USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 62 SER OG : rot 42:sc= 0.787 USER MOD Set 1.2: B 69 THR OG1 : rot -82:sc= 0.52 USER MOD Set 2.1: A 121 CYS SG : rot 41:sc= 1.39 USER MOD Set 2.2: A 125 ASN : amide:sc= 1.68 K(o=3.1,f=-1.4!) USER MOD Set 3.1: A 52 THR OG1 : rot 71:sc= 1.37 USER MOD Set 3.2: A 58 HIS : no HE2:sc= 1.04 K(o=2.4,f=-2.4!) USER MOD Set 4.1: A 48 TYR OH : rot 108:sc= 0.00117 USER MOD Set 4.2: A 60 CYS SG : rot -127:sc= 0.544 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+ 154:sc= 2.39 (180deg=2.24) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 36:sc= 0.212 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -42:sc= 0.65 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= -0.0201 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 50 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.2) USER MOD Single : A 51 GLN : amide:sc= 0.0833 K(o=0.083,f=-0.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 68 ASN : amide:sc= -0.0681 K(o=-0.068,f=-2!) USER MOD Single : A 80 CYS SG : rot 83:sc= -3.08! USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.18) USER MOD Single : A 87 GLN : amide:sc= -0.777 X(o=-0.78,f=-0.31) USER MOD Single : A 88 CYS SG : rot 130:sc= -0.349 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 94 TYR OH : rot -133:sc= 1.16 USER MOD Single : A 97 LYS NZ :NH3+ -119:sc= 0.209 (180deg=0.0138) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.11) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= -0.07 (180deg=-0.347) USER MOD Single : A 109 MET CE :methyl 148:sc= 0 (180deg=-1.29) USER MOD Single : A 110 GLN : amide:sc= 0.674 K(o=0.67,f=-4.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.795 K(o=-0.8,f=-0.29) USER MOD Single : A 120 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.87) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -1.79! C(o=-1.8!,f=-8!) USER MOD Single : A 130 ASN : amide:sc= 1.15 K(o=1.2,f=-0.017) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 172:sc= -0.0158 (180deg=-0.135) USER MOD Single : B 36 THR OG1 : rot -81:sc= 1.31 USER MOD Single : B 38 LYS NZ :NH3+ -162:sc= 1.89 (180deg=1.67) USER MOD Single : B 39 THR OG1 : rot 26:sc= 0.464 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= -1.09 K(o=-1.1,f=-5.7!) USER MOD Single : B 52 SER OG : rot 82:sc= -0.048 USER MOD Single : B 53 SER OG : rot 180:sc= 0.0559 USER MOD Single : B 55 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 150:sc= 0.159 (180deg=0.00258) USER MOD Single : B 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0508) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= -0.116 USER MOD Single : B 68 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.6!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= -0.0102 (180deg=-0.0102) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= -0.0933 X(o=-0.093,f=-0.27) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.0049) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 97 THR OG1 : rot -150:sc= -1.21 USER MOD Single : B 99 HIS : no HE2:sc= -1.64 K(o=-0.24,f=-8.3!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.200 21.741 8.018 1.00 0.79 N ATOM 2 CA LYS A 21 -13.325 20.788 7.906 1.00 0.63 C ATOM 3 C LYS A 21 -12.876 19.518 7.200 1.00 0.53 C ATOM 4 O LYS A 21 -11.795 19.476 6.608 1.00 0.61 O ATOM 5 CB LYS A 21 -14.488 21.426 7.141 1.00 0.62 C ATOM 6 CG LYS A 21 -14.127 21.878 5.733 1.00 0.66 C ATOM 7 CD LYS A 21 -15.343 22.383 4.973 1.00 0.77 C ATOM 8 CE LYS A 21 -15.912 23.651 5.593 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.965 24.258 4.740 1.00 1.10 N ATOM 0 HA LYS A 21 -13.661 20.532 8.911 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.308 20.710 7.083 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.853 22.284 7.705 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.378 22.668 5.786 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.677 21.048 5.189 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.068 22.577 3.936 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -16.110 21.609 4.960 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.327 23.421 6.574 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -15.109 24.372 5.747 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.328 25.119 5.196 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.563 24.501 3.812 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.743 23.580 4.613 1.00 1.10 H new ATOM 23 N TYR A 22 -13.700 18.480 7.265 1.00 0.49 N ATOM 24 CA TYR A 22 -13.378 17.216 6.621 1.00 0.49 C ATOM 25 C TYR A 22 -13.991 17.173 5.230 1.00 0.47 C ATOM 26 O TYR A 22 -15.063 17.738 5.000 1.00 0.57 O ATOM 27 CB TYR A 22 -13.889 16.031 7.444 1.00 0.56 C ATOM 28 CG TYR A 22 -13.619 16.145 8.926 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.378 16.553 9.401 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.607 15.842 9.851 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.132 16.655 10.755 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.370 15.943 11.206 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.133 16.350 11.654 1.00 0.65 C ATOM 34 OH TYR A 22 -12.896 16.447 13.005 1.00 0.75 O ATOM 0 H TYR A 22 -14.594 18.490 7.756 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.293 17.141 6.547 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.963 15.931 7.288 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.426 15.117 7.071 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.594 16.794 8.699 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.578 15.522 9.504 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.162 16.972 11.109 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.151 15.704 11.913 1.00 0.67 H new ATOM 0 HH TYR A 22 -13.706 16.198 13.498 1.00 0.75 H new ATOM 44 N LEU A 23 -13.310 16.505 4.313 1.00 0.41 N ATOM 45 CA LEU A 23 -13.786 16.380 2.944 1.00 0.43 C ATOM 46 C LEU A 23 -14.877 15.320 2.877 1.00 0.43 C ATOM 47 O LEU A 23 -15.909 15.507 2.233 1.00 0.52 O ATOM 48 CB LEU A 23 -12.623 16.009 2.017 1.00 0.45 C ATOM 49 CG LEU A 23 -11.468 17.012 2.001 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.193 16.353 1.501 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.823 18.217 1.139 1.00 0.70 C ATOM 0 H LEU A 23 -12.421 16.038 4.493 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.199 17.334 2.617 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.235 15.035 2.316 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -13.006 15.902 1.002 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.296 17.356 3.021 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.384 17.083 1.497 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.931 15.524 2.158 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.349 15.979 0.489 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.991 18.921 1.138 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -12.022 17.889 0.119 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.710 18.704 1.543 1.00 0.70 H new ATOM 63 N VAL A 24 -14.632 14.205 3.551 1.00 0.42 N ATOM 64 CA VAL A 24 -15.577 13.099 3.601 1.00 0.46 C ATOM 65 C VAL A 24 -15.681 12.587 5.032 1.00 0.43 C ATOM 66 O VAL A 24 -14.672 12.505 5.734 1.00 0.44 O ATOM 67 CB VAL A 24 -15.151 11.925 2.682 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.260 10.887 2.584 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.764 12.423 1.298 1.00 0.76 C ATOM 0 H VAL A 24 -13.774 14.042 4.078 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.539 13.474 3.250 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.275 11.454 3.128 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.940 10.072 1.934 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.480 10.494 3.577 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.156 11.350 2.170 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.470 11.577 0.676 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.615 12.930 0.843 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.929 13.119 1.382 1.00 0.76 H new ATOM 79 N GLU A 25 -16.893 12.286 5.471 1.00 0.45 N ATOM 80 CA GLU A 25 -17.116 11.777 6.817 1.00 0.45 C ATOM 81 C GLU A 25 -18.403 10.959 6.870 1.00 0.47 C ATOM 82 O GLU A 25 -19.405 11.322 6.249 1.00 0.55 O ATOM 83 CB GLU A 25 -17.176 12.921 7.836 1.00 0.49 C ATOM 84 CG GLU A 25 -18.169 14.015 7.484 1.00 0.56 C ATOM 85 CD GLU A 25 -18.937 14.508 8.690 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.439 15.418 9.386 1.00 0.95 O ATOM 87 OE2 GLU A 25 -20.047 13.995 8.946 1.00 0.96 O ATOM 0 H GLU A 25 -17.741 12.386 4.913 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.276 11.133 7.076 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.435 12.510 8.812 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.184 13.362 7.929 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.638 14.851 7.029 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.870 13.639 6.739 1.00 0.56 H new ATOM 94 N PHE A 26 -18.362 9.842 7.584 1.00 0.43 N ATOM 95 CA PHE A 26 -19.523 8.969 7.720 1.00 0.46 C ATOM 96 C PHE A 26 -19.332 8.012 8.888 1.00 0.45 C ATOM 97 O PHE A 26 -18.212 7.813 9.362 1.00 0.44 O ATOM 98 CB PHE A 26 -19.772 8.178 6.427 1.00 0.47 C ATOM 99 CG PHE A 26 -18.564 7.448 5.898 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.274 6.159 6.321 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.719 8.049 4.978 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.173 5.485 5.832 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.615 7.380 4.488 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.340 6.098 4.917 1.00 0.51 C ATOM 0 H PHE A 26 -17.533 9.517 8.081 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.394 9.595 7.912 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.568 7.455 6.606 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.131 8.864 5.660 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.918 5.677 7.042 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.927 9.054 4.640 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -16.963 4.479 6.165 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -15.967 7.860 3.769 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.475 5.575 4.538 1.00 0.51 H new ATOM 114 N ARG A 27 -20.426 7.433 9.360 1.00 0.47 N ATOM 115 CA ARG A 27 -20.366 6.496 10.470 1.00 0.47 C ATOM 116 C ARG A 27 -19.986 5.107 9.974 1.00 0.45 C ATOM 117 O ARG A 27 -20.650 4.541 9.098 1.00 0.46 O ATOM 118 CB ARG A 27 -21.712 6.450 11.199 1.00 0.51 C ATOM 119 CG ARG A 27 -22.047 7.736 11.937 1.00 0.55 C ATOM 120 CD ARG A 27 -23.542 7.857 12.190 1.00 0.61 C ATOM 121 NE ARG A 27 -24.286 8.151 10.968 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.477 8.744 10.944 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.061 9.111 12.074 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.092 8.955 9.790 1.00 0.77 N ATOM 0 H ARG A 27 -21.363 7.595 8.992 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.601 6.835 11.169 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.500 6.239 10.476 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.703 5.624 11.910 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.512 7.762 12.887 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.705 8.591 11.355 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.912 6.928 12.624 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.722 8.645 12.922 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.866 7.885 10.077 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.598 8.939 12.967 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.974 9.565 12.052 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.653 8.663 8.917 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -27.005 9.410 9.774 1.00 0.77 H new ATOM 138 N ALA A 28 -18.916 4.560 10.529 1.00 0.44 N ATOM 139 CA ALA A 28 -18.443 3.240 10.145 1.00 0.43 C ATOM 140 C ALA A 28 -17.578 2.644 11.245 1.00 0.42 C ATOM 141 O ALA A 28 -16.790 3.347 11.879 1.00 0.44 O ATOM 142 CB ALA A 28 -17.665 3.311 8.838 1.00 0.42 C ATOM 0 H ALA A 28 -18.356 5.013 11.251 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.309 2.594 9.997 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.319 2.314 8.566 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.311 3.698 8.050 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.807 3.972 8.961 1.00 0.42 H new ATOM 148 N GLY A 29 -17.736 1.348 11.473 1.00 0.43 N ATOM 149 CA GLY A 29 -16.963 0.675 12.492 1.00 0.43 C ATOM 150 C GLY A 29 -15.727 0.030 11.913 1.00 0.41 C ATOM 151 O GLY A 29 -15.719 -0.374 10.750 1.00 0.46 O ATOM 0 H GLY A 29 -18.389 0.750 10.967 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.675 1.390 13.263 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.578 -0.084 12.975 1.00 0.43 H new ATOM 155 N LYS A 30 -14.687 -0.071 12.718 1.00 0.42 N ATOM 156 CA LYS A 30 -13.437 -0.669 12.279 1.00 0.42 C ATOM 157 C LYS A 30 -13.384 -2.145 12.653 1.00 0.41 C ATOM 158 O LYS A 30 -14.273 -2.658 13.337 1.00 0.45 O ATOM 159 CB LYS A 30 -12.248 0.067 12.902 1.00 0.48 C ATOM 160 CG LYS A 30 -12.263 0.075 14.424 1.00 0.54 C ATOM 161 CD LYS A 30 -11.090 0.858 14.995 1.00 0.67 C ATOM 162 CE LYS A 30 -9.782 0.107 14.835 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.660 0.795 15.518 1.00 0.60 N ATOM 0 H LYS A 30 -14.682 0.255 13.685 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.382 -0.582 11.194 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.324 -0.398 12.559 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.240 1.096 12.542 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.198 0.511 14.776 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.231 -0.950 14.794 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.019 1.823 14.494 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.267 1.059 16.052 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -9.890 -0.900 15.239 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.551 0.002 13.775 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -7.930 0.100 15.773 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.251 1.509 14.881 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.011 1.260 16.379 1.00 0.60 H new ATOM 177 N MET A 31 -12.349 -2.824 12.184 1.00 0.43 N ATOM 178 CA MET A 31 -12.150 -4.234 12.482 1.00 0.44 C ATOM 179 C MET A 31 -10.731 -4.446 12.980 1.00 0.46 C ATOM 180 O MET A 31 -9.777 -3.952 12.382 1.00 0.55 O ATOM 181 CB MET A 31 -12.414 -5.105 11.248 1.00 0.46 C ATOM 182 CG MET A 31 -13.840 -5.010 10.725 1.00 0.47 C ATOM 183 SD MET A 31 -14.341 -6.470 9.789 1.00 0.54 S ATOM 184 CE MET A 31 -15.967 -5.968 9.238 1.00 0.61 C ATOM 0 H MET A 31 -11.627 -2.417 11.590 1.00 0.43 H new ATOM 0 HA MET A 31 -12.859 -4.531 13.255 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.725 -4.814 10.455 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.195 -6.144 11.494 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.521 -4.871 11.564 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.931 -4.128 10.091 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.412 -6.766 8.643 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.598 -5.765 10.103 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.883 -5.067 8.631 1.00 0.61 H new ATOM 194 N SER A 32 -10.599 -5.168 14.079 1.00 0.49 N ATOM 195 CA SER A 32 -9.298 -5.430 14.669 1.00 0.52 C ATOM 196 C SER A 32 -8.829 -6.843 14.353 1.00 0.52 C ATOM 197 O SER A 32 -9.609 -7.796 14.418 1.00 0.54 O ATOM 198 CB SER A 32 -9.379 -5.226 16.183 1.00 0.59 C ATOM 199 OG SER A 32 -10.618 -5.704 16.693 1.00 0.93 O ATOM 0 H SER A 32 -11.381 -5.585 14.583 1.00 0.49 H new ATOM 0 HA SER A 32 -8.574 -4.735 14.244 1.00 0.52 H new ATOM 0 HB2 SER A 32 -8.555 -5.748 16.669 1.00 0.59 H new ATOM 0 HB3 SER A 32 -9.268 -4.167 16.418 1.00 0.59 H new ATOM 0 HG SER A 32 -10.892 -6.501 16.193 1.00 0.93 H new ATOM 205 N LEU A 33 -7.561 -6.981 14.004 1.00 0.54 N ATOM 206 CA LEU A 33 -7.002 -8.284 13.700 1.00 0.56 C ATOM 207 C LEU A 33 -6.501 -8.935 14.984 1.00 0.58 C ATOM 208 O LEU A 33 -5.319 -8.863 15.315 1.00 0.63 O ATOM 209 CB LEU A 33 -5.867 -8.167 12.676 1.00 0.58 C ATOM 210 CG LEU A 33 -5.228 -9.497 12.253 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.210 -10.342 11.456 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.964 -9.247 11.446 1.00 0.67 C ATOM 0 H LEU A 33 -6.901 -6.207 13.925 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.781 -8.908 13.262 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.252 -7.668 11.787 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.090 -7.525 13.091 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.961 -10.047 13.155 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.733 -11.279 11.168 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.087 -10.554 12.067 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.514 -9.799 10.561 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.524 -10.201 11.154 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.210 -8.673 10.553 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.250 -8.688 12.051 1.00 0.67 H new ATOM 224 N LYS A 34 -7.422 -9.538 15.723 1.00 0.59 N ATOM 225 CA LYS A 34 -7.087 -10.204 16.968 1.00 0.63 C ATOM 226 C LYS A 34 -6.322 -11.484 16.670 1.00 0.65 C ATOM 227 O LYS A 34 -6.912 -12.507 16.313 1.00 0.68 O ATOM 228 CB LYS A 34 -8.358 -10.507 17.761 1.00 0.66 C ATOM 229 CG LYS A 34 -9.122 -9.264 18.190 1.00 0.68 C ATOM 230 CD LYS A 34 -10.367 -9.625 18.987 1.00 0.76 C ATOM 231 CE LYS A 34 -11.181 -8.394 19.345 1.00 0.84 C ATOM 232 NZ LYS A 34 -12.284 -8.715 20.288 1.00 1.01 N ATOM 0 H LYS A 34 -8.411 -9.578 15.478 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.457 -9.550 17.571 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.013 -11.134 17.156 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.094 -11.084 18.647 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.474 -8.627 18.793 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.406 -8.688 17.309 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.983 -10.313 18.408 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -10.077 -10.147 19.899 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.528 -7.644 19.792 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.595 -7.956 18.437 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.816 -7.849 20.508 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.921 -9.412 19.852 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.887 -9.109 21.165 1.00 1.01 H new ATOM 246 N GLY A 35 -5.004 -11.411 16.794 1.00 0.66 N ATOM 247 CA GLY A 35 -4.171 -12.556 16.507 1.00 0.70 C ATOM 248 C GLY A 35 -4.092 -12.791 15.015 1.00 0.70 C ATOM 249 O GLY A 35 -3.283 -12.174 14.323 1.00 0.75 O ATOM 0 H GLY A 35 -4.498 -10.576 17.089 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.171 -12.396 16.910 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.575 -13.440 17.000 1.00 0.70 H new ATOM 253 N THR A 36 -4.958 -13.657 14.518 1.00 0.68 N ATOM 254 CA THR A 36 -5.006 -13.959 13.102 1.00 0.70 C ATOM 255 C THR A 36 -6.457 -14.014 12.621 1.00 0.68 C ATOM 256 O THR A 36 -6.751 -14.526 11.541 1.00 0.72 O ATOM 257 CB THR A 36 -4.282 -15.289 12.783 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.177 -15.471 11.365 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.011 -16.476 13.395 1.00 0.77 C ATOM 0 H THR A 36 -5.641 -14.165 15.080 1.00 0.68 H new ATOM 0 HA THR A 36 -4.486 -13.161 12.571 1.00 0.70 H new ATOM 0 HB THR A 36 -3.284 -15.235 13.218 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.021 -15.212 10.939 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.477 -17.395 13.153 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.056 -16.357 14.478 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.023 -16.528 12.994 1.00 0.77 H new ATOM 267 N THR A 37 -7.360 -13.473 13.426 1.00 0.66 N ATOM 268 CA THR A 37 -8.774 -13.459 13.088 1.00 0.66 C ATOM 269 C THR A 37 -9.312 -12.030 13.061 1.00 0.61 C ATOM 270 O THR A 37 -9.233 -11.307 14.056 1.00 0.61 O ATOM 271 CB THR A 37 -9.592 -14.293 14.092 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.014 -15.598 14.218 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.040 -14.418 13.646 1.00 0.81 C ATOM 0 H THR A 37 -7.137 -13.037 14.321 1.00 0.66 H new ATOM 0 HA THR A 37 -8.876 -13.899 12.096 1.00 0.66 H new ATOM 0 HB THR A 37 -9.572 -13.785 15.056 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.535 -16.126 14.858 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.595 -15.012 14.373 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.485 -13.426 13.572 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.080 -14.907 12.672 1.00 0.81 H new ATOM 281 N VAL A 38 -9.845 -11.624 11.916 1.00 0.60 N ATOM 282 CA VAL A 38 -10.397 -10.284 11.766 1.00 0.57 C ATOM 283 C VAL A 38 -11.708 -10.173 12.536 1.00 0.57 C ATOM 284 O VAL A 38 -12.736 -10.705 12.119 1.00 0.64 O ATOM 285 CB VAL A 38 -10.642 -9.926 10.281 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.097 -8.481 10.142 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.389 -10.169 9.456 1.00 0.61 C ATOM 0 H VAL A 38 -9.907 -12.203 11.078 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.667 -9.581 12.168 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.434 -10.573 9.904 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.263 -8.252 9.089 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.025 -8.337 10.696 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.329 -7.818 10.541 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.583 -9.911 8.415 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.576 -9.551 9.838 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.107 -11.220 9.523 1.00 0.61 H new ATOM 297 N THR A 39 -11.660 -9.485 13.665 1.00 0.56 N ATOM 298 CA THR A 39 -12.832 -9.315 14.505 1.00 0.58 C ATOM 299 C THR A 39 -13.294 -7.860 14.501 1.00 0.55 C ATOM 300 O THR A 39 -12.541 -6.963 14.893 1.00 0.55 O ATOM 301 CB THR A 39 -12.528 -9.752 15.945 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.421 -10.668 15.947 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.739 -10.417 16.576 1.00 0.74 C ATOM 0 H THR A 39 -10.817 -9.034 14.021 1.00 0.56 H new ATOM 0 HA THR A 39 -13.628 -9.940 14.101 1.00 0.58 H new ATOM 0 HB THR A 39 -12.276 -8.867 16.529 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.590 -11.384 16.594 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.499 -10.718 17.596 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.573 -9.715 16.592 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.016 -11.296 15.994 1.00 0.74 H new ATOM 311 N PRO A 40 -14.526 -7.605 14.039 1.00 0.55 N ATOM 312 CA PRO A 40 -15.087 -6.251 13.972 1.00 0.54 C ATOM 313 C PRO A 40 -15.294 -5.619 15.344 1.00 0.56 C ATOM 314 O PRO A 40 -15.501 -6.315 16.341 1.00 0.63 O ATOM 315 CB PRO A 40 -16.443 -6.447 13.280 1.00 0.56 C ATOM 316 CG PRO A 40 -16.401 -7.807 12.679 1.00 0.65 C ATOM 317 CD PRO A 40 -15.475 -8.615 13.539 1.00 0.58 C ATOM 0 HA PRO A 40 -14.411 -5.576 13.447 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.262 -6.361 13.994 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.605 -5.687 12.516 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.396 -8.252 12.653 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.042 -7.767 11.651 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.007 -9.108 14.353 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.971 -9.395 12.968 1.00 0.58 H new ATOM 325 N ASP A 41 -15.221 -4.294 15.386 1.00 0.53 N ATOM 326 CA ASP A 41 -15.428 -3.551 16.618 1.00 0.56 C ATOM 327 C ASP A 41 -16.920 -3.306 16.802 1.00 0.58 C ATOM 328 O ASP A 41 -17.695 -3.447 15.855 1.00 0.66 O ATOM 329 CB ASP A 41 -14.677 -2.218 16.572 1.00 0.57 C ATOM 330 CG ASP A 41 -14.258 -1.729 17.945 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.143 -1.504 18.803 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.041 -1.549 18.167 1.00 0.68 O ATOM 0 H ASP A 41 -15.018 -3.711 14.574 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.043 -4.129 17.458 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.792 -2.327 15.945 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.310 -1.466 16.102 1.00 0.57 H new ATOM 337 N LYS A 42 -17.317 -2.941 18.007 1.00 0.61 N ATOM 338 CA LYS A 42 -18.721 -2.692 18.299 1.00 0.64 C ATOM 339 C LYS A 42 -18.936 -1.239 18.703 1.00 0.64 C ATOM 340 O LYS A 42 -20.045 -0.836 19.065 1.00 0.76 O ATOM 341 CB LYS A 42 -19.203 -3.636 19.399 1.00 0.71 C ATOM 342 CG LYS A 42 -18.960 -5.099 19.073 1.00 0.72 C ATOM 343 CD LYS A 42 -19.421 -6.009 20.196 1.00 0.84 C ATOM 344 CE LYS A 42 -18.944 -7.435 19.977 1.00 0.90 C ATOM 345 NZ LYS A 42 -19.516 -8.381 20.972 1.00 1.08 N ATOM 0 H LYS A 42 -16.690 -2.810 18.800 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.304 -2.881 17.398 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.696 -3.388 20.331 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.269 -3.478 19.564 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.486 -5.359 18.155 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -17.898 -5.259 18.888 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.041 -5.638 21.148 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.509 -5.992 20.258 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -19.219 -7.757 18.973 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -17.856 -7.465 20.035 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -19.162 -9.340 20.782 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -19.233 -8.091 21.930 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -20.554 -8.374 20.901 1.00 1.08 H new ATOM 359 N ARG A 43 -17.867 -0.458 18.643 1.00 0.58 N ATOM 360 CA ARG A 43 -17.929 0.954 18.986 1.00 0.58 C ATOM 361 C ARG A 43 -18.411 1.775 17.802 1.00 0.55 C ATOM 362 O ARG A 43 -18.169 1.419 16.645 1.00 0.55 O ATOM 363 CB ARG A 43 -16.556 1.473 19.404 1.00 0.58 C ATOM 364 CG ARG A 43 -16.120 1.044 20.790 1.00 0.60 C ATOM 365 CD ARG A 43 -14.682 1.458 21.050 1.00 0.60 C ATOM 366 NE ARG A 43 -13.755 0.814 20.117 1.00 0.57 N ATOM 367 CZ ARG A 43 -12.621 1.366 19.680 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.267 2.576 20.080 1.00 0.62 N ATOM 369 NH2 ARG A 43 -11.851 0.706 18.826 1.00 0.57 N ATOM 0 H ARG A 43 -16.942 -0.781 18.358 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.629 1.055 19.816 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -15.816 1.130 18.681 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.564 2.562 19.360 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -16.774 1.492 21.538 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.216 -0.037 20.889 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.594 2.541 20.961 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.408 1.198 22.073 1.00 0.60 H new ATOM 0 HE ARG A 43 -13.992 -0.119 19.779 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -12.862 3.094 20.727 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.399 2.991 19.742 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.126 -0.222 18.504 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -10.984 1.126 18.491 1.00 0.57 H new ATOM 383 N LYS A 44 -19.093 2.869 18.093 1.00 0.57 N ATOM 384 CA LYS A 44 -19.570 3.757 17.053 1.00 0.56 C ATOM 385 C LYS A 44 -18.412 4.632 16.612 1.00 0.53 C ATOM 386 O LYS A 44 -17.846 5.370 17.416 1.00 0.59 O ATOM 387 CB LYS A 44 -20.732 4.611 17.565 1.00 0.62 C ATOM 388 CG LYS A 44 -21.905 3.784 18.059 1.00 0.70 C ATOM 389 CD LYS A 44 -23.102 4.650 18.403 1.00 0.79 C ATOM 390 CE LYS A 44 -24.227 3.822 18.998 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.549 4.473 18.811 1.00 1.07 N ATOM 0 H LYS A 44 -19.328 3.162 19.041 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.940 3.178 16.207 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.378 5.248 18.375 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.071 5.270 16.766 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.188 3.061 17.294 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.603 3.215 18.939 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.803 5.423 19.110 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.456 5.158 17.506 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.238 2.836 18.533 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.044 3.670 20.062 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.292 3.878 19.230 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.547 5.403 19.276 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.735 4.595 17.795 1.00 1.07 H new ATOM 405 N GLY A 45 -18.041 4.537 15.350 1.00 0.52 N ATOM 406 CA GLY A 45 -16.925 5.312 14.869 1.00 0.51 C ATOM 407 C GLY A 45 -17.273 6.192 13.699 1.00 0.48 C ATOM 408 O GLY A 45 -18.285 5.985 13.026 1.00 0.50 O ATOM 0 H GLY A 45 -18.489 3.941 14.654 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.545 5.932 15.681 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.120 4.636 14.580 1.00 0.51 H new ATOM 412 N LEU A 46 -16.432 7.181 13.475 1.00 0.46 N ATOM 413 CA LEU A 46 -16.613 8.113 12.383 1.00 0.45 C ATOM 414 C LEU A 46 -15.365 8.141 11.512 1.00 0.41 C ATOM 415 O LEU A 46 -14.278 8.490 11.979 1.00 0.42 O ATOM 416 CB LEU A 46 -16.905 9.516 12.920 1.00 0.47 C ATOM 417 CG LEU A 46 -17.083 10.598 11.852 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.517 10.616 11.340 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.688 11.961 12.404 1.00 0.59 C ATOM 0 H LEU A 46 -15.605 7.360 14.045 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.462 7.785 11.783 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.810 9.475 13.527 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.091 9.811 13.582 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.427 10.366 11.013 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.623 11.392 10.582 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.760 9.647 10.904 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.196 10.822 12.167 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.821 12.719 11.632 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.317 12.203 13.261 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.644 11.939 12.715 1.00 0.59 H new ATOM 431 N VAL A 47 -15.524 7.752 10.260 1.00 0.40 N ATOM 432 CA VAL A 47 -14.424 7.754 9.312 1.00 0.39 C ATOM 433 C VAL A 47 -14.412 9.092 8.597 1.00 0.37 C ATOM 434 O VAL A 47 -15.404 9.467 7.969 1.00 0.40 O ATOM 435 CB VAL A 47 -14.550 6.621 8.275 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.418 6.688 7.263 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.566 5.268 8.965 1.00 0.43 C ATOM 0 H VAL A 47 -16.411 7.428 9.874 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.496 7.592 9.860 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.492 6.750 7.742 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.527 5.879 6.541 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.451 7.645 6.743 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.463 6.588 7.778 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.655 4.480 8.218 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.640 5.134 9.525 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.414 5.218 9.648 1.00 0.43 H new ATOM 447 N TYR A 48 -13.314 9.819 8.706 1.00 0.37 N ATOM 448 CA TYR A 48 -13.226 11.122 8.075 1.00 0.37 C ATOM 449 C TYR A 48 -11.911 11.302 7.334 1.00 0.34 C ATOM 450 O TYR A 48 -10.891 10.706 7.687 1.00 0.36 O ATOM 451 CB TYR A 48 -13.408 12.233 9.118 1.00 0.43 C ATOM 452 CG TYR A 48 -12.276 12.347 10.119 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.223 11.527 11.240 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.266 13.287 9.947 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.196 11.640 12.157 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.238 13.407 10.861 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.209 12.581 11.964 1.00 0.64 C ATOM 458 OH TYR A 48 -9.190 12.701 12.879 1.00 0.78 O ATOM 0 H TYR A 48 -12.480 9.533 9.219 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.029 11.188 7.341 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.515 13.186 8.600 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.338 12.057 9.659 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.997 10.790 11.397 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.286 13.935 9.083 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -11.167 10.993 13.021 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.462 14.143 10.713 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.362 12.346 12.495 1.00 0.78 H new ATOM 468 N ILE A 49 -11.960 12.121 6.295 1.00 0.33 N ATOM 469 CA ILE A 49 -10.796 12.426 5.480 1.00 0.32 C ATOM 470 C ILE A 49 -10.489 13.915 5.570 1.00 0.30 C ATOM 471 O ILE A 49 -11.286 14.749 5.135 1.00 0.35 O ATOM 472 CB ILE A 49 -11.023 12.035 4.004 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.399 10.553 3.894 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.777 12.331 3.179 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.691 10.102 2.479 1.00 0.69 C ATOM 0 H ILE A 49 -12.812 12.594 5.993 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.955 11.846 5.859 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.848 12.630 3.611 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.585 9.950 4.297 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.275 10.363 4.514 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.953 12.050 2.141 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.549 13.396 3.233 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.936 11.760 3.572 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.949 9.043 2.481 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.525 10.678 2.078 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.809 10.259 1.858 1.00 0.69 H new ATOM 487 N GLN A 50 -9.346 14.246 6.150 1.00 0.30 N ATOM 488 CA GLN A 50 -8.947 15.638 6.303 1.00 0.33 C ATOM 489 C GLN A 50 -7.637 15.899 5.564 1.00 0.30 C ATOM 490 O GLN A 50 -6.860 14.979 5.324 1.00 0.36 O ATOM 491 CB GLN A 50 -8.793 15.983 7.788 1.00 0.42 C ATOM 492 CG GLN A 50 -8.667 17.472 8.064 1.00 0.51 C ATOM 493 CD GLN A 50 -8.234 17.773 9.485 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.535 16.983 10.116 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.646 18.921 9.994 1.00 0.86 N ATOM 0 H GLN A 50 -8.678 13.571 6.523 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.722 16.272 5.873 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.653 15.594 8.332 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.912 15.475 8.180 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.947 17.905 7.370 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.625 17.955 7.871 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.225 19.548 9.435 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.385 19.180 10.945 1.00 0.86 H new ATOM 504 N GLN A 51 -7.407 17.148 5.198 1.00 0.37 N ATOM 505 CA GLN A 51 -6.192 17.529 4.496 1.00 0.37 C ATOM 506 C GLN A 51 -5.511 18.674 5.230 1.00 0.39 C ATOM 507 O GLN A 51 -6.122 19.716 5.468 1.00 0.51 O ATOM 508 CB GLN A 51 -6.522 17.942 3.063 1.00 0.44 C ATOM 509 CG GLN A 51 -5.313 18.012 2.147 1.00 0.52 C ATOM 510 CD GLN A 51 -5.696 18.336 0.715 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.663 19.058 0.468 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.949 17.796 -0.238 1.00 0.93 N ATOM 0 H GLN A 51 -8.049 17.920 5.376 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.515 16.675 4.466 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.239 17.234 2.648 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.009 18.917 3.080 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.623 18.770 2.517 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.784 17.059 2.173 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.156 17.204 0.009 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -5.167 17.973 -1.219 1.00 0.93 H new ATOM 521 N THR A 52 -4.255 18.474 5.599 1.00 0.38 N ATOM 522 CA THR A 52 -3.500 19.487 6.316 1.00 0.45 C ATOM 523 C THR A 52 -2.860 20.498 5.361 1.00 0.36 C ATOM 524 O THR A 52 -3.015 20.402 4.140 1.00 0.33 O ATOM 525 CB THR A 52 -2.413 18.834 7.185 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.131 17.513 6.695 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.853 18.757 8.641 1.00 0.80 C ATOM 0 H THR A 52 -3.737 17.616 5.412 1.00 0.38 H new ATOM 0 HA THR A 52 -4.202 20.022 6.956 1.00 0.45 H new ATOM 0 HB THR A 52 -1.514 19.447 7.129 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.651 17.576 5.843 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.066 18.291 9.235 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.044 19.762 9.017 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.764 18.163 8.715 1.00 0.80 H new ATOM 535 N ASP A 53 -2.136 21.464 5.928 1.00 0.40 N ATOM 536 CA ASP A 53 -1.471 22.513 5.149 1.00 0.41 C ATOM 537 C ASP A 53 -0.438 21.933 4.188 1.00 0.39 C ATOM 538 O ASP A 53 -0.148 22.519 3.143 1.00 0.52 O ATOM 539 CB ASP A 53 -0.801 23.530 6.082 1.00 0.52 C ATOM 540 CG ASP A 53 0.523 23.045 6.644 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.517 22.147 7.519 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.578 23.561 6.220 1.00 0.74 O ATOM 0 H ASP A 53 -1.994 21.543 6.935 1.00 0.40 H new ATOM 0 HA ASP A 53 -2.237 23.015 4.558 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.638 24.460 5.538 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.477 23.757 6.906 1.00 0.52 H new ATOM 547 N ASP A 54 0.090 20.770 4.534 1.00 0.42 N ATOM 548 CA ASP A 54 1.095 20.094 3.717 1.00 0.55 C ATOM 549 C ASP A 54 0.453 19.403 2.518 1.00 0.45 C ATOM 550 O ASP A 54 1.142 18.751 1.728 1.00 0.52 O ATOM 551 CB ASP A 54 1.861 19.066 4.555 1.00 0.73 C ATOM 552 CG ASP A 54 0.955 18.273 5.478 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.179 17.946 5.075 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.372 17.989 6.619 1.00 1.10 O ATOM 0 H ASP A 54 -0.162 20.267 5.385 1.00 0.42 H new ATOM 0 HA ASP A 54 1.790 20.850 3.351 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.386 18.380 3.890 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.619 19.578 5.148 1.00 0.73 H new ATOM 559 N SER A 55 -0.868 19.546 2.401 1.00 0.36 N ATOM 560 CA SER A 55 -1.639 18.957 1.310 1.00 0.40 C ATOM 561 C SER A 55 -1.680 17.431 1.413 1.00 0.37 C ATOM 562 O SER A 55 -2.001 16.741 0.440 1.00 0.52 O ATOM 563 CB SER A 55 -1.078 19.397 -0.049 1.00 0.57 C ATOM 564 OG SER A 55 -1.090 20.813 -0.172 1.00 0.66 O ATOM 0 H SER A 55 -1.434 20.076 3.064 1.00 0.36 H new ATOM 0 HA SER A 55 -2.663 19.320 1.394 1.00 0.40 H new ATOM 0 HB2 SER A 55 -0.059 19.027 -0.162 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.669 18.954 -0.851 1.00 0.57 H new ATOM 0 HG SER A 55 -0.726 21.069 -1.045 1.00 0.66 H new ATOM 570 N LEU A 56 -1.378 16.908 2.595 1.00 0.28 N ATOM 571 CA LEU A 56 -1.394 15.469 2.809 1.00 0.31 C ATOM 572 C LEU A 56 -2.777 15.014 3.260 1.00 0.27 C ATOM 573 O LEU A 56 -3.380 15.610 4.154 1.00 0.30 O ATOM 574 CB LEU A 56 -0.338 15.057 3.839 1.00 0.38 C ATOM 575 CG LEU A 56 1.119 15.228 3.390 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.069 14.674 4.445 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.352 14.550 2.047 1.00 0.48 C ATOM 0 H LEU A 56 -1.120 17.457 3.415 1.00 0.28 H new ATOM 0 HA LEU A 56 -1.156 14.983 1.863 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.492 15.641 4.746 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.499 14.012 4.102 1.00 0.38 H new ATOM 0 HG LEU A 56 1.319 16.293 3.271 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.099 14.803 4.111 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.922 15.209 5.384 1.00 0.49 H new ATOM 0 HD13 LEU A 56 1.867 13.614 4.596 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.391 14.684 1.747 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.133 13.486 2.134 1.00 0.48 H new ATOM 0 HD23 LEU A 56 0.698 14.995 1.297 1.00 0.48 H new ATOM 589 N ILE A 57 -3.276 13.966 2.626 1.00 0.27 N ATOM 590 CA ILE A 57 -4.585 13.419 2.949 1.00 0.26 C ATOM 591 C ILE A 57 -4.501 12.522 4.180 1.00 0.24 C ATOM 592 O ILE A 57 -3.706 11.587 4.222 1.00 0.29 O ATOM 593 CB ILE A 57 -5.153 12.616 1.759 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.375 13.532 0.549 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.448 11.917 2.146 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.448 14.581 0.758 1.00 0.57 C ATOM 0 H ILE A 57 -2.790 13.472 1.878 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.254 14.253 3.161 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.425 11.853 1.485 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.436 14.031 0.307 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.643 12.920 -0.313 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.829 11.358 1.291 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.259 11.232 2.973 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -7.185 12.660 2.451 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.544 15.188 -0.142 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.399 14.092 0.969 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -6.174 15.219 1.598 1.00 0.57 H new ATOM 608 N HIS A 58 -5.310 12.816 5.183 1.00 0.25 N ATOM 609 CA HIS A 58 -5.319 12.036 6.408 1.00 0.27 C ATOM 610 C HIS A 58 -6.593 11.219 6.533 1.00 0.27 C ATOM 611 O HIS A 58 -7.696 11.766 6.571 1.00 0.33 O ATOM 612 CB HIS A 58 -5.184 12.943 7.632 1.00 0.32 C ATOM 613 CG HIS A 58 -3.783 13.385 7.909 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.954 12.755 8.814 1.00 0.51 N ATOM 615 CD2 HIS A 58 -3.066 14.413 7.399 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.791 13.374 8.845 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.834 14.383 7.997 1.00 0.59 N ATOM 0 H HIS A 58 -5.972 13.592 5.173 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.467 11.358 6.363 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.811 13.824 7.490 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.568 12.416 8.506 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.202 11.938 9.372 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.402 15.124 6.659 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.946 13.101 9.460 1.00 0.61 H new ATOM 626 N PHE A 59 -6.424 9.910 6.573 1.00 0.27 N ATOM 627 CA PHE A 59 -7.527 8.982 6.737 1.00 0.28 C ATOM 628 C PHE A 59 -7.521 8.534 8.189 1.00 0.31 C ATOM 629 O PHE A 59 -6.649 7.763 8.602 1.00 0.36 O ATOM 630 CB PHE A 59 -7.358 7.786 5.794 1.00 0.31 C ATOM 631 CG PHE A 59 -8.589 6.936 5.639 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.549 7.255 4.690 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.781 5.818 6.432 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.676 6.472 4.539 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.908 5.031 6.285 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.857 5.360 5.337 1.00 0.94 C ATOM 0 H PHE A 59 -5.513 9.459 6.492 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.477 9.455 6.490 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.059 8.153 4.812 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.544 7.161 6.162 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.414 8.124 4.063 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.041 5.557 7.175 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.416 6.730 3.796 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.046 4.161 6.910 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.739 4.748 5.220 1.00 0.94 H new ATOM 646 N CYS A 60 -8.464 9.026 8.973 1.00 0.33 N ATOM 647 CA CYS A 60 -8.494 8.694 10.384 1.00 0.38 C ATOM 648 C CYS A 60 -9.856 8.185 10.846 1.00 0.38 C ATOM 649 O CYS A 60 -10.888 8.482 10.244 1.00 0.40 O ATOM 650 CB CYS A 60 -8.104 9.926 11.203 1.00 0.43 C ATOM 651 SG CYS A 60 -7.167 11.170 10.277 1.00 0.46 S ATOM 0 H CYS A 60 -9.209 9.649 8.661 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.781 7.884 10.540 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.010 10.388 11.596 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.512 9.606 12.060 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.070 11.452 10.916 1.00 0.46 H new ATOM 657 N TRP A 61 -9.827 7.411 11.922 1.00 0.39 N ATOM 658 CA TRP A 61 -11.027 6.857 12.527 1.00 0.39 C ATOM 659 C TRP A 61 -11.159 7.417 13.938 1.00 0.42 C ATOM 660 O TRP A 61 -10.248 7.267 14.758 1.00 0.45 O ATOM 661 CB TRP A 61 -10.948 5.326 12.572 1.00 0.40 C ATOM 662 CG TRP A 61 -12.215 4.660 13.032 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.275 4.295 12.254 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.548 4.270 14.371 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.248 3.709 13.025 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.824 3.679 14.328 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.893 4.364 15.603 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.455 3.181 15.465 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.523 3.873 16.733 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.791 3.286 16.656 1.00 0.52 C ATOM 0 H TRP A 61 -8.965 7.149 12.401 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.898 7.132 11.933 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.696 4.956 11.578 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.135 5.034 13.236 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.339 4.445 11.186 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.141 3.354 12.684 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -10.913 4.812 15.671 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.434 2.728 15.408 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.028 3.944 17.690 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.255 2.908 17.555 1.00 0.52 H new ATOM 681 N LYS A 62 -12.267 8.082 14.211 1.00 0.46 N ATOM 682 CA LYS A 62 -12.477 8.669 15.524 1.00 0.50 C ATOM 683 C LYS A 62 -13.591 7.963 16.284 1.00 0.51 C ATOM 684 O LYS A 62 -14.648 7.656 15.728 1.00 0.51 O ATOM 685 CB LYS A 62 -12.798 10.160 15.397 1.00 0.57 C ATOM 686 CG LYS A 62 -12.905 10.872 16.738 1.00 0.63 C ATOM 687 CD LYS A 62 -13.252 12.342 16.574 1.00 0.75 C ATOM 688 CE LYS A 62 -14.712 12.541 16.203 1.00 0.93 C ATOM 689 NZ LYS A 62 -15.031 13.972 15.952 1.00 1.04 N ATOM 0 H LYS A 62 -13.029 8.229 13.549 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.553 8.545 16.089 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.024 10.641 14.799 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.737 10.277 14.856 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.666 10.385 17.347 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -11.960 10.780 17.274 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -13.038 12.871 17.502 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -12.618 12.781 15.803 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.943 11.956 15.313 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -15.345 12.163 17.006 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -16.036 14.065 15.702 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -14.835 14.527 16.809 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.445 14.326 15.169 1.00 1.04 H new ATOM 703 N ASP A 63 -13.326 7.708 17.558 1.00 0.53 N ATOM 704 CA ASP A 63 -14.287 7.070 18.447 1.00 0.55 C ATOM 705 C ASP A 63 -15.397 8.068 18.771 1.00 0.57 C ATOM 706 O ASP A 63 -15.118 9.161 19.262 1.00 0.62 O ATOM 707 CB ASP A 63 -13.571 6.622 19.732 1.00 0.61 C ATOM 708 CG ASP A 63 -14.383 5.654 20.573 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.586 5.911 20.792 1.00 0.92 O ATOM 710 OD2 ASP A 63 -13.807 4.643 21.039 1.00 1.09 O ATOM 0 H ASP A 63 -12.438 7.938 18.004 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.724 6.194 17.968 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.624 6.153 19.466 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.334 7.501 20.331 1.00 0.61 H new ATOM 715 N ARG A 64 -16.645 7.706 18.499 1.00 0.58 N ATOM 716 CA ARG A 64 -17.770 8.611 18.744 1.00 0.61 C ATOM 717 C ARG A 64 -18.153 8.672 20.223 1.00 0.66 C ATOM 718 O ARG A 64 -19.016 9.464 20.610 1.00 0.75 O ATOM 719 CB ARG A 64 -18.989 8.205 17.912 1.00 0.63 C ATOM 720 CG ARG A 64 -18.818 8.431 16.418 1.00 0.63 C ATOM 721 CD ARG A 64 -20.086 8.077 15.652 1.00 0.65 C ATOM 722 NE ARG A 64 -21.128 9.096 15.804 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.438 8.835 15.851 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.881 7.583 15.752 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.309 9.831 15.990 1.00 1.14 N ATOM 0 H ARG A 64 -16.906 6.799 18.111 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.441 9.605 18.442 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.202 7.151 18.088 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.856 8.767 18.258 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.559 9.474 16.234 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.989 7.827 16.050 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.848 7.958 14.595 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.465 7.117 16.004 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.834 10.070 15.879 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.219 