USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=43 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 31:sc= 0.162 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 38 LYS NZ :NH3+ -164:sc= 0.492 (180deg=-0.391!) USER MOD Set 2.2: B 97 THR OG1 : rot 180:sc=0.000891 USER MOD Set 3.1: A 121 CYS SG : rot 54:sc= 0.525 USER MOD Set 3.2: A 125 ASN : amide:sc= 1.47 K(o=2,f=-4.7!) USER MOD Set 4.1: A 88 CYS SG : rot -101:sc= 0.126 USER MOD Set 4.2: A 90 SER OG : rot 180:sc= 0.576 USER MOD Set 5.1: A 52 THR OG1 : rot 85:sc= 1.35 USER MOD Set 5.2: A 58 HIS : no HE2:sc= 1.15 K(o=2.5,f=-3.3!) 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= 2.45 (180deg=0.137) USER MOD Single : A 31 MET CE :methyl 175:sc= 0 (180deg=-0.0579) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -36:sc= 0.775 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0333 (180deg=-0.259) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -84:sc= 1.11 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 76:sc= 0.421 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 68 ASN : amide:sc= -0.019 K(o=-0.019,f=-1.3!) USER MOD Single : A 80 CYS SG : rot -73:sc= -1.64! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.22) USER MOD Single : A 94 TYR OH : rot -159:sc= 1.17 USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0.16 (180deg=0.158) USER MOD Single : A 99 LYS NZ :NH3+ -99:sc= 1.27 (180deg=0.726) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 128:sc= -0.146 (180deg=-0.559) USER MOD Single : A 109 MET CE :methyl 173:sc= -0.0204 (180deg=-0.0601) USER MOD Single : A 110 GLN : amide:sc= 0.951 K(o=0.95,f=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0869 USER MOD Single : A 116 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.12) USER MOD Single : A 120 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.33) 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= 0.947 K(o=0.95,f=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.126) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -17:sc= 1.12 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.256 K(o=-0.26,f=-7.1!) USER MOD Single : B 52 SER OG : rot -140:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 56 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.0064) USER MOD Single : B 58 LYS NZ :NH3+ -159:sc= 1.19 (180deg=1.04) USER MOD Single : B 63 LYS NZ :NH3+ 171:sc= -0.0134 (180deg=-0.117) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.6!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 79 LYS NZ :NH3+ 143:sc= -2.9! (180deg=-5.05!) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.13) USER MOD Single : B 90 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.0061) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : B 99 HIS : no HE2:sc= -1.67 K(o=-0.088,f=-8.8!) USER MOD Single : B 103 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.609 21.918 7.627 1.00 0.79 N ATOM 2 CA LYS A 21 -12.773 21.005 7.706 1.00 0.63 C ATOM 3 C LYS A 21 -12.422 19.662 7.080 1.00 0.53 C ATOM 4 O LYS A 21 -11.300 19.466 6.610 1.00 0.61 O ATOM 5 CB LYS A 21 -13.983 21.621 6.986 1.00 0.62 C ATOM 6 CG LYS A 21 -13.882 21.574 5.467 1.00 0.66 C ATOM 7 CD LYS A 21 -14.997 22.368 4.801 1.00 0.77 C ATOM 8 CE LYS A 21 -14.623 23.836 4.650 1.00 0.90 C ATOM 9 NZ LYS A 21 -15.599 24.579 3.810 1.00 1.10 N ATOM 0 HA LYS A 21 -13.030 20.853 8.754 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.886 21.096 7.297 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.093 22.658 7.302 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.916 21.971 5.155 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.924 20.538 5.132 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.212 21.943 3.820 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.909 22.283 5.392 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -14.568 24.299 5.635 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -13.631 23.913 4.206 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -15.305 25.574 3.734 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -15.634 24.155 2.861 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.542 24.529 4.246 1.00 1.10 H new ATOM 23 N TYR A 22 -13.369 18.734 7.093 1.00 0.49 N ATOM 24 CA TYR A 22 -13.152 17.423 6.506 1.00 0.49 C ATOM 25 C TYR A 22 -13.726 17.403 5.101 1.00 0.47 C ATOM 26 O TYR A 22 -14.698 18.105 4.811 1.00 0.57 O ATOM 27 CB TYR A 22 -13.808 16.314 7.340 1.00 0.56 C ATOM 28 CG TYR A 22 -13.688 16.495 8.839 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.494 16.897 9.427 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.775 16.254 9.663 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.390 17.051 10.797 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.683 16.407 11.031 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.489 16.805 11.594 1.00 0.65 C ATOM 34 OH TYR A 22 -13.394 16.955 12.959 1.00 0.75 O ATOM 0 H TYR A 22 -14.293 18.866 7.504 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.079 17.236 6.481 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.865 16.258 7.078 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.360 15.359 7.066 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.634 17.092 8.804 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.712 15.941 9.227 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.455 17.362 11.240 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.542 16.216 11.658 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.257 16.744 13.372 1.00 0.75 H new ATOM 44 N LEU A 23 -13.128 16.623 4.223 1.00 0.41 N ATOM 45 CA LEU A 23 -13.611 16.531 2.857 1.00 0.43 C ATOM 46 C LEU A 23 -14.726 15.495 2.772 1.00 0.43 C ATOM 47 O LEU A 23 -15.812 15.777 2.266 1.00 0.52 O ATOM 48 CB LEU A 23 -12.467 16.194 1.899 1.00 0.45 C ATOM 49 CG LEU A 23 -11.365 17.258 1.816 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.204 16.909 2.732 1.00 0.64 C ATOM 51 CD2 LEU A 23 -10.884 17.421 0.383 1.00 0.70 C ATOM 0 H LEU A 23 -12.312 16.046 4.427 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.015 17.498 2.558 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.019 15.250 2.208 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.880 16.040 0.902 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.786 18.207 2.148 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.436 17.678 2.655 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -10.558 16.851 3.761 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -9.785 15.947 2.437 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.103 18.180 0.346 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -10.486 16.472 0.023 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -11.718 17.728 -0.248 1.00 0.70 H new ATOM 63 N VAL A 24 -14.458 14.307 3.294 1.00 0.42 N ATOM 64 CA VAL A 24 -15.435 13.228 3.305 1.00 0.46 C ATOM 65 C VAL A 24 -15.521 12.633 4.706 1.00 0.43 C ATOM 66 O VAL A 24 -14.494 12.312 5.308 1.00 0.44 O ATOM 67 CB VAL A 24 -15.080 12.107 2.296 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.135 11.010 2.319 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.931 12.671 0.891 1.00 0.76 C ATOM 0 H VAL A 24 -13.563 14.065 3.719 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.395 13.652 3.009 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.125 11.674 2.594 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.867 10.233 1.604 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.191 10.580 3.319 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.104 11.431 2.051 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.682 11.866 0.200 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.868 13.135 0.584 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.136 13.417 0.881 1.00 0.76 H new ATOM 79 N GLU A 25 -16.734 12.513 5.231 1.00 0.45 N ATOM 80 CA GLU A 25 -16.948 11.945 6.557 1.00 0.45 C ATOM 81 C GLU A 25 -18.276 11.192 6.609 1.00 0.47 C ATOM 82 O GLU A 25 -19.289 11.673 6.102 1.00 0.55 O ATOM 83 CB GLU A 25 -16.920 13.039 7.635 1.00 0.49 C ATOM 84 CG GLU A 25 -17.738 14.272 7.293 1.00 0.56 C ATOM 85 CD GLU A 25 -18.650 14.696 8.428 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.147 14.959 9.542 1.00 0.95 O ATOM 87 OE2 GLU A 25 -19.880 14.771 8.207 1.00 0.96 O ATOM 0 H GLU A 25 -17.589 12.803 4.756 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.137 11.244 6.757 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.289 12.620 8.571 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -15.886 13.339 7.806 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.065 15.093 7.045 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.337 14.072 6.405 1.00 0.56 H new ATOM 94 N PHE A 26 -18.259 10.002 7.201 1.00 0.43 N ATOM 95 CA PHE A 26 -19.467 9.191 7.327 1.00 0.46 C ATOM 96 C PHE A 26 -19.379 8.285 8.551 1.00 0.45 C ATOM 97 O PHE A 26 -18.300 8.091 9.117 1.00 0.44 O ATOM 98 CB PHE A 26 -19.715 8.355 6.062 1.00 0.47 C ATOM 99 CG PHE A 26 -18.520 7.579 5.570 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.173 6.367 6.147 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.754 8.061 4.522 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.085 5.651 5.684 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.666 7.350 4.057 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.329 6.144 4.640 1.00 0.51 C ATOM 0 H PHE A 26 -17.423 9.577 7.601 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.310 9.870 7.452 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.528 7.656 6.260 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.052 9.019 5.266 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.759 5.978 6.967 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -18.011 9.004 4.063 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -16.827 4.706 6.139 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -16.078 7.737 3.237 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.476 5.588 4.280 1.00 0.51 H new ATOM 114 N ARG A 27 -20.513 7.731 8.953 1.00 0.47 N ATOM 115 CA ARG A 27 -20.563 6.851 10.109 1.00 0.47 C ATOM 116 C ARG A 27 -20.241 5.418 9.711 1.00 0.45 C ATOM 117 O ARG A 27 -20.965 4.798 8.929 1.00 0.46 O ATOM 118 CB ARG A 27 -21.942 6.917 10.760 1.00 0.51 C ATOM 119 CG ARG A 27 -22.264 8.273 11.360 1.00 0.55 C ATOM 120 CD ARG A 27 -23.756 8.547 11.350 1.00 0.61 C ATOM 121 NE ARG A 27 -24.269 8.729 9.991 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.253 9.569 9.668 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.844 10.301 10.606 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.661 9.654 8.407 1.00 0.77 N ATOM 0 H ARG A 27 -21.412 7.876 8.494 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.814 7.185 10.827 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.699 6.669 10.016 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -22.003 6.159 11.541 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.892 8.316 12.384 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.747 9.052 10.800 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -24.280 7.719 11.828 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.965 9.440 11.939 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.847 8.178 9.244 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.545 10.222 11.578 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.596 10.942 10.354 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.222 9.078 7.689 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.413 10.295 8.157 1.00 0.77 H new ATOM 138 N ALA A 28 -19.151 4.899 10.255 1.00 0.44 N ATOM 139 CA ALA A 28 -18.721 3.545 9.966 1.00 0.43 C ATOM 140 C ALA A 28 -17.877 2.999 11.107 1.00 0.42 C ATOM 141 O ALA A 28 -17.114 3.733 11.741 1.00 0.44 O ATOM 142 CB ALA A 28 -17.946 3.497 8.657 1.00 0.42 C ATOM 0 H ALA A 28 -18.546 5.402 10.904 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.607 2.918 9.863 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.632 2.472 8.458 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.583 3.846 7.844 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -17.068 4.138 8.731 1.00 0.42 H new ATOM 148 N GLY A 29 -18.033 1.718 11.375 1.00 0.43 N ATOM 149 CA GLY A 29 -17.276 1.085 12.431 1.00 0.43 C ATOM 150 C GLY A 29 -16.058 0.385 11.877 1.00 0.41 C ATOM 151 O GLY A 29 -16.015 0.070 10.689 1.00 0.46 O ATOM 0 H GLY A 29 -18.674 1.100 10.878 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.969 1.833 13.162 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.906 0.366 12.955 1.00 0.43 H new ATOM 155 N LYS A 30 -15.072 0.138 12.720 1.00 0.42 N ATOM 156 CA LYS A 30 -13.856 -0.521 12.273 1.00 0.42 C ATOM 157 C LYS A 30 -13.777 -1.942 12.813 1.00 0.41 C ATOM 158 O LYS A 30 -14.647 -2.384 13.567 1.00 0.45 O ATOM 159 CB LYS A 30 -12.620 0.282 12.697 1.00 0.48 C ATOM 160 CG LYS A 30 -12.331 0.246 14.188 1.00 0.54 C ATOM 161 CD LYS A 30 -10.958 0.824 14.488 1.00 0.67 C ATOM 162 CE LYS A 30 -10.647 0.790 15.973 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.365 1.475 16.286 1.00 0.60 N ATOM 0 H LYS A 30 -15.087 0.381 13.711 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.881 -0.571 11.184 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.751 -0.101 12.161 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.752 1.319 12.390 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.093 0.812 14.724 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.384 -0.781 14.548 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -10.199 0.261 13.944 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -10.910 1.852 14.130 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -11.457 1.266 16.525 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -10.597 -0.245 16.310 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -9.387 1.821 17.266 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.577 0.806 16.173 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.233 2.278 15.638 1.00 0.60 H new ATOM 177 N MET A 31 -12.746 -2.662 12.400 1.00 0.43 N ATOM 178 CA MET A 31 -12.533 -4.030 12.842 1.00 0.44 C ATOM 179 C MET A 31 -11.083 -4.210 13.259 1.00 0.46 C ATOM 180 O MET A 31 -10.173 -3.856 12.513 1.00 0.55 O ATOM 181 CB MET A 31 -12.881 -5.031 11.731 1.00 0.46 C ATOM 182 CG MET A 31 -14.231 -4.790 11.074 1.00 0.47 C ATOM 183 SD MET A 31 -14.862 -6.250 10.223 1.00 0.54 S ATOM 184 CE MET A 31 -16.399 -5.615 9.561 1.00 0.61 C ATOM 0 H MET A 31 -12.037 -2.317 11.753 1.00 0.43 H new ATOM 0 HA MET A 31 -13.188 -4.223 13.691 1.00 0.44 H new ATOM 0 HB2 MET A 31 -12.105 -4.992 10.966 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.867 -6.038 12.148 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.949 -4.478 11.832 1.00 0.47 H new ATOM 0 HG3 MET A 31 -14.143 -3.969 10.362 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.865 -6.374 8.932 1.00 0.61 H new ATOM 0 HE2 MET A 31 -17.070 -5.360 10.381 1.00 0.61 H new ATOM 0 HE3 MET A 31 -16.198 -4.724 8.966 1.00 0.61 H new ATOM 194 N SER A 32 -10.868 -4.752 14.442 1.00 0.49 N ATOM 195 CA SER A 32 -9.523 -4.960 14.941 1.00 0.52 C ATOM 196 C SER A 32 -9.082 -6.405 14.735 1.00 0.52 C ATOM 197 O SER A 32 -9.884 -7.334 14.858 1.00 0.54 O ATOM 198 CB SER A 32 -9.456 -4.596 16.422 1.00 0.59 C ATOM 199 OG SER A 32 -9.862 -3.252 16.636 1.00 0.93 O ATOM 0 H SER A 32 -11.607 -5.056 15.075 1.00 0.49 H new ATOM 0 HA SER A 32 -8.845 -4.315 14.382 1.00 0.52 H new ATOM 0 HB2 SER A 32 -10.095 -5.268 16.994 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.439 -4.735 16.788 1.00 0.59 H new ATOM 0 HG SER A 32 -9.812 -3.044 17.592 1.00 0.93 H new ATOM 205 N LEU A 33 -7.813 -6.595 14.415 1.00 0.54 N ATOM 206 CA LEU A 33 -7.286 -7.928 14.207 1.00 0.56 C ATOM 207 C LEU A 33 -6.775 -8.495 15.521 1.00 0.58 C ATOM 208 O LEU A 33 -5.675 -8.165 15.966 1.00 0.63 O ATOM 209 CB LEU A 33 -6.166 -7.917 13.164 1.00 0.58 C ATOM 210 CG LEU A 33 -5.584 -9.291 12.826 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.594 -10.138 12.064 1.00 0.62 C ATOM 212 CD2 LEU A 33 -4.296 -9.142 12.031 1.00 0.67 C ATOM 0 H LEU A 33 -7.133 -5.844 14.295 1.00 0.54 H new ATOM 0 HA LEU A 33 -8.091 -8.561 13.834 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.547 -7.465 12.248 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.361 -7.277 13.524 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.355 -9.803 13.760 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -6.156 -11.110 11.836 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.486 -10.277 12.674 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.864 -9.635 11.136 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.895 -10.129 11.799 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.500 -8.606 11.104 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.568 -8.584 12.619 1.00 0.67 H new ATOM 224 N LYS A 34 -7.584 -9.321 16.152 1.00 0.59 N ATOM 225 CA LYS A 34 -7.205 -9.938 17.408 1.00 0.63 C ATOM 226 C LYS A 34 -6.546 -11.282 17.132 1.00 0.65 C ATOM 227 O LYS A 34 -7.223 -12.263 16.817 1.00 0.68 O ATOM 228 CB LYS A 34 -8.424 -10.095 18.321 1.00 0.66 C ATOM 229 CG LYS A 34 -9.093 -8.767 18.639 1.00 0.68 C ATOM 230 CD LYS A 34 -10.182 -8.914 19.692 1.00 0.76 C ATOM 231 CE LYS A 34 -10.878 -7.588 19.950 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.917 -7.683 21.012 1.00 1.01 N ATOM 0 H LYS A 34 -8.511 -9.582 15.815 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.490 -9.297 17.924 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.147 -10.757 17.844 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.117 -10.575 19.251 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.343 -8.058 18.990 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.523 -8.351 17.728 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.912 -9.653 19.363 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.747 -9.286 20.620 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.136 -6.843 20.238 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.339 -7.238 19.026 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.360 -6.752 21.148 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.641 -8.373 20.728 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.476 -7.990 21.902 1.00 1.01 H new ATOM 246 N GLY A 35 -5.219 -11.305 17.207 1.00 0.66 N ATOM 247 CA GLY A 35 -4.474 -12.521 16.946 1.00 0.70 C ATOM 248 C GLY A 35 -4.361 -12.787 15.458 1.00 0.70 C ATOM 249 O GLY A 35 -3.363 -12.441 14.826 1.00 0.75 O ATOM 0 H GLY A 35 -4.644 -10.497 17.446 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.477 -12.440 17.380 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.966 -13.363 17.432 1.00 0.70 H new ATOM 253 N THR A 36 -5.391 -13.402 14.903 1.00 0.68 N ATOM 254 CA THR A 36 -5.435 -13.702 13.481 1.00 0.70 C ATOM 255 C THR A 36 -6.886 -13.742 13.011 1.00 0.68 C ATOM 256 O THR A 36 -7.189 -14.151 11.886 1.00 0.72 O ATOM 257 CB THR A 36 -4.728 -15.041 13.166 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.706 -15.278 11.750 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.416 -16.207 13.864 1.00 0.77 C ATOM 0 H THR A 36 -6.216 -13.706 15.421 1.00 0.68 H new ATOM 0 HA THR A 36 -4.903 -12.915 12.946 1.00 0.70 H new ATOM 0 HB THR A 36 -3.706 -14.967 13.537 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.541 -14.954 11.351 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.896 -17.134 13.623 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.395 -16.049 14.942 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.450 -16.274 13.527 1.00 0.77 H new ATOM 267 N THR A 37 -7.779 -13.295 13.881 1.00 0.66 N ATOM 268 CA THR A 37 -9.198 -13.279 13.584 1.00 0.66 C ATOM 269 C THR A 37 -9.725 -11.844 13.552 1.00 0.61 C ATOM 270 O THR A 37 -9.590 -11.103 14.530 1.00 0.61 O ATOM 271 CB THR A 37 -9.981 -14.092 14.632 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.373 -15.382 14.799 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.436 -14.267 14.220 1.00 0.81 C ATOM 0 H THR A 37 -7.540 -12.936 14.805 1.00 0.66 H new ATOM 0 HA THR A 37 -9.341 -13.732 12.603 1.00 0.66 H new ATOM 0 HB THR A 37 -9.954 -13.544 15.574 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.873 -15.895 15.468 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.962 -14.845 14.980 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.906 -13.289 14.118 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.483 -14.793 13.267 1.00 0.81 H new ATOM 281 N VAL A 38 -10.297 -11.451 12.419 1.00 0.60 N ATOM 282 CA VAL A 38 -10.856 -10.116 12.270 1.00 0.57 C ATOM 283 C VAL A 38 -12.057 -9.957 13.194 1.00 0.57 C ATOM 284 O VAL A 38 -13.086 -10.611 13.017 1.00 0.64 O ATOM 285 CB VAL A 38 -11.278 -9.832 10.814 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.799 -8.413 10.675 1.00 0.59 C ATOM 287 CG2 VAL A 38 -10.118 -10.064 9.857 1.00 0.61 C ATOM 0 H VAL A 38 -10.385 -12.040 11.591 1.00 0.60 H new ATOM 0 HA VAL A 38 -10.082 -9.397 12.539 1.00 0.57 H new ATOM 0 HB VAL A 38 -12.079 -10.524 10.555 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -12.091 -8.232 9.641 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.663 -8.277 11.325 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -11.017 -7.709 10.959 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -10.441 -9.857 8.837 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -9.293 -9.401 10.118 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.788 -11.100 9.930 1.00 0.61 H new ATOM 297 N THR A 39 -11.912 -9.104 14.190 1.00 0.56 N ATOM 298 CA THR A 39 -12.971 -8.871 15.153 1.00 0.58 C ATOM 299 C THR A 39 -13.594 -7.492 14.960 1.00 0.55 C ATOM 300 O THR A 39 -12.969 -6.469 15.254 1.00 0.55 O ATOM 301 CB THR A 39 -12.430 -9.001 16.587 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.513 -10.108 16.655 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.565 -9.211 17.582 1.00 0.74 C ATOM 0 H THR A 39 -11.066 -8.558 14.354 1.00 0.56 H new ATOM 0 HA THR A 39 -13.742 -9.625 14.991 1.00 0.58 H new ATOM 0 HB THR A 39 -11.914 -8.077 16.848 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.648 -10.593 17.496 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.155 -9.300 18.588 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.246 -8.361 17.541 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.107 -10.123 17.329 1.00 0.74 H new ATOM 311 N PRO A 40 -14.829 -7.445 14.436 1.00 0.55 N ATOM 312 CA PRO A 40 -15.544 -6.189 14.207 1.00 0.54 C ATOM 313 C PRO A 40 -15.880 -5.473 15.507 1.00 0.56 C ATOM 314 O PRO A 40 -16.286 -6.103 16.490 1.00 0.63 O ATOM 315 CB PRO A 40 -16.832 -6.617 13.490 1.00 0.56 C ATOM 316 CG PRO A 40 -16.600 -8.019 13.041 1.00 0.65 C ATOM 317 CD PRO A 40 -15.622 -8.610 14.013 1.00 0.58 C ATOM 0 HA PRO A 40 -14.941 -5.485 13.633 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.690 -6.558 14.159 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -17.043 -5.965 12.643 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.532 -8.585 13.033 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.204 -8.043 12.026 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.126 -9.082 14.856 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.000 -9.373 13.546 1.00 0.58 H new ATOM 325 N ASP A 41 -15.690 -4.164 15.513 1.00 0.53 N ATOM 326 CA ASP A 41 -15.989 -3.350 16.678 1.00 0.56 C ATOM 327 C ASP A 41 -17.465 -2.959 16.638 1.00 0.58 C ATOM 328 O ASP A 41 -18.040 -2.803 15.557 1.00 0.66 O ATOM 329 CB ASP A 41 -15.096 -2.105 16.692 1.00 0.57 C ATOM 330 CG ASP A 41 -14.965 -1.475 18.065 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.992 -1.289 18.748 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.826 -1.152 18.466 1.00 0.68 O ATOM 0 H ASP A 41 -15.327 -3.640 14.717 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.791 -3.915 17.589 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -14.105 -2.374 16.327 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.502 -1.368 15.999 1.00 0.57 H new ATOM 337 N LYS A 42 -18.079 -2.815 17.801 1.00 0.61 N ATOM 338 CA LYS A 42 -19.494 -2.464 17.876 1.00 0.64 C ATOM 339 C LYS A 42 -19.681 -0.978 18.157 1.00 0.64 C ATOM 340 O LYS A 42 -20.806 -0.479 18.184 1.00 0.76 O ATOM 341 CB LYS A 42 -20.187 -3.282 18.966 1.00 0.71 C ATOM 342 CG LYS A 42 -19.797 -4.753 18.977 1.00 0.72 C ATOM 343 CD LYS A 42 -20.504 -5.508 20.090 1.00 0.84 C ATOM 344 CE LYS A 42 -19.829 -6.840 20.383 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.495 -6.659 21.020 1.00 1.08 N ATOM 0 H LYS A 42 -17.624 -2.935 18.706 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.943 -2.692 16.909 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.952 -2.847 19.937 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -21.266 -3.204 18.834 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -20.045 -5.203 18.016 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.718 -4.844 19.103 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.514 -4.899 20.994 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.543 -5.680 19.810 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.467 -7.434 21.038 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.715 -7.401 19.455 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.204 -7.548 21.475 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.797 -6.397 20.295 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.551 -5.906 21.735 1.00 1.08 H new ATOM 359 N ARG A 43 -18.577 -0.281 18.378 1.00 0.58 N ATOM 360 CA ARG A 43 -18.617 1.148 18.671 1.00 0.58 C ATOM 361 C ARG A 43 -19.066 1.959 17.465 1.00 0.55 C ATOM 362 O ARG A 43 -18.858 1.562 16.316 1.00 0.55 O ATOM 363 CB ARG A 43 -17.245 1.647 19.109 1.00 0.58 C ATOM 364 CG ARG A 43 -16.874 1.261 20.524 1.00 0.60 C ATOM 365 CD ARG A 43 -15.506 1.799 20.892 1.00 0.60 C ATOM 366 NE ARG A 43 -14.433 1.166 20.124 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.252 1.733 19.887 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.990 2.948 20.343 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.334 1.071 19.195 1.00 0.57 N ATOM 0 H ARG A 43 -17.639 -0.681 18.360 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.338 1.283 19.477 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.492 1.254 18.426 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.219 2.733 19.021 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.620 1.648 21.218 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.880 0.175 20.622 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.484 2.876 20.723 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.330 1.640 21.956 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.600 0.233 19.747 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.695 3.455 20.879 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.083 3.378 20.158 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.535 0.133 18.848 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.427 1.500 19.010 1.00 0.57 H new ATOM 383 N LYS A 44 -19.681 3.099 17.736 1.00 0.57 N ATOM 384 CA LYS A 44 -20.134 3.994 16.688 1.00 0.56 C ATOM 385 C LYS A 44 -19.001 4.952 16.343 1.00 0.53 C ATOM 386 O LYS A 44 -18.725 5.894 17.088 1.00 0.59 O ATOM 387 CB LYS A 44 -21.367 4.776 17.142 1.00 0.62 C ATOM 388 CG LYS A 44 -22.591 3.907 17.389 1.00 0.70 C ATOM 389 CD LYS A 44 -23.729 4.720 17.980 1.00 0.79 C ATOM 390 CE LYS A 44 -24.984 3.883 18.180 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.811 4.386 19.311 1.00 1.07 N ATOM 0 H LYS A 44 -19.878 3.427 18.682 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.411 3.413 15.808 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -21.126 5.316 18.058 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.610 5.523 16.386 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.913 3.453 16.452 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -22.332 3.093 18.066 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.417 5.139 18.936 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.954 5.560 17.322 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -25.576 3.892 17.265 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.703 2.847 18.368 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.657 3.790 19.415 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.255 4.354 20.189 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -26.100 5.367 19.120 1.00 1.07 H new ATOM 405 N GLY A 45 -18.340 4.704 15.225 1.00 0.52 N ATOM 406 CA GLY A 45 -17.230 5.541 14.834 1.00 0.51 C ATOM 407 C GLY A 45 -17.534 6.425 13.649 1.00 0.48 C ATOM 408 O GLY A 45 -18.574 6.280 13.001 1.00 0.50 O ATOM 0 H GLY A 45 -18.552 3.940 14.583 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.940 6.166 15.679 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.374 4.909 14.596 1.00 0.51 H new ATOM 412 N LEU A 46 -16.632 7.350 13.388 1.00 0.46 N ATOM 413 CA LEU A 46 -16.768 8.276 12.282 1.00 0.45 C ATOM 414 C LEU A 46 -15.507 8.257 11.432 1.00 0.41 C ATOM 415 O LEU A 46 -14.410 8.539 11.923 1.00 0.42 O ATOM 416 CB LEU A 46 -17.022 9.690 12.809 1.00 0.47 C ATOM 417 CG LEU A 46 -17.173 10.771 11.735 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.575 10.752 11.148 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.849 12.140 12.308 1.00 0.59 C ATOM 0 H LEU A 46 -15.783 7.481 13.938 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.615 7.971 11.668 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.926 9.676 13.417 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.199 9.968 13.468 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.466 10.559 10.933 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.661 11.528 10.387 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.768 9.778 10.697 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.303 10.936 11.938 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.962 12.896 11.531 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.530 12.361 13.130 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.823 12.147 12.675 1.00 0.59 H new ATOM 431 N VAL A 47 -15.663 7.908 10.169 1.00 0.40 N ATOM 432 CA VAL A 47 -14.544 7.858 9.250 1.00 0.39 C ATOM 433 C VAL A 47 -14.487 9.153 8.453 1.00 0.37 C ATOM 434 O VAL A 47 -15.406 9.451 7.686 1.00 0.40 O ATOM 435 CB VAL A 47 -14.665 6.668 8.273 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.518 6.672 7.275 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.705 5.349 9.029 1.00 0.43 C ATOM 0 H VAL A 47 -16.560 7.654 9.755 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.633 7.729 9.835 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.600 6.777 7.724 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.623 5.825 6.597 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.537 7.600 6.703 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.571 6.594 7.809 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.790 4.526 8.320 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.790 5.234 9.609 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.564 5.340 9.700 1.00 0.43 H new ATOM 447 N TYR A 48 -13.429 9.923 8.633 1.00 0.37 N ATOM 448 CA TYR A 48 -13.298 11.179 7.918 1.00 0.37 C ATOM 449 C TYR A 48 -11.893 11.362 7.362 1.00 0.34 C ATOM 450 O TYR A 48 -10.923 10.795 7.872 1.00 0.36 O ATOM 451 CB TYR A 48 -13.683 12.363 8.815 1.00 0.43 C ATOM 452 CG TYR A 48 -12.688 12.697 9.907 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.661 13.605 9.680 1.00 0.46 C ATOM 454 CD2 TYR A 48 -12.788 12.124 11.167 1.00 0.63 C ATOM 455 CE1 TYR A 48 -10.763 13.928 10.673 1.00 0.54 C ATOM 456 CE2 TYR A 48 -11.889 12.440 12.166 1.00 0.73 C ATOM 457 CZ TYR A 48 -10.880 13.344 11.915 1.00 0.64 C ATOM 458 OH TYR A 48 -9.988 13.672 12.909 1.00 0.78 O ATOM 0 H TYR A 48 -12.656 9.704 9.261 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.988 11.148 7.074 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.819 13.244 8.188 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.647 12.149 9.277 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -11.565 14.066 8.708 1.00 0.46 H new ATOM 0 HD2 TYR A 48 -13.582 11.420 11.369 1.00 0.63 H new ATOM 0 HE1 TYR A 48 -9.971 14.636 10.479 1.00 0.54 H new ATOM 0 HE2 TYR A 48 -11.976 11.981 13.140 1.00 0.73 H new ATOM 0 HH TYR A 48 -10.209 13.174 13.724 1.00 0.78 H new ATOM 468 N ILE A 49 -11.806 12.151 6.303 1.00 0.33 N ATOM 469 CA ILE A 49 -10.539 12.440 5.657 1.00 0.32 C ATOM 470 C ILE A 49 -10.287 13.943 5.656 1.00 0.30 C ATOM 471 O ILE A 49 -11.145 14.733 5.242 1.00 0.35 O ATOM 472 CB ILE A 49 -10.516 11.910 4.208 1.00 0.37 C ATOM 473 CG1 ILE A 49 -10.852 10.417 4.185 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.155 12.159 3.570 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.168 9.885 2.805 1.00 0.69 C ATOM 0 H ILE A 49 -12.609 12.607 5.870 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.752 11.936 6.219 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.269 12.446 3.630 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.011 9.858 4.596 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -11.705 10.236 4.839 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.157 11.779 2.548 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -8.949 13.229 3.558 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.384 11.647 4.146 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.396 8.821 2.869 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.028 10.417 2.398 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.308 10.033 2.152 1.00 0.69 H new ATOM 487 N GLN A 50 -9.115 14.331 6.128 1.00 0.30 N ATOM 488 CA GLN A 50 -8.738 15.729 6.201 1.00 0.33 C ATOM 489 C GLN A 50 -7.383 15.944 5.533 1.00 0.30 C ATOM 490 O GLN A 50 -6.539 15.045 5.516 1.00 0.36 O ATOM 491 CB GLN A 50 -8.691 16.172 7.670 1.00 0.42 C ATOM 492 CG GLN A 50 -8.453 17.659 7.875 1.00 0.51 C ATOM 493 CD GLN A 50 -8.368 18.030 9.343 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.950 17.229 10.179 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.755 19.251 9.669 1.00 0.86 N ATOM 0 H GLN A 50 -8.401 13.687 6.470 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.479 16.330 5.674 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.631 15.899 8.149 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.902 15.618 8.178 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.529 17.949 7.375 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.260 18.222 7.406 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.096 19.887 8.948 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.713 19.557 10.641 1.00 0.86 H new ATOM 504 N GLN A 51 -7.188 17.128 4.969 1.00 0.37 N ATOM 505 CA GLN A 51 -5.938 17.467 4.307 1.00 0.37 C ATOM 506 C GLN A 51 -5.230 18.567 5.085 1.00 0.39 C ATOM 507 O GLN A 51 -5.771 19.663 5.263 1.00 0.51 O ATOM 508 CB GLN A 51 -6.202 17.916 2.867 1.00 0.44 C ATOM 509 CG GLN A 51 -4.948 18.028 2.017 1.00 0.52 C ATOM 510 CD GLN A 51 -5.257 18.349 0.568 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.236 19.039 0.266 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.439 17.842 -0.338 1.00 0.93 N ATOM 0 H GLN A 51 -7.885 17.873 4.957 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.299 16.584 4.278 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.886 17.210 2.396 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.705 18.883 2.885 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.302 18.804 2.428 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.393 17.091 2.068 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.641 17.277 -0.046 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.605 18.016 -1.329 1.00 0.93 H new ATOM 521 N THR A 52 -4.037 18.272 5.567 1.00 0.38 N ATOM 522 CA THR A 52 -3.272 19.234 6.341 1.00 0.45 C ATOM 523 C THR A 52 -2.480 20.186 5.444 1.00 0.36 C ATOM 524 O THR A 52 -2.525 20.081 4.216 1.00 0.33 O ATOM 525 CB THR A 52 -2.322 18.515 7.312 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.125 17.161 6.882 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.890 18.529 8.720 1.00 0.80 C ATOM 0 H THR A 52 -3.575 17.372 5.436 1.00 0.38 H new ATOM 0 HA THR A 52 -3.985 19.828 6.912 1.00 0.45 H new ATOM 0 HB THR A 52 -1.365 19.038 7.317 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.409 17.131 6.214 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.204 18.016 9.394 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.019 19.560 9.050 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.855 18.022 8.728 1.00 0.80 H new ATOM 535 N ASP A 53 -1.753 21.107 6.071 1.00 0.40 N ATOM 536 CA ASP A 53 -0.954 22.103 5.352 1.00 0.41 C ATOM 537 C ASP A 53 0.177 21.456 4.560 1.00 0.39 C ATOM 538 O ASP A 53 0.698 22.036 3.607 1.00 0.52 O ATOM 539 CB ASP A 53 -0.371 23.115 6.336 1.00 0.52 C ATOM 540 CG ASP A 53 0.848 22.588 7.069 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.693 21.693 7.932 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.964 23.063 6.778 1.00 0.74 O ATOM 0 H ASP A 53 -1.699 21.186 7.086 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.615 22.608 4.648 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.101 24.024 5.798 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.135 23.390 7.063 1.00 0.52 H new ATOM 547 N ASP A 54 0.551 20.253 4.965 1.00 0.42 N ATOM 548 CA ASP A 54 1.609 19.506 4.299 1.00 0.55 C ATOM 549 C ASP A 54 1.067 18.838 3.041 1.00 0.45 C ATOM 550 O ASP A 54 1.798 18.161 2.319 1.00 0.52 O ATOM 551 CB ASP A 54 2.197 18.453 5.242 1.00 0.73 C ATOM 552 CG ASP A 54 1.133 17.715 6.032 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.060 17.419 5.465 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.357 17.446 7.229 1.00 1.10 O ATOM 0 H ASP A 54 0.134 19.768 5.759 1.00 0.42 H new ATOM 0 HA ASP A 54 2.400 20.201 4.018 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.776 17.735 4.662 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.888 18.936 5.933 1.00 0.73 H new ATOM 559 N SER A 55 -0.233 19.032 2.803 1.00 0.36 N ATOM 560 CA SER A 55 -0.921 18.478 1.643 1.00 0.40 C ATOM 561 C SER A 55 -0.991 16.953 1.709 1.00 0.37 C ATOM 562 O SER A 55 -1.221 16.287 0.697 1.00 0.52 O ATOM 563 CB SER A 55 -0.237 18.928 0.349 1.00 0.57 C ATOM 564 OG SER A 55 -0.012 20.329 0.354 1.00 0.66 O ATOM 0 H SER A 55 -0.837 19.581 3.415 1.00 0.36 H new ATOM 0 HA SER A 55 -1.943 18.858 1.650 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.712 18.404 0.234 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.856 18.658 -0.507 1.00 0.57 H new ATOM 0 HG SER A 55 0.427 20.593 -0.481 1.00 0.66 H new ATOM 570 N LEU A 56 -0.797 16.402 2.898 1.00 0.28 N ATOM 571 CA LEU A 56 -0.850 14.966 3.079 1.00 0.31 C ATOM 572 C LEU A 56 -2.268 14.530 3.425 1.00 0.27 C ATOM 573 O LEU A 56 -2.900 15.084 4.330 1.00 0.30 O ATOM 574 CB LEU A 56 0.122 14.534 4.175 1.00 0.38 C ATOM 575 CG LEU A 56 1.604 14.787 3.875 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.462 14.487 5.097 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.056 13.944 2.696 1.00 0.48 C ATOM 0 H LEU A 56 -0.602 16.930 3.749 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.557 14.485 2.146 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.139 15.056 5.096 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.017 13.469 4.362 1.00 0.38 H new ATOM 0 HG LEU A 56 1.725 15.840 3.621 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.510 14.674 4.861 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.156 15.129 5.923 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.335 13.443 5.383 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.110 14.135 2.495 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.916 12.888 2.929 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.467 14.203 1.816 1.00 0.48 H new ATOM 589 N ILE A 57 -2.766 13.544 2.694 1.00 0.27 N ATOM 590 CA ILE A 57 -4.112 13.026 2.910 1.00 0.26 C ATOM 591 C ILE A 57 -4.163 12.201 4.189 1.00 0.24 C ATOM 592 O ILE A 57 -3.513 11.165 4.294 1.00 0.29 O ATOM 593 CB ILE A 57 -4.571 12.149 1.723 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.429 12.910 0.400 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.007 11.679 1.920 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.227 14.194 0.336 1.00 0.57 C ATOM 0 H ILE A 57 -2.256 13.083 1.941 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.783 13.880 2.996 1.00 0.26 H new ATOM 0 HB ILE A 57 -3.928 11.270 1.683 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.376 13.141 0.237 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.742 12.259 -0.416 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.308 11.064 1.072 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.075 11.093 2.836 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.666 12.544 1.993 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.072 14.671 -0.632 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.286 13.971 0.465 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -4.899 14.866 1.129 1.00 0.57 H new ATOM 608 N HIS A 58 -4.926 12.659 5.165 1.00 0.25 N ATOM 609 CA HIS A 58 -5.032 11.945 6.426 1.00 0.27 C ATOM 610 C HIS A 58 -6.348 11.188 6.534 1.00 0.27 C ATOM 611 O HIS A 58 -7.428 11.764 6.424 1.00 0.33 O ATOM 612 CB HIS A 58 -4.885 12.902 7.611 1.00 0.32 C ATOM 613 CG HIS A 58 -3.467 13.092 8.062 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.932 12.466 9.172 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.471 13.855 7.550 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.673 12.839 9.320 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.371 13.677 8.349 1.00 0.59 N ATOM 0 H HIS A 58 -5.478 13.515 5.111 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.218 11.220 6.452 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.303 13.871 7.338 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.475 12.525 8.446 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.431 11.818 9.781 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.532 14.486 6.676 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.005 12.513 10.103 1.00 0.61 H new ATOM 626 N PHE A 59 -6.232 9.889 6.737 1.00 0.27 N ATOM 627 CA PHE A 59 -7.377 9.008 6.902 1.00 0.28 C ATOM 628 C PHE A 59 -7.466 8.638 8.374 1.00 0.31 C ATOM 629 O PHE A 59 -6.601 7.924 8.890 1.00 0.36 O ATOM 630 CB PHE A 59 -7.201 7.760 6.029 1.00 0.31 C ATOM 631 CG PHE A 59 -8.238 6.697 6.242 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.536 6.879 5.798 1.00 0.69 C ATOM 633 CD2 PHE A 59 -7.910 5.510 6.876 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.490 5.900 5.989 1.00 0.92 C ATOM 635 CE2 PHE A 59 -8.859 4.528 7.070 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.152 4.721 6.623 1.00 0.94 C ATOM 0 H PHE A 59 -5.333 9.410 6.793 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.298 9.501 6.591 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.218 8.060 4.981 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.217 7.333 6.223 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.805 7.797 5.297 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -6.899 5.352 7.222 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.501 6.056 5.643 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -8.592 3.609 7.571 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.896 3.952 6.769 1.00 0.94 H new ATOM 646 N CYS A 60 -8.484 9.128 9.064 1.00 0.33 N ATOM 647 CA CYS A 60 -8.597 8.865 10.485 1.00 0.38 C ATOM 648 C CYS A 60 -9.978 8.363 10.897 1.00 0.38 C ATOM 649 O CYS A 60 -10.994 8.697 10.281 1.00 0.40 O ATOM 650 CB CYS A 60 -8.264 10.137 11.269 1.00 0.43 C ATOM 651 SG CYS A 60 -6.972 11.157 10.519 1.00 0.46 S ATOM 0 H CYS A 60 -9.231 9.700 8.669 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.888 8.070 10.716 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.170 10.735 11.370 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.952 9.858 12.276 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.804 10.706 10.870 1.00 0.46 H new ATOM 657 N TRP A 61 -9.986 7.550 11.945 1.00 0.39 N ATOM 658 CA TRP A 61 -11.208 7.007 12.513 1.00 0.39 C ATOM 659 C TRP A 61 -11.390 7.607 13.900 1.00 0.42 C ATOM 660 O TRP A 61 -10.515 7.471 14.762 1.00 0.45 O ATOM 661 CB TRP A 61 -11.145 5.479 12.590 1.00 0.40 C ATOM 662 CG TRP A 61 -12.421 4.851 13.076 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.527 4.571 12.328 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.719 4.429 14.412 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.497 4.004 13.116 1.00 0.45 N ATOM 666 CE2 TRP A 61 -14.027 3.903 14.400 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.016 4.441 15.616 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.637 3.399 15.543 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.622 3.941 16.751 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.923 3.424 16.709 1.00 0.52 C ATOM 0 H TRP A 61 -9.139 7.248 12.426 1.00 0.39 H new ATOM 0 HA TRP A 61 -12.056 7.263 11.878 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.907 5.083 11.603 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.331 5.190 13.254 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.625 4.767 11.270 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.419 3.706 12.798 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.012 4.836 15.660 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.641 3.001 15.511 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.084 3.949 17.687 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.370 3.038 17.613 1.00 0.52 H new ATOM 681 N LYS A 62 -12.506 8.277 14.111 1.00 0.46 N ATOM 682 CA LYS A 62 -12.761 8.927 15.384 1.00 0.50 C ATOM 683 C LYS A 62 -13.905 8.273 16.146 1.00 0.51 C ATOM 684 O LYS A 62 -14.962 7.977 15.583 1.00 0.51 O ATOM 685 CB LYS A 62 -13.058 10.407 15.139 1.00 0.57 C ATOM 686 CG LYS A 62 -13.335 11.220 16.391 1.00 0.63 C ATOM 687 CD LYS A 62 -13.391 12.700 16.059 1.00 0.75 C ATOM 688 CE LYS A 62 -13.952 13.524 17.205 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.098 14.960 16.838 1.00 1.04 N ATOM 0 H LYS A 62 -13.249 8.386 13.421 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.871 8.822 16.004 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.211 10.851 14.616 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.919 10.485 14.475 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.279 10.905 16.836 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.557 11.036 17.131 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.389 13.054 15.815 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.006 12.849 15.172 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.923 13.124 17.498 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.296 13.436 18.071 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.484 15.488 17.647 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.168 15.349 16.582 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.744 15.047 16.028 1.00 1.04 H new ATOM 703 N ASP A 63 -13.671 8.040 17.431 1.00 0.53 N ATOM 704 CA ASP A 63 -14.673 7.456 18.315 1.00 0.55 C ATOM 705 C ASP A 63 -15.707 8.529 18.653 1.00 0.57 C ATOM 706 O ASP A 63 -15.348 9.613 19.104 1.00 0.62 O ATOM 707 CB ASP A 63 -13.995 6.930 19.589 1.00 0.61 C ATOM 708 CG ASP A 63 -14.916 6.115 20.483 1.00 0.65 C ATOM 709 OD1 ASP A 63 -16.095 6.486 20.636 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.447 5.104 21.064 1.00 1.09 O ATOM 0 H ASP A 63 -12.784 8.250 17.889 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.171 6.619 17.826 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.140 6.315 19.307 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.606 7.775 20.158 1.00 0.61 H new ATOM 715 N ARG A 64 -16.980 8.236 18.432 1.00 0.58 N ATOM 716 CA ARG A 64 -18.034 9.215 18.688 1.00 0.61 C ATOM 717 C ARG A 64 -18.451 9.260 20.156 1.00 0.66 C ATOM 718 O ARG A 64 -19.212 10.140 20.564 1.00 0.75 O ATOM 719 CB ARG A 64 -19.250 8.931 17.802 1.00 0.63 C ATOM 720 CG ARG A 64 -19.038 9.336 16.349 1.00 0.63 C ATOM 721 CD ARG A 64 -19.961 8.575 15.407 1.00 0.65 C ATOM 722 NE ARG A 64 -21.367 8.935 15.587 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.384 8.158 15.211 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.150 6.986 14.638 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.634 8.554 15.405 1.00 1.14 N ATOM 0 H ARG A 64 -17.310 7.337 18.079 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.624 10.194 18.442 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.484 7.867 17.846 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.114 9.464 18.199 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -19.212 10.407 16.241 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.001 9.152 16.068 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.667 8.775 14.376 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -19.840 7.504 15.571 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.582 9.831 16.025 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.190 6.676 14.484 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -22.929 6.394 14.351 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.821 9.456 15.843 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.409 7.957 15.116 1.00 1.14 H new ATOM 739 N THR A 65 -17.949 8.331 20.954 1.00 0.68 N ATOM 740 CA THR A 65 -18.292 8.287 22.369 1.00 0.74 C ATOM 741 C THR A 65 -17.296 9.093 23.201 1.00 0.75 C