0.60 C ATOM 2167 C ALA B 47 20.687 -2.719 -2.050 1.00 0.60 C ATOM 2168 O ALA B 47 21.748 -2.234 -2.456 1.00 0.66 O ATOM 2169 CB ALA B 47 20.485 -4.551 -3.744 1.00 0.69 C ATOM 0 H ALA B 47 19.832 -2.138 -4.618 1.00 0.57 H new ATOM 0 HA ALA B 47 18.955 -3.910 -2.410 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.917 -5.250 -3.028 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.787 -5.081 -4.392 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.279 -4.113 -4.348 1.00 0.69 H new ATOM 2175 N VAL B 48 20.286 -2.620 -0.791 1.00 0.57 N ATOM 2176 CA VAL B 48 21.083 -1.927 0.212 1.00 0.59 C ATOM 2177 C VAL B 48 21.377 -2.840 1.399 1.00 0.58 C ATOM 2178 O VAL B 48 20.617 -3.772 1.677 1.00 0.57 O ATOM 2179 CB VAL B 48 20.381 -0.639 0.713 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.457 0.457 -0.340 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.936 -0.920 1.098 1.00 0.56 C ATOM 0 H VAL B 48 19.412 -3.011 -0.439 1.00 0.57 H new ATOM 0 HA VAL B 48 22.021 -1.645 -0.267 1.00 0.59 H new ATOM 0 HB VAL B 48 20.904 -0.293 1.605 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.959 1.353 0.031 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.501 0.685 -0.553 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.965 0.120 -1.252 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.467 0.000 1.446 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.395 -1.298 0.230 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.910 -1.664 1.894 1.00 0.56 H new ATOM 2191 N PRO B 49 22.497 -2.600 2.101 1.00 0.62 N ATOM 2192 CA PRO B 49 22.895 -3.400 3.259 1.00 0.63 C ATOM 2193 C PRO B 49 21.994 -3.173 4.471 1.00 0.60 C ATOM 2194 O PRO B 49 21.405 -2.103 4.639 1.00 0.61 O ATOM 2195 CB PRO B 49 24.323 -2.926 3.562 1.00 0.69 C ATOM 2196 CG PRO B 49 24.740 -2.123 2.381 1.00 0.79 C ATOM 2197 CD PRO B 49 23.479 -1.544 1.817 1.00 0.67 C ATOM 0 HA PRO B 49 22.822 -4.467 3.047 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.352 -2.327 4.472 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.992 -3.773 3.716 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.437 -1.336 2.669 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.248 -2.745 1.645 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.214 -0.602 2.297 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.565 -1.345 0.749 1.00 0.67 H new ATOM 2205 N GLU B 50 21.928 -4.185 5.323 1.00 0.61 N ATOM 2206 CA GLU B 50 21.103 -4.150 6.530 1.00 0.61 C ATOM 2207 C GLU B 50 21.708 -3.245 7.606 1.00 0.67 C ATOM 2208 O GLU B 50 21.126 -3.063 8.675 1.00 1.01 O ATOM 2209 CB GLU B 50 20.942 -5.570 7.075 1.00 0.68 C ATOM 2210 CG GLU B 50 19.621 -5.829 7.780 1.00 0.86 C ATOM 2211 CD GLU B 50 19.391 -7.303 8.026 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.938 -7.841 9.016 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.671 -7.938 7.224 1.00 1.08 O ATOM 0 H GLU B 50 22.444 -5.056 5.200 1.00 0.61 H new ATOM 0 HA GLU B 50 20.130 -3.738 6.263 1.00 0.61 H new ATOM 0 HB2 GLU B 50 21.044 -6.276 6.250 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.756 -5.773 7.771 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.607 -5.296 8.731 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.804 -5.430 7.178 1.00 0.86 H new ATOM 2220 N ASN B 51 22.879 -2.690 7.327 1.00 0.67 N ATOM 2221 CA ASN B 51 23.555 -1.808 8.274 1.00 0.69 C ATOM 2222 C ASN B 51 23.661 -0.391 7.719 1.00 0.71 C ATOM 2223 O ASN B 51 24.408 0.439 8.238 1.00 0.96 O ATOM 2224 CB ASN B 51 24.953 -2.341 8.608 1.00 0.76 C ATOM 2225 CG ASN B 51 25.924 -2.208 7.448 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.630 -2.617 6.326 1.00 0.87 O ATOM 2227 ND2 ASN B 51 27.085 -1.627 7.706 1.00 1.20 N ATOM 0 H ASN B 51 23.383 -2.834 6.452 1.00 0.67 H new ATOM 0 HA ASN B 51 22.960 -1.782 9.187 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.347 -1.802 9.470 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.878 -3.390 8.895 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.771 -1.506 6.961 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.293 -1.300 8.650 1.00 1.20 H new ATOM 2234 N SER B 52 22.904 -0.110 6.671 1.00 0.65 N ATOM 2235 CA SER B 52 22.928 1.205 6.050 1.00 0.67 C ATOM 2236 C SER B 52 21.840 2.101 6.642 1.00 0.63 C ATOM 2237 O SER B 52 20.889 1.617 7.264 1.00 0.68 O ATOM 2238 CB SER B 52 22.745 1.078 4.533 1.00 0.71 C ATOM 2239 OG SER B 52 23.247 2.218 3.853 1.00 0.86 O ATOM 0 H SER B 52 22.266 -0.774 6.232 1.00 0.65 H new ATOM 0 HA SER B 52 23.897 1.663 6.250 1.00 0.67 H new ATOM 0 HB2 SER B 52 23.258 0.185 4.177 1.00 0.71 H new ATOM 0 HB3 SER B 52 21.687 0.951 4.302 1.00 0.71 H new ATOM 0 HG SER B 52 23.118 2.107 2.888 1.00 0.86 H new ATOM 2245 N SER B 53 21.996 3.404 6.460 1.00 0.65 N ATOM 2246 CA SER B 53 21.033 4.371 6.958 1.00 0.64 C ATOM 2247 C SER B 53 20.122 4.831 5.822 1.00 0.57 C ATOM 2248 O SER B 53 20.228 4.345 4.694 1.00 0.58 O ATOM 2249 CB SER B 53 21.763 5.564 7.574 1.00 0.75 C ATOM 2250 OG SER B 53 22.922 5.141 8.276 1.00 0.89 O ATOM 0 H SER B 53 22.788 3.817 5.967 1.00 0.65 H new ATOM 0 HA SER B 53 20.420 3.902 7.728 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.044 6.268 6.790 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.095 6.093 8.253 1.00 0.75 H new ATOM 0 HG SER B 53 23.374 5.921 8.660 1.00 0.89 H new ATOM 2256 N VAL B 54 19.233 5.769 6.111 1.00 0.54 N ATOM 2257 CA VAL B 54 18.309 6.268 5.102 1.00 0.49 C ATOM 2258 C VAL B 54 18.893 7.475 4.377 1.00 0.48 C ATOM 2259 O VAL B 54 18.593 7.706 3.207 1.00 0.47 O ATOM 2260 CB VAL B 54 16.950 6.657 5.714 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.873 6.708 4.639 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.561 5.691 6.823 1.00 0.58 C ATOM 0 H VAL B 54 19.131 6.199 7.030 1.00 0.54 H new ATOM 0 HA VAL B 54 18.152 5.456 4.391 1.00 0.49 H new ATOM 0 HB VAL B 54 17.044 7.652 6.150 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.920 6.984 5.091 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.145 7.447 3.886 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.781 5.729 4.169 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.598 5.985 7.241 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.488 4.682 6.417 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.318 5.713 7.607 1.00 0.58 H new ATOM 2272 N GLN B 55 19.736 8.235 5.071 1.00 0.53 N ATOM 2273 CA GLN B 55 20.358 9.420 4.484 1.00 0.58 C ATOM 2274 C GLN B 55 21.140 9.054 3.225 1.00 0.58 C ATOM 2275 O GLN B 55 20.968 9.675 2.176 1.00 0.64 O ATOM 2276 CB GLN B 55 21.284 10.101 5.494 1.00 0.67 C ATOM 2277 CG GLN B 55 21.114 11.613 5.546 1.00 0.88 C ATOM 2278 CD GLN B 55 22.178 12.293 6.386 1.00 0.92 C ATOM 2279 OE1 GLN B 55 23.315 11.829 6.467 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.814 13.397 7.018 1.00 1.23 N ATOM 0 H GLN B 55 20.004 8.053 6.038 1.00 0.53 H new ATOM 0 HA GLN B 55 19.564 10.115 4.212 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.096 9.687 6.485 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.319 