6.815 15.639 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.882 7.392 15.789 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -22.977 10.793 16.061 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.309 9.633 16.026 1.00 1.14 H new ATOM 739 N THR A 65 -17.530 7.849 21.051 1.00 0.68 N ATOM 740 CA THR A 65 -17.841 7.848 22.470 1.00 0.74 C ATOM 741 C THR A 65 -16.973 8.854 23.225 1.00 0.75 C ATOM 742 O THR A 65 -17.478 9.665 24.003 1.00 0.83 O ATOM 743 CB THR A 65 -17.654 6.454 23.097 1.00 0.76 C ATOM 744 OG1 THR A 65 -17.731 5.436 22.087 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.716 6.206 24.157 1.00 0.93 C ATOM 0 H THR A 65 -16.814 7.180 20.769 1.00 0.68 H new ATOM 0 HA THR A 65 -18.889 8.134 22.558 1.00 0.74 H new ATOM 0 HB THR A 65 -16.669 6.416 23.563 1.00 0.76 H new ATOM 0 HG1 THR A 65 -16.840 5.284 21.708 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.572 5.217 24.592 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.634 6.962 24.938 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.705 6.261 23.701 1.00 0.93 H new ATOM 753 N SER A 66 -15.671 8.807 22.982 1.00 0.71 N ATOM 754 CA SER A 66 -14.743 9.700 23.657 1.00 0.75 C ATOM 755 C SER A 66 -14.333 10.874 22.773 1.00 0.73 C ATOM 756 O SER A 66 -13.935 11.929 23.268 1.00 0.79 O ATOM 757 CB SER A 66 -13.505 8.915 24.077 1.00 0.75 C ATOM 758 OG SER A 66 -13.099 8.036 23.039 1.00 0.75 O ATOM 0 H SER A 66 -15.235 8.161 22.324 1.00 0.71 H new ATOM 0 HA SER A 66 -15.247 10.110 24.532 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.695 9.603 24.317 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.718 8.345 24.982 1.00 0.75 H new ATOM 0 HG SER A 66 -12.303 7.541 23.323 1.00 0.75 H new ATOM 764 N GLY A 67 -14.436 10.693 21.466 1.00 0.67 N ATOM 765 CA GLY A 67 -14.032 11.735 20.548 1.00 0.67 C ATOM 766 C GLY A 67 -12.538 11.689 20.323 1.00 0.65 C ATOM 767 O GLY A 67 -11.929 12.661 19.878 1.00 0.70 O ATOM 0 H GLY A 67 -14.792 9.845 21.025 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.553 11.614 19.598 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.316 12.709 20.946 1.00 0.67 H new ATOM 771 N ASN A 68 -11.957 10.543 20.641 1.00 0.63 N ATOM 772 CA ASN A 68 -10.525 10.332 20.507 1.00 0.63 C ATOM 773 C ASN A 68 -10.202 9.682 19.166 1.00 0.58 C ATOM 774 O ASN A 68 -10.891 8.754 18.736 1.00 0.58 O ATOM 775 CB ASN A 68 -10.028 9.443 21.653 1.00 0.68 C ATOM 776 CG ASN A 68 -8.573 9.679 21.998 1.00 0.85 C ATOM 777 OD1 ASN A 68 -7.888 10.471 21.355 1.00 1.01 O ATOM 778 ND2 ASN A 68 -8.089 8.989 23.020 1.00 1.01 N ATOM 0 H ASN A 68 -12.465 9.734 20.999 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.021 11.298 20.552 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.639 9.624 22.537 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -10.166 8.397 21.380 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -7.115 9.106 23.298 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -8.691 8.341 23.528 1.00 1.01 H new ATOM 785 N VAL A 69 -9.170 10.184 18.499 1.00 0.56 N ATOM 786 CA VAL A 69 -8.752 9.635 17.216 1.00 0.53 C ATOM 787 C VAL A 69 -7.870 8.417 17.446 1.00 0.51 C ATOM 788 O VAL A 69 -6.775 8.523 18.002 1.00 0.59 O ATOM 789 CB VAL A 69 -8.004 10.677 16.359 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.682 10.109 14.987 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.825 11.951 16.224 1.00 0.63 C ATOM 0 H VAL A 69 -8.608 10.970 18.825 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.648 9.345 16.667 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.068 10.921 16.861 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.155 10.859 14.397 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.053 9.226 15.097 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.607 9.834 14.481 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.279 12.673 15.616 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.778 11.721 15.747 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.007 12.373 17.212 1.00 0.63 H new ATOM 801 N GLU A 70 -8.359 7.264 17.019 1.00 0.49 N ATOM 802 CA GLU A 70 -7.647 6.009 17.214 1.00 0.51 C ATOM 803 C GLU A 70 -6.586 5.775 16.144 1.00 0.50 C ATOM 804 O GLU A 70 -5.427 5.503 16.457 1.00 0.62 O ATOM 805 CB GLU A 70 -8.638 4.847 17.221 1.00 0.55 C ATOM 806 CG GLU A 70 -8.076 3.561 17.801 1.00 0.81 C ATOM 807 CD GLU A 70 -9.146 2.718 18.456 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.700 3.148 19.494 1.00 0.71 O ATOM 809 OE2 GLU A 70 -9.443 1.618 17.941 1.00 0.69 O ATOM 0 H GLU A 70 -9.251 7.170 16.533 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.136 6.070 18.175 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.519 5.137 17.793 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -8.969 4.659 16.200 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -7.596 2.986 17.009 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -7.305 3.801 18.533 1.00 0.81 H new ATOM 816 N ASP A 71 -6.980 5.877 14.883 1.00 0.47 N ATOM 817 CA ASP A 71 -6.058 5.645 13.778 1.00 0.46 C ATOM 818 C ASP A 71 -5.914 6.885 12.911 1.00 0.43 C ATOM 819 O ASP A 71 -6.866 7.648 12.756 1.00 0.46 O ATOM 820 CB ASP A 71 -6.546 4.476 12.914 1.00 0.51 C ATOM 821 CG ASP A 71 -6.463 3.142 13.628 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.364 2.538 13.647 1.00 0.73 O ATOM 823 OD2 ASP A 71 -7.489 2.688 14.176 1.00 0.61 O ATOM 0 H ASP A 71 -7.929 6.118 14.599 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.085 5.403 14.205 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.578 4.658 12.614 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.951 4.432 12.001 1.00 0.51 H new ATOM 828 N ASP A 72 -4.716 7.084 12.373 1.00 0.43 N ATOM 829 CA ASP A 72 -4.428 8.218 11.496 1.00 0.42 C ATOM 830 C ASP A 72 -3.361 7.826 10.480 1.00 0.42 C ATOM 831 O ASP A 72 -2.222 7.527 10.849 1.00 0.52 O ATOM 832 CB ASP A 72 -3.948 9.430 12.306 1.00 0.48 C ATOM 833 CG ASP A 72 -3.768 10.681 11.454 1.00 0.59 C ATOM 834 OD1 ASP A 72 -2.818 10.737 10.645 1.00 1.05 O ATOM 835 OD2 ASP A 72 -4.577 11.626 11.598 1.00 0.99 O ATOM 0 H ASP A 72 -3.919 6.468 12.530 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.346 8.492 10.977 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.666 9.637 13.099 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.001 9.186 12.788 1.00 0.48 H new ATOM 840 N LEU A 73 -3.732 7.796 9.210 1.00 0.36 N ATOM 841 CA LEU A 73 -2.794 7.440 8.155 1.00 0.38 C ATOM 842 C LEU A 73 -2.794 8.484 7.050 1.00 0.34 C ATOM 843 O LEU A 73 -3.805 9.136 6.799 1.00 0.42 O ATOM 844 CB LEU A 73 -3.141 6.071 7.566 1.00 0.44 C ATOM 845 CG LEU A 73 -2.853 4.870 8.472 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.414 3.598 7.857 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.357 4.729 8.722 1.00 0.92 C ATOM 0 H LEU A 73 -4.674 8.013 8.884 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.799 7.398 8.597 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.200 6.064 7.309 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.586 5.944 6.636 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.343 5.037 9.431 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.202 2.753 8.512 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.492 3.699 7.733 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.951 3.429 6.885 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.175 3.870 9.368 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.841 4.585 7.773 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.982 5.631 9.205 1.00 0.92 H new ATOM 859 N ILE A 74 -1.649 8.639 6.398 1.00 0.29 N ATOM 860 CA ILE A 74 -1.511 9.591 5.306 1.00 0.28 C ATOM 861 C ILE A 74 -1.671 8.866 3.971 1.00 0.30 C ATOM 862 O ILE A 74 -0.890 7.983 3.639 1.00 0.51 O ATOM 863 CB ILE A 74 -0.149 10.312 5.365 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.060 10.938 6.747 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.068 11.371 4.283 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.450 11.499 6.964 1.00 0.59 C ATOM 0 H ILE A 74 -0.800 8.115 6.608 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.291 10.346 5.403 1.00 0.28 H new ATOM 0 HB ILE A 74 0.642 9.582 5.193 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.669 11.736 6.887 1.00 0.43 H new ATOM 0 HG13 ILE A 74 -0.140 10.186 7.510 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.898 11.872 4.336 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.180 10.902 3.306 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.864 12.101 4.428 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.518 11.924 7.965 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.185 10.701 6.858 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.648 12.276 6.226 1.00 0.59 H new ATOM 878 N ILE A 75 -2.681 9.243 3.208 1.00 0.24 N ATOM 879 CA ILE A 75 -2.963 8.580 1.941 1.00 0.23 C ATOM 880 C ILE A 75 -2.341 9.293 0.738 1.00 0.24 C ATOM 881 O ILE A 75 -2.330 10.525 0.662 1.00 0.26 O ATOM 882 CB ILE A 75 -4.483 8.454 1.722 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.166 7.899 2.980 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.769 7.571 0.524 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.670 6.528 3.402 1.00 0.31 C ATOM 0 H ILE A 75 -3.320 10.003 3.440 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.508 7.592 2.010 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.889 9.446 1.525 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.012 8.598 3.802 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.240 7.846 2.804 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.846 7.490 0.380 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.316 8.007 -0.366 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.350 6.579 0.695 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.202 6.208 4.298 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.849 5.813 2.599 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.602 6.577 3.613 1.00 0.31 H new ATOM 897 N PHE A 76 -1.845 8.492 -0.205 1.00 0.27 N ATOM 898 CA PHE A 76 -1.230 8.992 -1.429 1.00 0.31 C ATOM 899 C PHE A 76 -1.788 8.232 -2.632 1.00 0.32 C ATOM 900 O PHE A 76 -2.265 7.103 -2.483 1.00 0.35 O ATOM 901 CB PHE A 76 0.291 8.800 -1.394 1.00 0.34 C ATOM 902 CG PHE A 76 0.960 9.391 -0.191 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.402 10.703 -0.201 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.156 8.628 0.945 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.027 11.243 0.905 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.777 9.159 2.050 1.00 0.50 C ATOM 907 CZ PHE A 76 2.214 10.469 2.032 1.00 0.58 C ATOM 0 H PHE A 76 -1.860 7.474 -0.139 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.456 10.055 -1.512 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.512 7.733 -1.430 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.722 9.245 -2.290 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.256 11.310 -1.083 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.817 7.603 0.964 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.368 12.267 0.888 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.923 8.552 2.932 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.702 10.888 2.900 1.00 0.58 H new ATOM 917 N PRO A 77 -1.747 8.835 -3.833 1.00 0.36 N ATOM 918 CA PRO A 77 -2.229 8.186 -5.057 1.00 0.38 C ATOM 919 C PRO A 77 -1.326 7.028 -5.483 1.00 0.33 C ATOM 920 O PRO A 77 -0.222 6.872 -4.957 1.00 0.33 O ATOM 921 CB PRO A 77 -2.193 9.303 -6.108 1.00 0.45 C ATOM 922 CG PRO A 77 -1.987 10.571 -5.352 1.00 0.55 C ATOM 923 CD PRO A 77 -1.257 10.196 -4.097 1.00 0.44 C ATOM 0 HA PRO A 77 -3.220 7.752 -4.921 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.387 9.140 -6.823 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.122 9.334 -6.676 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.410 11.285 -5.939 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.941 11.046 -5.121 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.176 10.218 -4.235 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.487 10.876 -3.276 1.00 0.44 H new ATOM 931 N ASP A 78 -1.804 6.232 -6.448 1.00 0.40 N ATOM 932 CA ASP A 78 -1.077 5.057 -6.976 1.00 0.46 C ATOM 933 C ASP A 78 -0.563 4.174 -5.845 1.00 0.45 C ATOM 934 O ASP A 78 0.473 3.518 -5.982 1.00 0.60 O ATOM 935 CB ASP A 78 0.100 5.427 -7.927 1.00 0.53 C ATOM 936 CG ASP A 78 0.433 6.905 -7.992 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.267 7.645 -8.719 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.420 7.336 -7.349 1.00 1.36 O ATOM 0 H ASP A 78 -2.711 6.381 -6.891 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.808 4.507 -7.569 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.989 4.884 -7.608 1.00 0.53 H new ATOM 0 HB3 ASP A 78 -0.142 5.080 -8.932 1.00 0.53 H new ATOM 943 N ASP A 79 -1.294 4.134 -4.731 1.00 0.53 N ATOM 944 CA ASP A 79 -0.862 3.340 -3.587 1.00 0.61 C ATOM 945 C ASP A 79 -2.017 2.908 -2.687 1.00 0.59 C ATOM 946 O ASP A 79 -1.798 2.189 -1.713 1.00 1.11 O ATOM 947 CB ASP A 79 0.132 4.144 -2.753 1.00 0.80 C ATOM 948 CG ASP A 79 1.243 3.286 -2.190 1.00 1.12 C ATOM 949 OD1 ASP A 79 2.037 2.743 -2.996 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.349 3.175 -0.956 1.00 1.74 O ATOM 0 H ASP A 79 -2.173 4.634 -4.599 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.402 2.437 -3.989 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.563 4.933 -3.369 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.397 4.632 -1.934 1.00 0.80 H new ATOM 955 N CYS A 80 -3.245 3.307 -3.002 1.00 0.50 N ATOM 956 CA CYS A 80 -4.376 2.957 -2.141 1.00 0.46 C ATOM 957 C CYS A 80 -5.623 2.569 -2.936 1.00 0.43 C ATOM 958 O CYS A 80 -5.788 2.959 -4.094 1.00 0.60 O ATOM 959 CB CYS A 80 -4.697 4.128 -1.210 1.00 0.63 C ATOM 960 SG CYS A 80 -3.234 4.933 -0.511 1.00 0.90 S ATOM 0 H CYS A 80 -3.483 3.860 -3.826 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.082 2.083 -1.559 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.278 4.868 -1.760 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.326 3.770 -0.395 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.761 5.791 -1.366 1.00 0.90 H new ATOM 966 N GLU A 81 -6.492 1.786 -2.297 1.00 0.34 N ATOM 967 CA GLU A 81 -7.736 1.339 -2.909 1.00 0.39 C ATOM 968 C GLU A 81 -8.768 1.005 -1.830 1.00 0.36 C ATOM 969 O GLU A 81 -8.434 0.417 -0.800 1.00 0.45 O ATOM 970 CB GLU A 81 -7.494 0.112 -3.793 1.00 0.49 C ATOM 971 CG GLU A 81 -8.698 -0.271 -4.643 1.00 0.74 C ATOM 972 CD GLU A 81 -8.508 -1.578 -5.378 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.665 -1.632 -6.300 1.00 1.32 O ATOM 974 OE2 GLU A 81 -9.208 -2.557 -5.046 1.00 1.15 O ATOM 0 H GLU A 81 -6.352 1.447 -1.345 1.00 0.34 H new ATOM 0 HA GLU A 81 -8.119 2.148 -3.531 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.645 0.307 -4.447 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.222 -0.733 -3.161 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.579 -0.344 -4.005 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.893 0.521 -5.366 1.00 0.74 H new ATOM 981 N PHE A 82 -10.014 1.392 -2.071 1.00 0.34 N ATOM 982 CA PHE A 82 -11.101 1.133 -1.136 1.00 0.32 C ATOM 983 C PHE A 82 -12.264 0.473 -1.870 1.00 0.33 C ATOM 984 O PHE A 82 -12.846 1.066 -2.779 1.00 0.42 O ATOM 985 CB PHE A 82 -11.552 2.451 -0.493 1.00 0.35 C ATOM 986 CG PHE A 82 -12.527 2.285 0.640 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.241 1.444 1.701 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.725 2.979 0.644 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.133 1.298 2.745 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.622 2.835 1.683 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.326 1.993 2.735 1.00 0.43 C ATOM 0 H PHE A 82 -10.298 1.891 -2.914 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.755 0.460 -0.352 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.674 2.982 -0.126 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.007 3.079 -1.259 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.310 0.896 1.713 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.961 3.641 -0.176 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.898 0.641 3.569 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.554 3.381 1.673 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.026 1.878 3.549 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.598 -0.749 -1.492 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.688 -1.466 -2.142 1.00 0.38 C ATOM 1003 C LYS A 83 -14.573 -2.166 -1.123 1.00 0.37 C ATOM 1004 O LYS A 83 -14.325 -2.103 0.080 1.00 0.38 O ATOM 1005 CB LYS A 83 -13.144 -2.481 -3.151 1.00 0.46 C ATOM 1006 CG LYS A 83 -12.053 -3.380 -2.592 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.917 -4.657 -3.405 1.00 0.69 C ATOM 1008 CE LYS A 83 -10.537 -5.276 -3.241 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.691 -5.066 -4.446 1.00 1.44 N ATOM 0 H LYS A 83 -12.135 -1.265 -0.744 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.294 -0.732 -2.673 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.966 -3.102 -3.506 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.752 -1.945 -4.016 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.103 -2.845 -2.591 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.280 -3.629 -1.555 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -12.678 -5.372 -3.092 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -12.097 -4.441 -4.458 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.045 -4.841 -2.371 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.638 -6.344 -3.050 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.696 -5.251 -4.208 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.993 -5.715 -5.200 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.791 -4.084 -4.774 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.605 -2.834 -1.620 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.546 -3.547 -0.772 1.00 0.43 C ATOM 1025 C ARG A 84 -16.335 -5.053 -0.895 1.00 0.44 C ATOM 1026 O ARG A 84 -15.792 -5.529 -1.890 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.980 -3.184 -1.171 1.00 0.47 C ATOM 1028 CG ARG A 84 -19.040 -3.680 -0.199 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.440 -3.429 -0.729 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.763 -4.306 -1.849 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.985 -4.771 -2.114 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -23.015 -4.445 -1.336 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -22.177 -5.575 -3.154 1.00 0.96 N ATOM 0 H ARG A 84 -15.812 -2.896 -2.617 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.377 -3.256 0.265 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -18.059 -2.100 -1.256 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.186 -3.597 -2.159 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.902 -4.747 -0.022 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.918 -3.179 0.761 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.164 -3.581 0.072 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.528 -2.389 -1.045 1.00 0.61 H new ATOM 0 HE ARG A 84 -20.004 -4.582 -2.471 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.873 -3.836 -0.531 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.946 -4.805 -1.545 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -21.391 -5.836 -3.749 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -23.111 -5.931 -3.358 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.735 -5.786 0.134 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.626 -7.239 0.135 1.00 0.49 C ATOM 1049 C VAL A 85 -17.994 -7.851 -0.156 1.00 0.55 C ATOM 1050 O VAL A 85 -18.848 -7.925 0.731 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.098 -7.777 1.485 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.872 -9.279 1.421 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.819 -7.058 1.889 1.00 0.50 C ATOM 0 H VAL A 85 -17.141 -5.396 0.985 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.912 -7.521 -0.639 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.855 -7.581 2.244 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.501 -9.632 2.383 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.812 -9.779 1.189 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -15.141 -9.504 0.645 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.465 -7.452 2.842 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.057 -7.215 1.126 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.018 -5.991 1.989 1.00 0.50 H new ATOM 1063 N PRO A 86 -18.226 -8.289 -1.406 1.00 0.61 N ATOM 1064 CA PRO A 86 -19.508 -8.872 -1.816 1.00 0.69 C ATOM 1065 C PRO A 86 -19.736 -10.268 -1.248 1.00 0.68 C ATOM 1066 O PRO A 86 -20.849 -10.792 -1.293 1.00 0.77 O ATOM 1067 CB PRO A 86 -19.393 -8.931 -3.339 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.936 -9.024 -3.616 1.00 0.80 C ATOM 1069 CD PRO A 86 -17.254 -8.249 -2.522 1.00 0.64 C ATOM 0 HA PRO A 86 -20.351 -8.285 -1.453 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.926 -9.792 -3.741 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.826 -8.044 -3.801 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -17.606 -10.063 -3.622 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -17.698 -8.608 -4.595 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -16.304 -8.703 -2.242 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -17.040 -7.226 -2.830 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.680 -10.867 -0.713 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.775 -12.203 -0.141 1.00 0.70 C ATOM 1079 C GLN A 87 -19.530 -12.173 1.184 1.00 0.70 C ATOM 1080 O GLN A 87 -20.108 -13.176 1.600 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.383 -12.805 0.055 1.00 0.78 C ATOM 1082 CG GLN A 87 -17.135 -14.050 -0.783 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.381 -13.820 -2.261 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -16.493 -13.373 -2.989 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.584 -14.135 -2.716 1.00 1.21 N ATOM 0 H GLN A 87 -17.750 -10.450 -0.663 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.330 -12.830 -0.839 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.633 -12.054 -0.194 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.248 -13.053 1.108 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.107 -14.382 -0.637 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -17.782 -14.854 -0.432 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -19.290 -14.502 -2.078 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -18.804 -14.010 -3.704 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.533 -11.020 1.838 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.234 -10.875 3.102 1.00 0.71 C ATOM 1096 C CYS A 88 -21.729 -10.733 2.844 1.00 0.71 C ATOM 1097 O CYS A 88 -22.140 -9.883 2.056 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.706 -9.667 3.875 1.00 0.73 C ATOM 1099 SG CYS A 88 -19.189 -10.058 5.563 1.00 1.44 S ATOM 0 H CYS A 88 -19.060 -10.176 1.515 1.00 0.73 H new ATOM 0 HA CYS A 88 -20.060 -11.764 3.708 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.861 -9.241 3.334 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.481 -8.901 3.909 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.998 -9.582 5.773 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.553 -11.578 3.497 1.00 0.75 N ATOM 1106 CA PRO A 89 -24.016 -11.567 3.336 1.00 0.79 C ATOM 1107 C PRO A 89 -24.640 -10.188 3.538 1.00 0.74 C ATOM 1108 O PRO A 89 -25.629 -9.844 2.886 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.500 -12.535 4.419 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.354 -13.444 4.672 1.00 0.92 C ATOM 1111 CD PRO A 89 -22.113 -12.629 4.439 1.00 0.81 C ATOM 0 HA PRO A 89 -24.303 -11.848 2.323 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.786 -12.001 5.325 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.377 -13.091 4.087 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -23.381 -13.830 5.691 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.385 -14.305 4.004 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.735 -12.201 5.368 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.310 -13.234 4.017 1.00 0.81 H new ATOM 1119 N SER A 90 -24.073 -9.408 4.450 1.00 0.71 N ATOM 1120 CA SER A 90 -24.569 -8.067 4.725 1.00 0.71 C ATOM 1121 C SER A 90 -24.359 -7.162 3.516 1.00 0.65 C ATOM 1122 O SER A 90 -25.249 -6.408 3.126 1.00 0.72 O ATOM 1123 CB SER A 90 -23.863 -7.482 5.949 1.00 0.75 C ATOM 1124 OG SER A 90 -22.459 -7.678 5.871 1.00 0.85 O ATOM 0 H SER A 90 -23.268 -9.683 5.012 1.00 0.71 H new ATOM 0 HA SER A 90 -25.637 -8.130 4.931 1.00 0.71 H new ATOM 0 HB2 SER A 90 -24.081 -6.417 6.024 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.249 -7.951 6.854 1.00 0.75 H new ATOM 0 HG SER A 90 -22.030 -7.294 6.664 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.176 -7.253 2.919 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.861 -6.439 1.763 1.00 0.60 C ATOM 1132 C GLY A 91 -22.529 -5.008 2.140 1.00 0.57 C ATOM 1133 O GLY A 91 -22.570 -4.113 1.303 1.00 0.64 O ATOM 0 H GLY A 91 -22.428 -7.879 3.217 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.016 -6.878 1.232 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.707 -6.444 1.076 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.212 -4.787 3.407 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.872 -3.447 3.874 1.00 0.51 C ATOM 1139 C ARG A 92 -20.468 -3.415 4.455 1.00 0.48 C ATOM 1140 O ARG A 92 -20.051 -2.425 5.062 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.879 -2.972 4.916 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.300 -2.907 4.389 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.155 -1.992 5.242 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.873 -0.582 4.982 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.229 0.403 5.800 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.876 0.133 6.924 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -24.958 1.663 5.481 1.00 0.60 N ATOM 0 H ARG A 92 -22.182 -5.510 4.126 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.907 -2.774 3.017 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.847 -3.643 5.774 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.585 -1.985 5.272 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.294 -2.549 3.359 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.733 -3.907 4.376 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.208 -2.193 5.047 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.979 -2.209 6.296 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.375 -0.340 4.125 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.102 -0.833 7.163 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.148 0.891 7.550 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.476 1.876 4.607 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.232 2.418 6.109 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.746 -4.509 4.268 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.383 -4.613 4.753 1.00 0.45 C ATOM 1163 C VAL A 93 -17.425 -4.138 3.672 1.00 0.41 C ATOM 1164 O VAL A 93 -17.355 -4.723 2.592 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.036 -6.058 5.164 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.568 -6.172 5.548 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.919 -6.505 6.319 1.00 0.56 C ATOM 0 H VAL A 93 -20.085 -5.339 3.782 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.287 -3.984 5.638 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.218 -6.710 4.310 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.346 -7.200 5.834 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.947 -5.890 4.698 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.359 -5.508 6.387 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.663 -7.527 6.598 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.763 -5.845 7.173 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.965 -6.463 6.015 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.723 -3.058 3.955 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.773 -2.492 3.014 1.00 0.37 C ATOM 1179 C TYR A 94 -14.353 -2.735 3.503 1.00 0.35 C ATOM 1180 O TYR A 94 -14.134 -2.995 4.687 1.00 0.37 O ATOM 1181 CB TYR A 94 -16.039 -0.995 2.825 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.278 -0.691 2.003 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.554 -0.926 2.505 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.166 -0.167 0.722 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.680 -0.649 1.752 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.288 0.114 -0.036 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.541 -0.130 0.482 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.659 0.145 -0.273 1.00 0.53 O ATOM 0 H TYR A 94 -16.793 -2.550 4.837 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.894 -2.981 2.047 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.141 -0.527 3.804 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.174 -0.540 2.343 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.667 -1.332 3.500 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.186 0.024 0.311 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.663 -0.838 2.156 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.182 0.523 -1.030 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.541 -0.216 -1.176 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.390 -2.659 2.598 1.00 0.34 N ATOM 1199 CA VAL A 95 -12.005 -2.890 2.959 1.00 0.33 C ATOM 1200 C VAL A 95 -11.063 -1.902 2.274 1.00 0.31 C ATOM 1201 O VAL A 95 -11.140 -1.670 1.062 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.571 -4.342 2.624 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.811 -4.664 1.157 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.112 -4.576 2.993 1.00 0.38 C ATOM 0 H VAL A 95 -13.543 -2.440 1.614 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.936 -2.738 4.036 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.186 -5.015 3.222 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.497 -5.688 0.953 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.872 -4.558 0.930 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.236 -3.978 0.535 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.835 -5.601 2.748 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.480 -3.885 2.434 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.976 -4.409 4.061 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.191 -1.310 3.076 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.199 -0.371 2.591 1.00 0.30 C ATOM 1216 C LEU A 96 -7.849 -1.063 2.575 1.00 0.30 C ATOM 1217 O LEU A 96 -7.337 -1.468 3.622 1.00 0.38 O ATOM 1218 CB LEU A 96 -9.144 0.872 3.486 1.00 0.34 C ATOM 1219 CG LEU A 96 -8.105 1.919 3.083 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.575 2.691 1.858 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.824 2.863 4.245 1.00 0.44 C ATOM 0 H LEU A 96 -10.154 -1.470 4.083 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.466 -0.047 1.585 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -10.128 1.342 3.489 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.939 0.555 4.509 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.177 1.408 2.827 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.824 3.432 1.585 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.723 2.001 1.028 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.515 3.194 2.084 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -7.082 3.602 3.942 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.745 3.370 4.533 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.443 2.293 5.093 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.278 -1.217 1.397 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.994 -1.884 1.273 1.00 0.33 C ATOM 1235 C LYS A 97 -5.004 -1.027 0.503 1.00 0.26 C ATOM 1236 O LYS A 97 -5.359 -0.368 -0.476 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.160 -3.237 0.575 1.00 0.45 C ATOM 1238 CG LYS A 97 -4.897 -4.086 0.592 1.00 0.51 C ATOM 1239 CD LYS A 97 -4.987 -5.265 -0.363 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.678 -6.036 -0.408 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.568 -5.212 -0.955 1.00 0.89 N ATOM 0 H LYS A 97 -7.678 -0.892 0.517 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.604 -2.044 2.278 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -6.967 -3.789 1.057 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.462 -3.069 -0.459 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.041 -3.467 0.323 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.720 -4.452 1.603 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -5.793 -5.929 -0.050 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.237 -4.909 -1.362 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.420 -6.372 0.596 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -3.803 -6.929 -1.021 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.198 -5.658 -1.819 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -2.921 -4.260 -1.180 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -1.808 -5.141 -0.249 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.765 -1.039 0.959 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.705 -0.289 0.313 1.00 0.30 C ATOM 1257 C PHE A 98 -2.083 -1.130 -0.793 1.00 0.33 C ATOM 1258 O PHE A 98 -2.195 -2.360 -0.793 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.634 0.121 1.331 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.050 1.253 2.228 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -2.777 1.012 3.381 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.707 2.560 1.919 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.150 2.050 4.210 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.079 3.603 2.745 1.00 0.72 C ATOM 1265 CZ PHE A 98 -2.802 3.347 3.893 1.00 0.77 C ATOM 0 H PHE A 98 -3.467 -1.565 1.781 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.130 0.617 -0.119 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.381 -0.743 1.946 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.729 0.408 0.796 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.055 -0.000 3.635 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.142 2.765 1.022 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -3.715 1.847 5.108 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.805 4.617 2.493 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.094 4.160 4.541 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.440 -0.469 -1.737 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.794 -1.157 -2.840 1.00 0.48 C ATOM 1277 C LYS A 99 0.712 -1.181 -2.622 1.00 0.54 C ATOM 1278 O LYS A 99 1.491 -1.389 -3.558 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.138 -0.485 -4.175 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.622 -0.520 -4.519 1.00 0.70 C ATOM 1281 CD LYS A 99 -3.134 -1.946 -4.657 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.636 -1.986 -4.890 1.00 0.91 C ATOM 1283 NZ LYS A 99 -5.001 -1.677 -6.297 1.00 1.11 N ATOM 0 H LYS A 99 -1.351 0.547 -1.762 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.161 -2.183 -2.877 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.807 0.553 -4.144 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.579 -0.975 -4.972 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -3.188 -0.004 -3.743 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.792 0.020 -5.451 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.624 -2.437 -5.486 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.891 -2.508 -3.756 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -5.015 -2.974 -4.628 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -5.123 -1.271 -4.226 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.983 -1.336 -6.334 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.365 -0.942 -6.667 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.911 -2.536 -6.876 1.00 1.11 H new ATOM 1297 N ALA A 100 1.108 -0.938 -1.379 1.00 0.55 N ATOM 1298 CA ALA A 100 2.507 -0.941 -0.990 1.00 0.63 C ATOM 1299 C ALA A 100 2.635 -1.404 0.452 1.00 0.62 C ATOM 1300 O ALA A 100 2.057 -0.806 1.358 1.00 1.36 O ATOM 1301 CB ALA A 100 3.125 0.437 -1.159 1.00 0.89 C ATOM 0 H ALA A 100 0.465 -0.733 -0.614 1.00 0.55 H new ATOM 0 HA ALA A 100 3.046 -1.630 -1.640 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.173 0.405 -0.860 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.054 0.742 -2.203 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.592 1.154 -0.535 1.00 0.89 H new ATOM 1307 N GLY A 101 3.363 -2.487 0.657 1.00 0.78 N ATOM 1308 CA GLY A 101 3.547 -3.009 1.989 1.00 0.83 C ATOM 1309 C GLY A 101 2.580 -4.131 2.295 1.00 0.73 C ATOM 1310 O GLY A 101 2.325 -4.988 1.447 1.00 1.06 O ATOM 0 H GLY A 101 3.831 -3.015 -0.079 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.569 -3.371 2.099 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.413 -2.207 2.715 1.00 0.83 H new ATOM 1314 N SER A 102 2.035 -4.129 3.499 1.00 0.51 N ATOM 1315 CA SER A 102 1.094 -5.158 3.915 1.00 0.48 C ATOM 1316 C SER A 102 0.116 -4.612 4.952 1.00 0.52 C ATOM 1317 O SER A 102 0.299 -4.799 6.157 1.00 1.13 O ATOM 1318 CB SER A 102 1.848 -6.368 4.480 1.00 0.60 C ATOM 1319 OG SER A 102 2.793 -6.856 3.542 1.00 1.00 O ATOM 0 H SER A 102 2.228 -3.423 4.210 1.00 0.51 H new ATOM 0 HA SER A 102 0.524 -5.474 3.042 1.00 0.48 H new ATOM 0 HB2 SER A 102 2.356 -6.087 5.402 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.140 -7.157 4.734 1.00 0.60 H new ATOM 0 HG SER A 102 3.264 -7.626 3.923 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.920 -3.927 4.484 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.921 -3.361 5.377 1.00 0.42 C ATOM 1327 C LYS A 103 -3.317 -3.550 4.797 1.00 0.39 C ATOM 1328 O LYS A 103 -3.576 -3.209 3.639 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.641 -1.879 5.639 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.107 -1.414 7.010 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.499 -0.071 7.377 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.829 0.321 8.810 1.00 0.93 C ATOM 1333 NZ LYS A 103 -1.307 -0.660 9.799 1.00 1.17 N ATOM 0 H LYS A 103 -1.088 -3.751 3.494 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.868 -3.888 6.330 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.571 -1.696 5.545 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.135 -1.282 4.873 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.194 -1.337 7.020 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.833 -2.156 7.760 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.417 -0.114 7.251 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.869 0.695 6.695 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.409 1.304 9.021 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.910 0.405 8.921 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -1.295 -0.227 10.744 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -1.920 -1.500 9.811 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.341 -0.940 9.534 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.204 -4.109 5.603 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.572 -4.373 5.185 1.00 0.38 C ATOM 1349 C ARG A 104 -6.538 -4.061 6.325 1.00 0.37 C ATOM 1350 O ARG A 104 -6.585 -4.782 7.322 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.694 -5.841 4.775 1.00 0.47 C ATOM 1352 CG ARG A 104 -6.942 -6.178 3.979 1.00 0.63 C ATOM 1353 CD ARG A 104 -6.846 -7.584 3.413 1.00 0.86 C ATOM 1354 NE ARG A 104 -8.062 -7.998 2.716 1.00 1.11 N ATOM 1355 CZ ARG A 104 -8.107 -9.025 1.865 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -7.005 -9.718 1.606 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -9.251 -9.372 1.289 1.00 1.70 N ATOM 0 H ARG A 104 -3.998 -4.392 6.561 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.824 -3.737 4.337 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -4.819 -6.113 4.184 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -5.676 -6.457 5.674 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -7.821 -6.096 4.618 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -7.068 -5.461 3.168 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -6.002 -7.637 2.725 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.641 -8.284 4.223 1.00 0.86 H new ATOM 0 HE ARG A 104 -8.921 -7.475 2.889 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -6.126 -9.465 2.057 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -7.037 -10.503 0.956 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -10.104 -8.853 1.496 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -9.277 -10.158 0.640 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.296 -2.985 6.181 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.248 -2.582 7.207 1.00 0.34 C ATOM 1373 C LEU A 105 -9.677 -2.732 6.704 1.00 0.33 C ATOM 1374 O LEU A 105 -10.003 -2.302 5.600 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.993 -1.133 7.634 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.646 -0.879 8.319 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.432 0.611 8.545 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.570 -1.629 9.641 1.00 0.82 C ATOM 0 H LEU A 105 -7.271 -2.375 5.364 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.113 -3.234 8.070 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.060 -0.495 6.753 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.790 -0.826 8.311 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.856 -1.247 7.665 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.470 0.771 9.032 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.444 1.130 7.586 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.229 1.001 9.178 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.607 -1.437 10.113 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.371 -1.290 10.298 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.678 -2.698 9.459 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.521 -3.348 7.519 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.918 -3.552 7.161 1.00 0.34 C ATOM 1392 C PHE A 106 -12.807 -2.579 7.925 1.00 0.35 C ATOM 1393 O PHE A 106 -12.557 -2.287 9.098 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.351 -4.991 7.462 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.752 -6.025 6.547 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.464 -6.493 6.753 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.482 -6.535 5.485 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.916 -7.446 5.916 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.938 -7.488 4.644 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.655 -7.944 4.861 1.00 0.52 C ATOM 0 H PHE A 106 -10.263 -3.716 8.434 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.023 -3.370 6.091 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -12.079 -5.232 8.490 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.437 -5.052 7.397 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.882 -6.108 7.577 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.488 -6.184 5.312 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.910 -7.801 6.087 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.517 -7.875 3.818 1.00 0.50 H new ATOM 0 HZ PHE A 106 -10.228 -8.690 4.207 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.838 -2.075 7.258 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.765 -1.131 7.864 1.00 0.37 C ATOM 1412 C PHE A 107 -16.200 -1.482 7.491 1.00 0.39 C ATOM 1413 O PHE A 107 -16.501 -1.728 6.324 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.463 0.299 7.401 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.121 0.822 7.836 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.920 1.247 9.139 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.062 0.888 6.943 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.691 1.733 9.544 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.830 1.372 7.342 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.644 1.793 8.643 1.00 0.46 C ATOM 0 H PHE A 107 -14.053 -2.308 6.289 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.644 -1.191 8.946 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.518 0.335 6.313 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.239 0.963 7.782 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.734 1.198 9.847 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.201 0.558 5.924 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.549 2.065 10.562 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.014 1.421 6.636 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.682 2.169 8.957 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.078 -1.519 8.480 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.477 -1.818 8.225 1.00 0.43 C ATOM 1432 C TRP A 108 -19.304 -0.547 8.378 1.00 0.45 C ATOM 1433 O TRP A 108 -19.199 0.163 9.382 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.993 -2.951 9.132 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.807 -2.730 10.606 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.654 -2.874 11.325 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.823 -2.358 11.548 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -17.887 -2.598 12.652 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.214 -2.280 12.811 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.190 -2.076 11.439 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -19.919 -1.933 13.960 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -21.891 -1.732 12.582 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.253 -1.664 13.825 1.00 0.74 C ATOM 0 H TRP A 108 -16.849 -1.347 9.459 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.578 -2.178 7.201 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.055 -3.097 8.935 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.487 -3.876 8.854 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.699 -3.163 10.911 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.189 -2.625 13.396 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.688 -2.126 10.482 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.431 -1.878 14.922 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -22.946 -1.513 12.513 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -21.827 -1.393 14.698 1.00 0.74 H new ATOM 1454 N MET A 109 -20.100 -0.249 7.360 1.00 0.46 N ATOM 1455 CA MET A 109 -20.925 0.954 7.350 1.00 0.48 C ATOM 1456 C MET A 109 -21.948 0.949 8.480 1.00 0.50 C ATOM 1457 O MET A 109 -22.712 -0.004 8.642 1.00 0.51 O ATOM 1458 CB MET A 109 -21.631 1.102 6.001 1.00 0.50 C ATOM 1459 CG MET A 109 -20.681 1.235 4.821 1.00 0.50 C ATOM 1460 SD MET A 109 -19.340 2.401 5.130 1.00 0.58 S ATOM 1461 CE MET A 109 -18.637 2.551 3.492 1.00 0.60 C ATOM 0 H MET A 109 -20.193 -0.827 6.525 1.00 0.46 H new ATOM 0 HA MET A 109 -20.264 1.806 7.506 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.274 0.237 5.842 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.278 1.978 6.035 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.259 0.257 4.588 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.242 1.558 3.944 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.237 3.556 3.359 1.00 0.60 H new ATOM 0 HE2 MET A 109 -17.836 1.822 3.372 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.410 2.366 2.746 1.00 0.60 H new ATOM 1471 N GLN A 110 -21.960 2.025 9.258 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.885 2.148 10.379 1.00 0.53 C ATOM 1473 C GLN A 110 -24.062 3.051 10.027 1.00 0.56 C ATOM 1474 O GLN A 110 -24.955 3.259 10.845 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.161 2.688 11.616 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.167 1.707 12.216 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.438 2.269 13.423 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.221 3.475 13.529 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.065 1.398 14.348 1.00 0.53 N ATOM 0 H GLN A 110 -21.340 2.825 9.133 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.272 1.153 10.601 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.637 3.605 11.348 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.900 2.952 12.373 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.692 0.797 12.506 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.438 1.426 11.456 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.263 0.405 14.223 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.579 1.720 15.185 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.061 3.588 8.810 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.146 4.457 8.362 1.00 0.60 C ATOM 1490 C GLU A 111 -26.453 3.671 8.307 1.00 0.63 C ATOM 1491 O GLU A 111 -26.450 2.493 7.954 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.832 5.042 6.981 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.694 6.047 6.984 1.00 0.62 C ATOM 1494 CD GLU A 111 -24.009 7.296 7.773 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -25.099 7.878 7.572 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.165 