USER MOD reduce.3.24.130724 H: found=0, std=0, add=1513, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1516 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 55 THR OG1 : rot -56:sc= 1.01 USER MOD Set 1.2: B 57 SER OG : rot -83:sc= 0.488 USER MOD Set 2.1: B 7 THR OG1 : rot 122:sc= 0.00156 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.218 USER MOD Set 3.1: B 6 LYS NZ :NH3+ -126:sc= 0.869 (180deg=-0.189) USER MOD Set 3.2: B 12 THR OG1 : rot 171:sc= 0.603 USER MOD Set 4.1: A 121 CYS SG : rot -17:sc= 0.685 USER MOD Set 4.2: A 125 ASN : amide:sc= 0.824 K(o=1.5,f=-0.91) USER MOD Set 5.1: A 116 GLN : amide:sc=-0.00959 K(o=0.52,f=-0.85) USER MOD Set 5.2: A 120 HIS : no HD1:sc= 0.525 K(o=0.52,f=-3.8!) USER MOD Set 6.1: A 66 SER OG : rot -76:sc= 2.23 USER MOD Set 6.2: A 68 THR OG1 : rot 86:sc= 1.1 USER MOD Set 7.1: A 48 TYR OH : rot 102:sc= 0.00364 USER MOD Set 7.2: A 60 CYS SG : rot -85:sc= 0.936 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 2.42 (180deg=2.38) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.331 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -90:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 52 THR OG1 : rot 65:sc= 1.37 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.337 K(o=0.34,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 80 CYS SG : rot -79:sc= -3.81! USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= 1.27 (180deg=-0.381) USER MOD Single : A 87 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.68) USER MOD Single : A 88 CYS SG : rot -120:sc= -1.03 USER MOD Single : A 90 SER OG : rot -150:sc= -0.522 USER MOD Single : A 94 TYR OH : rot -150:sc= 0.0592 USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= 0.619 (180deg=0.494) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.23) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.625 K(o=-0.62,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 CYS SG : rot 86:sc= 1.17 USER MOD Single : A 129 ASN :FLIP amide:sc= -0.791 F(o=-2.9!,f=-0.79) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -166:sc= 0 (180deg=-0.119) USER MOD Single : B 1 MET N :NH3+ 166:sc= 2.14 (180deg=1.9) USER MOD Single : B 2 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.7!) USER MOD Single : B 11 LYS NZ :NH3+ -130:sc= 1.16 (180deg=-0.91!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.178 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.167 USER MOD Single : B 25 ASN : amide:sc= 1.13 K(o=1.1,f=-1.6!) USER MOD Single : B 27 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1.26) USER MOD Single : B 29 LYS NZ :NH3+ -117:sc= 0.0761 (180deg=-0.377) USER MOD Single : B 31 GLN : amide:sc= -0.216 K(o=-0.22,f=-1) USER MOD Single : B 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0851) USER MOD Single : B 40 GLN : amide:sc= 1.11 K(o=1.1,f=-0.33) USER MOD Single : B 41 GLN : amide:sc= 0.514 K(o=0.51,f=-6.6!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN :FLIP amide:sc= 0.603 F(o=-1.6!,f=0.6) USER MOD Single : B 59 TYR OH : rot -165:sc= 0.473 USER MOD Single : B 60 ASN : amide:sc= -0.0522 K(o=-0.052,f=-1.2!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 118:sc= 1.18 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : +bothHN:sc= -1.6! C(o=-1.6!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 22 11.980 -7.121 -8.685 1.00 45.61 N ATOM 2 CA TYR A 22 10.893 -6.832 -7.727 1.00 43.51 C ATOM 3 C TYR A 22 11.332 -7.200 -6.318 1.00 43.60 C ATOM 4 O TYR A 22 12.218 -8.037 -6.139 1.00 44.61 O ATOM 5 CB TYR A 22 9.628 -7.614 -8.094 1.00 47.56 C ATOM 6 CG TYR A 22 9.148 -7.386 -9.512 1.00 46.63 C ATOM 7 CD1 TYR A 22 9.116 -6.109 -10.066 1.00 50.27 C ATOM 8 CD2 TYR A 22 8.718 -8.450 -10.294 1.00 46.46 C ATOM 9 CE1 TYR A 22 8.670 -5.903 -11.359 1.00 50.44 C ATOM 10 CE2 TYR A 22 8.269 -8.251 -11.584 1.00 48.24 C ATOM 11 CZ TYR A 22 8.247 -6.976 -12.114 1.00 52.62 C ATOM 12 OH TYR A 22 7.792 -6.779 -13.398 1.00 54.99 O ATOM 0 HA TYR A 22 10.670 -5.766 -7.770 1.00 43.51 H new ATOM 0 HB2 TYR A 22 9.818 -8.678 -7.953 1.00 47.56 H new ATOM 0 HB3 TYR A 22 8.831 -7.339 -7.404 1.00 47.56 H new ATOM 0 HD1 TYR A 22 9.445 -5.266 -9.477 1.00 50.27 H new ATOM 0 HD2 TYR A 22 8.735 -9.450 -9.886 1.00 46.46 H new ATOM 0 HE1 TYR A 22 8.653 -4.906 -11.775 1.00 50.44 H new ATOM 0 HE2 TYR A 22 7.936 -9.090 -12.177 1.00 48.24 H new ATOM 0 HH TYR A 22 7.534 -7.640 -13.789 1.00 54.99 H new ATOM 24 N LEU A 23 10.723 -6.569 -5.323 1.00 31.65 N ATOM 25 CA LEU A 23 11.054 -6.850 -3.933 1.00 32.60 C ATOM 26 C LEU A 23 10.581 -8.248 -3.575 1.00 33.92 C ATOM 27 O LEU A 23 11.374 -9.114 -3.203 1.00 33.21 O ATOM 28 CB LEU A 23 10.411 -5.823 -2.991 1.00 31.36 C ATOM 29 CG LEU A 23 10.655 -4.355 -3.346 1.00 32.85 C ATOM 30 CD1 LEU A 23 10.051 -3.452 -2.284 1.00 37.08 C ATOM 31 CD2 LEU A 23 12.145 -4.077 -3.504 1.00 41.11 C ATOM 0 H LEU A 23 10.000 -5.862 -5.452 1.00 31.65 H new ATOM 0 HA LEU A 23 12.136 -6.784 -3.814 1.00 32.60 H new ATOM 0 HB2 LEU A 23 9.336 -5.999 -2.971 1.00 31.36 H new ATOM 0 HB3 LEU A 23 10.782 -6.000 -1.982 1.00 31.36 H new ATOM 0 HG LEU A 23 10.170 -4.144 -4.299 1.00 32.85 H new ATOM 0 HD11 LEU A 23 10.231 -2.410 -2.547 1.00 37.08 H new ATOM 0 HD12 LEU A 23 8.977 -3.631 -2.222 1.00 37.08 H new ATOM 0 HD13 LEU A 23 10.511 -3.667 -1.319 1.00 37.08 H new ATOM 0 HD21 LEU A 23 12.295 -3.027 -3.756 1.00 41.11 H new ATOM 0 HD22 LEU A 23 12.658 -4.302 -2.569 1.00 41.11 H new ATOM 0 HD23 LEU A 23 12.549 -4.703 -4.300 1.00 41.11 H new ATOM 43 N VAL A 24 9.283 -8.462 -3.715 1.00 28.03 N ATOM 44 CA VAL A 24 8.674 -9.749 -3.427 1.00 29.15 C ATOM 45 C VAL A 24 7.825 -10.180 -4.617 1.00 22.96 C ATOM 46 O VAL A 24 7.193 -9.340 -5.261 1.00 24.25 O ATOM 47 CB VAL A 24 7.788 -9.691 -2.159 1.00 32.80 C ATOM 48 CG1 VAL A 24 7.336 -11.087 -1.752 1.00 42.00 C ATOM 49 CG2 VAL A 24 8.525 -9.013 -1.011 1.00 41.63 C ATOM 0 H VAL A 24 8.624 -7.750 -4.031 1.00 28.03 H new ATOM 0 HA VAL A 24 9.472 -10.469 -3.247 1.00 29.15 H new ATOM 0 HB VAL A 24 6.904 -9.098 -2.394 1.00 32.80 H new ATOM 0 HG11 VAL A 24 6.715 -11.022 -0.859 1.00 42.00 H new ATOM 0 HG12 VAL A 24 6.761 -11.534 -2.563 1.00 42.00 H new ATOM 0 HG13 VAL A 24 8.209 -11.705 -1.543 1.00 42.00 H new ATOM 0 HG21 VAL A 24 7.881 -8.985 -0.132 1.00 41.63 H new ATOM 0 HG22 VAL A 24 9.431 -9.573 -0.779 1.00 41.63 H new ATOM 0 HG23 VAL A 24 8.790 -7.996 -1.299 1.00 41.63 H new ATOM 59 N GLU A 25 7.846 -11.470 -4.927 1.00 24.89 N ATOM 60 CA GLU A 25 7.068 -12.009 -6.037 1.00 23.60 C ATOM 61 C GLU A 25 6.609 -13.428 -5.710 1.00 24.58 C ATOM 62 O GLU A 25 7.384 -14.233 -5.186 1.00 25.27 O ATOM 63 CB GLU A 25 7.894 -12.007 -7.333 1.00 29.00 C ATOM 64 CG GLU A 25 9.213 -12.752 -7.213 1.00 33.54 C ATOM 65 CD GLU A 25 9.821 -13.101 -8.555 1.00 42.16 C ATOM 66 OE1 GLU A 25 9.458 -14.152 -9.125 1.00 44.93 O ATOM 67 OE2 GLU A 25 10.681 -12.338 -9.039 1.00 53.32 O ATOM 0 H GLU A 25 8.396 -12.166 -4.423 1.00 24.89 H new ATOM 0 HA GLU A 25 6.194 -11.375 -6.187 1.00 23.60 H new ATOM 0 HB2 GLU A 25 7.303 -12.456 -8.131 1.00 29.00 H new ATOM 0 HB3 GLU A 25 8.094 -10.976 -7.626 1.00 29.00 H new ATOM 0 HG2 GLU A 25 9.918 -12.142 -6.649 1.00 33.54 H new ATOM 0 HG3 GLU A 25 9.056 -13.667 -6.643 1.00 33.54 H new ATOM 74 N PHE A 26 5.345 -13.726 -5.984 1.00 22.47 N ATOM 75 CA PHE A 26 4.808 -15.057 -5.722 1.00 21.66 C ATOM 76 C PHE A 26 3.519 -15.297 -6.500 1.00 24.04 C ATOM 77 O PHE A 26 2.941 -14.371 -7.071 1.00 22.30 O ATOM 78 CB PHE A 26 4.569 -15.269 -4.221 1.00 23.47 C ATOM 79 CG PHE A 26 3.731 -14.209 -3.560 1.00 21.92 C ATOM 80 CD1 PHE A 26 2.350 -14.316 -3.532 1.00 22.79 C ATOM 81 CD2 PHE A 26 4.325 -13.118 -2.947 1.00 23.12 C ATOM 82 CE1 PHE A 26 1.578 -13.354 -2.909 1.00 25.76 C ATOM 83 CE2 PHE A 26 3.559 -12.153 -2.326 1.00 24.88 C ATOM 84 CZ PHE A 26 2.184 -12.271 -2.305 1.00 26.66 C ATOM 0 H PHE A 26 4.676 -13.069 -6.385 1.00 22.47 H new ATOM 0 HA PHE A 26 5.550 -15.780 -6.060 1.00 21.66 H new ATOM 0 HB2 PHE A 26 4.087 -16.236 -4.077 1.00 23.47 H new ATOM 0 HB3 PHE A 26 5.534 -15.316 -3.717 1.00 23.47 H new ATOM 0 HD1 PHE A 26 1.871 -15.162 -4.003 1.00 22.79 H new ATOM 0 HD2 PHE A 26 5.401 -13.022 -2.955 1.00 23.12 H new ATOM 0 HE1 PHE A 26 0.502 -13.449 -2.895 1.00 25.76 H new ATOM 0 HE2 PHE A 26 4.035 -11.305 -1.856 1.00 24.88 H new ATOM 0 HZ PHE A 26 1.584 -11.518 -1.817 1.00 26.66 H new ATOM 94 N ARG A 27 3.075 -16.546 -6.510 1.00 22.71 N ATOM 95 CA ARG A 27 1.864 -16.929 -7.220 1.00 22.16 C ATOM 96 C ARG A 27 0.658 -16.811 -6.304 1.00 22.93 C ATOM 97 O ARG A 27 0.579 -17.496 -5.283 1.00 23.03 O ATOM 98 CB ARG A 27 1.984 -18.366 -7.727 1.00 25.12 C ATOM 99 CG ARG A 27 3.269 -18.635 -8.486 1.00 24.95 C ATOM 100 CD ARG A 27 3.545 -20.125 -8.612 1.00 29.77 C ATOM 101 NE ARG A 27 4.874 -20.387 -9.160 1.00 40.26 N ATOM 102 CZ ARG A 27 5.957 -20.610 -8.418 1.00 43.84 C ATOM 103 NH1 ARG A 27 5.878 -20.604 -7.092 1.00 42.26 N ATOM 104 NH2 ARG A 27 7.123 -20.843 -9.007 1.00 53.40 N ATOM 0 H ARG A 27 3.540 -17.317 -6.030 1.00 22.71 H new ATOM 0 HA ARG A 27 1.733 -16.259 -8.069 1.00 22.16 H new ATOM 0 HB2 ARG A 27 1.923 -19.048 -6.879 1.00 25.12 H new ATOM 0 HB3 ARG A 27 1.136 -18.586 -8.375 1.00 25.12 H new ATOM 0 HG2 ARG A 27 3.205 -18.191 -9.480 1.00 24.95 H new ATOM 0 HG3 ARG A 27 4.102 -18.152 -7.975 1.00 24.95 H new ATOM 0 HD2 ARG A 27 3.457 -20.595 -7.632 1.00 29.77 H new ATOM 0 HD3 ARG A 27 2.791 -20.581 -9.254 1.00 29.77 H new ATOM 0 HE ARG A 27 4.979 -20.400 -10.175 1.00 40.26 H new ATOM 0 HH11 ARG A 27 4.983 -20.428 -6.635 1.00 42.26 H new ATOM 0 HH12 ARG A 27 6.712 -20.776 -6.531 1.00 42.26 H new ATOM 0 HH21 ARG A 27 7.188 -20.851 -10.025 1.00 53.40 H new ATOM 0 HH22 ARG A 27 7.955 -21.014 -8.442 1.00 53.40 H new ATOM 118 N ALA A 28 -0.279 -15.951 -6.669 1.00 21.69 N ATOM 119 CA ALA A 28 -1.478 -15.750 -5.871 1.00 21.30 C ATOM 120 C ALA A 28 -2.600 -15.163 -6.715 1.00 21.54 C ATOM 121 O ALA A 28 -2.367 -14.309 -7.575 1.00 22.17 O ATOM 122 CB ALA A 28 -1.191 -14.844 -4.680 1.00 23.20 C ATOM 0 H ALA A 28 -0.233 -15.380 -7.513 1.00 21.69 H new ATOM 0 HA ALA A 28 -1.797 -16.724 -5.499 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -2.103 -14.708 -4.098 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.425 -15.299 -4.053 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -0.840 -13.875 -5.036 1.00 23.20 H new ATOM 128 N GLY A 29 -3.812 -15.632 -6.471 1.00 21.31 N ATOM 129 CA GLY A 29 -4.959 -15.140 -7.200 1.00 23.36 C ATOM 130 C GLY A 29 -5.684 -14.074 -6.414 1.00 24.59 C ATOM 131 O GLY A 29 -5.746 -14.138 -5.187 1.00 24.46 O ATOM 0 H GLY A 29 -4.022 -16.349 -5.777 1.00 21.31 H new ATOM 0 HA2 GLY A 29 -4.638 -14.734 -8.159 1.00 23.36 H new ATOM 0 HA3 GLY A 29 -5.639 -15.964 -7.414 1.00 23.36 H new ATOM 135 N LYS A 30 -6.217 -13.087 -7.105 1.00 23.00 N ATOM 136 CA LYS A 30 -6.930 -12.012 -6.441 1.00 21.15 C ATOM 137 C LYS A 30 -8.419 -12.317 -6.381 1.00 23.64 C ATOM 138 O LYS A 30 -8.862 -13.388 -6.799 1.00 24.84 O ATOM 139 CB LYS A 30 -6.701 -10.687 -7.166 1.00 23.49 C ATOM 140 CG LYS A 30 -7.219 -10.676 -8.591 1.00 27.46 C ATOM 141 CD LYS A 30 -7.455 -9.259 -9.083 1.00 31.74 C ATOM 142 CE LYS A 30 -7.695 -9.230 -10.580 1.00 38.65 C ATOM 143 NZ LYS A 30 -7.992 -7.861 -11.070 1.00 36.43 N ATOM 0 H LYS A 30 -6.171 -13.006 -8.121 1.00 23.00 H new ATOM 0 HA LYS A 30 -6.546 -11.928 -5.424 1.00 21.15 H new ATOM 0 HB2 LYS A 30 -7.186 -9.888 -6.606 1.00 23.49 H new ATOM 0 HB3 LYS A 30 -5.633 -10.467 -7.175 1.00 23.49 H new ATOM 0 HG2 LYS A 30 -6.503 -11.175 -9.244 1.00 27.46 H new ATOM 0 HG3 LYS A 30 -8.149 -11.242 -8.646 1.00 27.46 H new ATOM 0 HD2 LYS A 30 -8.314 -8.830 -8.566 1.00 31.74 H new ATOM 0 HD3 LYS A 30 -6.593 -8.638 -8.838 1.00 31.74 H new ATOM 0 HE2 LYS A 30 -6.816 -9.617 -11.095 1.00 38.65 H new ATOM 0 HE3 LYS A 30 -8.526 -9.891 -10.827 1.00 38.65 H new ATOM 0 HZ1 LYS A 30 -8.183 -7.892 -12.092 1.00 36.43 H new ATOM 0 HZ2 LYS A 30 -8.826 -7.488 -10.573 1.00 36.43 H new ATOM 0 HZ3 LYS A 30 -7.176 -7.243 -10.889 1.00 36.43 H new ATOM 157 N MET A 31 -9.185 -11.384 -5.841 1.00 25.36 N ATOM 158 CA MET A 31 -10.624 -11.536 -5.745 1.00 27.00 C ATOM 159 C MET A 31 -11.291 -10.235 -6.161 1.00 27.82 C ATOM 160 O MET A 31 -10.796 -9.154 -5.848 1.00 32.62 O ATOM 161 CB MET A 31 -11.045 -11.910 -4.320 1.00 24.59 C ATOM 162 CG MET A 31 -10.325 -13.127 -3.767 1.00 24.61 C ATOM 163 SD MET A 31 -11.179 -13.884 -2.371 1.00 26.00 S ATOM 164 CE MET A 31 -9.986 -15.136 -1.904 1.00 24.15 C ATOM 0 H MET A 31 -8.829 -10.507 -5.460 1.00 25.36 H new ATOM 0 HA MET A 31 -10.937 -12.342 -6.409 1.00 27.00 H new ATOM 0 HB2 MET A 31 -10.861 -11.061 -3.662 1.00 24.59 H new ATOM 0 HB3 MET A 31 -12.119 -12.097 -4.306 1.00 24.59 H new ATOM 0 HG2 MET A 31 -10.213 -13.866 -4.560 1.00 24.61 H new ATOM 0 HG3 MET A 31 -9.321 -12.837 -3.457 1.00 24.61 H new ATOM 0 HE1 MET A 31 -10.363 -15.698 -1.049 1.00 24.15 H new ATOM 0 HE2 MET A 31 -9.824 -15.815 -2.741 1.00 24.15 H new ATOM 0 HE3 MET A 31 -9.043 -14.659 -1.637 1.00 24.15 H new ATOM 174 N SER A 32 -12.392 -10.343 -6.876 1.00 25.88 N ATOM 175 CA SER A 32 -13.118 -9.174 -7.342 1.00 31.55 C ATOM 176 C SER A 32 -14.429 -9.031 -6.583 1.00 35.12 C ATOM 177 O SER A 32 -15.051 -10.022 -6.202 1.00 33.62 O ATOM 178 CB SER A 32 -13.388 -9.301 -8.838 1.00 37.48 C ATOM 179 OG SER A 32 -12.273 -9.866 -9.511 1.00 45.53 O ATOM 0 H SER A 32 -12.808 -11.233 -7.150 1.00 25.88 H new ATOM 0 HA SER A 32 -12.514 -8.285 -7.161 1.00 31.55 H new ATOM 0 HB2 SER A 32 -14.268 -9.923 -9.001 1.00 37.48 H new ATOM 0 HB3 SER A 32 -13.610 -8.319 -9.256 1.00 37.48 H new ATOM 0 HG SER A 32 -12.471 -9.939 -10.468 1.00 45.53 H new ATOM 185 N LEU A 33 -14.849 -7.800 -6.354 1.00 42.07 N ATOM 186 CA LEU A 33 -16.085 -7.551 -5.642 1.00 44.29 C ATOM 187 C LEU A 33 -17.242 -7.427 -6.620 1.00 50.09 C ATOM 188 O LEU A 33 -17.408 -6.398 -7.271 1.00 52.46 O ATOM 189 CB LEU A 33 -15.976 -6.286 -4.790 1.00 46.72 C ATOM 190 CG LEU A 33 -15.945 -6.524 -3.281 1.00 51.34 C ATOM 191 CD1 LEU A 33 -15.673 -5.223 -2.542 1.00 57.04 C ATOM 192 CD2 LEU A 33 -17.255 -7.142 -2.812 1.00 54.38 C ATOM 0 H LEU A 33 -14.352 -6.960 -6.651 1.00 42.07 H new ATOM 0 HA LEU A 33 -16.273 -8.396 -4.979 1.00 44.29 H new ATOM 0 HB2 LEU A 33 -15.071 -5.750 -5.077 1.00 46.72 H new ATOM 0 HB3 LEU A 33 -16.819 -5.636 -5.023 1.00 46.72 H new ATOM 0 HG LEU A 33 -15.137 -7.221 -3.058 1.00 51.34 H new ATOM 0 HD11 LEU A 33 -15.654 -5.411 -1.469 1.00 57.04 H new ATOM 0 HD12 LEU A 33 -14.710 -4.820 -2.857 1.00 57.04 H new ATOM 0 HD13 LEU A 33 -16.459 -4.503 -2.771 1.00 57.04 H new ATOM 0 HD21 LEU A 33 -17.215 -7.305 -1.735 1.00 54.38 H new ATOM 0 HD22 LEU A 33 -18.080 -6.469 -3.047 1.00 54.38 H new ATOM 0 HD23 LEU A 33 -17.409 -8.095 -3.318 1.00 54.38 H new ATOM 204 N LYS A 34 -18.011 -8.492 -6.747 1.00 52.69 N ATOM 205 CA LYS A 34 -19.162 -8.505 -7.637 1.00 53.15 C ATOM 206 C LYS A 34 -20.378 -7.992 -6.884 1.00 56.50 C ATOM 207 O LYS A 34 -21.065 -8.751 -6.199 1.00 56.84 O ATOM 208 CB LYS A 34 -19.409 -9.920 -8.167 1.00 2.00 C ATOM 209 CG LYS A 34 -20.575 -10.021 -9.140 1.00 2.00 C ATOM 210 CD LYS A 34 -20.704 -11.421 -9.718 1.00 2.00 C ATOM 211 CE LYS A 34 -21.046 -12.443 -8.645 1.00 2.00 C ATOM 212 NZ LYS A 34 -21.312 -13.787 -9.223 1.00 2.00 N ATOM 0 H LYS A 34 -17.860 -9.366 -6.243 1.00 52.69 H new ATOM 0 HA LYS A 34 -18.970 -7.856 -8.492 1.00 53.15 H new ATOM 0 HB2 LYS A 34 -18.505 -10.275 -8.661 1.00 2.00 H new ATOM 0 HB3 LYS A 34 -19.594 -10.586 -7.324 1.00 2.00 H new ATOM 0 HG2 LYS A 34 -21.500 -9.751 -8.630 1.00 2.00 H new ATOM 0 HG3 LYS A 34 -20.437 -9.304 -9.949 1.00 2.00 H new ATOM 0 HD2 LYS A 34 -21.477 -11.428 -10.487 1.00 2.00 H new ATOM 0 HD3 LYS A 34 -19.769 -11.702 -10.203 1.00 2.00 H new ATOM 0 HE2 LYS A 34 -20.224 -12.511 -7.933 1.00 2.00 H new ATOM 0 HE3 LYS A 34 -21.922 -12.107 -8.090 1.00 2.00 H new ATOM 0 HZ1 LYS A 34 -21.541 -14.454 -8.459 1.00 2.00 H new ATOM 0 HZ2 LYS A 34 -22.113 -13.728 -9.883 1.00 2.00 H new ATOM 0 HZ3 LYS A 34 -20.468 -14.120 -9.731 1.00 2.00 H new ATOM 226 N GLY A 35 -20.614 -6.691 -6.987 1.00 57.85 N ATOM 227 CA GLY A 35 -21.725 -6.080 -6.291 1.00 55.33 C ATOM 228 C GLY A 35 -21.439 -5.973 -4.809 1.00 54.05 C ATOM 229 O GLY A 35 -21.002 -4.932 -4.324 1.00 55.43 O ATOM 0 H GLY A 35 -20.052 -6.047 -7.543 1.00 57.85 H new ATOM 0 HA2 GLY A 35 -21.916 -5.088 -6.701 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -22.628 -6.670 -6.450 1.00 55.33 H new ATOM 233 N THR A 36 -21.664 -7.061 -4.097 1.00 51.72 N ATOM 234 CA THR A 36 -21.413 -7.104 -2.671 1.00 51.05 C ATOM 235 C THR A 36 -20.833 -8.462 -2.280 1.00 46.50 C ATOM 236 O THR A 36 -20.578 -8.736 -1.105 1.00 45.65 O ATOM 237 CB THR A 36 -22.704 -6.817 -1.871 1.00 51.58 C ATOM 238 OG1 THR A 36 -22.400 -6.602 -0.487 1.00 60.43 O ATOM 239 CG2 THR A 36 -23.700 -7.960 -2.012 1.00 49.93 C ATOM 0 H THR A 36 -22.023 -7.932 -4.488 1.00 51.72 H new ATOM 0 HA THR A 36 -20.688 -6.327 -2.428 1.00 51.05 H new ATOM 0 HB THR A 36 -23.156 -5.913 -2.280 1.00 51.58 H new ATOM 0 HG1 THR A 36 -21.699 -7.226 -0.205 1.00 60.43 H new ATOM 0 HG21 THR A 36 -24.599 -7.732 -1.439 1.00 49.93 H new ATOM 0 HG22 THR A 36 -23.962 -8.087 -3.062 1.00 49.93 H new ATOM 0 HG23 THR A 36 -23.253 -8.880 -1.635 1.00 49.93 H new ATOM 247 N THR A 37 -20.604 -9.304 -3.279 1.00 41.86 N ATOM 248 CA THR A 37 -20.059 -10.629 -3.049 1.00 36.46 C ATOM 249 C THR A 37 -18.629 -10.732 -3.576 1.00 36.55 C ATOM 250 O THR A 37 -18.365 -10.456 -4.749 1.00 36.77 O ATOM 251 CB THR A 37 -20.927 -11.710 -3.724 1.00 40.82 C ATOM 252 OG1 THR A 37 -22.317 -11.373 -3.593 1.00 46.77 O ATOM 253 CG2 THR A 37 -20.674 -13.075 -3.099 1.00 40.62 C ATOM 0 H THR A 37 -20.789 -9.089 -4.259 1.00 41.86 H new ATOM 0 HA THR A 37 -20.056 -10.795 -1.972 1.00 36.46 H new ATOM 0 HB THR A 37 -20.659 -11.754 -4.780 1.00 40.82 H new ATOM 0 HG1 THR A 37 -22.863 -12.063 -4.025 1.00 46.77 H new ATOM 0 HG21 THR A 37 -21.297 -13.822 -3.591 1.00 40.62 H new ATOM 0 HG22 THR A 37 -19.624 -13.342 -3.220 1.00 40.62 H new ATOM 0 HG23 THR A 37 -20.919 -13.040 -2.038 1.00 40.62 H new ATOM 261 N VAL A 38 -17.708 -11.112 -2.702 1.00 33.78 N ATOM 262 CA VAL A 38 -16.310 -11.263 -3.077 1.00 28.48 C ATOM 263 C VAL A 38 -16.120 -12.547 -3.877 1.00 29.22 C ATOM 264 O VAL A 38 -16.239 -13.648 -3.342 1.00 31.27 O ATOM 265 CB VAL A 38 -15.393 -11.286 -1.838 1.00 29.43 C ATOM 266 CG1 VAL A 38 -13.932 -11.375 -2.250 1.00 28.05 C ATOM 267 CG2 VAL A 38 -15.627 -10.056 -0.975 1.00 31.46 C ATOM 0 H VAL A 38 -17.906 -11.322 -1.724 1.00 33.78 H new ATOM 0 HA VAL A 38 -16.035 -10.404 -3.689 1.00 28.48 H new ATOM 0 HB VAL A 38 -15.638 -12.171 -1.251 1.00 29.43 H new ATOM 0 HG11 VAL A 38 -13.303 -11.390 -1.360 1.00 28.05 H new ATOM 0 HG12 VAL A 38 -13.771 -12.288 -2.824 1.00 28.05 H new ATOM 0 HG13 VAL A 38 -13.673 -10.511 -2.862 1.00 28.05 H new ATOM 0 HG21 VAL A 38 -14.970 -10.091 -0.106 1.00 31.46 H new ATOM 0 HG22 VAL A 38 -15.413 -9.158 -1.555 1.00 31.46 H new ATOM 0 HG23 VAL A 38 -16.666 -10.036 -0.645 1.00 31.46 H new ATOM 277 N THR A 39 -15.836 -12.399 -5.160 1.00 27.35 N ATOM 278 CA THR A 39 -15.645 -13.536 -6.041 1.00 27.23 C ATOM 279 C THR A 39 -14.170 -13.689 -6.420 1.00 28.27 C ATOM 280 O THR A 39 -13.587 -12.798 -7.038 1.00 28.17 O ATOM 281 CB THR A 39 -16.493 -13.374 -7.315 1.00 32.67 C ATOM 282 OG1 THR A 39 -17.555 -12.438 -7.070 1.00 34.63 O ATOM 283 CG2 THR A 39 -17.082 -14.707 -7.745 1.00 37.07 C ATOM 0 H THR A 39 -15.732 -11.493 -5.617 1.00 27.35 H new ATOM 0 HA THR A 39 -15.964 -14.432 -5.509 1.00 27.23 H new ATOM 0 HB THR A 39 -15.850 -13.004 -8.114 1.00 32.67 H new ATOM 0 HG1 THR A 39 -18.344 -12.917 -6.740 1.00 34.63 H new ATOM 0 HG21 THR A 39 -17.677 -14.568 -8.647 1.00 37.07 H new ATOM 0 HG22 THR A 39 -16.276 -15.413 -7.947 1.00 37.07 H new ATOM 0 HG23 THR A 39 -17.716 -15.098 -6.949 1.00 37.07 H new ATOM 291 N PRO A 40 -13.543 -14.812 -6.037 1.00 26.41 N ATOM 292 CA PRO A 40 -12.132 -15.077 -6.340 1.00 25.74 C ATOM 293 C PRO A 40 -11.869 -15.233 -7.835 1.00 27.33 C ATOM 294 O PRO A 40 -12.716 -15.730 -8.581 1.00 29.54 O ATOM 295 CB PRO A 40 -11.835 -16.395 -5.611 1.00 27.62 C ATOM 296 CG PRO A 40 -12.959 -16.579 -4.649 1.00 30.25 C ATOM 297 CD PRO A 40 -14.150 -15.909 -5.269 1.00 27.97 C ATOM 0 HA PRO A 40 -11.499 -14.248 -6.023 1.00 25.74 H new ATOM 0 HB2 PRO A 40 -11.778 -17.227 -6.312 1.00 27.62 H new ATOM 0 HB3 PRO A 40 -10.878 -16.350 -5.092 1.00 27.62 H new ATOM 0 HG2 PRO A 40 -13.154 -17.637 -4.475 1.00 30.25 H new ATOM 0 HG3 PRO A 40 -12.721 -16.135 -3.682 1.00 30.25 H new ATOM 0 HD2 PRO A 40 -14.709 -16.590 -5.910 1.00 27.97 H new ATOM 0 HD3 PRO A 40 -14.844 -15.539 -4.515 1.00 27.97 H new ATOM 305 N ASP A 41 -10.692 -14.792 -8.266 1.00 27.01 N ATOM 306 CA ASP A 41 -10.295 -14.890 -9.664 1.00 28.40 C ATOM 307 C ASP A 41 -9.791 -16.298 -9.958 1.00 29.86 C ATOM 308 O ASP A 41 -9.162 -16.927 -9.106 1.00 28.83 O ATOM 309 CB ASP A 41 -9.202 -13.867 -9.977 1.00 28.84 C ATOM 310 CG ASP A 41 -9.249 -13.388 -11.412 1.00 32.16 C ATOM 311 OD1 ASP A 41 -9.111 -14.224 -12.332 1.00 34.80 O ATOM 312 OD2 ASP A 41 -9.420 -12.170 -11.628 1.00 35.13 O ATOM 0 H ASP A 41 -9.993 -14.361 -7.662 1.00 27.01 H new ATOM 0 HA ASP A 41 -11.160 -14.680 -10.293 1.00 28.40 H new ATOM 0 HB2 ASP A 41 -9.307 -13.012 -9.309 1.00 28.84 H new ATOM 0 HB3 ASP A 41 -8.226 -14.310 -9.777 1.00 28.84 H new ATOM 317 N LYS A 42 -10.058 -16.780 -11.162 1.00 30.36 N ATOM 318 CA LYS A 42 -9.655 -18.128 -11.552 1.00 30.52 C ATOM 319 C LYS A 42 -8.401 -18.111 -12.417 1.00 29.13 C ATOM 320 O LYS A 42 -7.940 -19.158 -12.876 1.00 33.35 O ATOM 321 CB LYS A 42 -10.787 -18.817 -12.314 1.00 34.43 C ATOM 322 CG LYS A 42 -12.033 -19.048 -11.478 1.00 40.16 C ATOM 323 CD LYS A 42 -13.213 -19.457 -12.342 1.00 53.68 C ATOM 324 CE LYS A 42 -14.460 -19.661 -11.502 1.00 57.99 C ATOM 325 NZ LYS A 42 -15.689 -19.684 -12.333 1.00 50.24 N ATOM 0 H LYS A 42 -10.552 -16.260 -11.888 1.00 30.36 H new ATOM 0 HA LYS A 42 -9.434 -18.681 -10.639 1.00 30.52 H new ATOM 0 HB2 LYS A 42 -11.050 -18.212 -13.182 1.00 34.43 H new ATOM 0 HB3 LYS A 42 -10.429 -19.776 -12.690 1.00 34.43 H new ATOM 0 HG2 LYS A 42 -11.837 -19.823 -10.737 1.00 40.16 