9.868 5.242 1.00 0.67 H new ATOM 0 HG2 GLN B 55 21.146 12.013 4.533 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.130 11.850 5.951 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.861 13.748 6.924 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.487 13.897 7.599 1.00 1.23 H new ATOM 2289 N GLN B 56 21.990 8.039 3.334 1.00 0.56 N ATOM 2290 CA GLN B 56 22.780 7.581 2.196 1.00 0.60 C ATOM 2291 C GLN B 56 21.867 7.000 1.118 1.00 0.55 C ATOM 2292 O GLN B 56 22.142 7.122 -0.074 1.00 0.62 O ATOM 2293 CB GLN B 56 23.805 6.537 2.642 1.00 0.65 C ATOM 2294 CG GLN B 56 24.744 6.085 1.530 1.00 0.80 C ATOM 2295 CD GLN B 56 26.021 5.464 2.058 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.107 4.250 2.255 1.00 1.35 O ATOM 2297 NE2 GLN B 56 27.028 6.292 2.287 1.00 1.27 N ATOM 0 H GLN B 56 22.150 7.518 4.196 1.00 0.56 H new ATOM 0 HA GLN B 56 23.314 8.435 1.779 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.397 6.948 3.460 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.278 5.668 3.035 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.229 5.363 0.896 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.994 6.940 0.901 1.00 0.80 H new ATOM 0 HE21 GLN B 56 26.917 7.291 2.111 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.915 5.931 2.639 1.00 1.27 H new ATOM 2306 N PHE B 57 20.777 6.375 1.554 1.00 0.50 N ATOM 2307 CA PHE B 57 19.811 5.778 0.638 1.00 0.49 C ATOM 2308 C PHE B 57 19.172 6.856 -0.238 1.00 0.47 C ATOM 2309 O PHE B 57 19.044 6.687 -1.451 1.00 0.49 O ATOM 2310 CB PHE B 57 18.737 5.020 1.428 1.00 0.48 C ATOM 2311 CG PHE B 57 17.675 4.385 0.573 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.019 3.533 -0.466 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.334 4.637 0.814 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.047 2.945 -1.249 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.356 4.052 0.032 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.713 3.205 -1.000 1.00 0.64 C ATOM 0 H PHE B 57 20.540 6.269 2.540 1.00 0.50 H new ATOM 0 HA PHE B 57 20.330 5.072 -0.011 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.219 4.245 2.024 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.262 5.709 2.126 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.060 3.327 -0.665 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.050 5.297 1.621 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.328 2.283 -2.055 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.314 4.257 0.227 1.00 0.59 H new ATOM 0 HZ PHE B 57 14.950 2.747 -1.611 1.00 0.64 H new ATOM 2326 N LYS B 58 18.786 7.967 0.385 1.00 0.47 N ATOM 2327 CA LYS B 58 18.178 9.082 -0.337 1.00 0.48 C ATOM 2328 C LYS B 58 19.148 9.618 -1.381 1.00 0.49 C ATOM 2329 O LYS B 58 18.788 9.804 -2.543 1.00 0.53 O ATOM 2330 CB LYS B 58 17.794 10.210 0.631 1.00 0.53 C ATOM 2331 CG LYS B 58 16.748 9.816 1.666 1.00 0.62 C ATOM 2332 CD LYS B 58 16.648 10.848 2.783 1.00 0.70 C ATOM 2333 CE LYS B 58 15.883 12.090 2.342 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.071 13.229 3.282 1.00 1.01 N ATOM 0 H LYS B 58 18.884 8.119 1.389 1.00 0.47 H new ATOM 0 HA LYS B 58 17.276 8.719 -0.830 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.691 10.550 1.149 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.418 11.056 0.055 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.778 9.709 1.181 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.002 8.844 2.089 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.151 10.403 3.645 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.650 11.134 3.104 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.214 12.384 1.346 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.822 11.854 2.268 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.547 14.057 2.934 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 15.716 12.965 4.223 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.082 13.462 3.347 1.00 1.01 H new ATOM 2348 N GLU B 59 20.386 9.839 -0.953 1.00 0.51 N ATOM 2349 CA GLU B 59 21.435 10.352 -1.833 1.00 0.56 C ATOM 2350 C GLU B 59 21.702 9.383 -2.983 1.00 0.57 C ATOM 2351 O GLU B 59 21.932 9.799 -4.122 1.00 0.65 O ATOM 2352 CB GLU B 59 22.716 10.576 -1.029 1.00 0.63 C ATOM 2353 CG GLU B 59 23.735 11.468 -1.724 1.00 1.06 C ATOM 2354 CD GLU B 59 25.003 11.644 -0.911 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.931 10.817 -1.059 1.00 1.30 O ATOM 2356 OE2 GLU B 59 25.080 12.605 -0.118 1.00 1.14 O ATOM 0 H GLU B 59 20.691 9.670 0.005 1.00 0.51 H new ATOM 0 HA GLU B 59 21.101 11.299 -2.256 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.457 11.019 -0.067 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.176 9.610 -0.821 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.986 11.040 -2.694 1.00 1.06 H new ATOM 0 HG3 GLU B 59 23.289 12.445 -1.912 1.00 1.06 H new ATOM 2363 N ALA B 60 21.665 8.091 -2.681 1.00 0.55 N ATOM 2364 CA ALA B 60 21.892 7.060 -3.685 1.00 0.57 C ATOM 2365 C ALA B 60 20.851 7.150 -4.797 1.00 0.56 C ATOM 2366 O ALA B 60 21.175 7.024 -5.977 1.00 0.59 O ATOM 2367 CB ALA B 60 21.865 5.684 -3.040 1.00 0.59 C ATOM 0 H ALA B 60 21.479 7.732 -1.745 1.00 0.55 H new ATOM 0 HA ALA B 60 22.875 7.219 -4.127 1.00 0.57 H new ATOM 0 HB1 ALA B 60 22.036 4.922 -3.801 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.646 5.622 -2.282 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.894 5.520 -2.574 1.00 0.59 H new ATOM 2373 N ILE B 61 19.601 7.391 -4.417 1.00 0.52 N ATOM 2374 CA ILE B 61 18.520 7.503 -5.389 1.00 0.52 C ATOM 2375 C ILE B 61 18.708 8.748 -6.257 1.00 0.55 C ATOM 2376 O ILE B 61 18.381 8.744 -7.446 1.00 0.59 O ATOM 2377 CB ILE B 61 17.138 7.549 -4.699 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.932 6.293 -3.847 1.00 0.51 C ATOM 2379 CG2 ILE B 61 16.025 7.677 -5.733 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.645 6.305 -3.051 1.00 0.56 C ATOM 0 H ILE B 61 19.312 7.512 -3.446 1.00 0.52 H new ATOM 0 HA ILE B 61 18.555 6.615 -6.020 1.00 0.52 H new ATOM 0 HB ILE B 61 17.104 8.424 -4.050 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.939 5.418 -4.497 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.773 6.187 -3.161 1.00 0.51 H new ATOM 0 HG21 ILE B 61 15.060 7.708 -5.227 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.164 8.594 -6.305 1.00 0.52 H new ATOM 0 HG23 ILE B 61 16.054 6.821 -6.407 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.567 5.385 -2.472 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.643 7.160 -2.375 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.797 6.379 -3.732 1.00 0.56 H new ATOM 2392 N SER B 62 19.261 9.800 -5.667 1.00 0.55 N ATOM 2393 CA SER B 62 19.502 11.044 -6.389 1.00 0.59 C ATOM 2394 C SER B 62 20.581 10.856 -7.453 1.00 0.63 C ATOM 2395 O SER B 62 20.601 11.559 -8.460 1.00 0.70 O ATOM 2396 CB SER B 62 19.926 12.140 -5.418 1.00 0.61 C ATOM 2397 OG SER B 62 19.082 12.165 -4.279 1.00 0.70 O ATOM 0 H SER B 62 19.552 9.817 -4.689 1.00 0.55 H new ATOM 