7.707 8.597 1.00 0.67 O ATOM 0 H GLU A 111 -23.325 3.438 8.119 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.249 5.277 9.072 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.583 4.228 6.300 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.728 5.523 6.589 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.803 5.577 7.400 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.458 6.323 5.956 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.583 4.298 8.666 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.891 3.639 8.650 1.00 0.71 C ATOM 1505 C PRO A 112 -29.254 3.079 7.273 1.00 0.71 C ATOM 1506 O PRO A 112 -29.615 1.908 7.148 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.873 4.749 9.056 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.119 6.028 8.937 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.673 5.687 9.144 1.00 0.71 C ATOM 0 HA PRO A 112 -28.909 2.777 9.318 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.749 4.751 8.408 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.231 4.600 10.075 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.275 6.481 7.958 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.458 6.750 9.680 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.018 6.350 8.579 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.385 5.772 10.192 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.133 3.902 6.238 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.470 3.476 4.886 1.00 0.75 C ATOM 1519 C LYS A 113 -28.225 3.096 4.093 1.00 0.69 C ATOM 1520 O LYS A 113 -27.113 3.507 4.424 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.223 4.584 4.148 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.711 4.625 4.452 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.398 5.739 3.678 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.904 5.713 3.871 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.551 6.938 3.332 1.00 1.51 N ATOM 0 H LYS A 113 -28.805 4.865 6.309 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.107 2.596 4.972 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.782 5.546 4.410 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.085 4.451 3.075 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.164 3.667 4.196 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.863 4.774 5.521 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -32.006 6.703 4.003 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.166 5.642 2.618 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.319 4.835 3.376 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.133 5.618 4.932 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.579 6.883 3.483 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.174 7.774 3.822 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.354 7.015 2.314 1.00 1.51 H new ATOM 1539 N THR A 114 -28.426 2.307 3.047 1.00 0.69 N ATOM 1540 CA THR A 114 -27.337 1.871 2.184 1.00 0.66 C ATOM 1541 C THR A 114 -27.318 2.702 0.902 1.00 0.67 C ATOM 1542 O THR A 114 -26.522 2.458 -0.006 1.00 0.69 O ATOM 1543 CB THR A 114 -27.484 0.381 1.812 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.704 0.174 1.089 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.487 -0.496 3.051 1.00 0.86 C ATOM 0 H THR A 114 -29.343 1.953 2.774 1.00 0.69 H new ATOM 0 HA THR A 114 -26.405 2.009 2.731 1.00 0.66 H new ATOM 0 HB THR A 114 -26.632 0.107 1.190 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.789 -0.774 0.855 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.592 -1.540 2.757 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.550 -0.364 3.593 1.00 0.86 H new ATOM 0 HG23 THR A 114 -28.321 -0.214 3.694 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.197 3.698 0.852 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.331 4.575 -0.310 1.00 0.72 C ATOM 1555 C ASP A 115 -27.029 5.303 -0.637 1.00 0.68 C ATOM 1556 O ASP A 115 -26.683 5.468 -1.806 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.441 5.600 -0.070 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.779 5.161 -0.636 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.034 5.406 -1.835 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.587 4.577 0.115 1.00 1.14 O ATOM 0 H ASP A 115 -28.837 3.921 1.614 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.584 3.943 -1.162 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.544 5.773 1.001 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.155 6.551 -0.521 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.296 5.722 0.387 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.049 6.449 0.173 1.00 0.64 C ATOM 1567 C GLN A 116 -23.840 5.577 0.488 1.00 0.60 C ATOM 1568 O GLN A 116 -22.735 6.085 0.664 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.018 7.718 1.031 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.075 8.740 0.649 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.846 9.335 -0.724 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.323 8.806 -1.730 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.115 10.439 -0.780 1.00 0.92 N ATOM 0 H GLN A 116 -26.540 5.573 1.366 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.002 6.728 -0.880 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.153 7.442 2.077 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.033 8.178 0.948 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.057 8.268 0.676 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.085 9.540 1.390 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.738 10.845 0.076 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.929 10.882 -1.680 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.051 4.267 0.547 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.968 3.329 0.845 1.00 0.58 C ATOM 1584 C ASP A 117 -21.869 3.425 -0.203 1.00 0.55 C ATOM 1585 O ASP A 117 -20.718 3.740 0.112 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.494 1.894 0.918 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.634 1.395 2.341 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.456 2.202 3.282 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.932 0.196 2.532 1.00 0.64 O ATOM 0 H ASP A 117 -24.959 3.828 0.393 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.552 3.598 1.816 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.463 1.841 0.422 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.819 1.236 0.371 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.232 3.176 -1.457 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.275 3.243 -2.552 1.00 0.56 C ATOM 1596 C GLU A 118 -20.828 4.679 -2.779 1.00 0.55 C ATOM 1597 O GLU A 118 -19.686 4.925 -3.145 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.865 2.661 -3.835 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.821 1.141 -3.887 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.416 0.594 -3.723 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.517 1.006 -4.487 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.201 -0.253 -2.833 1.00 0.70 O ATOM 0 H GLU A 118 -23.180 2.927 -1.738 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.407 2.644 -2.277 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.900 2.990 -3.932 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.321 3.062 -4.690 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.459 0.735 -3.102 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.231 0.801 -4.838 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.730 5.628 -2.539 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.410 7.040 -2.708 1.00 0.59 C ATOM 1611 C GLU A 119 -20.281 7.433 -1.758 1.00 0.56 C ATOM 1612 O GLU A 119 -19.386 8.201 -2.117 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.645 7.901 -2.445 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.450 9.372 -2.779 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.498 9.657 -4.269 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -23.612 9.737 -4.827 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.425 9.812 -4.889 1.00 1.25 O ATOM 0 H GLU A 119 -22.684 5.444 -2.228 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.085 7.207 -3.735 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.479 7.513 -3.030 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.923 7.810 -1.395 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.221 9.957 -2.278 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.490 9.704 -2.383 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.324 6.891 -0.545 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.296 7.164 0.447 1.00 0.54 C ATOM 1626 C HIS A 120 -17.985 6.537 0.007 1.00 0.51 C ATOM 1627 O HIS A 120 -16.935 7.171 0.062 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.705 6.631 1.826 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.594 7.571 2.583 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.735 7.169 3.247 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.503 8.906 2.775 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.306 8.218 3.809 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.576 9.283 3.535 1.00 0.74 N ATOM 0 H HIS A 120 -21.060 6.261 -0.228 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.171 8.244 0.530 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.218 5.677 1.702 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.808 6.437 2.414 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.726 9.555 2.398 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.215 8.207 4.393 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.779 10.235 3.841 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.064 5.295 -0.461 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.891 4.575 -0.934 1.00 0.48 C ATOM 1644 C CYS A 121 -16.273 5.305 -2.122 1.00 0.48 C ATOM 1645 O CYS A 121 -15.049 5.406 -2.248 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.285 3.152 -1.341 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.896 2.100 -1.813 1.00 0.48 S ATOM 0 H CYS A 121 -18.934 4.766 -0.522 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.156 4.526 -0.130 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.815 2.683 -0.512 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.984 3.206 -2.176 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.899 2.310 -1.006 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.143 5.815 -2.985 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.741 6.554 -4.169 1.00 0.54 C ATOM 1655 C ARG A 122 -15.934 7.786 -3.785 1.00 0.53 C ATOM 1656 O ARG A 122 -14.801 7.956 -4.235 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.982 6.967 -4.961 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.691 7.426 -6.379 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.976 7.653 -7.156 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.776 6.433 -7.255 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.049 6.341 -6.864 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.672 7.386 -6.337 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -21.705 5.199 -7.007 1.00 1.52 N ATOM 0 H ARG A 122 -18.154 5.725 -2.880 1.00 0.51 H new ATOM 0 HA ARG A 122 -16.113 5.912 -4.787 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.673 6.124 -4.998 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.489 7.771 -4.428 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.110 8.348 -6.354 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -17.082 6.679 -6.888 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.562 8.433 -6.669 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.736 8.012 -8.157 1.00 0.89 H new ATOM 0 HE ARG A 122 -19.334 5.601 -7.647 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -21.178 8.272 -6.227 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.645 7.304 -6.042 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -21.237 4.390 -7.416 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.678 5.129 -6.708 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.524 8.634 -2.936 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.867 9.861 -2.479 1.00 0.53 C ATOM 1679 C LYS A 123 -14.498 9.559 -1.875 1.00 0.51 C ATOM 1680 O LYS A 123 -13.523 10.272 -2.129 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.738 10.577 -1.441 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.998 11.199 -2.015 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.784 11.950 -0.949 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.005 12.640 -1.537 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.691 13.503 -0.539 1.00 1.12 N ATOM 0 H LYS A 123 -17.458 8.492 -2.551 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.730 10.508 -3.346 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.018 9.866 -0.664 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.146 11.357 -0.961 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.733 11.882 -2.822 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.624 10.420 -2.449 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.098 11.255 -0.170 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.140 12.690 -0.475 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.703 13.244 -2.392 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.703 11.889 -1.908 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.517 13.955 -0.980 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.002 12.923 0.266 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.034 14.236 -0.204 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.436 8.494 -1.079 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.193 8.078 -0.441 1.00 0.46 C ATOM 1701 C VAL A 124 -12.121 7.800 -1.491 1.00 0.45 C ATOM 1702 O VAL A 124 -11.049 8.398 -1.465 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.402 6.821 0.439 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.073 6.265 0.925 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.298 7.148 1.622 1.00 0.50 C ATOM 0 H VAL A 124 -15.237 7.902 -0.861 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.864 8.895 0.202 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.886 6.059 -0.172 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.251 5.383 1.540 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.458 5.991 0.068 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.556 7.021 1.516 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.436 6.255 2.232 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.835 7.930 2.224 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.266 7.494 1.260 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.439 6.921 -2.437 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.504 6.554 -3.505 1.00 0.48 C ATOM 1717 C ASN A 125 -11.046 7.782 -4.281 1.00 0.49 C ATOM 1718 O ASN A 125 -9.869 7.904 -4.633 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.149 5.564 -4.477 1.00 0.50 C ATOM 1720 CG ASN A 125 -12.098 4.130 -3.986 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -11.125 3.411 -4.224 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -13.150 3.698 -3.312 1.00 0.77 N ATOM 0 H ASN A 125 -13.340 6.446 -2.489 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.640 6.088 -3.031 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.188 5.849 -4.640 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.645 5.630 -5.441 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -13.176 2.738 -2.968 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.935 4.325 -3.136 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.980 8.689 -4.537 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.694 9.906 -5.283 1.00 0.56 C ATOM 1731 C GLU A 126 -10.678 10.793 -4.570 1.00 0.55 C ATOM 1732 O GLU A 126 -9.619 11.085 -5.114 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.979 10.698 -5.518 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.985 9.989 -6.410 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.308 10.721 -6.492 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.503 11.704 -5.744 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -16.162 10.323 -7.314 1.00 1.27 O ATOM 0 H GLU A 126 -12.951 8.602 -4.235 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.265 9.601 -6.237 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.446 10.908 -4.556 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.725 11.659 -5.965 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.568 9.887 -7.412 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.154 8.981 -6.031 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.991 11.195 -3.347 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.115 12.084 -2.584 1.00 0.55 C ATOM 1746 C TYR A 127 -8.794 11.429 -2.185 1.00 0.52 C ATOM 1747 O TYR A 127 -7.812 12.123 -1.930 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.835 12.583 -1.332 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.740 13.766 -1.585 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.214 15.040 -1.764 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.118 13.610 -1.648 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.037 16.124 -1.995 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -13.947 14.691 -1.879 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.402 15.945 -2.052 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.223 17.027 -2.281 1.00 0.84 O ATOM 0 H TYR A 127 -11.844 10.922 -2.858 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.874 12.919 -3.242 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.425 11.768 -0.913 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.093 12.858 -0.582 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.145 15.184 -1.722 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.549 12.629 -1.514 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.613 17.108 -2.130 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.017 14.554 -1.924 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.157 16.732 -2.293 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.762 10.107 -2.138 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.549 9.404 -1.743 1.00 0.49 C ATOM 1767 C LEU A 128 -6.522 9.315 -2.874 1.00 0.53 C ATOM 1768 O LEU A 128 -5.326 9.495 -2.640 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.878 7.995 -1.245 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.640 7.922 0.084 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.519 6.534 0.692 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.142 8.975 1.062 1.00 0.44 C ATOM 0 H LEU A 128 -9.552 9.503 -2.365 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.106 9.988 -0.937 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.467 7.487 -2.009 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.946 7.440 -1.140 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.691 8.123 -0.121 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.066 6.501 1.634 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.936 5.798 0.004 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.469 6.307 0.874 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.701 8.899 1.995 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.082 8.815 1.260 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.286 9.967 0.633 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.979 9.043 -4.088 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.061 8.899 -5.218 1.00 0.59 C ATOM 1786 C ASN A 129 -6.020 10.134 -6.112 1.00 0.65 C ATOM 1787 O ASN A 129 -5.344 10.130 -7.144 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.438 7.677 -6.058 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.827 6.390 -5.535 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.755 6.391 -4.934 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.503 5.282 -5.778 1.00 0.89 N ATOM 0 H ASN A 129 -7.965 8.918 -4.318 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.066 8.770 -4.792 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.523 7.576 -6.077 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.114 7.835 -7.087 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.139 4.383 -5.463 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.390 5.325 -6.280 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.728 11.188 -5.738 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.742 12.404 -6.545 1.00 0.74 C ATOM 1800 C ASN A 130 -6.509 13.629 -5.670 1.00 0.80 C ATOM 1801 O ASN A 130 -7.478 14.376 -5.402 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.064 12.542 -7.314 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.336 11.366 -8.235 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.931 11.357 -9.399 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -9.027 10.361 -7.721 1.00 1.09 N ATOM 0 H ASN A 130 -7.295 11.230 -4.891 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.932 12.333 -7.271 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.884 12.637 -6.603 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.043 13.460 -7.901 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -9.241 9.544 -8.293 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.346 10.404 -6.753 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.424 -8.127 8.680 1.00 1.24 N ATOM 1814 CA ALA B 26 36.290 -7.551 9.436 1.00 1.15 C ATOM 1815 C ALA B 26 35.040 -7.498 8.569 1.00 1.06 C ATOM 1816 O ALA B 26 34.996 -6.776 7.572 1.00 1.08 O ATOM 1817 CB ALA B 26 36.639 -6.160 9.942 1.00 1.27 C ATOM 0 HA ALA B 26 36.090 -8.193 10.294 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.794 -5.752 10.496 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.508 -6.219 10.598 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.866 -5.511 9.096 1.00 1.27 H new ATOM 1825 N PRO B 27 34.008 -8.269 8.935 1.00 1.03 N ATOM 1826 CA PRO B 27 32.749 -8.303 8.190 1.00 0.98 C ATOM 1827 C PRO B 27 31.905 -7.053 8.428 1.00 0.96 C ATOM 1828 O PRO B 27 32.049 -6.377 9.449 1.00 1.05 O ATOM 1829 CB PRO B 27 32.047 -9.539 8.752 1.00 1.03 C ATOM 1830 CG PRO B 27 32.575 -9.690 10.137 1.00 1.15 C ATOM 1831 CD PRO B 27 33.986 -9.167 10.110 1.00 1.12 C ATOM 0 HA PRO B 27 32.907 -8.338 7.112 1.00 0.98 H new ATOM 0 HB2 PRO B 27 30.965 -9.410 8.755 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.262 -10.422 8.150 1.00 1.03 H new ATOM 0 HG2 PRO B 27 31.967 -9.131 10.848 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.553 -10.734 10.450 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.232 -8.632 11.027 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.710 -9.975 10.009 1.00 1.12 H new ATOM 1839 N ALA B 28 31.038 -6.744 7.483 1.00 0.95 N ATOM 1840 CA ALA B 28 30.167 -5.584 7.594 1.00 0.96 C ATOM 1841 C ALA B 28 28.708 -6.010 7.551 1.00 0.90 C ATOM 1842 O ALA B 28 27.813 -5.183 7.367 1.00 0.88 O ATOM 1843 CB ALA B 28 30.464 -4.598 6.479 1.00 1.04 C ATOM 0 H ALA B 28 30.916 -7.282 6.625 1.00 0.95 H new ATOM 0 HA ALA B 28 30.355 -5.096 8.550 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.806 -3.734 6.572 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.502 -4.273 6.548 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.298 -5.078 5.515 1.00 1.04 H new ATOM 1849 N GLU B 29 28.494 -7.318 7.733 1.00 0.93 N ATOM 1850 CA GLU B 29 27.159 -7.920 7.715 1.00 0.90 C ATOM 1851 C GLU B 29 26.500 -7.713 6.352 1.00 0.85 C ATOM 1852 O GLU B 29 25.734 -6.770 6.156 1.00 0.82 O ATOM 1853 CB GLU B 29 26.280 -7.355 8.837 1.00 0.91 C ATOM 1854 CG GLU B 29 26.908 -7.477 10.220 1.00 1.14 C ATOM 1855 CD GLU B 29 25.884 -7.705 11.311 1.00 1.10 C ATOM 1856 OE1 GLU B 29 25.578 -8.879 11.611 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.392 -6.714 11.890 1.00 1.30 O ATOM 0 H GLU B 29 29.244 -7.989 7.897 1.00 0.93 H new ATOM 0 HA GLU B 29 27.268 -8.991 7.888 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.073 -6.305 8.632 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.322 -7.875 8.834 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.621 -8.302 10.219 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.471 -6.570 10.440 1.00 1.14 H new ATOM 1864 N PRO B 30 26.790 -8.610 5.395 1.00 0.88 N ATOM 1865 CA PRO B 30 26.256 -8.525 4.028 1.00 0.88 C ATOM 1866 C PRO B 30 24.778 -8.906 3.922 1.00 0.82 C ATOM 1867 O PRO B 30 24.367 -9.582 2.975 1.00 0.85 O ATOM 1868 CB PRO B 30 27.122 -9.522 3.256 1.00 1.00 C ATOM 1869 CG PRO B 30 27.559 -10.521 4.267 1.00 1.07 C ATOM 1870 CD PRO B 30 27.666 -9.786 5.573 1.00 0.98 C ATOM 0 HA PRO B 30 26.295 -7.504 3.649 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.557 -9.995 2.453 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.977 -9.027 