H new ATOM 0 HG3 LYS A 42 -12.279 -18.138 -10.930 1.00 40.16 H new ATOM 0 HD2 LYS A 42 -13.399 -18.691 -13.095 1.00 53.68 H new ATOM 0 HD3 LYS A 42 -12.975 -20.377 -12.875 1.00 53.68 H new ATOM 0 HE2 LYS A 42 -14.377 -20.598 -10.951 1.00 57.99 H new ATOM 0 HE3 LYS A 42 -14.535 -18.862 -10.764 1.00 57.99 H new ATOM 0 HZ1 LYS A 42 -16.519 -19.825 -11.722 1.00 50.24 H new ATOM 0 HZ2 LYS A 42 -15.782 -18.781 -12.840 1.00 50.24 H new ATOM 0 HZ3 LYS A 42 -15.629 -20.462 -13.020 1.00 50.24 H new ATOM 339 N ARG A 43 -7.852 -16.930 -12.643 1.00 27.87 N ATOM 340 CA ARG A 43 -6.659 -16.802 -13.467 1.00 26.95 C ATOM 341 C ARG A 43 -5.394 -16.897 -12.622 1.00 27.24 C ATOM 342 O ARG A 43 -5.391 -16.534 -11.442 1.00 26.67 O ATOM 343 CB ARG A 43 -6.676 -15.477 -14.229 1.00 29.39 C ATOM 344 CG ARG A 43 -7.832 -15.359 -15.212 1.00 31.56 C ATOM 345 CD ARG A 43 -7.982 -13.938 -15.725 1.00 30.38 C ATOM 346 NE ARG A 43 -8.265 -12.999 -14.645 1.00 29.25 N ATOM 347 CZ ARG A 43 -8.070 -11.689 -14.729 1.00 29.05 C ATOM 348 NH1 ARG A 43 -7.636 -11.147 -15.862 1.00 37.71 N ATOM 349 NH2 ARG A 43 -8.329 -10.920 -13.680 1.00 30.67 N ATOM 0 H ARG A 43 -8.209 -16.050 -12.271 1.00 27.87 H new ATOM 0 HA ARG A 43 -6.658 -17.625 -14.182 1.00 26.95 H new ATOM 0 HB2 ARG A 43 -6.732 -14.656 -13.514 1.00 29.39 H new ATOM 0 HB3 ARG A 43 -5.736 -15.365 -14.770 1.00 29.39 H new ATOM 0 HG2 ARG A 43 -7.668 -16.035 -16.051 1.00 31.56 H new ATOM 0 HG3 ARG A 43 -8.757 -15.672 -14.727 1.00 31.56 H new ATOM 0 HD2 ARG A 43 -7.068 -13.638 -16.237 1.00 30.38 H new ATOM 0 HD3 ARG A 43 -8.786 -13.900 -16.460 1.00 30.38 H new ATOM 0 HE ARG A 43 -8.636 -13.372 -13.771 1.00 29.25 H new ATOM 0 HH11 ARG A 43 -7.451 -11.738 -16.672 1.00 37.71 H new ATOM 0 HH12 ARG A 43 -7.488 -10.140 -15.921 1.00 37.71 H new ATOM 0 HH21 ARG A 43 -8.676 -11.336 -12.816 1.00 30.67 H new ATOM 0 HH22 ARG A 43 -8.181 -9.912 -13.737 1.00 30.67 H new ATOM 363 N LYS A 44 -4.331 -17.412 -13.223 1.00 27.38 N ATOM 364 CA LYS A 44 -3.054 -17.536 -12.538 1.00 24.82 C ATOM 365 C LYS A 44 -2.386 -16.169 -12.467 1.00 25.07 C ATOM 366 O LYS A 44 -1.885 -15.658 -13.469 1.00 25.72 O ATOM 367 CB LYS A 44 -2.140 -18.531 -13.258 1.00 31.68 C ATOM 368 CG LYS A 44 -2.663 -19.958 -13.272 1.00 36.95 C ATOM 369 CD LYS A 44 -1.549 -20.946 -13.585 1.00 40.69 C ATOM 370 CE LYS A 44 -2.083 -22.358 -13.760 1.00 45.64 C ATOM 371 NZ LYS A 44 -0.990 -23.367 -13.752 1.00 49.09 N ATOM 0 H LYS A 44 -4.328 -17.751 -14.185 1.00 27.38 H new ATOM 0 HA LYS A 44 -3.232 -17.911 -11.530 1.00 24.82 H new ATOM 0 HB2 LYS A 44 -1.997 -18.198 -14.286 1.00 31.68 H new ATOM 0 HB3 LYS A 44 -1.160 -18.519 -12.780 1.00 31.68 H new ATOM 0 HG2 LYS A 44 -3.104 -20.197 -12.304 1.00 36.95 H new ATOM 0 HG3 LYS A 44 -3.455 -20.051 -14.015 1.00 36.95 H new ATOM 0 HD2 LYS A 44 -1.033 -20.637 -14.494 1.00 40.69 H new ATOM 0 HD3 LYS A 44 -0.814 -20.932 -12.781 1.00 40.69 H new ATOM 0 HE2 LYS A 44 -2.789 -22.581 -12.960 1.00 45.64 H new ATOM 0 HE3 LYS A 44 -2.633 -22.425 -14.699 1.00 45.64 H new ATOM 0 HZ1 LYS A 44 -1.394 -24.318 -13.874 1.00 49.09 H new ATOM 0 HZ2 LYS A 44 -0.329 -23.169 -14.530 1.00 49.09 H new ATOM 0 HZ3 LYS A 44 -0.481 -23.321 -12.846 1.00 49.09 H new ATOM 385 N GLY A 45 -2.387 -15.575 -11.287 1.00 25.23 N ATOM 386 CA GLY A 45 -1.802 -14.265 -11.131 1.00 22.86 C ATOM 387 C GLY A 45 -0.492 -14.280 -10.384 1.00 20.43 C ATOM 388 O GLY A 45 -0.158 -15.248 -9.695 1.00 22.06 O ATOM 0 H GLY A 45 -2.782 -15.976 -10.436 1.00 25.23 H new ATOM 0 HA2 GLY A 45 -1.645 -13.825 -12.116 1.00 22.86 H new ATOM 0 HA3 GLY A 45 -2.506 -13.621 -10.603 1.00 22.86 H new ATOM 392 N LEU A 46 0.258 -13.210 -10.550 1.00 20.38 N ATOM 393 CA LEU A 46 1.537 -13.050 -9.893 1.00 20.77 C ATOM 394 C LEU A 46 1.544 -11.754 -9.097 1.00 23.10 C ATOM 395 O LEU A 46 1.463 -10.663 -9.667 1.00 23.65 O ATOM 396 CB LEU A 46 2.668 -13.033 -10.924 1.00 23.04 C ATOM 397 CG LEU A 46 4.075 -12.895 -10.342 1.00 26.36 C ATOM 398 CD1 LEU A 46 4.669 -14.264 -10.047 1.00 27.21 C ATOM 399 CD2 LEU A 46 4.971 -12.116 -11.292 1.00 26.03 C ATOM 0 H LEU A 46 -0.004 -12.425 -11.146 1.00 20.38 H new ATOM 0 HA LEU A 46 1.694 -13.891 -9.218 1.00 20.77 H new ATOM 0 HB2 LEU A 46 2.621 -13.953 -11.507 1.00 23.04 H new ATOM 0 HB3 LEU A 46 2.495 -12.209 -11.616 1.00 23.04 H new ATOM 0 HG LEU A 46 4.006 -12.343 -9.405 1.00 26.36 H new ATOM 0 HD11 LEU A 46 5.670 -14.145 -9.634 1.00 27.21 H new ATOM 0 HD12 LEU A 46 4.039 -14.786 -9.327 1.00 27.21 H new ATOM 0 HD13 LEU A 46 4.724 -14.843 -10.969 1.00 27.21 H new ATOM 0 HD21 LEU A 46 5.968 -12.028 -10.861 1.00 26.03 H new ATOM 0 HD22 LEU A 46 5.033 -12.640 -12.246 1.00 26.03 H new ATOM 0 HD23 LEU A 46 4.555 -11.121 -11.451 1.00 26.03 H new ATOM 411 N VAL A 47 1.615 -11.877 -7.784 1.00 21.70 N ATOM 412 CA VAL A 47 1.644 -10.714 -6.917 1.00 22.89 C ATOM 413 C VAL A 47 3.085 -10.289 -6.713 1.00 23.42 C ATOM 414 O VAL A 47 3.919 -11.092 -6.289 1.00 22.22 O ATOM 415 CB VAL A 47 0.990 -10.998 -5.550 1.00 20.99 C ATOM 416 CG1 VAL A 47 1.165 -9.813 -4.614 1.00 24.03 C ATOM 417 CG2 VAL A 47 -0.483 -11.323 -5.722 1.00 19.99 C ATOM 0 H VAL A 47 1.654 -12.771 -7.295 1.00 21.70 H new ATOM 0 HA VAL A 47 1.073 -9.918 -7.395 1.00 22.89 H new ATOM 0 HB VAL A 47 1.486 -11.862 -5.107 1.00 20.99 H new ATOM 0 HG11 VAL A 47 0.696 -10.034 -3.655 1.00 24.03 H new ATOM 0 HG12 VAL A 47 2.228 -9.622 -4.463 1.00 24.03 H new ATOM 0 HG13 VAL A 47 0.697 -8.931 -5.052 1.00 24.03 H new ATOM 0 HG21 VAL A 47 -0.928 -11.521 -4.747 1.00 19.99 H new ATOM 0 HG22 VAL A 47 -0.990 -10.478 -6.188 1.00 19.99 H new ATOM 0 HG23 VAL A 47 -0.590 -12.204 -6.355 1.00 19.99 H new ATOM 427 N TYR A 48 3.385 -9.042 -7.033 1.00 22.85 N ATOM 428 CA TYR A 48 4.736 -8.546 -6.890 1.00 23.49 C ATOM 429 C TYR A 48 4.753 -7.125 -6.344 1.00 21.86 C ATOM 430 O TYR A 48 3.815 -6.350 -6.545 1.00 23.94 O ATOM 431 CB TYR A 48 5.464 -8.608 -8.239 1.00 25.01 C ATOM 432 CG TYR A 48 5.039 -7.539 -9.226 1.00 28.77 C ATOM 433 CD1 TYR A 48 3.955 -7.732 -10.075 1.00 30.08 C ATOM 434 CD2 TYR A 48 5.730 -6.337 -9.309 1.00 31.32 C ATOM 435 CE1 TYR A 48 3.574 -6.754 -10.976 1.00 31.24 C ATOM 436 CE2 TYR A 48 5.355 -5.357 -10.206 1.00 31.62 C ATOM 437 CZ TYR A 48 4.278 -5.569 -11.036 1.00 33.90 C ATOM 438 OH TYR A 48 3.909 -4.591 -11.932 1.00 40.45 O ATOM 0 H TYR A 48 2.715 -8.362 -7.391 1.00 22.85 H new ATOM 0 HA TYR A 48 5.255 -9.182 -6.173 1.00 23.49 H new ATOM 0 HB2 TYR A 48 6.536 -8.519 -8.065 1.00 25.01 H new ATOM 0 HB3 TYR A 48 5.294 -9.587 -8.686 1.00 25.01 H new ATOM 0 HD1 TYR A 48 3.402 -8.659 -10.030 1.00 30.08 H new ATOM 0 HD2 TYR A 48 6.576 -6.166 -8.660 1.00 31.32 H new ATOM 0 HE1 TYR A 48 2.730 -6.917 -11.629 1.00 31.24 H new ATOM 0 HE2 TYR A 48 5.904 -4.428 -10.256 1.00 31.62 H new ATOM 0 HH TYR A 48 3.413 -3.888 -11.463 1.00 40.45 H new ATOM 448 N ILE A 49 5.826 -6.803 -5.641 1.00 22.39 N ATOM 449 CA ILE A 49 6.014 -5.478 -5.076 1.00 23.58 C ATOM 450 C ILE A 49 7.185 -4.801 -5.773 1.00 27.61 C ATOM 451 O ILE A 49 8.301 -5.325 -5.770 1.00 27.30 O ATOM 452 CB ILE A 49 6.290 -5.539 -3.562 1.00 25.90 C ATOM 453 CG1 ILE A 49 5.213 -6.367 -2.856 1.00 27.10 C ATOM 454 CG2 ILE A 49 6.347 -4.134 -2.979 1.00 27.09 C ATOM 455 CD1 ILE A 49 5.487 -6.577 -1.387 1.00 25.36 C ATOM 0 H ILE A 49 6.589 -7.451 -5.446 1.00 22.39 H new ATOM 0 HA ILE A 49 5.096 -4.910 -5.228 1.00 23.58 H new ATOM 0 HB ILE A 49 7.255 -6.021 -3.403 1.00 25.90 H new ATOM 0 HG12 ILE A 49 4.250 -5.870 -2.971 1.00 27.10 H new ATOM 0 HG13 ILE A 49 5.132 -7.338 -3.345 1.00 27.10 H new ATOM 0 HG21 ILE A 49 6.543 -4.192 -1.908 1.00 27.09 H new ATOM 0 HG22 ILE A 49 7.145 -3.571 -3.464 1.00 27.09 H new ATOM 0 HG23 ILE A 49 5.394 -3.631 -3.147 1.00 27.09 H new ATOM 0 HD11 ILE A 49 4.685 -7.171 -0.949 1.00 25.36 H new ATOM 0 HD12 ILE A 49 6.435 -7.101 -1.265 1.00 25.36 H new ATOM 0 HD13 ILE A 49 5.539 -5.611 -0.885 1.00 25.36 H new ATOM 467 N GLN A 50 6.933 -3.654 -6.375 1.00 27.71 N ATOM 468 CA GLN A 50 7.971 -2.937 -7.093 1.00 32.14 C ATOM 469 C GLN A 50 8.261 -1.578 -6.458 1.00 32.00 C ATOM 470 O GLN A 50 7.344 -0.808 -6.173 1.00 30.85 O ATOM 471 CB GLN A 50 7.545 -2.757 -8.551 1.00 36.37 C ATOM 472 CG GLN A 50 8.505 -1.919 -9.382 1.00 39.34 C ATOM 473 CD GLN A 50 7.947 -1.592 -10.754 1.00 45.99 C ATOM 474 OE1 GLN A 50 6.731 -1.496 -10.938 1.00 55.21 O ATOM 475 NE2 GLN A 50 8.828 -1.415 -11.726 1.00 53.40 N ATOM 0 H GLN A 50 6.020 -3.199 -6.382 1.00 27.71 H new ATOM 0 HA GLN A 50 8.889 -3.523 -7.044 1.00 32.14 H new ATOM 0 HB2 GLN A 50 7.445 -3.739 -9.013 1.00 36.37 H new ATOM 0 HB3 GLN A 50 6.560 -2.292 -8.575 1.00 36.37 H new ATOM 0 HG2 GLN A 50 8.726 -0.992 -8.852 1.00 39.34 H new ATOM 0 HG3 GLN A 50 9.447 -2.455 -9.494 1.00 39.34 H new ATOM 0 HE21 GLN A 50 9.826 -1.503 -11.532 1.00 53.40 H new ATOM 0 HE22 GLN A 50 8.509 -1.190 -12.669 1.00 53.40 H new ATOM 484 N GLN A 51 9.541 -1.305 -6.227 1.00 32.95 N ATOM 485 CA GLN A 51 9.967 -0.033 -5.660 1.00 32.74 C ATOM 486 C GLN A 51 10.660 0.778 -6.745 1.00 36.30 C ATOM 487 O GLN A 51 11.868 0.658 -6.961 1.00 38.61 O ATOM 488 CB GLN A 51 10.902 -0.247 -4.464 1.00 33.49 C ATOM 489 CG GLN A 51 11.173 1.024 -3.671 1.00 36.02 C ATOM 490 CD GLN A 51 11.913 0.766 -2.371 1.00 40.59 C ATOM 491 OE1 GLN A 51 12.713 -0.165 -2.265 1.00 47.50 O ATOM 492 NE2 GLN A 51 11.650 1.591 -1.369 1.00 36.66 N ATOM 0 H GLN A 51 10.304 -1.952 -6.425 1.00 32.95 H new ATOM 0 HA GLN A 51 9.094 0.509 -5.296 1.00 32.74 H new ATOM 0 HB2 GLN A 51 10.466 -0.994 -3.801 1.00 33.49 H new ATOM 0 HB3 GLN A 51 11.849 -0.652 -4.821 1.00 33.49 H new ATOM 0 HG2 GLN A 51 11.756 1.711 -4.284 1.00 36.02 H new ATOM 0 HG3 GLN A 51 10.226 1.518 -3.452 1.00 36.02 H new ATOM 0 HE21 GLN A 51 10.981 2.350 -1.496 1.00 36.66 H new ATOM 0 HE22 GLN A 51 12.116 1.467 -0.470 1.00 36.66 H new ATOM 501 N THR A 52 9.880 1.583 -7.440 1.00 32.79 N ATOM 502 CA THR A 52 10.387 2.394 -8.532 1.00 35.62 C ATOM 503 C THR A 52 11.219 3.586 -8.050 1.00 34.85 C ATOM 504 O THR A 52 11.364 3.817 -6.843 1.00 33.85 O ATOM 505 CB THR A 52 9.216 2.879 -9.395 1.00 36.57 C ATOM 506 OG1 THR A 52 8.006 2.840 -8.619 1.00 36.03 O ATOM 507 CG2 THR A 52 9.062 2.003 -10.626 1.00 36.33 C ATOM 0 H THR A 52 8.881 1.694 -7.265 1.00 32.79 H new ATOM 0 HA THR A 52 11.054 1.766 -9.123 1.00 35.62 H new ATOM 0 HB THR A 52 9.415 3.901 -9.719 1.00 36.57 H new ATOM 0 HG1 THR A 52 8.070 3.481 -7.881 1.00 36.03 H new ATOM 0 HG21 THR A 52 8.226 2.363 -11.226 1.00 36.33 H new ATOM 0 HG22 THR A 52 9.977 2.042 -11.217 1.00 36.33 H new ATOM 0 HG23 THR A 52 8.872 0.974 -10.319 1.00 36.33 H new ATOM 515 N ASP A 53 11.756 4.342 -9.010 1.00 40.95 N ATOM 516 CA ASP A 53 12.594 5.512 -8.727 1.00 43.16 C ATOM 517 C ASP A 53 11.824 6.584 -7.967 1.00 43.44 C ATOM 518 O ASP A 53 12.417 7.439 -7.310 1.00 42.75 O ATOM 519 CB ASP A 53 13.142 6.100 -10.033 1.00 50.66 C ATOM 520 CG ASP A 53 12.212 7.131 -10.654 1.00 58.97 C ATOM 521 OD1 ASP A 53 11.112 6.752 -11.103 1.00 70.66 O ATOM 522 OD2 ASP A 53 12.584 8.325 -10.696 1.00 70.60 O ATOM 0 H ASP A 53 11.623 4.162 -10.005 1.00 40.95 H new ATOM 0 HA ASP A 53 13.421 5.179 -8.100 1.00 43.16 H new ATOM 0 HB2 ASP A 53 14.110 6.561 -9.840 1.00 50.66 H new ATOM 0 HB3 ASP A 53 13.310 5.293 -10.746 1.00 50.66 H new ATOM 527 N ASP A 54 10.503 6.523 -8.050 1.00 39.48 N ATOM 528 CA ASP A 54 9.638 7.482 -7.372 1.00 39.12 C ATOM 529 C ASP A 54 9.643 7.249 -5.864 1.00 37.04 C ATOM 530 O ASP A 54 9.072 8.033 -5.107 1.00 37.46 O ATOM 531 CB ASP A 54 8.207 7.399 -7.915 1.00 40.13 C ATOM 532 CG ASP A 54 7.742 5.977 -8.172 1.00 38.54 C ATOM 533 OD1 ASP A 54 7.928 5.107 -7.294 1.00 36.07 O ATOM 534 OD2 ASP A 54 7.193 5.722 -9.268 1.00 42.19 O ATOM 0 H ASP A 54 10.002 5.814 -8.585 1.00 39.48 H new ATOM 0 HA ASP A 54 10.028 8.481 -7.568 1.00 39.12 H new ATOM 0 HB2 ASP A 54 7.529 7.873 -7.205 1.00 40.13 H new ATOM 0 HB3 ASP A 54 8.145 7.967 -8.843 1.00 40.13 H new ATOM 539 N SER A 55 10.298 6.164 -5.444 1.00 33.99 N ATOM 540 CA SER A 55 10.406 5.798 -4.033 1.00 31.71 C ATOM 541 C SER A 55 9.039 5.427 -3.458 1.00 28.99 C ATOM 542 O SER A 55 8.846 5.414 -2.239 1.00 29.99 O ATOM 543 CB SER A 55 11.043 6.940 -3.228 1.00 40.69 C ATOM 544 OG SER A 55 12.112 7.535 -3.952 1.00 39.56 O ATOM 0 H SER A 55 10.768 5.515 -6.075 1.00 33.99 H new ATOM 0 HA SER A 55 11.051 4.922 -3.957 1.00 31.71 H new ATOM 0 HB2 SER A 55 10.289 7.694 -2.999 1.00 40.69 H new ATOM 0 HB3 SER A 55 11.411 6.558 -2.276 1.00 40.69 H new ATOM 0 HG SER A 55 12.502 8.261 -3.422 1.00 39.56 H new ATOM 550 N LEU A 56 8.096 5.123 -4.343 1.00 31.45 N ATOM 551 CA LEU A 56 6.755 4.746 -3.934 1.00 28.30 C ATOM 552 C LEU A 56 6.570 3.242 -4.077 1.00 28.13 C ATOM 553 O LEU A 56 6.778 2.684 -5.158 1.00 30.03 O ATOM 554 CB LEU A 56 5.703 5.474 -4.778 1.00 29.92 C ATOM 555 CG LEU A 56 5.967 6.959 -5.031 1.00 28.23 C ATOM 556 CD1 LEU A 56 4.934 7.525 -5.990 1.00 31.16 C ATOM 557 CD2 LEU A 56 5.958 7.735 -3.729 1.00 29.13 C ATOM 0 H LEU A 56 8.240 5.132 -5.353 1.00 31.45 H new ATOM 0 HA LEU A 56 6.625 5.032 -2.890 1.00 28.30 H new ATOM 0 HB2 LEU A 56 5.623 4.969 -5.741 1.00 29.92 H new ATOM 0 HB3 LEU A 56 4.736 5.375 -4.285 1.00 29.92 H new ATOM 0 HG LEU A 56 6.954 7.058 -5.483 1.00 28.23 H new ATOM 0 HD11 LEU A 56 5.136 8.583 -6.160 1.00 31.16 H new ATOM 0 HD12 LEU A 56 4.985 6.989 -6.938 1.00 31.16 H new ATOM 0 HD13 LEU A 56 3.938 7.410 -5.562 1.00 31.16 H new ATOM 0 HD21 LEU A 56 6.148 8.789 -3.932 1.00 29.13 H new ATOM 0 HD22 LEU A 56 4.986 7.628 -3.248 1.00 29.13 H new ATOM 0 HD23 LEU A 56 6.734 7.347 -3.069 1.00 29.13 H new ATOM 569 N ILE A 57 6.192 2.592 -2.987 1.00 26.76 N ATOM 570 CA ILE A 57 5.973 1.153 -2.996 1.00 25.89 C ATOM 571 C ILE A 57 4.768 0.824 -3.869 1.00 27.00 C ATOM 572 O ILE A 57 3.681 1.363 -3.674 1.00 27.45 O ATOM 573 CB ILE A 57 5.746 0.606 -1.572 1.00 27.42 C ATOM 574 CG1 ILE A 57 6.853 1.089 -0.624 1.00 31.55 C ATOM 575 CG2 ILE A 57 5.684 -0.913 -1.596 1.00 28.59 C ATOM 576 CD1 ILE A 57 8.244 0.624 -1.014 1.00 37.28 C ATOM 0 H ILE A 57 6.030 3.038 -2.084 1.00 26.76 H new ATOM 0 HA ILE A 57 6.867 0.678 -3.401 1.00 25.89 H new ATOM 0 HB ILE A 57 4.794 0.986 -1.202 1.00 27.42 H new ATOM 0 HG12 ILE A 57 6.841 2.178 -0.592 1.00 31.55 H new ATOM 0 HG13 ILE A 57 6.633 0.738 0.384 1.00 31.55 H new ATOM 0 HG21 ILE A 57 5.523 -1.287 -0.585 1.00 28.59 H new ATOM 0 HG22 ILE A 57 4.862 -1.234 -2.236 1.00 28.59 H new ATOM 0 HG23 ILE A 57 6.622 -1.309 -1.985 1.00 28.59 H new ATOM 0 HD11 ILE A 57 8.970 1.006 -0.296 1.00 37.28 H new ATOM 0 HD12 ILE A 57 8.276 -0.466 -1.017 1.00 37.28 H new ATOM 0 HD13 ILE A 57 8.487 0.997 -2.009 1.00 37.28 H new ATOM 588 N HIS A 58 4.964 -0.038 -4.850 1.00 26.83 N ATOM 589 CA HIS A 58 3.883 -0.400 -5.748 1.00 24.25 C ATOM 590 C HIS A 58 3.505 -1.865 -5.621 1.00 29.20 C ATOM 591 O HIS A 58 4.311 -2.757 -5.890 1.00 26.43 O ATOM 592 CB HIS A 58 4.257 -0.075 -7.193 1.00 27.78 C ATOM 593 CG HIS A 58 3.998 1.350 -7.559 1.00 33.31 C ATOM 594 ND1 HIS A 58 4.888 2.370 -7.300 1.00 38.84 N ATOM 595 CD2 HIS A 58 2.933 1.926 -8.160 1.00 29.13 C ATOM 596 CE1 HIS A 58 4.382 3.511 -7.727 1.00 32.16 C ATOM 597 NE2 HIS A 58 3.196 3.270 -8.254 1.00 37.59 N ATOM 0 H HIS A 58 5.854 -0.497 -5.044 1.00 26.83 H new ATOM 0 HA HIS A 58 3.013 0.191 -5.462 1.00 24.25 H new ATOM 0 HB2 HIS A 58 5.313 -0.297 -7.348 1.00 27.78 H new ATOM 0 HB3 HIS A 58 3.693 -0.724 -7.863 1.00 27.78 H new ATOM 0 HD1 HIS A 58 5.796 2.260 -6.849 1.00 38.84 H new ATOM 0 HD2 HIS A 58 2.041 1.422 -8.503 1.00 29.13 H new ATOM 0 HE1 HIS A 58 4.857 4.478 -7.657 1.00 32.16 H new ATOM 606 N PHE A 59 2.278 -2.092 -5.186 1.00 24.93 N ATOM 607 CA PHE A 59 1.736 -3.433 -5.043 1.00 24.00 C ATOM 608 C PHE A 59 0.845 -3.690 -6.246 1.00 24.90 C ATOM 609 O PHE A 59 -0.239 -3.113 -6.357 1.00 22.76 O ATOM 610 CB PHE A 59 0.940 -3.538 -3.737 1.00 22.07 C ATOM 611 CG PHE A 59 0.487 -4.925 -3.381 1.00 22.53 C ATOM 612 CD1 PHE A 59 1.326 -5.785 -2.691 1.00 23.94 C ATOM 613 CD2 PHE A 59 -0.788 -5.359 -3.713 1.00 23.49 C ATOM 614 CE1 PHE A 59 0.904 -7.051 -2.337 1.00 24.34 C ATOM 615 CE2 PHE A 59 -1.213 -6.627 -3.366 1.00 25.32 C ATOM 616 CZ PHE A 59 -0.367 -7.474 -2.676 1.00 23.59 C ATOM 0 H PHE A 59 1.628 -1.351 -4.922 1.00 24.93 H new ATOM 0 HA PHE A 59 2.532 -4.177 -5.001 1.00 24.00 H new ATOM 0 HB2 PHE A 59 1.553 -3.152 -2.923 1.00 22.07 H new ATOM 0 HB3 PHE A 59 0.064 -2.893 -3.810 1.00 22.07 H new ATOM 0 HD1 PHE A 59 2.322 -5.461 -2.427 1.00 23.94 H new ATOM 0 HD2 PHE A 59 -1.455 -4.699 -4.248 1.00 23.49 H new ATOM 0 HE1 PHE A 59 1.567 -7.710 -1.796 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -2.206 -6.956 -3.634 1.00 25.32 H new ATOM 0 HZ PHE A 59 -0.699 -8.465 -2.402 1.00 23.59 H new ATOM 626 N CYS A 60 1.305 -4.522 -7.162 1.00 24.92 N ATOM 627 CA CYS A 60 0.550 -4.780 -8.369 1.00 24.28 C ATOM 628 C CYS A 60 0.289 -6.265 -8.584 1.00 22.52 C ATOM 629 O CYS A 60 1.046 -7.122 -8.122 1.00 22.77 O ATOM 630 CB CYS A 60 1.301 -4.207 -9.572 1.00 25.29 C ATOM 631 SG CYS A 60 2.302 -2.744 -9.202 1.00 29.25 S ATOM 0 H CYS A 60 2.189 -5.025 -7.093 1.00 24.92 H new ATOM 0 HA CYS A 60 -0.420 -4.294 -8.261 1.00 24.28 H new ATOM 0 HB2 CYS A 60 1.949 -4.981 -9.983 1.00 25.29 H new ATOM 0 HB3 CYS A 60 0.579 -3.951 -10.348 1.00 25.29 H new ATOM 0 HG CYS A 60 1.558 -1.680 -9.270 1.00 29.25 H new ATOM 637 N TRP A 61 -0.796 -6.549 -9.290 1.00 21.73 N ATOM 638 CA TRP A 61 -1.180 -7.914 -9.612 1.00 24.21 C ATOM 639 C TRP A 61 -1.076 -8.117 -11.116 1.00 23.19 C ATOM 640 O TRP A 61 -1.851 -7.544 -11.888 1.00 23.71 O ATOM 641 CB TRP A 61 -2.609 -8.204 -9.135 1.00 23.71 C ATOM 642 CG TRP A 61 -3.009 -9.645 -9.271 1.00 21.67 C ATOM 643 CD1 TRP A 61 -2.754 -10.651 -8.386 1.00 22.32 C ATOM 644 CD2 TRP A 61 -3.739 -10.241 -10.353 1.00 21.21 C ATOM 645 NE1 TRP A 61 -3.276 -11.834 -8.848 1.00 20.93 N ATOM 646 CE2 TRP A 61 -3.885 -11.607 -10.056 1.00 21.69 C ATOM 647 CE3 TRP A 61 -4.279 -9.750 -11.548 1.00 23.41 C ATOM 648 CZ2 TRP A 61 -4.553 -12.487 -10.904 1.00 24.22 C ATOM 649 CZ3 TRP A 61 -4.939 -10.624 -12.388 1.00 22.81 C ATOM 650 CH2 TRP A 61 -5.071 -11.978 -12.064 1.00 22.79 C ATOM 0 H TRP A 61 -1.433 -5.841 -9.655 1.00 21.73 H new ATOM 0 HA TRP A 61 -0.509 -8.604 -9.101 1.00 24.21 H new ATOM 0 HB2 TRP A 61 -2.701 -7.907 -8.090 1.00 23.71 H new ATOM 0 HB3 TRP A 61 -3.305 -7.587 -9.704 1.00 23.71 H new ATOM 0 HD1 TRP A 61 -2.218 -10.534 -7.455 1.00 22.32 H new ATOM 0 HE1 TRP A 61 -3.220 -12.734 -8.371 1.00 20.93 H new ATOM 0 HE3 TRP A 61 -4.181 -8.706 -11.808 1.00 23.41 H new ATOM 0 HZ2 TRP A 61 -4.658 -13.533 -10.655 1.00 24.22 H new ATOM 0 HZ3 TRP A 61 -5.361 -10.256 -13.312 1.00 22.81 H new ATOM 0 HH2 TRP A 61 -5.593 -12.636 -12.743 1.00 22.79 H new ATOM 661 N LYS A 62 -0.105 -8.912 -11.531 1.00 23.00 N ATOM 662 CA LYS A 62 0.105 -9.174 -12.944 1.00 25.78 C ATOM 663 C LYS A 62 -0.393 -10.565 -13.314 1.00 27.19 C ATOM 664 O LYS A 62 -0.024 -11.552 -12.683 1.00 24.10 O ATOM 665 CB LYS A 62 1.593 -9.032 -13.293 1.00 30.99 C ATOM 666 CG LYS A 62 1.916 -9.312 -14.752 1.00 37.82 C ATOM 667 CD LYS A 62 3.416 -9.320 -14.998 1.00 35.10 C ATOM 668 CE LYS A 62 3.742 -9.760 -16.414 1.00 48.03 C ATOM 669 NZ LYS A 62 5.206 -9.875 -16.638 1.00 48.74 N ATOM 0 H LYS A 62 0.550 -9.387 -10.910 1.00 23.00 H new ATOM 0 HA LYS A 62 -0.464 -8.443 -13.518 1.00 25.78 H new ATOM 0 HB2 LYS A 62 1.918 -8.021 -13.047 1.00 30.99 H new ATOM 0 HB3 LYS A 62 2.169 -9.713 -12.667 1.00 30.99 H new ATOM 0 HG2 LYS A 62 1.494 -10.274 -15.041 1.00 37.82 H new ATOM 0 HG3 LYS A 62 1.447 -8.556 -15.381 1.00 37.82 H new ATOM 0 HD2 LYS A 62 3.820 -8.323 -14.823 1.00 35.10 H new ATOM 0 HD3 LYS A 62 3.899 -9.990 -14.287 1.00 35.10 H new ATOM 0 HE2 LYS A 62 3.268 -10.721 -16.613 1.00 48.03 H new ATOM 0 HE3 LYS A 62 3.322 -9.045 -17.122 1.00 48.03 H new ATOM 0 HZ1 LYS A 62 5.385 -10.178 -17.617 1.00 48.74 H new ATOM 0 HZ2 LYS A 62 5.656 -8.952 -16.473 1.00 48.74 H new ATOM 0 HZ3 LYS A 62 5.604 -10.576 -15.981 1.00 48.74 H new ATOM 683 N ASP A 63 -1.244 -10.633 -14.325 1.00 25.78 N ATOM 684 CA ASP A 63 -1.773 -11.906 -14.791 1.00 25.28 C ATOM 685 C ASP A 63 -0.696 -12.636 -15.584 1.00 27.61 C ATOM 686 O ASP A 63 -0.113 -12.073 -16.508 1.00 28.08 O ATOM 687 CB ASP A 63 -3.025 -11.687 -15.647 1.00 27.58 C ATOM 688 CG ASP A 63 -3.349 -12.875 -16.529 1.00 32.53 C ATOM 689 OD1 ASP A 63 -3.449 -14.005 -16.016 1.00 43.65 O ATOM 690 OD2 ASP A 63 -3.503 -12.682 -17.753 1.00 44.29 O ATOM 0 H ASP A 63 -1.584 -9.821 -14.840 1.00 25.78 H new ATOM 0 HA ASP A 63 -2.059 -12.515 -13.933 1.00 25.28 H new ATOM 0 HB2 ASP A 63 -3.874 -11.482 -14.995 1.00 27.58 H new ATOM 0 HB3 ASP A 63 -2.883 -10.805 -16.271 1.00 27.58 H new ATOM 695 N ARG A 64 -0.441 -13.884 -15.224 1.00 25.21 N ATOM 696 CA ARG A 64 0.593 -14.677 -15.881 1.00 26.58 C ATOM 697 C ARG A 64 0.138 -15.193 -17.242 1.00 32.09 C ATOM 698 O ARG A 64 0.959 -15.597 -18.068 1.00 35.96 O ATOM 699 CB ARG A 64 0.987 -15.857 -14.992 1.00 26.02 C ATOM 700 CG ARG A 64 1.760 -15.455 -13.748 1.00 23.07 C ATOM 701 CD ARG A 64 1.410 -16.343 -12.564 1.00 26.59 C ATOM 702 NE ARG A 64 1.654 -17.758 -12.834 1.00 24.42 N ATOM 703 CZ ARG A 64 1.250 -18.750 -12.044 1.00 28.00 C ATOM 704 NH1 ARG A 64 0.552 -18.490 -10.941 1.00 26.89 N ATOM 705 NH2 ARG A 64 1.533 -20.004 -12.361 1.00 28.46 N ATOM 0 H ARG A 64 -0.936 -14.373 -14.478 1.00 25.21 H new ATOM 0 HA ARG A 64 1.453 -14.027 -16.041 1.00 26.58 H new ATOM 0 HB2 ARG A 64 0.085 -16.391 -14.692 1.00 26.02 H new ATOM 0 HB3 ARG A 64 1.590 -16.553 -15.574 1.00 26.02 H new ATOM 0 HG2 ARG A 64 2.830 -15.517 -13.947 1.00 23.07 H new ATOM 0 HG3 ARG A 64 1.541 -14.416 -13.502 1.00 23.07 H new ATOM 0 HD2 ARG A 64 1.996 -16.036 -11.698 1.00 26.59 H new ATOM 0 HD3 ARG A 64 0.361 -16.201 -12.306 1.00 26.59 H new ATOM 0 HE ARG A 64 2.166 -18.001 -13.682 1.00 24.42 H new ATOM 0 HH11 ARG A 64 0.324 -17.526 -10.697 1.00 26.89 H new ATOM 0 HH12 ARG A 64 0.245 -19.255 -10.340 1.00 26.89 H new ATOM 0 HH21 ARG A 64 2.060 -20.209 -13.210 1.00 28.46 H new ATOM 0 HH22 ARG A 64 1.224 -20.765 -11.756 1.00 28.46 H new ATOM 719 N THR A 65 -1.163 -15.174 -17.476 1.00 33.44 N ATOM 720 CA THR A 65 -1.718 -15.664 -18.727 1.00 36.88 C ATOM 721 C THR A 65 -1.453 -14.702 -19.890 1.00 39.61 C ATOM 722 O THR A 65 -0.968 -15.112 -20.945 1.00 43.46 O ATOM 723 CB THR A 65 -3.230 -15.906 -18.584 1.00 37.93 C ATOM 724 OG1 THR A 65 -3.525 -16.311 -17.236 1.00 37.86 O ATOM 725 CG2 THR A 65 -3.701 -16.976 -19.555 1.00 41.05 C ATOM 0 H THR A 65 -1.856 -14.824 -16.815 1.00 33.44 H new ATOM 0 HA THR A 65 -1.218 -16.606 -18.954 1.00 36.88 H new ATOM 0 HB THR A 65 -3.754 -14.978 -18.814 1.00 37.93 H new ATOM 0 HG1 THR A 65 -3.670 -15.517 -16.680 1.00 37.86 H new ATOM 0 HG21 THR A 65 -4.773 -17.130 -19.435 1.00 41.05 H new ATOM 0 HG22 THR A 65 -3.492 -16.658 -20.576 1.00 41.05 H new ATOM 0 HG23 THR A 65 -3.176 -17.909 -19.351 1.00 41.05 H new ATOM 733 N SER A 66 -1.771 -13.429 -19.703 1.00 37.37 N ATOM 734 CA SER A 66 -1.562 -12.439 -20.755 1.00 38.86 C ATOM 735 C SER A 66 -0.312 -11.599 -20.502 1.00 40.19 C ATOM 736 O SER A 66 0.353 -11.161 -21.444 1.00 43.03 O ATOM 737 CB SER A 66 -2.788 -11.529 -20.865 1.00 38.83 C ATOM 738 OG SER A 66 -3.089 -10.920 -19.618 1.00 38.28 O ATOM 0 H SER A 66 -2.171 -13.058 -18.841 1.00 37.37 H new ATOM 0 HA SER A 66 -1.417 -12.976 -21.693 1.00 38.86 H new ATOM 0 HB2 SER A 66 -2.606 -10.759 -21.614 1.00 38.83 H new ATOM 0 HB3 SER A 66 -3.645 -12.109 -21.206 1.00 38.83 H new ATOM 0 HG SER A 66 -3.513 -11.577 -19.027 1.00 38.28 H new ATOM 744 N GLY A 67 0.011 -11.392 -19.234 1.00 37.65 N ATOM 745 CA GLY A 67 1.160 -10.585 -18.882 1.00 35.24 C ATOM 746 C GLY A 67 0.762 -9.148 -18.631 1.00 32.90 C ATOM 747 O GLY A 67 1.594 -8.242 -18.667 1.00 38.76 O ATOM 0 H GLY A 67 -0.505 -11.771 -18.440 1.00 37.65 H new ATOM 0 HA2 GLY A 67 1.636 -10.994 -17.991 1.00 35.24 H new ATOM 0 HA3 GLY A 67 1.897 -10.626 -19.684 1.00 35.24 H new ATOM 751 N THR A 68 -0.521 -8.945 -18.379 1.00 35.01 N ATOM 752 CA THR A 68 -1.058 -7.620 -18.132 1.00 34.10 C ATOM 753 C THR A 68 -1.192 -7.339 -16.636 1.00 32.67 C ATOM 754 O THR A 68 -1.574 -8.217 -15.859 1.00 29.63 O ATOM 755 CB THR A 68 -2.439 -7.473 -18.798 1.00 41.04 C ATOM 756 OG1 THR A 68 -2.466 -8.222 -20.023 1.00 46.72 O ATOM 757 CG2 THR A 68 -2.756 -6.011 -19.084 1.00 41.80 C ATOM 0 H THR A 68 -1.215 -9.691 -18.340 1.00 35.01 H new ATOM 0 HA THR A 68 -0.360 -6.900 -18.560 1.00 34.10 H new ATOM 0 HB THR A 68 -3.193 -7.859 -18.113 1.00 41.04 H new ATOM 0 HG1 THR A 68 -2.717 -9.150 -19.833 1.00 46.72 H new ATOM 0 HG21 THR A 68 -3.737 -5.937 -19.554 1.00 41.80 H new ATOM 0 HG22 THR A 68 -2.758 -5.450 -18.150 1.00 41.80 H new ATOM 0 HG23 THR A 68 -2.001 -5.599 -19.753 1.00 41.80 H new ATOM 765 N VAL A 69 -0.859 -6.117 -16.240 1.00 33.44 N ATOM 766 CA VAL A 69 -0.965 -5.702 -14.849 1.00 31.48 C ATOM 767 C VAL A 69 -2.322 -5.042 -14.627 1.00 34.28 C ATOM 768 O VAL A 69 -2.541 -3.901 -15.033 1.00 37.70 O ATOM 769 CB VAL A 69 0.158 -4.716 -14.462 1.00 33.02 C ATOM 770 CG1 VAL A 69 0.166 -4.481 -12.960 1.00 31.05 C ATOM 771 CG2 VAL A 69 1.512 -5.229 -14.932 1.00 34.92 C ATOM 0 H VAL A 69 -0.511 -5.392 -16.868 1.00 33.44 H new ATOM 0 HA VAL A 69 -0.864 -6.586 -14.220 1.00 31.48 H new ATOM 0 HB VAL A 69 -0.036 -3.765 -14.958 1.00 33.02 H new ATOM 0 HG11 VAL A 69 0.964 -3.784 -12.705 1.00 31.05 H new ATOM 0 HG12 VAL A 69 -0.793 -4.064 -12.652 1.00 31.05 H new ATOM 0 HG13 VAL A 69 0.333 -5.427 -12.445 1.00 31.05 H new ATOM 0 HG21 VAL A 69 2.289 -4.519 -14.649 1.00 34.92 H new ATOM 0 HG22 VAL A 69 1.716 -6.194 -14.468 1.00 34.92 H new ATOM 0 HG23 VAL A 69 1.502 -5.342 -16.016 1.00 34.92 H new ATOM 781 N GLU A 70 -3.234 -5.769 -14.001 1.00 27.61 N ATOM 782 CA GLU A 70 -4.577 -5.259 -13.764 1.00 28.48 C ATOM 783 C GLU A 70 -4.625 -4.299 -12.583 1.00 35.57 C ATOM 784 O GLU A 70 -5.059 -3.155 -12.720 1.00 36.58 O ATOM 785 CB GLU A 70 -5.543 -6.415 -13.521 1.00 34.68 C ATOM 786 CG GLU A 70 -5.606 -7.411 -14.665 1.00 39.08 C ATOM 787 CD GLU A 70 -6.941 -8.119 -14.735 1.00 33.19 C ATOM 788 OE1 GLU A 70 -7.586 -8.294 -13.678 1.00 39.04 O ATOM 789 OE2 GLU A 70 -7.354 -8.507 -15.844 1.00 44.88 O ATOM 0 H GLU A 70 -3.070 -6.712 -13.648 1.00 27.61 H new ATOM 0 HA GLU A 70 -4.875 -4.708 -14.656 1.00 28.48 H new ATOM 0 HB2 GLU A 70 -5.247 -6.938 -12.612 1.00 34.68 H new ATOM 0 HB3 GLU A 70 -6.541 -6.012 -13.347 1.00 34.68 H new ATOM 0 HG2 GLU A 70 -5.422 -6.893 -15.606 1.00 39.08 H new ATOM 0 HG3 GLU A 70 -4.812 -8.148 -14.547 1.00 39.08 H new ATOM 796 N ASP A 71 -4.184 -4.763 -11.426 1.00 27.90 N ATOM 797 CA ASP A 71 -4.211 -3.942 -10.223 1.00 27.06 C ATOM 798 C ASP A 71 -2.856 -3.301 -9.964 1.00 26.23 C ATOM 799 O ASP A 71 -1.822 -3.957 -10.087 1.00 25.29 O ATOM 800 CB ASP A 71 -4.630 -4.783 -9.012 1.00 27.28 C ATOM 801 CG ASP A 71 -6.050 -5.308 -9.126 1.00 36.49 C ATOM 802 OD1 ASP A 71 -6.263 -6.312 -9.836 1.00 33.15 O ATOM 803 OD2 ASP A 71 -6.963 -4.714 -8.510 1.00 44.65 O ATOM 0 H ASP A 71 -3.804 -5.700 -11.292 1.00 27.90 H new ATOM 0 HA ASP A 71 -4.942 -3.148 -10.378 1.00 27.06 H new ATOM 0 HB2 ASP A 71 -3.944 -5.623 -8.903 1.00 27.28 H new ATOM 0 HB3 ASP A 71 -4.541 -4.180 -8.108 1.00 27.28 H new ATOM 808 N ASP A 72 -2.875 -2.019 -9.621 1.00 28.12 N ATOM 809 CA ASP A 72 -1.660 -1.261 -9.325 1.00 27.09 C ATOM 810 C ASP A 72 -1.990 -0.147 -8.343 1.00 28.96 C ATOM 811 O ASP A 72 -2.806 0.726 -8.640 1.00 30.68 O ATOM 812 CB ASP A 72 -1.061 -0.669 -10.605 1.00 32.18 C ATOM 813 CG ASP A 72 0.077 0.303 -10.332 1.00 37.86 C ATOM 814 OD1 ASP A 72 1.189 -0.152 -9.991 1.00 34.36 O ATOM 815 OD2 ASP A 72 -0.129 1.530 -10.474 1.00 46.72 O ATOM 0 H ASP A 72 -3.733 -1.473 -9.539 1.00 28.12 H new ATOM 0 HA ASP A 72 -0.924 -1.934 -8.885 1.00 27.09 H new ATOM 0 HB2 ASP A 72 -0.697 -1.478 -11.238 1.00 32.18 H new ATOM 0 HB3 ASP A 72 -1.844 -0.156 -11.163 1.00 32.18 H new ATOM 820 N LEU A 73 -1.379 -0.181 -7.170 1.00 27.72 N ATOM 821 CA LEU A 73 -1.640 0.831 -6.155 1.00 25.71 C ATOM 822 C LEU A 73 -0.351 1.390 -5.571 1.00 28.61 C ATOM 823 O LEU A 73 0.726 0.808 -5.728 1.00 28.34 O ATOM 824 CB LEU A 73 -2.501 0.246 -5.032 1.00 28.50 C ATOM 825 CG LEU A 73 -3.977 0.027 -5.385 1.00 38.00 C ATOM 826 CD1 LEU A 73 -4.692 -0.710 -4.263 1.00 46.75 C ATOM 827 CD2 LEU A 73 -4.664 1.354 -5.669 1.00 41.56 C ATOM 0 H LEU A 73 -0.702 -0.893 -6.896 1.00 27.72 H new ATOM 0 HA LEU A 73 -2.175 1.648 -6.639 1.00 25.71 H new ATOM 0 HB2 LEU A 73 -2.072 -0.708 -4.727 1.00 28.50 H new ATOM 0 HB3 LEU A 73 -2.445 0.911 -4.170 1.00 28.50 H new ATOM 0 HG LEU A 73 -4.024 -0.585 -6.286 1.00 38.00 H new ATOM 0 HD11 LEU A 73 -5.738 -0.856 -4.532 1.00 46.75 H new ATOM 0 HD12 LEU A 73 -4.219 -1.679 -4.105 1.00 46.75 H new ATOM 0 HD13 LEU A 73 -4.632 -0.124 -3.346 1.00 46.75 H new ATOM 0 HD21 LEU A 73 -5.710 1.176 -5.917 1.00 41.56 H new ATOM 0 HD22 LEU A 73 -4.604 1.991 -4.787 1.00 41.56 H new ATOM 0 HD23 LEU A 73 -4.171 1.847 -6.507 1.00 41.56 H new ATOM 839 N ILE A 74 -0.478 2.523 -4.893 1.00 26.56 N ATOM 840 CA ILE A 74 0.651 3.183 -4.259 1.00 26.14 C ATOM 841 C ILE A 74 0.600 2.899 -2.764 1.00 27.51 C ATOM 842 O ILE A 74 -0.162 3.521 -2.027 1.00 28.90 O ATOM 843 CB ILE A 74 0.641 4.709 -4.501 1.00 28.52 C ATOM 844 CG1 ILE A 74 0.380 5.022 -5.978 1.00 30.04 C ATOM 845 CG2 ILE A 74 1.959 5.326 -4.058 1.00 31.95 C ATOM 846 CD1 ILE A 74 -1.045 5.440 -6.271 1.00 35.26 C ATOM 0 H ILE A 74 -1.366 3.008 -4.768 1.00 26.56 H new ATOM 0 HA ILE A 74 1.570 2.793 -4.697 1.00 26.14 H new ATOM 0 HB ILE A 74 -0.165 5.142 -3.909 1.00 28.52 H new ATOM 0 HG12 ILE A 74 1.055 5.817 -6.296 1.00 30.04 H new ATOM 0 HG13 ILE A 74 0.621 4.142 -6.574 1.00 30.04 H new ATOM 0 HG21 ILE A 74 1.935 6.401 -4.235 1.00 31.95 H new ATOM 0 HG22 ILE A 74 2.110 5.137 -2.995 1.00 31.95 H new ATOM 0 HG23 ILE A 74 2.777 4.883 -4.626 1.00 31.95 H new ATOM 0 HD11 ILE A 74 -1.152 5.645 -7.336 1.00 35.26 H new ATOM 0 HD12 ILE A 74 -1.726 4.638 -5.985 1.00 35.26 H new ATOM 0 HD13 ILE A 74 -1.285 6.339 -5.703 1.00 35.26 H new ATOM 858 N ILE A 75 1.408 1.951 -2.331 1.00 25.23 N ATOM 859 CA ILE A 75 1.429 1.537 -0.940 1.00 23.84 C ATOM 860 C ILE A 75 2.374 2.385 -0.098 1.00 27.62 C ATOM 861 O ILE A 75 3.490 2.703 -0.512 1.00 28.33 O ATOM 862 CB ILE A 75 1.835 0.053 -0.815 1.00 26.16 C ATOM 863 CG1 ILE A 75 0.971 -0.829 -1.726 1.00 34.34 C ATOM 864 CG2 ILE A 75 1.733 -0.413 0.630 1.00 27.19 C ATOM 865 CD1 ILE A 75 -0.518 -0.723 -1.470 1.00 41.17 C ATOM 0 H ILE A 75 2.065 1.448 -2.928 1.00 25.23 H new ATOM 0 HA ILE A 75 0.416 1.676 -0.562 1.00 23.84 H new ATOM 0 HB ILE A 75 2.873 -0.040 -1.134 1.00 26.16 H new ATOM 0 HG12 ILE A 75 1.169 -0.562 -2.764 1.00 34.34 H new ATOM 0 HG13 ILE A 75 1.276 -1.868 -1.601 1.00 34.34 H new ATOM 0 HG21 ILE A 75 2.024 -1.462 0.696 1.00 27.19 H new ATOM 0 HG22 ILE A 75 2.396 0.187 1.253 1.00 27.19 H new ATOM 0 HG23 ILE A 75 0.706 -0.299 0.978 1.00 27.19 H new ATOM 0 HD11 ILE A 75 -1.053 -1.379 -2.157 1.00 41.17 H new ATOM 0 HD12 ILE A 75 -0.733 -1.020 -0.444 1.00 41.17 H new ATOM 0 HD13 ILE A 75 -0.841 0.306 -1.625 1.00 41.17 H new ATOM 877 N PHE A 76 1.902 2.751 1.082 1.00 27.22 N ATOM 878 CA PHE A 76 2.681 3.532 2.022 1.00 29.75 C ATOM 879 C PHE A 76 2.528 2.948 3.423 1.00 28.37 C ATOM 880 O PHE A 76 1.509 2.319 3.727 1.00 30.39 O ATOM 881 CB PHE A 76 2.242 4.994 2.004 1.00 28.99 C ATOM 882 CG PHE A 76 3.071 5.851 1.092 1.00 26.06 C ATOM 883 CD1 PHE A 76 2.746 5.983 -0.247 1.00 29.04 C ATOM 884 CD2 PHE A 76 4.176 6.529 1.579 1.00 26.47 C ATOM 885 CE1 PHE A 76 3.506 6.778 -1.082 1.00 30.38 C ATOM 886 CE2 PHE A 76 4.937 7.324 0.749 1.00 27.65 C ATOM 887 CZ PHE A 76 4.603 7.450 -0.582 1.00 29.98 C ATOM 0 H PHE A 76 0.967 2.514 1.413 1.00 27.22 H new ATOM 0 HA PHE A 76 3.730 3.491 1.729 1.00 29.75 H new ATOM 0 HB2 PHE A 76 1.198 5.049 1.694 1.00 28.99 H new ATOM 0 HB3 PHE A 76 2.296 5.395 3.016 1.00 28.99 H new ATOM 0 HD1 PHE A 76 1.889 5.459 -0.643 1.00 29.04 H new ATOM 0 HD2 PHE A 76 4.444 6.434 2.621 1.00 26.47 H new ATOM 0 HE1 PHE A 76 3.242 6.874 -2.125 1.00 30.38 H new ATOM 0 HE2 PHE A 76 5.795 7.848 1.142 1.00 27.65 H new ATOM 0 HZ PHE A 76 5.198 8.073 -1.233 1.00 29.98 H new ATOM 897 N PRO A 77 3.546 3.128 4.286 1.00 29.47 N ATOM 898 CA PRO A 77 3.525 2.619 5.660 1.00 29.23 C ATOM 899 C PRO A 77 2.270 3.020 6.432 1.00 36.32 C ATOM 900 O PRO A 77 1.775 4.141 6.296 1.00 38.20 O ATOM 901 CB PRO A 77 4.762 3.257 6.296 1.00 29.39 C ATOM 902 CG PRO A 77 5.684 3.516 5.157 1.00 32.72 C ATOM 903 CD PRO A 77 4.808 3.827 3.976 1.00 31.35 C ATOM 0 HA PRO A 77 3.524 1.529 5.677 1.00 29.23 H new ATOM 0 HB2 PRO A 77 4.508 4.180 6.817 1.00 29.39 H new ATOM 0 HB3 PRO A 77 5.217 2.592 7.030 1.00 29.39 H new ATOM 0 HG2 PRO A 77 6.352 4.349 5.377 1.00 32.72 H new ATOM 0 HG3 PRO A 77 6.312 2.648 4.959 1.00 32.72 H new ATOM 0 HD2 PRO A 77 4.654 4.900 3.862 1.00 31.35 H new ATOM 0 HD3 PRO A 77 5.247 3.468 3.045 1.00 31.35 H new ATOM 911 N ASP A 78 1.765 2.071 7.222 1.00 37.07 N ATOM 912 CA ASP A 78 0.572 2.250 8.061 1.00 38.13 C ATOM 913 C ASP A 78 -0.726 2.302 7.254 1.00 38.12 C ATOM 914 O ASP A 78 -1.742 1.771 7.691 1.00 41.39 O ATOM 915 CB ASP A 78 0.682 3.496 8.943 1.00 44.12 C ATOM 916 CG ASP A 78 -0.418 3.563 9.984 1.00 58.24 C ATOM 917 OD1 ASP A 78 -0.594 2.579 10.736 1.00 63.10 O ATOM 918 OD2 ASP A 78 -1.106 4.602 10.067 1.00 68.01 O ATOM 0 H ASP A 78 2.177 1.141 7.300 1.00 37.07 H new ATOM 0 HA ASP A 78 0.529 1.366 8.697 1.00 38.13 H new ATOM 0 HB2 ASP A 78 1.651 3.501 9.441 1.00 44.12 H new ATOM 0 HB3 ASP A 78 0.641 4.387 8.316 1.00 44.12 H new ATOM 923 N ASP A 79 -0.701 2.941 6.089 1.00 32.78 N ATOM 924 CA ASP A 79 -1.901 3.047 5.259 1.00 31.87 C ATOM 925 C ASP A 79 -2.396 1.673 4.839 1.00 31.67 C ATOM 926 O ASP A 79 -3.577 1.356 4.973 1.00 31.28 O ATOM 927 CB ASP A 79 -1.647 3.904 4.015 1.00 30.43 C ATOM 928 CG ASP A 79 -2.929 4.189 3.248 1.00 37.99 C ATOM 929 OD1 ASP A 79 -3.697 5.077 3.683 1.00 32.65 O ATOM 930 OD2 ASP A 79 -3.174 3.526 2.220 1.00 39.45 O ATOM 0 H ASP A 79 0.127 3.390 5.699 1.00 32.78 H new ATOM 0 HA ASP A 79 -2.668 3.531 5.864 1.00 31.87 H new ATOM 0 HB2 ASP A 79 -1.185 4.846 4.312 1.00 30.43 H new ATOM 0 HB3 ASP A 79 -0.939 3.394 3.362 1.00 30.43 H new ATOM 935 N CYS A 80 -1.485 0.856 4.354 1.00 31.58 N ATOM 936 CA CYS A 80 -1.828 -0.482 3.910 1.00 30.94 C ATOM 937 C CYS A 80 -1.326 -1.531 4.902 1.00 28.98 C ATOM 938 O CYS A 80 -0.124 -1.641 5.154 1.00 31.11 O ATOM 939 CB CYS A 80 -1.242 -0.708 2.523 1.00 31.93 C ATOM 940 SG CYS A 80 -1.302 0.770 1.478 1.00 37.05 S ATOM 0 H CYS A 80 -0.498 1.094 4.256 1.00 31.58 H new ATOM 0 HA CYS A 80 -2.912 -0.582 3.860 1.00 30.94 H new ATOM 0 HB2 CYS A 80 -0.207 -1.035 2.621 1.00 31.93 H new ATOM 0 HB3 CYS A 80 -1.786 -1.515 2.032 1.00 31.93 H new ATOM 0 HG CYS A 80 -2.500 0.911 0.994 1.00 37.05 H new ATOM 946 N GLU A 81 -2.261 -2.285 5.465 1.00 25.38 N ATOM 947 CA GLU A 81 -1.955 -3.321 6.444 1.00 28.86 C ATOM 948 C GLU A 81 -2.240 -4.713 5.874 1.00 26.91 C ATOM 949 O GLU A 81 -3.393 -5.101 5.694 1.00 29.90 O ATOM 950 CB GLU A 81 -2.799 -3.075 7.702 1.00 32.62 C ATOM 951 CG GLU A 81 -2.716 -4.174 8.747 1.00 41.20 C ATOM 952 CD GLU A 81 -3.854 -4.102 9.750 1.00 46.74 C ATOM 953 OE1 GLU A 81 -4.324 -2.983 10.057 1.00 59.83 O ATOM 954 OE2 GLU A 81 -4.294 -5.164 10.234 1.00 54.12 O ATOM 0 H GLU A 81 -3.255 -2.196 5.256 1.00 25.38 H new ATOM 0 HA GLU A 81 -0.895 -3.278 6.695 1.00 28.86 H new ATOM 0 HB2 GLU A 81 -2.484 -2.136 8.156 1.00 32.62 H new ATOM 0 HB3 GLU A 81 -3.841 -2.952 7.406 1.00 32.62 H new ATOM 0 HG2 GLU A 81 -2.732 -5.145 8.252 1.00 41.20 H new ATOM 0 HG3 GLU A 81 -1.765 -4.100 9.274 1.00 41.20 H new ATOM 961 N PHE A 82 -1.188 -5.459 5.581 1.00 27.17 N ATOM 962 CA PHE A 82 -1.336 -6.804 5.036 1.00 24.89 C ATOM 963 C PHE A 82 -1.507 -7.818 6.164 1.00 26.35 C ATOM 964 O PHE A 82 -0.771 -7.782 7.153 1.00 28.01 O ATOM 965 CB PHE A 82 -0.121 -7.163 4.176 1.00 24.82 C ATOM 966 CG PHE A 82 -0.349 -8.331 3.256 1.00 26.08 C ATOM 967 CD1 PHE A 82 -1.205 -8.218 2.171 1.00 26.96 C ATOM 968 CD2 PHE A 82 0.295 -9.539 3.470 1.00 25.08 C ATOM 969 CE1 PHE A 82 -1.416 -9.286 1.321 1.00 25.16 C ATOM 970 CE2 PHE A 82 0.085 -10.612 2.622 1.00 24.61 C ATOM 971 CZ PHE A 82 -0.770 -10.484 1.546 1.00 23.81 C ATOM 0 H PHE A 82 -0.222 -5.159 5.710 1.00 27.17 H new ATOM 0 HA PHE A 82 -2.227 -6.830 4.409 1.00 24.89 H new ATOM 0 HB2 PHE A 82 0.160 -6.294 3.581 1.00 24.82 H new ATOM 0 HB3 PHE A 82 0.721 -7.388 4.830 1.00 24.82 H new ATOM 0 HD1 PHE A 82 -1.713 -7.283 1.988 1.00 26.96 H new ATOM 0 HD2 PHE A 82 0.968 -9.644 4.308 1.00 25.08 H new ATOM 0 HE1 PHE A 82 -2.086 -9.183 0.481 1.00 25.16 H new ATOM 0 HE2 PHE A 82 0.590 -11.550 2.802 1.00 24.61 H new ATOM 0 HZ PHE A 82 -0.933 -11.320 0.882 1.00 23.81 H new ATOM 981 N LYS A 83 -2.476 -8.715 6.012 1.00 25.24 N ATOM 982 CA LYS A 83 -2.749 -9.734 7.018 1.00 27.67 C ATOM 983 C LYS A 83 -3.378 -10.968 6.371 1.00 24.72 C ATOM 984 O LYS A 83 -3.415 -11.083 5.147 1.00 26.15 O ATOM 985 CB LYS A 83 -3.691 -9.168 8.086 1.00 34.55 C ATOM 986 CG LYS A 83 -3.382 -9.646 9.497 1.00 49.96 C ATOM 987 CD LYS A 83 -2.042 -9.123 9.997 1.00 44.98 C ATOM 988 CE LYS A 83 -2.053 -7.616 10.177 1.00 55.29 C ATOM 989 NZ LYS A 83 -2.969 -7.192 11.264 1.00 57.71 N ATOM 0 H LYS A 83 -3.088 -8.756 5.197 1.00 25.24 H new ATOM 0 HA LYS A 83 -1.809 -10.027 7.485 1.00 27.67 H new ATOM 0 HB2 LYS A 83 -3.639 -8.080 8.062 1.00 34.55 H new ATOM 0 HB3 LYS A 83 -4.715 -9.444 7.836 1.00 34.55 H new ATOM 0 HG2 LYS A 83 -4.173 -9.319 10.172 1.00 49.96 H new ATOM 0 HG3 LYS A 83 -3.376 -10.736 9.517 1.00 49.96 H new ATOM 0 HD2 LYS A 83 -1.798 -9.600 10.946 1.00 44.98 H new ATOM 0 HD3 LYS A 83 -1.259 -9.398 9.291 1.00 44.98 H new ATOM 0 HE2 LYS A 83 -1.043 -7.270 10.398 1.00 55.29 H new ATOM 0 HE3 LYS A 83 -2.355 -7.142 9.243 1.00 55.29 H new ATOM 0 HZ1 LYS A 83 -3.710 -6.576 10.873 1.00 57.71 H new ATOM 0 HZ2 LYS A 83 -3.408 -8.031 11.695 1.00 57.71 H new ATOM 0 HZ3 LYS A 83 -2.432 -6.672 11.987 1.00 57.71 H new ATOM 1003 N ARG A 84 -3.862 -11.889 7.195 1.00 26.20 N ATOM 1004 CA ARG A 84 -4.498 -13.105 6.710 1.00 24.84 C ATOM 1005 C ARG A 84 -5.883 -13.248 7.328 1.00 26.43 C ATOM 1006 O ARG A 84 -6.134 -12.725 8.417 1.00 28.19 O ATOM 1007 CB ARG A 84 -3.642 -14.331 7.052 1.00 27.68 C ATOM 1008 CG ARG A 84 -4.143 -15.625 6.425 1.00 30.59 C ATOM 1009 CD ARG A 84 -3.285 -16.814 6.827 1.00 38.05 C ATOM 1010 NE ARG A 84 -3.478 -17.185 8.225 1.00 45.74 N ATOM 1011 CZ ARG A 84 -3.800 -18.411 8.635 1.00 54.89 C ATOM 1012 NH1 ARG A 84 -3.955 -19.397 7.756 1.00 55.75 N ATOM 1013 NH2 ARG A 84 -3.963 -18.649 9.930 1.00 51.71 N ATOM 0 H ARG A 84 -3.825 -11.814 8.212 1.00 26.20 H new ATOM 0 HA ARG A 84 -4.595 -13.040 5.626 1.00 24.84 H new ATOM 0 HB2 ARG A 84 -2.619 -14.151 6.723 1.00 27.68 H new ATOM 0 HB3 ARG A 84 -3.612 -14.451 8.135 1.00 27.68 H new ATOM 0 HG2 ARG A 84 -5.175 -15.801 6.729 1.00 30.59 H new ATOM 0 HG3 ARG A 84 -4.143 -15.527 5.339 1.00 30.59 H new ATOM 0 HD2 ARG A 84 -3.526 -17.665 6.190 1.00 38.05 H new ATOM 0 HD3 ARG A 84 -2.235 -16.576 6.658 1.00 38.05 H new ATOM 0 HE ARG A 84 -3.359 -16.460 8.933 1.00 45.74 H new ATOM 0 HH11 ARG A 84 -3.827 -19.217 6.760 1.00 55.75 H new ATOM 0 HH12 ARG A 84 -4.202 -20.333 8.078 1.00 55.75 H new ATOM 0 HH21 ARG A 84 -3.842 -17.895 10.606 1.00 51.71 H new ATOM 0 HH22 ARG A 84 -4.210 -19.586 10.249 1.00 51.71 H new ATOM 1027 N VAL A 85 -6.786 -13.931 6.634 1.00 26.80 N ATOM 1028 CA VAL A 85 -8.137 -14.138 7.140 1.00 28.35 C ATOM 1029 C VAL A 85 -8.250 -15.511 7.794 1.00 26.05 C ATOM 1030 O VAL A 85 -8.256 -16.532 7.108 1.00 30.08 O ATOM 1031 CB VAL A 85 -9.197 -14.023 6.023 1.00 28.02 C ATOM 1032 CG1 VAL A 85 -10.591 -13.896 6.620 1.00 31.09 C ATOM 1033 CG2 VAL A 85 -8.899 -12.843 5.113 1.00 26.97 C ATOM 0 H VAL A 85 -6.607 -14.350 5.721 1.00 26.80 H new ATOM 0 HA VAL A 85 -8.327 -13.355 7.874 1.00 28.35 H new ATOM 0 HB VAL A 85 -9.158 -14.933 5.424 1.00 28.02 H new ATOM 0 HG11 VAL A 85 -11.325 -13.816 5.818 1.00 31.09 H new ATOM 0 HG12 VAL A 85 -10.809 -14.776 7.225 1.00 31.09 H new ATOM 0 HG13 VAL A 85 -10.639 -13.005 7.246 1.00 31.09 H new ATOM 0 HG21 VAL A 85 -9.659 -12.783 4.334 1.00 26.97 H new ATOM 0 HG22 VAL A 85 -8.904 -11.923 5.697 1.00 26.97 H new ATOM 0 HG23 VAL A 85 -7.919 -12.976 4.654 1.00 26.97 H new ATOM 1043 N PRO A 86 -8.334 -15.559 9.134 1.00 32.41 N ATOM 1044 CA PRO A 86 -8.439 -16.821 9.875 1.00 33.92 C ATOM 1045 C PRO A 86 -9.809 -17.479 9.729 1.00 37.33 C ATOM 1046 O PRO A 86 -9.985 -18.652 10.065 1.00 42.97 O ATOM 1047 CB PRO A 86 -8.193 -16.400 11.326 1.00 38.12 C ATOM 1048 CG PRO A 86 -8.634 -14.978 11.385 1.00 38.96 C ATOM 1049 CD PRO A 86 -8.322 -14.389 10.036 1.00 35.71 C ATOM 0 HA PRO A 86 -7.735 -17.567 9.507 1.00 33.92 H new ATOM 0 HB2 PRO A 86 -8.760 -17.020 12.020 1.00 38.12 H new ATOM 0 HB3 PRO A 86 -7.142 -16.500 11.595 1.00 38.12 H new ATOM 0 HG2 PRO A 86 -9.700 -14.909 11.604 1.00 38.96 H new ATOM 0 HG3 PRO A 86 -8.111 -14.440 12.176 1.00 38.96 H new ATOM 0 HD2 PRO A 86 -9.065 -13.648 9.741 1.00 35.71 H new ATOM 0 HD3 PRO A 86 -7.353 -13.889 10.031 1.00 35.71 H new ATOM 1057 N GLN A 87 -10.771 -16.722 9.212 1.00 34.50 N ATOM 1058 CA GLN A 87 -12.126 -17.228 9.022 1.00 34.12 C ATOM 1059 C GLN A 87 -12.255 -17.989 7.708 1.00 32.97 C ATOM 1060 O GLN A 87 -13.338 -18.460 7.355 1.00 29.14 O ATOM 1061 CB GLN A 87 -13.133 -16.080 9.066 1.00 35.26 C ATOM 1062 CG GLN A 87 -13.517 -15.673 10.478 1.00 42.92 C ATOM 1063 CD GLN A 87 -14.147 -16.811 11.260 1.00 54.68 C ATOM 1064 OE1 GLN A 87 -14.831 -17.666 10.695 1.00 53.82 O ATOM 1065 NE2 GLN A 87 -13.908 -16.836 12.559 1.00 56.31 N ATOM 0 H GLN A 87 -10.637 -15.755 8.917 1.00 34.50 H new ATOM 0 HA GLN A 87 -12.340 -17.921 9.836 1.00 34.12 H new ATOM 0 HB2 GLN A 87 -12.714 -15.218 8.548 1.00 35.26 H new ATOM 0 HB3 GLN A 87 -14.031 -16.373 8.522 1.00 35.26 H new ATOM 0 HG2 GLN A 87 -12.630 -15.321 11.005 1.00 42.92 H new ATOM 0 HG3 GLN A 87 -14.214 -14.836 10.435 1.00 42.92 H new ATOM 0 HE21 GLN A 87 -13.336 -16.108 12.986 1.00 56.31 H new ATOM 0 HE22 GLN A 87 -14.296 -17.584 13.135 1.00 56.31 H new ATOM 1074 N CYS A 88 -11.157 -18.095 6.976 1.00 30.59 N ATOM 1075 CA CYS A 88 -11.157 -18.810 5.714 1.00 30.96 C ATOM 1076 C CYS A 88 -10.667 -20.238 5.924 1.00 32.25 C ATOM 1077 O CYS A 88 -9.517 -20.454 6.307 1.00 33.41 O ATOM 1078 CB CYS A 88 -10.286 -18.085 4.690 1.00 32.19 C ATOM 1079 SG CYS A 88 -10.937 -16.471 4.202 1.00 39.96 S ATOM 0 H CYS A 88 -10.256 -17.694 7.236 1.00 30.59 H new ATOM 0 HA CYS A 88 -12.176 -18.845 5.328 1.00 30.96 H new ATOM 0 HB2 CYS A 88 -9.286 -17.954 5.103 1.00 32.19 H new ATOM 0 HB3 CYS A 88 -10.185 -18.710 3.803 1.00 32.19 H new ATOM 0 HG CYS A 88 -11.158 -16.462 2.921 1.00 39.96 H new ATOM 1085 N PRO A 89 -11.551 -21.225 5.693 1.00 33.30 N ATOM 1086 CA PRO A 89 -11.236 -22.654 5.856 1.00 32.59 C ATOM 1087 C PRO A 89 -9.970 -23.081 5.118 1.00 34.13 C ATOM 1088 O PRO A 89 -9.233 -23.947 5.592 1.00 38.31 O ATOM 1089 CB PRO A 89 -12.455 -23.354 5.257 1.00 37.71 C ATOM 1090 CG PRO A 89 -13.564 -22.380 5.428 1.00 38.21 C ATOM 1091 CD PRO A 89 -12.947 -21.021 5.266 1.00 32.90 C ATOM 0 HA PRO A 89 -11.043 -22.900 6.900 1.00 32.59 H new ATOM 0 HB2 PRO A 89 -12.297 -23.596 4.206 1.00 37.71 H new ATOM 0 HB3 PRO A 89 -12.667 -24.291 5.771 1.00 37.71 H new ATOM 0 HG2 PRO A 89 -14.346 -22.545 4.687 1.00 38.21 H new ATOM 0 HG3 PRO A 89 -14.027 -22.484 6.409 1.00 38.21 H new ATOM 0 HD2 PRO A 89 -13.005 -20.674 4.234 1.00 32.90 H new ATOM 0 HD3 PRO A 89 -13.450 -20.275 5.882 1.00 32.90 H new ATOM 1099 N SER A 90 -9.725 -22.490 3.953 1.00 34.04 N ATOM 1100 CA SER A 90 -8.540 -22.812 3.174 1.00 33.45 C ATOM 1101 C SER A 90 -7.284 -22.382 3.925 1.00 29.83 C ATOM 1102 O SER A 90 -6.295 -23.109 3.974 1.00 32.46 O ATOM 1103 CB SER A 90 -8.601 -22.122 1.812 1.00 33.88 C ATOM 1104 OG SER A 90 -8.898 -20.743 1.962 1.00 33.97 O ATOM 0 H SER A 90 -10.331 -21.787 3.530 1.00 34.04 H new ATOM 0 HA SER A 90 -8.505 -23.890 3.020 1.00 33.45 H new ATOM 0 HB2 SER A 90 -7.648 -22.240 1.296 1.00 33.88 H new ATOM 0 HB3 SER A 90 -9.361 -22.597 1.191 1.00 33.88 H new ATOM 0 HG SER A 90 -9.387 -20.426 1.174 1.00 33.97 H new ATOM 1110 N GLY A 91 -7.341 -21.189 4.508 1.00 27.54 N ATOM 1111 CA GLY A 91 -6.217 -20.661 5.258 1.00 29.96 C ATOM 1112 C GLY A 91 -5.193 -19.983 4.372 1.00 31.42 C ATOM 1113 O GLY