0 HA SER B 62 18.574 11.335 -6.882 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.958 11.976 -5.107 1.00 0.61 H new ATOM 0 HB3 SER B 62 19.894 13.107 -5.920 1.00 0.61 H new ATOM 0 HG SER B 62 18.149 12.259 -4.565 1.00 0.70 H new ATOM 2403 N LYS B 63 21.469 9.901 -7.226 1.00 0.63 N ATOM 2404 CA LYS B 63 22.550 9.629 -8.165 1.00 0.69 C ATOM 2405 C LYS B 63 22.102 8.649 -9.249 1.00 0.71 C ATOM 2406 O LYS B 63 22.578 8.701 -10.382 1.00 0.82 O ATOM 2407 CB LYS B 63 23.762 9.067 -7.415 1.00 0.72 C ATOM 2408 CG LYS B 63 25.106 9.471 -8.013 1.00 0.84 C ATOM 2409 CD LYS B 63 25.395 10.947 -7.792 1.00 1.00 C ATOM 2410 CE LYS B 63 26.865 11.271 -8.008 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.253 11.215 -9.443 1.00 1.28 N ATOM 0 H LYS B 63 21.464 9.301 -6.401 1.00 0.63 H new ATOM 0 HA LYS B 63 22.828 10.565 -8.649 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.722 9.402 -6.379 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.695 7.979 -7.401 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.899 8.873 -7.564 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.109 9.255 -9.081 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.787 11.543 -8.473 1.00 1.00 H new ATOM 0 HD3 LYS B 63 25.106 11.227 -6.779 1.00 1.00 H new ATOM 0 HE2 LYS B 63 27.076 12.266 -7.616 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.476 10.568 -7.441 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.263 11.443 -9.539 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.077 10.259 -9.813 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.690 11.904 -9.982 1.00 1.28 H new ATOM 2425 N ARG B 64 21.184 7.759 -8.898 1.00 0.67 N ATOM 2426 CA ARG B 64 20.687 6.767 -9.845 1.00 0.70 C ATOM 2427 C ARG B 64 19.523 7.314 -10.674 1.00 0.70 C ATOM 2428 O ARG B 64 19.574 7.320 -11.907 1.00 0.75 O ATOM 2429 CB ARG B 64 20.249 5.497 -9.107 1.00 0.70 C ATOM 2430 CG ARG B 64 21.360 4.816 -8.317 1.00 0.72 C ATOM 2431 CD ARG B 64 22.394 4.167 -9.227 1.00 0.81 C ATOM 2432 NE ARG B 64 23.411 5.114 -9.683 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.574 5.320 -9.063 1.00 0.95 C ATOM 2434 NH1 ARG B 64 24.877 4.651 -7.957 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.439 6.201 -9.557 1.00 1.07 N ATOM 0 H ARG B 64 20.769 7.702 -7.968 1.00 0.67 H new ATOM 0 HA ARG B 64 21.503 6.525 -10.526 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.436 5.749 -8.426 1.00 0.70 H new ATOM 0 HB3 ARG B 64 19.849 4.789 -9.833 1.00 0.70 H new ATOM 0 HG2 ARG B 64 21.850 5.549 -7.676 1.00 0.72 H new ATOM 0 HG3 ARG B 64 20.928 4.059 -7.663 1.00 0.72 H new ATOM 0 HD2 ARG B 64 22.878 3.347 -8.696 1.00 0.81 H new ATOM 0 HD3 ARG B 64 21.891 3.734 -10.092 1.00 0.81 H new ATOM 0 HE ARG B 64 23.219 5.651 -10.529 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.218 3.973 -7.575 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.769 4.815 -7.490 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.212 6.717 -10.407 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.329 6.361 -9.086 1.00 1.07 H new ATOM 2449 N PHE B 65 18.482 7.777 -9.997 1.00 0.67 N ATOM 2450 CA PHE B 65 17.308 8.313 -10.675 1.00 0.68 C ATOM 2451 C PHE B 65 17.545 9.746 -11.129 1.00 0.70 C ATOM 2452 O PHE B 65 17.092 10.147 -12.204 1.00 0.75 O ATOM 2453 CB PHE B 65 16.087 8.258 -9.753 1.00 0.66 C ATOM 2454 CG PHE B 65 15.230 7.044 -9.965 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.533 5.846 -9.336 1.00 0.88 C ATOM 2456 CD2 PHE B 65 14.117 7.101 -10.789 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.742 4.730 -9.527 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.323 5.987 -10.984 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.637 4.800 -10.349 1.00 1.00 C ATOM 0 H PHE B 65 18.425 7.793 -8.979 1.00 0.67 H new ATOM 0 HA PHE B 65 17.121 7.697 -11.555 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.423 8.279 -8.716 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.483 9.151 -9.910 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.396 5.785 -8.690 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.867 8.027 -11.285 1.00 0.82 H new ATOM 0 HE1 PHE B 65 14.989 3.802 -9.032 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.460 6.044 -11.631 1.00 0.97 H new ATOM 0 HZ PHE B 65 13.017 3.928 -10.497 1.00 1.00 H new ATOM 2469 N LYS B 66 18.257 10.509 -10.296 1.00 0.68 N ATOM 2470 CA LYS B 66 18.571 11.907 -10.583 1.00 0.71 C ATOM 2471 C LYS B 66 17.301 12.754 -10.627 1.00 0.70 C ATOM 2472 O LYS B 66 16.747 13.018 -11.696 1.00 0.83 O ATOM 2473 CB LYS B 66 19.353 12.024 -11.899 1.00 0.79 C ATOM 2474 CG LYS B 66 19.784 13.443 -12.244 1.00 0.93 C ATOM 2475 CD LYS B 66 20.508 13.500 -13.579 1.00 1.05 C ATOM 2476 CE LYS B 66 19.604 13.086 -14.732 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.333 13.073 -16.026 1.00 1.27 N ATOM 0 H LYS B 66 18.630 10.175 -9.407 1.00 0.68 H new ATOM 0 HA LYS B 66 19.199 12.288 -9.777 1.00 0.71 H new ATOM 0 HB2 LYS B 66 20.239 11.391 -11.840 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.737 11.636 -12.710 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.909 14.092 -12.276 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.436 13.827 -11.459 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.875 14.512 -13.750 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.379 12.846 -13.548 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.194 12.095 -14.535 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.760 13.773 -14.797 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.685 12.786 -16.787 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.702 14.024 -16.226 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.123 12.399 -15.972 1.00 1.27 H new ATOM 2491 N SER B 67 16.816 13.144 -9.455 1.00 0.66 N ATOM 2492 CA SER B 67 15.614 13.964 -9.356 1.00 0.68 C ATOM 2493 C SER B 67 15.714 14.939 -8.177 1.00 0.69 C ATOM 2494 O SER B 67 15.748 16.153 -8.376 1.00 0.90 O ATOM 2495 CB SER B 67 14.373 13.074 -9.217 1.00 0.68 C ATOM 2496 OG SER B 67 14.366 12.053 -10.206 1.00 1.34 O ATOM 0 H SER B 67 17.237 12.905 -8.557 1.00 0.66 H new ATOM 0 HA SER B 67 15.521 14.549 -10.271 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.353 12.624 -8.224 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.473 13.682 -9.310 1.00 0.68 H new ATOM 0 HG SER B 67 13.566 11.497 -10.097 1.00 1.34 H new ATOM 2502 N GLN B 68 15.774 14.403 -6.960 1.00 0.59 N ATOM 2503 CA GLN B 68 15.870 15.222 -5.752 1.00 0.59 C ATOM 2504 C GLN B 68 16.477 14.413 -4.609 1.00 0.54 C ATOM 2505 O GLN B 68 16.643 13.197 -4.732 1.00 0.52 O ATOM 2506 CB GLN B 68 14.488 15.745 -5.348 1.00 0.64 C ATOM 2507 CG GLN B 68 14.229 17.183 -5.774 1.00 0.79 C ATOM 2508 CD GLN B 68 12.752 17.509 -5.849 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.934 16.654 -6.181 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.401 18.748 -5.544 1.00 1.09 N ATOM 0 H GLN B 68 15.758 13.399 -6.783 1.00 0.59 H new ATOM 0 HA GLN B 68 16.518 16.073 -5.964 