2.796 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.842 -11.339 4.340 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.517 -10.961 3.989 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.338 -10.405 6.408 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.694 -9.490 5.781 1.00 0.98 H new ATOM 1878 N LYS B 31 23.980 -8.462 4.882 1.00 0.78 N ATOM 1879 CA LYS B 31 22.553 -8.745 4.878 1.00 0.74 C ATOM 1880 C LYS B 31 21.837 -7.697 4.043 1.00 0.69 C ATOM 1881 O LYS B 31 21.283 -6.739 4.574 1.00 0.73 O ATOM 1882 CB LYS B 31 21.987 -8.758 6.302 1.00 0.76 C ATOM 1883 CG LYS B 31 22.505 -9.903 7.159 1.00 0.92 C ATOM 1884 CD LYS B 31 21.470 -10.349 8.179 1.00 1.11 C ATOM 1885 CE LYS B 31 20.376 -11.188 7.536 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.204 -11.361 8.434 1.00 1.45 N ATOM 0 H LYS B 31 24.297 -7.904 5.674 1.00 0.78 H new ATOM 0 HA LYS B 31 22.395 -9.733 4.446 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.231 -7.814 6.788 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.900 -8.818 6.250 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.773 -10.744 6.520 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.414 -9.591 7.674 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.958 -10.926 8.965 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.026 -9.474 8.655 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.055 -10.715 6.608 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.778 -12.166 7.272 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 18.483 -11.939 7.956 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 19.504 -11.836 9.309 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 18.804 -10.430 8.666 1.00 1.45 H new ATOM 1900 N ILE B 32 21.882 -7.874 2.735 1.00 0.68 N ATOM 1901 CA ILE B 32 21.254 -6.945 1.813 1.00 0.66 C ATOM 1902 C ILE B 32 19.759 -7.223 1.689 1.00 0.62 C ATOM 1903 O ILE B 32 19.343 -8.361 1.458 1.00 0.67 O ATOM 1904 CB ILE B 32 21.935 -7.006 0.417 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.118 -6.034 0.355 1.00 0.88 C ATOM 1906 CG2 ILE B 32 20.951 -6.703 -0.705 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.359 -6.529 1.067 1.00 1.20 C ATOM 0 H ILE B 32 22.351 -8.660 2.284 1.00 0.68 H new ATOM 0 HA ILE B 32 21.381 -5.940 2.215 1.00 0.66 H new ATOM 0 HB ILE B 32 22.299 -8.024 0.276 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.363 -5.842 -0.690 1.00 0.88 H new ATOM 0 HG13 ILE B 32 22.816 -5.082 0.792 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.466 -6.756 -1.664 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.142 -7.433 -0.687 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.540 -5.703 -0.568 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.151 -5.785 0.978 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.133 -6.693 2.121 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.688 -7.465 0.616 1.00 1.20 H new ATOM 1919 N ILE B 33 18.964 -6.177 1.866 1.00 0.58 N ATOM 1920 CA ILE B 33 17.518 -6.280 1.766 1.00 0.56 C ATOM 1921 C ILE B 33 17.046 -5.725 0.426 1.00 0.54 C ATOM 1922 O ILE B 33 17.745 -4.924 -0.203 1.00 0.60 O ATOM 1923 CB ILE B 33 16.806 -5.524 2.910 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.192 -4.041 2.900 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.141 -6.157 4.253 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.275 -3.165 3.729 1.00 0.67 C ATOM 0 H ILE B 33 19.302 -5.239 2.082 1.00 0.58 H new ATOM 0 HA ILE B 33 17.261 -7.336 1.845 1.00 0.56 H new ATOM 0 HB ILE B 33 15.730 -5.596 2.754 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.211 -3.938 3.272 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.190 -3.682 1.871 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.632 -5.613 5.049 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.814 -7.197 4.257 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.218 -6.115 4.416 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.612 -2.130 3.673 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.258 -3.237 3.344 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.295 -3.497 4.767 1.00 0.67 H new ATOM 1938 N LYS B 34 15.868 -6.146 -0.003 1.00 0.53 N ATOM 1939 CA LYS B 34 15.317 -5.695 -1.271 1.00 0.53 C ATOM 1940 C LYS B 34 14.250 -4.631 -1.055 1.00 0.48 C ATOM 1941 O LYS B 34 13.158 -4.923 -0.568 1.00 0.57 O ATOM 1942 CB LYS B 34 14.726 -6.873 -2.047 1.00 0.58 C ATOM 1943 CG LYS B 34 15.771 -7.767 -2.689 1.00 0.76 C ATOM 1944 CD LYS B 34 15.131 -8.975 -3.354 1.00 0.87 C ATOM 1945 CE LYS B 34 16.156 -9.819 -4.097 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.244 -10.299 -3.206 1.00 1.31 N ATOM 0 H LYS B 34 15.274 -6.799 0.508 1.00 0.53 H new ATOM 0 HA LYS B 34 16.129 -5.258 -1.852 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.114 -7.471 -1.372 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.063 -6.490 -2.822 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.335 -7.198 -3.428 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.482 -8.100 -1.933 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.636 -9.586 -2.599 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.361 -8.642 -4.050 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.657 -10.675 -4.552 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.586 -9.233 -4.909 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.841 -10.977 -3.721 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.823 -9.491 -2.899 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.831 -10.765 -2.373 1.00 1.31 H new ATOM 1960 N VAL B 35 14.570 -3.399 -1.414 1.00 0.44 N ATOM 1961 CA VAL B 35 13.632 -2.298 -1.262 1.00 0.41 C ATOM 1962 C VAL B 35 13.123 -1.847 -2.632 1.00 0.42 C ATOM 1963 O VAL B 35 13.869 -1.285 -3.441 1.00 0.45 O ATOM 1964 CB VAL B 35 14.260 -1.107 -0.489 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.649 -0.781 -1.010 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.363 0.124 -0.542 1.00 0.40 C ATOM 0 H VAL B 35 15.471 -3.136 -1.812 1.00 0.44 H new ATOM 0 HA VAL B 35 12.789 -2.657 -0.671 1.00 0.41 H new ATOM 0 HB VAL B 35 14.354 -1.411 0.554 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.061 0.057 -0.448 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.296 -1.650 -0.891 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.589 -0.515 -2.065 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.832 0.940 0.009 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.217 0.424 -1.580 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.398 -0.110 -0.093 1.00 0.40 H new ATOM 1976 N THR B 36 11.859 -2.132 -2.898 1.00 0.41 N ATOM 1977 CA THR B 36 11.244 -1.773 -4.162 1.00 0.43 C ATOM 1978 C THR B 36 10.677 -0.356 -4.106 1.00 0.39 C ATOM 1979 O THR B 36 9.851 -0.037 -3.250 1.00 0.40 O ATOM 1980 CB THR B 36 10.128 -2.768 -4.518 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.306 -3.992 -3.782 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.132 -3.066 -6.008 1.00 0.57 C ATOM 0 H THR B 36 11.236 -2.614 -2.250 1.00 0.41 H new ATOM 0 HA THR B 36 12.013 -1.811 -4.934 1.00 0.43 H new ATOM 0 HB THR B 36 9.171 -2.320 -4.251 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.976 -4.549 -4.231 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.335 -3.772 -6.240 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.972 -2.142 -6.564 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.092 -3.497 -6.290 1.00 0.57 H new ATOM 1990 N VAL B 37 11.120 0.490 -5.023 1.00 0.41 N ATOM 1991 CA VAL B 37 10.679 1.875 -5.057 1.00 0.40 C ATOM 1992 C VAL B 37 9.663 2.125 -6.174 1.00 0.43 C ATOM 1993 O VAL B 37 9.940 1.880 -7.349 1.00 0.51 O ATOM 1994 CB VAL B 37 11.873 2.834 -5.250 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.447 4.274 -5.006 1.00 0.52 C ATOM 1996 CG2 VAL B 37 13.030 2.457 -4.334 1.00 0.46 C ATOM 0 H VAL B 37 11.786 0.241 -5.755 1.00 0.41 H new ATOM 0 HA VAL B 37 10.202 2.069 -4.096 1.00 0.40 H new ATOM 0 HB VAL B 37 12.215 2.744 -6.281 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.302 4.935 -5.147 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.659 4.545 -5.709 1.00 0.52 H new ATOM 0 HG13 VAL B 37 11.074 4.375 -3.987 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.858 3.148 -4.490 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.704 2.510 -3.295 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.357 1.442 -4.560 1.00 0.46 H new ATOM 2006 N LYS B 38 8.484 2.607 -5.794 1.00 0.41 N ATOM 2007 CA LYS B 38 7.434 2.923 -6.750 1.00 0.46 C ATOM 2008 C LYS B 38 7.543 4.393 -7.145 1.00 0.50 C ATOM 2009 O LYS B 38 7.435 5.283 -6.297 1.00 0.63 O ATOM 2010 CB LYS B 38 6.056 2.637 -6.147 1.00 0.51 C ATOM 2011 CG LYS B 38 5.809 1.162 -5.860 1.00 0.65 C ATOM 2012 CD LYS B 38 4.558 0.949 -5.016 1.00 0.80 C ATOM 2013 CE LYS B 38 3.293 1.331 -5.775 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.064 1.062 -4.980 1.00 1.38 N ATOM 0 H LYS B 38 8.233 2.788 -4.822 1.00 0.41 H new ATOM 0 HA LYS B 38 7.553 2.298 -7.635 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.950 3.201 -5.220 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.288 2.999 -6.830 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.709 0.621 -6.801 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.672 0.743 -5.342 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.498 -0.096 -4.712 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.629 1.543 -4.105 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.332 2.389 -6.036 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.249 0.773 -6.711 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.239 1.040 -5.613 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.156 0.145 -4.499 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.937 1.813 -4.272 1.00 1.38 H new ATOM 2028 N THR B 39 7.747 4.641 -8.427 1.00 0.55 N ATOM 2029 CA THR B 39 7.909 5.998 -8.929 1.00 0.60 C ATOM 2030 C THR B 39 6.931 6.281 -10.069 1.00 0.65 C ATOM 2031 O THR B 39 6.329 5.351 -10.614 1.00 0.67 O ATOM 2032 CB THR B 39 9.357 6.217 -9.426 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.859 5.013 -10.026 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.270 6.635 -8.285 1.00 0.68 C ATOM 0 H THR B 39 7.805 3.918 -9.144 1.00 0.55 H new ATOM 0 HA THR B 39 7.699 6.685 -8.109 1.00 0.60 H new ATOM 0 HB THR B 39 9.341 7.016 -10.167 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.109 4.475 -10.357 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.282 6.782 -8.664 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.906 7.566 -7.850 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.278 5.857 -7.522 1.00 0.68 H new ATOM 2042 N PRO B 40 6.739 7.564 -10.437 1.00 0.71 N ATOM 2043 CA PRO B 40 5.848 7.948 -11.533 1.00 0.78 C ATOM 2044 C PRO B 40 6.486 7.639 -12.883 1.00 0.81 C ATOM 2045 O PRO B 40 6.690 8.528 -13.712 1.00 0.87 O ATOM 2046 CB PRO B 40 5.668 9.465 -11.354 1.00 0.83 C ATOM 2047 CG PRO B 40 6.348 9.819 -10.072 1.00 0.85 C ATOM 2048 CD PRO B 40 7.358 8.742 -9.816 1.00 0.73 C ATOM 0 HA PRO B 40 4.902 7.406 -11.512 1.00 0.78 H new ATOM 0 HB2 PRO B 40 6.106 10.010 -12.190 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.611 9.730 -11.320 1.00 0.83 H new ATOM 0 HG2 PRO B 40 6.830 10.794 -10.145 1.00 0.85 H new ATOM 0 HG3 PRO B 40 5.629 9.879 -9.255 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.323 8.977 -10.266 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.531 8.594 -8.750 1.00 0.73 H new ATOM 2056 N LYS B 41 6.795 6.370 -13.087 1.00 0.82 N ATOM 2057 CA LYS B 41 7.438 5.914 -14.309 1.00 0.87 C ATOM 2058 C LYS B 41 7.462 4.390 -14.340 1.00 0.84 C ATOM 2059 O LYS B 41 6.893 3.768 -15.239 1.00 0.92 O ATOM 2060 CB LYS B 41 8.870 6.469 -14.384 1.00 0.93 C ATOM 2061 CG LYS B 41 9.529 6.317 -15.746 1.00 1.13 C ATOM 2062 CD LYS B 41 10.510 7.449 -16.020 1.00 1.21 C ATOM 2063 CE LYS B 41 11.653 7.468 -15.011 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.432 8.735 -15.078 1.00 1.37 N ATOM 0 H LYS B 41 6.608 5.628 -12.413 1.00 0.82 H new ATOM 0 HA LYS B 41 6.875 6.277 -15.169 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.852 7.526 -14.118 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.483 5.963 -13.638 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.051 5.362 -15.794 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.764 6.301 -16.522 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.916 7.342 -17.026 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.982 8.402 -15.989 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.252 7.341 -14.006 1.00 1.44 H new ATOM 0 HE3 LYS B 41 12.316 6.624 -15.198 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 13.199 8.708 -14.377 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.836 8.844 -16.030 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.805 9.539 -14.874 1.00 1.37 H new ATOM 2078 N GLU B 42 8.114 3.800 -13.340 1.00 0.77 N ATOM 2079 CA GLU B 42 8.220 2.350 -13.230 1.00 0.75 C ATOM 2080 C GLU B 42 8.465 1.949 -11.775 1.00 0.70 C ATOM 2081 O GLU B 42 8.310 2.765 -10.860 1.00 0.73 O ATOM 2082 CB GLU B 42 9.345 1.825 -14.133 1.00 0.83 C ATOM 2083 CG GLU B 42 8.836 0.993 -15.300 1.00 1.03 C ATOM 2084 CD GLU B 42 9.812 0.927 -16.456 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.917 0.370 -16.276 1.00 1.28 O ATOM 2086 OE2 GLU B 42 9.477 1.433 -17.550 1.00 1.41 O ATOM 0 H GLU B 42 8.580 4.310 -12.590 1.00 0.77 H new ATOM 0 HA GLU B 42 7.282 1.904 -13.559 1.00 0.75 H new ATOM 0 HB2 GLU B 42 9.917 2.669 -14.519 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.030 1.222 -13.537 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.626 -0.018 -14.952 1.00 1.03 H new ATOM 0 HG3 GLU B 42 7.893 1.411 -15.652 1.00 1.03 H new ATOM 2093 N LYS B 43 8.835 0.696 -11.562 1.00 0.68 N ATOM 2094 CA LYS B 43 9.088 0.196 -10.220 1.00 0.64 C ATOM 2095 C LYS B 43 10.433 -0.523 -10.151 1.00 0.63 C ATOM 2096 O LYS B 43 10.551 -1.687 -10.543 1.00 0.74 O ATOM 2097 CB LYS B 43 7.960 -0.750 -9.787 1.00 0.67 C ATOM 2098 CG LYS B 43 8.140 -1.312 -8.386 1.00 0.67 C ATOM 2099 CD LYS B 43 7.187 -2.469 -8.111 1.00 0.74 C ATOM 2100 CE LYS B 43 7.563 -3.714 -8.906 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.594 -4.822 -8.704 1.00 0.98 N ATOM 0 H LYS B 43 8.967 0.006 -12.302 1.00 0.68 H new ATOM 0 HA LYS B 43 9.120 1.046 -9.539 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.011 -0.216 -9.836 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.898 -1.576 -10.495 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.168 -1.651 -8.260 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.973 -0.522 -7.654 1.00 0.67 H new ATOM 0 HD2 LYS B 43 7.196 -2.702 -7.046 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.170 -2.170 -8.364 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.612 -3.465 -9.966 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.558 -4.045 -8.610 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.889 -5.648 -9.263 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.565 -5.079 -7.697 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.648 -4.516 -9.011 1.00 0.98 H new ATOM 2115 N GLU B 44 11.441 0.175 -9.648 1.00 0.59 N ATOM 2116 CA GLU B 44 12.779 -0.388 -9.526 1.00 0.60 C ATOM 2117 C GLU B 44 12.995 -0.952 -8.128 1.00 0.56 C ATOM 2118 O GLU B 44 12.256 -0.629 -7.201 1.00 0.60 O ATOM 2119 CB GLU B 44 13.838 0.679 -9.812 1.00 0.64 C ATOM 2120 CG GLU B 44 14.333 0.696 -11.252 1.00 0.81 C ATOM 2121 CD GLU B 44 13.214 0.865 -12.259 1.00 1.02 C ATOM 2122 OE1 GLU B 44 12.776 2.012 -12.479 1.00 1.21 O ATOM 2123 OE2 GLU B 44 12.786 -0.146 -12.853 1.00 1.24 O ATOM 0 H GLU B 44 11.357 1.136 -9.316 1.00 0.59 H new ATOM 0 HA GLU B 44 12.874 -1.192 -10.256 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.426 1.658 -9.570 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.688 0.518 -9.149 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.051 1.507 -11.374 1.00 0.81 H new ATOM 0 HG3 GLU B 44 14.864 -0.233 -11.459 1.00 0.81 H new ATOM 2130 N GLU B 45 14.007 -1.791 -7.980 1.00 0.56 N ATOM 2131 CA GLU B 45 14.312 -2.384 -6.689 1.00 0.53 C ATOM 2132 C GLU B 45 15.773 -2.167 -6.338 1.00 0.55 C ATOM 2133 O GLU B 45 16.668 -2.557 -7.090 1.00 0.64 O ATOM 2134 CB GLU B 45 13.984 -3.877 -6.699 1.00 0.57 C ATOM 2135 CG GLU B 45 14.073 -4.530 -5.329 1.00 0.58 C ATOM 2136 CD GLU B 45 13.255 -5.797 -5.241 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.741 -6.856 -5.689 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.118 -5.741 -4.723 1.00 0.94 O ATOM 0 H GLU B 45 14.630 -2.076 -8.736 1.00 0.56 H new ATOM 0 HA GLU B 45 13.698 -1.898 -5.931 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.978 -4.017 -7.094 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.667 -4.386 -7.380 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.115 -4.757 -5.105 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.730 -3.826 -4.571 1.00 0.58 H new ATOM 2145 N PHE B 46 16.008 -1.540 -5.200 1.00 0.51 N ATOM 2146 CA PHE B 46 17.361 -1.265 -4.743 1.00 0.54 C ATOM 2147 C PHE B 46 17.811 -2.322 -3.746 1.00 0.54 C ATOM 2148 O PHE B 46 16.989 -2.927 -3.054 1.00 0.54 O ATOM 2149 CB PHE B 46 17.443 0.123 -4.103 1.00 0.53 C ATOM 2150 CG PHE B 46 17.714 1.229 -5.085 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.674 1.846 -5.758 1.00 0.72 C ATOM 2152 CD2 PHE B 46 19.011 1.648 -5.331 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.922 2.861 -6.662 1.00 0.85 C ATOM 2154 CE2 PHE B 46 19.266 2.663 -6.233 1.00 0.90 C ATOM 2155 CZ PHE B 46 18.220 3.270 -6.900 1.00 0.87 C ATOM 0 H PHE B 46 15.276 -1.209 -4.571 1.00 0.51 H new ATOM 0 HA PHE B 46 18.023 -1.291 -5.608 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.506 0.330 -3.586 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.229 0.119 -3.348 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.657 1.531 -5.575 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.832 1.176 -4.812 1.00 0.78 H new ATOM 0 HE1 PHE B 46 16.102 3.334 -7.182 1.00 0.85 H new ATOM 0 HE2 PHE B 46 20.282 2.981 -6.416 1.00 0.90 H new ATOM 0 HZ PHE B 46 18.416 4.063 -7.606 1.00 0.87 H new ATOM 2165 N ALA B 47 19.112 -2.541 -3.677 1.00 0.57 N ATOM 2166 CA ALA B 47 19.678 -3.520 -2.770 1.00 0.60 C ATOM 2167 C ALA B 47 20.648 -2.845 -1.814 1.00 0.60 C ATOM 2168 O ALA B 47 21.717 -2.384 -2.221 1.00 0.66 O ATOM 2169 CB ALA B 47 20.372 -4.619 -3.556 1.00 0.69 C ATOM 0 H ALA B 47 19.801 -2.048 -4.245 1.00 0.57 H new ATOM 0 HA ALA B 47 18.876 -3.970 -2.185 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.794 -5.349 -2.866 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.651 -5.111 -4.208 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.170 -4.186 -4.159 1.00 0.69 H new ATOM 2175 N VAL B 48 20.270 -2.777 -0.547 1.00 0.57 N ATOM 2176 CA VAL B 48 21.101 -2.141 0.468 1.00 0.59 C ATOM 2177 C VAL B 48 21.217 -3.017 1.711 1.00 0.58 C ATOM 2178 O VAL B 48 20.309 -3.791 2.015 1.00 0.57 O ATOM 2179 CB VAL B 48 20.542 -0.757 0.875 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.870 0.290 -0.179 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.041 -0.825 1.109 1.00 0.56 C ATOM 0 H VAL B 48 19.391 -3.155 -0.195 1.00 0.57 H new ATOM 0 HA VAL B 48 22.089 -2.007 0.027 1.00 0.59 H new ATOM 0 HB VAL B 48 21.020 -0.464 1.810 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.467 1.255 0.129 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.951 0.367 -0.291 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.427 -0.001 -1.131 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.672 0.160 1.394 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.544 -1.148 0.194 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.829 -1.536 1.907 1.00 0.56 H new ATOM 2191 N PRO B 49 22.346 -2.925 2.439 1.00 0.62 N ATOM 2192 CA PRO B 49 22.560 -3.702 3.665 1.00 0.63 C ATOM 2193 C PRO B 49 21.572 -3.315 4.769 1.00 0.60 C ATOM 2194 O PRO B 49 21.039 -2.201 4.778 1.00 0.61 O ATOM 2195 CB PRO B 49 23.993 -3.347 4.078 1.00 0.69 C ATOM 2196 CG PRO B 49 24.623 -2.736 2.877 1.00 0.79 C ATOM 2197 CD PRO B 49 23.509 -2.075 2.122 1.00 0.67 C ATOM 0 HA PRO B 49 22.409 -4.769 3.502 1.00 0.63 H new ATOM 0 HB2 PRO B 49 23.997 -2.652 4.918 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.539 -4.235 4.397 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.386 -2.012 3.162 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.114 -3.493 2.266 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.357 -1.045 2.446 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.708 -2.046 1.051 1.00 0.67 H new ATOM 2205 N GLU B 50 21.351 -4.233 5.704 1.00 0.61 N ATOM 2206 CA GLU B 50 20.413 -4.027 6.809 1.00 0.61 C ATOM 2207 C GLU B 50 21.000 -3.124 7.902 1.00 0.67 C ATOM 2208 O GLU B 50 20.521 -3.109 9.036 1.00 1.01 O ATOM 2209 CB GLU B 50 20.025 -5.381 7.409 1.00 0.68 C ATOM 2210 CG GLU B 50 18.697 -5.371 8.153 1.00 0.86 C ATOM 2211 CD GLU B 50 18.546 -6.559 9.077 1.00 0.93 C ATOM 2212 OE1 GLU B 50 18.161 -7.649 8.598 1.00 1.08 O ATOM 2213 OE2 GLU B 50 18.809 -6.415 10.289 1.00 1.12 O ATOM 0 H GLU B 50 21.815 -5.141 5.720 1.00 0.61 H new ATOM 0 HA GLU B 50 19.531 -3.527 6.409 1.00 0.61 H new ATOM 0 HB2 GLU B 50 19.976 -6.120 6.610 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.811 -5.702 8.093 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.615 -4.451 8.732 1.00 0.86 H new ATOM 0 HG3 GLU B 50 17.879 -5.368 7.432 1.00 0.86 H new ATOM 2220 N ASN B 51 22.033 -2.373 7.565 1.00 0.67 N ATOM 2221 CA ASN B 51 22.669 -1.481 8.525 1.00 0.69 C ATOM 2222 C ASN B 51 23.089 -0.181 7.855 1.00 0.71 C ATOM 2223 O ASN B 51 24.165 0.353 8.120 1.00 0.96 O ATOM 2224 CB ASN B 51 23.878 -2.159 9.186 1.00 0.76 C ATOM 2225 CG ASN B 51 24.939 -2.622 8.196 1.00 0.86 C ATOM 2226 OD1 ASN B 51 24.633 -3.048 7.084 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.196 -2.543 8.599 1.00 1.20 N ATOM 0 H ASN B 51 22.451 -2.361 6.635 1.00 0.67 H new ATOM 0 HA ASN B 51 21.941 -1.249 9.302 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.332 -1.464 9.892 1.00 0.76 H new ATOM 0 HB3 ASN B 51 23.532 -3.017 9.762 1.00 0.76 H new ATOM 0 HD21 ASN B 51 26.950 -2.841 7.980 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.412 -2.184 9.529 1.00 1.20 H new ATOM 2234 N SER B 52 22.226 0.333 6.997 1.00 0.65 N ATOM 2235 CA SER B 52 22.507 1.571 6.291 1.00 0.67 C ATOM 2236 C SER B 52 21.517 2.659 6.697 1.00 0.63 C ATOM 2237 O SER B 52 20.354 2.374 6.991 1.00 0.68 O ATOM 2238 CB SER B 52 22.444 1.338 4.782 1.00 0.71 C ATOM 2239 OG SER B 52 22.958 0.059 4.444 1.00 0.86 O ATOM 0 H SER B 52 21.324 -0.088 6.772 1.00 0.65 H new ATOM 0 HA SER B 52 23.510 1.902 6.558 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.412 1.421 4.440 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.014 2.111 4.267 1.00 0.71 H new ATOM 0 HG SER B 52 22.265 -0.620 4.585 1.00 0.86 H new ATOM 2245 N SER B 53 21.986 3.898 6.725 1.00 0.65 N ATOM 2246 CA SER B 53 21.146 5.027 7.082 1.00 0.64 C ATOM 2247 C SER B 53 20.351 5.502 5.868 1.00 0.57 C ATOM 2248 O SER B 53 20.790 5.335 4.725 1.00 0.58 O ATOM 2249 CB SER B 53 22.015 6.159 7.630 1.00 0.75 C ATOM 2250 OG SER B 53 23.337 5.705 7.883 1.00 0.89 O ATOM 0 H SER B 53 22.950 4.146 6.503 1.00 0.65 H new ATOM 0 HA SER B 53 20.439 4.718 7.852 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.039 6.983 6.916 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.577 6.547 8.550 1.00 0.75 H new ATOM 0 HG SER B 53 23.876 6.446 8.231 1.00 0.89 H new ATOM 2256 N VAL B 54 19.185 6.095 6.113 1.00 0.54 N ATOM 2257 CA VAL B 54 18.327 6.589 5.037 1.00 0.49 C ATOM 2258 C VAL B 54 19.045 7.658 4.216 1.00 0.48 C ATOM 2259 O VAL B 54 18.872 7.738 3.002 1.00 0.47 O ATOM 2260 CB VAL B 54 17.008 7.163 5.590 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.131 7.703 4.470 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.258 6.106 6.382 1.00 0.58 C ATOM 0 H VAL B 54 18.811 6.246 7.050 1.00 0.54 H new ATOM 0 HA VAL B 54 18.095 5.740 4.393 1.00 0.49 H new ATOM 0 HB VAL B 54 17.256 7.990 6.255 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.208 8.101 4.891 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.661 8.496 3.943 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.895 6.899 3.773 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.329 6.529 6.765 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.031 5.259 5.735 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.875 5.770 7.216 1.00 0.58 H new ATOM 2272 N GLN B 55 19.861 8.460 4.889 1.00 0.53 N ATOM 2273 CA GLN B 55 20.623 9.527 4.242 1.00 0.58 C ATOM 2274 C GLN B 55 21.406 9.010 3.036 1.00 0.58 C ATOM 2275 O GLN B 55 21.302 9.558 1.934 1.00 0.64 O ATOM 2276 CB GLN B 55 