A 91 -4.340 -19.236 4.853 1.00 34.09 O ATOM 0 H GLY A 91 -8.154 -20.574 4.473 1.00 27.54 H new ATOM 0 HA2 GLY A 91 -6.581 -19.948 5.998 1.00 29.96 H new ATOM 0 HA3 GLY A 91 -5.738 -21.472 5.806 1.00 29.96 H new ATOM 1117 N ARG A 92 -5.298 -20.222 3.071 1.00 27.65 N ATOM 1118 CA ARG A 92 -4.371 -19.653 2.100 1.00 24.26 C ATOM 1119 C ARG A 92 -4.858 -18.293 1.615 1.00 23.50 C ATOM 1120 O ARG A 92 -4.288 -17.713 0.690 1.00 23.58 O ATOM 1121 CB ARG A 92 -4.221 -20.589 0.895 1.00 28.75 C ATOM 1122 CG ARG A 92 -4.203 -22.070 1.244 1.00 30.87 C ATOM 1123 CD ARG A 92 -2.962 -22.455 2.033 1.00 25.34 C ATOM 1124 NE ARG A 92 -1.732 -21.991 1.397 1.00 25.37 N ATOM 1125 CZ ARG A 92 -1.184 -22.542 0.315 1.00 27.61 C ATOM 1126 NH1 ARG A 92 -1.763 -23.573 -0.284 1.00 30.43 N ATOM 1127 NH2 ARG A 92 -0.050 -22.061 -0.164 1.00 28.83 N ATOM 0 H ARG A 92 -6.022 -20.811 2.661 1.00 27.65 H new ATOM 0 HA ARG A 92 -3.406 -19.531 2.593 1.00 24.26 H new ATOM 0 HB2 ARG A 92 -5.041 -20.402 0.202 1.00 28.75 H new ATOM 0 HB3 ARG A 92 -3.298 -20.341 0.371 1.00 28.75 H new ATOM 0 HG2 ARG A 92 -5.092 -22.316 1.824 1.00 30.87 H new ATOM 0 HG3 ARG A 92 -4.247 -22.659 0.328 1.00 30.87 H new ATOM 0 HD2 ARG A 92 -3.029 -22.036 3.037 1.00 25.34 H new ATOM 0 HD3 ARG A 92 -2.925 -23.539 2.141 1.00 25.34 H new ATOM 0 HE ARG A 92 -1.259 -21.188 1.811 1.00 25.37 H new ATOM 0 HH11 ARG A 92 -2.636 -23.952 0.083 1.00 30.43 H new ATOM 0 HH12 ARG A 92 -1.335 -23.988 -1.112 1.00 30.43 H new ATOM 0 HH21 ARG A 92 0.403 -21.270 0.295 1.00 28.83 H new ATOM 0 HH22 ARG A 92 0.372 -22.480 -0.992 1.00 28.83 H new ATOM 1141 N VAL A 93 -5.918 -17.796 2.235 1.00 22.88 N ATOM 1142 CA VAL A 93 -6.488 -16.513 1.855 1.00 22.13 C ATOM 1143 C VAL A 93 -5.923 -15.381 2.706 1.00 21.42 C ATOM 1144 O VAL A 93 -6.171 -15.304 3.914 1.00 22.34 O ATOM 1145 CB VAL A 93 -8.026 -16.519 1.973 1.00 22.65 C ATOM 1146 CG1 VAL A 93 -8.604 -15.159 1.593 1.00 22.64 C ATOM 1147 CG2 VAL A 93 -8.619 -17.612 1.098 1.00 26.59 C ATOM 0 H VAL A 93 -6.400 -18.262 3.003 1.00 22.88 H new ATOM 0 HA VAL A 93 -6.215 -16.346 0.813 1.00 22.13 H new ATOM 0 HB VAL A 93 -8.289 -16.722 3.011 1.00 22.65 H new ATOM 0 HG11 VAL A 93 -9.690 -15.187 1.684 1.00 22.64 H new ATOM 0 HG12 VAL A 93 -8.204 -14.395 2.259 1.00 22.64 H new ATOM 0 HG13 VAL A 93 -8.332 -14.923 0.564 1.00 22.64 H new ATOM 0 HG21 VAL A 93 -9.705 -17.604 1.192 1.00 26.59 H new ATOM 0 HG22 VAL A 93 -8.343 -17.436 0.058 1.00 26.59 H new ATOM 0 HG23 VAL A 93 -8.235 -18.581 1.416 1.00 26.59 H new ATOM 1157 N TYR A 94 -5.155 -14.518 2.068 1.00 22.73 N ATOM 1158 CA TYR A 94 -4.568 -13.372 2.735 1.00 22.99 C ATOM 1159 C TYR A 94 -5.335 -12.123 2.327 1.00 26.07 C ATOM 1160 O TYR A 94 -6.078 -12.148 1.344 1.00 23.44 O ATOM 1161 CB TYR A 94 -3.078 -13.255 2.396 1.00 21.02 C ATOM 1162 CG TYR A 94 -2.224 -14.225 3.186 1.00 22.31 C ATOM 1163 CD1 TYR A 94 -2.228 -15.585 2.893 1.00 25.65 C ATOM 1164 CD2 TYR A 94 -1.426 -13.785 4.235 1.00 23.62 C ATOM 1165 CE1 TYR A 94 -1.460 -16.474 3.620 1.00 22.18 C ATOM 1166 CE2 TYR A 94 -0.659 -14.670 4.968 1.00 23.29 C ATOM 1167 CZ TYR A 94 -0.679 -16.012 4.658 1.00 22.64 C ATOM 1168 OH TYR A 94 0.079 -16.896 5.393 1.00 28.22 O ATOM 0 H TYR A 94 -4.922 -14.591 1.078 1.00 22.73 H new ATOM 0 HA TYR A 94 -4.640 -13.494 3.816 1.00 22.99 H new ATOM 0 HB2 TYR A 94 -2.936 -13.436 1.331 1.00 21.02 H new ATOM 0 HB3 TYR A 94 -2.743 -12.237 2.594 1.00 21.02 H new ATOM 0 HD1 TYR A 94 -2.842 -15.952 2.084 1.00 25.65 H new ATOM 0 HD2 TYR A 94 -1.405 -12.734 4.481 1.00 23.62 H new ATOM 0 HE1 TYR A 94 -1.471 -17.526 3.376 1.00 22.18 H new ATOM 0 HE2 TYR A 94 -0.046 -14.311 5.781 1.00 23.29 H new ATOM 0 HH TYR A 94 0.172 -16.563 6.310 1.00 28.22 H new ATOM 1178 N VAL A 95 -5.174 -11.039 3.064 1.00 24.99 N ATOM 1179 CA VAL A 95 -5.907 -9.824 2.755 1.00 23.89 C ATOM 1180 C VAL A 95 -5.091 -8.563 3.028 1.00 23.26 C ATOM 1181 O VAL A 95 -4.360 -8.474 4.016 1.00 23.44 O ATOM 1182 CB VAL A 95 -7.232 -9.763 3.559 1.00 25.51 C ATOM 1183 CG1 VAL A 95 -6.964 -9.789 5.058 1.00 27.46 C ATOM 1184 CG2 VAL A 95 -8.051 -8.536 3.184 1.00 25.26 C ATOM 0 H VAL A 95 -4.552 -10.974 3.870 1.00 24.99 H new ATOM 0 HA VAL A 95 -6.124 -9.858 1.687 1.00 23.89 H new ATOM 0 HB VAL A 95 -7.813 -10.648 3.300 1.00 25.51 H new ATOM 0 HG11 VAL A 95 -7.910 -9.745 5.598 1.00 27.46 H new ATOM 0 HG12 VAL A 95 -6.440 -10.709 5.318 1.00 27.46 H new ATOM 0 HG13 VAL A 95 -6.350 -8.932 5.333 1.00 27.46 H new ATOM 0 HG21 VAL A 95 -8.973 -8.523 3.765 1.00 25.26 H new ATOM 0 HG22 VAL A 95 -7.475 -7.635 3.397 1.00 25.26 H new ATOM 0 HG23 VAL A 95 -8.292 -8.570 2.122 1.00 25.26 H new ATOM 1194 N LEU A 96 -5.202 -7.610 2.119 1.00 23.86 N ATOM 1195 CA LEU A 96 -4.544 -6.327 2.257 1.00 23.96 C ATOM 1196 C LEU A 96 -5.578 -5.329 2.761 1.00 23.08 C ATOM 1197 O LEU A 96 -6.380 -4.797 1.989 1.00 24.63 O ATOM 1198 CB LEU A 96 -3.951 -5.882 0.914 1.00 22.80 C ATOM 1199 CG LEU A 96 -3.222 -4.533 0.921 1.00 24.99 C ATOM 1200 CD1 LEU A 96 -2.131 -4.513 1.979 1.00 27.30 C ATOM 1201 CD2 LEU A 96 -2.630 -4.251 -0.449 1.00 30.96 C ATOM 0 H LEU A 96 -5.751 -7.706 1.265 1.00 23.86 H new ATOM 0 HA LEU A 96 -3.718 -6.393 2.965 1.00 23.96 H new ATOM 0 HB2 LEU A 96 -3.254 -6.648 0.574 1.00 22.80 H new ATOM 0 HB3 LEU A 96 -4.756 -5.835 0.181 1.00 22.80 H new ATOM 0 HG LEU A 96 -3.945 -3.754 1.162 1.00 24.99 H new ATOM 0 HD11 LEU A 96 -1.628 -3.546 1.965 1.00 27.30 H new ATOM 0 HD12 LEU A 96 -2.574 -4.677 2.961 1.00 27.30 H new ATOM 0 HD13 LEU A 96 -1.408 -5.301 1.771 1.00 27.30 H new ATOM 0 HD21 LEU A 96 -2.115 -3.291 -0.432 1.00 30.96 H new ATOM 0 HD22 LEU A 96 -1.922 -5.038 -0.708 1.00 30.96 H new ATOM 0 HD23 LEU A 96 -3.428 -4.222 -1.191 1.00 30.96 H new ATOM 1213 N LYS A 97 -5.583 -5.127 4.065 1.00 24.23 N ATOM 1214 CA LYS A 97 -6.527 -4.231 4.708 1.00 27.23 C ATOM 1215 C LYS A 97 -5.974 -2.816 4.792 1.00 29.52 C ATOM 1216 O LYS A 97 -4.962 -2.566 5.440 1.00 33.87 O ATOM 1217 CB LYS A 97 -6.860 -4.748 6.112 1.00 30.73 C ATOM 1218 CG LYS A 97 -7.530 -3.722 7.012 1.00 37.27 C ATOM 1219 CD LYS A 97 -7.498 -4.164 8.464 1.00 43.28 C ATOM 1220 CE LYS A 97 -7.848 -3.027 9.407 1.00 47.29 C ATOM 1221 NZ LYS A 97 -6.755 -2.022 9.499 1.00 53.53 N ATOM 0 H LYS A 97 -4.933 -5.579 4.709 1.00 24.23 H new ATOM 0 HA LYS A 97 -7.435 -4.203 4.106 1.00 27.23 H new ATOM 0 HB2 LYS A 97 -7.512 -5.617 6.022 1.00 30.73 H new ATOM 0 HB3 LYS A 97 -5.941 -5.088 6.589 1.00 30.73 H new ATOM 0 HG2 LYS A 97 -7.026 -2.761 6.910 1.00 37.27 H new ATOM 0 HG3 LYS A 97 -8.563 -3.576 6.696 1.00 37.27 H new ATOM 0 HD2 LYS A 97 -8.199 -4.986 8.609 1.00 43.28 H new ATOM 0 HD3 LYS A 97 -6.506 -4.545 8.706 1.00 43.28 H new ATOM 0 HE2 LYS A 97 -8.761 -2.540 9.064 1.00 47.29 H new ATOM 0 HE3 LYS A 97 -8.055 -3.429 10.399 1.00 47.29 H new ATOM 0 HZ1 LYS A 97 -6.818 -1.523 10.409 1.00 53.53 H new ATOM 0 HZ2 LYS A 97 -5.835 -2.502 9.431 1.00 53.53 H new ATOM 0 HZ3 LYS A 97 -6.847 -1.337 8.722 1.00 53.53 H new ATOM 1235 N PHE A 98 -6.641 -1.894 4.134 1.00 28.54 N ATOM 1236 CA PHE A 98 -6.226 -0.506 4.152 1.00 32.00 C ATOM 1237 C PHE A 98 -6.830 0.193 5.361 1.00 41.30 C ATOM 1238 O PHE A 98 -8.022 0.053 5.637 1.00 40.71 O ATOM 1239 CB PHE A 98 -6.653 0.197 2.863 1.00 34.75 C ATOM 1240 CG PHE A 98 -5.999 -0.361 1.631 1.00 36.16 C ATOM 1241 CD1 PHE A 98 -6.585 -1.403 0.932 1.00 38.20 C ATOM 1242 CD2 PHE A 98 -4.801 0.158 1.172 1.00 39.29 C ATOM 1243 CE1 PHE A 98 -5.988 -1.918 -0.200 1.00 37.36 C ATOM 1244 CE2 PHE A 98 -4.200 -0.354 0.038 1.00 37.59 C ATOM 1245 CZ PHE A 98 -4.795 -1.392 -0.649 1.00 41.72 C ATOM 0 H PHE A 98 -7.476 -2.080 3.578 1.00 28.54 H new ATOM 0 HA PHE A 98 -5.139 -0.462 4.221 1.00 32.00 H new ATOM 0 HB2 PHE A 98 -7.735 0.119 2.757 1.00 34.75 H new ATOM 0 HB3 PHE A 98 -6.416 1.258 2.942 1.00 34.75 H new ATOM 0 HD1 PHE A 98 -7.521 -1.817 1.277 1.00 38.20 H new ATOM 0 HD2 PHE A 98 -4.331 0.971 1.705 1.00 39.29 H new ATOM 0 HE1 PHE A 98 -6.455 -2.732 -0.734 1.00 37.36 H new ATOM 0 HE2 PHE A 98 -3.265 0.058 -0.311 1.00 37.59 H new ATOM 0 HZ PHE A 98 -4.327 -1.792 -1.537 1.00 41.72 H new ATOM 1255 N LYS A 99 -6.006 0.944 6.084 1.00 39.61 N ATOM 1256 CA LYS A 99 -6.464 1.668 7.266 1.00 51.59 C ATOM 1257 C LYS A 99 -7.149 2.963 6.852 1.00 53.57 C ATOM 1258 O LYS A 99 -7.451 3.823 7.680 1.00 58.09 O ATOM 1259 CB LYS A 99 -5.297 1.962 8.212 1.00 54.03 C ATOM 1260 CG LYS A 99 -4.662 0.716 8.810 1.00 57.71 C ATOM 1261 CD LYS A 99 -3.701 1.070 9.932 1.00 58.04 C ATOM 1262 CE LYS A 99 -2.781 -0.090 10.277 1.00 58.77 C ATOM 1263 NZ LYS A 99 -1.801 0.275 11.332 1.00 59.82 N ATOM 0 H LYS A 99 -5.016 1.068 5.872 1.00 39.61 H new ATOM 0 HA LYS A 99 -7.181 1.042 7.797 1.00 51.59 H new ATOM 0 HB2 LYS A 99 -4.535 2.522 7.670 1.00 54.03 H new ATOM 0 HB3 LYS A 99 -5.649 2.602 9.021 1.00 54.03 H new ATOM 0 HG2 LYS A 99 -5.441 0.055 9.190 1.00 57.71 H new ATOM 0 HG3 LYS A 99 -4.130 0.167 8.033 1.00 57.71 H new ATOM 0 HD2 LYS A 99 -3.103 1.933 9.639 1.00 58.04 H new ATOM 0 HD3 LYS A 99 -4.267 1.360 10.817 1.00 58.04 H new ATOM 0 HE2 LYS A 99 -3.377 -0.938 10.613 1.00 58.77 H new ATOM 0 HE3 LYS A 99 -2.248 -0.410 9.381 1.00 58.77 H new ATOM 0 HZ1 LYS A 99 -0.940 -0.298 11.220 1.00 59.82 H new ATOM 0 HZ2 LYS A 99 -1.559 1.283 11.248 1.00 59.82 H new ATOM 0 HZ3 LYS A 99 -2.216 0.096 12.269 1.00 59.82 H new ATOM 1277 N ALA A 100 -7.384 3.090 5.558 1.00 57.45 N ATOM 1278 CA ALA A 100 -8.042 4.246 4.993 1.00 59.65 C ATOM 1279 C ALA A 100 -9.006 3.790 3.910 1.00 62.53 C ATOM 1280 O ALA A 100 -8.652 2.973 3.065 1.00 66.68 O ATOM 1281 CB ALA A 100 -7.019 5.213 4.420 1.00 58.23 C ATOM 0 H ALA A 100 -7.120 2.387 4.868 1.00 57.45 H new ATOM 0 HA ALA A 100 -8.595 4.765 5.775 1.00 59.65 H new ATOM 0 HB1 ALA A 100 -7.532 6.078 3.999 1.00 58.23 H new ATOM 0 HB2 ALA A 100 -6.345 5.541 5.211 1.00 58.23 H new ATOM 0 HB3 ALA A 100 -6.445 4.715 3.638 1.00 58.23 H new ATOM 1287 N GLY A 101 -10.234 4.273 3.968 1.00 63.08 N ATOM 1288 CA GLY A 101 -11.222 3.899 2.973 1.00 61.32 C ATOM 1289 C GLY A 101 -11.888 2.571 3.283 1.00 61.66 C ATOM 1290 O GLY A 101 -12.861 2.194 2.630 1.00 64.05 O ATOM 0 H GLY A 101 -10.568 4.917 4.685 1.00 63.08 H new ATOM 0 HA2 GLY A 101 -11.983 4.677 2.911 1.00 61.32 H new ATOM 0 HA3 GLY A 101 -10.744 3.842 1.995 1.00 61.32 H new ATOM 1294 N SER A 102 -11.351 1.866 4.285 1.00 58.97 N ATOM 1295 CA SER A 102 -11.874 0.569 4.707 1.00 58.40 C ATOM 1296 C SER A 102 -11.821 -0.450 3.567 1.00 54.28 C ATOM 1297 O SER A 102 -12.656 -1.348 3.484 1.00 53.70 O ATOM 1298 CB SER A 102 -13.314 0.719 5.206 1.00 61.16 C ATOM 1299 OG SER A 102 -13.426 1.802 6.119 1.00 65.44 O ATOM 0 H SER A 102 -10.544 2.181 4.823 1.00 58.97 H new ATOM 0 HA SER A 102 -11.246 0.202 5.519 1.00 58.40 H new ATOM 0 HB2 SER A 102 -13.981 0.882 4.359 1.00 61.16 H new ATOM 0 HB3 SER A 102 -13.633 -0.204 5.690 1.00 61.16 H new ATOM 0 HG SER A 102 -14.355 1.879 6.423 1.00 65.44 H new ATOM 1305 N LYS A 103 -10.831 -0.315 2.696 1.00 42.18 N ATOM 1306 CA LYS A 103 -10.693 -1.220 1.565 1.00 39.27 C ATOM 1307 C LYS A 103 -9.940 -2.483 1.971 1.00 32.13 C ATOM 1308 O LYS A 103 -8.994 -2.431 2.758 1.00 30.46 O ATOM 1309 CB LYS A 103 -9.977 -0.515 0.411 1.00 41.30 C ATOM 1310 CG LYS A 103 -10.017 -1.280 -0.903 1.00 45.61 C ATOM 1311 CD LYS A 103 -9.640 -0.382 -2.069 1.00 48.56 C ATOM 1312 CE LYS A 103 -9.811 -1.085 -3.408 1.00 52.94 C ATOM 1313 NZ LYS A 103 -9.992 -0.114 -4.520 1.00 56.96 N ATOM 0 H LYS A 103 -10.115 0.409 2.751 1.00 42.18 H new ATOM 0 HA LYS A 103 -11.689 -1.513 1.233 1.00 39.27 H new ATOM 0 HB2 LYS A 103 -10.429 0.466 0.262 1.00 41.30 H new ATOM 0 HB3 LYS A 103 -8.937 -0.348 0.691 1.00 41.30 H new ATOM 0 HG2 LYS A 103 -9.332 -2.127 -0.856 1.00 45.61 H new ATOM 0 HG3 LYS A 103 -11.016 -1.686 -1.061 1.00 45.61 H new ATOM 0 HD2 LYS A 103 -10.257 0.516 -2.049 1.00 48.56 H new ATOM 0 HD3 LYS A 103 -8.605 -0.059 -1.958 1.00 48.56 H new ATOM 0 HE2 LYS A 103 -8.938 -1.707 -3.607 1.00 52.94 H new ATOM 0 HE3 LYS A 103 -10.673 -1.751 -3.362 1.00 52.94 H new ATOM 0 HZ1 LYS A 103 -10.105 -0.630 -5.416 1.00 56.96 H new ATOM 0 HZ2 LYS A 103 -10.839 0.463 -4.343 1.00 56.96 H new ATOM 0 HZ3 LYS A 103 -9.158 0.505 -4.580 1.00 56.96 H new ATOM 1327 N ARG A 104 -10.385 -3.619 1.447 1.00 31.79 N ATOM 1328 CA ARG A 104 -9.761 -4.905 1.740 1.00 29.38 C ATOM 1329 C ARG A 104 -9.601 -5.723 0.463 1.00 27.45 C ATOM 1330 O ARG A 104 -10.587 -6.044 -0.201 1.00 30.91 O ATOM 1331 CB ARG A 104 -10.597 -5.699 2.747 1.00 29.71 C ATOM 1332 CG ARG A 104 -10.403 -5.272 4.194 1.00 34.22 C ATOM 1333 CD ARG A 104 -11.575 -4.445 4.697 1.00 37.47 C ATOM 1334 NE ARG A 104 -11.530 -4.272 6.149 1.00 40.87 N ATOM 1335 CZ ARG A 104 -12.425 -3.576 6.848 1.00 41.17 C ATOM 1336 NH1 ARG A 104 -13.454 -3.005 6.236 1.00 43.44 N ATOM 1337 NH2 ARG A 104 -12.294 -3.467 8.165 1.00 45.95 N ATOM 0 H ARG A 104 -11.182 -3.676 0.812 1.00 31.79 H new ATOM 0 HA ARG A 104 -8.779 -4.709 2.170 1.00 29.38 H new ATOM 0 HB2 ARG A 104 -11.651 -5.596 2.488 1.00 29.71 H new ATOM 0 HB3 ARG A 104 -10.348 -6.756 2.656 1.00 29.71 H new ATOM 0 HG2 ARG A 104 -10.285 -6.155 4.822 1.00 34.22 H new ATOM 0 HG3 ARG A 104 -9.484 -4.693 4.283 1.00 34.22 H new ATOM 0 HD2 ARG A 104 -11.566 -3.468 4.213 1.00 37.47 H new ATOM 0 HD3 ARG A 104 -12.510 -4.930 4.417 1.00 37.47 H new ATOM 0 HE ARG A 104 -10.764 -4.713 6.659 1.00 40.87 H new ATOM 0 HH11 ARG A 104 -13.562 -3.098 5.226 1.00 43.44 H new ATOM 0 HH12 ARG A 104 -14.137 -2.473 6.775 1.00 43.44 H new ATOM 0 HH21 ARG A 104 -11.510 -3.916 8.638 1.00 45.95 H new ATOM 0 HH22 ARG A 104 -12.978 -2.935 8.703 1.00 45.95 H new ATOM 1351 N LEU A 105 -8.365 -6.048 0.118 1.00 23.75 N ATOM 1352 CA LEU A 105 -8.088 -6.844 -1.073 1.00 24.35 C ATOM 1353 C LEU A 105 -7.689 -8.259 -0.670 1.00 24.13 C ATOM 1354 O LEU A 105 -6.693 -8.452 0.022 1.00 23.73 O ATOM 1355 CB LEU A 105 -6.980 -6.195 -1.905 1.00 25.87 C ATOM 1356 CG LEU A 105 -7.359 -4.876 -2.587 1.00 32.66 C ATOM 1357 CD1 LEU A 105 -6.133 -4.225 -3.210 1.00 35.05 C ATOM 1358 CD2 LEU A 105 -8.430 -5.112 -3.643 1.00 35.88 C ATOM 0 H LEU A 105 -7.536 -5.774 0.645 1.00 23.75 H new ATOM 0 HA LEU A 105 -8.991 -6.891 -1.682 1.00 24.35 H new ATOM 0 HB2 LEU A 105 -6.120 -6.017 -1.259 1.00 25.87 H new ATOM 0 HB3 LEU A 105 -6.662 -6.902 -2.671 1.00 25.87 H new ATOM 0 HG LEU A 105 -7.761 -4.201 -1.831 1.00 32.66 H new ATOM 0 HD11 LEU A 105 -6.422 -3.290 -3.690 1.00 35.05 H new ATOM 0 HD12 LEU A 105 -5.395 -4.022 -2.434 1.00 35.05 H new ATOM 0 HD13 LEU A 105 -5.703 -4.896 -3.953 1.00 35.05 H new ATOM 0 HD21 LEU A 105 -8.688 -4.165 -4.118 1.00 35.88 H new ATOM 0 HD22 LEU A 105 -8.053 -5.804 -4.396 1.00 35.88 H new ATOM 0 HD23 LEU A 105 -9.317 -5.536 -3.173 1.00 35.88 H new ATOM 1370 N PHE A 106 -8.472 -9.240 -1.095 1.00 21.94 N ATOM 1371 CA PHE A 106 -8.205 -10.633 -0.756 1.00 21.33 C ATOM 1372 C PHE A 106 -7.383 -11.318 -1.841 1.00 21.73 C ATOM 1373 O PHE A 106 -7.642 -11.142 -3.034 1.00 21.19 O ATOM 1374 CB PHE A 106 -9.518 -11.392 -0.544 1.00 22.93 C ATOM 1375 CG PHE A 106 -10.436 -10.756 0.461 1.00 22.29 C ATOM 1376 CD1 PHE A 106 -10.335 -11.069 1.805 1.00 23.36 C ATOM 1377 CD2 PHE A 106 -11.402 -9.845 0.059 1.00 24.62 C ATOM 1378 CE1 PHE A 106 -11.178 -10.484 2.733 1.00 24.37 C ATOM 1379 CE2 PHE A 106 -12.247 -9.258 0.981 1.00 25.44 C ATOM 1380 CZ PHE A 106 -12.134 -9.577 2.319 1.00 26.43 C ATOM 0 H PHE A 106 -9.298 -9.098 -1.676 1.00 21.94 H new ATOM 0 HA PHE A 106 -7.630 -10.645 0.170 1.00 21.33 H new ATOM 0 HB2 PHE A 106 -10.039 -11.470 -1.498 1.00 22.93 H new ATOM 0 HB3 PHE A 106 -9.290 -12.408 -0.221 1.00 22.93 H new ATOM 0 HD1 PHE A 106 -9.590 -11.778 2.133 1.00 23.36 H new ATOM 0 HD2 PHE A 106 -11.495 -9.592 -0.987 1.00 24.62 H new ATOM 0 HE1 PHE A 106 -11.089 -10.736 3.779 1.00 24.37 H new ATOM 0 HE2 PHE A 106 -12.995 -8.550 0.655 1.00 25.44 H new ATOM 0 HZ PHE A 106 -12.792 -9.118 3.042 1.00 26.43 H new ATOM 1390 N PHE A 107 -6.390 -12.089 -1.414 1.00 22.09 N ATOM 1391 CA PHE A 107 -5.517 -12.819 -2.323 1.00 20.70 C ATOM 1392 C PHE A 107 -5.290 -14.231 -1.801 1.00 23.14 C ATOM 1393 O PHE A 107 -4.921 -14.412 -0.639 1.00 23.83 O ATOM 1394 CB PHE A 107 -4.159 -12.118 -2.467 1.00 22.84 C ATOM 1395 CG PHE A 107 -4.229 -10.740 -3.065 1.00 24.08 C ATOM 1396 CD1 PHE A 107 -4.249 -10.565 -4.439 1.00 23.22 C ATOM 1397 CD2 PHE A 107 -4.269 -9.620 -2.250 1.00 23.74 C ATOM 1398 CE1 PHE A 107 -4.308 -9.298 -4.988 1.00 24.41 C ATOM 1399 CE2 PHE A 107 -4.329 -8.353 -2.794 1.00 23.14 C ATOM 1400 CZ PHE A 107 -4.350 -8.190 -4.165 1.00 23.57 C ATOM 0 H PHE A 107 -6.168 -12.225 -0.428 1.00 22.09 H new ATOM 0 HA PHE A 107 -6.002 -12.853 -3.298 1.00 20.70 H new ATOM 0 HB2 PHE A 107 -3.693 -12.050 -1.484 1.00 22.84 H new ATOM 0 HB3 PHE A 107 -3.509 -12.736 -3.086 1.00 22.84 H new ATOM 0 HD1 PHE A 107 -4.218 -11.428 -5.088 1.00 23.22 H new ATOM 0 HD2 PHE A 107 -4.253 -9.740 -1.177 1.00 23.74 H new ATOM 0 HE1 PHE A 107 -4.321 -9.175 -6.061 1.00 24.41 H new ATOM 0 HE2 PHE A 107 -4.360 -7.489 -2.147 1.00 23.14 H new ATOM 0 HZ PHE A 107 -4.399 -7.199 -4.592 1.00 23.57 H new ATOM 1410 N TRP A 108 -5.513 -15.228 -2.643 1.00 23.10 N ATOM 1411 CA TRP A 108 -5.309 -16.612 -2.240 1.00 21.46 C ATOM 1412 C TRP A 108 -4.029 -17.156 -2.862 1.00 22.39 C ATOM 1413 O TRP A 108 -3.825 -17.074 -4.077 1.00 23.19 O ATOM 1414 CB TRP A 108 -6.524 -17.494 -2.585 1.00 25.96 C ATOM 1415 CG TRP A 108 -6.932 -17.489 -4.032 1.00 24.14 C ATOM 1416 CD1 TRP A 108 -7.625 -16.514 -4.689 1.00 25.63 C ATOM 1417 CD2 TRP A 108 -6.706 -18.532 -4.990 1.00 26.30 C ATOM 1418 NE1 TRP A 108 -7.823 -16.875 -6.000 1.00 26.49 N ATOM 1419 CE2 TRP A 108 -7.268 -18.112 -6.207 1.00 25.85 C ATOM 1420 CE3 TRP A 108 -6.069 -19.776 -4.935 1.00 27.47 C ATOM 1421 CZ2 TRP A 108 -7.217 -18.892 -7.361 1.00 28.46 C ATOM 1422 CZ3 TRP A 108 -6.024 -20.551 -6.078 1.00 29.27 C ATOM 1423 CH2 TRP A 108 -6.592 -20.106 -7.277 1.00 28.29 C ATOM 0 H TRP A 108 -5.833 -15.107 -3.604 1.00 23.10 H new ATOM 0 HA TRP A 108 -5.203 -16.637 -1.155 1.00 21.46 H new ATOM 0 HB2 TRP A 108 -6.303 -18.520 -2.291 1.00 25.96 H new ATOM 0 HB3 TRP A 108 -7.372 -17.166 -1.984 1.00 25.96 H new ATOM 0 HD1 TRP A 108 -7.968 -15.592 -4.243 1.00 25.63 H new ATOM 0 HE1 TRP A 108 -8.304 -16.315 -6.704 1.00 26.49 H new ATOM 0 HE3 TRP A 108 -5.621 -20.124 -4.016 1.00 27.47 H new ATOM 0 HZ2 TRP A 108 -7.655 -18.551 -8.287 1.00 28.46 H new ATOM 0 HZ3 TRP A 108 -5.542 -21.517 -6.046 1.00 29.27 H new ATOM 0 HH2 TRP A 108 -6.536 -20.734 -8.154 1.00 28.29 H new ATOM 1434 N MET A 109 -3.159 -17.692 -2.014 1.00 22.47 N ATOM 1435 CA MET A 109 -1.876 -18.229 -2.454 1.00 22.63 C ATOM 1436 C MET A 109 -2.054 -19.405 -3.409 1.00 23.51 C ATOM 1437 O MET A 109 -2.784 -20.355 -3.118 1.00 25.87 O ATOM 1438 CB MET A 109 -1.041 -18.672 -1.250 1.00 22.83 C ATOM 1439 CG MET A 109 -0.713 -17.549 -0.278 1.00 24.26 C ATOM 1440 SD MET A 109 0.503 -16.384 -0.925 1.00 28.54 S ATOM 1441 CE MET A 109 0.503 -15.150 0.374 1.00 27.29 C ATOM 0 H MET A 109 -3.321 -17.767 -1.010 1.00 22.47 H new ATOM 0 HA MET A 109 -1.357 -17.432 -2.986 1.00 22.63 H new ATOM 0 HB2 MET A 109 -1.579 -19.455 -0.716 1.00 22.83 H new ATOM 0 HB3 MET A 109 -0.110 -19.112 -1.608 1.00 22.83 H new ATOM 0 HG2 MET A 109 -1.628 -17.010 -0.033 1.00 24.26 H new ATOM 0 HG3 MET A 109 -0.337 -17.979 0.651 1.00 24.26 H new ATOM 0 HE1 MET A 109 1.208 -14.357 0.123 1.00 27.29 H new ATOM 0 HE2 MET A 109 -0.497 -14.728 0.475 1.00 27.29 H new ATOM 0 HE3 MET A 109 0.798 -15.613 1.316 1.00 27.29 H new ATOM 1451 N GLN A 110 -1.369 -19.332 -4.543 1.00 23.09 N ATOM 1452 CA GLN A 110 -1.425 -20.384 -5.551 1.00 24.00 C ATOM 1453 C GLN A 110 -0.171 -21.246 -5.453 1.00 32.58 C ATOM 1454 O GLN A 110 0.235 -21.899 -6.416 1.00 41.60 O ATOM 1455 CB GLN A 110 -1.547 -19.783 -6.957 1.00 22.67 C ATOM 1456 CG GLN A 110 -2.874 -19.087 -7.217 1.00 25.04 C ATOM 1457 CD GLN A 110 -2.962 -18.485 -8.608 1.00 22.04 C ATOM 1458 OE1 GLN A 110 -1.954 -18.090 -9.198 1.00 24.50 O ATOM 1459 NE2 GLN A 110 -4.173 -18.408 -9.139 1.00 24.22 N ATOM 0 H GLN A 110 -0.764 -18.549 -4.789 1.00 23.09 H new ATOM 0 HA GLN A 110 -2.305 -21.001 -5.370 1.00 24.00 H new ATOM 0 HB2 GLN A 110 -0.738 -19.069 -7.107 1.00 22.67 H new ATOM 0 HB3 GLN A 110 -1.413 -20.576 -7.693 1.00 22.67 H new ATOM 0 HG2 GLN A 110 -3.686 -19.802 -7.084 1.00 25.04 H new ATOM 0 HG3 GLN A 110 -3.017 -18.300 -6.476 1.00 25.04 H new ATOM 0 HE21 GLN A 110 -4.981 -18.747 -8.617 1.00 24.22 H new ATOM 0 HE22 GLN A 110 -4.297 -18.010 -10.070 1.00 24.22 H new ATOM 1468 N GLU A 111 0.438 -21.227 -4.275 1.00 34.19 N ATOM 1469 CA GLU A 111 1.644 -21.994 -4.010 1.00 41.70 C ATOM 1470 C GLU A 111 1.271 -23.370 -3.466 1.00 40.45 C ATOM 1471 O GLU A 111 0.374 -23.485 -2.628 1.00 39.75 O ATOM 1472 CB GLU A 111 2.528 -21.253 -3.002 1.00 41.38 C ATOM 1473 CG GLU A 111 2.696 -19.773 -3.309 1.00 49.79 C ATOM 1474 CD GLU A 111 3.806 -19.499 -4.301 1.00 48.44 C ATOM 1475 OE1 GLU A 111 3.964 -20.278 -5.264 1.00 32.00 O ATOM 1476 OE2 GLU A 111 4.541 -18.505 -4.112 1.00 43.83 O ATOM 0 H GLU A 111 0.110 -20.680 -3.479 1.00 34.19 H new ATOM 0 HA GLU A 111 2.199 -22.116 -4.940 1.00 41.70 H new ATOM 0 HB2 GLU A 111 2.098 -21.362 -2.006 1.00 41.38 H new ATOM 0 HB3 GLU A 111 3.511 -21.724 -2.979 1.00 41.38 H new ATOM 0 HG2 GLU A 111 1.759 -19.380 -3.703 1.00 49.79 H new ATOM 0 HG3 GLU A 111 2.903 -19.236 -2.383 1.00 49.79 H new ATOM 1483 N PRO A 112 1.962 -24.427 -3.917 1.00 48.55 N ATOM 1484 CA PRO A 112 1.682 -25.802 -3.483 1.00 46.93 C ATOM 1485 C PRO A 112 2.153 -26.093 -2.059 1.00 45.48 C ATOM 1486 O PRO A 112 1.910 -27.178 -1.528 1.00 48.59 O ATOM 1487 CB PRO A 112 2.459 -26.652 -4.491 1.00 49.91 C ATOM 1488 CG PRO A 112 3.582 -25.783 -4.940 1.00 50.19 C ATOM 1489 CD PRO A 112 3.070 -24.368 -4.889 1.00 49.44 C ATOM 0 HA PRO A 112 0.611 -26.004 -3.460 1.00 46.93 H new ATOM 0 HB2 PRO A 112 2.828 -27.569 -4.033 1.00 49.91 H new ATOM 0 HB3 PRO A 112 1.828 -26.946 -5.329 1.00 49.91 H new ATOM 0 HG2 PRO A 112 4.451 -25.905 -4.293 1.00 50.19 H new ATOM 0 HG3 PRO A 112 3.897 -26.046 -5.950 1.00 50.19 H new ATOM 0 HD2 PRO A 112 3.846 -23.673 -4.568 1.00 49.44 H new ATOM 0 HD3 PRO A 112 2.726 -24.032 -5.867 1.00 49.44 H new ATOM 1497 