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.724 15.103 -5.786 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.384 15.672 -4.265 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.712 17.860 -5.069 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.686 17.358 -6.748 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.112 19.427 -5.273 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.420 19.023 -5.580 1.00 1.09 H new ATOM 2519 N THR B 69 16.813 15.082 -3.512 1.00 0.56 N ATOM 2520 CA THR B 69 17.405 14.403 -2.361 1.00 0.56 C ATOM 2521 C THR B 69 16.710 14.777 -1.050 1.00 0.54 C ATOM 2522 O THR B 69 16.210 13.908 -0.337 1.00 0.55 O ATOM 2523 CB THR B 69 18.906 14.734 -2.226 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.536 14.708 -3.515 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.598 13.744 -1.297 1.00 0.70 C ATOM 0 H THR B 69 16.688 16.087 -3.393 1.00 0.56 H new ATOM 0 HA THR B 69 17.274 13.336 -2.542 1.00 0.56 H new ATOM 0 HB THR B 69 18.996 15.733 -1.800 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.194 13.948 -4.031 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.655 13.998 -1.217 1.00 0.70 H new ATOM 0 HG22 THR B 69 19.139 13.789 -0.310 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.496 12.736 -1.699 1.00 0.70 H new ATOM 2533 N ASP B 70 16.682 16.068 -0.737 1.00 0.56 N ATOM 2534 CA ASP B 70 16.078 16.543 0.504 1.00 0.58 C ATOM 2535 C ASP B 70 14.561 16.393 0.488 1.00 0.55 C ATOM 2536 O ASP B 70 13.979 15.838 1.420 1.00 0.57 O ATOM 2537 CB ASP B 70 16.461 18.001 0.761 1.00 0.66 C ATOM 2538 CG ASP B 70 15.631 18.632 1.858 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.933 18.399 3.050 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.678 19.372 1.537 1.00 0.95 O ATOM 0 H ASP B 70 17.071 16.805 -1.325 1.00 0.56 H new ATOM 0 HA ASP B 70 16.465 15.924 1.314 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.516 18.054 1.031 1.00 0.66 H new ATOM 0 HB3 ASP B 70 16.338 18.573 -0.158 1.00 0.66 H new ATOM 2545 N GLN B 71 13.928 16.873 -0.576 1.00 0.56 N ATOM 2546 CA GLN B 71 12.475 16.793 -0.700 1.00 0.58 C ATOM 2547 C GLN B 71 12.034 15.384 -1.083 1.00 0.54 C ATOM 2548 O GLN B 71 10.841 15.092 -1.150 1.00 0.66 O ATOM 2549 CB GLN B 71 11.963 17.801 -1.731 1.00 0.65 C ATOM 2550 CG GLN B 71 11.562 19.135 -1.122 1.00 0.83 C ATOM 2551 CD GLN B 71 11.173 20.162 -2.166 1.00 0.92 C ATOM 2552 OE1 GLN B 71 10.009 20.264 -2.552 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.142 20.935 -2.629 1.00 1.18 N ATOM 0 H GLN B 71 14.395 17.321 -1.364 1.00 0.56 H new ATOM 0 HA GLN B 71 12.046 17.036 0.272 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.737 17.970 -2.479 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.105 17.374 -2.251 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.726 18.982 -0.440 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.390 19.522 -0.528 1.00 0.83 H new ATOM 0 HE21 GLN B 71 13.095 20.820 -2.284 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.936 21.646 -3.331 1.00 1.18 H new ATOM 2562 N LEU B 72 13.009 14.518 -1.329 1.00 0.51 N ATOM 2563 CA LEU B 72 12.743 13.137 -1.697 1.00 0.49 C ATOM 2564 C LEU B 72 12.311 12.354 -0.462 1.00 0.43 C ATOM 2565 O LEU B 72 13.122 12.078 0.423 1.00 0.51 O ATOM 2566 CB LEU B 72 13.995 12.506 -2.308 1.00 0.57 C ATOM 2567 CG LEU B 72 13.738 11.365 -3.289 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.303 11.916 -4.635 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.982 10.507 -3.441 1.00 1.00 C ATOM 0 H LEU B 72 14.000 14.753 -1.279 1.00 0.51 H new ATOM 0 HA LEU B 72 11.943 13.110 -2.436 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.560 13.284 -2.821 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.625 12.134 -1.500 1.00 0.57 H new ATOM 0 HG LEU B 72 12.936 10.741 -2.895 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.123 11.091 -5.325 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.387 12.493 -4.513 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.087 12.559 -5.035 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.782 9.698 -4.144 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.802 11.119 -3.816 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.255 10.087 -2.473 1.00 1.00 H new ATOM 2581 N VAL B 73 11.036 12.006 -0.398 1.00 0.37 N ATOM 2582 CA VAL B 73 10.508 11.279 0.745 1.00 0.35 C ATOM 2583 C VAL B 73 9.924 9.931 0.334 1.00 0.30 C ATOM 2584 O VAL B 73 9.213 9.829 -0.669 1.00 0.31 O ATOM 2585 CB VAL B 73 9.415 12.096 1.473 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.890 11.341 2.685 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.950 13.457 1.885 1.00 0.55 C ATOM 0 H VAL B 73 10.349 12.215 -1.122 1.00 0.37 H new ATOM 0 HA VAL B 73 11.347 11.112 1.421 1.00 0.35 H new ATOM 0 HB VAL B 73 8.587 12.245 0.780 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.123 11.936 3.180 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.462 10.391 2.365 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.709 11.154 3.380 1.00 0.46 H new ATOM 0 HG21 VAL B 73 9.166 14.017 2.396 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.799 13.326 2.556 1.00 0.55 H new ATOM 0 HG23 VAL B 73 10.269 14.006 0.999 1.00 0.55 H new ATOM 2597 N LEU B 74 10.234 8.902 1.115 1.00 0.30 N ATOM 2598 CA LEU B 74 9.722 7.566 0.864 1.00 0.29 C ATOM 2599 C LEU B 74 8.489 7.342 1.729 1.00 0.28 C ATOM 2600 O LEU B 74 8.373 7.919 2.808 1.00 0.36 O ATOM 2601 CB LEU B 74 10.784 6.501 1.174 1.00 0.33 C ATOM 2602 CG LEU B 74 11.883 6.319 0.114 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.283 6.247 -1.285 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.914 7.438 0.198 1.00 0.64 C ATOM 0 H LEU B 74 10.841 8.972 1.931 1.00 0.30 H new ATOM 0 HA LEU B 74 9.460 7.478 -0.190 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.259 6.755 2.122 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.281 5.544 1.315 1.00 0.33 H new ATOM 0 HG LEU B 74 12.389 5.375 0.317 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.081 6.118 -2.017 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.597 5.402 -1.344 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.742 7.169 -1.497 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.680 7.285 -0.562 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.424 8.397 0.032 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.377 7.433 1.185 1.00 0.64 H new ATOM 2616 N ILE B 75 7.559 6.536 1.249 1.00 0.29 N ATOM 2617 CA ILE B 75 6.334 6.264 1.986 1.00 0.33 C ATOM 2618 C ILE B 75 6.092 4.771 2.111 1.00 0.31 C ATOM 2619 O ILE B 75 6.175 4.037 1.127 1.00 0.36 O ATOM 2620 CB ILE B 75 5.112 6.900 1.293 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.293 8.416 1.143 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.840 6.583 2.065 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.454 9.151 2.456 1.00 0.74 C ATOM 0 H ILE B 75 7.627 6.057 0.351 1.00 0.29 H new ATOM 0 HA ILE B 75 6.459 6.700 2.977 1.00 0.33 H new ATOM 0 HB ILE B 