ATOM 742 O THR A 65 -17.670 9.739 24.182 1.00 0.83 O ATOM 743 CB THR A 65 -18.323 6.837 22.894 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.694 5.945 21.835 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.303 6.696 24.048 1.00 0.93 C ATOM 0 H THR A 65 -17.306 7.600 20.649 1.00 0.68 H new ATOM 0 HA THR A 65 -19.285 8.725 22.468 1.00 0.74 H new ATOM 0 HB THR A 65 -17.326 6.583 23.255 1.00 0.76 H new ATOM 0 HG1 THR A 65 -17.931 5.815 21.234 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.305 5.664 24.399 1.00 0.93 H new ATOM 0 HG22 THR A 65 -19.004 7.356 24.862 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.304 6.967 23.711 1.00 0.93 H new ATOM 753 N SER A 66 -16.029 9.044 22.809 1.00 0.71 N ATOM 754 CA SER A 66 -14.979 9.759 23.524 1.00 0.75 C ATOM 755 C SER A 66 -14.495 10.977 22.742 1.00 0.73 C ATOM 756 O SER A 66 -14.073 11.975 23.328 1.00 0.79 O ATOM 757 CB SER A 66 -13.807 8.815 23.796 1.00 0.75 C ATOM 758 OG SER A 66 -13.456 8.087 22.630 1.00 0.75 O ATOM 0 H SER A 66 -15.703 8.516 21.999 1.00 0.71 H new ATOM 0 HA SER A 66 -15.394 10.113 24.467 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.947 9.388 24.143 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.072 8.122 24.595 1.00 0.75 H new ATOM 0 HG SER A 66 -12.703 7.492 22.830 1.00 0.75 H new ATOM 764 N GLY A 67 -14.562 10.893 21.421 1.00 0.67 N ATOM 765 CA GLY A 67 -14.107 11.983 20.586 1.00 0.67 C ATOM 766 C GLY A 67 -12.620 11.901 20.328 1.00 0.65 C ATOM 767 O GLY A 67 -11.979 12.902 20.005 1.00 0.70 O ATOM 0 H GLY A 67 -14.925 10.087 20.913 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.643 11.964 19.637 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.342 12.933 21.066 1.00 0.67 H new ATOM 771 N ASN A 68 -12.070 10.704 20.469 1.00 0.63 N ATOM 772 CA ASN A 68 -10.646 10.490 20.260 1.00 0.63 C ATOM 773 C ASN A 68 -10.387 9.859 18.901 1.00 0.58 C ATOM 774 O ASN A 68 -11.196 9.072 18.405 1.00 0.58 O ATOM 775 CB ASN A 68 -10.067 9.588 21.353 1.00 0.68 C ATOM 776 CG ASN A 68 -9.889 10.295 22.680 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.757 11.518 22.742 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.871 9.527 23.756 1.00 1.01 N ATOM 0 H ASN A 68 -12.589 9.865 20.728 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.157 11.464 20.301 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.724 8.729 21.492 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.103 9.202 21.023 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.744 9.944 24.678 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.984 8.517 23.664 1.00 1.01 H new ATOM 785 N VAL A 69 -9.257 10.206 18.306 1.00 0.56 N ATOM 786 CA VAL A 69 -8.872 9.664 17.011 1.00 0.53 C ATOM 787 C VAL A 69 -7.894 8.513 17.212 1.00 0.51 C ATOM 788 O VAL A 69 -6.708 8.732 17.474 1.00 0.59 O ATOM 789 CB VAL A 69 -8.228 10.745 16.116 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.815 10.166 14.772 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.182 11.911 15.920 1.00 0.63 C ATOM 0 H VAL A 69 -8.586 10.865 18.702 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.771 9.305 16.511 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.331 11.108 16.618 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.364 10.949 14.162 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.092 9.365 14.927 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.692 9.768 14.262 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.712 12.663 15.287 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -10.097 11.557 15.445 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.423 12.351 16.888 1.00 0.63 H new ATOM 801 N GLU A 70 -8.396 7.290 17.103 1.00 0.49 N ATOM 802 CA GLU A 70 -7.571 6.104 17.297 1.00 0.51 C ATOM 803 C GLU A 70 -6.700 5.835 16.082 1.00 0.50 C ATOM 804 O GLU A 70 -5.474 5.757 16.186 1.00 0.62 O ATOM 805 CB GLU A 70 -8.449 4.882 17.577 1.00 0.55 C ATOM 806 CG GLU A 70 -9.453 5.096 18.695 1.00 0.81 C ATOM 807 CD GLU A 70 -9.984 3.796 19.264 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.902 2.752 18.578 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.491 3.809 20.406 1.00 0.71 O ATOM 0 H GLU A 70 -9.372 7.093 16.881 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.924 6.289 18.154 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.984 4.614 16.666 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.810 4.037 17.832 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.984 5.672 19.493 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.286 5.690 18.320 1.00 0.81 H new ATOM 816 N ASP A 71 -7.335 5.690 14.935 1.00 0.47 N ATOM 817 CA ASP A 71 -6.619 5.419 13.701 1.00 0.46 C ATOM 818 C ASP A 71 -6.371 6.710 12.942 1.00 0.43 C ATOM 819 O ASP A 71 -7.288 7.503 12.746 1.00 0.46 O ATOM 820 CB ASP A 71 -7.402 4.438 12.826 1.00 0.51 C ATOM 821 CG ASP A 71 -7.673 3.125 13.529 1.00 0.57 C ATOM 822 OD1 ASP A 71 -8.633 3.060 14.326 1.00 0.61 O ATOM 823 OD2 ASP A 71 -6.924 2.150 13.300 1.00 0.73 O ATOM 0 H ASP A 71 -8.348 5.755 14.831 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.660 4.968 13.954 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.349 4.892 12.534 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.843 4.248 11.910 1.00 0.51 H new ATOM 828 N ASP A 72 -5.129 6.920 12.535 1.00 0.43 N ATOM 829 CA ASP A 72 -4.742 8.111 11.789 1.00 0.42 C ATOM 830 C ASP A 72 -3.576 7.774 10.872 1.00 0.42 C ATOM 831 O ASP A 72 -2.436 7.656 11.319 1.00 0.52 O ATOM 832 CB ASP A 72 -4.357 9.247 12.748 1.00 0.48 C ATOM 833 CG ASP A 72 -3.563 10.353 12.077 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.068 10.967 11.110 1.00 1.05 O ATOM 835 OD2 ASP A 72 -2.427 10.625 12.527 1.00 0.99 O ATOM 0 H ASP A 72 -4.361 6.272 12.711 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.588 8.447 11.189 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.263 9.671 13.181 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.772 8.836 13.571 1.00 0.48 H new ATOM 840 N LEU A 73 -3.866 7.583 9.597 1.00 0.36 N ATOM 841 CA LEU A 73 -2.830 7.241 8.636 1.00 0.38 C ATOM 842 C LEU A 73 -2.780 8.256 7.507 1.00 0.34 C ATOM 843 O LEU A 73 -3.731 9.004 7.285 1.00 0.42 O ATOM 844 CB LEU A 73 -3.082 5.844 8.059 1.00 0.44 C ATOM 845 CG LEU A 73 -3.248 4.724 9.089 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.649 3.432 8.401 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.963 4.531 9.886 1.00 0.92 C ATOM 0 H LEU A 73 -4.804 7.658 9.204 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.872 7.250 9.157 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.980 5.882 7.442 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.253 5.587 7.400 1.00 0.44 H new ATOM 0 HG LEU A 73 -4.039 5.007 9.783 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.764 2.644 9.145 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.594 3.577 7.877 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.878 3.146 7.686 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -2.102 3.730 10.613 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -1.150 4.269 9.208 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.716 5.456 10.408 1.00 0.92 H new ATOM 859 N ILE A 74 -1.662 8.277 6.802 1.00 0.29 N ATOM 860 CA ILE A 74 -1.480 9.179 5.678 1.00 0.28 C ATOM 861 C ILE A 74 -1.614 8.395 4.382 1.00 0.30 C ATOM 862 O ILE A 74 -0.794 7.536 4.086 1.00 0.51 O ATOM 863 CB ILE A 74 -0.104 9.872 5.723 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.226 10.325 7.149 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.089 11.058 4.772 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.654 10.804 7.322 1.00 0.59 C ATOM 0 H ILE A 74 -0.861 7.675 6.990 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.245 9.953 5.734 1.00 0.28 H new ATOM 0 HB ILE A 74 0.657 9.158 5.408 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.454 11.129 7.432 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.044 9.497 7.835 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.887 11.542 4.810 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.284 10.713 3.757 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.859 11.771 5.067 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.813 11.108 8.357 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.342 9.996 7.071 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.836 11.653 6.662 1.00 0.59 H new ATOM 878 N ILE A 75 -2.651 8.682 3.619 1.00 0.24 N ATOM 879 CA ILE A 75 -2.895 7.972 2.372 1.00 0.23 C ATOM 880 C ILE A 75 -2.134 8.593 1.207 1.00 0.24 C ATOM 881 O ILE A 75 -2.034 9.816 1.089 1.00 0.26 O ATOM 882 CB ILE A 75 -4.401 7.927 2.035 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.198 7.351 3.210 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.640 7.105 0.777 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.780 5.948 3.611 1.00 0.31 C ATOM 0 H ILE A 75 -3.340 9.402 3.838 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.533 6.955 2.520 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.743 8.946 1.853 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.087 8.012 4.070 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.256 7.343 2.949 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.707 7.083 0.554 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.103 7.554 -0.059 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.282 6.088 0.934 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.391 5.612 4.449 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.918 5.272 2.767 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.731 5.951 3.905 1.00 0.31 H new ATOM 897 N PHE A 76 -1.596 7.730 0.355 1.00 0.27 N ATOM 898 CA PHE A 76 -0.849 8.155 -0.813 1.00 0.31 C ATOM 899 C PHE A 76 -1.384 7.438 -2.046 1.00 0.32 C ATOM 900 O PHE A 76 -1.767 6.269 -1.966 1.00 0.35 O ATOM 901 CB PHE A 76 0.639 7.848 -0.644 1.00 0.34 C ATOM 902 CG PHE A 76 1.240 8.412 0.612 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.635 9.738 0.671 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.418 7.612 1.726 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.201 10.253 1.823 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.980 8.121 2.879 1.00 0.50 C ATOM 907 CZ PHE A 76 2.373 9.443 2.926 1.00 0.58 C ATOM 0 H PHE A 76 -1.667 6.718 0.457 1.00 0.27 H new ATOM 0 HA PHE A 76 -0.969 9.232 -0.932 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.779 6.767 -0.648 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.181 8.243 -1.503 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.500 10.376 -0.190 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.113 6.576 1.693 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.508 11.288 1.859 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.112 7.486 3.743 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.815 9.843 3.826 1.00 0.58 H new ATOM 917 N PRO A 77 -1.436 8.130 -3.193 1.00 0.36 N ATOM 918 CA PRO A 77 -1.926 7.549 -4.446 1.00 0.38 C ATOM 919 C PRO A 77 -1.050 6.403 -4.951 1.00 0.33 C ATOM 920 O PRO A 77 0.049 6.169 -4.439 1.00 0.33 O ATOM 921 CB PRO A 77 -1.881 8.719 -5.438 1.00 0.45 C ATOM 922 CG PRO A 77 -1.761 9.948 -4.609 1.00 0.55 C ATOM 923 CD PRO A 77 -1.035 9.537 -3.363 1.00 0.44 C ATOM 0 HA PRO A 77 -2.918 7.116 -4.317 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.035 8.622 -6.119 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.782 8.747 -6.051 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.213 10.726 -5.141 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.744 10.356 -4.372 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.045 9.638 -3.473 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.326 10.146 -2.507 1.00 0.44 H new ATOM 931 N ASP A 78 -1.558 5.706 -5.972 1.00 0.40 N ATOM 932 CA ASP A 78 -0.873 4.567 -6.612 1.00 0.46 C ATOM 933 C ASP A 78 -0.454 3.508 -5.595 1.00 0.45 C ATOM 934 O ASP A 78 0.466 2.731 -5.855 1.00 0.60 O ATOM 935 CB ASP A 78 0.364 5.008 -7.437 1.00 0.53 C ATOM 936 CG ASP A 78 0.480 6.503 -7.656 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.288 7.052 -8.476 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.358 7.137 -7.020 1.00 1.36 O ATOM 0 H ASP A 78 -2.467 5.915 -6.386 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.603 4.131 -7.294 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.264 4.658 -6.932 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.331 4.514 -8.408 1.00 0.53 H new ATOM 943 N ASP A 79 -1.131 3.452 -4.450 1.00 0.53 N ATOM 944 CA ASP A 79 -0.786 2.471 -3.420 1.00 0.61 C ATOM 945 C ASP A 79 -1.935 2.209 -2.451 1.00 0.59 C ATOM 946 O ASP A 79 -1.738 1.560 -1.421 1.00 1.11 O ATOM 947 CB ASP A 79 0.434 2.941 -2.630 1.00 0.80 C ATOM 948 CG ASP A 79 1.576 1.952 -2.692 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.383 0.833 -3.210 1.00 1.44 O ATOM 950 OD2 ASP A 79 2.690 2.296 -2.244 1.00 1.74 O ATOM 0 H ASP A 79 -1.911 4.065 -4.212 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.566 1.538 -3.939 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.768 3.902 -3.020 1.00 0.80 H new ATOM 0 HB3 ASP A 79 0.151 3.100 -1.590 1.00 0.80 H new ATOM 955 N CYS A 80 -3.126 2.688 -2.772 1.00 0.50 N ATOM 956 CA CYS A 80 -4.276 2.496 -1.895 1.00 0.46 C ATOM 957 C CYS A 80 -5.535 2.221 -2.704 1.00 0.43 C ATOM 958 O CYS A 80 -5.729 2.797 -3.776 1.00 0.60 O ATOM 959 CB CYS A 80 -4.470 3.726 -1.005 1.00 0.63 C ATOM 960 SG CYS A 80 -3.086 4.037 0.117 1.00 0.90 S ATOM 0 H CYS A 80 -3.324 3.209 -3.626 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.085 1.629 -1.262 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.617 4.601 -1.637 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.380 3.599 -0.419 1.00 0.63 H new ATOM 0 HG CYS A 80 -3.093 3.153 1.071 1.00 0.90 H new ATOM 966 N GLU A 81 -6.376 1.328 -2.195 1.00 0.34 N ATOM 967 CA GLU A 81 -7.609 0.965 -2.872 1.00 0.39 C ATOM 968 C GLU A 81 -8.697 0.604 -1.864 1.00 0.36 C ATOM 969 O GLU A 81 -8.503 -0.267 -1.012 1.00 0.45 O ATOM 970 CB GLU A 81 -7.352 -0.214 -3.806 1.00 0.49 C ATOM 971 CG GLU A 81 -8.437 -0.429 -4.845 1.00 0.74 C ATOM 972 CD GLU A 81 -8.184 -1.665 -5.678 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.002 -2.003 -5.905 1.00 1.32 O ATOM 974 OE2 GLU A 81 -9.164 -2.315 -6.101 1.00 1.15 O ATOM 0 H GLU A 81 -6.223 0.842 -1.312 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.952 1.822 -3.452 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.401 -0.059 -4.316 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.250 -1.121 -3.210 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.403 -0.518 -4.348 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.493 0.443 -5.497 1.00 0.74 H new ATOM 981 N PHE A 82 -9.828 1.282 -1.965 1.00 0.34 N ATOM 982 CA PHE A 82 -10.957 1.037 -1.077 1.00 0.32 C ATOM 983 C PHE A 82 -12.015 0.227 -1.817 1.00 0.33 C ATOM 984 O PHE A 82 -12.568 0.686 -2.814 1.00 0.42 O ATOM 985 CB PHE A 82 -11.542 2.372 -0.597 1.00 0.35 C ATOM 986 CG PHE A 82 -12.445 2.263 0.601 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.071 1.522 1.709 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.662 2.925 0.626 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.895 1.435 2.816 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.493 2.841 1.728 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.106 2.097 2.825 1.00 0.43 C ATOM 0 H PHE A 82 -9.991 2.012 -2.658 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.622 0.473 -0.206 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.722 3.048 -0.357 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.100 2.825 -1.416 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.123 1.005 1.709 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.966 3.514 -0.227 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.592 0.850 3.672 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.442 3.356 1.731 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.750 2.033 3.689 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.285 -0.980 -1.342 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.265 -1.842 -1.991 1.00 0.38 C ATOM 1003 C LYS A 83 -14.275 -2.395 -0.995 1.00 0.37 C ATOM 1004 O LYS A 83 -14.134 -2.218 0.212 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.558 -2.989 -2.717 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.581 -3.764 -1.843 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.802 -4.792 -2.651 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.826 -4.133 -3.611 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.146 -5.125 -4.479 1.00 1.44 N ATOM 0 H LYS A 83 -11.844 -1.384 -0.516 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.811 -1.238 -2.716 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.309 -3.678 -3.105 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.021 -2.586 -3.576 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.886 -3.070 -1.369 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.126 -4.266 -1.043 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -10.257 -5.450 -1.974 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.497 -5.417 -3.212 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.359 -3.413 -4.232 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.080 -3.576 -3.044 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.489 -4.634 -5.119 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.616 -5.798 -3.889 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.855 -5.640 -5.039 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.296 -3.062 -1.516 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.343 -3.644 -0.689 1.00 0.43 C ATOM 1025 C ARG A 84 -16.218 -5.163 -0.660 1.00 0.44 C ATOM 1026 O ARG A 84 -15.800 -5.775 -1.644 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.720 -3.244 -1.231 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.878 -3.649 -0.332 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.217 -3.265 -0.940 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.454 -3.950 -2.208 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.216 -5.037 -2.343 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -21.821 -5.566 -1.285 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.373 -5.590 -3.539 1.00 0.96 N ATOM 0 H ARG A 84 -15.421 -3.214 -2.517 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.234 -3.266 0.328 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.744 -2.164 -1.373 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.859 -3.698 -2.212 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.849 -4.725 -0.163 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.769 -3.171 0.641 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.017 -3.508 -0.241 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.249 -2.187 -1.098 1.00 0.61 H new ATOM 0 HE ARG A 84 -20.008 -3.573 -3.044 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -21.704 -5.141 -0.365 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.403 -6.397 -1.393 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.912 -5.184 -4.353 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.955 -6.421 -3.644 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.566 -5.759 0.471 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.516 -7.206 0.629 1.00 0.49 C ATOM 1049 C VAL A 85 -17.848 -7.821 0.201 1.00 0.55 C ATOM 1050 O VAL A 85 -18.864 -7.651 0.878 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.207 -7.600 2.092 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -16.230 -9.110 2.263 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.863 -7.032 2.525 1.00 0.50 C ATOM 0 H VAL A 85 -16.889 -5.259 1.299 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.715 -7.588 -0.004 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.983 -7.176 2.729 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -16.010 -9.362 3.300 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -17.216 -9.491 1.998 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -15.480 -9.561 1.613 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.662 -7.319 3.557 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.077 -7.424 1.880 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.886 -5.945 2.449 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.869 -8.519 -0.943 1.00 0.61 N ATOM 1064 CA PRO A 86 -19.089 -9.137 -1.463 1.00 0.69 C ATOM 1065 C PRO A 86 -19.493 -10.392 -0.693 1.00 0.68 C ATOM 1066 O PRO A 86 -20.676 -10.727 -0.611 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.720 -9.482 -2.905 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.243 -9.660 -2.898 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.707 -8.750 -1.826 1.00 0.64 C ATOM 0 HA PRO A 86 -19.949 -8.473 -1.374 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.225 -10.391 -3.234 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.018 -8.687 -3.589 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.978 -10.698 -2.694 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.817 -9.408 -3.869 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.880 -9.212 -1.286 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.332 -7.816 -2.245 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.516 -11.077 -0.113 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.784 -12.296 0.641 1.00 0.70 C ATOM 1079 C GLN A 87 -19.161 -11.975 2.086 1.00 0.70 C ATOM 1080 O GLN A 87 -18.547 -12.477 3.031 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.566 -13.220 0.605 1.00 0.78 C ATOM 1082 CG GLN A 87 -17.215 -13.714 -0.790 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.398 -14.347 -1.494 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -19.116 -13.689 -2.247 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.619 -15.627 -1.246 1.00 1.21 N ATOM 0 H GLN A 87 -17.532 -10.810 -0.150 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.628 -12.804 0.175 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.708 -12.692 1.021 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.754 -14.079 1.249 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.845 -12.879 -1.386 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.405 -14.440 -0.722 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -18.001 -16.138 -0.616 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.407 -16.103 -1.685 1.00 1.21 H new ATOM 1094 N CYS A 88 -20.177 -11.141 2.249 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.644 -10.745 3.565 1.00 0.71 C ATOM 1096 C CYS A 88 -22.167 -10.633 3.573 1.00 0.71 C ATOM 1097 O CYS A 88 -22.747 -10.060 2.648 1.00 0.74 O ATOM 1098 CB CYS A 88 -20.015 -9.413 3.963 1.00 0.73 C ATOM 1099 SG CYS A 88 -20.426 -8.873 5.633 1.00 1.44 S ATOM 0 H CYS A 88 -20.697 -10.723 1.477 1.00 0.73 H new ATOM 0 HA CYS A 88 -20.347 -11.505 4.288 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.932 -9.495 3.876 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.335 -8.647 3.256 1.00 0.73 H new ATOM 0 HG CYS A 88 -21.351 -7.961 5.579 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.827 -11.200 4.604 1.00 0.75 N ATOM 1106 CA PRO A 89 -24.290 -11.160 4.741 1.00 0.79 C ATOM 1107 C PRO A 89 -24.855 -9.741 4.683 1.00 0.74 C ATOM 1108 O PRO A 89 -25.858 -9.486 4.014 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.538 -11.768 6.123 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.348 -12.613 6.402 1.00 0.92 C ATOM 1111 CD PRO A 89 -22.190 -11.954 5.707 1.00 0.81 C ATOM 0 HA PRO A 89 -24.780 -11.692 3.925 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.654 -10.991 6.879 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.452 -12.361 6.133 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -23.167 -12.687 7.474 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.497 -13.628 6.033 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.642 -11.294 6.379 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.478 -12.688 5.331 1.00 0.81 H new ATOM 1119 N SER A 90 -24.217 -8.821 5.396 1.00 0.71 N ATOM 1120 CA SER A 90 -24.658 -7.436 5.400 1.00 0.71 C ATOM 1121 C SER A 90 -24.300 -6.785 4.070 1.00 0.65 C ATOM 1122 O SER A 90 -25.114 -6.085 3.463 1.00 0.72 O ATOM 1123 CB SER A 90 -24.024 -6.667 6.562 1.00 0.75 C ATOM 1124 OG SER A 90 -22.621 -6.865 6.601 1.00 0.85 O ATOM 0 H SER A 90 -23.398 -9.009 5.975 1.00 0.71 H new ATOM 0 HA SER A 90 -25.740 -7.410 5.533 1.00 0.71 H new ATOM 0 HB2 SER A 90 -24.241 -5.604 6.460 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.467 -6.994 7.503 1.00 0.75 H new ATOM 0 HG SER A 90 -22.240 -6.362 7.351 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.078 -7.038 3.614 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.616 -6.487 2.359 1.00 0.60 C ATOM 1132 C GLY A 91 -22.213 -5.036 2.488 1.00 0.57 C ATOM 1133 O GLY A 91 -21.911 -4.378 1.494 1.00 0.64 O ATOM 0 H GLY A 91 -22.395 -7.621 4.099 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.767 -7.068 2.000 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.404 -6.579 1.612 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.195 -4.543 3.719 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.832 -3.159 3.987 1.00 0.51 C ATOM 1139 C ARG A 92 -20.428 -3.081 4.563 1.00 0.48 C ATOM 1140 O ARG A 92 -20.027 -2.060 5.130 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.827 -2.528 4.956 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.270 -2.648 4.510 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.183 -1.778 5.355 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.990 -0.354 5.081 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.526 0.619 5.810 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.283 0.329 6.859 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.320 1.884 5.479 1.00 0.60 N ATOM 0 H ARG A 92 -22.429 -5.084 4.551 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.857 -2.609 3.046 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.718 -2.998 5.933 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.581 -1.474 5.081 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.354 -2.358 3.463 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.589 -3.688 4.579 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.221 -2.047 5.161 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.995 -1.973 6.411 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.410 -0.093 4.284 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.456 -0.644 7.109 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.692 1.079 7.416 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.750 2.112 4.664 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.731 2.631 6.039 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.692 -4.171 4.425 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.332 -4.239 4.919 1.00 0.45 C ATOM 1163 C VAL A 93 -17.362 -3.861 3.809 1.00 0.41 C ATOM 1164 O VAL A 93 -17.343 -4.479 2.744 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.990 -5.640 5.467 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.527 -5.723 5.871 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.891 -5.980 6.648 1.00 0.56 C ATOM 0 H VAL A 93 -20.018 -5.024 3.972 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.240 -3.532 5.744 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.163 -6.368 4.675 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.311 -6.720 6.254 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.898 -5.524 5.003 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.321 -4.984 6.646 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.639 -6.971 7.025 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.747 -5.244 7.439 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.932 -5.968 6.326 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.588 -2.826 4.052 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.620 -2.347 3.092 1.00 0.37 C ATOM 1179 C TYR A 94 -14.219 -2.574 3.638 1.00 0.35 C ATOM 1180 O TYR A 94 -14.042 -2.748 4.844 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.850 -0.861 2.802 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.082 -0.581 1.966 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.357 -0.726 2.497 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.968 -0.173 0.644 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.484 -0.480 1.736 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.089 0.077 -0.124 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.345 -0.076 0.427 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.462 0.166 -0.339 1.00 0.53 O ATOM 0 H TYR A 94 -16.613 -2.293 4.921 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.733 -2.896 2.157 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.935 -0.326 3.748 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.976 -0.462 2.288 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.470 -1.037 3.525 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.987 -0.049 0.209 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.467 -0.604 2.165 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -17.983 0.391 -1.152 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.224 0.120 -1.288 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.234 -2.584 2.763 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.863 -2.806 3.184 1.00 0.33 C ATOM 1200 C VAL A 95 -10.886 -1.956 2.377 1.00 0.31 C ATOM 1201 O VAL A 95 -10.972 -1.871 1.147 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.477 -4.305 3.078 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.738 -4.846 1.681 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.024 -4.528 3.477 1.00 0.38 C ATOM 0 H VAL A 95 -13.355 -2.442 1.760 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.797 -2.504 4.229 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.109 -4.855 3.775 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.457 -5.898 1.640 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.797 -4.743 1.443 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.147 -4.284 0.957 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.782 -5.587 3.393 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.373 -3.954 2.817 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.875 -4.203 4.507 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.978 -1.305 3.088 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.957 -0.477 2.473 1.00 0.30 C ATOM 1216 C LEU A 96 -7.668 -1.277 2.404 1.00 0.30 C ATOM 1217 O LEU A 96 -7.084 -1.618 3.436 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.746 0.806 3.281 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.699 1.769 2.719 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.171 2.375 1.406 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.389 2.861 3.730 1.00 0.44 C ATOM 0 H LEU A 96 -9.930 -1.337 4.106 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.271 -0.190 1.469 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.698 1.332 3.352 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.457 0.533 4.296 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.786 1.207 2.523 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.410 3.056 1.025 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.343 1.581 0.680 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.099 2.923 1.571 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.642 3.539 3.316 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.299 3.417 3.955 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.003 2.411 4.645 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.244 -1.609 1.197 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.034 -2.394 1.018 1.00 0.33 C ATOM 1235 C LYS A 97 -4.906 -1.553 0.448 1.00 0.26 C ATOM 1236 O LYS A 97 -5.107 -0.754 -0.468 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.289 -3.589 0.097 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.124 -4.567 0.040 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.164 -5.419 -1.218 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.009 -6.413 -1.265 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.685 -5.737 -1.374 1.00 0.89 N ATOM 0 H LYS A 97 -7.716 -1.349 0.331 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.739 -2.755 2.003 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.180 -4.116 0.437 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.498 -3.225 -0.909 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.184 -4.016 0.076 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.148 -5.213 0.918 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.110 -5.959 -1.262 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.124 -4.774 -2.096 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -4.027 -7.030 -0.366 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.143 -7.083 -2.114 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -1.934 -6.453 -1.437 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -2.668 -5.142 -2.227 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.528 -5.143 -0.535 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.725 -1.736 1.006 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.546 -1.033 0.545 1.00 0.30 C ATOM 1257 C PHE A 98 -1.770 -1.935 -0.405 1.00 0.33 C ATOM 1258 O PHE A 98 -1.746 -3.155 -0.234 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.663 -0.627 1.724 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.219 0.511 2.540 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.339 0.331 3.337 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.618 1.756 2.509 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.847 1.373 4.089 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.121 2.802 3.258 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.238 2.610 4.049 1.00 0.77 C ATOM 0 H PHE A 98 -3.557 -2.372 1.786 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.851 -0.125 0.024 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.521 -1.491 2.373 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.679 -0.345 1.348 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.820 -0.635 3.371 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.745 1.912 1.892 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.719 1.219 4.707 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.642 3.769 3.226 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.633 3.427 4.635 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.151 -1.340 -1.408 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.382 -2.100 -2.384 1.00 0.48 C ATOM 1277 C LYS A 99 1.110 -2.003 -2.069 1.00 0.54 C ATOM 1278 O LYS A 99 1.960 -2.452 -2.842 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.665 -1.580 -3.797 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.149 -1.465 -4.120 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.383 -0.604 -5.350 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.865 -0.357 -5.586 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.474 -1.380 -6.477 1.00 1.11 N ATOM 0 H LYS A 99 -1.164 -0.333 -1.571 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.681 -3.147 -2.332 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.199 -0.601 -3.915 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.195 -2.246 -4.521 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.565 -2.459 -4.285 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.676 -1.036 -3.268 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -1.869 0.350 -5.231 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.951 -1.092 -6.224 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.387 -0.355 -4.629 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.001 0.631 -6.026 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -4.538 -1.004 -7.444 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.884 -2.236 -6.477 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -5.427 -1.617 -6.134 1.00 1.11 H new ATOM 1297 N ALA A 100 1.416 -1.413 -0.919 1.00 0.55 N ATOM 1298 CA ALA A 100 2.797 -1.242 -0.486 1.00 0.63 C ATOM 1299 C ALA A 100 3.250 -2.403 0.389 1.00 0.62 C ATOM 1300 O ALA A 100 4.438 -2.712 0.460 1.00 1.36 O ATOM 1301 CB ALA A 100 2.950 0.072 0.266 1.00 0.89 C ATOM 0 H ALA A 100 0.723 -1.044 -0.268 1.00 0.55 H new ATOM 0 HA ALA A 100 3.429 -1.223 -1.374 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.986 0.190 0.585 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.675 0.900 -0.388 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.299 0.069 1.140 1.00 0.89 H new ATOM 1307 N GLY A 101 2.297 -3.049 1.045 1.00 0.78 N ATOM 1308 CA GLY A 101 2.617 -4.160 1.917 1.00 0.83 C ATOM 1309 C GLY A 101 1.371 -4.795 2.492 1.00 0.73 C ATOM 1310 O GLY A 101 0.269 -4.549 2.004 1.00 1.06 O ATOM 0 H GLY A 101 1.304 -2.822 0.988 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.183 -4.907 1.362 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.257 -3.813 2.729 1.00 0.83 H new ATOM 1314 N SER A 102 1.539 -5.604 3.530 1.00 0.51 N ATOM 1315 CA SER A 102 0.414 -6.276 4.163 1.00 0.48 C ATOM 1316 C SER A 102 -0.376 -5.320 5.058 1.00 0.52 C ATOM 1317 O SER A 102 -0.033 -5.111 6.224 1.00 1.13 O ATOM 1318 CB SER A 102 0.918 -7.472 4.971 1.00 0.60 C ATOM 1319 OG SER A 102 1.797 -8.271 4.194 1.00 1.00 O ATOM 0 H SER A 102 2.445 -5.810 3.951 1.00 0.51 H new ATOM 0 HA SER A 102 -0.261 -6.626 3.382 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.433 -7.121 5.865 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.072 -8.073 5.305 1.00 0.60 H new ATOM 0 HG SER A 102 2.109 -9.030 4.730 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.427 -4.729 4.504 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.262 -3.808 5.256 1.00 0.42 C ATOM 1327 C LYS A 103 -3.705 -3.873 4.770 1.00 0.39 C ATOM 1328 O LYS A 103 -4.038 -3.360 3.700 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.726 -2.380 5.143 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.125 -1.493 6.312 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.233 -0.267 6.417 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.382 0.407 7.770 1.00 0.93 C ATOM 1333 NZ LYS A 103 -0.942 -0.474 8.886 1.00 1.17 N ATOM 0 H LYS A 103 -1.719 -4.872 3.537 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.237 -4.104 6.305 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.639 -2.412 5.075 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.090 -1.935 4.217 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.162 -1.179 6.194 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.069 -2.065 7.238 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.193 -0.557 6.265 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.486 0.439 5.626 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.797 1.327 7.783 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.424 0.690 7.921 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.259 0.036 9.482 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -1.766 -0.746 9.459 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.493 -1.328 8.498 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.544 -4.531 5.556 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.956 -4.678 5.232 1.00 0.38 C ATOM 1349 C ARG A 104 -6.816 -4.095 6.351 1.00 0.37 C ATOM 1350 O ARG A 104 -6.926 -4.688 7.423 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.312 -6.157 5.039 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.785 -6.765 3.751 1.00 0.63 C ATOM 1353 CD ARG A 104 -6.010 -8.271 3.727 1.00 0.86 C ATOM 1354 NE ARG A 104 -5.736 -8.852 2.410 1.00 1.11 N ATOM 1355 CZ ARG A 104 -4.936 -9.903 2.207 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -4.323 -10.494 3.232 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -4.762 -10.369 0.973 1.00 1.70 N ATOM 0 H ARG A 104 -4.268 -4.976 6.431 1.00 0.37 H new ATOM 0 HA ARG A 104 -6.151 -4.139 4.305 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.920 -6.726 5.882 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.397 -6.263 5.060 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.283 -6.306 2.897 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.721 -6.551 3.652 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.369 -8.744 4.471 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -7.040 -8.487 4.010 1.00 0.86 H new ATOM 0 HE ARG A 104 -6.184 -8.428 1.598 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -4.463 -10.145 4.180 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -3.714 -11.296 3.069 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -5.238 -9.924 0.188 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -4.153 -11.171 0.812 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.407 -2.933 6.112 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.250 -2.291 7.113 1.00 0.34 C ATOM 1373 C LEU A 105 -9.724 -2.501 6.779 1.00 0.33 C ATOM 1374 O LEU A 105 -10.207 -2.028 5.751 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.939 -0.795 7.201 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.474 -0.443 7.470 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.277 1.062 7.423 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.034 -0.994 8.817 1.00 0.82 C ATOM 0 H LEU A 105 -7.319 -2.416 5.237 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.040 -2.747 8.081 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.243 -0.323 6.267 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.550 -0.360 7.992 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.859 -0.899 6.694 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.231 1.298 7.616 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.557 1.435 6.438 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.901 1.535 8.181 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -4.990 -0.735 8.993 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.652 -0.564 9.605 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.144 -2.078 8.820 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.431 -3.209 7.647 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.846 -3.493 7.434 1.00 0.34 C ATOM 1392 C PHE A 106 -12.729 -2.490 8.169 1.00 0.35 C ATOM 1393 O PHE A 106 -12.456 -2.129 9.317 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.181 -4.915 7.897 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.530 -5.994 7.082 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.262 -6.455 7.402 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.190 -6.556 6.003 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.666 -7.454 6.659 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.600 -7.558 5.257 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.335 -8.006 5.584 1.00 0.52 C ATOM 0 H PHE A 106 -10.049 -3.599 8.508 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.044 -3.406 6.366 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.878 -5.028 8.938 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.262 -5.051 7.864 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.735 -6.028 8.242 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.178 -6.207 5.741 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.678 -7.804 6.918 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.127 -7.990 4.419 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.870 -8.786 5.000 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.783 -2.045 7.495 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.732 -1.086 8.056 1.00 0.37 C ATOM 1412 C PHE A 107 -16.148 -1.462 7.639 1.00 0.39 C ATOM 1413 O PHE A 107 -16.351 -1.998 6.556 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.428 0.334 7.563 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.142 0.912 8.081 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -13.102 1.580 9.296 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.972 0.795 7.348 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.920 2.119 9.768 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.787 1.331 7.816 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.761 1.993 9.030 1.00 0.46 C ATOM 0 H PHE A 107 -14.005 -2.338 6.544 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.641 -1.111 9.142 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.396 0.327 6.473 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.249 0.989 7.854 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -14.005 1.680 9.880 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -11.986 0.279 6.399 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.904 2.639 10.715 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.882 1.233 7.234 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.836 2.410 9.399 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.126 -1.189 8.489 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.511 -1.498 8.159 1.00 0.43 C ATOM 1432 C TRP A 108 -19.378 -0.254 8.309 1.00 0.45 C ATOM 1433 O TRP A 108 -19.332 0.432 9.331 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.049 -2.670 8.997 1.00 0.45 C ATOM 1435 CG TRP A 108 -19.021 -2.466 10.483 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.938 -2.561 11.308 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.140 -2.162 11.322 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.316 -2.323 12.608 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.661 -2.077 12.640 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.501 -1.947 11.082 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.496 -1.791 13.719 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.328 -1.664 12.152 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.824 -1.588 13.457 1.00 0.74 C ATOM 0 H TRP A 108 -16.990 -0.759 9.404 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.549 -1.817 7.117 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.077 -2.869 8.694 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.468 -3.561 8.759 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.932 -2.789 10.987 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.695 -2.329 13.417 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.898 -2.001 10.079 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -20.109 -1.732 14.726 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.381 -1.499 11.979 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.496 -1.365 14.272 1.00 0.74 H new ATOM 1454 N MET A 109 -20.141 0.042 7.264 1.00 0.46 N ATOM 1455 CA MET A 109 -21.007 1.219 7.238 1.00 0.48 C ATOM 1456 C MET A 109 -22.058 1.164 8.342 1.00 0.50 C ATOM 1457 O MET A 109 -22.681 0.127 8.576 1.00 0.51 O ATOM 1458 CB MET A 109 -21.704 1.346 5.877 1.00 0.50 C ATOM 1459 CG MET A 109 -20.755 1.513 4.699 1.00 0.50 C ATOM 1460 SD MET A 109 -19.938 3.124 4.673 1.00 0.58 S ATOM 1461 CE MET A 109 -19.164 3.070 3.058 1.00 0.60 C ATOM 0 H MET A 109 -20.179 -0.522 6.415 1.00 0.46 H new ATOM 0 HA MET A 109 -20.374 2.091 7.405 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.317 0.460 5.712 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.381 2.200 5.907 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.999 0.729 4.735 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.310 1.378 3.771 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.722 4.041 2.834 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.386 2.307 3.053 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.913 2.830 2.303 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.244 2.287 9.022 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.230 2.386 10.091 1.00 0.53 C ATOM 1473 C GLN A 110 -24.330 3.355 9.680 1.00 0.56 C ATOM 1474 O GLN A 110 -25.182 3.733 10.485 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.577 2.866 11.387 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.513 1.929 11.930 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.968 2.377 13.274 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.983 3.565 13.604 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.477 1.430 14.055 1.00 0.53 N ATOM 0 H GLN A 110 -21.722 3.147 8.852 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.657 1.398 10.265 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -22.130 3.845 11.215 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.350 2.997 12.144 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.932 0.928 12.028 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.694 1.863 11.214 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.483 0.458 13.744 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.092 1.671 14.968 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.289 3.759 8.418 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.267 4.686 7.870 1.00 0.60 C ATOM 1490 C GLU A 111 -26.670 4.085 7.899 1.00 0.63 C ATOM 1491 O GLU A 111 -26.842 2.887 7.667 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.885 5.056 6.437 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.627 5.893 6.341 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.813 7.282 6.907 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.740 7.992 6.460 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.036 7.681 7.793 1.00 0.67 O ATOM 0 H GLU A 111 -23.581 3.455 7.749 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.271 5.584 8.487 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.748 4.142 5.859 