N LYS A 113 2.825 -25.129 -1.444 1.00 45.43 N ATOM 1498 CA LYS A 113 3.324 -25.294 -0.087 1.00 45.69 C ATOM 1499 C LYS A 113 2.894 -24.132 0.796 1.00 44.46 C ATOM 1500 O LYS A 113 3.100 -22.968 0.450 1.00 42.11 O ATOM 1501 CB LYS A 113 4.853 -25.405 -0.083 1.00 48.90 C ATOM 1502 CG LYS A 113 5.377 -26.704 -0.670 1.00 48.99 C ATOM 1503 CD LYS A 113 6.738 -27.059 -0.096 1.00 65.37 C ATOM 1504 CE LYS A 113 7.307 -28.305 -0.750 1.00 71.52 C ATOM 1505 NZ LYS A 113 8.579 -28.737 -0.114 1.00 69.62 N ATOM 0 H LYS A 113 3.037 -24.224 -1.864 1.00 45.43 H new ATOM 0 HA LYS A 113 2.899 -26.215 0.313 1.00 45.69 H new ATOM 0 HB2 LYS A 113 5.270 -24.569 -0.645 1.00 48.90 H new ATOM 0 HB3 LYS A 113 5.212 -25.310 0.942 1.00 48.90 H new ATOM 0 HG2 LYS A 113 4.672 -27.509 -0.464 1.00 48.99 H new ATOM 0 HG3 LYS A 113 5.449 -26.613 -1.754 1.00 48.99 H new ATOM 0 HD2 LYS A 113 7.424 -26.225 -0.241 1.00 65.37 H new ATOM 0 HD3 LYS A 113 6.651 -27.218 0.979 1.00 65.37 H new ATOM 0 HE2 LYS A 113 6.578 -29.113 -0.687 1.00 71.52 H new ATOM 0 HE3 LYS A 113 7.478 -28.112 -1.809 1.00 71.52 H new ATOM 0 HZ1 LYS A 113 8.933 -29.591 -0.591 1.00 69.62 H new ATOM 0 HZ2 LYS A 113 9.284 -27.977 -0.196 1.00 69.62 H new ATOM 0 HZ3 LYS A 113 8.411 -28.946 0.891 1.00 69.62 H new ATOM 1519 N THR A 114 2.312 -24.454 1.944 1.00 40.64 N ATOM 1520 CA THR A 114 1.853 -23.447 2.894 1.00 36.42 C ATOM 1521 C THR A 114 3.026 -22.915 3.724 1.00 31.64 C ATOM 1522 O THR A 114 2.892 -21.958 4.487 1.00 32.89 O ATOM 1523 CB THR A 114 0.781 -24.044 3.827 1.00 39.21 C ATOM 1524 OG1 THR A 114 -0.069 -24.920 3.078 1.00 43.02 O ATOM 1525 CG2 THR A 114 -0.060 -22.953 4.471 1.00 38.60 C ATOM 0 H THR A 114 2.145 -25.415 2.242 1.00 40.64 H new ATOM 0 HA THR A 114 1.417 -22.620 2.333 1.00 36.42 H new ATOM 0 HB THR A 114 1.287 -24.597 4.618 1.00 39.21 H new ATOM 0 HG1 THR A 114 -0.750 -25.301 3.671 1.00 43.02 H new ATOM 0 HG21 THR A 114 -0.807 -23.406 5.123 1.00 38.60 H new ATOM 0 HG22 THR A 114 0.583 -22.296 5.057 1.00 38.60 H new ATOM 0 HG23 THR A 114 -0.560 -22.373 3.695 1.00 38.60 H new ATOM 1533 N ASP A 115 4.183 -23.541 3.551 1.00 30.92 N ATOM 1534 CA ASP A 115 5.396 -23.153 4.269 1.00 38.80 C ATOM 1535 C ASP A 115 5.854 -21.757 3.861 1.00 35.23 C ATOM 1536 O ASP A 115 6.477 -21.043 4.645 1.00 36.70 O ATOM 1537 CB ASP A 115 6.521 -24.154 3.988 1.00 44.02 C ATOM 1538 CG ASP A 115 6.653 -25.213 5.064 1.00 54.03 C ATOM 1539 OD1 ASP A 115 5.706 -26.011 5.242 1.00 54.30 O ATOM 1540 OD2 ASP A 115 7.712 -25.265 5.725 1.00 66.15 O ATOM 0 H ASP A 115 4.310 -24.327 2.914 1.00 30.92 H new ATOM 0 HA ASP A 115 5.164 -23.149 5.334 1.00 38.80 H new ATOM 0 HB2 ASP A 115 6.337 -24.639 3.029 1.00 44.02 H new ATOM 0 HB3 ASP A 115 7.465 -23.616 3.898 1.00 44.02 H new ATOM 1545 N GLN A 116 5.526 -21.367 2.636 1.00 32.65 N ATOM 1546 CA GLN A 116 5.930 -20.066 2.115 1.00 32.85 C ATOM 1547 C GLN A 116 4.841 -19.016 2.314 1.00 25.51 C ATOM 1548 O GLN A 116 5.061 -17.838 2.047 1.00 27.64 O ATOM 1549 CB GLN A 116 6.263 -20.172 0.626 1.00 36.33 C ATOM 1550 CG GLN A 116 7.240 -21.287 0.288 1.00 43.53 C ATOM 1551 CD GLN A 116 7.722 -21.220 -1.151 1.00 46.84 C ATOM 1552 OE1 GLN A 116 7.824 -20.141 -1.734 1.00 54.73 O ATOM 1553 NE2 GLN A 116 8.024 -22.369 -1.732 1.00 50.07 N ATOM 0 H GLN A 116 4.982 -21.932 1.984 1.00 32.65 H new ATOM 0 HA GLN A 116 6.814 -19.754 2.671 1.00 32.85 H new ATOM 0 HB2 GLN A 116 5.340 -20.330 0.068 1.00 36.33 H new ATOM 0 HB3 GLN A 116 6.680 -19.223 0.289 1.00 36.33 H new ATOM 0 HG2 GLN A 116 8.098 -21.230 0.958 1.00 43.53 H new ATOM 0 HG3 GLN A 116 6.762 -22.251 0.463 1.00 43.53 H new ATOM 0 HE21 GLN A 116 7.926 -23.243 -1.215 1.00 50.07 H new ATOM 0 HE22 GLN A 116 8.355 -22.381 -2.697 1.00 50.07 H new ATOM 1562 N ASP A 117 3.681 -19.442 2.789 1.00 25.38 N ATOM 1563 CA ASP A 117 2.550 -18.535 3.002 1.00 24.59 C ATOM 1564 C ASP A 117 2.917 -17.379 3.926 1.00 23.14 C ATOM 1565 O ASP A 117 2.909 -16.215 3.515 1.00 23.30 O ATOM 1566 CB ASP A 117 1.361 -19.294 3.588 1.00 24.94 C ATOM 1567 CG ASP A 117 0.439 -19.853 2.527 1.00 26.91 C ATOM 1568 OD1 ASP A 117 0.929 -20.246 1.451 1.00 27.07 O ATOM 1569 OD2 ASP A 117 -0.781 -19.921 2.780 1.00 29.31 O ATOM 0 H ASP A 117 3.492 -20.413 3.037 1.00 25.38 H new ATOM 0 HA ASP A 117 2.280 -18.123 2.030 1.00 24.59 H new ATOM 0 HB2 ASP A 117 1.728 -20.110 4.210 1.00 24.94 H new ATOM 0 HB3 ASP A 117 0.796 -18.627 4.239 1.00 24.94 H new ATOM 1574 N GLU A 118 3.241 -17.707 5.170 1.00 27.03 N ATOM 1575 CA GLU A 118 3.610 -16.700 6.156 1.00 26.55 C ATOM 1576 C GLU A 118 4.876 -15.960 5.731 1.00 23.71 C ATOM 1577 O GLU A 118 5.029 -14.772 6.005 1.00 25.11 O ATOM 1578 CB GLU A 118 3.794 -17.346 7.528 1.00 32.75 C ATOM 1579 CG GLU A 118 2.475 -17.684 8.211 1.00 36.67 C ATOM 1580 CD GLU A 118 1.700 -16.447 8.616 1.00 51.49 C ATOM 1581 OE1 GLU A 118 0.910 -15.929 7.797 1.00 49.04 O ATOM 1582 OE2 GLU A 118 1.883 -15.974 9.755 1.00 61.12 O ATOM 0 H GLU A 118 3.256 -18.665 5.521 1.00 27.03 H new ATOM 0 HA GLU A 118 2.803 -15.970 6.222 1.00 26.55 H new ATOM 0 HB2 GLU A 118 4.383 -18.256 7.418 1.00 32.75 H new ATOM 0 HB3 GLU A 118 4.365 -16.672 8.167 1.00 32.75 H new ATOM 0 HG2 GLU A 118 1.865 -18.287 7.539 1.00 36.67 H new ATOM 0 HG3 GLU A 118 2.672 -18.291 9.094 1.00 36.67 H new ATOM 1589 N GLU A 119 5.768 -16.669 5.047 1.00 24.14 N ATOM 1590 CA GLU A 119 7.011 -16.078 4.565 1.00 26.98 C ATOM 1591 C GLU A 119 6.699 -14.961 3.577 1.00 25.13 C ATOM 1592 O GLU A 119 7.270 -13.873 3.649 1.00 27.83 O ATOM 1593 CB GLU A 119 7.889 -17.146 3.906 1.00 28.20 C ATOM 1594 CG GLU A 119 9.305 -16.678 3.602 1.00 27.24 C ATOM 1595 CD GLU A 119 10.031 -16.178 4.836 1.00 28.47 C ATOM 1596 OE1 GLU A 119 9.952 -16.844 5.888 1.00 27.86 O ATOM 1597 OE2 GLU A 119 10.681 -15.117 4.765 1.00 30.36 O ATOM 0 H GLU A 119 5.653 -17.655 4.814 1.00 24.14 H new ATOM 0 HA GLU A 119 7.558 -15.661 5.411 1.00 26.98 H new ATOM 0 HB2 GLU A 119 7.937 -18.017 4.560 1.00 28.20 H new ATOM 0 HB3 GLU A 119 7.417 -17.469 2.978 1.00 28.20 H new ATOM 0 HG2 GLU A 119 9.869 -17.500 3.161 1.00 27.24 H new ATOM 0 HG3 GLU A 119 9.269 -15.882 2.859 1.00 27.24 H new ATOM 1604 N HIS A 120 5.769 -15.234 2.667 1.00 21.73 N ATOM 1605 CA HIS A 120 5.359 -14.252 1.676 1.00 22.27 C ATOM 1606 C HIS A 120 4.773 -13.033 2.377 1.00 22.52 C ATOM 1607 O HIS A 120 5.141 -11.899 2.081 1.00 24.30 O ATOM 1608 CB HIS A 120 4.311 -14.837 0.719 1.00 22.36 C ATOM 1609 CG HIS A 120 4.828 -15.879 -0.234 1.00 23.53 C ATOM 1610 ND1 HIS A 120 6.168 -16.088 -0.484 1.00 29.14 N ATOM 1611 CD2 HIS A 120 4.165 -16.768 -1.012 1.00 27.13 C ATOM 1612 CE1 HIS A 120 6.303 -17.057 -1.369 1.00 30.02 C ATOM 1613 NE2 HIS A 120 5.104 -17.487 -1.711 1.00 30.38 N ATOM 0 H HIS A 120 5.286 -16.130 2.598 1.00 21.73 H new ATOM 0 HA HIS A 120 6.237 -13.966 1.097 1.00 22.27 H new ATOM 0 HB2 HIS A 120 3.506 -15.275 1.310 1.00 22.36 H new ATOM 0 HB3 HIS A 120 3.875 -14.022 0.141 1.00 22.36 H new ATOM 0 HD2 HIS A 120 3.094 -16.889 -1.072 1.00 27.13 H new ATOM 0 HE1 HIS A 120 7.240 -17.435 -1.750 1.00 30.02 H new ATOM 0 HE2 HIS A 120 4.907 -18.229 -2.382 1.00 30.38 H new ATOM 1622 N CYS A 121 3.879 -13.290 3.327 1.00 21.37 N ATOM 1623 CA CYS A 121 3.217 -12.233 4.083 1.00 22.64 C ATOM 1624 C CYS A 121 4.224 -11.338 4.804 1.00 24.68 C ATOM 1625 O CYS A 121 4.171 -10.115 4.682 1.00 24.70 O ATOM 1626 CB CYS A 121 2.251 -12.853 5.096 1.00 26.11 C ATOM 1627 SG CYS A 121 1.329 -11.655 6.091 1.00 28.52 S ATOM 0 H CYS A 121 3.594 -14.233 3.593 1.00 21.37 H new ATOM 0 HA CYS A 121 2.665 -11.610 3.379 1.00 22.64 H new ATOM 0 HB2 CYS A 121 1.541 -13.484 4.562 1.00 26.11 H new ATOM 0 HB3 CYS A 121 2.815 -13.503 5.765 1.00 26.11 H new ATOM 0 HG CYS A 121 1.904 -10.492 6.012 1.00 28.52 H new ATOM 1633 N ARG A 122 5.147 -11.953 5.536 1.00 25.35 N ATOM 1634 CA ARG A 122 6.156 -11.211 6.286 1.00 25.95 C ATOM 1635 C ARG A 122 6.960 -10.283 5.383 1.00 23.36 C ATOM 1636 O ARG A 122 7.138 -9.104 5.698 1.00 26.33 O ATOM 1637 CB ARG A 122 7.094 -12.171 7.015 1.00 27.25 C ATOM 1638 CG ARG A 122 6.453 -12.849 8.214 1.00 37.10 C ATOM 1639 CD ARG A 122 7.469 -13.634 9.024 1.00 28.22 C ATOM 1640 NE ARG A 122 7.989 -14.793 8.295 1.00 35.74 N ATOM 1641 CZ ARG A 122 7.543 -16.041 8.461 1.00 30.48 C ATOM 1642 NH1 ARG A 122 6.548 -16.291 9.310 1.00 31.71 N ATOM 1643 NH2 ARG A 122 8.084 -17.039 7.775 1.00 40.70 N ATOM 0 H ARG A 122 5.218 -12.967 5.626 1.00 25.35 H new ATOM 0 HA ARG A 122 5.632 -10.597 7.018 1.00 25.95 H new ATOM 0 HB2 ARG A 122 7.436 -12.934 6.316 1.00 27.25 H new ATOM 0 HB3 ARG A 122 7.977 -11.623 7.346 1.00 27.25 H new ATOM 0 HG2 ARG A 122 5.983 -12.098 8.849 1.00 37.10 H new ATOM 0 HG3 ARG A 122 5.663 -13.518 7.874 1.00 37.10 H new ATOM 0 HD2 ARG A 122 8.296 -12.979 9.297 1.00 28.22 H new ATOM 0 HD3 ARG A 122 7.008 -13.969 9.953 1.00 28.22 H new ATOM 0 HE ARG A 122 8.737 -14.638 7.619 1.00 35.74 H new ATOM 0 HH11 ARG A 122 6.123 -15.528 9.837 1.00 31.71 H new ATOM 0 HH12 ARG A 122 6.211 -17.246 9.433 1.00 31.71 H new ATOM 0 HH21 ARG A 122 8.843 -16.854 7.119 1.00 40.70 H new ATOM 0 HH22 ARG A 122 7.741 -17.991 7.904 1.00 40.70 H new ATOM 1657 N LYS A 123 7.426 -10.810 4.257 1.00 22.81 N ATOM 1658 CA LYS A 123 8.207 -10.019 3.316 1.00 24.60 C ATOM 1659 C LYS A 123 7.369 -8.890 2.729 1.00 24.94 C ATOM 1660 O LYS A 123 7.849 -7.767 2.570 1.00 25.77 O ATOM 1661 CB LYS A 123 8.760 -10.901 2.199 1.00 27.36 C ATOM 1662 CG LYS A 123 9.789 -11.905 2.682 1.00 28.78 C ATOM 1663 CD LYS A 123 10.509 -12.567 1.523 1.00 35.71 C ATOM 1664 CE LYS A 123 11.472 -13.633 2.009 1.00 44.84 C ATOM 1665 NZ LYS A 123 12.286 -14.191 0.900 1.00 55.57 N ATOM 0 H LYS A 123 7.277 -11.779 3.975 1.00 22.81 H new ATOM 0 HA LYS A 123 9.044 -9.580 3.860 1.00 24.60 H new ATOM 0 HB2 LYS A 123 7.936 -11.435 1.725 1.00 27.36 H new ATOM 0 HB3 LYS A 123 9.211 -10.268 1.435 1.00 27.36 H new ATOM 0 HG2 LYS A 123 10.514 -11.404 3.323 1.00 28.78 H new ATOM 0 HG3 LYS A 123 9.299 -12.666 3.289 1.00 28.78 H new ATOM 0 HD2 LYS A 123 9.780 -13.013 0.847 1.00 35.71 H new ATOM 0 HD3 LYS A 123 11.054 -11.814 0.953 1.00 35.71 H new ATOM 0 HE2 LYS A 123 12.132 -13.208 2.766 1.00 44.84 H new ATOM 0 HE3 LYS A 123 10.913 -14.436 2.488 1.00 44.84 H new ATOM 0 HZ1 LYS A 123 12.931 -14.916 1.274 1.00 55.57 H new ATOM 0 HZ2 LYS A 123 11.658 -14.619 0.190 1.00 55.57 H new ATOM 0 HZ3 LYS A 123 12.840 -13.429 0.458 1.00 55.57 H new ATOM 1679 N VAL A 124 6.114 -9.188 2.416 1.00 23.64 N ATOM 1680 CA VAL A 124 5.210 -8.189 1.864 1.00 22.10 C ATOM 1681 C VAL A 124 4.991 -7.061 2.869 1.00 22.85 C ATOM 1682 O VAL A 124 5.132 -5.887 2.536 1.00 24.21 O ATOM 1683 CB VAL A 124 3.848 -8.808 1.463 1.00 22.81 C ATOM 1684 CG1 VAL A 124 2.813 -7.731 1.169 1.00 23.59 C ATOM 1685 CG2 VAL A 124 4.012 -9.721 0.257 1.00 24.46 C ATOM 0 H VAL A 124 5.700 -10.113 2.535 1.00 23.64 H new ATOM 0 HA VAL A 124 5.675 -7.788 0.963 1.00 22.10 H new ATOM 0 HB VAL A 124 3.491 -9.397 2.308 1.00 22.81 H new ATOM 0 HG11 VAL A 124 1.869 -8.200 0.891 1.00 23.59 H new ATOM 0 HG12 VAL A 124 2.665 -7.116 2.057 1.00 23.59 H new ATOM 0 HG13 VAL A 124 3.163 -7.105 0.348 1.00 23.59 H new ATOM 0 HG21 VAL A 124 3.045 -10.147 -0.011 1.00 24.46 H new ATOM 0 HG22 VAL A 124 4.401 -9.147 -0.584 1.00 24.46 H new ATOM 0 HG23 VAL A 124 4.708 -10.524 0.501 1.00 24.46 H new ATOM 1695 N ASN A 125 4.686 -7.432 4.106 1.00 23.90 N ATOM 1696 CA ASN A 125 4.448 -6.463 5.173 1.00 25.34 C ATOM 1697 C ASN A 125 5.644 -5.530 5.362 1.00 27.59 C ATOM 1698 O ASN A 125 5.483 -4.310 5.452 1.00 26.42 O ATOM 1699 CB ASN A 125 4.147 -7.186 6.492 1.00 25.30 C ATOM 1700 CG ASN A 125 2.676 -7.527 6.657 1.00 26.31 C ATOM 1701 OD1 ASN A 125 2.233 -8.620 6.303 1.00 30.74 O ATOM 1702 ND2 ASN A 125 1.907 -6.600 7.209 1.00 26.69 N ATOM 0 H ASN A 125 4.597 -8.405 4.399 1.00 23.90 H new ATOM 0 HA ASN A 125 3.587 -5.861 4.882 1.00 25.34 H new ATOM 0 HB2 ASN A 125 4.735 -8.103 6.540 1.00 25.30 H new ATOM 0 HB3 ASN A 125 4.465 -6.559 7.325 1.00 25.30 H new ATOM 0 HD21 ASN A 125 0.914 -6.781 7.353 1.00 26.69 H new ATOM 0 HD22 ASN A 125 2.308 -5.705 7.490 1.00 26.69 H new ATOM 1709 N GLU A 126 6.843 -6.105 5.389 1.00 26.42 N ATOM 1710 CA GLU A 126 8.063 -5.328 5.585 1.00 28.43 C ATOM 1711 C GLU A 126 8.336 -4.380 4.422 1.00 31.22 C ATOM 1712 O GLU A 126 8.810 -3.263 4.626 1.00 33.04 O ATOM 1713 CB GLU A 126 9.266 -6.252 5.776 1.00 30.84 C ATOM 1714 CG GLU A 126 9.197 -7.095 7.036 1.00 32.00 C ATOM 1715 CD GLU A 126 10.508 -7.793 7.334 1.00 38.76 C ATOM 1716 OE1 GLU A 126 10.795 -8.826 6.693 1.00 35.92 O ATOM 1717 OE2 GLU A 126 11.259 -7.310 8.208 1.00 44.64 O ATOM 0 H GLU A 126 6.996 -7.107 5.277 1.00 26.42 H new ATOM 0 HA GLU A 126 7.912 -4.729 6.483 1.00 28.43 H new ATOM 0 HB2 GLU A 126 9.346 -6.912 4.912 1.00 30.84 H new ATOM 0 HB3 GLU A 126 10.174 -5.650 5.802 1.00 30.84 H new ATOM 0 HG2 GLU A 126 8.926 -6.461 7.880 1.00 32.00 H new ATOM 0 HG3 GLU A 126 8.408 -7.839 6.930 1.00 32.00 H new ATOM 1724 N CYS A 127 8.046 -4.817 3.207 1.00 27.47 N ATOM 1725 CA CYS A 127 8.285 -3.988 2.033 1.00 28.50 C ATOM 1726 C CYS A 127 7.193 -2.934 1.851 1.00 30.91 C ATOM 1727 O CYS A 127 7.470 -1.819 1.419 1.00 35.43 O ATOM 1728 CB CYS A 127 8.387 -4.859 0.783 1.00 31.38 C ATOM 1729 SG CYS A 127 9.640 -6.159 0.898 1.00 46.40 S ATOM 0 H CYS A 127 7.647 -5.734 3.007 1.00 27.47 H new ATOM 0 HA CYS A 127 9.229 -3.465 2.186 1.00 28.50 H new ATOM 0 HB2 CYS A 127 7.417 -5.318 0.592 1.00 31.38 H new ATOM 0 HB3 CYS A 127 8.614 -4.224 -0.073 1.00 31.38 H new ATOM 0 HG CYS A 127 9.130 -7.203 1.480 1.00 46.40 H new ATOM 1735 N LEU A 128 5.960 -3.285 2.197 1.00 26.38 N ATOM 1736 CA LEU A 128 4.836 -2.365 2.047 1.00 27.69 C ATOM 1737 C LEU A 128 4.903 -1.210 3.040 1.00 35.20 C ATOM 1738 O LEU A 128 4.420 -0.115 2.761 1.00 35.19 O ATOM 1739 CB LEU A 128 3.503 -3.103 2.216 1.00 27.68 C ATOM 1740 CG LEU A 128 3.132 -4.078 1.092 1.00 27.47 C ATOM 1741 CD1 LEU A 128 1.650 -4.403 1.148 1.00 27.78 C ATOM 1742 CD2 LEU A 128 3.503 -3.514 -0.273 1.00 27.78 C ATOM 0 H LEU A 128 5.712 -4.196 2.582 1.00 26.38 H new ATOM 0 HA LEU A 128 4.901 -1.953 1.040 1.00 27.69 H new ATOM 0 HB2 LEU A 128 3.532 -3.655 3.155 1.00 27.68 H new ATOM 0 HB3 LEU A 128 2.708 -2.362 2.306 1.00 27.68 H new ATOM 0 HG LEU A 128 3.701 -4.996 1.239 1.00 27.47 H new ATOM 0 HD11 LEU A 128 1.399 -5.096 0.345 1.00 27.78 H new ATOM 0 HD12 LEU A 128 1.414 -4.860 2.109 1.00 27.78 H new ATOM 0 HD13 LEU A 128 1.072 -3.487 1.030 1.00 27.78 H new ATOM 0 HD21 LEU A 128 3.228 -4.228 -1.049 1.00 27.78 H new ATOM 0 HD22 LEU A 128 2.970 -2.577 -0.437 1.00 27.78 H new ATOM 0 HD23 LEU A 128 4.577 -3.332 -0.312 1.00 27.78 H new ATOM 1754 N ASN A 129 5.491 -1.445 4.202 1.00 31.80 N ATOM 1755 CA ASN A 129 5.568 -0.397 5.207 1.00 41.40 C ATOM 1756 C ASN A 129 6.998 0.083 5.429 1.00 46.78 C ATOM 1757 O ASN A 129 7.315 0.632 6.485 1.00 58.88 O ATOM 1758 CB ASN A 129 4.962 -0.865 6.536 1.00 39.28 C ATOM 1759 CG ASN A 129 3.461 -1.124 6.468 1.00 45.62 C ATOM 1760 OD1 ASN A 129 2.793 -0.616 5.439 1.00 53.22 O flip ATOM 1761 ND2 ASN A 129 2.903 -1.789 7.340 1.00 37.18 N flip ATOM 0 H ASN A 129 5.914 -2.334 4.470 1.00 31.80 H new ATOM 0 HA ASN A 129 4.988 0.444 4.827 1.00 41.40 H new ATOM 0 HB2 ASN A 129 5.465 -1.778 6.853 1.00 39.28 H new ATOM 0 HB3 ASN A 129 5.158 -0.112 7.299 1.00 39.28 H new ATOM 0 HD21 ASN A 129 3.444 -2.166 8.118 1.00 37.18 H new ATOM 0 HD22 ASN A 129 1.900 -1.963 7.284 1.00 37.18 H new ATOM 1768 N ASN A 130 7.855 -0.106 4.432 1.00 54.30 N ATOM 1769 CA ASN A 130 9.248 0.329 4.529 1.00 56.86 C ATOM 1770 C ASN A 130 9.936 0.230 3.176 1.00 60.77 C ATOM 1771 O ASN A 130 9.354 0.606 2.158 1.00 59.36 O ATOM 1772 CB ASN A 130 10.014 -0.496 5.568 1.00 60.10 C ATOM 1773 CG ASN A 130 11.353 0.128 5.921 1.00 66.88 C ATOM 1774 OD1 ASN A 130 12.378 -0.193 5.318 1.00 72.02 O ATOM 1775 ND2 ASN A 130 11.353 1.028 6.894 1.00 69.88 N ATOM 0 H ASN A 130 7.613 -0.556 3.549 1.00 54.30 H new ATOM 0 HA ASN A 130 9.248 1.371 4.850 1.00 56.86 H new ATOM 0 HB2 ASN A 130 9.410 -0.592 6.470 1.00 60.10 H new ATOM 0 HB3 ASN A 130 10.174 -1.503 5.183 1.00 60.10 H new ATOM 0 HD21 ASN A 130 12.224 1.483 7.168 1.00 69.88 H new ATOM 0 HD22 ASN A 130 10.482 1.266 7.369 1.00 69.88 H new TER 1782 ASN A 130 ATOM 1783 N MET B 1 -16.318 19.132 7.675 1.00 9.67 N ATOM 1784 CA MET B 1 -16.268 17.824 8.360 1.00 10.38 C ATOM 1785 C MET B 1 -14.876 17.578 8.930 1.00 9.62 C ATOM 1786 O MET B 1 -13.872 17.975 8.336 1.00 9.62 O ATOM 1787 CB MET B 1 -16.656 16.692 7.399 1.00 13.77 C ATOM 1788 CG MET B 1 -15.722 16.539 6.207 1.00 16.29 C ATOM 1789 SD MET B 1 -16.353 15.387 4.972 1.00 17.17 S ATOM 1790 CE MET B 1 -15.003 15.380 3.793 1.00 16.11 C ATOM 0 H1 MET B 1 -17.179 19.187 7.095 1.00 9.67 H new ATOM 0 H2 MET B 1 -16.327 19.894 8.382 1.00 9.67 H new ATOM 0 H3 MET B 1 -15.482 19.236 7.065 1.00 9.67 H new ATOM 0 HA MET B 1 -16.986 17.840 9.180 1.00 10.38 H new ATOM 0 HB2 MET B 1 -16.679 15.753 7.952 1.00 13.77 H new ATOM 0 HB3 MET B 1 -17.667 16.871 7.034 1.00 13.77 H new ATOM 0 HG2 MET B 1 -15.568 17.514 5.744 1.00 16.29 H new ATOM 0 HG3 MET B 1 -14.748 16.194 6.555 1.00 16.29 H new ATOM 0 HE1 MET B 1 -15.335 14.920 2.862 1.00 16.11 H new ATOM 0 HE2 MET B 1 -14.685 16.404 3.598 1.00 16.11 H new ATOM 0 HE3 MET B 1 -14.167 14.812 4.201 1.00 16.11 H new ATOM 1802 N GLN B 2 -14.821 16.939 10.088 1.00 9.27 N ATOM 1803 CA GLN B 2 -13.555 16.645 10.740 1.00 9.07 C ATOM 1804 C GLN B 2 -12.895 15.422 10.116 1.00 8.72 C ATOM 1805 O GLN B 2 -13.535 14.386 9.922 1.00 8.22 O ATOM 1806 CB GLN B 2 -13.772 16.409 12.236 1.00 14.46 C ATOM 1807 CG GLN B 2 -14.329 17.618 12.971 1.00 17.01 C ATOM 1808 CD GLN B 2 -13.284 18.692 13.216 1.00 20.10 C ATOM 1809 OE1 GLN B 2 -12.100 18.402 13.390 1.00 21.89 O ATOM 1810 NE2 GLN B 2 -13.716 19.941 13.239 1.00 19.49 N ATOM 0 H GLN B 2 -15.642 16.613 10.597 1.00 9.27 H new ATOM 0 HA GLN B 2 -12.897 17.503 10.604 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -14.454 15.569 12.367 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -12.824 16.123 12.691 1.00 14.46 H new ATOM 0 HG2 GLN B 2 -15.150 18.042 12.393 1.00 17.01 H new ATOM 0 HG3 GLN B 2 -14.744 17.297 13.926 1.00 17.01 H new ATOM 0 HE21 GLN B 2 -14.705 20.141 13.090 1.00 19.49 H new ATOM 0 HE22 GLN B 2 -13.060 20.704 13.405 1.00 19.49 H new ATOM 1819 N ILE B 3 -11.622 15.558 9.777 1.00 5.87 N ATOM 1820 CA ILE B 3 -10.860 14.462 9.201 1.00 5.07 C ATOM 1821 C ILE B 3 -9.659 14.160 10.084 1.00 4.01 C ATOM 1822 O ILE B 3 -9.162 15.041 10.788 1.00 4.61 O ATOM 1823 CB ILE B 3 -10.377 14.760 7.761 1.00 6.55 C ATOM 1824 CG1 ILE B 3 -9.532 16.036 7.728 1.00 4.72 C ATOM 1825 CG2 ILE B 3 -11.563 14.870 6.809 1.00 5.58 C ATOM 1826 CD1 ILE B 3 -8.661 16.155 6.496 1.00 10.83 C ATOM 0 H ILE B 3 -11.093 16.422 9.892 1.00 5.87 H new ATOM 0 HA ILE B 3 -11.525 13.600 9.148 1.00 5.07 H new ATOM 0 HB ILE B 3 -9.752 13.931 7.430 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -10.193 16.901 7.780 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -8.899 16.065 8.615 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -11.203 15.080 5.802 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -12.117 13.931 6.808 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -12.218 15.678 7.136 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -8.091 17.083 6.541 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -7.974 15.309 6.453 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -9.289 16.158 5.605 1.00 10.83 H new ATOM 1838 N PHE B 4 -9.195 12.922 10.051 1.00 4.55 N ATOM 1839 CA PHE B 4 -8.067 12.518 10.875 1.00 4.68 C ATOM 1840 C PHE B 4 -6.854 12.188 10.017 1.00 5.30 C ATOM 1841 O PHE B 4 -6.805 11.137 9.381 1.00 5.58 O ATOM 1842 CB PHE B 4 -8.443 11.305 11.730 1.00 4.83 C ATOM 1843 CG PHE B 4 -9.616 11.541 12.642 1.00 7.97 C ATOM 1844 CD1 PHE B 4 -9.427 12.046 13.919 1.00 6.69 C ATOM 1845 CD2 PHE B 4 -10.908 11.255 12.223 1.00 8.34 C ATOM 1846 CE1 PHE B 4 -10.504 12.264 14.759 1.00 9.10 C ATOM 1847 CE2 PHE B 4 -11.986 11.469 13.058 1.00 10.61 C ATOM 1848 CZ PHE B 4 -11.784 11.974 14.328 1.00 8.90 C ATOM 0 H PHE B 4 -9.580 12.181 9.465 1.00 4.55 H new ATOM 0 HA PHE B 4 -7.811 13.353 11.528 1.00 4.68 H new ATOM 0 HB2 PHE B 4 -8.670 10.466 11.072 1.00 4.83 H new ATOM 0 HB3 PHE B 4 -7.581 11.015 12.331 1.00 4.83 H new ATOM 0 HD1 PHE B 4 -8.428 12.272 14.262 1.00 6.69 H new ATOM 0 HD2 PHE B 4 -11.072 10.860 11.231 1.00 8.34 H new ATOM 0 HE1 PHE B 4 -10.344 12.661 15.751 1.00 9.10 H new ATOM 0 HE2 PHE B 4 -12.986 11.242 12.719 1.00 10.61 H new ATOM 0 HZ PHE B 4 -12.626 12.142 14.983 1.00 8.90 H new ATOM 1858 N VAL B 5 -5.886 13.089 9.991 1.00 4.44 N ATOM 1859 CA VAL B 5 -4.670 12.879 9.219 1.00 3.87 C ATOM 1860 C VAL B 5 -3.588 12.295 10.119 1.00 4.93 C ATOM 1861 O VAL B 5 -3.016 12.991 10.958 1.00 6.84 O ATOM 1862 CB VAL B 5 -4.159 14.190 8.582 1.00 2.99 C ATOM 1863 CG1 VAL B 5 -2.958 13.924 7.687 1.00 5.28 C ATOM 1864 CG2 VAL B 5 -5.271 14.872 7.800 1.00 9.13 C ATOM 0 H VAL B 5 -5.918 13.975 10.496 1.00 4.44 H new ATOM 0 HA VAL B 5 -4.904 12.185 8.412 1.00 3.87 H new ATOM 0 HB VAL B 5 -3.843 14.858 9.383 1.00 2.99 H new ATOM 0 HG11 VAL B 5 -2.616 14.862 7.249 1.00 5.28 H new ATOM 0 HG12 VAL B 5 -2.154 13.484 8.278 1.00 5.28 H new ATOM 0 HG13 VAL B 5 -3.242 13.235 6.892 1.00 5.28 H new ATOM 0 HG21 VAL B 5 -4.893 15.794 7.358 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -5.620 14.208 7.010 1.00 9.13 H new ATOM 0 HG23 VAL B 5 -6.098 15.104 8.471 1.00 9.13 H new ATOM 1874 N LYS B 6 -3.316 11.014 9.949 1.00 6.04 N ATOM 1875 CA LYS B 6 -2.323 10.340 10.764 1.00 6.12 C ATOM 1876 C LYS B 6 -0.976 10.266 10.056 1.00 6.57 C ATOM 1877 O LYS B 6 -0.890 9.900 8.881 1.00 5.76 O ATOM 1878 CB LYS B 6 -2.800 8.935 11.129 1.00 7.45 C ATOM 1879 CG LYS B 6 -2.130 8.374 12.371 1.00 11.12 C ATOM 1880 CD LYS B 6 -2.651 6.990 12.706 1.00 14.54 C ATOM 1881 CE LYS B 6 -2.108 6.502 14.037 1.00 18.84 C ATOM 1882 NZ LYS B 6 -2.626 7.301 15.174 1.00 20.55 N ATOM 0 H LYS B 6 -3.769 10.420 9.254 1.00 6.04 H new ATOM 0 HA LYS B 6 -2.193 10.923 11.676 1.00 6.12 H new ATOM 0 HB2 LYS B 6 -3.879 8.955 11.285 1.00 7.45 H new ATOM 0 HB3 LYS B 6 -2.611 8.266 10.290 1.00 7.45 H new ATOM 0 HG2 LYS B 6 -1.052 8.330 12.216 1.00 11.12 H new ATOM 0 HG3 LYS B 6 -2.304 9.043 13.213 1.00 11.12 H new ATOM 0 HD2 LYS B 6 -3.740 7.008 12.740 1.00 14.54 H new ATOM 0 HD3 LYS B 6 -2.368 6.292 11.918 1.00 14.54 H new ATOM 0 HE2 LYS B 6 -2.378 5.455 14.177 1.00 18.84 H new ATOM 0 HE3 LYS B 6 -1.019 6.552 14.025 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 -1.829 7.660 15.738 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 -3.181 8.102 14.811 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 -3.231 6.703 15.772 1.00 20.55 H new ATOM 1896 N THR B 7 0.067 10.627 10.781 1.00 7.41 N ATOM 1897 CA THR B 7 1.418 10.596 10.252 1.00 7.48 C ATOM 1898 C THR B 7 2.074 9.257 10.568 1.00 8.75 C ATOM 1899 O THR B 7 1.513 8.445 11.310 1.00 8.58 O ATOM 1900 CB THR B 7 2.265 11.733 10.853 1.00 9.61 C ATOM 1901 OG1 THR B 7 1.969 11.868 12.249 1.00 11.78 O ATOM 1902 CG2 THR B 7 1.991 13.052 10.145 1.00 9.17 C ATOM 0 H THR B 7 0.002 10.948 11.747 1.00 7.41 H new ATOM 0 HA THR B 7 1.362 10.729 9.172 1.00 7.48 H new ATOM 0 HB THR B 7 3.318 11.483 10.720 1.00 9.61 H new ATOM 0 HG1 THR B 7 2.791 11.755 12.770 1.00 11.78 H new ATOM 0 HG21 THR B 7 2.602 13.837 10.590 1.00 9.17 H new ATOM 0 HG22 THR B 7 2.237 12.955 9.088 1.00 9.17 H new ATOM 0 HG23 THR B 7 0.937 13.309 10.250 1.00 9.17 H new ATOM 1910 N LEU B 8 3.256 9.026 10.011 1.00 9.84 N ATOM 1911 CA LEU B 8 3.978 7.781 10.254 1.00 14.15 C ATOM 1912 C LEU B 8 4.433 7.700 11.704 1.00 17.37 C ATOM 1913 O LEU B 8 4.566 6.613 12.264 1.00 17.01 O ATOM 1914 CB LEU B 8 5.187 7.661 9.327 1.00 16.63 C ATOM 1915 CG LEU B 8 4.865 7.451 7.847 1.00 18.88 C ATOM 1916 CD1 LEU B 8 6.091 6.933 7.109 1.00 19.31 C ATOM 1917 CD2 LEU B 8 3.693 6.492 7.678 1.00 18.59 C ATOM 0 H LEU B 8 3.734 9.680 9.391 1.00 9.84 H new ATOM 0 HA LEU B 8 3.297 6.956 10.048 1.00 14.15 H new ATOM 0 HB2 LEU B 8 5.789 8.564 9.425 1.00 16.63 H new ATOM 0 HB3 LEU B 8 5.803 6.829 9.668 1.00 16.63 H new ATOM 0 HG LEU B 8 4.580 8.412 7.418 1.00 18.88 H new ATOM 0 HD11 LEU B 8 5.848 6.788 6.056 1.00 19.31 H new ATOM 0 HD12 LEU B 8 6.902 7.656 7.198 1.00 19.31 H new ATOM 0 HD13 LEU B 8 6.403 5.983 7.544 1.00 19.31 H new ATOM 0 HD21 LEU B 8 3.482 6.358 6.617 1.00 18.59 H new ATOM 0 HD22 LEU B 8 3.944 5.529 8.122 1.00 18.59 H new ATOM 0 HD23 LEU B 8 2.813 6.902 8.174 1.00 18.59 H new ATOM 1929 N THR B 9 4.650 8.859 12.305 1.00 18.33 N ATOM 1930 CA THR B 9 5.089 8.938 13.684 1.00 19.24 C ATOM 1931 C THR B 9 3.976 8.517 14.642 1.00 19.48 C ATOM 1932 O THR B 9 4.238 8.090 15.767 1.00 23.14 O ATOM 1933 CB THR B 9 5.551 10.365 14.016 1.00 18.97 C ATOM 1934 OG1 THR B 9 4.959 11.287 13.087 1.00 20.24 O ATOM 1935 CG2 THR B 9 7.069 10.475 13.948 1.00 19.70 C ATOM 0 H THR B 9 4.527 9.765 11.852 1.00 18.33 H new ATOM 0 HA THR B 9 5.927 8.252 13.808 1.00 19.24 H new ATOM 0 HB THR B 9 5.234 10.605 15.031 1.00 18.97 H new ATOM 0 HG1 THR B 9 5.252 12.198 13.299 1.00 20.24 H new ATOM 0 HG21 THR B 9 7.371 11.495 14.187 1.00 19.70 H new ATOM 0 HG22 THR B 9 7.516 9.787 14.665 1.00 19.70 H new ATOM 0 HG23 THR B 9 7.407 10.222 12.943 1.00 19.70 H new ATOM 1943 N GLY B 10 2.735 8.635 14.185 1.00 19.43 N ATOM 1944 CA GLY B 10 1.603 8.253 15.007 1.00 18.74 C ATOM 1945 C GLY B 10 0.704 9.423 15.348 1.00 17.62 C ATOM 1946 O GLY B 10 -0.425 9.228 15.800 1.00 19.74 O ATOM 0 H GLY B 10 2.493 8.989 13.259 1.00 19.43 H new ATOM 0 HA2 GLY B 10 1.021 7.493 14.485 1.00 18.74 H new ATOM 0 HA3 GLY B 10 1.966 7.799 15.929 1.00 18.74 H new ATOM 1950 N LYS B 11 1.193 10.636 15.123 1.00 13.56 N ATOM 1951 CA LYS B 11 0.419 11.835 15.419 1.00 11.91 C ATOM 1952 C LYS B 11 -0.781 11.956 14.486 1.00 10.18 C ATOM 1953 O LYS B 11 -0.630 12.018 13.262 1.00 9.10 O ATOM 1954 CB LYS B 11 1.293 13.089 15.311 1.00 13.43 C ATOM 1955 CG LYS B 11 0.565 14.361 15.718 1.00 16.69 C ATOM 1956 CD LYS B 11 1.446 15.592 15.568 1.00 17.92 C ATOM 1957 CE LYS B 11 0.762 16.818 16.145 1.00 20.81 C ATOM 1958 NZ LYS B 11 1.633 18.022 16.102 1.00 21.93 N ATOM 0 H LYS B 11 2.120 10.815 14.737 1.00 13.56 H new ATOM 0 HA LYS B 11 0.055 11.748 16.443 1.00 11.91 H new ATOM 0 HB2 LYS B 11 2.175 12.965 15.940 1.00 13.43 H new ATOM 0 HB3 LYS B 11 1.645 13.192 14.285 1.00 13.43 H new ATOM 0 HG2 LYS B 11 -0.330 14.478 15.107 1.00 16.69 H new ATOM 0 HG3 LYS B 11 0.235 14.275 16.753 1.00 16.69 H new ATOM 0 HD2 LYS B 11 2.397 15.428 16.075 1.00 17.92 H new ATOM 0 HD3 LYS B 11 1.671 15.758 14.514 1.00 17.92 H new ATOM 0 HE2 LYS B 11 -0.155 17.015 15.589 1.00 20.81 H new ATOM 0 HE3 LYS B 11 0.473 16.618 17.177 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 1.647 18.474 17.039 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 2.599 17.742 15.838 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 1.263 18.693 15.399 1.00 21.93 H new ATOM 1972 N THR B 12 -1.967 11.978 15.073 1.00 9.63 N ATOM 1973 CA THR B 12 -3.196 12.092 14.311 1.00 9.85 C ATOM 1974 C THR B 12 -3.726 13.523 14.361 1.00 11.66 C ATOM 1975 O THR B 12 -4.402 13.919 15.316 1.00 12.33 O ATOM 1976 CB THR B 12 -4.264 11.122 14.848 1.00 10.85 C ATOM 1977 OG1 THR B 12 -3.631 9.923 15.316 1.00 10.91 O ATOM 1978 CG2 THR B 12 -5.279 10.778 13.768 1.00 9.63 C ATOM 0 H THR B 12 -2.103 11.918 16.082 1.00 9.63 H new ATOM 0 HA THR B 12 -2.975 11.831 13.276 1.00 9.85 H new ATOM 0 HB THR B 12 -4.790 11.607 15.671 1.00 10.85 H new ATOM 0 HG1 THR B 12 -4.288 9.369 15.788 1.00 10.91 H new ATOM 0 HG21 THR B 12 -6.022 10.091 14.173 1.00 9.63 H new ATOM 0 HG22 THR B 12 -5.773 11.689 13.429 1.00 9.63 H new ATOM 0 HG23 THR B 12 -4.770 10.307 12.927 1.00 9.63 H new ATOM 1986 N ILE B 13 -3.407 14.294 13.330 1.00 10.42 N ATOM 1987 CA ILE B 13 -3.832 15.683 13.240 1.00 11.84 C ATOM 1988 C ILE B 13 -5.260 15.768 12.717 1.00 10.55 C ATOM 1989 O ILE B 13 -5.571 15.249 11.645 1.00 11.92 O ATOM 1990 CB ILE B 13 -2.901 16.494 12.312 1.00 14.86 C ATOM 1991 CG1 ILE B 13 -1.438 16.284 12.713 1.00 14.87 C ATOM 1992 CG2 ILE B 13 -3.259 17.973 12.354 1.00 17.08 C ATOM 1993 CD1 ILE B 13 -0.454 16.598 11.606 1.00 16.46 C ATOM 0 H ILE B 13 -2.850 13.976 12.537 1.00 10.42 H new ATOM 0 HA ILE B 13 -3.783 16.108 14.243 1.00 11.84 H new ATOM 0 HB ILE B 13 -3.036 16.139 11.290 1.00 14.86 H new ATOM 0 HG12 ILE B 13 -1.213 16.911 13.576 1.00 14.87 H new ATOM 0 HG13 ILE B 13 -1.301 15.249 13.026 1.00 14.87 H new ATOM 0 HG21 ILE B 13 -2.592 18.528 11.694 1.00 17.08 H new ATOM 0 HG22 ILE B 13 -4.289 18.107 12.025 1.00 17.08 H new ATOM 0 HG23 ILE B 13 -3.152 18.344 13.373 1.00 17.08 H new ATOM 0 HD11 ILE B 13 0.562 16.426 11.963 1.00 16.46 H new ATOM 0 HD12 ILE B 13 -0.652 15.953 10.750 1.00 16.46 H new ATOM 0 HD13 ILE B 13 -0.562 17.641 11.308 1.00 16.46 H new ATOM 2005 N THR B 14 -6.127 16.410 13.478 1.00 9.39 N ATOM 2006 CA THR B 14 -7.515 16.553 13.082 1.00 9.63 C ATOM 2007 C THR B 14 -7.731 17.898 12.391 1.00 11.20 C ATOM 2008 O THR B 14 -7.310 18.942 12.894 1.00 11.63 O ATOM 2009 CB THR B 14 -8.448 16.416 14.298 1.00 10.38 C ATOM 2010 OG1 THR B 14 -7.901 15.443 15.203 1.00 16.30 O ATOM 2011 CG2 THR B 14 -9.843 15.984 13.867 1.00 11.66 C ATOM 0 H THR B 14 -5.894 16.840 14.373 1.00 9.39 H new ATOM 0 HA THR B 14 -7.756 15.756 12.379 1.00 9.63 H new ATOM 0 HB THR B 14 -8.527 17.385 14.791 1.00 10.38 H new ATOM 0 HG1 THR B 14 -8.490 15.352 15.981 1.00 16.30 H new ATOM 0 HG21 THR B 14 -10.483 15.894 14.744 1.00 11.66 H new ATOM 0 HG22 THR B 14 -10.260 16.727 13.188 1.00 11.66 H new ATOM 0 HG23 THR B 14 -9.785 15.021 13.360 1.00 11.66 H new ATOM 2019 N LEU B 15 -8.359 17.863 11.225 1.00 8.29 N ATOM 2020 CA LEU B 15 -8.611 19.077 10.460 1.00 9.03 C ATOM 2021 C LEU B 15 -10.091 19.227 10.135 1.00 8.59 C ATOM 2022 O LEU B 15 -10.830 18.244 10.073 1.00 7.79 O ATOM 2023 CB LEU B 15 -7.803 19.062 9.157 1.00 11.08 C ATOM 2024 CG LEU B 15 -6.286 18.958 9.319 1.00 15.79 C ATOM 2025 CD1 LEU B 15 -5.626 18.729 7.970 1.00 15.88 C ATOM 2026 CD2 LEU B 15 -5.729 20.211 9.980 1.00 15.27 C ATOM 0 H LEU B 15 -8.703 17.008 10.788 1.00 8.29 H new ATOM 0 HA LEU B 15 -8.302 19.924 11.072 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -8.143 18.223 8.550 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -8.029 19.971 8.600 1.00 11.08 H new ATOM 0 HG LEU B 15 -6.066 18.106 9.963 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -4.546 18.657 8.101 1.00 15.88 H new ATOM 0 HD12 LEU B 15 -6.001 17.803 7.534 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -5.856 19.562 7.306 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -4.648 20.117 10.086 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -5.959 21.080 9.364 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -6.181 20.335 10.964 1.00 15.27 H new ATOM 2038 N GLU B 16 -10.507 20.469 9.929 1.00 11.04 N ATOM 2039 CA GLU B 16 -11.887 20.784 9.586 1.00 11.50 C ATOM 2040 C GLU B 16 -11.939 21.237 8.132 1.00 10.13 C ATOM 2041 O GLU B 16 -11.563 22.368 7.813 1.00 9.83 O ATOM 2042 CB GLU B 16 -12.422 21.881 10.518 1.00 17.22 C ATOM 2043 CG GLU B 16 -13.755 22.482 10.088 1.00 23.33 C ATOM 2044 CD GLU B 16 -14.924 21.544 10.292 1.00 26.99 C ATOM 2045 OE1 GLU B 16 -15.473 21.503 11.415 1.00 28.86 O ATOM 2046 OE2 GLU B 16 -15.318 20.863 9.328 1.00 28.90 O ATOM 0 H GLU B 16 -9.899 21.285 9.995 1.00 11.04 H new ATOM 0 HA GLU B 16 -12.514 19.901 9.710 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -12.531 21.467 11.520 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -11.682 22.679 10.582 1.00 17.22 H new ATOM 0 HG2 GLU B 16 -13.931 23.399 10.650 1.00 23.33 H new ATOM 0 HG3 GLU B 16 -13.699 22.759 9.035 1.00 23.33 H new ATOM 2053 N VAL B 17 -12.369 20.345 7.249 1.00 8.99 N ATOM 2054 CA VAL B 17 -12.444 20.655 5.824 1.00 8.85 C ATOM 2055 C VAL B 17 -13.742 20.144 5.217 1.00 8.04 C ATOM 2056 O VAL B 17 -14.447 19.341 5.824 1.00 8.99 O ATOM 2057 CB VAL B 17 -11.258 20.042 5.044 1.00 9.78 C ATOM 2058 CG1 VAL B 17 -9.956 20.756 5.378 1.00 12.05 C ATOM 2059 CG2 VAL B 17 -11.137 18.554 5.329 1.00 10.54 C ATOM 0 H VAL B 17 -12.671 19.402 7.492 1.00 8.99 H new ATOM 0 HA VAL B 17 -12.404 21.741 5.741 1.00 8.85 H new ATOM 0 HB VAL B 17 -11.454 20.174 3.980 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -9.139 20.304 4.816 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -10.040 21.810 5.113 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -9.755 20.666 6.446 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -10.296 18.144 4.770 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -10.973 18.400 6.396 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -12.055 18.050 5.026 1.00 10.54 H new ATOM 2069 N GLU B 18 -14.046 20.607 4.018 1.00 7.29 N ATOM 2070 CA GLU B 18 -15.253 20.201 3.316 1.00 7.08 C ATOM 2071 C GLU B 18 -14.889 19.304 2.137 1.00 6.45 C ATOM 2072 O GLU B 18 -13.757 19.333 1.670 1.00 5.28 O ATOM 2073 CB GLU B 18 -16.011 21.434 2.825 1.00 10.28 C ATOM 2074 CG GLU B 18 -16.543 22.301 3.949 1.00 12.65 C ATOM 2075 CD GLU B 18 -17.632 21.617 4.746 1.00 14.15 C ATOM 2076 OE1 GLU B 18 -18.814 21.737 4.364 1.00 14.33 O ATOM 2077 OE2 GLU B 18 -17.317 20.954 5.755 1.00 18.17 O ATOM 0 H GLU B 18 -13.467 21.272 3.504 1.00 7.29 H new ATOM 0 HA GLU B 18 -15.894 19.644 4.000 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -15.350 22.031 2.197 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -16.843 21.114 2.198 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -15.723 22.568 4.616 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -16.932 23.231 3.533 1.00 12.65 H new ATOM 2084 N PRO B 19 -15.835 18.492 1.635 1.00 7.24 N ATOM 2085 CA PRO B 19 -15.579 17.600 0.494 1.00 7.07 C ATOM 2086 C PRO B 19 -15.122 18.365 -0.749 1.00 6.65 C ATOM 2087 O PRO B 19 -14.412 17.828 -1.599 1.00 6.37 O ATOM 2088 CB PRO B 19 -16.936 16.936 0.241 1.00 7.61 C ATOM 2089 CG PRO B 19 -17.673 17.063 1.529 1.00 8.16 C ATOM 2090 CD PRO B 19 -17.214 18.355 2.141 1.00 7.49 C ATOM 0 HA PRO B 19 -14.778 16.892 0.707 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -17.471 17.429 -0.570 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -16.817 15.891 -0.044 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -18.750 17.070 1.363 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -17.457 16.221 2.187 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -17.841 19.192 1.834 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -17.242 18.318 3.230 1.00 7.49 H new ATOM 2098 N SER B 20 -15.521 19.627 -0.831 1.00 6.80 N ATOM 2099 CA SER B 20 -15.173 20.482 -1.958 1.00 6.28 C ATOM 2100 C SER B 20 -13.760 21.052 -1.825 1.00 8.45 C ATOM 2101 O SER B 20 -13.287 21.768 -2.709 1.00 7.26 O ATOM 2102 CB SER B 20 -16.185 21.622 -2.052 1.00 8.57 C ATOM 2103 OG SER B 20 -17.013 21.652 -0.898 1.00 11.13 O ATOM 0 H SER B 20 -16.093 20.086 -0.121 1.00 6.80 H new ATOM 0 HA SER B 20 -15.198 19.878 -2.865 1.00 6.28 H new ATOM 0 HB2 SER B 20 -15.662 22.572 -2.155 1.00 8.57 H new ATOM 0 HB3 SER B 20 -16.799 21.498 -2.944 1.00 8.57 H new ATOM 0 HG SER B 20 -17.654 22.389 -0.974 1.00 11.13 H new ATOM 2109 N ASP B 21 -13.091 20.743 -0.720 1.00 7.50 N ATOM 2110 CA ASP B 21 -11.738 21.234 -0.487 1.00 7.70 C ATOM 2111 C ASP B 21 -10.735 20.489 -1.353 1.00 7.08 C ATOM 2112 O ASP B 21 -10.901 19.298 -1.634 1.00 8.11 O ATOM 2113 CB ASP B 21 -11.348 21.086 0.984 1.00 11.00 C ATOM 2114 CG ASP B 21 -11.593 22.349 1.779 1.00 15.32 C ATOM 2115 OD1 ASP B 21 -10.885 23.350 1.544 1.00 18.03 O ATOM 2116 OD2 ASP B 21 -12.493 22.352 2.645 1.00 14.36 O ATOM 0 H ASP B 21 -13.462 20.156 0.027 1.00 7.50 H new ATOM 0 HA ASP B 21 -11.723 22.291 -0.753 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -11.915 20.267 1.426 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -10.294 20.817 1.052 1.00 11.00 H new ATOM 2121 N THR B 22 -9.703 21.196 -1.785 1.00 5.37 N ATOM 2122 CA THR B 22 -8.668 20.604 -2.612 1.00 6.01 C ATOM 2123 C THR B 22 -7.581 19.989 -1.743 1.00 8.01 C ATOM 2124 O THR B 22 -7.360 20.428 -0.611 1.00 8.11 O ATOM 2125 CB THR B 22 -8.031 21.649 -3.551 1.00 8.92 C ATOM 2126 OG1 THR B 22 -7.773 22.860 -2.830 1.00 10.22 O ATOM 2127 CG2 THR B 22 -8.937 21.946 -4.737 1.00 9.65 C ATOM 0 H THR B 22 -9.561 22.184 -1.575 1.00 5.37 H new ATOM 0 HA THR B 22 -9.139 19.829 -3.217 1.00 6.01 H new ATOM 0 HB THR B 22 -7.094 21.238 -3.927 1.00 8.92 H new ATOM 0 HG1 THR B 22 -7.367 23.519 -3.431 1.00 10.22 H new ATOM 0 HG21 THR B 22 -8.462 22.686 -5.381 1.00 9.65 H new ATOM 0 HG22 THR B 22 -9.109 21.030 -5.302 1.00 9.65 H new ATOM 0 HG23 THR B 22 -9.890 22.335 -4.378 1.00 9.65 H new ATOM 2135 N ILE B 23 -6.910 18.974 -2.270 1.00 8.32 N ATOM 2136 CA ILE B 23 -5.834 18.305 -1.546 1.00 9.92 C ATOM 2137 C ILE B 23 -4.744 19.312 -1.186 1.00 10.01 C ATOM 2138 O ILE B 23 -4.134 19.241 -0.119 1.00 8.71 O ATOM 2139 CB ILE B 23 -5.221 17.159 -2.380 1.00 10.78 C ATOM 2140 CG1 ILE B 23 -6.317 16.199 -2.865 1.00 11.38 C ATOM 2141 CG2 ILE B 23 -4.167 16.408 -1.577 1.00 10.90 C ATOM 2142 CD1 ILE B 23 -7.165 15.613 -1.757 1.00 12.30 C ATOM 0 H ILE B 23 -7.091 18.594 -3.199 1.00 8.32 H new ATOM 0 HA ILE B 23 -6.258 17.878 -0.637 1.00 9.92 H new ATOM 0 HB ILE B 23 -4.735 17.596 -3.252 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -6.966 16.729 -3.562 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -5.851 15.385 -3.420 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -3.750 15.606 -2.185 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -3.372 17.095 -1.288 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -4.624 15.985 -0.683 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -7.914 14.947 -2.185 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -6.530 15.052 -1.071 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -7.663 16.417 -1.215 1.00 12.30 H new ATOM 2154 N GLU B 24 -4.534 20.266 -2.086 1.00 9.54 N ATOM 2155 CA GLU B 24 -3.538 21.308 -1.893 1.00 11.81 C ATOM 2156 C GLU B 24 -3.895 22.185 -0.693 1.00 11.14 C ATOM 2157 O GLU B 24 -3.024 22.551 0.095 1.00 10.62 O ATOM 2158 CB GLU B 24 -3.431 22.162 -3.155 1.00 19.24 C ATOM 2159 CG GLU B 24 -2.230 23.088 -3.166 1.00 27.76 C ATOM 2160 CD GLU B 24 -2.403 24.248 -4.120 1.00 32.92 C ATOM 2161 OE1 GLU B 24 -2.751 24.015 -5.298 1.00 34.80 O ATOM 2162 OE2 GLU B 24 -2.194 25.401 -3.701 1.00 36.51 O ATOM 0 H GLU B 24 -5.047 20.337 -2.965 1.00 9.54 H new ATOM 0 HA GLU B 24 -2.576 20.836 -1.696 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -3.380 21.506 -4.024 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -4.338 22.757 -3.258 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -2.061 23.471 -2.160 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -1.341 22.522 -3.445 1.00 27.76 H new ATOM 2169 N ASN B 25 -5.180 22.509 -0.555 1.00 9.43 N ATOM 2170 CA ASN B 25 -5.642 23.342 0.554 1.00 10.96 C ATOM 2171 C ASN B 25 -5.431 22.623 1.880 1.00 9.68 C ATOM 2172 O ASN B 25 -5.097 23.245 2.890 1.00 9.33 O ATOM 2173 CB ASN B 25 -7.119 23.713 0.385 1.00 16.78 C ATOM 2174 CG ASN B 25 -7.502 24.949 1.179 1.00 22.31 C ATOM 2175 OD1 ASN B 25 -6.672 25.828 1.421 1.00 25.66 O ATOM 2176 ND2 ASN B 25 -8.758 25.030 1.588 1.00 24.70 N ATOM 0 H ASN B 25 -5.916 22.209 -1.194 1.00 9.43 H new ATOM 0 HA ASN B 25 -5.056 24.261 0.552 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -7.329 23.884 -0.671 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -7.740 22.875 0.702 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -9.069 25.841 2.123 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -9.415 24.282 1.368 1.00 24.70 H new ATOM 2183 N VAL B 26 -5.627 21.308 1.867 1.00 6.52 N ATOM 2184 CA VAL B 26 -5.430 20.494 3.059 1.00 5.53 C ATOM 2185 C VAL B 26 -3.970 20.583 3.496 1.00 4.42 C ATOM 2186 O VAL B 26 -3.672 20.759 4.678 1.00 3.40 O ATOM 2187 CB VAL B 26 -5.811 19.015 2.813 1.00 3.86 C ATOM 2188 CG1 VAL B 26 -5.541 18.170 4.050 1.00 7.25 C ATOM 2189 CG2 VAL B 26 -7.270 18.902 2.396 1.00 8.12 C ATOM 0 H VAL B 26 -5.922 20.784 1.043 1.00 6.52 H new ATOM 0 HA VAL B 26 -6.082 20.879 3.843 1.00 5.53 H new ATOM 0 HB VAL B 26 -5.189 18.635 2.002 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -5.817 17.135 3.851 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -4.482 18.221 4.301 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -6.131 18.549 4.885 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -7.520 17.855 2.227 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -7.906 19.304 3.184 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -7.431 19.466 1.477 1.00 8.12 H new ATOM 2199 N LYS B 27 -3.070 20.488 2.521 1.00 2.64 N ATOM 2200 CA LYS B 27 -1.638 20.571 2.781 1.00 4.14 C ATOM 2201 C LYS B 27 -1.279 21.926 3.383 1.00 5.58 C ATOM 2202 O LYS B 27 -0.465 22.019 4.305 1.00 4.11 O ATOM 2203 CB LYS B 27 -0.846 20.370 1.487 1.00 3.97 C ATOM 2204 CG LYS B 27 -0.923 18.966 0.915 1.00 7.45 C ATOM 2205 CD LYS B 27 -0.110 18.863 -0.367 1.00 9.02 C ATOM 2206 CE LYS B 27 0.049 17.426 -0.827 1.00 12.90 C ATOM 2207 NZ LYS B 27 1.083 17.307 -1.891 1.00 15.47 N ATOM 0 H LYS B 27 -3.310 20.353 1.539 1.00 2.64 H new ATOM 0 HA LYS B 27 -1.380 19.783 3.489 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -1.211 21.074 0.739 1.00 3.97 H new ATOM 0 HB3 LYS B 27 0.199 20.616 1.673 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -0.550 18.249 1.646 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -1.962 18.706 0.714 1.00 7.45 H new ATOM 0 HD2 LYS B 27 -0.596 19.443 -1.152 1.00 9.02 H new ATOM 0 HD3 LYS B 27 0.874 19.304 -0.208 1.00 9.02 H new ATOM 0 HE2 LYS B 27 0.324 16.799 0.021 1.00 12.90 H new ATOM 0 HE3 LYS B 27 -0.905 17.055 -1.202 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 0.995 16.383 -2.359 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 0.949 18.064 -2.591 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 2.029 17.391 -1.467 1.00 15.47 H new ATOM 2221 N ALA B 28 -1.900 22.976 2.856 1.00 6.61 N ATOM 2222 CA ALA B 28 -1.661 24.332 3.328 1.00 7.74 C ATOM 2223 C ALA B 28 -2.027 24.470 4.802 1.00 9.17 C ATOM 2224 O ALA B 28 -1.333 25.143 5.566 1.00 11.45 O ATOM 2225 CB ALA B 28 -2.448 25.328 2.491 1.00 7.68 C ATOM 0 H ALA B 28 -2.577 22.911 2.096 1.00 6.61 H new ATOM 0 HA ALA B 28 -0.598 24.547 3.222 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -2.260 26.338 2.855 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -2.137 25.254 1.449 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -3.513 25.107 2.568 1.00 7.68 H new ATOM 2231 N LYS B 29 -3.113 23.817 5.197 1.00 8.96 N ATOM 2232 CA LYS B 29 -3.564 23.858 6.581 1.00 7.90 C ATOM 2233 C LYS B 29 -2.568 23.135 7.485 1.00 6.92 C ATOM 2234 O LYS B 29 -2.300 23.570 8.605 1.00 6.87 O ATOM 2235 CB LYS B 29 -4.961 23.247 6.710 1.00 10.28 C ATOM 2236 CG LYS B 29 -6.045 24.104 6.075 1.00 14.94 C ATOM 2237 CD LYS B 29 -7.438 23.599 6.410 1.00 19.69 C ATOM 2238 CE LYS B 29 -8.442 24.744 6.440 1.00 22.63 C ATOM 2239 NZ LYS B 29 -9.809 24.288 6.814 1.00 24.98 N ATOM 0 H LYS B 29 -3.697 23.254 4.579 1.00 8.96 H new ATOM 0 HA LYS B 29 -3.621 24.899 6.898 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -4.965 22.262 6.244 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -5.192 23.102 7.765 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -5.940 25.134 6.417 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -5.913 24.113 4.993 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -7.747 22.859 5.672 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -7.424 23.098 7.378 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -8.107 25.500 7.150 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -8.476 25.220 5.460 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -10.461 24.460 6.022 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -9.788 23.271 7.031 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -10.134 24.814 7.650 1.00 24.98 H new ATOM 2253 N ILE B 30 -2.008 22.038 6.987 1.00 4.57 N ATOM 2254 CA ILE B 30 -1.021 21.278 7.745 1.00 5.58 C ATOM 2255 C ILE B 30 0.271 22.085 7.861 1.00 7.26 C ATOM 2256 O ILE B 30 0.986 22.011 8.864 1.00 9.46 O ATOM 2257 CB ILE B 30 -0.727 19.909 7.089 1.00 5.36 C ATOM 2258 CG1 ILE B 30 -2.029 19.122 6.906 