75 5.026 6.473 0.294 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.168 8.607 0.522 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.432 8.824 0.614 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.987 7.039 1.563 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.701 5.503 2.109 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.920 6.980 3.077 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.577 10.217 2.264 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.569 8.993 3.072 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.333 8.773 2.979 1.00 0.74 H new ATOM 2635 N PHE B 76 5.795 4.324 3.321 1.00 0.31 N ATOM 2636 CA PHE B 76 5.516 2.919 3.561 1.00 0.35 C ATOM 2637 C PHE B 76 4.145 2.755 4.217 1.00 0.31 C ATOM 2638 O PHE B 76 4.043 2.594 5.435 1.00 0.40 O ATOM 2639 CB PHE B 76 6.606 2.276 4.423 1.00 0.48 C ATOM 2640 CG PHE B 76 6.383 0.814 4.687 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.261 -0.083 3.636 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.290 0.336 5.984 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.051 -1.429 3.875 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.081 -1.006 6.229 1.00 0.72 C ATOM 2645 CZ PHE B 76 5.961 -1.889 5.175 1.00 0.78 C ATOM 0 H PHE B 76 5.741 4.914 4.151 1.00 0.31 H new ATOM 0 HA PHE B 76 5.508 2.407 2.599 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.570 2.404 3.930 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.662 2.804 5.375 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.331 0.274 2.619 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.382 1.022 6.813 1.00 0.62 H new ATOM 0 HE1 PHE B 76 5.958 -2.118 3.049 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.011 -1.365 7.245 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.797 -2.939 5.366 1.00 0.78 H new ATOM 2655 N ALA B 77 3.096 2.862 3.399 1.00 0.40 N ATOM 2656 CA ALA B 77 1.716 2.695 3.852 1.00 0.48 C ATOM 2657 C ALA B 77 1.333 3.737 4.898 1.00 0.41 C ATOM 2658 O ALA B 77 1.312 3.450 6.095 1.00 0.44 O ATOM 2659 CB ALA B 77 1.491 1.289 4.392 1.00 0.62 C ATOM 0 H ALA B 77 3.181 3.067 2.403 1.00 0.40 H new ATOM 0 HA ALA B 77 1.070 2.844 2.987 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.458 1.188 4.723 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.693 0.561 3.607 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.161 1.111 5.233 1.00 0.62 H new ATOM 2665 N GLY B 78 1.026 4.941 4.432 1.00 0.46 N ATOM 2666 CA GLY B 78 0.638 6.019 5.324 1.00 0.54 C ATOM 2667 C GLY B 78 1.666 6.334 6.392 1.00 0.50 C ATOM 2668 O GLY B 78 1.311 6.555 7.547 1.00 0.63 O ATOM 0 H GLY B 78 1.039 5.192 3.444 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.455 6.917 4.734 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.304 5.757 5.806 1.00 0.54 H new ATOM 2672 N LYS B 79 2.936 6.353 6.019 1.00 0.42 N ATOM 2673 CA LYS B 79 3.996 6.650 6.973 1.00 0.43 C ATOM 2674 C LYS B 79 5.181 7.315 6.283 1.00 0.39 C ATOM 2675 O LYS B 79 5.680 6.817 5.273 1.00 0.43 O ATOM 2676 CB LYS B 79 4.452 5.379 7.695 1.00 0.50 C ATOM 2677 CG LYS B 79 4.464 5.512 9.210 1.00 0.72 C ATOM 2678 CD LYS B 79 3.400 6.491 9.692 1.00 1.16 C ATOM 2679 CE LYS B 79 2.082 5.790 9.987 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.998 6.750 10.329 1.00 2.02 N ATOM 0 H LYS B 79 3.258 6.168 5.069 1.00 0.42 H new ATOM 0 HA LYS B 79 3.593 7.343 7.711 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.794 4.556 7.416 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.453 5.116 7.353 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.294 4.536 9.664 1.00 0.72 H new ATOM 0 HG3 LYS B 79 5.447 5.850 9.539 1.00 0.72 H new ATOM 0 HD2 LYS B 79 3.752 6.997 10.591 1.00 1.16 H new ATOM 0 HD3 LYS B 79 3.242 7.259 8.935 1.00 1.16 H new ATOM 0 HE2 LYS B 79 1.783 5.202 9.119 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.221 5.092 10.813 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.257 6.259 10.869 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 1.388 7.525 10.903 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.590 7.138 9.455 1.00 2.02 H new ATOM 2694 N ILE B 80 5.609 8.446 6.839 1.00 0.37 N ATOM 2695 CA ILE B 80 6.728 9.208 6.304 1.00 0.39 C ATOM 2696 C ILE B 80 8.058 8.509 6.567 1.00 0.39 C ATOM 2697 O ILE B 80 8.494 8.403 7.714 1.00 0.61 O ATOM 2698 CB ILE B 80 6.798 10.621 6.928 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.399 11.226 7.061 1.00 0.67 C ATOM 2700 CG2 ILE B 80 7.689 11.523 6.085 1.00 0.97 C ATOM 2701 CD1 ILE B 80 5.372 12.580 7.738 1.00 1.18 C ATOM 0 H ILE B 80 5.188 8.857 7.672 1.00 0.37 H new ATOM 0 HA ILE B 80 6.559 9.285 5.230 1.00 0.39 H new ATOM 0 HB ILE B 80 7.227 10.536 7.926 1.00 0.52 H new ATOM 0 HG12 ILE B 80 4.960 11.320 6.068 1.00 0.67 H new ATOM 0 HG13 ILE B 80 4.769 10.538 7.625 1.00 0.67 H new ATOM 0 HG21 ILE B 80 7.731 12.515 6.534 1.00 0.97 H new ATOM 0 HG22 ILE B 80 8.694 11.103 6.040 1.00 0.97 H new ATOM 0 HG23 ILE B 80 7.281 11.598 5.077 1.00 0.97 H new ATOM 0 HD11 ILE B 80 4.344 12.939 7.793 1.00 1.18 H new ATOM 0 HD12 ILE B 80 5.780 12.491 8.745 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.973 13.286 7.164 1.00 1.18 H new ATOM 2713 N LEU B 81 8.689 8.030 5.509 1.00 0.30 N ATOM 2714 CA LEU B 81 9.979 7.369 5.624 1.00 0.34 C ATOM 2715 C LEU B 81 11.077 8.336 5.209 1.00 0.36 C ATOM 2716 O LEU B 81 11.192 8.697 4.034 1.00 0.46 O ATOM 2717 CB LEU B 81 10.032 6.115 4.749 1.00 0.44 C ATOM 2718 CG LEU B 81 9.769 4.794 5.473 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.394 4.788 6.127 1.00 1.01 C ATOM 2720 CD2 LEU B 81 9.906 3.635 4.504 1.00 0.78 C ATOM 0 H LEU B 81 8.328 8.086 4.557 1.00 0.30 H new ATOM 0 HA LEU B 81 10.125 7.065 6.660 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.301 6.222 3.948 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.014 6.062 4.279 1.00 0.44 H new ATOM 0 HG LEU B 81 10.511 4.683 6.264 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.236 3.836 6.634 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.332 5.600 6.852 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.628 4.924 5.364 1.00 1.01 H new ATOM 0 HD21 LEU B 81 9.717 2.698 5.028 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.185 3.750 3.695 1.00 0.78 H new ATOM 0 HD23 LEU B 81 10.915 3.623 4.092 1.00 0.78 H new ATOM 2732 N LYS B 82 11.870 8.769 6.172 1.00 0.39 N ATOM 2733 CA LYS B 82 12.945 9.708 5.899 1.00 0.47 C ATOM 2734 C LYS B 82 14.185 9.346 6.695 1.00 0.49 C ATOM 2735 O LYS B 82 14.275 8.262 7.269 1.00 0.63 O ATOM 2736 CB LYS B 82 12.510 11.140 6.234 1.00 0.54 C ATOM 2737 CG LYS B 82 11.946 11.908 5.045 1.00 0.94 C ATOM 2738 CD LYS B 82 12.183 13.404 5.174 1.00 1.01 C ATOM 2739 CE LYS B 82 11.377 14.005 6.313 1.00 1.22 C ATOM 2740 NZ LYS B 82 11.534 15.480 6.375 1.00 1.35 N ATOM 0 H LYS B 82 11.791 8.487 7.149 1.00 0.39 H new ATOM 0 HA LYS B 82 13.180 9.652 4.836 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.758 11.106 7.022 1.00 0.54 H new ATOM 0 HB3 LYS B 82 13.365 11.685 6.633 