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.710 5.602 5.979 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.819 5.392 6.874 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.322 5.967 5.297 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.686 4.906 8.186 1.00 0.67 N ATOM 1504 CA PRO A 112 -29.081 4.448 8.244 1.00 0.71 C ATOM 1505 C PRO A 112 -29.562 3.839 6.924 1.00 0.71 C ATOM 1506 O PRO A 112 -30.289 2.842 6.920 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.872 5.722 8.571 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.952 6.863 8.288 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.560 6.343 8.495 1.00 0.71 C ATOM 0 HA PRO A 112 -29.209 3.653 8.979 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.774 5.788 7.962 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.190 5.727 9.614 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.084 7.225 7.268 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.157 7.702 8.953 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.845 6.835 7.836 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.217 6.506 9.517 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.145 4.423 5.808 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.552 3.934 4.496 1.00 0.75 C ATOM 1519 C LYS A 113 -28.343 3.505 3.671 1.00 0.69 C ATOM 1520 O LYS A 113 -27.235 4.000 3.871 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.349 5.009 3.757 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.734 5.243 4.344 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.322 6.568 3.887 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.730 6.770 4.430 1.00 1.11 C ATOM 1525 NZ LYS A 113 -33.943 8.153 4.936 1.00 1.51 N ATOM 0 H LYS A 113 -28.527 5.234 5.784 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.187 3.060 4.640 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.790 5.945 3.778 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.450 4.722 2.710 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.397 4.430 4.048 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.675 5.227 5.432 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.682 7.385 4.219 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.343 6.602 2.798 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.455 6.556 3.644 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.913 6.058 5.235 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -34.914 8.245 5.296 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.269 8.349 5.704 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.794 8.832 4.163 1.00 1.51 H new ATOM 1539 N THR A 114 -28.568 2.577 2.747 1.00 0.69 N ATOM 1540 CA THR A 114 -27.508 2.061 1.886 1.00 0.66 C ATOM 1541 C THR A 114 -27.450 2.821 0.566 1.00 0.67 C ATOM 1542 O THR A 114 -26.628 2.523 -0.306 1.00 0.69 O ATOM 1543 CB THR A 114 -27.745 0.571 1.587 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.150 0.278 1.679 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.982 -0.313 2.557 1.00 0.86 C ATOM 0 H THR A 114 -29.484 2.163 2.574 1.00 0.69 H new ATOM 0 HA THR A 114 -26.563 2.192 2.414 1.00 0.66 H new ATOM 0 HB THR A 114 -27.385 0.366 0.579 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.299 -0.671 1.487 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.170 -1.360 2.320 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.915 -0.108 2.474 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.313 -0.107 3.575 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.318 3.811 0.437 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.418 4.619 -0.773 1.00 0.72 C ATOM 1555 C ASP A 115 -27.117 5.351 -1.091 1.00 0.68 C ATOM 1556 O ASP A 115 -26.767 5.527 -2.256 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.559 5.630 -0.635 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.926 4.974 -0.621 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.245 4.269 0.363 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.691 5.157 -1.594 1.00 1.19 O ATOM 0 H ASP A 115 -28.976 4.080 1.169 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.622 3.938 -1.599 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.425 6.199 0.285 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.510 6.341 -1.460 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.403 5.776 -0.059 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.142 6.491 -0.248 1.00 0.64 C ATOM 1567 C GLN A 116 -23.949 5.646 0.184 1.00 0.60 C ATOM 1568 O GLN A 116 -22.836 6.153 0.306 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.152 7.804 0.536 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.204 8.790 0.053 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.865 9.389 -1.297 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.185 8.820 -2.339 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.219 10.543 -1.287 1.00 0.92 N ATOM 0 H GLN A 116 -26.671 5.641 0.916 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.042 6.704 -1.312 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.325 7.587 1.590 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.169 8.269 0.463 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.168 8.285 -0.009 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.310 9.590 0.785 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.972 10.982 -0.400 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.968 10.994 -2.166 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.181 4.359 0.409 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.119 3.453 0.841 1.00 0.58 C ATOM 1584 C ASP A 117 -21.991 3.398 -0.186 1.00 0.55 C ATOM 1585 O ASP A 117 -20.843 3.740 0.118 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.672 2.049 1.084 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.689 1.682 2.555 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.773 2.597 3.400 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.628 0.474 2.874 1.00 0.64 O ATOM 0 H ASP A 117 -25.094 3.917 0.300 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.715 3.840 1.777 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.684 1.986 0.685 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -23.068 1.324 0.538 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.329 2.990 -1.405 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.351 2.898 -2.485 1.00 0.56 C ATOM 1596 C GLU A 118 -20.786 4.271 -2.823 1.00 0.55 C ATOM 1597 O GLU A 118 -19.601 4.407 -3.126 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.988 2.277 -3.726 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.888 0.765 -3.765 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.467 0.289 -3.968 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.982 0.333 -5.123 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -19.824 -0.132 -2.984 1.00 0.70 O ATOM 0 H GLU A 118 -23.275 2.717 -1.671 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.533 2.261 -2.148 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.038 2.565 -3.768 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.509 2.688 -4.615 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.277 0.353 -2.834 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.516 0.382 -4.570 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.646 5.285 -2.755 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.247 6.658 -3.039 1.00 0.59 C ATOM 1611 C GLU A 119 -20.112 7.085 -2.112 1.00 0.56 C ATOM 1612 O GLU A 119 -19.178 7.773 -2.526 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.440 7.601 -2.872 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.117 9.058 -3.172 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.782 9.306 -4.631 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.975 8.393 -5.466 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.339 10.427 -4.951 1.00 1.25 O ATOM 0 H GLU A 119 -22.629 5.178 -2.504 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.896 6.710 -4.070 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.245 7.274 -3.530 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.812 7.524 -1.850 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -22.968 9.678 -2.891 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.276 9.372 -2.554 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.195 6.662 -0.852 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.175 6.990 0.134 1.00 0.54 C ATOM 1626 C HIS A 120 -17.840 6.383 -0.276 1.00 0.51 C ATOM 1627 O HIS A 120 -16.800 7.026 -0.173 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.574 6.482 1.522 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.680 7.266 2.161 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.664 6.693 2.944 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.960 8.590 2.122 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.498 7.632 3.353 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -22.089 8.788 2.872 1.00 0.74 N ATOM 0 H HIS A 120 -20.960 6.091 -0.493 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.079 8.075 0.179 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.880 5.439 1.442 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.700 6.509 2.173 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -20.398 9.349 1.597 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.367 7.478 3.976 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.541 9.688 3.033 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.886 5.144 -0.755 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.686 4.440 -1.195 1.00 0.48 C ATOM 1644 C CYS A 121 -16.085 5.119 -2.421 1.00 0.48 C ATOM 1645 O CYS A 121 -14.865 5.252 -2.539 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.025 2.983 -1.516 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.643 2.021 -2.183 1.00 0.48 S ATOM 0 H CYS A 121 -18.746 4.604 -0.849 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.952 4.468 -0.390 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.384 2.498 -0.608 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.845 2.963 -2.234 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.627 2.103 -1.376 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.956 5.545 -3.326 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.544 6.213 -4.552 1.00 0.54 C ATOM 1655 C ARG A 122 -15.778 7.497 -4.248 1.00 0.53 C ATOM 1656 O ARG A 122 -14.646 7.676 -4.697 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.775 6.526 -5.406 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.513 7.514 -6.533 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.745 7.713 -7.396 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.078 6.506 -8.153 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.267 5.902 -8.125 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.255 6.381 -7.376 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.468 4.812 -8.851 1.00 1.52 N ATOM 0 H ARG A 122 -17.966 5.437 -3.231 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.879 5.546 -5.101 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.154 5.597 -5.832 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.559 6.925 -4.762 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.202 8.471 -6.114 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.690 7.154 -7.150 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.589 7.991 -6.766 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.576 8.540 -8.086 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.352 6.099 -8.742 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -21.109 7.220 -6.814 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.160 5.910 -7.363 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -19.715 4.438 -9.428 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -21.376 4.347 -8.832 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.404 8.378 -3.471 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.801 9.658 -3.113 1.00 0.53 C ATOM 1679 C LYS A 123 -14.454 9.462 -2.439 1.00 0.51 C ATOM 1680 O LYS A 123 -13.480 10.136 -2.783 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.739 10.454 -2.209 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.973 10.951 -2.938 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.872 11.758 -2.022 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.033 12.369 -2.792 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.921 13.186 -1.924 1.00 1.12 N ATOM 0 H LYS A 123 -17.332 8.227 -3.076 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.637 10.221 -4.032 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.045 9.829 -1.370 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.200 11.305 -1.793 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.673 11.564 -3.788 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.527 10.102 -3.338 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.255 11.118 -1.228 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.293 12.548 -1.543 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.644 12.992 -3.597 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.616 11.574 -3.257 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.696 13.581 -2.494 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.315 12.588 -1.170 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.374 13.962 -1.500 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.399 8.529 -1.495 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.165 8.238 -0.778 1.00 0.46 C ATOM 1701 C VAL A 124 -12.069 7.810 -1.750 1.00 0.45 C ATOM 1702 O VAL A 124 -10.962 8.346 -1.720 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.378 7.139 0.289 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.051 6.607 0.819 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.229 7.664 1.433 1.00 0.50 C ATOM 0 H VAL A 124 -15.196 7.961 -1.209 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.857 9.152 -0.271 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.902 6.312 -0.191 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.240 5.837 1.567 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.475 6.181 -0.003 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.487 7.422 1.273 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.368 6.877 2.174 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.730 8.515 1.897 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.200 7.977 1.050 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.401 6.867 -2.628 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.454 6.351 -3.614 1.00 0.48 C ATOM 1717 C ASN A 125 -10.866 7.466 -4.470 1.00 0.49 C ATOM 1718 O ASN A 125 -9.655 7.503 -4.712 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.131 5.320 -4.514 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.831 3.896 -4.099 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.720 3.578 -3.666 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.817 3.025 -4.237 1.00 0.77 N ATOM 0 H ASN A 125 -13.327 6.441 -2.677 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.640 5.878 -3.064 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.209 5.480 -4.496 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.804 5.471 -5.543 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.674 2.048 -3.981 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.720 3.330 -4.599 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.727 8.375 -4.922 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.301 9.490 -5.755 1.00 0.56 C ATOM 1731 C GLU A 126 -10.312 10.387 -5.021 1.00 0.55 C ATOM 1732 O GLU A 126 -9.245 10.698 -5.543 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.506 10.324 -6.194 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.515 9.557 -7.033 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.620 10.444 -7.563 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.459 10.906 -6.762 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -14.657 10.688 -8.787 1.00 1.27 O ATOM 0 H GLU A 126 -12.727 8.358 -4.723 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.808 9.070 -6.632 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.007 10.714 -5.308 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.152 11.183 -6.764 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.002 9.082 -7.869 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.951 8.759 -6.432 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.662 10.772 -3.801 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.824 11.657 -3.001 1.00 0.55 C ATOM 1746 C TYR A 127 -8.490 11.020 -2.614 1.00 0.52 C ATOM 1747 O TYR A 127 -7.485 11.717 -2.472 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.574 12.083 -1.746 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.538 13.222 -1.975 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.074 14.515 -2.169 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -12.911 13.010 -1.996 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -11.950 15.561 -2.373 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -13.792 14.052 -2.203 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.307 15.324 -2.389 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.180 16.364 -2.595 1.00 0.84 O ATOM 0 H TYR A 127 -11.526 10.484 -3.341 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.597 12.526 -3.618 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.123 11.227 -1.353 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.852 12.377 -0.984 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.011 14.706 -2.160 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.296 12.012 -1.848 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.573 16.562 -2.520 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -14.856 13.869 -2.219 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.100 16.027 -2.578 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.479 9.707 -2.437 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.251 9.012 -2.061 1.00 0.49 C ATOM 1767 C LEU A 128 -6.288 8.925 -3.240 1.00 0.53 C ATOM 1768 O LEU A 128 -5.076 9.033 -3.067 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.556 7.602 -1.539 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.477 7.528 -0.316 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.484 6.122 0.259 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.060 8.534 0.746 1.00 0.44 C ATOM 0 H LEU A 128 -9.295 9.105 -2.545 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.780 9.589 -1.265 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.008 7.026 -2.346 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.613 7.115 -1.290 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.487 7.779 -0.640 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.143 6.087 1.127 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.841 5.422 -0.496 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.473 5.847 0.560 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.731 8.459 1.602 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.039 8.324 1.066 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.110 9.541 0.333 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.834 8.749 -4.435 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.014 8.624 -5.638 1.00 0.59 C ATOM 1786 C ASN A 129 -5.697 9.985 -6.248 1.00 0.65 C ATOM 1787 O ASN A 129 -4.620 10.188 -6.813 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.717 7.738 -6.669 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.596 6.260 -6.338 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.632 5.601 -6.724 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -7.575 5.729 -5.617 1.00 0.89 N ATOM 0 H ASN A 129 -7.839 8.689 -4.600 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.071 8.161 -5.347 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.771 8.011 -6.721 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.291 7.923 -7.655 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -7.544 4.741 -5.364 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -8.358 6.309 -5.315 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.632 10.913 -6.138 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.449 12.250 -6.681 1.00 0.74 C ATOM 1800 C ASN A 130 -6.704 13.293 -5.609 1.00 0.80 C ATOM 1801 O ASN A 130 -7.875 13.687 -5.422 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.378 12.494 -7.873 1.00 0.82 C ATOM 1803 CG ASN A 130 -6.943 11.747 -9.116 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -6.062 12.199 -9.847 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -7.568 10.609 -9.377 1.00 1.09 N ATOM 0 H ASN A 130 -7.529 10.765 -5.676 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.418 12.333 -7.026 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.391 12.190 -7.607 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.412 13.562 -8.089 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -7.324 10.073 -10.210 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.293 10.269 -8.745 1.00 1.09 H new ATOM 1813 N ALA B 26 37.877 -7.688 7.627 1.00 1.24 N ATOM 1814 CA ALA B 26 36.829 -7.013 8.421 1.00 1.15 C ATOM 1815 C ALA B 26 35.499 -7.017 7.678 1.00 1.06 C ATOM 1816 O ALA B 26 35.364 -6.393 6.623 1.00 1.08 O ATOM 1817 CB ALA B 26 37.249 -5.586 8.741 1.00 1.27 C ATOM 0 HA ALA B 26 36.701 -7.561 9.354 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.469 -5.100 9.326 1.00 1.27 H new ATOM 0 HB2 ALA B 26 38.177 -5.599 9.313 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.403 -5.035 7.813 1.00 1.27 H new ATOM 1825 N PRO B 27 34.497 -7.730 8.209 1.00 1.03 N ATOM 1826 CA PRO B 27 33.178 -7.808 7.587 1.00 0.98 C ATOM 1827 C PRO B 27 32.380 -6.519 7.765 1.00 0.96 C ATOM 1828 O PRO B 27 32.510 -5.828 8.776 1.00 1.05 O ATOM 1829 CB PRO B 27 32.507 -8.963 8.327 1.00 1.03 C ATOM 1830 CG PRO B 27 33.167 -9.010 9.658 1.00 1.15 C ATOM 1831 CD PRO B 27 34.574 -8.525 9.450 1.00 1.12 C ATOM 0 HA PRO B 27 33.240 -7.957 6.509 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.434 -8.797 8.425 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.636 -9.903 7.790 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.641 -8.380 10.375 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.161 -10.023 10.059 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.917 -7.921 10.290 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.272 -9.356 9.349 1.00 1.12 H new ATOM 1839 N ALA B 28 31.564 -6.194 6.774 1.00 0.95 N ATOM 1840 CA ALA B 28 30.748 -4.992 6.818 1.00 0.96 C ATOM 1841 C ALA B 28 29.278 -5.344 6.634 1.00 0.90 C ATOM 1842 O ALA B 28 28.508 -4.552 6.092 1.00 0.88 O ATOM 1843 CB ALA B 28 31.205 -4.007 5.749 1.00 1.04 C ATOM 0 H ALA B 28 31.450 -6.749 5.926 1.00 0.95 H new ATOM 0 HA ALA B 28 30.867 -4.521 7.794 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.586 -3.111 5.792 1.00 1.04 H new ATOM 0 HB2 ALA B 28 32.247 -3.738 5.924 1.00 1.04 H new ATOM 0 HB3 ALA B 28 31.109 -4.467 4.766 1.00 1.04 H new ATOM 1849 N GLU B 29 28.913 -6.543 7.094 1.00 0.93 N ATOM 1850 CA GLU B 29 27.543 -7.053 7.002 1.00 0.90 C ATOM 1851 C GLU B 29 27.064 -7.129 5.551 1.00 0.85 C ATOM 1852 O GLU B 29 26.481 -6.183 5.024 1.00 0.82 O ATOM 1853 CB GLU B 29 26.574 -6.209 7.839 1.00 0.91 C ATOM 1854 CG GLU B 29 26.633 -6.518 9.324 1.00 1.14 C ATOM 1855 CD GLU B 29 25.498 -5.878 10.095 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.362 -6.394 10.034 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.735 -4.859 10.780 1.00 1.30 O ATOM 0 H GLU B 29 29.562 -7.190 7.542 1.00 0.93 H new ATOM 0 HA GLU B 29 27.554 -8.065 7.407 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.798 -5.153 7.686 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.558 -6.374 7.481 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.603 -7.598 9.469 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.584 -6.169 9.727 1.00 1.14 H new ATOM 1864 N PRO B 30 27.282 -8.278 4.893 1.00 0.88 N ATOM 1865 CA PRO B 30 26.866 -8.487 3.502 1.00 0.88 C ATOM 1866 C PRO B 30 25.364 -8.751 3.386 1.00 0.82 C ATOM 1867 O PRO B 30 24.892 -9.334 2.407 1.00 0.85 O ATOM 1868 CB PRO B 30 27.666 -9.719 3.083 1.00 1.00 C ATOM 1869 CG PRO B 30 27.890 -10.485 4.342 1.00 1.07 C ATOM 1870 CD PRO B 30 27.953 -9.472 5.455 1.00 0.98 C ATOM 0 HA PRO B 30 27.049 -7.613 2.877 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.119 -10.314 2.352 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.612 -9.436 2.620 1.00 1.00 H new ATOM 0 HG2 PRO B 30 27.082 -11.197 4.511 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.815 -11.059 4.287 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.445 -9.831 6.350 