21.588 10.154 5.245 1.00 0.67 C ATOM 2277 CG GLN B 55 21.134 11.500 5.773 1.00 0.88 C ATOM 2278 CD GLN B 55 22.063 12.046 6.842 1.00 0.92 C ATOM 2279 OE1 GLN B 55 23.246 11.717 6.884 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.531 12.888 7.710 1.00 1.23 N ATOM 0 H GLN B 55 20.015 8.392 5.895 1.00 0.53 H new ATOM 0 HA GLN B 55 19.913 10.275 3.889 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.719 9.471 6.084 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.563 10.270 4.773 1.00 0.67 H new ATOM 0 HG2 GLN B 55 21.077 12.210 4.948 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.128 11.406 6.183 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.544 13.136 7.641 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.107 13.290 8.449 1.00 1.23 H new ATOM 2289 N GLN B 56 22.172 7.945 3.249 1.00 0.56 N ATOM 2290 CA GLN B 56 22.980 7.352 2.190 1.00 0.60 C ATOM 2291 C GLN B 56 22.095 6.766 1.095 1.00 0.55 C ATOM 2292 O GLN B 56 22.411 6.864 -0.094 1.00 0.62 O ATOM 2293 CB GLN B 56 23.890 6.264 2.765 1.00 0.65 C ATOM 2294 CG GLN B 56 24.881 5.703 1.758 1.00 0.80 C ATOM 2295 CD GLN B 56 26.320 5.936 2.166 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.930 5.100 2.833 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.875 7.069 1.767 1.00 1.27 N ATOM 0 H GLN B 56 22.250 7.473 4.150 1.00 0.56 H new ATOM 0 HA GLN B 56 23.596 8.137 1.752 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.439 6.673 3.613 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.273 5.450 3.147 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.709 4.633 1.642 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.704 6.162 0.785 1.00 0.80 H new ATOM 0 HE21 GLN B 56 26.334 7.735 1.215 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.844 7.276 2.011 1.00 1.27 H new ATOM 2306 N PHE B 57 20.987 6.159 1.508 1.00 0.50 N ATOM 2307 CA PHE B 57 20.043 5.555 0.575 1.00 0.49 C ATOM 2308 C PHE B 57 19.417 6.622 -0.320 1.00 0.47 C ATOM 2309 O PHE B 57 19.332 6.450 -1.535 1.00 0.49 O ATOM 2310 CB PHE B 57 18.959 4.796 1.353 1.00 0.48 C ATOM 2311 CG PHE B 57 17.903 4.164 0.489 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.246 3.267 -0.509 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.566 4.467 0.686 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.270 2.680 -1.296 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.587 3.886 -0.098 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.940 2.993 -1.089 1.00 0.64 C ATOM 0 H PHE B 57 20.720 6.072 2.489 1.00 0.50 H new ATOM 0 HA PHE B 57 20.577 4.851 -0.063 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.435 4.019 1.951 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.479 5.484 2.048 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.285 3.023 -0.675 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.285 5.165 1.461 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.547 1.979 -2.070 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.548 4.131 0.065 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.177 2.539 -1.703 1.00 0.64 H new ATOM 2326 N LYS B 58 19.001 7.726 0.291 1.00 0.47 N ATOM 2327 CA LYS B 58 18.384 8.833 -0.437 1.00 0.48 C ATOM 2328 C LYS B 58 19.302 9.347 -1.537 1.00 0.49 C ATOM 2329 O LYS B 58 18.902 9.448 -2.697 1.00 0.53 O ATOM 2330 CB LYS B 58 18.053 9.980 0.515 1.00 0.53 C ATOM 2331 CG LYS B 58 16.841 9.726 1.392 1.00 0.62 C ATOM 2332 CD LYS B 58 16.681 10.810 2.449 1.00 0.70 C ATOM 2333 CE LYS B 58 16.381 12.163 1.824 1.00 0.77 C ATOM 2334 NZ LYS B 58 17.474 13.145 2.063 1.00 1.01 N ATOM 0 H LYS B 58 19.080 7.880 1.296 1.00 0.47 H new ATOM 0 HA LYS B 58 17.467 8.457 -0.890 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.916 10.170 1.153 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.883 10.885 -0.068 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.945 9.685 0.773 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.938 8.755 1.877 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.876 10.537 3.131 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.593 10.877 3.043 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.232 12.041 0.751 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.449 12.552 2.233 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 17.514 13.819 1.272 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 17.291 13.660 2.948 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 18.382 12.643 2.136 1.00 1.01 H new ATOM 2348 N GLU B 59 20.542 9.657 -1.165 1.00 0.51 N ATOM 2349 CA GLU B 59 21.515 10.172 -2.116 1.00 0.56 C ATOM 2350 C GLU B 59 21.815 9.141 -3.196 1.00 0.57 C ATOM 2351 O GLU B 59 22.037 9.494 -4.355 1.00 0.65 O ATOM 2352 CB GLU B 59 22.803 10.592 -1.408 1.00 0.63 C ATOM 2353 CG GLU B 59 23.344 11.917 -1.919 1.00 1.06 C ATOM 2354 CD GLU B 59 24.625 12.333 -1.235 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.574 12.696 -0.040 1.00 1.14 O ATOM 2356 OE2 GLU B 59 25.686 12.316 -1.892 1.00 1.30 O ATOM 0 H GLU B 59 20.893 9.560 -0.212 1.00 0.51 H new ATOM 0 HA GLU B 59 21.083 11.053 -2.591 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.616 10.669 -0.337 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.558 9.818 -1.545 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.519 11.842 -2.992 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.592 12.692 -1.772 1.00 1.06 H new ATOM 2363 N ALA B 60 21.792 7.867 -2.820 1.00 0.55 N ATOM 2364 CA ALA B 60 22.052 6.791 -3.763 1.00 0.57 C ATOM 2365 C ALA B 60 21.004 6.795 -4.867 1.00 0.56 C ATOM 2366 O ALA B 60 21.330 6.652 -6.044 1.00 0.59 O ATOM 2367 CB ALA B 60 22.068 5.447 -3.056 1.00 0.59 C ATOM 0 H ALA B 60 21.596 7.556 -1.868 1.00 0.55 H new ATOM 0 HA ALA B 60 23.033 6.954 -4.208 1.00 0.57 H new ATOM 0 HB1 ALA B 60 22.264 4.657 -3.781 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.850 5.445 -2.296 1.00 0.59 H new ATOM 0 HB3 ALA B 60 21.102 5.273 -2.583 1.00 0.59 H new ATOM 2373 N ILE B 61 19.748 6.982 -4.480 1.00 0.52 N ATOM 2374 CA ILE B 61 18.656 7.015 -5.439 1.00 0.52 C ATOM 2375 C ILE B 61 18.831 8.182 -6.403 1.00 0.55 C ATOM 2376 O ILE B 61 18.766 8.002 -7.616 1.00 0.59 O ATOM 2377 CB ILE B 61 17.277 7.132 -4.753 1.00 0.50 C ATOM 2378 CG1 ILE B 61 17.085 6.010 -3.732 1.00 0.51 C ATOM 2379 CG2 ILE B 61 16.160 7.097 -5.793 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.783 6.106 -2.966 1.00 0.56 C ATOM 0 H ILE B 61 19.463 7.113 -3.509 1.00 0.52 H new ATOM 0 HA ILE B 61 18.687 6.071 -5.982 1.00 0.52 H new ATOM 0 HB ILE B 61 17.236 8.086 -4.228 1.00 0.50 H new ATOM 0 HG12 ILE B 61 17.124 5.050 -4.247 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.915 6.027 -3.026 1.00 0.51 H new ATOM 0 HG21 ILE B 61 15.195 7.180 -5.293 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.283 7.929 -6.487 1.00 0.52 H new ATOM 0 HG23 ILE B 61 16.204 6.157 -6.343 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.714 5.278 -2.260 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.749 7.050 -2.423 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.946 6.059 -3.663 1.00 0.56 H new ATOM 2392 N SER B 62 19.089 9.368 -5.868 1.00 0.55 N ATOM 2393 CA SER B 62 19.261 10.556 -6.696 1.00 0.59 C ATOM 2394 C SER B 62 20.461 10.430 -7.633 1.00 0.63 C ATOM 2395 O SER B 62 20.428 10.913 -8.761 1.00 0.70 O ATOM 2396 CB SER B 62 19.412 11.794 -5.818 1.00 0.61 C ATOM 2397 OG SER B 62 20.014 11.474 -4.575 1.00 0.70 O ATOM 0 H SER B 62 19.184 9.534 -4.866 1.00 0.55 H new ATOM 0 HA SER B 62 18.368 10.656 -7.313 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.016 12.538 -6.336 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.433 12.242 -5.646 1.00 0.61 H new ATOM 0 HG SER B 62 20.748 10.841 -4.720 1.00 0.70 H new ATOM 2403 N LYS B 63 21.504 9.750 -7.180 1.00 0.63 N ATOM 2404 CA LYS B 63 22.709 9.589 -7.982 1.00 0.69 C ATOM 2405 C LYS B 63 22.504 8.583 -9.113 1.00 0.71 C ATOM 2406 O LYS B 63 23.256 8.578 -10.085 1.00 0.82 O ATOM 2407 CB LYS B 63 23.875 9.152 -7.091 1.00 0.72 C ATOM 2408 CG LYS B 63 25.246 9.535 -7.633 1.00 0.84 C ATOM 2409 CD LYS B 63 25.357 11.035 -7.880 1.00 1.00 C ATOM 2410 CE LYS B 63 26.797 11.517 -7.785 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.688 10.794 -8.727 1.00 1.28 N ATOM 0 H LYS B 63 21.541 9.302 -6.264 1.00 0.63 H new ATOM 0 HA LYS B 63 22.940 10.553 -8.435 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.750 9.595 -6.103 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.835 8.070 -6.963 1.00 0.72 H new ATOM 0 HG2 LYS B 63 26.016 9.225 -6.927 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.432 8.998 -8.563 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.959 11.272 -8.867 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.746 11.570 -7.153 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.836 12.586 -7.996 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.159 11.380 -6.766 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.617 11.262 -8.755 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.805 9.811 -8.409 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 27.268 10.803 -9.678 1.00 1.28 H new ATOM 2425 N ARG B 64 21.488 7.734 -8.996 1.00 0.67 N ATOM 2426 CA ARG B 64 21.218 6.732 -10.025 1.00 0.70 C ATOM 2427 C ARG B 64 19.998 7.110 -10.864 1.00 0.70 C ATOM 2428 O ARG B 64 20.024 7.021 -12.092 1.00 0.75 O ATOM 2429 CB ARG B 64 21.003 5.356 -9.388 1.00 0.70 C ATOM 2430 CG ARG B 64 22.166 4.874 -8.529 1.00 0.72 C ATOM 2431 CD ARG B 64 23.365 4.464 -9.372 1.00 0.81 C ATOM 2432 NE ARG B 64 24.124 5.619 -9.858 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.350 5.943 -9.448 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.978 5.202 -8.543 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.941 7.019 -9.946 1.00 1.07 N ATOM 0 H ARG B 64 20.842 7.718 -8.207 1.00 0.67 H new ATOM 0 HA ARG B 64 22.086 6.692 -10.683 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.103 5.389 -8.774 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.823 4.627 -10.178 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.461 5.666 -7.840 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.843 4.028 -7.923 1.00 0.72 H new ATOM 0 HD2 ARG B 64 24.020 3.824 -8.781 1.00 0.81 H new ATOM 0 HD3 ARG B 64 23.024 3.873 -10.222 1.00 0.81 H new ATOM 0 HE ARG B 64 23.684 6.216 -10.558 1.00 0.84 H new ATOM 0 HH11 ARG B 64 25.522 4.376 -8.155 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.916 5.459 -8.236 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.458 7.592 -10.638 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.879 7.274 -9.638 1.00 1.07 H new ATOM 2449 N PHE B 65 18.938 7.533 -10.189 1.00 0.67 N ATOM 2450 CA PHE B 65 17.693 7.918 -10.846 1.00 0.68 C ATOM 2451 C PHE B 65 17.788 9.310 -11.451 1.00 0.70 C ATOM 2452 O PHE B 65 17.127 9.601 -12.451 1.00 0.75 O ATOM 2453 CB PHE B 65 16.539 7.879 -9.842 1.00 0.66 C ATOM 2454 CG PHE B 65 15.696 6.645 -9.933 1.00 0.68 C ATOM 2455 CD1 PHE B 65 16.225 5.397 -9.641 1.00 0.88 C ATOM 2456 CD2 PHE B 65 14.366 6.732 -10.310 1.00 0.82 C ATOM 2457 CE1 PHE B 65 15.441 4.263 -9.726 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.580 5.602 -10.396 1.00 0.97 C ATOM 2459 CZ PHE B 65 14.118 4.366 -10.102 1.00 1.00 C ATOM 0 H PHE B 65 18.915 7.619 -9.173 1.00 0.67 H new ATOM 0 HA PHE B 65 17.510 7.207 -11.651 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.945 7.956 -8.833 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.905 8.752 -9.998 1.00 0.66 H new ATOM 0 HD1 PHE B 65 17.260 5.311 -9.344 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.939 7.697 -10.540 1.00 0.82 H new ATOM 0 HE1 PHE B 65 15.864 3.296 -9.498 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.545 5.685 -10.693 1.00 0.97 H new ATOM 0 HZ PHE B 65 13.504 3.480 -10.166 1.00 1.00 H new ATOM 2469 N LYS B 66 18.606 10.162 -10.832 1.00 0.68 N ATOM 2470 CA LYS B 66 18.801 11.539 -11.274 1.00 0.71 C ATOM 2471 C LYS B 66 17.500 12.329 -11.139 1.00 0.70 C ATOM 2472 O LYS B 66 16.726 12.451 -12.090 1.00 0.83 O ATOM 2473 CB LYS B 66 19.322 11.581 -12.716 1.00 0.79 C ATOM 2474 CG LYS B 66 19.990 12.896 -13.087 1.00 0.93 C ATOM 2475 CD LYS B 66 20.790 12.773 -14.376 1.00 1.05 C ATOM 2476 CE LYS B 66 19.884 12.637 -15.591 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.657 12.574 -16.862 1.00 1.27 N ATOM 0 H LYS B 66 19.153 9.914 -10.008 1.00 0.68 H new ATOM 0 HA LYS B 66 19.552 12.004 -10.635 1.00 0.71 H new ATOM 0 HB2 LYS B 66 20.035 10.769 -12.859 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.491 11.400 -13.398 1.00 0.79 H new ATOM 0 HG2 LYS B 66 19.232 13.671 -13.201 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.649 13.211 -12.278 1.00 0.93 H new ATOM 0 HD2 LYS B 66 21.427 13.650 -14.494 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.448 11.906 -14.314 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.277 11.737 -15.491 1.00 1.07 H new ATOM 0 HE3 LYS B 66 19.197 13.482 -15.627 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 20.001 12.482 -17.663 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 21.217 13.444 -16.971 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.294 11.753 -16.840 1.00 1.27 H new ATOM 2491 N SER B 67 17.248 12.840 -9.938 1.00 0.66 N ATOM 2492 CA SER B 67 16.034 13.605 -9.672 1.00 0.68 C ATOM 2493 C SER B 67 16.260 14.628 -8.553 1.00 0.69 C ATOM 2494 O SER B 67 16.651 15.769 -8.819 1.00 0.90 O ATOM 2495 CB SER B 67 14.877 12.658 -9.319 1.00 0.68 C ATOM 2496 OG SER B 67 14.683 11.690 -10.339 1.00 1.34 O ATOM 0 H SER B 67 17.867 12.739 -9.134 1.00 0.66 H new ATOM 0 HA SER B 67 15.771 14.155 -10.576 1.00 0.68 H new ATOM 0 HB2 SER B 67 15.087 12.158 -8.373 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.961 13.233 -9.179 1.00 0.68 H new ATOM 0 HG SER B 67 13.943 11.098 -10.091 1.00 1.34 H new ATOM 2502 N GLN B 68 16.025 14.219 -7.309 1.00 0.59 N ATOM 2503 CA GLN B 68 16.190 15.100 -6.157 1.00 0.59 C ATOM 2504 C GLN B 68 16.690 14.307 -4.954 1.00 0.54 C ATOM 2505 O GLN B 68 16.635 13.078 -4.957 1.00 0.52 O ATOM 2506 CB GLN B 68 14.856 15.769 -5.812 1.00 0.64 C ATOM 2507 CG GLN B 68 14.458 16.882 -6.770 1.00 0.79 C ATOM 2508 CD GLN B 68 12.956 16.984 -6.953 1.00 0.85 C ATOM 2509 OE1 GLN B 68 12.242 15.986 -6.889 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.470 18.192 -7.189 1.00 1.09 N ATOM 0 H GLN B 68 15.717 13.276 -7.072 1.00 0.59 H new ATOM 0 HA GLN B 68 16.923 15.867 -6.408 1.00 0.59 H new ATOM 0 HB2 GLN B 68 14.072 15.012 -5.805 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.915 16.176 -4.803 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.840 17.832 -6.396 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.927 16.708 -7.738 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.098 18.995 -7.234 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.467 18.321 -7.326 1.00 1.09 H new ATOM 2519 N THR B 69 17.180 15.009 -3.938 1.00 0.56 N ATOM 2520 CA THR B 69 17.681 14.358 -2.733 1.00 0.56 C ATOM 2521 C THR B 69 16.977 14.878 -1.478 1.00 0.54 C ATOM 2522 O THR B 69 16.516 14.093 -0.648 1.00 0.55 O ATOM 2523 CB THR B 69 19.201 14.558 -2.585 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.851 14.249 -3.826 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.764 13.670 -1.484 1.00 0.70 C ATOM 0 H THR B 69 17.241 16.027 -3.925 1.00 0.56 H new ATOM 0 HA THR B 69 17.468 13.294 -2.838 1.00 0.56 H new ATOM 0 HB THR B 69 19.385 15.599 -2.318 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.972 13.279 -3.899 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.839 13.831 -1.401 1.00 0.70 H new ATOM 0 HG22 THR B 69 19.285 13.918 -0.536 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.571 12.625 -1.725 1.00 0.70 H new ATOM 2533 N ASP B 70 16.890 16.195 -1.336 1.00 0.56 N ATOM 2534 CA ASP B 70 16.239 16.792 -0.167 1.00 0.58 C ATOM 2535 C ASP B 70 14.729 16.584 -0.219 1.00 0.55 C ATOM 2536 O ASP B 70 14.091 16.304 0.797 1.00 0.57 O ATOM 2537 CB ASP B 70 16.558 18.287 -0.073 1.00 0.66 C ATOM 2538 CG ASP B 70 15.847 18.967 1.087 1.00 0.76 C ATOM 2539 OD1 ASP B 70 16.162 18.649 2.255 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.972 19.829 0.834 1.00 0.95 O ATOM 0 H ASP B 70 17.258 16.869 -2.008 1.00 0.56 H new ATOM 0 HA ASP B 70 16.628 16.294 0.721 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.634 18.418 0.039 1.00 0.66 H new ATOM 0 HB3 ASP B 70 16.272 18.775 -1.005 1.00 0.66 H new ATOM 2545 N GLN B 71 14.165 16.705 -1.414 1.00 0.56 N ATOM 2546 CA GLN B 71 12.726 16.534 -1.605 1.00 0.58 C ATOM 2547 C GLN B 71 12.367 15.070 -1.852 1.00 0.54 C ATOM 2548 O GLN B 71 11.204 14.738 -2.069 1.00 0.66 O ATOM 2549 CB GLN B 71 12.241 17.385 -2.778 1.00 0.65 C ATOM 2550 CG GLN B 71 12.389 18.876 -2.544 1.00 0.83 C ATOM 2551 CD GLN B 71 12.163 19.680 -3.803 1.00 0.92 C ATOM 2552 OE1 GLN B 71 11.038 20.066 -4.119 1.00 1.13 O ATOM 2553 NE2 GLN B 71 13.232 19.937 -4.535 1.00 1.18 N ATOM 0 H GLN B 71 14.680 16.921 -2.267 1.00 0.56 H new ATOM 0 HA GLN B 71 12.231 16.860 -0.690 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.799 17.108 -3.673 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.193 17.158 -2.973 1.00 0.65 H new ATOM 0 HG2 GLN B 71 11.679 19.194 -1.780 1.00 0.83 H new ATOM 0 HG3 GLN B 71 13.387 19.083 -2.157 1.00 0.83 H new ATOM 0 HE21 GLN B 71 14.147 19.599 -4.238 1.00 1.18 H new ATOM 0 HE22 GLN B 71 13.142 20.474 -5.398 1.00 1.18 H new ATOM 2562 N LEU B 72 13.367 14.199 -1.805 1.00 0.51 N ATOM 2563 CA LEU B 72 13.149 12.779 -2.035 1.00 0.49 C ATOM 2564 C LEU B 72 12.654 12.101 -0.762 1.00 0.43 C ATOM 2565 O LEU B 72 13.440 11.745 0.120 1.00 0.51 O ATOM 2566 CB LEU B 72 14.441 12.119 -2.523 1.00 0.57 C ATOM 2567 CG LEU B 72 14.250 10.881 -3.396 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.789 11.275 -4.791 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.540 10.081 -3.461 1.00 1.00 C ATOM 0 H LEU B 72 14.336 14.452 -1.610 1.00 0.51 H new ATOM 0 HA LEU B 72 12.385 12.665 -2.804 1.00 0.49 H new ATOM 0 HB2 LEU B 72 15.016 12.855 -3.085 1.00 0.57 H new ATOM 0 HB3 LEU B 72 15.039 11.843 -1.655 1.00 0.57 H new ATOM 0 HG LEU B 72 13.477 10.255 -2.949 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.659 10.379 -5.398 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.841 11.809 -4.724 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.537 11.920 -5.253 1.00 0.88 H new ATOM 0 HD21 LEU B 72 15.391 9.201 -4.086 1.00 1.00 H new ATOM 0 HD22 LEU B 72 16.330 10.699 -3.887 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.825 9.768 -2.457 1.00 1.00 H new ATOM 2581 N VAL B 73 11.346 11.941 -0.658 1.00 0.37 N ATOM 2582 CA VAL B 73 10.748 11.315 0.509 1.00 0.35 C ATOM 2583 C VAL B 73 10.087 9.994 0.128 1.00 0.30 C ATOM 2584 O VAL B 73 9.411 9.901 -0.897 1.00 0.31 O ATOM 2585 CB VAL B 73 9.700 12.238 1.169 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.208 11.652 2.483 1.00 0.46 C ATOM 2587 CG2 VAL B 73 10.268 13.635 1.381 1.00 0.55 C ATOM 0 H VAL B 73 10.677 12.236 -1.369 1.00 0.37 H new ATOM 0 HA VAL B 73 11.549 11.129 1.225 1.00 0.35 H new ATOM 0 HB VAL B 73 8.847 12.315 0.494 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.471 12.322 2.927 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.751 10.680 2.299 1.00 0.46 H new ATOM 0 HG13 VAL B 73 10.049 11.534 3.166 1.00 0.46 H new ATOM 0 HG21 VAL B 73 9.513 14.268 1.847 1.00 0.55 H new ATOM 0 HG22 VAL B 73 11.143 13.578 2.028 1.00 0.55 H new ATOM 0 HG23 VAL B 73 10.555 14.061 0.420 1.00 0.55 H new ATOM 2597 N LEU B 74 10.288 8.978 0.948 1.00 0.30 N ATOM 2598 CA LEU B 74 9.702 7.674 0.695 1.00 0.29 C ATOM 2599 C LEU B 74 8.520 7.459 1.629 1.00 0.28 C ATOM 2600 O LEU B 74 8.458 8.056 2.700 1.00 0.36 O ATOM 2601 CB LEU B 74 10.736 6.559 0.882 1.00 0.33 C ATOM 2602 CG LEU B 74 11.676 6.305 -0.307 1.00 0.42 C ATOM 2603 CD1 LEU B 74 10.892 6.195 -1.611 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.735 7.394 -0.408 1.00 0.64 C ATOM 0 H LEU B 74 10.853 9.031 1.796 1.00 0.30 H new ATOM 0 HA LEU B 74 9.359 7.641 -0.339 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.343 6.797 1.755 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.206 5.633 1.105 1.00 0.33 H new ATOM 0 HG LEU B 74 12.181 5.355 -0.134 1.00 0.42 H new ATOM 0 HD11 LEU B 74 11.581 6.015 -2.436 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.185 5.368 -1.542 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.348 7.123 -1.788 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.387 7.190 -1.258 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.251 8.361 -0.546 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.327 7.412 0.507 1.00 0.64 H new ATOM 2616 N ILE B 75 7.580 6.623 1.214 1.00 0.29 N ATOM 2617 CA ILE B 75 6.394 6.335 2.013 1.00 0.33 C ATOM 2618 C ILE B 75 6.168 4.833 2.120 1.00 0.31 C ATOM 2619 O ILE B 75 6.318 4.114 1.137 1.00 0.36 O ATOM 2620 CB ILE B 75 5.128 6.964 1.387 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.286 8.477 1.221 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.897 6.642 2.226 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.528 9.212 2.520 1.00 0.74 C ATOM 0 H ILE B 75 7.615 6.128 0.323 1.00 0.29 H new ATOM 0 HA ILE B 75 6.567 6.763 3.001 1.00 0.33 H new ATOM 0 HB ILE B 75 4.994 6.530 0.396 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.116 8.674 0.543 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.388 8.877 0.750 1.00 0.47 H new ATOM 0 HG21 ILE B 75 3.017 7.094 1.769 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.765 5.561 2.278 1.00 0.54 H new ATOM 0 HG23 ILE B 75 4.028 7.040 3.232 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.630 10.279 2.321 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.687 9.047 3.194 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.442 8.841 2.983 1.00 0.74 H new ATOM 2635 N PHE B 76 5.806 4.368 3.307 1.00 0.31 N ATOM 2636 CA PHE B 76 5.538 2.957 3.511 1.00 0.35 C ATOM 2637 C PHE B 76 4.149 2.755 4.114 1.00 0.31 C ATOM 2638 O PHE B 76 4.011 2.550 5.320 1.00 0.40 O ATOM 2639 CB PHE B 76 6.608 2.317 4.404 1.00 0.48 C ATOM 2640 CG PHE B 76 6.433 0.832 4.578 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.353 -0.003 3.477 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.335 0.274 5.845 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.176 -1.362 3.633 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.163 -1.084 6.007 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.079 -1.906 4.898 1.00 0.78 C ATOM 0 H PHE B 76 5.692 4.947 4.139 1.00 0.31 H new ATOM 0 HA PHE B 76 5.569 2.465 2.539 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.591 2.512 3.976 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.586 2.795 5.383 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.430 0.415 2.484 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.394 0.912 6.715 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.113 -2.001 2.765 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.094 -1.506 6.999 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.938 -2.970 5.021 1.00 0.78 H new ATOM 2655 N ALA B 77 3.131 2.870 3.264 1.00 0.40 N ATOM 2656 CA ALA B 77 1.736 2.675 3.657 1.00 0.48 C ATOM 2657 C ALA B 77 1.273 3.695 4.695 1.00 0.41 C ATOM 2658 O ALA B 77 1.236 3.412 5.895 1.00 0.44 O ATOM 2659 CB ALA B 77 1.509 1.254 4.158 1.00 0.62 C ATOM 0 H ALA B 77 3.251 3.102 2.278 1.00 0.40 H new ATOM 0 HA ALA B 77 1.131 2.833 2.765 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.465 1.132 4.445 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.753 0.546 3.366 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.147 1.067 5.022 1.00 0.62 H new ATOM 2665 N GLY B 78 0.932 4.887 4.215 1.00 0.46 N ATOM 2666 CA GLY B 78 0.446 5.943 5.082 1.00 0.54 C ATOM 2667 C GLY B 78 1.451 6.451 6.103 1.00 0.50 C ATOM 2668 O GLY B 78 1.057 7.085 7.085 1.00 0.63 O ATOM 0 H GLY B 78 0.985 5.141 3.229 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.124 6.781 4.463 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.435 5.581 5.611 1.00 0.54 H new ATOM 2672 N LYS B 79 2.737 6.202 5.882 1.00 0.42 N ATOM 2673 CA LYS B 79 3.766 6.653 6.817 1.00 0.43 C ATOM 2674 C LYS B 79 5.017 7.112 6.075 1.00 0.39 C ATOM 2675 O LYS B 79 5.471 6.452 5.137 1.00 0.43 O ATOM 2676 CB LYS B 79 4.123 5.543 7.813 1.00 0.50 C ATOM 2677 CG LYS B 79 3.873 5.918 9.268 1.00 0.72 C ATOM 2678 CD LYS B 79 2.385 5.980 9.579 1.00 1.16 C ATOM 2679 CE LYS B 79 2.103 6.776 10.843 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.642 6.989 11.055 1.00 2.02 N ATOM 0 H LYS B 79 3.092 5.695 5.071 1.00 0.42 H new ATOM 0 HA LYS B 79 3.361 7.501 7.370 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.543 4.652 7.573 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.174 