1.00 0.54 H new ATOM 0 HG2 LYS B 82 12.407 11.545 4.126 1.00 0.94 H new ATOM 0 HG3 LYS B 82 10.876 11.715 4.962 1.00 0.94 H new ATOM 0 HD2 LYS B 82 13.244 13.591 5.341 1.00 1.01 H new ATOM 0 HD3 LYS B 82 11.915 13.897 4.239 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.324 13.756 6.185 1.00 1.22 H new ATOM 0 HE3 LYS B 82 11.696 13.565 7.257 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 10.970 15.856 7.164 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 12.536 15.717 6.522 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 11.206 15.902 5.483 1.00 1.35 H new ATOM 2754 N ASP B 83 15.126 10.274 6.747 1.00 0.60 N ATOM 2755 CA ASP B 83 16.375 10.073 7.468 1.00 0.68 C ATOM 2756 C ASP B 83 16.174 10.214 8.972 1.00 0.68 C ATOM 2757 O ASP B 83 17.133 10.150 9.740 1.00 0.89 O ATOM 2758 CB ASP B 83 17.443 11.061 6.974 1.00 0.88 C ATOM 2759 CG ASP B 83 16.917 12.476 6.811 1.00 1.20 C ATOM 2760 OD1 ASP B 83 16.017 12.693 5.962 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.400 13.382 7.525 1.00 1.52 O ATOM 0 H ASP B 83 15.048 11.184 6.293 1.00 0.60 H new ATOM 0 HA ASP B 83 16.717 9.057 7.270 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.276 11.068 7.678 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.836 10.714 6.018 1.00 0.88 H new ATOM 2766 N GLN B 84 14.925 10.400 9.387 1.00 0.60 N ATOM 2767 CA GLN B 84 14.592 10.533 10.799 1.00 0.67 C ATOM 2768 C GLN B 84 14.480 9.160 11.454 1.00 0.61 C ATOM 2769 O GLN B 84 14.826 8.989 12.626 1.00 0.81 O ATOM 2770 CB GLN B 84 13.278 11.292 10.973 1.00 0.77 C ATOM 2771 CG GLN B 84 13.372 12.776 10.650 1.00 0.93 C ATOM 2772 CD GLN B 84 12.055 13.498 10.866 1.00 1.13 C ATOM 2773 OE1 GLN B 84 11.257 13.115 11.721 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.819 14.547 10.099 1.00 1.28 N ATOM 0 H GLN B 84 14.123 10.462 8.760 1.00 0.60 H new ATOM 0 HA GLN B 84 15.392 11.094 11.282 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.521 10.839 10.333 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.937 11.176 12.002 1.00 0.77 H new ATOM 0 HG2 GLN B 84 14.141 13.233 11.273 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.686 12.901 9.614 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.506 14.833 9.401 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.950 15.071 10.204 1.00 1.28 H new ATOM 2783 N ASP B 85 13.989 8.188 10.694 1.00 0.52 N ATOM 2784 CA ASP B 85 13.822 6.830 11.192 1.00 0.51 C ATOM 2785 C ASP B 85 14.820 5.891 10.520 1.00 0.44 C ATOM 2786 O ASP B 85 15.820 6.342 9.960 1.00 0.48 O ATOM 2787 CB ASP B 85 12.380 6.350 10.968 1.00 0.61 C ATOM 2788 CG ASP B 85 11.998 6.247 9.503 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.720 7.295 8.878 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.934 5.113 8.984 1.00 0.86 O ATOM 0 H ASP B 85 13.698 8.318 9.725 1.00 0.52 H new ATOM 0 HA ASP B 85 14.018 6.824 12.264 1.00 0.51 H new ATOM 0 HB2 ASP B 85 12.253 5.375 11.438 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.695 7.036 11.467 1.00 0.61 H new ATOM 2795 N THR B 86 14.566 4.591 10.594 1.00 0.49 N ATOM 2796 CA THR B 86 15.453 3.607 9.994 1.00 0.47 C ATOM 2797 C THR B 86 14.692 2.714 9.018 1.00 0.42 C ATOM 2798 O THR B 86 13.712 2.058 9.388 1.00 0.41 O ATOM 2799 CB THR B 86 16.123 2.730 11.067 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.135 3.422 12.327 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.544 2.373 10.666 1.00 0.67 C ATOM 0 H THR B 86 13.752 4.195 11.064 1.00 0.49 H new ATOM 0 HA THR B 86 16.225 4.156 9.455 1.00 0.47 H new ATOM 0 HB THR B 86 15.549 1.808 11.163 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.561 2.858 13.006 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.996 1.753 11.440 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.529 1.824 9.724 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.128 3.285 10.545 1.00 0.67 H new ATOM 2809 N LEU B 87 15.170 2.680 7.777 1.00 0.43 N ATOM 2810 CA LEU B 87 14.545 1.890 6.724 1.00 0.42 C ATOM 2811 C LEU B 87 14.644 0.399 7.013 1.00 0.42 C ATOM 2812 O LEU B 87 13.662 -0.327 6.894 1.00 0.44 O ATOM 2813 CB LEU B 87 15.201 2.201 5.377 1.00 0.51 C ATOM 2814 CG LEU B 87 14.542 1.549 4.161 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.312 2.336 3.736 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.535 1.445 3.016 1.00 0.66 C ATOM 0 H LEU B 87 15.996 3.196 7.476 1.00 0.43 H new ATOM 0 HA LEU B 87 13.489 2.158 6.687 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.202 3.281 5.233 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.243 1.884 5.418 1.00 0.51 H new ATOM 0 HG LEU B 87 14.225 0.543 4.434 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.856 1.858 2.869 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.595 2.361 4.556 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.603 3.354 3.477 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.052 0.979 2.157 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.880 2.442 2.742 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.386 0.839 3.327 1.00 0.66 H new ATOM 2828 N ILE B 88 15.823 -0.051 7.421 1.00 0.47 N ATOM 2829 CA ILE B 88 16.044 -1.468 7.710 1.00 0.53 C ATOM 2830 C ILE B 88 15.371 -1.913 9.012 1.00 0.54 C ATOM 2831 O ILE B 88 15.489 -3.071 9.410 1.00 0.66 O ATOM 2832 CB ILE B 88 17.556 -1.798 7.786 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.247 -0.957 8.868 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.218 -1.569 6.438 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.518 -1.711 10.156 1.00 0.91 C ATOM 0 H ILE B 88 16.642 0.541 7.560 1.00 0.47 H new ATOM 0 HA ILE B 88 15.590 -2.016 6.884 1.00 0.53 H new ATOM 0 HB ILE B 88 17.660 -2.850 8.053 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.191 -0.581 8.474 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.626 -0.089 9.091 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.280 -1.805 6.509 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.753 -2.211 5.690 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.097 -0.526 6.146 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.008 -1.048 10.869 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.576 -2.064 10.576 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.165 -2.563 9.949 1.00 0.91 H new ATOM 2847 N GLN B 89 14.671 -1.001 9.676 1.00 0.48 N ATOM 2848 CA GLN B 89 14.008 -1.331 10.932 1.00 0.53 C ATOM 2849 C GLN B 89 12.492 -1.412 10.775 1.00 0.52 C ATOM 2850 O GLN B 89 11.872 -2.393 11.184 1.00 0.71 O ATOM 2851 CB GLN B 89 14.357 -0.296 12.004 1.00 0.57 C ATOM 2852 CG GLN B 89 13.775 -0.617 13.376 1.00 0.69 C ATOM 2853 CD GLN B 89 14.482 -1.771 14.065 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.422 -1.572 14.833 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.035 -2.986 13.795 1.00 0.89 N ATOM 0 H GLN B 89 14.548 -0.036 9.370 1.00 0.48 H new ATOM 0 HA GLN B 89 14.367 -2.314 11.237 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.441 -0.223 12.087 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.995 