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.983 -9.254 5.739 1.00 0.98 H new ATOM 1878 N LYS B 31 24.622 -8.303 4.389 1.00 0.78 N ATOM 1879 CA LYS B 31 23.181 -8.475 4.427 1.00 0.74 C ATOM 1880 C LYS B 31 22.505 -7.402 3.585 1.00 0.69 C ATOM 1881 O LYS B 31 22.046 -6.389 4.106 1.00 0.73 O ATOM 1882 CB LYS B 31 22.677 -8.398 5.871 1.00 0.76 C ATOM 1883 CG LYS B 31 23.363 -9.373 6.813 1.00 0.92 C ATOM 1884 CD LYS B 31 22.367 -10.333 7.437 1.00 1.11 C ATOM 1885 CE LYS B 31 21.766 -11.266 6.399 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.571 -11.972 6.922 1.00 1.45 N ATOM 0 H LYS B 31 25.004 -7.811 5.197 1.00 0.78 H new ATOM 0 HA LYS B 31 22.935 -9.455 4.019 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.823 -7.384 6.243 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.604 -8.590 5.882 1.00 0.76 H new ATOM 0 HG2 LYS B 31 24.121 -9.936 6.268 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.879 -8.821 7.598 1.00 0.92 H new ATOM 0 HD2 LYS B 31 22.862 -10.919 8.211 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.572 -9.768 7.924 1.00 1.11 H new ATOM 0 HE2 LYS B 31 21.492 -10.695 5.512 1.00 1.32 H new ATOM 0 HE3 LYS B 31 22.514 -11.996 6.090 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.189 -12.599 6.186 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 20.838 -12.537 7.754 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.848 -11.276 7.194 1.00 1.45 H new ATOM 1900 N ILE B 32 22.480 -7.619 2.282 1.00 0.68 N ATOM 1901 CA ILE B 32 21.864 -6.678 1.365 1.00 0.66 C ATOM 1902 C ILE B 32 20.401 -7.041 1.162 1.00 0.62 C ATOM 1903 O ILE B 32 20.074 -8.179 0.811 1.00 0.67 O ATOM 1904 CB ILE B 32 22.613 -6.643 0.003 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.786 -5.653 0.059 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.679 -6.278 -1.144 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.924 -6.086 0.957 1.00 1.20 C ATOM 0 H ILE B 32 22.881 -8.443 1.834 1.00 0.68 H new ATOM 0 HA ILE B 32 21.928 -5.681 1.800 1.00 0.66 H new ATOM 0 HB ILE B 32 22.998 -7.646 -0.183 1.00 0.71 H new ATOM 0 HG12 ILE B 32 24.171 -5.506 -0.950 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.415 -4.687 0.402 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.239 -6.264 -2.079 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.880 -7.016 -1.211 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.249 -5.293 -0.964 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.710 -5.331 0.939 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.558 -6.204 1.977 1.00 1.20 H new ATOM 0 HD13 ILE B 32 25.325 -7.036 0.603 1.00 1.20 H new ATOM 1919 N ILE B 33 19.524 -6.085 1.415 1.00 0.58 N ATOM 1920 CA ILE B 33 18.095 -6.301 1.257 1.00 0.56 C ATOM 1921 C ILE B 33 17.579 -5.596 0.010 1.00 0.54 C ATOM 1922 O ILE B 33 18.135 -4.578 -0.420 1.00 0.60 O ATOM 1923 CB ILE B 33 17.294 -5.819 2.487 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.671 -4.379 2.855 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.525 -6.754 3.667 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.781 -3.769 3.917 1.00 0.67 C ATOM 0 H ILE B 33 19.777 -5.149 1.732 1.00 0.58 H new ATOM 0 HA ILE B 33 17.949 -7.377 1.157 1.00 0.56 H new ATOM 0 HB ILE B 33 16.234 -5.834 2.234 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.703 -4.361 3.205 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.627 -3.761 1.958 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.955 -6.402 4.527 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.200 -7.760 3.403 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.586 -6.769 3.917 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.108 -2.750 4.125 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.750 -3.754 3.563 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.843 -4.363 4.829 1.00 0.67 H new ATOM 1938 N LYS B 34 16.524 -6.145 -0.570 1.00 0.53 N ATOM 1939 CA LYS B 34 15.930 -5.585 -1.770 1.00 0.53 C ATOM 1940 C LYS B 34 14.832 -4.591 -1.426 1.00 0.48 C ATOM 1941 O LYS B 34 13.885 -4.913 -0.706 1.00 0.57 O ATOM 1942 CB LYS B 34 15.364 -6.698 -2.643 1.00 0.58 C ATOM 1943 CG LYS B 34 16.429 -7.545 -3.315 1.00 0.76 C ATOM 1944 CD LYS B 34 15.865 -8.878 -3.773 1.00 0.87 C ATOM 1945 CE LYS B 34 16.794 -9.568 -4.754 1.00 1.07 C ATOM 1946 NZ LYS B 34 18.165 -9.723 -4.203 1.00 1.31 N ATOM 0 H LYS B 34 16.059 -6.985 -0.225 1.00 0.53 H new ATOM 0 HA LYS B 34 16.711 -5.057 -2.318 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.732 -7.342 -2.032 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.725 -6.258 -3.409 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.838 -7.007 -4.170 1.00 0.76 H new ATOM 0 HG3 LYS B 34 17.253 -7.715 -2.622 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.704 -9.522 -2.909 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.893 -8.722 -4.240 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.391 -10.549 -5.007 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.837 -8.993 -5.679 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.721 -10.343 -4.826 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 18.623 -8.791 -4.144 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 18.112 -10.144 -3.253 1.00 1.31 H new ATOM 1960 N VAL B 35 14.962 -3.387 -1.945 1.00 0.44 N ATOM 1961 CA VAL B 35 13.982 -2.346 -1.710 1.00 0.41 C ATOM 1962 C VAL B 35 13.397 -1.875 -3.039 1.00 0.42 C ATOM 1963 O VAL B 35 14.100 -1.314 -3.881 1.00 0.45 O ATOM 1964 CB VAL B 35 14.582 -1.151 -0.923 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.939 -0.749 -1.481 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.626 0.037 -0.919 1.00 0.40 C ATOM 0 H VAL B 35 15.743 -3.104 -2.537 1.00 0.44 H new ATOM 0 HA VAL B 35 13.187 -2.767 -1.095 1.00 0.41 H new ATOM 0 HB VAL B 35 14.726 -1.474 0.108 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.333 0.091 -0.909 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.626 -1.592 -1.409 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.831 -0.457 -2.526 1.00 0.42 H new ATOM 0 HG21 VAL B 35 14.071 0.860 -0.361 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.436 0.355 -1.944 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.686 -0.254 -0.449 1.00 0.40 H new ATOM 1976 N THR B 36 12.120 -2.145 -3.246 1.00 0.41 N ATOM 1977 CA THR B 36 11.451 -1.745 -4.470 1.00 0.43 C ATOM 1978 C THR B 36 10.794 -0.383 -4.288 1.00 0.39 C ATOM 1979 O THR B 36 9.852 -0.237 -3.509 1.00 0.40 O ATOM 1980 CB THR B 36 10.394 -2.781 -4.892 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.865 -4.105 -4.597 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.095 -2.666 -6.377 1.00 0.57 C ATOM 0 H THR B 36 11.526 -2.640 -2.581 1.00 0.41 H new ATOM 0 HA THR B 36 12.202 -1.683 -5.257 1.00 0.43 H new ATOM 0 HB THR B 36 9.478 -2.587 -4.334 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.188 -4.761 -4.866 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.346 -3.407 -6.656 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.717 -1.667 -6.596 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.008 -2.841 -6.947 1.00 0.57 H new ATOM 1990 N VAL B 37 11.292 0.610 -5.006 1.00 0.41 N ATOM 1991 CA VAL B 37 10.767 1.958 -4.905 1.00 0.40 C ATOM 1992 C VAL B 37 9.850 2.276 -6.080 1.00 0.43 C ATOM 1993 O VAL B 37 10.260 2.215 -7.242 1.00 0.51 O ATOM 1994 CB VAL B 37 11.907 3.002 -4.847 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.350 4.397 -4.600 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.921 2.632 -3.774 1.00 0.46 C ATOM 0 H VAL B 37 12.062 0.505 -5.667 1.00 0.41 H new ATOM 0 HA VAL B 37 10.194 2.011 -3.979 1.00 0.40 H new ATOM 0 HB VAL B 37 12.415 3.004 -5.812 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.170 5.115 -4.563 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.669 4.665 -5.408 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.812 4.411 -3.652 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.714 3.379 -3.750 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.427 2.596 -2.803 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.349 1.655 -3.999 1.00 0.46 H new ATOM 2006 N LYS B 38 8.598 2.580 -5.772 1.00 0.41 N ATOM 2007 CA LYS B 38 7.628 2.933 -6.789 1.00 0.46 C ATOM 2008 C LYS B 38 7.674 4.435 -7.031 1.00 0.50 C ATOM 2009 O LYS B 38 7.467 5.229 -6.111 1.00 0.63 O ATOM 2010 CB LYS B 38 6.225 2.493 -6.373 1.00 0.51 C ATOM 2011 CG LYS B 38 5.965 1.014 -6.614 1.00 0.65 C ATOM 2012 CD LYS B 38 5.625 0.279 -5.328 1.00 0.80 C ATOM 2013 CE LYS B 38 4.278 0.714 -4.773 1.00 1.18 C ATOM 2014 NZ LYS B 38 3.903 -0.031 -3.540 1.00 1.38 N ATOM 0 H LYS B 38 8.232 2.588 -4.820 1.00 0.41 H new ATOM 0 HA LYS B 38 7.876 2.415 -7.716 1.00 0.46 H new ATOM 0 HB2 LYS B 38 6.081 2.713 -5.315 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.489 3.079 -6.924 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.146 0.901 -7.324 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.846 0.560 -7.069 1.00 0.65 H new ATOM 0 HD2 LYS B 38 5.612 -0.795 -5.515 1.00 0.80 H new ATOM 0 HD3 LYS B 38 6.402 0.465 -4.586 1.00 0.80 H new ATOM 0 HE2 LYS B 38 4.306 1.781 -4.554 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.510 0.564 -5.532 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 2.887 0.094 -3.354 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 4.109 -1.042 -3.669 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 4.450 0.334 -2.734 1.00 1.38 H new ATOM 2028 N THR B 39 7.945 4.811 -8.269 1.00 0.55 N ATOM 2029 CA THR B 39 8.064 6.213 -8.640 1.00 0.60 C ATOM 2030 C THR B 39 6.971 6.597 -9.632 1.00 0.65 C ATOM 2031 O THR B 39 6.352 5.720 -10.237 1.00 0.67 O ATOM 2032 CB THR B 39 9.453 6.489 -9.272 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.636 5.679 -10.441 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.570 6.195 -8.279 1.00 0.68 C ATOM 0 H THR B 39 8.088 4.160 -9.041 1.00 0.55 H new ATOM 0 HA THR B 39 7.955 6.813 -7.737 1.00 0.60 H new ATOM 0 HB THR B 39 9.492 7.543 -9.547 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.984 4.947 -10.437 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.534 6.396 -8.746 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.453 6.830 -7.401 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.524 5.148 -7.979 1.00 0.68 H new ATOM 2042 N PRO B 40 6.695 7.906 -9.797 1.00 0.71 N ATOM 2043 CA PRO B 40 5.687 8.387 -10.755 1.00 0.78 C ATOM 2044 C PRO B 40 6.188 8.256 -12.190 1.00 0.81 C ATOM 2045 O PRO B 40 6.229 9.230 -12.949 1.00 0.87 O ATOM 2046 CB PRO B 40 5.518 9.863 -10.378 1.00 0.83 C ATOM 2047 CG PRO B 40 6.813 10.246 -9.758 1.00 0.85 C ATOM 2048 CD PRO B 40 7.314 9.020 -9.048 1.00 0.73 C ATOM 0 HA PRO B 40 4.757 7.820 -10.710 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.303 10.473 -11.255 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.690 10.002 -9.683 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.525 10.576 -10.515 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.682 11.074 -9.061 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.402 8.961 -9.069 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.015 9.013 -8.000 1.00 0.73 H new ATOM 2056 N LYS B 41 6.573 7.038 -12.543 1.00 0.82 N ATOM 2057 CA LYS B 41 7.096 6.733 -13.862 1.00 0.87 C ATOM 2058 C LYS B 41 7.212 5.226 -14.040 1.00 0.84 C ATOM 2059 O LYS B 41 6.563 4.638 -14.906 1.00 0.92 O ATOM 2060 CB LYS B 41 8.475 7.371 -14.033 1.00 0.93 C ATOM 2061 CG LYS B 41 8.691 8.046 -15.374 1.00 1.13 C ATOM 2062 CD LYS B 41 10.120 8.544 -15.491 1.00 1.21 C ATOM 2063 CE LYS B 41 10.231 9.754 -16.399 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.518 10.473 -16.201 1.00 1.37 N ATOM 0 H LYS B 41 6.530 6.232 -11.919 1.00 0.82 H new ATOM 0 HA LYS B 41 6.414 7.133 -14.612 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.622 8.106 -13.242 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.236 6.603 -13.900 1.00 0.93 H new ATOM 0 HG2 LYS B 41 8.476 7.345 -16.180 1.00 1.13 H new ATOM 0 HG3 LYS B 41 7.998 8.880 -15.484 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.497 8.799 -14.500 1.00 1.21 H new ATOM 0 HD3 LYS B 41 10.752 7.744 -15.876 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.147 9.438 -17.439 1.00 1.44 H new ATOM 0 HE3 LYS B 41 9.401 10.433 -16.204 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 11.559 11.294 -16.838 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 11.587 10.796 -15.215 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.310 9.832 -16.411 1.00 1.37 H new ATOM 2078 N GLU B 42 8.036 4.608 -13.202 1.00 0.77 N ATOM 2079 CA GLU B 42 8.269 3.171 -13.260 1.00 0.75 C ATOM 2080 C GLU B 42 8.520 2.610 -11.865 1.00 0.70 C ATOM 2081 O GLU B 42 8.462 3.335 -10.865 1.00 0.73 O ATOM 2082 CB GLU B 42 9.474 2.869 -14.156 1.00 0.83 C ATOM 2083 CG GLU B 42 9.137 2.775 -15.634 1.00 1.03 C ATOM 2084 CD GLU B 42 10.327 3.067 -16.524 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.406 2.465 -16.310 1.00 1.28 O ATOM 2086 OE2 GLU B 42 10.196 3.900 -17.441 1.00 1.41 O ATOM 0 H GLU B 42 8.558 5.086 -12.468 1.00 0.77 H new ATOM 0 HA GLU B 42 7.380 2.698 -13.676 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.224 3.647 -14.014 1.00 0.83 H new ATOM 0 HB3 GLU B 42 9.925 1.930 -13.836 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.760 1.776 -15.854 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.335 3.476 -15.865 1.00 1.03 H new ATOM 2093 N LYS B 43 8.798 1.320 -11.804 1.00 0.68 N ATOM 2094 CA LYS B 43 9.082 0.652 -10.547 1.00 0.64 C ATOM 2095 C LYS B 43 10.505 0.107 -10.583 1.00 0.63 C ATOM 2096 O LYS B 43 10.822 -0.749 -11.409 1.00 0.74 O ATOM 2097 CB LYS B 43 8.078 -0.484 -10.318 1.00 0.67 C ATOM 2098 CG LYS B 43 8.260 -1.204 -8.994 1.00 0.67 C ATOM 2099 CD LYS B 43 7.172 -2.247 -8.769 1.00 0.74 C ATOM 2100 CE LYS B 43 7.351 -3.459 -9.675 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.308 -4.495 -9.441 1.00 0.98 N ATOM 0 H LYS B 43 8.833 0.709 -12.620 1.00 0.68 H new ATOM 0 HA LYS B 43 8.990 1.361 -9.724 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.067 -0.078 -10.364 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.169 -1.206 -11.129 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.237 -1.686 -8.973 1.00 0.67 H new ATOM 0 HG3 LYS B 43 8.244 -0.479 -8.180 1.00 0.67 H new ATOM 0 HD2 LYS B 43 7.186 -2.567 -7.727 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.196 -1.798 -8.952 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.317 -3.140 -10.717 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.336 -3.894 -9.507 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.469 -5.300 -10.079 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.356 -4.820 -8.454 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.368 -4.090 -9.626 1.00 0.98 H new ATOM 2115 N GLU B 44 11.362 0.609 -9.708 1.00 0.59 N ATOM 2116 CA GLU B 44 12.751 0.169 -9.680 1.00 0.60 C ATOM 2117 C GLU B 44 13.114 -0.430 -8.328 1.00 0.56 C ATOM 2118 O GLU B 44 12.623 0.008 -7.288 1.00 0.60 O ATOM 2119 CB GLU B 44 13.678 1.344 -9.994 1.00 0.64 C ATOM 2120 CG GLU B 44 14.916 0.953 -10.785 1.00 0.81 C ATOM 2121 CD GLU B 44 14.575 0.386 -12.147 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.309 1.174 -13.078 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.581 -0.855 -12.299 1.00 1.24 O ATOM 0 H GLU B 44 11.125 1.316 -9.012 1.00 0.59 H new ATOM 0 HA GLU B 44 12.875 -0.604 -10.438 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.121 2.094 -10.555 1.00 0.64 H new ATOM 0 HB3 GLU B 44 13.988 1.811 -9.059 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.556 1.827 -10.908 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.487 0.216 -10.220 1.00 0.81 H new ATOM 2130 N GLU B 45 13.974 -1.434 -8.354 1.00 0.56 N ATOM 2131 CA GLU B 45 14.414 -2.096 -7.141 1.00 0.53 C ATOM 2132 C GLU B 45 15.887 -1.804 -6.885 1.00 0.55 C ATOM 2133 O GLU B 45 16.707 -1.854 -7.804 1.00 0.64 O ATOM 2134 CB GLU B 45 14.187 -3.603 -7.254 1.00 0.57 C ATOM 2135 CG GLU B 45 14.440 -4.355 -5.959 1.00 0.58 C ATOM 2136 CD GLU B 45 14.435 -5.853 -6.149 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.343 -6.460 -6.115 1.00 0.94 O ATOM 2138 OE2 GLU B 45 15.523 -6.430 -6.351 1.00 0.99 O ATOM 0 H GLU B 45 14.383 -1.810 -9.210 1.00 0.56 H new ATOM 0 HA GLU B 45 13.832 -1.714 -6.302 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.161 -3.784 -7.575 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.840 -4.003 -8.030 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.401 -4.048 -5.546 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.678 -4.082 -5.229 1.00 0.58 H new ATOM 2145 N PHE B 46 16.209 -1.479 -5.644 1.00 0.51 N ATOM 2146 CA PHE B 46 17.581 -1.186 -5.260 1.00 0.54 C ATOM 2147 C PHE B 46 18.073 -2.222 -4.256 1.00 0.54 C ATOM 2148 O PHE B 46 17.274 -2.928 -3.635 1.00 0.54 O ATOM 2149 CB PHE B 46 17.685 0.222 -4.664 1.00 0.53 C ATOM 2150 CG PHE B 46 17.421 1.318 -5.659 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.453 1.842 -6.418 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.141 1.819 -5.833 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.212 2.849 -7.335 1.00 0.90 C ATOM 2154 CE2 PHE B 46 15.894 2.823 -6.746 1.00 0.85 C ATOM 2155 CZ PHE B 46 16.930 3.340 -7.499 1.00 0.87 C ATOM 0 H PHE B 46 15.535 -1.411 -4.881 1.00 0.51 H new ATOM 0 HA PHE B 46 18.209 -1.229 -6.150 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.977 0.312 -3.840 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.682 0.357 -4.244 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.456 1.461 -6.293 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.327 1.419 -5.247 1.00 0.72 H new ATOM 0 HE1 PHE B 46 19.024 3.251 -7.922 1.00 0.90 H new ATOM 0 HE2 PHE B 46 14.891 3.204 -6.872 1.00 0.85 H new ATOM 0 HZ PHE B 46 16.739 4.126 -8.214 1.00 0.87 H new ATOM 2165 N ALA B 47 19.384 -2.307 -4.103 1.00 0.57 N ATOM 2166 CA ALA B 47 19.989 -3.259 -3.184 1.00 0.60 C ATOM 2167 C ALA B 47 20.931 -2.549 -2.225 1.00 0.60 C ATOM 2168 O ALA B 47 21.993 -2.065 -2.625 1.00 0.66 O ATOM 2169 CB ALA B 47 20.731 -4.335 -3.960 1.00 0.69 C ATOM 0 H ALA B 47 20.054 -1.725 -4.606 1.00 0.57 H new ATOM 0 HA ALA B 47 19.199 -3.731 -2.600 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.180 -5.042 -3.263 1.00 0.69 H new ATOM 0 HB2 ALA B 47 20.033 -4.861 -4.611 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.513 -3.874 -4.564 1.00 0.69 H new ATOM 2175 N VAL B 48 20.545 -2.483 -0.959 1.00 0.57 N ATOM 2176 CA VAL B 48 21.356 -1.816 0.049 1.00 0.59 C ATOM 2177 C VAL B 48 21.553 -2.700 1.278 1.00 0.58 C ATOM 2178 O VAL B 48 20.706 -3.537 1.591 1.00 0.57 O ATOM 2179 CB VAL B 48 20.729 -0.474 0.491 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.870 0.573 -0.604 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.265 -0.658 0.872 1.00 0.56 C ATOM 0 H VAL B 48 19.676 -2.883 -0.606 1.00 0.57 H new ATOM 0 HA VAL B 48 22.323 -1.620 -0.413 1.00 0.59 H new ATOM 0 HB VAL B 48 21.268 -0.124 1.371 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.422 1.510 -0.272 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.926 0.733 -0.821 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.363 0.228 -1.505 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.846 0.300 1.179 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.711 -1.038 0.014 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.190 -1.368 1.696 1.00 0.56 H new ATOM 2191 N PRO B 49 22.687 -2.535 1.982 1.00 0.62 N ATOM 2192 CA PRO B 49 22.990 -3.306 3.192 1.00 0.63 C ATOM 2193 C PRO B 49 22.070 -2.938 4.358 1.00 0.60 C ATOM 2194 O PRO B 49 21.554 -1.819 4.433 1.00 0.61 O ATOM 2195 CB PRO B 49 24.442 -2.930 3.517 1.00 0.69 C ATOM 2196 CG PRO B 49 24.966 -2.235 2.307 1.00 0.79 C ATOM 2197 CD PRO B 49 23.776 -1.602 1.650 1.00 0.67 C ATOM 0 HA PRO B 49 22.844 -4.375 3.035 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.491 -2.281 4.392 1.00 0.69 H new ATOM 0 HB3 PRO B 49 25.033 -3.817 3.745 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.708 -1.484 2.578 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.456 -2.938 1.634 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.584 -0.602 2.038 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.912 -1.506 0.573 1.00 0.67 H new ATOM 2205 N GLU B 50 21.873 -3.887 5.262 1.00 0.61 N ATOM 2206 CA GLU B 50 21.012 -3.695 6.422 1.00 0.61 C ATOM 2207 C GLU B 50 21.656 -2.762 7.452 1.00 0.67 C ATOM 2208 O GLU B 50 20.983 -2.241 8.340 1.00 1.01 O ATOM 2209 CB GLU B 50 20.702 -5.049 7.060 1.00 0.68 C ATOM 2210 CG GLU B 50 19.428 -5.062 7.890 1.00 0.86 C ATOM 2211 CD GLU B 50 18.967 -6.466 8.218 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.810 -7.390 8.235 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.759 -6.657 8.465 1.00 1.08 O ATOM 0 H GLU B 50 22.304 -4.810 5.213 1.00 0.61 H new ATOM 0 HA GLU B 50 20.087 -3.227 6.086 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.619 -5.800 6.274 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.540 -5.341 7.693 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.595 -4.512 8.816 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.639 -4.541 7.348 1.00 0.86 H new ATOM 2220 N ASN B 51 22.955 -2.548 7.324 1.00 0.67 N ATOM 2221 CA ASN B 51 23.685 -1.679 8.240 1.00 0.69 C ATOM 2222 C ASN B 51 23.932 -0.311 7.607 1.00 0.71 C ATOM 2223 O ASN B 51 25.035 0.233 7.671 1.00 0.96 O ATOM 2224 CB ASN B 51 25.020 -2.321 8.656 1.00 0.76 C ATOM 2225 CG ASN B 51 25.938 -2.612 7.480 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.488 -2.945 6.386 1.00 0.87 O ATOM 2227 ND2 ASN B 51 27.235 -2.486 7.700 1.00 1.20 N ATOM 0 H ASN B 51 23.530 -2.965 6.592 1.00 0.67 H new ATOM 0 HA ASN B 51 23.074 -1.543 9.132 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.533 -1.658 9.353 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.818 -3.250 9.189 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.900 -2.667 6.948 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.571 -2.207 8.622 1.00 1.20 H new ATOM 2234 N SER B 52 22.898 0.243 6.991 1.00 0.65 N ATOM 2235 CA SER B 52 23.005 1.543 6.346 1.00 0.67 C ATOM 2236 C SER B 52 21.877 2.469 6.790 1.00 0.63 C ATOM 2237 O SER B 52 20.772 2.017 7.103 1.00 0.68 O ATOM 2238 CB SER B 52 22.971 1.378 4.829 1.00 0.71 C ATOM 2239 OG SER B 52 23.997 0.501 4.392 1.00 0.86 O ATOM 0 H SER B 52 21.976 -0.187 6.924 1.00 0.65 H new ATOM 0 HA SER B 52 23.954 1.991 6.641 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.000 0.989 4.523 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.090 2.350 4.351 1.00 0.71 H new ATOM 0 HG SER B 52 24.389 0.844 3.562 1.00 0.86 H new ATOM 2245 N SER B 53 22.163 3.762 6.815 1.00 0.65 N ATOM 2246 CA SER B 53 21.180 4.757 7.204 1.00 0.64 C ATOM 2247 C SER B 53 20.392 5.229 5.983 1.00 0.57 C ATOM 2248 O SER B 53 20.799 4.987 4.843 1.00 0.58 O ATOM 2249 CB SER B 53 21.880 5.940 7.874 1.00 0.75 C ATOM 2250 OG SER B 53 22.891 5.497 8.763 1.00 0.89 O ATOM 0 H SER B 53 23.075 4.147 6.568 1.00 0.65 H new ATOM 0 HA SER B 53 20.483 4.310 7.912 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.318 6.586 7.113 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.149 6.538 8.418 1.00 0.75 H new ATOM 0 HG SER B 53 23.325 6.272 9.177 1.00 0.89 H new ATOM 2256 N VAL B 54 19.288 5.920 6.230 1.00 0.54 N ATOM 2257 CA VAL B 54 18.430 6.413 5.158 1.00 0.49 C ATOM 2258 C VAL B 54 19.096 7.545 4.378 1.00 0.48 C ATOM 2259 O VAL B 54 18.897 7.673 3.171 1.00 0.47 O ATOM 2260 CB VAL B 54 17.077 6.905 5.713 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.118 7.259 4.581 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.466 5.855 6.626 1.00 0.58 C ATOM 0 H VAL B 54 18.963 6.154 7.168 1.00 0.54 H new ATOM 0 HA VAL B 54 18.259 5.576 4.481 1.00 0.49 H new ATOM 0 HB VAL B 54 17.256 7.809 6.295 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.172 7.603 5.000 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.553 8.050 3.970 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.943 6.378 3.964 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.512 6.217 7.009 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.306 4.934 6.065 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.141 5.660 7.459 1.00 0.58 H new ATOM 2272 N GLN B 55 19.896 8.354 5.073 1.00 0.53 N ATOM 2273 CA GLN B 55 20.598 9.480 4.451 1.00 0.58 C ATOM 2274 C GLN B 55 21.398 9.035 3.228 1.00 0.58 C ATOM 2275 O GLN B 55 21.389 9.702 2.194 1.00 0.64 O ATOM 2276 CB GLN B 55 21.527 10.155 5.461 1.00 0.67 C ATOM 2277 CG GLN B 55 20.800 11.050 6.449 1.00 0.88 C ATOM 2278 CD GLN B 55 21.722 11.637 7.499 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.906 11.862 7.246 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.189 11.882 8.686 1.00 1.23 N ATOM 0 H GLN