5.282 7.690 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.352 5.188 9.921 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.331 6.884 9.480 1.00 0.72 H new ATOM 0 HD2 LYS B 79 1.857 6.433 8.740 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.995 4.968 9.692 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.521 6.252 11.702 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.605 7.742 10.783 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.494 7.536 11.927 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.247 7.512 10.247 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.165 6.068 11.138 1.00 2.02 H new ATOM 2694 N ILE B 80 5.562 8.245 6.505 1.00 0.37 N ATOM 2695 CA ILE B 80 6.750 8.828 5.888 1.00 0.39 C ATOM 2696 C ILE B 80 8.026 8.048 6.204 1.00 0.39 C ATOM 2697 O ILE B 80 8.104 7.316 7.190 1.00 0.61 O ATOM 2698 CB ILE B 80 6.950 10.296 6.333 1.00 0.52 C ATOM 2699 CG1 ILE B 80 7.062 10.388 7.859 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.811 11.169 5.831 1.00 0.97 C ATOM 2701 CD1 ILE B 80 8.401 10.906 8.336 1.00 1.18 C ATOM 0 H ILE B 80 5.195 8.784 7.289 1.00 0.37 H new ATOM 0 HA ILE B 80 6.574 8.782 4.813 1.00 0.39 H new ATOM 0 HB ILE B 80 7.880 10.660 5.897 1.00 0.52 H new ATOM 0 HG12 ILE B 80 6.274 11.041 8.234 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.889 9.401 8.288 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.971 12.197 6.155 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.777 11.132 4.742 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.867 10.804 6.236 1.00 0.97 H new ATOM 0 HD11 ILE B 80 8.409 10.945 9.425 1.00 1.18 H new ATOM 0 HD12 ILE B 80 9.192 10.241 7.991 1.00 1.18 H new ATOM 0 HD13 ILE B 80 8.568 11.906 7.936 1.00 1.18 H new ATOM 2713 N LEU B 81 9.015 8.218 5.340 1.00 0.30 N ATOM 2714 CA LEU B 81 10.318 7.586 5.484 1.00 0.34 C ATOM 2715 C LEU B 81 11.403 8.599 5.144 1.00 0.36 C ATOM 2716 O LEU B 81 11.449 9.106 4.017 1.00 0.46 O ATOM 2717 CB LEU B 81 10.443 6.388 4.540 1.00 0.44 C ATOM 2718 CG LEU B 81 10.014 5.037 5.108 1.00 0.57 C ATOM 2719 CD1 LEU B 81 9.720 4.063 3.980 1.00 1.01 C ATOM 2720 CD2 LEU B 81 11.094 4.478 6.014 1.00 0.78 C ATOM 0 H LEU B 81 8.935 8.805 4.510 1.00 0.30 H new ATOM 0 HA LEU B 81 10.429 7.240 6.512 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.848 6.590 3.649 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.482 6.311 4.219 1.00 0.44 H new ATOM 0 HG LEU B 81 9.107 5.179 5.695 1.00 0.57 H new ATOM 0 HD11 LEU B 81 9.415 3.104 4.398 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.918 4.459 3.357 1.00 1.01 H new ATOM 0 HD13 LEU B 81 10.616 3.927 3.374 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.773 3.515 6.411 1.00 0.78 H new ATOM 0 HD22 LEU B 81 12.015 4.348 5.445 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.271 5.169 6.838 1.00 0.78 H new ATOM 2732 N LYS B 82 12.273 8.898 6.100 1.00 0.39 N ATOM 2733 CA LYS B 82 13.344 9.863 5.880 1.00 0.47 C ATOM 2734 C LYS B 82 14.430 9.721 6.937 1.00 0.49 C ATOM 2735 O LYS B 82 14.524 8.701 7.615 1.00 0.63 O ATOM 2736 CB LYS B 82 12.789 11.296 5.891 1.00 0.54 C ATOM 2737 CG LYS B 82 12.855 11.982 4.533 1.00 0.94 C ATOM 2738 CD LYS B 82 12.750 13.497 4.650 1.00 1.01 C ATOM 2739 CE LYS B 82 11.391 13.940 5.176 1.00 1.22 C ATOM 2740 NZ LYS B 82 11.277 15.422 5.235 1.00 1.35 N ATOM 0 H LYS B 82 12.259 8.488 7.034 1.00 0.39 H new ATOM 0 HA LYS B 82 13.782 9.660 4.903 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.753 11.273 6.228 1.00 0.54 H new ATOM 0 HB3 LYS B 82 13.347 11.888 6.616 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.792 11.721 4.041 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.049 11.611 3.900 1.00 0.94 H new ATOM 0 HD2 LYS B 82 13.532 13.864 5.315 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.924 13.948 3.673 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.605 13.540 4.535 1.00 1.22 H new ATOM 0 HE3 LYS B 82 11.233 13.524 6.171 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 10.338 15.684 5.598 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 12.011 15.802 5.867 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 11.402 15.818 4.282 1.00 1.35 H new ATOM 2754 N ASP B 83 15.234 10.767 7.083 1.00 0.60 N ATOM 2755 CA ASP B 83 16.323 10.790 8.055 1.00 0.68 C ATOM 2756 C ASP B 83 15.786 10.813 9.481 1.00 0.68 C ATOM 2757 O ASP B 83 16.535 10.637 10.443 1.00 0.89 O ATOM 2758 CB ASP B 83 17.204 12.020 7.822 1.00 0.88 C ATOM 2759 CG ASP B 83 16.446 13.322 8.025 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.610 13.668 7.160 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.687 14.004 9.042 1.00 1.52 O ATOM 0 H ASP B 83 15.151 11.622 6.533 1.00 0.60 H new ATOM 0 HA ASP B 83 16.913 9.883 7.922 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.055 11.988 8.502 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.605 11.990 6.809 1.00 0.88 H new ATOM 2766 N GLN B 84 14.484 11.036 9.606 1.00 0.60 N ATOM 2767 CA GLN B 84 13.831 11.083 10.905 1.00 0.67 C ATOM 2768 C GLN B 84 13.707 9.683 11.493 1.00 0.61 C ATOM 2769 O GLN B 84 13.578 9.515 12.709 1.00 0.81 O ATOM 2770 CB GLN B 84 12.445 11.714 10.770 1.00 0.77 C ATOM 2771 CG GLN B 84 12.463 13.084 10.116 1.00 0.93 C ATOM 2772 CD GLN B 84 11.085 13.555 9.696 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.077 13.200 10.306 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.036 14.362 8.647 1.00 1.28 N ATOM 0 H GLN B 84 13.857 11.188 8.816 1.00 0.60 H new ATOM 0 HA GLN B 84 14.439 11.690 11.576 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.808 11.050 10.186 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.995 11.799 11.759 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.893 13.807 10.810 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.114 13.055 9.242 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.897 14.631 8.170 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.138 14.714 8.316 1.00 1.28 H new ATOM 2783 N ASP B 85 13.750 8.687 10.623 1.00 0.52 N ATOM 2784 CA ASP B 85 13.643 7.297 11.034 1.00 0.51 C ATOM 2785 C ASP B 85 14.711 6.458 10.338 1.00 0.44 C ATOM 2786 O ASP B 85 15.743 6.986 9.918 1.00 0.48 O ATOM 2787 CB ASP B 85 12.236 6.760 10.733 1.00 0.61 C ATOM 2788 CG ASP B 85 11.986 6.530 9.253 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.953 7.516 8.482 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.804 5.357 8.865 1.00 0.86 O ATOM 0 H ASP B 85 13.859 8.818 9.617 1.00 0.52 H new ATOM 0 HA ASP B 85 13.807 7.232 12.110 1.00 0.51 H new ATOM 0 HB2 ASP B 85 12.090 5.822 11.269 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.496 7.464 11.114 1.00 0.61 H new ATOM 2795 N THR B 86 14.490 5.157 10.237 1.00 0.49 N ATOM 2796 CA THR B 86 15.445 4.277 9.595 1.00 0.47 C ATOM 2797 C THR B 86 14.733 3.262 8.701 1.00 0.42 C ATOM 2798 O THR B 86 13.797 2.581 9.133 1.00 0.41 O ATOM 2799 CB THR B 86 16.315 3.541 10.633 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.532 4.385 11.772 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.654 3.146 10.030 1.00 0.67 C ATOM 0 H THR B 86 13.656 4.690 10.593 1.00 0.49 H new ATOM 0 HA THR B 86 16.096 4.897 8.978 1.00 0.47 H new ATOM 0 HB THR B 86 15.791 2.637 10.942 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.084 3.912 12.429 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.252 2.628 10.780 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.489 2.486 9.178 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.182 4.040 9.699 1.00 0.67 H new ATOM 2809 N LEU B 87 15.196 3.167 7.458 1.00 0.43 N ATOM 2810 CA LEU B 87 14.618 2.259 6.467 1.00 0.42 C ATOM 2811 C LEU B 87 14.603 0.814 6.955 1.00 0.42 C ATOM 2812 O LEU B 87 13.615 0.109 6.786 1.00 0.44 O ATOM 2813 CB LEU B 87 15.409 2.348 5.158 1.00 0.51 C ATOM 2814 CG LEU B 87 14.871 1.489 4.008 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.615 2.114 3.418 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.937 1.307 2.936 1.00 0.66 C ATOM 0 H LEU B 87 15.981 3.716 7.108 1.00 0.43 H new ATOM 0 HA LEU B 87 13.585 2.567 6.303 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.428 3.389 4.834 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.441 2.057 5.355 1.00 0.51 H new ATOM 0 HG LEU B 87 14.611 0.507 4.402 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.247 1.491 2.603 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.850 2.191 4.190 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.848 3.109 3.038 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.539 0.695 2.127 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.229 2.281 2.544 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.808 0.814 3.369 1.00 0.66 H new ATOM 2828 N ILE B 88 15.690 0.382 7.576 1.00 0.47 N ATOM 2829 CA ILE B 88 15.796 -0.991 8.065 1.00 0.53 C ATOM 2830 C ILE B 88 15.058 -1.194 9.386 1.00 0.54 C ATOM 2831 O ILE B 88 15.030 -2.304 9.920 1.00 0.66 O ATOM 2832 CB ILE B 88 17.270 -1.413 8.232 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.046 -0.371 9.047 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.915 -1.611 6.870 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.401 -0.829 10.444 1.00 0.91 C ATOM 0 H ILE B 88 16.512 0.959 7.755 1.00 0.47 H new ATOM 0 HA ILE B 88 15.324 -1.620 7.311 1.00 0.53 H new ATOM 0 HB ILE B 88 17.299 -2.358 8.775 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.962 -0.116 8.515 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.452 0.540 9.114 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.955 -1.909 7.000 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.381 -2.388 6.324 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.872 -0.678 6.308 1.00 0.67 H new ATOM 0 HD11 ILE B 88 18.948 -0.039 10.958 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.489 -1.056 10.995 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.022 -1.723 10.387 1.00 0.91 H new ATOM 2847 N GLN B 89 14.455 -0.135 9.905 1.00 0.48 N ATOM 2848 CA GLN B 89 13.735 -0.225 11.168 1.00 0.53 C ATOM 2849 C GLN B 89 12.238 -0.400 10.942 1.00 0.52 C ATOM 2850 O GLN B 89 11.647 -1.380 11.389 1.00 0.71 O ATOM 2851 CB GLN B 89 13.992 1.021 12.017 1.00 0.57 C ATOM 2852 CG GLN B 89 13.307 0.987 13.376 1.00 0.69 C ATOM 2853 CD GLN B 89 13.864 -0.090 14.288 1.00 0.82 C ATOM 2854 OE1 GLN B 89 14.815 0.147 15.036 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.279 -1.275 14.234 1.00 0.89 N ATOM 0 H GLN B 89 14.449 0.790 9.476 1.00 0.48 H new ATOM 0 HA GLN B 89 14.104 -1.103 11.699 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.066 1.135 12.164 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.651 1.900 11.470 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.418 1.958 13.858 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.239 0.821 13.235 1.00 0.69 H new ATOM 0 HE21 GLN B 89 12.494 -1.428 13.600 1.00 0.89 H new ATOM 0 HE22 GLN B 89 13.612 -2.036 14.826 1.00 0.89 H new ATOM 2864 N HIS B 90 11.624 0.552 10.252 1.00 0.49 N ATOM 2865 CA HIS B 90 10.189 0.492 9.999 1.00 0.51 C ATOM 2866 C HIS B 90 9.877 0.486 8.506 1.00 0.50 C ATOM 2867 O HIS B 90 8.785 0.098 8.096 1.00 0.75 O ATOM 2868 CB HIS B 90 9.494 1.684 10.664 1.00 0.59 C ATOM 2869 CG HIS B 90 8.050 1.447 10.991 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.030 1.562 10.067 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.455 1.096 12.156 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.875 1.303 10.654 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.108 1.014 11.919 1.00 1.10 N ATOM 0 H HIS B 90 12.092 1.369 9.860 1.00 0.49 H new ATOM 0 HA HIS B 90 9.817 -0.440 10.423 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.026 1.936 11.581 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.569 2.549 10.004 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.951 0.914 13.098 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.905 1.324 10.179 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.399 0.769 12.610 1.00 1.10 H new ATOM 2882 N GLY B 91 10.837 0.908 7.698 1.00 0.45 N ATOM 2883 CA GLY B 91 10.628 0.961 6.264 1.00 0.46 C ATOM 2884 C GLY B 91 10.489 -0.407 5.618 1.00 0.45 C ATOM 2885 O GLY B 91 9.418 -0.768 5.139 1.00 0.64 O ATOM 0 H GLY B 91 11.759 1.215 8.009 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.730 1.544 6.058 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.463 1.488 5.803 1.00 0.46 H new ATOM 2889 N ILE B 92 11.573 -1.168 5.609 1.00 0.38 N ATOM 2890 CA ILE B 92 11.575 -2.487 4.999 1.00 0.39 C ATOM 2891 C ILE B 92 12.017 -3.549 6.000 1.00 0.41 C ATOM 2892 O ILE B 92 13.102 -3.459 6.577 1.00 0.46 O ATOM 2893 CB ILE B 92 12.514 -2.531 3.768 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.178 -1.401 2.787 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.424 -3.882 3.075 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.804 -1.514 2.160 1.00 0.43 C ATOM 0 H ILE B 92 12.465 -0.892 6.019 1.00 0.38 H new ATOM 0 HA ILE B 92 10.554 -2.695 4.678 1.00 0.39 H new ATOM 0 HB ILE B 92 13.537 -2.389 4.116 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.250 -0.447 3.310 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.927 -1.387 1.995 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.091 -3.894 2.213 1.00 0.47 H new ATOM 0 HG22 ILE B 92 12.717 -4.668 3.771 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.400 -4.054 2.744 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.645 -0.677 1.480 1.00 0.43 H new ATOM 0 HD12 ILE B 92 10.732 -2.450 1.607 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.045 -1.496 2.942 1.00 0.43 H new ATOM 2908 N HIS B 93 11.171 -4.549 6.209 1.00 0.46 N ATOM 2909 CA HIS B 93 11.480 -5.636 7.130 1.00 0.52 C ATOM 2910 C HIS B 93 12.302 -6.712 6.430 1.00 0.54 C ATOM 2911 O HIS B 93 12.969 -7.514 7.079 1.00 0.66 O ATOM 2912 CB HIS B 93 10.198 -6.249 7.696 1.00 0.58 C ATOM 2913 CG HIS B 93 9.858 -5.771 9.077 1.00 0.65 C ATOM 2914 ND1 HIS B 93 8.945 -4.768 9.325 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.316 -6.168 10.288 1.00 1.25 C ATOM 2916 CE1 HIS B 93 8.856 -4.570 10.626 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.676 -5.406 11.232 1.00 1.10 N ATOM 0 H HIS B 93 10.263 -4.630 5.752 1.00 0.46 H new ATOM 0 HA HIS B 93 12.063 -5.224 7.953 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.369 -6.017 7.027 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.301 -7.334 7.712 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.048 -6.940 10.475 1.00 1.25 H new ATOM 0 HE1 HIS B 93 8.219 -3.846 11.112 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.812 -5.475 12.240 1.00 1.10 H new ATOM 2926 N ASP B 94 12.241 -6.722 5.102 1.00 0.58 N ATOM 2927 CA ASP B 94 12.980 -7.694 4.298 1.00 0.63 C ATOM 2928 C ASP B 94 12.879 -7.346 2.817 1.00 0.78 C ATOM 2929 O ASP B 94 13.890 -7.165 2.136 1.00 1.65 O ATOM 2930 CB ASP B 94 12.449 -9.109 4.528 1.00 0.67 C ATOM 2931 CG ASP B 94 13.246 -10.146 3.768 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.370 -10.472 4.204 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.752 -10.646 2.737 1.00 1.08 O ATOM 0 H ASP B 94 11.684 -6.065 4.556 1.00 0.58 H new ATOM 0 HA ASP B 94 14.025 -7.657 4.606 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.479 -9.338 5.593 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.404 -9.158 4.221 1.00 0.67 H new ATOM 2938 N GLY B 95 11.650 -7.243 2.328 1.00 0.57 N ATOM 2939 CA GLY B 95 11.430 -6.913 0.934 1.00 0.52 C ATOM 2940 C GLY B 95 10.031 -6.390 0.693 1.00 0.46 C ATOM 2941 O GLY B 95 9.093 -7.171 0.526 1.00 0.53 O ATOM 0 H GLY B 95 10.800 -7.383 2.874 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.157 -6.164 0.619 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.598 -7.798 0.320 1.00 0.52 H new ATOM 2945 N LEU B 96 9.886 -5.075 0.669 1.00 0.41 N ATOM 2946 CA LEU B 96 8.582 -4.458 0.468 1.00 0.40 C ATOM 2947 C LEU B 96 8.675 -3.282 -0.496 1.00 0.37 C ATOM 2948 O LEU B 96 9.770 -2.840 -0.851 1.00 0.41 O ATOM 2949 CB LEU B 96 8.007 -3.992 1.805 1.00 0.44 C ATOM 2950 CG LEU B 96 7.829 -5.091 2.852 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.305 -4.607 4.210 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.375 -5.536 2.924 1.00 0.70 C ATOM 0 H LEU B 96 10.654 -4.414 0.786 1.00 0.41 H new ATOM 0 HA LEU B 96 7.918 -5.205 0.033 1.00 0.40 H new ATOM 0 HB2 LEU B 96 8.661 -3.223 2.216 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.039 -3.524 1.624 1.00 0.44 H new ATOM 0 HG LEU B 96 8.433 -5.949 2.557 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.172 -5.400 4.946 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.360 -4.339 4.152 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.725 -3.734 4.509 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.271 -6.319 3.675 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.748 -4.687 3.195 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.064 -5.921 1.953 1.00 0.70 H new ATOM 2964 N THR B 97 7.519 -2.784 -0.910 1.00 0.39 N ATOM 2965 CA THR B 97 7.447 -1.667 -1.839 1.00 0.39 C ATOM 2966 C THR B 97 7.166 -0.353 -1.114 1.00 0.37 C ATOM 2967 O THR B 97 6.338 -0.305 -0.201 1.00 0.46 O ATOM 2968 CB THR B 97 6.330 -1.901 -2.872 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.104 -2.175 -2.187 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.660 -3.061 -3.798 1.00 0.78 C ATOM 0 H THR B 97 6.610 -3.140 -0.614 1.00 0.39 H new ATOM 0 HA THR B 97 8.414 -1.600 -2.337 1.00 0.39 H new ATOM 0 HB THR B 97 6.234 -1.001 -3.479 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.546 -2.763 -2.738 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.849 -3.197 -4.514 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.585 -2.847 -4.334 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.783 -3.971 -3.211 1.00 0.78 H new ATOM 2978 N VAL B 98 7.856 0.706 -1.526 1.00 0.33 N ATOM 2979 CA VAL B 98 7.669 2.025 -0.940 1.00 0.31 C ATOM 2980 C VAL B 98 7.264 3.027 -2.019 1.00 0.30 C ATOM 2981 O VAL B 98 7.539 2.821 -3.201 1.00 0.36 O ATOM 2982 CB VAL B 98 8.939 2.528 -0.219 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.193 1.720 1.046 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.148 2.477 -1.147 1.00 0.34 C ATOM 0 H VAL B 98 8.554 0.673 -2.269 1.00 0.33 H new ATOM 0 HA VAL B 98 6.876 1.938 -0.197 1.00 0.31 H new ATOM 0 HB VAL B 98 8.778 3.568 0.067 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.092 2.090 1.539 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.342 1.821 1.719 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.327 0.670 0.786 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.030 2.836 -0.616 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.314 1.450 -1.472 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.966 3.108 -2.017 1.00 0.34 H new ATOM 2994 N HIS B 99 6.613 4.110 -1.616 1.00 0.29 N ATOM 2995 CA HIS B 99 6.168 5.125 -2.568 1.00 0.31 C ATOM 2996 C HIS B 99 7.060 6.355 -2.516 1.00 0.30 C ATOM 2997 O HIS B 99 7.429 6.812 -1.443 1.00 0.47 O ATOM 2998 CB HIS B 99 4.725 5.533 -2.273 1.00 0.38 C ATOM 2999 CG HIS B 99 3.939 5.867 -3.499 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.086 4.971 -4.091 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.873 7.001 -4.245 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.536 5.524 -5.151 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.990 6.751 -5.265 1.00 0.81 N ATOM 0 H HIS B 99 6.381 4.310 -0.643 1.00 0.29 H new ATOM 0 HA HIS B 99 6.228 4.692 -3.566 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.228 4.722 -1.742 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.728 6.396 -1.607 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.906 4.023 -3.761 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.411 7.921 -4.069 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.830 5.049 -5.816 1.00 0.81 H new ATOM 3012 N LEU B 100 7.403 6.892 -3.676 1.00 0.31 N ATOM 3013 CA LEU B 100 8.240 8.078 -3.740 1.00 0.32 C ATOM 3014 C LEU B 100 7.381 9.336 -3.854 1.00 0.32 C ATOM 3015 O LEU B 100 6.532 9.438 -4.743 1.00 0.40 O ATOM 3016 CB LEU B 100 9.201 7.987 -4.928 1.00 0.37 C ATOM 3017 CG LEU B 100 10.362 8.981 -4.904 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.688 8.243 -5.013 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.217 9.997 -6.028 1.00 0.91 C ATOM 0 H LEU B 100 7.115 6.526 -4.584 1.00 0.31 H new ATOM 0 HA LEU B 100 8.822 8.137 -2.820 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.609 6.977 -4.968 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.633 8.138 -5.846 1.00 0.37 H new ATOM 0 HG LEU B 100 10.343 9.518 -3.956 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.507 8.962 -4.995 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.791 7.554 -4.175 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.717 7.683 -5.948 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.052 10.697 -5.996 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.214 9.480 -6.988 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.281 10.543 -5.907 1.00 0.91 H new ATOM 3031 N VAL B 101 7.591 10.273 -2.939 1.00 0.30 N ATOM 3032 CA VAL B 101 6.852 11.529 -2.932 1.00 0.32 C ATOM 3033 C VAL B 101 7.817 12.704 -2.792 1.00 0.33 C ATOM 3034 O VAL B 101 9.012 12.507 -2.558 1.00 0.38 O ATOM 3035 CB VAL B 101 5.806 11.590 -1.793 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.734 10.527 -1.981 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.470 11.446 -0.433 1.00 0.52 C ATOM 0 H VAL B 101 8.273 10.186 -2.186 1.00 0.30 H new ATOM 0 HA VAL B 101 6.318 11.590 -3.880 1.00 0.32 H new ATOM 0 HB VAL B 101 5.327 12.568 -1.834 1.00 0.39 H new ATOM 0 HG11 VAL B 101 4.011 10.591 -1.168 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.225 10.687 -2.932 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.196 9.540 -1.979 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.712 11.492 0.349 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.987 10.488 -0.380 1.00 0.52 H new ATOM 0 HG23 VAL B 101 7.188 12.254 -0.291 1.00 0.52 H new ATOM 3047 N ILE B 102 7.302 13.919 -2.936 1.00 0.36 N ATOM 3048 CA ILE B 102 8.131 15.116 -2.831 1.00 0.41 C ATOM 3049 C ILE B 102 7.554 16.100 -1.820 1.00 0.51 C ATOM 3050 O ILE B 102 7.951 17.266 -1.771 1.00 0.79 O ATOM 3051 CB ILE B 102 8.280 15.827 -4.196 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.903 16.080 -4.820 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.154 15.004 -5.133 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.951 16.882 -6.102 1.00 1.32 C ATOM 0 H ILE B 102 6.317 14.103 -3.125 1.00 0.36 H new ATOM 0 HA ILE B 102 9.114 14.786 -2.494 1.00 0.41 H new ATOM 0 HB ILE B 102 8.765 16.790 -4.035 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.423 15.122 -5.020 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.278 16.605 -4.097 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.248 15.519 -6.089 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.142 14.876 -4.691 1.00 0.76 H new ATOM 0 HG23 ILE B 102 8.698 14.027 -5.291 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.939 17.020 -6.483 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.400 17.855 -5.906 1.00 1.32 H new ATOM 0 HD13 ILE B 102 7.548 16.349 -6.842 1.00 1.32 H new ATOM 3066 N LYS B 103 6.626 15.620 -1.005 1.00 0.59 N ATOM 3067 CA LYS B 103 5.981 16.454 -0.002 1.00 0.76 C ATOM 3068 C LYS B 103 6.821 16.529 1.263 1.00 0.91 C ATOM 3069 O LYS B 103 7.051 15.478 1.890 1.00 1.07 O ATOM 3070 CB LYS B 103 4.587 15.913 0.327 1.00 0.86 C ATOM 3071 CG LYS B 103 3.574 16.121 -0.786 1.00 1.00 C ATOM 3072 CD LYS B 103 3.365 17.599 -1.080 1.00 1.15 C ATOM 3073 CE LYS B 103 2.269 17.818 -2.108 1.00 1.32 C ATOM 3074 NZ LYS B 103 2.177 19.243 -2.519 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.249 17.647 1.627 1.00 1.20 O ATOM 0 H LYS B 103 6.302 14.653 -1.019 1.00 0.59 H new ATOM 0 HA LYS B 103 5.883 17.459 -0.412 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.662 14.847 0.544 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.223 16.398 1.233 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.914 15.614 -1.689 1.00 1.00 H new ATOM 0 HG3 LYS B 103 2.624 15.667 -0.504 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.108 18.121 -0.158 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.297 18.033 -1.443 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.463 17.199 -2.984 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.313 17.496 -1.695 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.418 19.353 -3.221 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.967 19.831 -1.687 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 3.081 19.543 -2.936 1.00 1.74 H new TER 3089 LYS B 103