0.681 11.685 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.837 0.269 14.007 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.717 -0.858 13.269 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.253 -3.111 13.152 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.472 -3.799 14.229 1.00 0.89 H new ATOM 2864 N HIS B 90 11.895 -0.386 10.180 1.00 0.49 N ATOM 2865 CA HIS B 90 10.447 -0.350 10.020 1.00 0.51 C ATOM 2866 C HIS B 90 10.028 -0.208 8.560 1.00 0.50 C ATOM 2867 O HIS B 90 8.926 -0.617 8.189 1.00 0.75 O ATOM 2868 CB HIS B 90 9.873 0.807 10.846 1.00 0.59 C ATOM 2869 CG HIS B 90 8.380 0.908 10.801 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.713 1.868 10.068 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.422 0.165 11.397 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.412 1.707 10.217 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.213 0.680 11.016 1.00 1.10 N ATOM 0 H HIS B 90 12.386 0.425 9.804 1.00 0.49 H new ATOM 0 HA HIS B 90 10.049 -1.300 10.376 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.187 0.690 11.883 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.301 1.743 10.487 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.581 -0.679 12.052 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.643 2.313 9.762 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.302 0.324 11.305 1.00 1.10 H new ATOM 2882 N GLY B 91 10.895 0.364 7.736 1.00 0.45 N ATOM 2883 CA GLY B 91 10.564 0.554 6.337 1.00 0.46 C ATOM 2884 C GLY B 91 10.528 -0.746 5.558 1.00 0.45 C ATOM 2885 O GLY B 91 9.462 -1.234 5.191 1.00 0.64 O ATOM 0 H GLY B 91 11.819 0.699 8.009 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.593 1.044 6.262 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.295 1.223 5.883 1.00 0.46 H new ATOM 2889 N ILE B 92 11.698 -1.314 5.319 1.00 0.38 N ATOM 2890 CA ILE B 92 11.804 -2.554 4.573 1.00 0.39 C ATOM 2891 C ILE B 92 12.331 -3.664 5.468 1.00 0.41 C ATOM 2892 O ILE B 92 13.457 -3.595 5.956 1.00 0.46 O ATOM 2893 CB ILE B 92 12.735 -2.401 3.353 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.288 -1.224 2.479 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.771 -3.690 2.539 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.931 -1.416 1.834 1.00 0.43 C ATOM 0 H ILE B 92 12.591 -0.933 5.633 1.00 0.38 H new ATOM 0 HA ILE B 92 10.805 -2.809 4.218 1.00 0.39 H new ATOM 0 HB ILE B 92 13.743 -2.197 3.715 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.265 -0.321 3.088 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.031 -1.062 1.698 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.433 -3.561 1.683 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.139 -4.504 3.163 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.767 -3.927 2.188 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.687 -0.540 1.233 1.00 0.43 H new ATOM 0 HD12 ILE B 92 10.953 -2.300 1.196 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.175 -1.546 2.609 1.00 0.43 H new ATOM 2908 N HIS B 93 11.509 -4.679 5.687 1.00 0.46 N ATOM 2909 CA HIS B 93 11.898 -5.804 6.527 1.00 0.52 C ATOM 2910 C HIS B 93 12.709 -6.814 5.731 1.00 0.54 C ATOM 2911 O HIS B 93 13.619 -7.446 6.259 1.00 0.66 O ATOM 2912 CB HIS B 93 10.667 -6.482 7.131 1.00 0.58 C ATOM 2913 CG HIS B 93 10.147 -5.790 8.351 1.00 0.65 C ATOM 2914 ND1 HIS B 93 10.824 -5.772 9.551 1.00 1.25 N ATOM 2915 CD2 HIS B 93 9.016 -5.075 8.550 1.00 1.25 C ATOM 2916 CE1 HIS B 93 10.132 -5.079 10.434 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.033 -4.645 9.852 1.00 1.10 N ATOM 0 H HIS B 93 10.569 -4.748 5.296 1.00 0.46 H new ATOM 0 HA HIS B 93 12.517 -5.419 7.337 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.878 -6.521 6.380 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.917 -7.512 7.385 1.00 0.58 H new ATOM 0 HD2 HIS B 93 8.244 -4.879 7.820 1.00 1.25 H new ATOM 0 HE1 HIS B 93 10.418 -4.898 11.460 1.00 1.14 H new ATOM 0 HE2 HIS B 93 8.311 -4.080 10.298 1.00 1.10 H new ATOM 2926 N ASP B 94 12.366 -6.965 4.461 1.00 0.58 N ATOM 2927 CA ASP B 94 13.060 -7.896 3.582 1.00 0.63 C ATOM 2928 C ASP B 94 12.915 -7.453 2.135 1.00 0.78 C ATOM 2929 O ASP B 94 13.904 -7.201 1.448 1.00 1.65 O ATOM 2930 CB ASP B 94 12.494 -9.310 3.753 1.00 0.67 C ATOM 2931 CG ASP B 94 13.318 -10.356 3.030 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.341 -10.803 3.593 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.932 -10.760 1.912 1.00 1.08 O ATOM 0 H ASP B 94 11.607 -6.452 4.013 1.00 0.58 H new ATOM 0 HA ASP B 94 14.117 -7.905 3.848 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.452 -9.555 4.814 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.471 -9.336 3.379 1.00 0.67 H new ATOM 2938 N GLY B 95 11.670 -7.345 1.695 1.00 0.57 N ATOM 2939 CA GLY B 95 11.381 -6.929 0.341 1.00 0.52 C ATOM 2940 C GLY B 95 9.983 -6.361 0.235 1.00 0.46 C ATOM 2941 O GLY B 95 9.013 -7.109 0.099 1.00 0.53 O ATOM 0 H GLY B 95 10.845 -7.542 2.262 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.107 -6.180 0.024 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.484 -7.778 -0.334 1.00 0.52 H new ATOM 2945 N LEU B 96 9.869 -5.044 0.317 1.00 0.41 N ATOM 2946 CA LEU B 96 8.571 -4.387 0.251 1.00 0.40 C ATOM 2947 C LEU B 96 8.579 -3.250 -0.760 1.00 0.37 C ATOM 2948 O LEU B 96 9.638 -2.834 -1.231 1.00 0.41 O ATOM 2949 CB LEU B 96 8.175 -3.857 1.630 1.00 0.44 C ATOM 2950 CG LEU B 96 7.917 -4.932 2.688 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.162 -4.379 4.080 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.499 -5.465 2.572 1.00 0.70 C ATOM 0 H LEU B 96 10.659 -4.409 0.429 1.00 0.41 H new ATOM 0 HA LEU B 96 7.838 -5.126 -0.074 1.00 0.40 H new ATOM 0 HB2 LEU B 96 8.965 -3.197 1.989 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.276 -3.250 1.524 1.00 0.44 H new ATOM 0 HG LEU B 96 8.611 -5.755 2.516 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.974 -5.158 4.819 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.196 -4.044 4.162 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.493 -3.538 4.260 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.334 -6.228 3.332 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.791 -4.649 2.717 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.354 -5.900 1.583 1.00 0.70 H new ATOM 2964 N THR B 97 7.390 -2.763 -1.080 1.00 0.39 N ATOM 2965 CA THR B 97 7.227 -1.684 -2.037 1.00 0.39 C ATOM 2966 C THR B 97 6.895 -0.368 -1.334 1.00 0.37 C ATOM 2967 O THR B 97 5.910 -0.278 -0.599 1.00 0.46 O ATOM 2968 CB THR B 97 6.103 -2.028 -3.033 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.615 -3.352 -2.769 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.606 -1.954 -4.466 1.00 0.78 C ATOM 0 H THR B 97 6.514 -3.105 -0.684 1.00 0.39 H new ATOM 0 HA THR B 97 8.170 -1.565 -2.571 1.00 0.39 H new ATOM 0 HB THR B 97 5.299 -1.302 -2.908 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.899 -3.569 -3.402 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.794 -2.201 -5.150 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.962 -0.945 -4.675 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.423 -2.663 -4.602 1.00 0.78 H new ATOM 2978 N VAL B 98 7.723 0.647 -1.556 1.00 0.33 N ATOM 2979 CA VAL B 98 7.516 1.961 -0.954 1.00 0.31 C ATOM 2980 C VAL B 98 7.215 2.996 -2.032 1.00 0.30 C ATOM 2981 O VAL B 98 7.519 2.784 -3.203 1.00 0.36 O ATOM 2982 CB VAL B 98 8.739 2.426 -0.129 1.00 0.31 C ATOM 2983 CG1 VAL B 98 8.874 1.599 1.139 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.017 2.353 -0.955 1.00 0.34 C ATOM 0 H VAL B 98 8.549 0.585 -2.152 1.00 0.33 H new ATOM 0 HA VAL B 98 6.667 1.869 -0.277 1.00 0.31 H new ATOM 0 HB VAL B 98 8.579 3.467 0.152 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.740 1.941 1.706 1.00 0.37 H new ATOM 0 HG12 VAL B 98 7.975 1.713 1.745 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.004 0.549 0.877 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.861 2.686 -0.350 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.184 1.325 -1.277 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.922 2.996 -1.830 1.00 0.34 H new ATOM 2994 N HIS B 99 6.624 4.113 -1.638 1.00 0.29 N ATOM 2995 CA HIS B 99 6.279 5.169 -2.585 1.00 0.31 C ATOM 2996 C HIS B 99 7.254 6.329 -2.488 1.00 0.30 C ATOM 2997 O HIS B 99 7.768 6.625 -1.415 1.00 0.47 O ATOM 2998 CB HIS B 99 4.863 5.677 -2.319 1.00 0.38 C ATOM 2999 CG HIS B 99 4.047 5.860 -3.562 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.154 4.918 -4.009 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.987 6.884 -4.450 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.578 5.347 -5.112 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.064 6.535 -5.403 1.00 0.81 N ATOM 0 H HIS B 99 6.372 4.315 -0.670 1.00 0.29 H new ATOM 0 HA HIS B 99 6.334 4.747 -3.588 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.352 4.975 -1.659 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.921 6.628 -1.789 1.00 0.38 H new ATOM 0 HD2 HIS B 99 4.558 7.800 -4.414 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.832 4.814 -5.682 1.00 0.81 H new ATOM 0 HE2 HIS B 99 2.798 7.104 -6.207 1.00 0.81 H new ATOM 3012 N LEU B 100 7.511 6.974 -3.614 1.00 0.31 N ATOM 3013 CA LEU B 100 8.404 8.118 -3.651 1.00 0.32 C ATOM 3014 C LEU B 100 7.608 9.392 -3.920 1.00 0.32 C ATOM 3015 O LEU B 100 7.004 9.543 -4.984 1.00 0.40 O ATOM 3016 CB LEU B 100 9.479 7.926 -4.728 1.00 0.37 C ATOM 3017 CG LEU B 100 10.603 8.966 -4.726 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.955 8.284 -4.863 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.399 9.979 -5.848 1.00 0.91 C ATOM 0 H LEU B 100 7.111 6.722 -4.518 1.00 0.31 H new ATOM 0 HA LEU B 100 8.898 8.207 -2.684 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.921 6.938 -4.604 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.997 7.939 -5.705 1.00 0.37 H new ATOM 0 HG LEU B 100 10.578 9.499 -3.775 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.744 9.036 -4.860 1.00 0.85 H new ATOM 0 HD12 LEU B 100 12.103 7.599 -4.028 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.988 7.727 -5.799 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.208 10.710 -5.830 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.397 9.463 -6.808 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.446 10.489 -5.709 1.00 0.91 H new ATOM 3031 N VAL B 101 7.598 10.291 -2.949 1.00 0.30 N ATOM 3032 CA VAL B 101 6.881 11.554 -3.074 1.00 0.32 C ATOM 3033 C VAL B 101 7.819 12.722 -2.791 1.00 0.33 C ATOM 3034 O VAL B 101 8.969 12.514 -2.396 1.00 0.38 O ATOM 3035 CB VAL B 101 5.667 11.627 -2.119 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.611 10.598 -2.507 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.100 11.432 -0.675 1.00 0.52 C ATOM 0 H VAL B 101 8.081 10.170 -2.059 1.00 0.30 H new ATOM 0 HA VAL B 101 6.510 11.615 -4.097 1.00 0.32 H new ATOM 0 HB VAL B 101 5.226 12.620 -2.210 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.766 10.667 -1.822 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.270 10.792 -3.524 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.041 9.598 -2.453 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.228 11.488 -0.023 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.573 10.456 -0.566 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.810 12.212 -0.399 1.00 0.52 H new ATOM 3047 N ILE B 102 7.332 13.943 -2.981 1.00 0.36 N ATOM 3048 CA ILE B 102 8.150 15.130 -2.748 1.00 0.41 C ATOM 3049 C ILE B 102 7.379 16.180 -1.962 1.00 0.51 C ATOM 3050 O ILE B 102 7.631 17.377 -2.092 1.00 0.79 O ATOM 3051 CB ILE B 102 8.674 15.761 -4.064 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.529 15.978 -5.074 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.784 14.902 -4.663 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.283 14.807 -6.003 1.00 1.32 C ATOM 0 H ILE B 102 6.381 14.138 -3.294 1.00 0.36 H new ATOM 0 HA ILE B 102 9.010 14.795 -2.168 1.00 0.41 H new ATOM 0 HB ILE B 102 9.091 16.740 -3.829 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.612 16.189 -4.525 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.752 16.861 -5.673 1.00 0.71 H new ATOM 0 HG21 ILE B 102 10.140 15.359 -5.586 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.608 14.826 -3.954 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.397 13.906 -4.878 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.462 15.045 -6.679 1.00 1.32 H new ATOM 0 HD12 ILE B 102 8.184 14.607 -6.583 1.00 1.32 H new ATOM 0 HD13 ILE B 102 7.026 13.925 -5.416 1.00 1.32 H new ATOM 3066 N LYS B 103 6.445 15.727 -1.143 1.00 0.59 N ATOM 3067 CA LYS B 103 5.643 16.635 -0.335 1.00 0.76 C ATOM 3068 C LYS B 103 6.297 16.841 1.027 1.00 0.91 C ATOM 3069 O LYS B 103 5.962 16.095 1.972 1.00 1.07 O ATOM 3070 CB LYS B 103 4.220 16.096 -0.164 1.00 0.86 C ATOM 3071 CG LYS B 103 3.436 16.023 -1.464 1.00 1.00 C ATOM 3072 CD LYS B 103 1.998 16.481 -1.272 1.00 1.15 C ATOM 3073 CE LYS B 103 1.188 16.333 -2.546 1.00 1.32 C ATOM 3074 NZ LYS B 103 -0.123 17.033 -2.458 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.157 17.741 1.144 1.00 1.20 O ATOM 0 H LYS B 103 6.222 14.739 -1.019 1.00 0.59 H new ATOM 0 HA LYS B 103 5.586 17.595 -0.849 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.268 15.101 0.278 1.00 0.86 H new ATOM 0 HB3 LYS B 103 3.682 16.731 0.540 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.920 16.644 -2.218 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.446 15.000 -1.840 1.00 1.00 H new ATOM 0 HD2 LYS B 103 1.534 15.899 -0.476 1.00 1.15 H new ATOM 0 HD3 LYS B 103 1.987 17.523 -0.953 1.00 1.15 H new ATOM 0 HE2 LYS B 103 1.757 16.733 -3.386 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.021 15.275 -2.749 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 -0.793 16.600 -3.125 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 -0.496 16.951 -1.491 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 0.003 18.037 -2.697 1.00 1.74 H new TER 3089 LYS B 103