B 55 20.075 8.251 6.072 1.00 0.53 H new ATOM 0 HA GLN B 55 19.844 10.195 4.122 1.00 0.58 H new ATOM 0 HB2 GLN B 55 22.072 9.388 6.011 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.267 10.747 4.923 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.312 11.860 5.907 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.014 10.477 6.941 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.203 11.681 8.854 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.764 12.272 9.433 1.00 1.23 H new ATOM 2289 N GLN B 56 22.072 7.899 3.353 1.00 0.56 N ATOM 2290 CA GLN B 56 22.879 7.359 2.264 1.00 0.60 C ATOM 2291 C GLN B 56 21.993 6.949 1.089 1.00 0.55 C ATOM 2292 O GLN B 56 22.315 7.218 -0.073 1.00 0.62 O ATOM 2293 CB GLN B 56 23.690 6.156 2.751 1.00 0.65 C ATOM 2294 CG GLN B 56 24.985 5.934 1.981 1.00 0.80 C ATOM 2295 CD GLN B 56 26.083 6.896 2.390 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.868 6.612 3.296 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.150 8.037 1.724 1.00 1.27 N ATOM 0 H GLN B 56 22.076 7.331 4.200 1.00 0.56 H new ATOM 0 HA GLN B 56 23.565 8.137 1.928 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.925 6.292 3.807 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.074 5.260 2.674 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.326 4.911 2.140 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.791 6.043 0.914 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.480 8.233 0.980 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.871 8.720 1.954 1.00 1.27 H new ATOM 2306 N PHE B 57 20.868 6.315 1.406 1.00 0.50 N ATOM 2307 CA PHE B 57 19.922 5.854 0.396 1.00 0.49 C ATOM 2308 C PHE B 57 19.269 7.039 -0.316 1.00 0.47 C ATOM 2309 O PHE B 57 19.043 7.000 -1.527 1.00 0.49 O ATOM 2310 CB PHE B 57 18.855 4.964 1.045 1.00 0.48 C ATOM 2311 CG PHE B 57 17.950 4.272 0.063 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.472 3.504 -0.965 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.573 4.385 0.176 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.639 2.864 -1.863 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.735 3.747 -0.722 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.270 2.987 -1.741 1.00 0.64 C ATOM 0 H PHE B 57 20.588 6.107 2.365 1.00 0.50 H new ATOM 0 HA PHE B 57 20.464 5.270 -0.347 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.350 4.211 1.659 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.248 5.573 1.715 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.543 3.404 -1.066 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.149 4.977 0.974 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.059 2.268 -2.660 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.664 3.844 -0.625 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.618 2.488 -2.443 1.00 0.64 H new ATOM 2326 N LYS B 58 18.975 8.094 0.443 1.00 0.47 N ATOM 2327 CA LYS B 58 18.359 9.299 -0.106 1.00 0.48 C ATOM 2328 C LYS B 58 19.208 9.873 -1.235 1.00 0.49 C ATOM 2329 O LYS B 58 18.720 10.089 -2.348 1.00 0.53 O ATOM 2330 CB LYS B 58 18.183 10.356 0.990 1.00 0.53 C ATOM 2331 CG LYS B 58 17.037 10.069 1.952 1.00 0.62 C ATOM 2332 CD LYS B 58 17.084 10.981 3.172 1.00 0.70 C ATOM 2333 CE LYS B 58 16.856 12.437 2.799 1.00 0.77 C ATOM 2334 NZ LYS B 58 17.014 13.344 3.968 1.00 1.01 N ATOM 0 H LYS B 58 19.155 8.137 1.446 1.00 0.47 H new ATOM 0 HA LYS B 58 17.381 9.026 -0.503 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.110 10.432 1.558 1.00 0.53 H new ATOM 0 HB3 LYS B 58 18.016 11.326 0.521 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.086 10.201 1.435 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.083 9.028 2.273 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.326 10.667 3.890 1.00 0.70 H new ATOM 0 HD3 LYS B 58 18.051 10.879 3.665 1.00 0.70 H new ATOM 0 HE2 LYS B 58 17.560 12.726 2.019 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.855 12.552 2.384 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.522 14.241 3.781 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.607 12.895 4.813 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 18.024 13.531 4.128 1.00 1.01 H new ATOM 2348 N GLU B 59 20.486 10.098 -0.945 1.00 0.51 N ATOM 2349 CA GLU B 59 21.406 10.650 -1.930 1.00 0.56 C ATOM 2350 C GLU B 59 21.590 9.699 -3.107 1.00 0.57 C ATOM 2351 O GLU B 59 21.800 10.136 -4.240 1.00 0.65 O ATOM 2352 CB GLU B 59 22.756 10.955 -1.287 1.00 0.63 C ATOM 2353 CG GLU B 59 22.693 12.068 -0.253 1.00 1.06 C ATOM 2354 CD GLU B 59 23.979 12.858 -0.166 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.834 12.724 -1.071 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.140 13.632 0.799 1.00 1.14 O ATOM 0 H GLU B 59 20.907 9.906 -0.036 1.00 0.51 H new ATOM 0 HA GLU B 59 20.974 11.578 -2.306 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.138 10.050 -0.814 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.467 11.232 -2.065 1.00 0.63 H new ATOM 0 HG2 GLU B 59 21.873 12.742 -0.501 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.468 11.639 0.723 1.00 1.06 H new ATOM 2363 N ALA B 60 21.500 8.403 -2.838 1.00 0.55 N ATOM 2364 CA ALA B 60 21.656 7.390 -3.875 1.00 0.57 C ATOM 2365 C ALA B 60 20.569 7.517 -4.937 1.00 0.56 C ATOM 2366 O ALA B 60 20.854 7.518 -6.135 1.00 0.59 O ATOM 2367 CB ALA B 60 21.636 6.002 -3.260 1.00 0.59 C ATOM 0 H ALA B 60 21.319 8.027 -1.907 1.00 0.55 H new ATOM 0 HA ALA B 60 22.619 7.547 -4.360 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.753 5.255 -4.045 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.454 5.909 -2.545 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.687 5.845 -2.748 1.00 0.59 H new ATOM 2373 N ILE B 61 19.323 7.646 -4.494 1.00 0.52 N ATOM 2374 CA ILE B 61 18.200 7.770 -5.414 1.00 0.52 C ATOM 2375 C ILE B 61 18.327 9.038 -6.252 1.00 0.55 C ATOM 2376 O ILE B 61 18.115 9.015 -7.464 1.00 0.59 O ATOM 2377 CB ILE B 61 16.843 7.779 -4.677 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.720 6.555 -3.766 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.694 7.811 -5.679 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.453 6.542 -2.939 1.00 0.56 C ATOM 0 H ILE B 61 19.066 7.667 -3.507 1.00 0.52 H new ATOM 0 HA ILE B 61 18.229 6.896 -6.064 1.00 0.52 H new ATOM 0 HB ILE B 61 16.792 8.676 -4.060 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.755 5.653 -4.377 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.581 6.521 -3.098 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.745 7.817 -5.144 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.771 8.709 -6.292 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.744 6.930 -6.319 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.433 5.647 -2.318 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.425 7.426 -2.302 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.587 6.544 -3.601 1.00 0.56 H new ATOM 2392 N SER B 62 18.702 10.138 -5.614 1.00 0.55 N ATOM 2393 CA SER B 62 18.848 11.407 -6.318 1.00 0.59 C ATOM 2394 C SER B 62 20.052 11.401 -7.254 1.00 0.63 C ATOM 2395 O SER B 62 20.168 12.259 -8.125 1.00 0.70 O ATOM 2396 CB SER B 62 18.967 12.557 -5.323 1.00 0.61 C ATOM 2397 OG SER B 62 19.800 12.217 -4.229 1.00 0.70 O ATOM 0 H SER B 62 18.910 10.179 -4.616 1.00 0.55 H new ATOM 0 HA SER B 62 17.954 11.547 -6.925 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.369 13.435 -5.828 1.00 0.61 H new ATOM 0 HB3 SER B 62 17.976 12.826 -4.957 1.00 0.61 H new ATOM 0 HG SER B 62 20.485 11.582 -4.525 1.00 0.70 H new ATOM 2403 N LYS B 63 20.948 10.443 -7.076 1.00 0.63 N ATOM 2404 CA LYS B 63 22.130 10.359 -7.917 1.00 0.69 C ATOM 2405 C LYS B 63 21.882 9.447 -9.116 1.00 0.71 C ATOM 2406 O LYS B 63 22.326 9.736 -10.225 1.00 0.82 O ATOM 2407 CB LYS B 63 23.324 9.856 -7.109 1.00 0.72 C ATOM 2408 CG LYS B 63 24.667 10.314 -7.654 1.00 0.84 C ATOM 2409 CD LYS B 63 24.866 11.812 -7.473 1.00 1.00 C ATOM 2410 CE LYS B 63 26.241 12.255 -7.943 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.455 11.990 -9.391 1.00 1.28 N ATOM 0 H LYS B 63 20.880 9.718 -6.362 1.00 0.63 H new ATOM 0 HA LYS B 63 22.353 11.359 -8.288 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.224 10.198 -6.079 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.303 8.766 -7.087 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.468 9.776 -7.147 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.735 10.063 -8.713 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.100 12.351 -8.030 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.739 12.072 -6.422 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.363 13.321 -7.749 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.005 11.736 -7.364 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.339 12.443 -9.700 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 26.517 10.964 -9.551 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 25.659 12.378 -9.936 1.00 1.28 H new ATOM 2425 N ARG B 64 21.169 8.352 -8.886 1.00 0.67 N ATOM 2426 CA ARG B 64 20.868 7.395 -9.949 1.00 0.70 C ATOM 2427 C ARG B 64 19.647 7.825 -10.753 1.00 0.70 C ATOM 2428 O ARG B 64 19.702 7.914 -11.979 1.00 0.75 O ATOM 2429 CB ARG B 64 20.647 5.997 -9.364 1.00 0.70 C ATOM 2430 CG ARG B 64 21.905 5.378 -8.770 1.00 0.72 C ATOM 2431 CD ARG B 64 22.943 5.050 -9.841 1.00 0.81 C ATOM 2432 NE ARG B 64 23.705 6.227 -10.258 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.845 6.616 -9.691 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.368 5.925 -8.682 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.453 7.710 -10.126 1.00 1.07 N ATOM 0 H ARG B 64 20.787 8.102 -7.974 1.00 0.67 H new ATOM 0 HA ARG B 64 21.725 7.367 -10.623 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.880 6.053 -8.591 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.264 5.341 -10.146 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.339 6.065 -8.044 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.641 4.468 -8.230 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.628 4.293 -9.459 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.443 4.619 -10.708 1.00 0.81 H new ATOM 0 HE ARG B 64 23.340 6.784 -11.031 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.895 5.090 -8.337 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.242 6.230 -8.254 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.047 8.249 -10.891 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.327 8.013 -9.696 1.00 1.07 H new ATOM 2449 N PHE B 65 18.555 8.102 -10.058 1.00 0.67 N ATOM 2450 CA PHE B 65 17.321 8.517 -10.712 1.00 0.68 C ATOM 2451 C PHE B 65 17.383 9.988 -11.084 1.00 0.70 C ATOM 2452 O PHE B 65 16.916 10.385 -12.152 1.00 0.75 O ATOM 2453 CB PHE B 65 16.123 8.263 -9.798 1.00 0.66 C ATOM 2454 CG PHE B 65 15.233 7.148 -10.266 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.675 5.834 -10.249 1.00 0.88 C ATOM 2456 CD2 PHE B 65 13.953 7.416 -10.723 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.854 4.810 -10.680 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.130 6.396 -11.155 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.581 5.091 -11.134 1.00 1.00 C ATOM 0 H PHE B 65 18.497 8.047 -9.041 1.00 0.67 H new ATOM 0 HA PHE B 65 17.203 7.929 -11.622 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.484 8.032 -8.796 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.535 9.178 -9.722 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.670 5.609 -9.896 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.595 8.435 -10.741 1.00 0.82 H new ATOM 0 HE1 PHE B 65 15.208 3.790 -10.662 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.134 6.618 -11.509 1.00 0.97 H new ATOM 0 HZ PHE B 65 12.939 4.291 -11.472 1.00 1.00 H new ATOM 2469 N LYS B 66 17.980 10.781 -10.192 1.00 0.68 N ATOM 2470 CA LYS B 66 18.120 12.225 -10.376 1.00 0.71 C ATOM 2471 C LYS B 66 16.749 12.898 -10.392 1.00 0.70 C ATOM 2472 O LYS B 66 16.074 12.948 -11.420 1.00 0.83 O ATOM 2473 CB LYS B 66 18.900 12.553 -11.657 1.00 0.79 C ATOM 2474 CG LYS B 66 19.240 14.030 -11.803 1.00 0.93 C ATOM 2475 CD LYS B 66 20.139 14.290 -13.003 1.00 1.05 C ATOM 2476 CE LYS B 66 19.466 13.888 -14.309 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.213 14.382 -15.495 1.00 1.27 N ATOM 0 H LYS B 66 18.381 10.438 -9.319 1.00 0.68 H new ATOM 0 HA LYS B 66 18.689 12.616 -9.533 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.823 11.974 -11.669 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.314 12.237 -12.520 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.320 14.606 -11.907 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.734 14.380 -10.897 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.401 15.347 -13.039 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.070 13.735 -12.887 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.387 12.802 -14.357 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.450 14.283 -14.330 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.721 14.087 -16.363 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.267 15.420 -15.464 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.174 13.985 -15.490 1.00 1.27 H new ATOM 2491 N SER B 67 16.347 13.409 -9.238 1.00 0.66 N ATOM 2492 CA SER B 67 15.059 14.068 -9.094 1.00 0.68 C ATOM 2493 C SER B 67 15.120 15.074 -7.946 1.00 0.69 C ATOM 2494 O SER B 67 15.100 16.285 -8.167 1.00 0.90 O ATOM 2495 CB SER B 67 13.960 13.028 -8.835 1.00 0.68 C ATOM 2496 OG SER B 67 12.745 13.379 -9.480 1.00 1.34 O ATOM 0 H SER B 67 16.900 13.379 -8.381 1.00 0.66 H new ATOM 0 HA SER B 67 14.823 14.598 -10.017 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.292 12.052 -9.189 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.790 12.937 -7.762 1.00 0.68 H new ATOM 0 HG SER B 67 12.068 12.695 -9.296 1.00 1.34 H new ATOM 2502 N GLN B 68 15.218 14.563 -6.725 1.00 0.59 N ATOM 2503 CA GLN B 68 15.292 15.401 -5.538 1.00 0.59 C ATOM 2504 C GLN B 68 15.931 14.611 -4.402 1.00 0.54 C ATOM 2505 O GLN B 68 16.041 13.389 -4.489 1.00 0.52 O ATOM 2506 CB GLN B 68 13.896 15.892 -5.132 1.00 0.64 C ATOM 2507 CG GLN B 68 13.695 17.384 -5.343 1.00 0.79 C ATOM 2508 CD GLN B 68 12.393 17.710 -6.041 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.903 16.938 -6.867 1.00 1.14 O ATOM 2510 NE2 GLN B 68 11.837 18.866 -5.731 1.00 1.09 N ATOM 0 H GLN B 68 15.248 13.562 -6.532 1.00 0.59 H new ATOM 0 HA GLN B 68 15.904 16.276 -5.757 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.146 15.347 -5.706 1.00 0.64 H new ATOM 0 HB3 GLN B 68 13.727 15.655 -4.082 1.00 0.64 H new ATOM 0 HG2 GLN B 68 13.720 17.889 -4.377 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.525 17.778 -5.930 1.00 0.79 H new ATOM 0 HE21 GLN B 68 12.277 19.475 -5.041 1.00 1.09 H new ATOM 0 HE22 GLN B 68 10.967 19.151 -6.181 1.00 1.09 H new ATOM 2519 N THR B 69 16.362 15.301 -3.357 1.00 0.56 N ATOM 2520 CA THR B 69 16.991 14.644 -2.222 1.00 0.56 C ATOM 2521 C THR B 69 16.261 14.976 -0.921 1.00 0.54 C ATOM 2522 O THR B 69 15.750 14.087 -0.243 1.00 0.55 O ATOM 2523 CB THR B 69 18.476 15.045 -2.100 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.110 14.982 -3.385 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.205 14.131 -1.127 1.00 0.70 C ATOM 0 H THR B 69 16.288 16.315 -3.272 1.00 0.56 H new ATOM 0 HA THR B 69 16.931 13.570 -2.395 1.00 0.56 H new ATOM 0 HB THR B 69 18.522 16.066 -1.722 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.052 15.240 -3.298 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.250 14.433 -1.057 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.741 14.202 -0.143 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.148 13.102 -1.482 1.00 0.70 H new ATOM 2533 N ASP B 70 16.199 16.259 -0.589 1.00 0.56 N ATOM 2534 CA ASP B 70 15.532 16.694 0.636 1.00 0.58 C ATOM 2535 C ASP B 70 14.020 16.557 0.512 1.00 0.55 C ATOM 2536 O ASP B 70 13.344 16.124 1.448 1.00 0.57 O ATOM 2537 CB ASP B 70 15.893 18.142 0.961 1.00 0.66 C ATOM 2538 CG ASP B 70 15.148 18.672 2.175 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.381 18.168 3.295 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.330 19.607 2.017 1.00 0.95 O ATOM 0 H ASP B 70 16.599 17.014 -1.146 1.00 0.56 H new ATOM 0 HA ASP B 70 15.876 16.051 1.447 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.966 18.214 1.138 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.669 18.771 0.099 1.00 0.66 H new ATOM 2545 N GLN B 71 13.491 16.913 -0.649 1.00 0.56 N ATOM 2546 CA GLN B 71 12.056 16.831 -0.888 1.00 0.58 C ATOM 2547 C GLN B 71 11.630 15.396 -1.187 1.00 0.54 C ATOM 2548 O GLN B 71 10.441 15.090 -1.243 1.00 0.66 O ATOM 2549 CB GLN B 71 11.654 17.747 -2.042 1.00 0.65 C ATOM 2550 CG GLN B 71 10.475 18.648 -1.714 1.00 0.83 C ATOM 2551 CD GLN B 71 10.263 19.721 -2.760 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.451 19.572 -3.675 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.004 20.808 -2.642 1.00 1.18 N ATOM 0 H GLN B 71 14.032 17.261 -1.440 1.00 0.56 H new ATOM 0 HA GLN B 71 11.547 17.158 0.018 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.508 18.365 -2.320 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.405 17.137 -2.911 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.572 18.044 -1.628 1.00 0.83 H new ATOM 0 HG3 GLN B 71 10.638 19.117 -0.744 1.00 0.83 H new ATOM 0 HE21 GLN B 71 11.665 20.893 -1.870 1.00 1.18 H new ATOM 0 HE22 GLN B 71 10.915 21.562 -3.323 1.00 1.18 H new ATOM 2562 N LEU B 72 12.608 14.519 -1.361 1.00 0.51 N ATOM 2563 CA LEU B 72 12.336 13.122 -1.659 1.00 0.49 C ATOM 2564 C LEU B 72 11.986 12.365 -0.382 1.00 0.43 C ATOM 2565 O LEU B 72 12.836 12.171 0.487 1.00 0.51 O ATOM 2566 CB LEU B 72 13.546 12.484 -2.340 1.00 0.57 C ATOM 2567 CG LEU B 72 13.210 11.456 -3.417 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.574 12.131 -4.625 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.457 10.684 -3.824 1.00 1.00 C ATOM 0 H LEU B 72 13.599 14.752 -1.301 1.00 0.51 H new ATOM 0 HA LEU B 72 11.484 13.069 -2.337 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.151 13.273 -2.787 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.161 12.004 -1.579 1.00 0.57 H new ATOM 0 HG LEU B 72 12.489 10.749 -3.006 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.342 11.381 -5.381 1.00 0.88 H new ATOM 0 HD12 LEU B 72 11.656 12.634 -4.320 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.268 12.862 -5.040 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.199 9.955 -4.593 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.202 11.377 -4.216 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.864 10.166 -2.955 1.00 1.00 H new ATOM 2581 N VAL B 73 10.734 11.952 -0.265 1.00 0.37 N ATOM 2582 CA VAL B 73 10.281 11.230 0.917 1.00 0.35 C ATOM 2583 C VAL B 73 9.806 9.828 0.549 1.00 0.30 C ATOM 2584 O VAL B 73 9.131 9.641 -0.469 1.00 0.31 O ATOM 2585 CB VAL B 73 9.133 11.982 1.632 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.874 11.397 3.015 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.442 13.468 1.731 1.00 0.55 C ATOM 0 H VAL B 73 10.014 12.103 -0.971 1.00 0.37 H new ATOM 0 HA VAL B 73 11.132 11.159 1.594 1.00 0.35 H new ATOM 0 HB VAL B 73 8.229 11.857 1.036 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.063 11.944 3.495 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.597 10.347 2.920 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.776 11.481 3.620 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.622 13.977 2.237 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.362 13.611 2.297 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.564 13.882 0.730 1.00 0.55 H new ATOM 2597 N LEU B 74 10.172 8.851 1.376 1.00 0.30 N ATOM 2598 CA LEU B 74 9.774 7.467 1.151 1.00 0.29 C ATOM 2599 C LEU B 74 8.434 7.210 1.827 1.00 0.28 C ATOM 2600 O LEU B 74 8.022 7.968 2.706 1.00 0.36 O ATOM 2601 CB LEU B 74 10.828 6.489 1.698 1.00 0.33 C ATOM 2602 CG LEU B 74 11.979 6.132 0.746 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.447 5.583 -0.571 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.876 7.338 0.502 1.00 0.64 C ATOM 0 H LEU B 74 10.744 8.994 2.208 1.00 0.30 H new ATOM 0 HA LEU B 74 9.686 7.304 0.077 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.254 6.917 2.606 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.323 5.567 1.986 1.00 0.33 H new ATOM 0 HG LEU B 74 12.576 5.354 1.221 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.282 5.338 -1.227 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.860 4.685 -0.380 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.817 6.333 -1.050 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.684 7.060 -0.175 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.291 8.143 0.057 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.297 7.676 1.449 1.00 0.64 H new ATOM 2616 N ILE B 75 7.758 6.148 1.420 1.00 0.29 N ATOM 2617 CA ILE B 75 6.455 5.811 1.978 1.00 0.33 C ATOM 2618 C ILE B 75 6.324 4.312 2.204 1.00 0.31 C ATOM 2619 O ILE B 75 6.582 3.521 1.299 1.00 0.36 O ATOM 2620 CB ILE B 75 5.323 6.264 1.034 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.208 7.784 1.029 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.999 5.627 1.429 1.00 0.54 C ATOM 2623 CD1 ILE B 75 4.722 8.335 -0.288 1.00 0.74 C ATOM 0 H ILE B 75 8.090 5.502 0.704 1.00 0.29 H new ATOM 0 HA ILE B 75 6.371 6.330 2.933 1.00 0.33 H new ATOM 0 HB ILE B 75 5.569 5.933 0.025 1.00 0.43 H new ATOM 0 HG12 ILE B 75 4.525 8.094 1.820 1.00 0.47 H new ATOM 0 HG13 ILE B 75 6.181 8.217 1.261 1.00 0.47 H new ATOM 0 HG21 ILE B 75 3.217 5.962 0.748 1.00 0.54 H new ATOM 0 HG22 ILE B 75 4.087 4.542 1.375 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.744 5.920 2.447 1.00 0.54 H new ATOM 0 HD11 ILE B 75 4.661 9.422 -0.228 1.00 0.74 H new ATOM 0 HD12 ILE B 75 5.417 8.054 -1.079 1.00 0.74 H new ATOM 0 HD13 ILE B 75 3.735 7.928 -0.511 1.00 0.74 H new ATOM 2635 N PHE B 76 5.913 3.929 3.403 1.00 0.31 N ATOM 2636 CA PHE B 76 5.729 2.525 3.723 1.00 0.35 C ATOM 2637 C PHE B 76 4.300 2.263 4.191 1.00 0.31 C ATOM 2638 O PHE B 76 4.027 2.187 5.389 1.00 0.40 O ATOM 2639 CB PHE B 76 6.739 2.061 4.779 1.00 0.48 C ATOM 2640 CG PHE B 76 6.592 0.610 5.152 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.430 -0.359 4.172 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.604 0.219 6.480 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.282 -1.688 4.512 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.459 -1.111 6.825 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.297 -2.066 5.839 1.00 0.78 C ATOM 0 H PHE B 76 5.701 4.570 4.168 1.00 0.31 H new ATOM 0 HA PHE B 76 5.906 1.948 2.815 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.748 2.232 4.405 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.623 2.672 5.674 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.420 -0.070 3.132 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.728 0.961 7.254 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.154 -2.432 3.740 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.472 -1.404 7.864 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.182 -3.106 6.107 1.00 0.78 H new ATOM 2655 N ALA B 77 3.391 2.176 3.222 1.00 0.40 N ATOM 2656 CA ALA B 77 1.977 1.894 3.473 1.00 0.48 C ATOM 2657 C ALA B 77 1.350 2.852 4.482 1.00 0.41 C ATOM 2658 O ALA B 77 1.203 2.524 5.662 1.00 0.44 O ATOM 2659 CB ALA B 77 1.796 0.449 3.929 1.00 0.62 C ATOM 0 H ALA B 77 3.615 2.300 2.235 1.00 0.40 H new ATOM 0 HA ALA B 77 1.454 2.045 2.529 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.739 0.255 4.112 1.00 0.62 H new ATOM 0 HB2 ALA B 77 2.160 -0.225 3.154 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.359 0.284 4.848 1.00 0.62 H new ATOM 2665 N GLY B 78 0.974 4.036 4.011 1.00 0.46 N ATOM 2666 CA GLY B 78 0.346 5.018 4.875 1.00 0.54 C ATOM 2667 C GLY B 78 1.269 5.560 5.949 1.00 0.50 C ATOM 2668 O GLY B 78 0.822 5.887 7.051 1.00 0.63 O ATOM 0 H GLY B 78 1.094 4.334 3.043 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.016 5.847 4.266 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.525 4.567 5.350 1.00 0.54 H new ATOM 2672 N LYS B 79 2.553 5.654 5.638 1.00 0.42 N ATOM 2673 CA LYS B 79 3.532 6.162 6.586 1.00 0.43 C ATOM 2674 C LYS B 79 4.704 6.785 5.843 1.00 0.39 C ATOM 2675 O LYS B 79 5.190 6.219 4.864 1.00 0.43 O ATOM 2676 CB LYS B 79 4.025 5.037 7.498 1.00 0.50 C ATOM 2677 CG LYS B 79 3.657 5.229 8.961 1.00 0.72 C ATOM 2678 CD LYS B 79 2.289 5.881 9.113 1.00 1.16 C ATOM 2679 CE LYS B 79 1.718 5.658 10.507 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.355 6.233 10.656 1.00 2.02 N ATOM 0 H LYS B 79 2.942 5.384 4.734 1.00 0.42 H new ATOM 0 HA LYS B 79 3.057 6.926 7.202 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.610 4.091 7.150 