1.00 2.94 C ATOM 2259 CG2 ILE B 30 0.263 19.110 7.932 1.00 2.78 C ATOM 2260 CD1 ILE B 30 -1.856 17.810 6.171 1.00 2.00 C ATOM 0 H ILE B 30 -2.220 21.656 6.065 1.00 4.57 H new ATOM 0 HA ILE B 30 -1.431 21.090 8.737 1.00 5.58 H new ATOM 0 HB ILE B 30 -0.280 20.082 6.110 1.00 5.36 H new ATOM 0 HG12 ILE B 30 -2.463 18.923 7.886 1.00 2.94 H new ATOM 0 HG13 ILE B 30 -2.742 19.741 6.361 1.00 2.94 H new ATOM 0 HG21 ILE B 30 0.457 18.150 7.453 1.00 2.78 H new ATOM 0 HG22 ILE B 30 1.196 19.666 8.021 1.00 2.78 H new ATOM 0 HG23 ILE B 30 -0.156 18.943 8.924 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -2.822 17.313 6.082 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -1.453 18.001 5.176 1.00 2.00 H new ATOM 0 HD13 ILE B 30 -1.169 17.171 6.725 1.00 2.00 H new ATOM 2272 N GLN B 31 0.550 22.879 6.834 1.00 7.06 N ATOM 2273 CA GLN B 31 1.736 23.723 6.813 1.00 8.67 C ATOM 2274 C GLN B 31 1.591 24.856 7.828 1.00 10.90 C ATOM 2275 O GLN B 31 2.577 25.381 8.339 1.00 9.63 O ATOM 2276 CB GLN B 31 1.964 24.297 5.410 1.00 9.12 C ATOM 2277 CG GLN B 31 3.224 25.145 5.298 1.00 10.76 C ATOM 2278 CD GLN B 31 3.348 25.854 3.964 1.00 13.78 C ATOM 2279 OE1 GLN B 31 2.349 26.181 3.320 1.00 14.48 O ATOM 2280 NE2 GLN B 31 4.577 26.101 3.537 1.00 14.76 N ATOM 0 H GLN B 31 -0.034 22.955 6.001 1.00 7.06 H new ATOM 0 HA GLN B 31 2.600 23.114 7.082 1.00 8.67 H new ATOM 0 HB2 GLN B 31 2.023 23.476 4.695 1.00 9.12 H new ATOM 0 HB3 GLN B 31 1.102 24.902 5.129 1.00 9.12 H new ATOM 0 HG2 GLN B 31 3.228 25.885 6.098 1.00 10.76 H new ATOM 0 HG3 GLN B 31 4.097 24.509 5.447 1.00 10.76 H new ATOM 0 HE21 GLN B 31 5.379 25.815 4.098 1.00 14.76 H new ATOM 0 HE22 GLN B 31 4.721 26.577 2.647 1.00 14.76 H new ATOM 2289 N ASP B 32 0.352 25.224 8.119 1.00 10.93 N ATOM 2290 CA ASP B 32 0.078 26.289 9.076 1.00 14.01 C ATOM 2291 C ASP B 32 0.174 25.773 10.509 1.00 14.04 C ATOM 2292 O ASP B 32 0.661 26.468 11.401 1.00 13.39 O ATOM 2293 CB ASP B 32 -1.310 26.885 8.822 1.00 18.01 C ATOM 2294 CG ASP B 32 -1.718 27.874 9.895 1.00 24.33 C ATOM 2295 OD1 ASP B 32 -1.129 28.975 9.951 1.00 26.29 O ATOM 2296 OD2 ASP B 32 -2.632 27.555 10.685 1.00 25.17 O ATOM 0 H ASP B 32 -0.480 24.802 7.707 1.00 10.93 H new ATOM 0 HA ASP B 32 0.829 27.068 8.942 1.00 14.01 H new ATOM 0 HB2 ASP B 32 -1.317 27.382 7.852 1.00 18.01 H new ATOM 0 HB3 ASP B 32 -2.045 26.081 8.774 1.00 18.01 H new ATOM 2301 N LYS B 33 -0.286 24.550 10.726 1.00 14.22 N ATOM 2302 CA LYS B 33 -0.258 23.950 12.055 1.00 14.00 C ATOM 2303 C LYS B 33 1.115 23.364 12.384 1.00 12.37 C ATOM 2304 O LYS B 33 1.741 23.748 13.372 1.00 12.17 O ATOM 2305 CB LYS B 33 -1.331 22.863 12.170 1.00 18.62 C ATOM 2306 CG LYS B 33 -2.752 23.405 12.147 1.00 24.00 C ATOM 2307 CD LYS B 33 -3.757 22.357 12.606 1.00 27.61 C ATOM 2308 CE LYS B 33 -5.150 22.947 12.749 1.00 27.64 C ATOM 2309 NZ LYS B 33 -6.086 22.008 13.426 1.00 30.06 N ATOM 0 H LYS B 33 -0.683 23.953 10.001 1.00 14.22 H new ATOM 0 HA LYS B 33 -0.465 24.741 12.776 1.00 14.00 H new ATOM 0 HB2 LYS B 33 -1.208 22.155 11.351 1.00 18.62 H new ATOM 0 HB3 LYS B 33 -1.177 22.309 13.096 1.00 18.62 H new ATOM 0 HG2 LYS B 33 -2.819 24.281 12.792 1.00 24.00 H new ATOM 0 HG3 LYS B 33 -3.001 23.732 11.138 1.00 24.00 H new ATOM 0 HD2 LYS B 33 -3.780 21.535 11.890 1.00 27.61 H new ATOM 0 HD3 LYS B 33 -3.438 21.939 13.561 1.00 27.61 H new ATOM 0 HE2 LYS B 33 -5.094 23.876 13.317 1.00 27.64 H new ATOM 0 HE3 LYS B 33 -5.540 23.200 11.763 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 -7.059 22.365 13.339 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 -6.020 21.071 12.981 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 -5.834 21.932 14.432 1.00 30.06 H new ATOM 2323 N GLU B 34 1.583 22.445 11.552 1.00 10.11 N ATOM 2324 CA GLU B 34 2.869 21.798 11.776 1.00 10.07 C ATOM 2325 C GLU B 34 4.018 22.632 11.227 1.00 9.32 C ATOM 2326 O GLU B 34 5.009 22.865 11.918 1.00 11.61 O ATOM 2327 CB GLU B 34 2.889 20.417 11.121 1.00 14.77 C ATOM 2328 CG GLU B 34 1.828 19.471 11.653 1.00 18.75 C ATOM 2329 CD GLU B 34 2.025 19.142 13.116 1.00 22.28 C ATOM 2330 OE1 GLU B 34 3.069 18.556 13.465 1.00 21.95 O ATOM 2331 OE2 GLU B 34 1.137 19.464 13.927 1.00 25.19 O ATOM 0 H GLU B 34 1.092 22.130 10.715 1.00 10.11 H new ATOM 0 HA GLU B 34 3.000 21.697 12.853 1.00 10.07 H new ATOM 0 HB2 GLU B 34 2.753 20.533 10.046 1.00 14.77 H new ATOM 0 HB3 GLU B 34 3.871 19.968 11.271 1.00 14.77 H new ATOM 0 HG2 GLU B 34 0.844 19.919 11.514 1.00 18.75 H new ATOM 0 HG3 GLU B 34 1.843 18.549 11.072 1.00 18.75 H new ATOM 2338 N GLY B 35 3.877 23.081 9.989 1.00 7.22 N ATOM 2339 CA GLY B 35 4.927 23.864 9.364 1.00 6.29 C ATOM 2340 C GLY B 35 5.716 23.045 8.366 1.00 6.93 C ATOM 2341 O GLY B 35 6.875 23.343 8.071 1.00 7.41 O ATOM 0 H GLY B 35 3.056 22.919 9.405 1.00 7.22 H new ATOM 0 HA2 GLY B 35 4.488 24.726 8.862 1.00 6.29 H new ATOM 0 HA3 GLY B 35 5.599 24.250 10.131 1.00 6.29 H new ATOM 2345 N ILE B 36 5.081 22.001 7.855 1.00 5.86 N ATOM 2346 CA ILE B 36 5.704 21.111 6.888 1.00 6.07 C ATOM 2347 C ILE B 36 5.402 21.571 5.468 1.00 6.36 C ATOM 2348 O ILE B 36 4.249 21.852 5.143 1.00 6.18 O ATOM 2349 CB ILE B 36 5.197 19.663 7.064 1.00 7.47 C ATOM 2350 CG1 ILE B 36 5.310 19.235 8.527 1.00 8.52 C ATOM 2351 CG2 ILE B 36 5.976 18.707 6.169 1.00 7.36 C ATOM 2352 CD1 ILE B 36 4.544 17.969 8.849 1.00 9.49 C ATOM 0 H ILE B 36 4.123 21.748 8.098 1.00 5.86 H new ATOM 0 HA ILE B 36 6.780 21.138 7.061 1.00 6.07 H new ATOM 0 HB ILE B 36 4.148 19.628 6.770 1.00 7.47 H new ATOM 0 HG12 ILE B 36 6.361 19.086 8.773 1.00 8.52 H new ATOM 0 HG13 ILE B 36 4.945 20.042 9.162 1.00 8.52 H new ATOM 0 HG21 ILE B 36 5.603 17.692 6.309 1.00 7.36 H new ATOM 0 HG22 ILE B 36 5.850 19.000 5.127 1.00 7.36 H new ATOM 0 HG23 ILE B 36 7.033 18.744 6.431 1.00 7.36 H new ATOM 0 HD11 ILE B 36 4.670 17.726 9.904 1.00 9.49 H new ATOM 0 HD12 ILE B 36 3.486 18.120 8.635 1.00 9.49 H new ATOM 0 HD13 ILE B 36 4.924 17.149 8.240 1.00 9.49 H new ATOM 2364 N PRO B 37 6.431 21.680 4.611 1.00 8.65 N ATOM 2365 CA PRO B 37 6.250 22.088 3.214 1.00 9.18 C ATOM 2366 C PRO B 37 5.289 21.158 2.478 1.00 9.85 C ATOM 2367 O PRO B 37 5.431 19.936 2.546 1.00 8.51 O ATOM 2368 CB PRO B 37 7.660 21.980 2.620 1.00 11.42 C ATOM 2369 CG PRO B 37 8.577 22.069 3.790 1.00 9.27 C ATOM 2370 CD PRO B 37 7.847 21.435 4.937 1.00 8.33 C ATOM 0 HA PRO B 37 5.820 23.086 3.127 1.00 9.18 H new ATOM 0 HB2 PRO B 37 7.792 21.040 2.085 1.00 11.42 H new ATOM 0 HB3 PRO B 37 7.851 22.782 1.907 1.00 11.42 H new ATOM 0 HG2 PRO B 37 9.515 21.551 3.591 1.00 9.27 H new ATOM 0 HG3 PRO B 37 8.827 23.107 4.012 1.00 9.27 H new ATOM 0 HD2 PRO B 37 8.064 20.370 5.013 1.00 8.33 H new ATOM 0 HD3 PRO B 37 8.125 21.886 5.890 1.00 8.33 H new ATOM 2378 N PRO B 38 4.299 21.721 1.761 1.00 8.71 N ATOM 2379 CA PRO B 38 3.296 20.937 1.023 1.00 9.08 C ATOM 2380 C PRO B 38 3.905 19.955 0.018 1.00 9.28 C ATOM 2381 O PRO B 38 3.275 18.963 -0.351 1.00 6.50 O ATOM 2382 CB PRO B 38 2.455 21.996 0.297 1.00 10.31 C ATOM 2383 CG PRO B 38 3.247 23.258 0.365 1.00 10.81 C ATOM 2384 CD PRO B 38 4.069 23.168 1.617 1.00 12.00 C ATOM 0 HA PRO B 38 2.721 20.308 1.702 1.00 9.08 H new ATOM 0 HB2 PRO B 38 2.269 21.706 -0.737 1.00 10.31 H new ATOM 0 HB3 PRO B 38 1.483 22.118 0.774 1.00 10.31 H new ATOM 0 HG2 PRO B 38 3.885 23.365 -0.513 1.00 10.81 H new ATOM 0 HG3 PRO B 38 2.591 24.128 0.391 1.00 10.81 H new ATOM 0 HD2 PRO B 38 5.006 23.718 1.525 1.00 12.00 H new ATOM 0 HD3 PRO B 38 3.541 23.580 2.477 1.00 12.00 H new ATOM 2392 N ASP B 39 5.128 20.231 -0.419 1.00 11.20 N ATOM 2393 CA ASP B 39 5.813 19.364 -1.375 1.00 14.96 C ATOM 2394 C ASP B 39 6.253 18.068 -0.711 1.00 13.99 C ATOM 2395 O ASP B 39 6.227 17.001 -1.325 1.00 13.75 O ATOM 2396 CB ASP B 39 7.027 20.071 -1.975 1.00 24.16 C ATOM 2397 CG ASP B 39 6.673 20.910 -3.181 1.00 31.06 C ATOM 2398 OD1 ASP B 39 6.307 22.090 -3.003 1.00 34.22 O ATOM 2399 OD2 ASP B 39 6.751 20.393 -4.316 1.00 35.55 O ATOM 0 H ASP B 39 5.667 21.047 -0.128 1.00 11.20 H new ATOM 0 HA ASP B 39 5.109 19.130 -2.174 1.00 14.96 H new ATOM 0 HB2 ASP B 39 7.485 20.706 -1.217 1.00 24.16 H new ATOM 0 HB3 ASP B 39 7.772 19.328 -2.260 1.00 24.16 H new ATOM 2404 N GLN B 40 6.649 18.165 0.550 1.00 11.60 N ATOM 2405 CA GLN B 40 7.099 16.998 1.296 1.00 10.76 C ATOM 2406 C GLN B 40 5.917 16.282 1.929 1.00 8.01 C ATOM 2407 O GLN B 40 6.063 15.204 2.507 1.00 8.96 O ATOM 2408 CB GLN B 40 8.108 17.399 2.371 1.00 11.14 C ATOM 2409 CG GLN B 40 9.523 16.944 2.062 1.00 14.85 C ATOM 2410 CD GLN B 40 10.492 17.226 3.193 1.00 16.11 C ATOM 2411 OE1 GLN B 40 10.351 18.212 3.920 1.00 20.52 O ATOM 2412 NE2 GLN B 40 11.475 16.357 3.360 1.00 18.16 N ATOM 0 H GLN B 40 6.668 19.038 1.077 1.00 11.60 H new ATOM 0 HA GLN B 40 7.588 16.318 0.599 1.00 10.76 H new ATOM 0 HB2 GLN B 40 8.098 18.483 2.483 1.00 11.14 H new ATOM 0 HB3 GLN B 40 7.798 16.977 3.327 1.00 11.14 H new ATOM 0 HG2 GLN B 40 9.518 15.874 1.852 1.00 14.85 H new ATOM 0 HG3 GLN B 40 9.871 17.444 1.158 1.00 14.85 H new ATOM 0 HE21 GLN B 40 11.557 15.554 2.737 1.00 18.16 H new ATOM 0 HE22 GLN B 40 12.151 16.490 4.112 1.00 18.16 H new ATOM 2421 N GLN B 41 4.746 16.889 1.807 1.00 6.52 N ATOM 2422 CA GLN B 41 3.525 16.326 2.359 1.00 3.87 C ATOM 2423 C GLN B 41 2.923 15.300 1.409 1.00 4.79 C ATOM 2424 O GLN B 41 2.270 15.656 0.426 1.00 6.34 O ATOM 2425 CB GLN B 41 2.496 17.422 2.623 1.00 4.20 C ATOM 2426 CG GLN B 41 2.864 18.371 3.749 1.00 3.20 C ATOM 2427 CD GLN B 41 1.692 19.244 4.153 1.00 4.89 C ATOM 2428 OE1 GLN B 41 0.545 18.813 4.100 1.00 5.21 O ATOM 2429 NE2 GLN B 41 1.965 20.476 4.543 1.00 7.13 N ATOM 0 H GLN B 41 4.616 17.779 1.326 1.00 6.52 H new ATOM 0 HA GLN B 41 3.785 15.838 3.299 1.00 3.87 H new ATOM 0 HB2 GLN B 41 2.356 17.999 1.709 1.00 4.20 H new ATOM 0 HB3 GLN B 41 1.539 16.956 2.856 1.00 4.20 H new ATOM 0 HG2 GLN B 41 3.205 17.798 4.611 1.00 3.20 H new ATOM 0 HG3 GLN B 41 3.696 19.001 3.436 1.00 3.20 H new ATOM 0 HE21 GLN B 41 2.932 20.799 4.574 1.00 7.13 H new ATOM 0 HE22 GLN B 41 1.209 21.105 4.813 1.00 7.13 H new ATOM 2438 N ARG B 42 3.153 14.033 1.693 1.00 5.73 N ATOM 2439 CA ARG B 42 2.611 12.965 0.873 1.00 6.97 C ATOM 2440 C ARG B 42 1.339 12.434 1.520 1.00 7.15 C ATOM 2441 O ARG B 42 1.392 11.774 2.556 1.00 7.33 O ATOM 2442 CB ARG B 42 3.633 11.840 0.709 1.00 13.23 C ATOM 2443 CG ARG B 42 5.009 12.333 0.293 1.00 21.27 C ATOM 2444 CD ARG B 42 6.101 11.378 0.743 1.00 26.14 C ATOM 2445 NE ARG B 42 6.640 10.595 -0.366 1.00 32.26 N ATOM 2446 CZ ARG B 42 7.518 9.605 -0.221 1.00 34.32 C ATOM 2447 NH1 ARG B 42 7.983 9.290 0.984 1.00 35.30 N ATOM 2448 NH2 ARG B 42 7.940 8.932 -1.281 1.00 36.39 N ATOM 0 H ARG B 42 3.712 13.717 2.486 1.00 5.73 H new ATOM 0 HA ARG B 42 2.379 13.356 -0.117 1.00 6.97 H new ATOM 0 HB2 ARG B 42 3.719 11.297 1.650 1.00 13.23 H new ATOM 0 HB3 ARG B 42 3.268 11.133 -0.036 1.00 13.23 H new ATOM 0 HG2 ARG B 42 5.045 12.444 -0.791 1.00 21.27 H new ATOM 0 HG3 ARG B 42 5.188 13.320 0.720 1.00 21.27 H new ATOM 0 HD2 ARG B 42 6.906 11.944 1.211 1.00 26.14 H new ATOM 0 HD3 ARG B 42 5.702 10.704 1.501 1.00 26.14 H new ATOM 0 HE ARG B 42 6.324 10.821 -1.309 1.00 32.26 H new ATOM 0 HH11 ARG B 42 7.667 9.808 1.804 1.00 35.30 H new ATOM 0 HH12 ARG B 42 8.656 8.530 1.089 1.00 35.30 H new ATOM 0 HH21 ARG B 42 7.592 9.172 -2.209 1.00 36.39 H new ATOM 0 HH22 ARG B 42 8.613 8.174 -1.169 1.00 36.39 H new ATOM 2462 N LEU B 43 0.203 12.759 0.923 1.00 4.65 N ATOM 2463 CA LEU B 43 -1.086 12.325 1.442 1.00 3.51 C ATOM 2464 C LEU B 43 -1.561 11.068 0.730 1.00 5.56 C ATOM 2465 O LEU B 43 -1.694 11.049 -0.494 1.00 4.19 O ATOM 2466 CB LEU B 43 -2.125 13.436 1.288 1.00 3.74 C ATOM 2467 CG LEU B 43 -2.028 14.572 2.310 1.00 6.32 C ATOM 2468 CD1 LEU B 43 -3.000 15.686 1.957 1.00 9.55 C ATOM 2469 CD2 LEU B 43 -2.305 14.053 3.716 1.00 6.41 C ATOM 0 H LEU B 43 0.147 13.324 0.076 1.00 4.65 H new ATOM 0 HA LEU B 43 -0.964 12.098 2.501 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -2.033 13.861 0.288 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -3.119 12.993 1.356 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.015 14.972 2.284 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -2.919 16.486 2.693 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -2.762 16.077 0.968 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -4.017 15.295 1.957 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -2.231 14.875 4.428 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -3.308 13.627 3.756 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -1.574 13.285 3.971 1.00 6.41 H new ATOM 2481 N ILE B 44 -1.801 10.019 1.499 1.00 4.58 N ATOM 2482 CA ILE B 44 -2.257 8.754 0.948 1.00 5.55 C ATOM 2483 C ILE B 44 -3.596 8.362 1.557 1.00 5.46 C ATOM 2484 O ILE B 44 -3.828 8.560 2.756 1.00 6.04 O ATOM 2485 CB ILE B 44 -1.234 7.618 1.194 1.00 6.80 C ATOM 2486 CG1 ILE B 44 0.176 8.071 0.813 1.00 10.31 C ATOM 2487 CG2 ILE B 44 -1.612 6.369 0.407 1.00 7.39 C ATOM 2488 CD1 ILE B 44 0.979 8.601 1.978 1.00 13.90 C ATOM 0 H ILE B 44 -1.687 10.019 2.513 1.00 4.58 H new ATOM 0 HA ILE B 44 -2.366 8.892 -0.128 1.00 5.55 H new ATOM 0 HB ILE B 44 -1.249 7.376 2.257 1.00 6.80 H new ATOM 0 HG12 ILE B 44 0.710 7.232 0.367 1.00 10.31 H new ATOM 0 HG13 ILE B 44 0.105 8.846 0.049 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -0.879 5.585 0.595 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -2.598 6.027 0.720 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -1.629 6.601 -0.658 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.967 8.903 1.631 1.00 13.90 H new ATOM 0 HD12 ILE B 44 0.468 9.461 2.411 1.00 13.90 H new ATOM 0 HD13 ILE B 44 1.082 7.822 2.733 1.00 13.90 H new ATOM 2500 N PHE B 45 -4.480 7.837 0.724 1.00 6.75 N ATOM 2501 CA PHE B 45 -5.795 7.410 1.164 1.00 4.70 C ATOM 2502 C PHE B 45 -6.209 6.135 0.436 1.00 6.34 C ATOM 2503 O PHE B 45 -6.577 6.175 -0.743 1.00 5.45 O ATOM 2504 CB PHE B 45 -6.823 8.518 0.916 1.00 5.51 C ATOM 2505 CG PHE B 45 -8.167 8.261 1.538 1.00 5.98 C ATOM 2506 CD1 PHE B 45 -8.331 8.323 2.911 1.00 6.86 C ATOM 2507 CD2 PHE B 45 -9.267 7.965 0.747 1.00 5.87 C ATOM 2508 CE1 PHE B 45 -9.568 8.092 3.486 1.00 6.68 C ATOM 2509 CE2 PHE B 45 -10.504 7.733 1.316 1.00 6.64 C ATOM 2510 CZ PHE B 45 -10.655 7.795 2.687 1.00 6.84 C ATOM 0 H PHE B 45 -4.306 7.696 -0.271 1.00 6.75 H new ATOM 0 HA PHE B 45 -5.754 7.204 2.233 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.429 9.457 1.304 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -6.951 8.646 -0.159 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -7.484 8.554 3.540 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -9.155 7.915 -0.326 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -9.684 8.144 4.559 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -11.353 7.503 0.689 1.00 6.64 H new ATOM 0 HZ PHE B 45 -11.621 7.612 3.134 1.00 6.84 H new ATOM 2520 N ALA B 46 -6.108 5.007 1.140 1.00 6.53 N ATOM 2521 CA ALA B 46 -6.485 3.698 0.604 1.00 7.15 C ATOM 2522 C ALA B 46 -5.570 3.275 -0.540 1.00 9.00 C ATOM 2523 O ALA B 46 -6.040 2.909 -1.624 1.00 11.15 O ATOM 2524 CB ALA B 46 -7.947 3.693 0.161 1.00 8.99 C ATOM 0 H ALA B 46 -5.762 4.975 2.099 1.00 6.53 H new ATOM 0 HA ALA B 46 -6.367 2.969 1.405 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -8.204 2.710 -0.234 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -8.586 3.920 1.014 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -8.095 4.445 -0.614 1.00 8.99 H new ATOM 2530 N GLY B 47 -4.263 3.314 -0.289 1.00 9.35 N ATOM 2531 CA GLY B 47 -3.289 2.927 -1.296 1.00 11.68 C ATOM 2532 C GLY B 47 -3.295 3.839 -2.506 1.00 11.14 C ATOM 2533 O GLY B 47 -2.861 3.452 -3.591 1.00 13.93 O ATOM 0 H GLY B 47 -3.860 3.609 0.600 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -2.294 2.929 -0.851 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -3.492 1.905 -1.617 1.00 11.68 H new ATOM 2537 N LYS B 48 -3.797 5.049 -2.325 1.00 10.47 N ATOM 2538 CA LYS B 48 -3.861 6.017 -3.409 1.00 8.82 C ATOM 2539 C LYS B 48 -3.345 7.367 -2.942 1.00 7.68 C ATOM 2540 O LYS B 48 -3.846 7.926 -1.965 1.00 6.47 O ATOM 2541 CB LYS B 48 -5.299 6.164 -3.918 1.00 9.74 C ATOM 2542 CG LYS B 48 -5.860 4.893 -4.534 1.00 14.14 C ATOM 2543 CD LYS B 48 -7.361 4.995 -4.767 1.00 16.32 C ATOM 2544 CE LYS B 48 -8.120 5.172 -3.461 1.00 20.04 C ATOM 2545 NZ LYS B 48 -9.552 4.796 -3.595 1.00 23.92 N ATOM 0 H LYS B 48 -4.167 5.386 -1.436 1.00 10.47 H new ATOM 0 HA LYS B 48 -3.234 5.656 -4.224 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -5.939 6.470 -3.090 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -5.333 6.963 -4.659 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -5.357 4.695 -5.481 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -5.650 4.048 -3.879 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -7.571 5.837 -5.427 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -7.713 4.097 -5.274 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -7.656 4.562 -2.686 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -8.046 6.210 -3.136 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -10.033 4.931 -2.683 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -10.002 5.395 -4.316 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -9.624 3.798 -3.880 1.00 23.92 H new ATOM 2559 N GLN B 49 -2.335 7.876 -3.625 1.00 8.89 N ATOM 2560 CA GLN B 49 -1.770 9.167 -3.277 1.00 7.18 C ATOM 2561 C GLN B 49 -2.671 10.276 -3.788 1.00 8.23 C ATOM 2562 O GLN B 49 -3.026 10.305 -4.967 1.00 9.70 O ATOM 2563 CB GLN B 49 -0.365 9.324 -3.856 1.00 11.67 C ATOM 2564 CG GLN B 49 0.735 9.287 -2.804 1.00 15.82 C ATOM 2565 CD GLN B 49 2.026 9.937 -3.276 1.00 20.21 C ATOM 2566 OE1 GLN B 49 1.914 10.980 -4.088 1.00 23.23 O flip ATOM 2567 NE2 GLN B 49 3.118 9.513 -2.904 1.00 20.67 N flip ATOM 0 H GLN B 49 -1.891 7.417 -4.420 1.00 8.89 H new ATOM 0 HA GLN B 49 -1.698 9.230 -2.191 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -0.189 8.530 -4.582 1.00 11.67 H new ATOM 0 HB3 GLN B 49 -0.307 10.269 -4.397 1.00 11.67 H new ATOM 0 HG2 GLN B 49 0.387 9.793 -1.904 1.00 15.82 H new ATOM 0 HG3 GLN B 49 0.935 8.251 -2.530 1.00 15.82 H new ATOM 0 HE21 GLN B 49 3.167 8.708 -2.279 1.00 20.67 H new ATOM 0 HE22 GLN B 49 3.976 9.966 -3.220 1.00 20.67 H new ATOM 2576 N LEU B 50 -3.045 11.177 -2.900 1.00 6.51 N ATOM 2577 CA LEU B 50 -3.914 12.282 -3.260 1.00 7.41 C ATOM 2578 C LEU B 50 -3.142 13.315 -4.072 1.00 8.27 C ATOM 2579 O LEU B 50 -2.128 13.852 -3.614 1.00 8.34 O ATOM 2580 CB LEU B 50 -4.506 12.928 -2.005 1.00 7.13 C ATOM 2581 CG LEU B 50 -5.116 11.956 -0.987 1.00 7.53 C ATOM 2582 CD1 LEU B 50 -5.679 12.712 0.204 1.00 8.14 C ATOM 2583 CD2 LEU B 50 -6.201 11.112 -1.631 1.00 9.11 C ATOM 0 H LEU B 50 -2.760 11.166 -1.921 1.00 6.51 H new ATOM 0 HA LEU B 50 -4.732 11.897 -3.869 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -3.723 13.502 -1.509 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -5.276 13.637 -2.311 1.00 7.13 H new ATOM 0 HG LEU B 50 -4.324 11.294 -0.637 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -6.107 12.005 0.915 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -4.881 13.275 0.688 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -6.454 13.400 -0.135 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -6.619 10.430 -0.890 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -6.989 11.761 -2.012 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -5.775 10.537 -2.453 1.00 9.11 H new ATOM 2595 N GLU B 51 -3.610 13.575 -5.280 1.00 9.43 N ATOM 2596 CA GLU B 51 -2.963 14.539 -6.157 1.00 11.90 C ATOM 2597 C GLU B 51 -3.300 15.963 -5.729 1.00 11.49 C ATOM 2598 O GLU B 51 -4.416 16.241 -5.295 1.00 9.88 O ATOM 2599 CB GLU B 51 -3.378 14.308 -7.609 1.00 16.56 C ATOM 2600 CG GLU B 51 -3.103 12.896 -8.095 1.00 26.06 C ATOM 2601 CD GLU B 51 -3.016 12.802 -9.601 1.00 29.86 C ATOM 2602 OE1 GLU B 51 -4.071 12.855 -10.266 1.00 32.13 O ATOM 2603 OE2 GLU B 51 -1.892 12.671 -10.131 1.00 33.44 O ATOM 0 H GLU B 51 -4.438 13.132 -5.678 1.00 9.43 H new ATOM 0 HA GLU B 51 -1.885 14.401 -6.080 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -4.442 14.520 -7.714 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -2.848 15.014 -8.248 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -2.169 12.542 -7.659 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -3.892 12.234 -7.739 1.00 26.06 H new ATOM 2610 N ASP B 52 -2.331 16.856 -5.873 1.00 12.71 N ATOM 2611 CA ASP B 52 -2.489 18.257 -5.485 1.00 16.56 C ATOM 2612 C ASP B 52 -3.638 18.921 -6.235 1.00 15.83 C ATOM 2613 O ASP B 52 -4.348 19.766 -5.684 1.00 17.21 O ATOM 2614 CB ASP B 52 -1.194 19.033 -5.751 1.00 21.05 C ATOM 2615 CG ASP B 52 -0.027 18.546 -4.918 1.00 25.12 C ATOM 2616 OD1 ASP B 52 0.090 18.961 -3.746 1.00 25.82 O ATOM 2617 OD2 ASP B 52 0.789 17.751 -5.433 1.00 28.37 O ATOM 0 H ASP B 52 -1.414 16.634 -6.261 1.00 12.71 H new ATOM 0 HA ASP B 52 -2.717 18.276 -4.419 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -0.938 18.950 -6.807 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -1.363 20.090 -5.546 1.00 21.05 H new ATOM 2622 N GLY B 53 -3.826 18.528 -7.488 1.00 15.00 N ATOM 2623 CA GLY B 53 -4.879 19.108 -8.303 1.00 11.77 C ATOM 2624 C GLY B 53 -6.190 18.349 -8.227 1.00 11.10 C ATOM 2625 O GLY B 53 -6.914 18.255 -9.219 1.00 11.25 O ATOM 0 H GLY B 53 -3.267 17.816 -7.957 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -5.046 20.138 -7.988 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -4.547 19.142 -9.341 1.00 11.77 H new ATOM 2629 N ARG B 54 -6.502 17.803 -7.061 1.00 8.53 N ATOM 2630 CA ARG B 54 -7.743 17.063 -6.876 1.00 9.05 C ATOM 2631 C ARG B 54 -8.453 17.510 -5.603 1.00 8.96 C ATOM 2632 O ARG B 54 -7.882 18.236 -4.787 1.00 11.60 O ATOM 2633 CB ARG B 54 -7.476 15.555 -6.818 1.00 7.97 C ATOM 2634 CG ARG B 54 -6.974 14.959 -8.125 1.00 9.62 C ATOM 2635 CD ARG B 54 -8.003 15.092 -9.233 1.00 12.20 C ATOM 2636 NE ARG B 54 -7.531 14.511 -10.489 1.00 18.23 N ATOM 2637 CZ ARG B 54 -7.070 15.223 -11.515 1.00 22.08 C ATOM 2638 NH1 ARG B 54 -6.968 16.547 -11.429 1.00 25.50 N ATOM 2639 NH2 ARG B 54 -6.695 14.606 -12.628 1.00 23.38 N ATOM 0 H ARG B 54 -5.914 17.858 -6.229 1.00 8.53 H new ATOM 0 HA ARG B 54 -8.386 17.273 -7.731 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -6.743 15.357 -6.036 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -8.395 15.046 -6.529 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -6.052 15.458 -8.423 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -6.733 13.906 -7.976 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -8.928 14.600 -8.931 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -8.238 16.145 -9.386 1.00 12.20 H new ATOM 0 HE ARG B 54 -7.557 13.496 -10.585 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -7.244 17.025 -10.571 1.00 25.50 H new ATOM 0 HH12 ARG B 54 -6.614 17.084 -12.221 1.00 25.50 H new ATOM 0 HH21 ARG B 54 -6.761 13.590 -12.695 1.00 23.38 H new ATOM 0 HH22 ARG B 54 -6.341 15.147 -13.417 1.00 23.38 H new ATOM 2653 N THR B 55 -9.697 17.081 -5.442 1.00 9.05 N ATOM 2654 CA THR B 55 -10.480 17.429 -4.267 1.00 9.03 C ATOM 2655 C THR B 55 -10.792 16.185 -3.447 1.00 8.15 C ATOM 2656 O THR B 55 -10.532 15.061 -3.883 1.00 5.91 O ATOM 2657 CB THR B 55 -11.800 18.134 -4.650 1.00 11.15 C ATOM 2658 OG1 THR B 55 -12.522 17.360 -5.619 1.00 11.95 O ATOM 2659 CG2 THR B 55 -11.529 19.520 -5.207 1.00 11.71 C ATOM 0 H THR B 55 -10.186 16.489 -6.114 1.00 9.05 H new ATOM 0 HA THR B 55 -9.881 18.119 -3.672 1.00 9.03 H new ATOM 0 HB THR B 55 -12.403 18.228 -3.747 1.00 11.15 H new ATOM 0 HG1 THR B 55 -11.954 17.204 -6.402 1.00 11.95 H new ATOM 0 HG21 THR B 55 -12.473 19.997 -5.470 1.00 11.71 H new ATOM 0 HG22 THR B 55 -11.016 20.120 -4.456 1.00 11.71 H new ATOM 0 HG23 THR B 55 -10.904 19.439 -6.096 1.00 11.71 H new ATOM 2667 N LEU B 56 -11.354 16.388 -2.263 1.00 6.91 N ATOM 2668 CA LEU B 56 -11.698 15.281 -1.381 1.00 8.29 C ATOM 2669 C LEU B 56 -12.838 14.450 -1.963 1.00 8.05 C ATOM 2670 O LEU B 56 -12.853 13.223 -1.837 1.00 10.17 O ATOM 2671 CB LEU B 56 -12.090 15.806 0.003 1.00 6.60 C ATOM 2672 CG LEU B 56 -11.043 16.686 0.692 1.00 7.73 C ATOM 2673 CD1 LEU B 56 -11.525 17.109 2.069 1.00 9.85 C ATOM 2674 CD2 LEU B 56 -9.710 15.960 0.798 1.00 8.64 C ATOM 0 H LEU B 56 -11.582 17.310 -1.891 1.00 6.91 H new ATOM 0 HA LEU B 56 -10.820 14.642 -1.286 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -13.014 16.376 -0.092 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -12.306 14.954 0.648 1.00 6.60 H new ATOM 0 HG LEU B 56 -10.899 17.579 0.084 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -10.768 17.734 2.543 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -12.453 17.673 1.972 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -11.701 16.224 2.681 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -8.983 16.605 1.291 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -9.838 15.047 1.380 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -9.353 15.707 -0.200 1.00 8.64 H new ATOM 2686 N SER B 57 -13.779 15.120 -2.618 1.00 8.92 N ATOM 2687 CA SER B 57 -14.926 14.449 -3.215 1.00 9.00 C ATOM 2688 C SER B 57 -14.518 13.572 -4.401 1.00 9.44 C ATOM 2689 O SER B 57 -15.255 12.668 -4.794 1.00 10.91 O ATOM 2690 CB SER B 57 -15.962 15.486 -3.653 1.00 10.32 C ATOM 2691 OG SER B 57 -15.334 16.667 -4.126 1.00 13.59 O ATOM 0 H SER B 57 -13.769 16.131 -2.749 1.00 8.92 H new ATOM 0 HA SER B 57 -15.362 13.794 -2.461 1.00 9.00 H new ATOM 0 HB2 SER B 57 -16.592 15.066 -4.437 1.00 10.32 H new ATOM 0 HB3 SER B 57 -16.615 15.728 -2.815 1.00 10.32 H new ATOM 0 HG SER B 57 -15.098 17.239 -3.366 1.00 13.59 H new ATOM 2697 N ASP B 58 -13.337 13.829 -4.961 1.00 9.11 N ATOM 2698 CA ASP B 58 -12.847 13.051 -6.099 1.00 7.91 C ATOM 2699 C ASP B 58 -12.526 11.627 -5.666 1.00 9.12 C ATOM 2700 O ASP B 58 -12.879 10.660 -6.341 1.00 8.61 O ATOM 2701 CB ASP B 58 -11.594 13.691 -6.709 1.00 8.41 C ATOM 2702 CG ASP B 58 -11.897 14.946 -7.504 1.00 11.50 C ATOM 2703 OD1 ASP B 58 -12.873 14.947 -8.282 1.00 10.05 O ATOM 2704 OD2 ASP B 58 -11.157 15.940 -7.354 1.00 11.70 O ATOM 0 H ASP B 58 -12.704 14.565 -4.648 1.00 9.11 H new ATOM 0 HA ASP B 58 -13.634 13.035 -6.853 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -10.892 13.933 -5.911 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -11.102 12.966 -7.358 1.00 8.41 H new ATOM 2709 N TYR B 59 -11.876 11.510 -4.516 1.00 7.97 N ATOM 2710 CA TYR B 59 -11.491 10.213 -3.974 1.00 8.45 C ATOM 2711 C TYR B 59 -12.597 9.640 -3.093 1.00 10.98 C ATOM 2712 O TYR B 59 -12.413 8.609 -2.445 1.00 12.95 O ATOM 2713 CB TYR B 59 -10.198 10.340 -3.166 1.00 7.94 C ATOM 2714 CG TYR B 59 -9.000 10.751 -3.993 1.00 6.91 C ATOM 2715 CD1 TYR B 59 -8.729 12.092 -4.238 1.00 6.98 C ATOM 2716 CD2 TYR B 59 -8.135 9.801 -4.522 1.00 4.59 C ATOM 2717 CE1 TYR B 59 -7.635 12.472 -4.987 1.00 6.52 C ATOM 2718 CE2 TYR B 59 -7.038 10.176 -5.272 1.00 5.39 C ATOM 2719 CZ TYR B 59 -6.793 11.512 -5.500 1.00 6.76 C ATOM 2720 OH TYR B 59 -5.702 11.890 -6.243 1.00 7.63 O ATOM 0 H TYR B 59 -11.602 12.304 -3.937 1.00 7.97 H new ATOM 0 HA TYR B 59 -11.327 9.533 -4.810 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -10.347 11.071 -2.371 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -9.986 9.385 -2.685 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -9.386 12.849 -3.835 1.00 6.98 H new ATOM 0 HD2 TYR B 59 -8.324 8.753 -4.344 1.00 4.59 H new ATOM 0 HE1 TYR B 59 -7.440 13.518 -5.170 1.00 6.52 H new ATOM 0 HE2 TYR B 59 -6.376 9.426 -5.678 1.00 5.39 H new ATOM 0 HH TYR B 59 -5.350 11.113 -6.726 1.00 7.63 H new ATOM 2730 N ASN B 60 -13.740 10.324 -3.080 1.00 12.38 N ATOM 2731 CA ASN B 60 -14.903 9.908 -2.290 1.00 13.94 C ATOM 2732 C ASN B 60 -14.598 9.942 -0.797 1.00 14.16 C ATOM 2733 O ASN B 60 -15.087 9.107 -0.033 1.00 14.26 O ATOM 2734 CB ASN B 60 -15.375 8.507 -2.705 1.00 19.23 C ATOM 2735 CG ASN B 60 -16.193 8.523 -3.981 1.00 22.65 C ATOM 2736 OD1 ASN B 60 -16.925 9.477 -4.255 1.00 25.45 O ATOM 2737 ND2 ASN B 60 -16.078 7.467 -4.774 1.00 24.09 N ATOM 0 H ASN B 60 -13.888 11.180 -3.614 1.00 12.38 H new ATOM 0 HA ASN B 60 -15.706 10.618 -2.489 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -14.508 7.861 -2.842 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -15.971 8.075 -1.901 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -16.606 7.424 -5.646 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -15.462 6.697 -4.512 1.00 24.09 H new ATOM 2744 N ILE B 61 -13.800 10.919 -0.384 1.00 11.08 N ATOM 2745 CA ILE B 61 -13.441 11.069 1.018 1.00 11.78 C ATOM 2746 C ILE B 61 -14.637 11.595 1.805 1.00 13.74 C ATOM 2747 O ILE B 61 -15.121 12.704 1.562 1.00 14.60 O ATOM 2748 CB ILE B 61 -12.227 12.009 1.198 1.00 11.80 C ATOM 2749 CG1 ILE B 61 -11.007 11.431 0.471 1.00 11.56 C ATOM 2750 CG2 ILE B 61 -11.916 12.222 2.675 1.00 13.29 C ATOM 2751 CD1 ILE B 61 -9.774 12.309 0.532 1.00 11.42 C ATOM 0 H ILE B 61 -13.390 11.619 -1.002 1.00 11.08 H new ATOM 0 HA ILE B 61 -13.158 10.088 1.400 1.00 11.78 H new ATOM 0 HB ILE B 61 -12.473 12.978 0.764 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -10.768 10.459 0.902 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -11.267 11.262 -0.574 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -11.058 12.887 2.774 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -12.780 12.668 3.168 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -11.688 11.263 3.141 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -8.957 11.827 -0.006 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -9.991 13.274 0.074 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -9.485 12.458 1.572 1.00 11.42 H new ATOM 2763 N GLN B 62 -15.118 10.783 2.731 1.00 13.97 N ATOM 2764 CA GLN B 62 -16.268 11.140 3.546 1.00 15.52 C ATOM 2765 C GLN B 62 -15.836 11.758 4.870 1.00 13.94 C ATOM 2766 O GLN B 62 -14.655 12.042 5.084 1.00 12.15 O ATOM 2767 CB GLN B 62 -17.126 9.902 3.798 1.00 19.53 C ATOM 2768 CG GLN B 62 -17.517 9.170 2.523 1.00 26.38 C ATOM 2769 CD GLN B 62 -18.246 7.870 2.795 1.00 30.61 C ATOM 2770 OE1 GLN B 62 -18.975 7.743 3.779 1.00 33.23 O ATOM 2771 NE2 GLN B 62 -18.049 6.891 1.927 1.00 32.71 N ATOM 0 H GLN B 62 -14.726 9.864 2.939 1.00 13.97 H new ATOM 0 HA GLN B 62 -16.854 11.883 3.005 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -16.582 9.218 4.449 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -18.030 10.197 4.331 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -18.151 9.817 1.917 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -16.621 8.964 1.938 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -17.437 7.037 1.124 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -18.509 5.991 2.061 1.00 32.71 H new ATOM 2780 N LYS B 63 -16.797 11.958 5.755 1.00 11.73 N ATOM 2781 CA LYS B 63 -16.529 12.538 7.061 1.00 11.97 C ATOM 2782 C LYS B 63 -15.834 11.524 7.966 1.00 10.41 C ATOM 2783 O LYS B 63 -16.091 10.321 7.869 1.00 9.59 O ATOM 2784 CB LYS B 63 -17.835 13.025 7.702 1.00 13.73 C ATOM 2785 CG LYS B 63 -18.982 12.031 7.596 1.00 16.98 C ATOM 2786 CD LYS B 63 -20.316 12.662 7.971 1.00 20.19 C ATOM 2787 CE LYS B 63 -21.464 11.680 7.781 1.00 23.42 C ATOM 2788 NZ LYS B 63 -22.766 12.235 8.246 1.00 25.97 N ATOM 0 H LYS B 63 -17.777 11.726 5.592 1.00 11.73 H new ATOM 0 HA LYS B 63 -15.864 13.392 6.932 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -17.652 13.243 8.754 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -18.133 13.961 7.229 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -19.036 11.646 6.578 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -18.787 11.180 8.249 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -20.285 12.993 9.009 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -20.487 13.548 7.359 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -21.541 11.414 6.727 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -21.248 10.762 8.327 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -23.517 11.531 8.097 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -22.704 12.465 9.258 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -22.988 13.097 7.708 1.00 25.97 H new ATOM 2802 N GLU B 64 -14.940 12.022 8.824 1.00 10.04 N ATOM 2803 CA GLU B 64 -14.186 11.187 9.766 1.00 10.94 C ATOM 2804 C GLU B 64 -13.246 10.225 9.042 1.00 9.74 C ATOM 2805 O GLU B 64 -12.927 9.150 9.556 1.00 9.42 O ATOM 2806 CB GLU B 64 -15.125 10.391 10.671 1.00 18.31 C ATOM 2807 CG GLU B 64 -15.969 11.245 11.603 1.00 24.16 C ATOM 2808 CD GLU B 64 -16.903 10.403 12.445 1.00 29.00 C ATOM 2809 OE1 GLU B 64 -17.169 9.244 12.062 1.00 31.72 O ATOM 2810 OE2 GLU B 64 -17.373 10.886 13.496 1.00 32.61 O ATOM 0 H GLU B 64 -14.718 13.016 8.886 1.00 10.04 H new ATOM 0 HA GLU B 64 -13.588 11.865 10.376 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -15.788 9.790 10.048 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -14.533 9.698 11.269 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -15.316 11.826 12.255 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -16.550 11.957 11.017 1.00 24.16 H new ATOM 2817 N SER B 65 -12.796 10.609 7.858 1.00 6.85 N ATOM 2818 CA SER B 65 -11.894 9.765 7.090 1.00 6.90 C ATOM 2819 C SER B 65 -10.474 9.856 7.637 1.00 4.72 C ATOM 2820 O SER B 65 -10.022 10.931 8.045 1.00 3.91 O ATOM 2821 CB SER B 65 -11.918 10.151 5.611 1.00 7.28 C ATOM 2822 OG SER B 65 -13.167 9.835 5.026 1.00 10.56 O ATOM 0 H SER B 65 -13.038 11.493 7.410 1.00 6.85 H new ATOM 0 HA SER B 65 -12.236 8.734 7.183 1.00 6.90 H new ATOM 0 HB2 SER B 65 -11.723 11.218 5.507 1.00 7.28 H new ATOM 0 HB3 SER B 65 -11.121 9.628 5.082 1.00 7.28 H new ATOM 0 HG SER B 65 -13.599 10.657 4.712 1.00 10.56 H new ATOM 2828 N THR B 66 -9.788 8.724 7.662 1.00 4.48 N ATOM 2829 CA THR B 66 -8.421 8.669 8.146 1.00 3.80 C ATOM 2830 C THR B 66 -7.432 8.810 6.993 1.00 4.60 C ATOM 2831 O THR B 66 -7.295 7.910 6.167 1.00 5.33 O ATOM 2832 CB THR B 66 -8.158 7.346 8.887 1.00 2.85 C ATOM 2833 OG1 THR B 66 -9.331 6.964 9.620 1.00 2.15 O ATOM 2834 CG2 THR B 66 -6.979 7.480 9.841 1.00 3.40 C ATOM 0 H THR B 66 -10.160 7.827 7.350 1.00 4.48 H new ATOM 0 HA THR B 66 -8.281 9.499 8.838 1.00 3.80 H new ATOM 0 HB THR B 66 -7.918 6.580 8.150 1.00 2.85 H new ATOM 0 HG1 THR B 66 -9.163 6.121 10.090 1.00 2.15 H new ATOM 0 HG21 THR B 66 -6.815 6.531 10.352 1.00 3.40 H new ATOM 0 HG22 THR B 66 -6.085 7.749 9.279 1.00 3.40 H new ATOM 0 HG23 THR B 66 -7.192 8.256 10.576 1.00 3.40 H new ATOM 2842 N LEU B 67 -6.759 9.946 6.939 1.00 4.17 N ATOM 2843 CA LEU B 67 -5.779 10.212 5.899 1.00 3.85 C ATOM 2844 C LEU B 67 -4.389 9.901 6.428 1.00 3.80 C ATOM 2845 O LEU B 67 -4.180 9.867 7.639 1.00 5.54 O ATOM 2846 CB LEU B 67 -5.851 11.677 5.450 1.00 7.18 C ATOM 2847 CG LEU B 67 -6.883 11.993 4.361 1.00 9.67 C ATOM 2848 CD1 LEU B 67 -8.305 11.840 4.889 1.00 8.12 C ATOM 2849 CD2 LEU B 67 -6.664 13.400 3.828 1.00 11.66 C ATOM 0 H LEU B 67 -6.875 10.706 7.610 1.00 4.17 H new ATOM 0 HA LEU B 67 -5.995 9.579 5.039 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -6.071 12.294 6.322 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -4.867 11.975 5.088 1.00 7.18 H new ATOM 0 HG LEU B 67 -6.750 11.280 3.548 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -9.015 12.071 4.095 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -8.459 10.815 5.227 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -8.459 12.525 5.723 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -7.402 13.615 3.055 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -6.771 14.118 4.641 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -5.662 13.477 3.405 1.00 11.66 H new ATOM 2861 N HIS B 68 -3.447 9.654 5.537 1.00 2.94 N ATOM 2862 CA HIS B 68 -2.089 9.351 5.953 1.00 4.17 C ATOM 2863 C HIS B 68 -1.103 10.350 5.375 1.00 5.32 C ATOM 2864 O HIS B 68 -1.068 10.569 4.165 1.00 7.70 O ATOM 2865 CB HIS B 68 -1.714 7.923 5.559 1.00 5.57 C ATOM 2866 CG HIS B 68 -2.288 6.902 6.488 1.00 9.95 C ATOM 2867 ND1 HIS B 68 -3.248 5.991 6.112 1.00 13.74 N ATOM 2868 CD2 HIS B 68 -2.048 6.674 7.798 1.00 12.79 C ATOM 2869 CE1 HIS B 68 -3.577 5.251 7.154 1.00 14.75 C ATOM 2870 NE2 HIS B 68 -2.861 5.642 8.191 1.00 16.30 N ATOM 0 H HIS B 68 -3.594 9.657 4.528 1.00 2.94 H new ATOM 0 HA HIS B 68 -2.042 9.431 7.039 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -2.065 7.725 4.546 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -0.628 7.827 5.545 1.00 5.57 H new ATOM 0 HD1 HIS B 68 -3.643 5.902 5.176 1.00 13.74 H new ATOM 0 HD2 HIS B 68 -1.345 7.207 8.421 1.00 12.79 H new ATOM 0 HE1 HIS B 68 -4.310 4.458 7.157 1.00 14.75 H new ATOM 0 HE2 HIS B 68 -2.905 5.243 9.129 1.00 16.30 H new ATOM 2879 N LEU B 69 -0.318 10.962 6.251 1.00 5.29 N ATOM 2880 CA LEU B 69 0.669 11.948 5.840 1.00 3.97 C ATOM 2881 C LEU B 69 2.081 11.407 6.029 1.00 5.07 C ATOM 2882 O LEU B 69 2.509 11.120 7.150 1.00 4.34 O ATOM 2883 CB LEU B 69 0.493 13.241 6.640 1.00 6.08 C ATOM 2884 CG LEU B 69 1.478 14.360 6.295 1.00 7.37 C ATOM 2885 CD1 LEU B 69 1.213 14.892 4.897 1.00 6.87 C ATOM 2886 CD2 LEU B 69 1.391 15.483 7.318 1.00 9.96 C ATOM 0 H LEU B 69 -0.347 10.791 7.256 1.00 5.29 H new ATOM 0 HA LEU B 69 0.518 12.162 4.782 1.00 3.97 H new ATOM 0 HB2 LEU B 69 -0.521 13.610 6.485 1.00 6.08 H new ATOM 0 HB3 LEU B 69 0.589 13.009 7.701 1.00 6.08 H new ATOM 0 HG LEU B 69 2.487 13.949 6.321 1.00 7.37 H new ATOM 0 HD11 LEU B 69 1.923 15.687 4.670 1.00 6.87 H new ATOM 0 HD12 LEU B 69 1.327 14.085 4.173 1.00 6.87 H new ATOM 0 HD13 LEU B 69 0.198 15.286 4.844 1.00 6.87 H new ATOM 0 HD21 LEU B 69 2.099 16.270 7.056 1.00 9.96 H new ATOM 0 HD22 LEU B 69 0.380 15.892 7.325 1.00 9.96 H new ATOM 0 HD23 LEU B 69 1.631 15.093 8.307 1.00 9.96 H new ATOM 2898 N VAL B 70 2.796 11.261 4.927 1.00 4.29 N ATOM 2899 CA VAL B 70 4.161 10.760 4.955 1.00 6.26 C ATOM 2900 C VAL B 70 5.121 11.822 4.435 1.00 9.22 C ATOM 2901 O VAL B 70 4.779 12.586 3.535 1.00 9.36 O ATOM 2902 CB VAL B 70 4.297 9.476 4.106 1.00 8.69 C ATOM 2903 CG1 VAL B 70 5.724 8.945 4.136 1.00 9.76 C ATOM 2904 CG2 VAL B 70 3.330 8.411 4.593 1.00 8.54 C ATOM 0 H VAL B 70 2.451 11.484 3.993 1.00 4.29 H new ATOM 0 HA VAL B 70 4.411 10.521 5.989 1.00 6.26 H new ATOM 0 HB VAL B 70 4.051 9.730 3.075 1.00 8.69 H new ATOM 0 HG11 VAL B 70 5.789 8.041 3.530 1.00 9.76 H new ATOM 0 HG12 VAL B 70 6.401 9.699 3.736 1.00 9.76 H new ATOM 0 HG13 VAL B 70 6.005 8.714 5.164 1.00 9.76 H new ATOM 0 HG21 VAL B 70 3.440 7.514 3.984 1.00 8.54 H new ATOM 0 HG22 VAL B 70 3.547 8.171 5.634 1.00 8.54 H new ATOM 0 HG23 VAL B 70 2.308 8.782 4.511 1.00 8.54 H new ATOM 2914 N LEU B 71 6.310 11.882 5.016 1.00 12.71 N ATOM 2915 CA LEU B 71 7.312 12.848 4.599 1.00 16.06 C ATOM 2916 C LEU B 71 8.187 12.248 3.511 1.00 18.09 C ATOM 2917 O LEU B 71 8.426 11.037 3.493 1.00 19.26 O ATOM 2918 CB LEU B 71 8.178 13.264 5.790 1.00 17.10 C ATOM 2919 CG LEU B 71 7.410 13.827 6.988 1.00 19.37 C ATOM 2920 CD1 LEU B 71 8.340 14.021 8.175 1.00 17.51 C ATOM 2921 CD2 LEU B 71 6.734 15.138 6.618 1.00 19.57 C ATOM 0 H LEU B 71 6.604 11.272 5.779 1.00 12.71 H new ATOM 0 HA LEU B 71 6.806 13.730 4.208 1.00 16.06 H new ATOM 0 HB2 LEU B 71 8.753 12.399 6.121 1.00 17.10 H new ATOM 0 HB3 LEU B 71 8.895 14.013 5.454 1.00 17.10 H new ATOM 0 HG LEU B 71 6.639 13.110 7.271 1.00 19.37 H new ATOM 0 HD11 LEU B 71 7.776 14.422 9.017 1.00 17.51 H new ATOM 0 HD12 LEU B 71 8.778 13.063 8.455 1.00 17.51 H new ATOM 0 HD13 LEU B 71 9.134 14.718 7.905 1.00 17.51 H new ATOM 0 HD21 LEU B 71 6.192 15.524 7.481 1.00 19.57 H new ATOM 0 HD22 LEU B 71 7.488 15.862 6.309 1.00 19.57 H new ATOM 0 HD23 LEU B 71 6.036 14.969 5.798 1.00 19.57 H new ATOM 2933 N ARG B 72 8.648 13.079 2.591 1.00 21.47 N ATOM 2934 CA ARG B 72 9.502 12.610 1.512 1.00 25.83 C ATOM 2935 C ARG B 72 10.964 12.815 1.873 1.00 27.74 C ATOM 2936 O ARG B 72 11.456 13.943 1.901 1.00 30.65 O ATOM 2937 CB ARG B 72 9.178 13.329 0.202 1.00 28.49 C ATOM 2938 CG ARG B 72 9.881 12.725 -1.003 1.00 31.79 C ATOM 2939 CD ARG B 72 9.093 12.948 -2.280 1.00 34.05 C ATOM 2940 NE ARG B 72 9.589 12.121 -3.378 1.00 35.08 N ATOM 2941 CZ ARG B 72 8.857 11.767 -4.430 1.00 34.67 C ATOM 2942 NH1 ARG B 72 7.607 12.197 -4.551 1.00 34.97 N ATOM 2943 NH2 ARG B 72 9.377 10.990 -5.368 1.00 35.02 N ATOM 0 H ARG B 72 8.446 14.079 2.569 1.00 21.47 H new ATOM 0 HA ARG B 72 9.315 11.545 1.371 1.00 25.83 H new ATOM 0 HB2 ARG B 72 8.101 13.302 0.037 1.00 28.49 H new ATOM 0 HB3 ARG B 72 9.461 14.378 0.291 1.00 28.49 H new ATOM 0 HG2 ARG B 72 10.873 13.166 -1.105 1.00 31.79 H new ATOM 0 HG3 ARG B 72 10.022 11.656 -0.844 1.00 31.79 H new ATOM 0 HD2 ARG B 72 8.042 12.722 -2.102 1.00 34.05 H new ATOM 0 HD3 ARG B 72 9.150 13.999 -2.563 1.00 34.05 H new ATOM 0 HE ARG B 72 10.555 11.796 -3.335 1.00 35.08 H new ATOM 0 HH11 ARG B 72 7.204 12.802 -3.835 1.00 34.97 H new ATOM 0 HH12 ARG B 72 7.049 11.923 -5.360 1.00 34.97 H new ATOM 0 HH21 ARG B 72 10.339 10.663 -5.284 1.00 35.02 H new ATOM 0 HH22 ARG B 72 8.815 10.719 -6.175 1.00 35.02 H new ATOM 2957 N LEU B 73 11.647 11.719 2.169 1.00 28.93 N ATOM 2958 CA LEU B 73 13.054 11.764 2.531 1.00 30.76 C ATOM 2959 C LEU B 73 13.919 12.002 1.301 1.00 32.18 C ATOM 2960 O LEU B 73 14.073 11.120 0.455 1.00 32.31 O ATOM 2961 CB LEU B 73 13.474 10.462 3.211 1.00 30.53 C ATOM 2962 CG LEU B 73 12.712 10.116 4.492 1.00 30.16 C ATOM 2963 CD1 LEU B 73 13.151 8.762 5.022 1.00 29.57 C ATOM 2964 CD2 LEU B 73 12.920 11.190 5.548 1.00 29.11 C ATOM 0 H LEU B 73 11.245 10.782 2.165 1.00 28.93 H new ATOM 0 HA LEU B 73 13.196 12.591 3.227 1.00 30.76 H new ATOM 0 HB2 LEU B 73 13.348 9.644 2.501 1.00 30.53 H new ATOM 0 HB3 LEU B 73 14.537 10.520 3.445 1.00 30.53 H new ATOM 0 HG LEU B 73 11.649 10.069 4.255 1.00 30.16 H new ATOM 0 HD11 LEU B 73 12.599 8.532 5.933 1.00 29.57 H new ATOM 0 HD12 LEU B 73 12.951 7.996 4.273 1.00 29.57 H new ATOM 0 HD13 LEU B 73 14.219 8.786 5.241 1.00 29.57 H new ATOM 0 HD21 LEU B 73 12.370 10.924 6.451 1.00 29.11 H new ATOM 0 HD22 LEU B 73 13.982 11.270 5.781 1.00 29.11 H new ATOM 0 HD23 LEU B 73 12.558 12.146 5.171 1.00 29.11 H new ATOM 2976 N ARG B 74 14.467 13.201 1.203 1.00 33.82 N ATOM 2977 CA ARG B 74 15.318 13.567 0.083 1.00 35.33 C ATOM 2978 C ARG B 74 16.776 13.277 0.406 1.00 36.22 C ATOM 2979 O ARG B 74 17.610 13.158 -0.491 1.00 36.70 O ATOM 2980 CB ARG B 74 15.139 15.047 -0.259 1.00 36.91 C ATOM 2981 CG ARG B 74 13.762 15.385 -0.804 1.00 38.62 C ATOM 2982 CD ARG B 74 13.511 14.715 -2.146 1.00 39.75 C ATOM 2983 NE ARG B 74 12.206 15.070 -2.696 1.00 41.13 N ATOM 2984 CZ ARG B 74 11.879 14.948 -3.982 1.00 41.91 C ATOM 2985 NH1 ARG B 74 12.769 14.500 -4.861 1.00 41.93 N ATOM 2986 NH2 ARG B 74 10.661 15.286 -4.389 1.00 42.75 N ATOM 0 H ARG B 74 14.337 13.943 1.891 1.00 33.82 H new ATOM 0 HA ARG B 74 15.027 12.969 -0.781 1.00 35.33 H new ATOM 0 HB2 ARG B 74 15.322 15.642 0.635 1.00 36.91 H new ATOM 0 HB3 ARG B 74 15.891 15.335 -0.993 1.00 36.91 H new ATOM 0 HG2 ARG B 74 13.000 15.069 -0.091 1.00 38.62 H new ATOM 0 HG3 ARG B 74 13.668 16.465 -0.913 1.00 38.62 H new ATOM 0 HD2 ARG B 74 14.292 15.005 -2.848 1.00 39.75 H new ATOM 0 HD3 ARG B 74 13.574 13.633 -2.029 1.00 39.75 H new ATOM 0 HE ARG B 74 11.500 15.434 -2.056 1.00 41.13 H new ATOM 0 HH11 ARG B 74 13.708 14.247 -4.553 1.00 41.93 H new ATOM 0 HH12 ARG B 74 12.513 14.409 -5.844 1.00 41.93 H new ATOM 0 HH21 ARG B 74 9.978 15.638 -3.718 1.00 42.75 H new ATOM 0 HH22 ARG B 74 10.408 15.194 -5.373 1.00 42.75 H new ATOM 3000 N GLY B 75 17.074 13.161 1.692 1.00 36.31 N ATOM 3001 CA GLY B 75 18.430 12.883 2.118 1.00 36.07 C ATOM 3002 C GLY B 75 18.480 11.800 3.175 1.00 36.16 C ATOM 3003 O GLY B 75 17.477 11.131 3.434 1.00 36.26 O ATOM 0 H GLY B 75 16.398 13.255 2.450 1.00 36.31 H new ATOM 0 HA2 GLY B 75 19.025 12.578 1.257 1.00 36.07 H new ATOM 0 HA3 GLY B 75 18.881 13.794 2.511 1.00 36.07 H new ATOM 3007 N GLY B 76 19.643 11.619 3.781 1.00 36.05 N ATOM 3008 CA GLY B 76 19.793 10.611 4.806 1.00 36.19 C ATOM 3009 C GLY B 76 21.047 9.789 4.609 1.00 36.20 C ATOM 3010 O GLY B 76 21.459 9.602 3.448 1.00 0.00 O ATOM 3011 OXT GLY B 76 21.633 9.329 5.612 1.00 0.00 O ATOM 0 H GLY B 76 20.487 12.154 3.580 1.00 36.05 H new ATOM 0 HA2 GLY B 76 19.823 11.090 5.785 1.00 36.19 H new ATOM 0 HA3 GLY B 76 18.923 9.954 4.799 1.00 36.19 H new TER 3015 GLY B 76