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.109 4.961 7.412 1.00 0.50 H new ATOM 0 HG2 LYS B 79 3.659 4.264 9.467 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.411 5.846 9.449 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.371 6.950 8.919 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.605 5.473 8.369 1.00 1.16 H new ATOM 0 HE2 LYS B 79 1.684 4.589 10.717 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.382 6.107 11.246 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 -0.222 5.608 11.255 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.421 7.172 11.098 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 -0.089 6.321 9.720 1.00 2.02 H new ATOM 2694 N ILE B 80 5.148 7.948 6.302 1.00 0.37 N ATOM 2695 CA ILE B 80 6.264 8.638 5.670 1.00 0.39 C ATOM 2696 C ILE B 80 7.589 8.165 6.252 1.00 0.39 C ATOM 2697 O ILE B 80 7.734 8.021 7.467 1.00 0.61 O ATOM 2698 CB ILE B 80 6.166 10.174 5.819 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.949 10.570 7.282 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.045 10.719 4.953 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.047 12.061 7.531 1.00 1.18 C ATOM 0 H ILE B 80 4.753 8.432 7.108 1.00 0.37 H new ATOM 0 HA ILE B 80 6.217 8.395 4.608 1.00 0.39 H new ATOM 0 HB ILE B 80 7.109 10.608 5.486 1.00 0.52 H new ATOM 0 HG12 ILE B 80 4.967 10.221 7.602 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.686 10.058 7.901 1.00 0.67 H new ATOM 0 HG21 ILE B 80 4.989 11.801 5.069 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.241 10.476 3.909 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.099 10.272 5.258 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.882 12.265 8.589 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.038 12.414 7.244 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.292 12.579 6.940 1.00 1.18 H new ATOM 2713 N LEU B 81 8.541 7.904 5.379 1.00 0.30 N ATOM 2714 CA LEU B 81 9.856 7.453 5.798 1.00 0.34 C ATOM 2715 C LEU B 81 10.911 8.470 5.390 1.00 0.36 C ATOM 2716 O LEU B 81 10.901 8.973 4.263 1.00 0.46 O ATOM 2717 CB LEU B 81 10.172 6.089 5.190 1.00 0.44 C ATOM 2718 CG LEU B 81 9.862 4.888 6.086 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.367 4.764 6.333 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.406 3.612 5.465 1.00 0.78 C ATOM 0 H LEU B 81 8.429 7.997 4.369 1.00 0.30 H new ATOM 0 HA LEU B 81 9.862 7.356 6.884 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.610 5.984 4.262 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.230 6.062 4.927 1.00 0.44 H new ATOM 0 HG LEU B 81 10.351 5.046 7.047 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.174 3.903 6.972 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.003 5.668 6.822 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.851 4.633 5.382 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.178 2.766 6.113 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.945 3.456 4.490 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.486 3.697 5.346 1.00 0.78 H new ATOM 2732 N LYS B 82 11.819 8.762 6.303 1.00 0.39 N ATOM 2733 CA LYS B 82 12.877 9.731 6.055 1.00 0.47 C ATOM 2734 C LYS B 82 14.115 9.363 6.868 1.00 0.49 C ATOM 2735 O LYS B 82 14.215 8.253 7.385 1.00 0.63 O ATOM 2736 CB LYS B 82 12.396 11.138 6.431 1.00 0.54 C ATOM 2737 CG LYS B 82 12.816 12.217 5.443 1.00 0.94 C ATOM 2738 CD LYS B 82 12.472 13.615 5.948 1.00 1.01 C ATOM 2739 CE LYS B 82 11.002 13.952 5.742 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.725 15.404 5.930 1.00 1.35 N ATOM 0 H LYS B 82 11.847 8.339 7.231 1.00 0.39 H new ATOM 0 HA LYS B 82 13.133 9.719 4.996 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.309 11.132 6.507 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.783 11.392 7.418 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.889 12.149 5.265 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.323 12.045 4.486 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.715 13.687 7.008 1.00 1.01 H new ATOM 0 HD3 LYS B 82 13.088 14.349 5.429 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.700 13.653 4.738 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.397 13.375 6.442 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.712 15.586 5.780 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.988 15.685 6.896 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 11.281 15.955 5.245 1.00 1.35 H new ATOM 2754 N ASP B 83 15.049 10.300 6.987 1.00 0.60 N ATOM 2755 CA ASP B 83 16.278 10.075 7.746 1.00 0.68 C ATOM 2756 C ASP B 83 15.998 10.094 9.245 1.00 0.68 C ATOM 2757 O ASP B 83 16.848 9.716 10.053 1.00 0.89 O ATOM 2758 CB ASP B 83 17.330 11.130 7.393 1.00 0.88 C ATOM 2759 CG ASP B 83 16.774 12.537 7.414 1.00 1.20 C ATOM 2760 OD1 ASP B 83 16.099 12.919 6.431 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.008 13.264 8.405 1.00 1.52 O ATOM 0 H ASP B 83 14.980 11.227 6.567 1.00 0.60 H new ATOM 0 HA ASP B 83 16.665 9.092 7.478 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.159 11.061 8.097 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.734 10.918 6.403 1.00 0.88 H new ATOM 2766 N GLN B 84 14.800 10.532 9.604 1.00 0.60 N ATOM 2767 CA GLN B 84 14.390 10.592 11.000 1.00 0.67 C ATOM 2768 C GLN B 84 14.218 9.186 11.566 1.00 0.61 C ATOM 2769 O GLN B 84 14.512 8.931 12.738 1.00 0.81 O ATOM 2770 CB GLN B 84 13.087 11.379 11.125 1.00 0.77 C ATOM 2771 CG GLN B 84 13.238 12.857 10.805 1.00 0.93 C ATOM 2772 CD GLN B 84 11.925 13.513 10.426 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.858 13.076 10.852 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.989 14.560 9.618 1.00 1.28 N ATOM 0 H GLN B 84 14.091 10.853 8.944 1.00 0.60 H new ATOM 0 HA GLN B 84 15.166 11.099 11.573 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.344 10.945 10.456 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.703 11.272 12.140 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.659 13.370 11.670 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.948 12.976 9.987 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.894 14.893 9.286 1.00 1.28 H new ATOM 0 HE22 GLN B 84 11.133 15.034 9.328 1.00 1.28 H new ATOM 2783 N ASP B 85 13.753 8.275 10.724 1.00 0.52 N ATOM 2784 CA ASP B 85 13.547 6.889 11.120 1.00 0.51 C ATOM 2785 C ASP B 85 14.574 6.001 10.419 1.00 0.44 C ATOM 2786 O ASP B 85 15.607 6.492 9.965 1.00 0.48 O ATOM 2787 CB ASP B 85 12.116 6.436 10.798 1.00 0.61 C ATOM 2788 CG ASP B 85 11.831 6.374 9.312 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.667 7.445 8.689 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.761 5.251 8.767 1.00 0.86 O ATOM 0 H ASP B 85 13.509 8.473 9.754 1.00 0.52 H new ATOM 0 HA ASP B 85 13.683 6.802 12.198 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.946 5.452 11.236 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.410 7.121 11.269 1.00 0.61 H new ATOM 2795 N THR B 86 14.312 4.705 10.343 1.00 0.49 N ATOM 2796 CA THR B 86 15.242 3.791 9.701 1.00 0.47 C ATOM 2797 C THR B 86 14.527 2.825 8.759 1.00 0.42 C ATOM 2798 O THR B 86 13.660 2.050 9.176 1.00 0.41 O ATOM 2799 CB THR B 86 16.042 2.992 10.745 1.00 0.54 C ATOM 2800 OG1 THR B 86 15.873 3.575 12.047 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.520 2.964 10.389 1.00 0.67 C ATOM 0 H THR B 86 13.470 4.266 10.715 1.00 0.49 H new ATOM 0 HA THR B 86 15.928 4.401 9.114 1.00 0.47 H new ATOM 0 HB THR B 86 15.665 1.969 10.752 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.384 3.059 12.705 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.065 2.394 11.141 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.650 2.495 9.414 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.906 3.983 10.356 1.00 0.67 H new ATOM 2809 N LEU B 87 14.917 2.873 7.489 1.00 0.43 N ATOM 2810 CA LEU B 87 14.334 2.021 6.457 1.00 0.42 C ATOM 2811 C LEU B 87 14.587 0.548 6.757 1.00 0.42 C ATOM 2812 O LEU B 87 13.687 -0.277 6.652 1.00 0.44 O ATOM 2813 CB LEU B 87 14.930 2.381 5.091 1.00 0.51 C ATOM 2814 CG LEU B 87 14.435 1.544 3.906 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.089 2.052 3.414 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.456 1.563 2.778 1.00 0.66 C ATOM 0 H LEU B 87 15.644 3.501 7.147 1.00 0.43 H new ATOM 0 HA LEU B 87 13.257 2.188 6.442 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.714 3.430 4.886 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.014 2.285 5.152 1.00 0.51 H new ATOM 0 HG LEU B 87 14.310 0.515 4.243 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.756 1.444 2.573 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.359 1.987 4.220 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.186 3.090 3.096 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.089 0.964 1.945 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.612 2.589 2.446 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.399 1.149 3.134 1.00 0.66 H new ATOM 2828 N ILE B 88 15.812 0.231 7.152 1.00 0.47 N ATOM 2829 CA ILE B 88 16.195 -1.151 7.455 1.00 0.53 C ATOM 2830 C ILE B 88 15.599 -1.650 8.775 1.00 0.54 C ATOM 2831 O ILE B 88 15.711 -2.828 9.106 1.00 0.66 O ATOM 2832 CB ILE B 88 17.734 -1.304 7.507 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.370 -0.211 8.375 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.315 -1.267 6.101 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.509 -0.587 9.835 1.00 0.91 C ATOM 0 H ILE B 88 16.563 0.910 7.272 1.00 0.47 H new ATOM 0 HA ILE B 88 15.791 -1.760 6.646 1.00 0.53 H new ATOM 0 HB ILE B 88 17.963 -2.269 7.959 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.356 0.027 7.976 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.768 0.695 8.299 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.398 -1.376 6.152 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.896 -2.083 5.512 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.068 -0.316 5.630 1.00 0.67 H new ATOM 0 HD11 ILE B 88 18.967 0.238 10.381 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.524 -0.796 10.252 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.136 -1.474 9.924 1.00 0.91 H new ATOM 2847 N GLN B 89 14.958 -0.762 9.523 1.00 0.48 N ATOM 2848 CA GLN B 89 14.384 -1.141 10.804 1.00 0.53 C ATOM 2849 C GLN B 89 12.900 -1.484 10.682 1.00 0.52 C ATOM 2850 O GLN B 89 12.439 -2.473 11.250 1.00 0.71 O ATOM 2851 CB GLN B 89 14.584 -0.024 11.826 1.00 0.57 C ATOM 2852 CG GLN B 89 14.432 -0.467 13.272 1.00 0.69 C ATOM 2853 CD GLN B 89 15.485 -1.474 13.692 1.00 0.82 C ATOM 2854 OE1 GLN B 89 16.598 -1.108 14.072 1.00 0.96 O ATOM 2855 NE2 GLN B 89 15.137 -2.750 13.637 1.00 0.89 N ATOM 0 H GLN B 89 14.824 0.216 9.267 1.00 0.48 H new ATOM 0 HA GLN B 89 14.904 -2.037 11.144 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.578 0.403 11.691 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.866 0.771 11.624 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.490 0.406 13.923 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.443 -0.903 13.412 1.00 0.69 H new ATOM 0 HE21 GLN B 89 14.205 -3.011 13.316 1.00 0.89 H new ATOM 0 HE22 GLN B 89 15.801 -3.472 13.915 1.00 0.89 H new ATOM 2864 N HIS B 90 12.151 -0.682 9.936 1.00 0.49 N ATOM 2865 CA HIS B 90 10.722 -0.936 9.787 1.00 0.51 C ATOM 2866 C HIS B 90 10.274 -0.900 8.333 1.00 0.50 C ATOM 2867 O HIS B 90 9.451 -1.716 7.923 1.00 0.75 O ATOM 2868 CB HIS B 90 9.911 0.078 10.599 1.00 0.59 C ATOM 2869 CG HIS B 90 8.576 -0.440 11.042 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.386 0.211 10.788 1.00 0.96 N ATOM 2871 CD2 HIS B 90 8.252 -1.555 11.738 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.390 -0.484 11.308 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.891 -1.556 11.890 1.00 1.10 N ATOM 0 H HIS B 90 12.499 0.134 9.433 1.00 0.49 H new ATOM 0 HA HIS B 90 10.540 -1.942 10.165 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.487 0.372 11.476 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.762 0.976 9.999 1.00 0.59 H new ATOM 0 HD2 HIS B 90 8.938 -2.304 12.105 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.344 -0.219 11.264 1.00 1.14 H new ATOM 0 HE2 HIS B 90 6.351 -2.272 12.376 1.00 1.10 H new ATOM 2882 N GLY B 91 10.825 0.038 7.566 1.00 0.45 N ATOM 2883 CA GLY B 91 10.456 0.194 6.167 1.00 0.46 C ATOM 2884 C GLY B 91 10.592 -1.078 5.353 1.00 0.45 C ATOM 2885 O GLY B 91 9.603 -1.616 4.865 1.00 0.64 O ATOM 0 H GLY B 91 11.529 0.700 7.893 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.425 0.543 6.110 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.080 0.968 5.721 1.00 0.46 H new ATOM 2889 N ILE B 92 11.812 -1.566 5.209 1.00 0.38 N ATOM 2890 CA ILE B 92 12.055 -2.769 4.436 1.00 0.39 C ATOM 2891 C ILE B 92 12.590 -3.880 5.324 1.00 0.41 C ATOM 2892 O ILE B 92 13.625 -3.728 5.973 1.00 0.46 O ATOM 2893 CB ILE B 92 13.055 -2.516 3.284 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.591 -1.352 2.402 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.237 -3.776 2.448 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.304 -1.623 1.650 1.00 0.43 C ATOM 0 H ILE B 92 12.648 -1.148 5.617 1.00 0.38 H new ATOM 0 HA ILE B 92 11.099 -3.070 4.008 1.00 0.39 H new ATOM 0 HB ILE B 92 14.016 -2.248 3.723 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.456 -0.468 3.026 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.377 -1.118 1.684 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.944 -3.579 1.642 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.620 -4.579 3.078 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.278 -4.073 2.024 1.00 0.47 H new ATOM 0 HD11 ILE B 92 11.043 -0.752 1.049 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.438 -2.486 0.998 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.503 -1.826 2.361 1.00 0.43 H new ATOM 2908 N HIS B 93 11.867 -4.988 5.371 1.00 0.46 N ATOM 2909 CA HIS B 93 12.285 -6.131 6.162 1.00 0.52 C ATOM 2910 C HIS B 93 13.185 -7.017 5.314 1.00 0.54 C ATOM 2911 O HIS B 93 14.301 -7.347 5.710 1.00 0.66 O ATOM 2912 CB HIS B 93 11.069 -6.918 6.662 1.00 0.58 C ATOM 2913 CG HIS B 93 10.444 -6.348 7.900 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.942 -5.062 7.976 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.228 -6.903 9.118 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.452 -4.855 9.185 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.608 -5.954 9.892 1.00 1.10 N ATOM 0 H HIS B 93 10.988 -5.118 4.870 1.00 0.46 H new ATOM 0 HA HIS B 93 12.836 -5.784 7.036 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.320 -6.952 5.871 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.370 -7.947 6.859 1.00 0.58 H new ATOM 0 HD2 HIS B 93 10.494 -7.905 9.422 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.000 -3.939 9.534 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.315 -6.080 10.861 1.00 1.10 H new ATOM 2926 N ASP B 94 12.687 -7.384 4.135 1.00 0.58 N ATOM 2927 CA ASP B 94 13.435 -8.214 3.197 1.00 0.63 C ATOM 2928 C ASP B 94 12.682 -8.307 1.870 1.00 0.78 C ATOM 2929 O ASP B 94 12.277 -9.388 1.442 1.00 1.65 O ATOM 2930 CB ASP B 94 13.667 -9.622 3.764 1.00 0.67 C ATOM 2931 CG ASP B 94 14.912 -10.275 3.195 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.903 -10.661 2.008 1.00 1.08 O ATOM 2933 OD2 ASP B 94 15.910 -10.408 3.934 1.00 0.92 O ATOM 0 H ASP B 94 11.760 -7.116 3.806 1.00 0.58 H new ATOM 0 HA ASP B 94 14.407 -7.749 3.033 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.754 -9.564 4.849 1.00 0.67 H new ATOM 0 HB3 ASP B 94 12.800 -10.246 3.546 1.00 0.67 H new ATOM 2938 N GLY B 95 12.477 -7.161 1.231 1.00 0.57 N ATOM 2939 CA GLY B 95 11.777 -7.137 -0.041 1.00 0.52 C ATOM 2940 C GLY B 95 10.362 -6.596 0.073 1.00 0.46 C ATOM 2941 O GLY B 95 9.415 -7.357 0.267 1.00 0.53 O ATOM 0 H GLY B 95 12.782 -6.249 1.570 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.338 -6.526 -0.747 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.743 -8.147 -0.450 1.00 0.52 H new ATOM 2945 N LEU B 96 10.218 -5.281 -0.058 1.00 0.41 N ATOM 2946 CA LEU B 96 8.910 -4.633 0.021 1.00 0.40 C ATOM 2947 C LEU B 96 8.810 -3.531 -1.030 1.00 0.37 C ATOM 2948 O LEU B 96 9.823 -3.135 -1.612 1.00 0.41 O ATOM 2949 CB LEU B 96 8.671 -4.060 1.425 1.00 0.44 C ATOM 2950 CG LEU B 96 8.216 -5.078 2.472 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.485 -4.562 3.876 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.741 -5.405 2.296 1.00 0.70 C ATOM 0 H LEU B 96 10.994 -4.639 -0.220 1.00 0.41 H new ATOM 0 HA LEU B 96 8.140 -5.379 -0.176 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.593 -3.593 1.772 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.921 -3.272 1.356 1.00 0.44 H new ATOM 0 HG LEU B 96 8.790 -5.994 2.329 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.154 -5.301 4.605 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.553 -4.384 4.000 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.941 -3.630 4.032 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.437 -6.131 3.050 1.00 0.70 H new ATOM 0 HD22 LEU B 96 6.151 -4.496 2.409 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.577 -5.823 1.303 1.00 0.70 H new ATOM 2964 N THR B 97 7.599 -3.033 -1.270 1.00 0.39 N ATOM 2965 CA THR B 97 7.391 -1.990 -2.270 1.00 0.39 C ATOM 2966 C THR B 97 6.987 -0.655 -1.641 1.00 0.37 C ATOM 2967 O THR B 97 5.827 -0.451 -1.280 1.00 0.46 O ATOM 2968 CB THR B 97 6.325 -2.413 -3.303 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.154 -2.934 -2.654 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.881 -3.452 -4.265 1.00 0.78 C ATOM 0 H THR B 97 6.752 -3.333 -0.788 1.00 0.39 H new ATOM 0 HA THR B 97 8.348 -1.853 -2.773 1.00 0.39 H new ATOM 0 HB THR B 97 6.047 -1.523 -3.867 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.493 -3.193 -3.330 1.00 0.83 H new ATOM 0 HG21 THR B 97 6.110 -3.733 -4.982 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.736 -3.035 -4.796 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.196 -4.334 -3.706 1.00 0.78 H new ATOM 2978 N VAL B 98 7.940 0.260 -1.541 1.00 0.33 N ATOM 2979 CA VAL B 98 7.687 1.574 -0.959 1.00 0.31 C ATOM 2980 C VAL B 98 7.326 2.591 -2.041 1.00 0.30 C ATOM 2981 O VAL B 98 7.431 2.306 -3.234 1.00 0.36 O ATOM 2982 CB VAL B 98 8.903 2.093 -0.161 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.063 1.311 1.134 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.175 2.018 -0.998 1.00 0.34 C ATOM 0 H VAL B 98 8.900 0.118 -1.856 1.00 0.33 H new ATOM 0 HA VAL B 98 6.847 1.457 -0.275 1.00 0.31 H new ATOM 0 HB VAL B 98 8.726 3.139 0.089 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.925 1.690 1.684 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.166 1.426 1.742 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.214 0.256 0.906 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.017 2.389 -0.414 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.361 0.983 -1.286 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.058 2.628 -1.894 1.00 0.34 H new ATOM 2994 N HIS B 99 6.894 3.771 -1.619 1.00 0.29 N ATOM 2995 CA HIS B 99 6.509 4.831 -2.549 1.00 0.31 C ATOM 2996 C HIS B 99 7.469 6.006 -2.448 1.00 0.30 C ATOM 2997 O HIS B 99 8.168 6.157 -1.448 1.00 0.47 O ATOM 2998 CB HIS B 99 5.091 5.308 -2.249 1.00 0.38 C ATOM 2999 CG HIS B 99 4.199 5.358 -3.451 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.443 4.287 -3.858 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.935 6.358 -4.326 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.760 4.615 -4.931 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.033 5.866 -5.235 1.00 0.81 N ATOM 0 H HIS B 99 6.800 4.022 -0.635 1.00 0.29 H new ATOM 0 HA HIS B 99 6.548 4.426 -3.560 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.646 4.647 -1.506 1.00 0.38 H new ATOM 0 HB3 HIS B 99 5.139 6.302 -1.803 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.416 3.377 -3.398 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.355 7.353 -4.311 1.00 0.71 H new ATOM 0 HE1 HIS B 99 2.087 3.967 -5.473 1.00 0.81 H new ATOM 3012 N LEU B 100 7.497 6.825 -3.486 1.00 0.31 N ATOM 3013 CA LEU B 100 8.364 7.990 -3.514 1.00 0.32 C ATOM 3014 C LEU B 100 7.569 9.243 -3.877 1.00 0.32 C ATOM 3015 O LEU B 100 6.904 9.282 -4.914 1.00 0.40 O ATOM 3016 CB LEU B 100 9.480 7.771 -4.532 1.00 0.37 C ATOM 3017 CG LEU B 100 10.690 8.691 -4.392 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.493 8.317 -3.157 1.00 0.85 C ATOM 3019 CD2 LEU B 100 11.558 8.620 -5.641 1.00 0.91 C ATOM 0 H LEU B 100 6.927 6.704 -4.323 1.00 0.31 H new ATOM 0 HA LEU B 100 8.796 8.130 -2.523 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.820 6.738 -4.455 1.00 0.37 H new ATOM 0 HB3 LEU B 100 9.065 7.896 -5.532 1.00 0.37 H new ATOM 0 HG LEU B 100 10.340 9.717 -4.278 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.353 8.980 -3.068 1.00 0.85 H new ATOM 0 HD12 LEU B 100 10.865 8.416 -2.271 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.837 7.286 -3.245 1.00 0.85 H new ATOM 0 HD21 LEU B 100 12.417 9.282 -5.526 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.905 7.597 -5.785 1.00 0.91 H new ATOM 0 HD23 LEU B 100 10.975 8.931 -6.508 1.00 0.91 H new ATOM 3031 N VAL B 101 7.628 10.254 -3.018 1.00 0.30 N ATOM 3032 CA VAL B 101 6.924 11.511 -3.265 1.00 0.32 C ATOM 3033 C VAL B 101 7.838 12.703 -3.015 1.00 0.33 C ATOM 3034 O VAL B 101 8.997 12.537 -2.622 1.00 0.38 O ATOM 3035 CB VAL B 101 5.660 11.671 -2.392 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.579 10.685 -2.813 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.000 11.510 -0.918 1.00 0.52 C ATOM 0 H VAL B 101 8.155 10.230 -2.145 1.00 0.30 H new ATOM 0 HA VAL B 101 6.617 11.480 -4.311 1.00 0.32 H new ATOM 0 HB VAL B 101 5.270 12.678 -2.541 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.700 10.818 -2.183 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.310 10.863 -3.854 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.953 9.667 -2.704 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.095 11.626 -0.321 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.422 10.519 -0.748 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.727 12.269 -0.627 1.00 0.52 H new ATOM 3047 N ILE B 102 7.309 13.904 -3.232 1.00 0.36 N ATOM 3048 CA ILE B 102 8.071 15.126 -3.033 1.00 0.41 C ATOM 3049 C ILE B 102 7.269 16.140 -2.220 1.00 0.51 C ATOM 3050 O ILE B 102 6.864 17.184 -2.731 1.00 0.79 O ATOM 3051 CB ILE B 102 8.504 15.774 -4.373 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.367 15.729 -5.411 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.763 15.104 -4.904 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.373 14.506 -6.313 1.00 1.32 C ATOM 0 H ILE B 102 6.351 14.054 -3.547 1.00 0.36 H new ATOM 0 HA ILE B 102 8.970 14.844 -2.485 1.00 0.41 H new ATOM 0 HB ILE B 102 8.729 16.824 -4.186 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.413 15.770 -4.885 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.427 16.622 -6.033 1.00 0.71 H new ATOM 0 HG21 ILE B 102 10.054 15.570 -5.845 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.569 15.217 -4.179 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.569 14.044 -5.069 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.536 14.563 -7.009 1.00 1.32 H new ATOM 0 HD12 ILE B 102 8.308 14.470 -6.871 1.00 1.32 H new ATOM 0 HD13 ILE B 102 7.278 13.606 -5.706 1.00 1.32 H new ATOM 3066 N LYS B 103 7.024 15.813 -0.961 1.00 0.59 N ATOM 3067 CA LYS B 103 6.281 16.695 -0.071 1.00 0.76 C ATOM 3068 C LYS B 103 7.060 16.907 1.221 1.00 0.91 C ATOM 3069 O LYS B 103 7.153 15.955 2.027 1.00 1.07 O ATOM 3070 CB LYS B 103 4.888 16.126 0.233 1.00 0.86 C ATOM 3071 CG LYS B 103 3.899 16.277 -0.916 1.00 1.00 C ATOM 3072 CD LYS B 103 2.508 15.800 -0.529 1.00 1.15 C ATOM 3073 CE LYS B 103 1.532 15.924 -1.692 1.00 1.32 C ATOM 3074 NZ LYS B 103 0.227 15.262 -1.418 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.581 18.025 1.427 1.00 1.20 O ATOM 0 H LYS B 103 7.329 14.940 -0.530 1.00 0.59 H new ATOM 0 HA LYS B 103 6.150 17.655 -0.570 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.984 15.069 0.481 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.486 16.626 1.114 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.853 17.322 -1.221 1.00 1.00 H new ATOM 0 HG3 LYS B 103 4.252 15.709 -1.777 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.556 14.761 -0.202 1.00 1.15 H new ATOM 0 HD3 LYS B 103 2.144 16.384 0.317 1.00 1.15 H new ATOM 0 HE2 LYS B 103 1.362 16.979 -1.908 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.978 15.484 -2.584 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 -0.405 15.390 -2.234 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 0.380 14.246 -1.255 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 -0.207 15.686 -0.573 1.00 1.74 H new