USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= -0.903 X(o=-0.055,f=0.051) USER MOD Set 1.2: A 111 SER OG : rot 29:sc= 0.848 USER MOD Set 2.1: A 83 GLN : amide:sc= -0.965! K(o=-0.82!,f=0.75) USER MOD Set 2.2: A 94 THR OG1 : rot -110:sc= 0.145 USER MOD Set 3.1: A 54 ASN : amide:sc= 1.15 K(o=2.1,f=-2!) USER MOD Set 3.2: A 64 SER OG : rot -22:sc= 0.928 USER MOD Set 4.1: A 51 MET CE :methyl -165:sc= -6.4! (180deg=-7.13!) USER MOD Set 4.2: A 53 LYS NZ :NH3+ 162:sc= -6.6! (180deg=-7.57!) USER MOD Set 5.1: A 33 GLN : amide:sc= -2.63! C(o=-2.6!,f=-9.1!) USER MOD Set 5.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 7 GLN : amide:sc= 0.0821 K(o=0.14,f=-11!) USER MOD Set 6.2: A 69 LYS NZ :NH3+ 176:sc= 0.0585 (180deg=-0.0265) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc=0.000365 USER MOD Single : A 19 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.15 K(o=-1.2,f=0) USER MOD Single : A 28 SER OG : rot 81:sc= 0.935 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.098) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00617) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0551 (180deg=-0.403) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.199 (180deg=-0.64) USER MOD Single : A 70 SER OG : rot -86:sc= -0.932! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 73 SER OG : rot -43:sc= 0.381 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -158:sc= 1.16 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -141:sc= -0.884 USER MOD Single : A 82 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-5.1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 83:sc= -0.852 USER MOD Single : A 96 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 104 THR OG1 : rot -130:sc= 0.501 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -18.429 -4.741 -5.528 1.00 0.86 N ATOM 22 CA GLN A 7 -17.180 -4.129 -5.110 1.00 0.74 C ATOM 23 C GLN A 7 -16.118 -5.170 -4.817 1.00 0.69 C ATOM 24 O GLN A 7 -14.936 -4.903 -4.970 1.00 0.64 O ATOM 25 CB GLN A 7 -17.364 -3.257 -3.878 1.00 0.85 C ATOM 26 CG GLN A 7 -16.047 -2.793 -3.273 1.00 0.75 C ATOM 27 CD GLN A 7 -16.241 -1.815 -2.142 1.00 1.15 C ATOM 28 OE1 GLN A 7 -16.357 -2.209 -0.982 1.00 1.96 O ATOM 29 NE2 GLN A 7 -16.267 -0.535 -2.470 1.00 1.70 N ATOM 0 HA GLN A 7 -16.854 -3.507 -5.943 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.962 -2.385 -4.143 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -17.926 -3.813 -3.127 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.494 -3.659 -2.909 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -15.438 -2.329 -4.049 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.167 -0.257 -3.446 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -16.387 0.174 -1.747 1.00 1.70 H new ATOM 38 N ASP A 8 -16.528 -6.351 -4.395 1.00 0.78 N ATOM 39 CA ASP A 8 -15.566 -7.394 -4.060 1.00 0.84 C ATOM 40 C ASP A 8 -14.669 -7.684 -5.259 1.00 0.77 C ATOM 41 O ASP A 8 -13.482 -7.972 -5.110 1.00 0.84 O ATOM 42 CB ASP A 8 -16.291 -8.653 -3.590 1.00 1.01 C ATOM 43 CG ASP A 8 -15.351 -9.803 -3.277 1.00 1.83 C ATOM 44 OD1 ASP A 8 -15.190 -10.703 -4.130 1.00 1.78 O ATOM 45 OD2 ASP A 8 -14.746 -9.796 -2.183 1.00 2.81 O ATOM 0 H ASP A 8 -17.506 -6.614 -4.276 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.934 -7.048 -3.242 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -16.875 -8.417 -2.700 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -16.996 -8.967 -4.360 1.00 1.01 H new ATOM 50 N ASN A 9 -15.242 -7.565 -6.449 1.00 0.72 N ATOM 51 CA ASN A 9 -14.472 -7.634 -7.685 1.00 0.70 C ATOM 52 C ASN A 9 -13.797 -6.301 -7.969 1.00 0.55 C ATOM 53 O ASN A 9 -12.657 -6.254 -8.433 1.00 0.53 O ATOM 54 CB ASN A 9 -15.374 -7.989 -8.863 1.00 0.80 C ATOM 55 CG ASN A 9 -15.812 -9.440 -8.855 1.00 1.28 C ATOM 56 OD1 ASN A 9 -16.814 -9.794 -8.239 1.00 2.04 O ATOM 57 ND2 ASN A 9 -15.064 -10.292 -9.540 1.00 1.78 N ATOM 0 H ASN A 9 -16.242 -7.419 -6.585 1.00 0.72 H new ATOM 0 HA ASN A 9 -13.715 -8.408 -7.561 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.256 -7.349 -8.845 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -14.847 -7.779 -9.794 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -15.313 -11.281 -9.569 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -14.239 -9.959 -10.039 1.00 1.78 H new ATOM 64 N ALA A 10 -14.512 -5.223 -7.674 1.00 0.51 N ATOM 65 CA ALA A 10 -14.041 -3.874 -7.970 1.00 0.45 C ATOM 66 C ALA A 10 -12.774 -3.549 -7.223 1.00 0.38 C ATOM 67 O ALA A 10 -11.848 -3.013 -7.804 1.00 0.35 O ATOM 68 CB ALA A 10 -15.080 -2.843 -7.609 1.00 0.49 C ATOM 0 H ALA A 10 -15.428 -5.257 -7.226 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.846 -3.846 -9.042 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.701 -1.848 -7.841 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -15.989 -3.027 -8.181 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.302 -2.908 -6.544 1.00 0.49 H new ATOM 74 N ARG A 11 -12.751 -3.860 -5.932 1.00 0.41 N ATOM 75 CA ARG A 11 -11.608 -3.555 -5.079 1.00 0.44 C ATOM 76 C ARG A 11 -10.337 -4.039 -5.730 1.00 0.35 C ATOM 77 O ARG A 11 -9.363 -3.304 -5.848 1.00 0.41 O ATOM 78 CB ARG A 11 -11.732 -4.244 -3.741 1.00 0.54 C ATOM 79 CG ARG A 11 -12.967 -3.900 -2.950 1.00 1.44 C ATOM 80 CD ARG A 11 -13.207 -4.960 -1.896 1.00 1.95 C ATOM 81 NE ARG A 11 -14.452 -4.772 -1.160 1.00 2.91 N ATOM 82 CZ ARG A 11 -14.992 -5.712 -0.384 1.00 3.53 C ATOM 83 NH1 ARG A 11 -14.375 -6.878 -0.226 1.00 3.46 N ATOM 84 NH2 ARG A 11 -16.134 -5.479 0.248 1.00 4.41 N ATOM 0 H ARG A 11 -13.518 -4.328 -5.450 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.583 -2.475 -4.936 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -11.713 -5.322 -3.903 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -10.856 -3.997 -3.141 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.849 -2.924 -2.479 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -13.829 -3.831 -3.614 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -13.220 -5.940 -2.373 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -12.374 -4.958 -1.193 1.00 1.95 H new ATOM 0 HE ARG A 11 -14.934 -3.877 -1.243 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -13.488 -7.054 -0.698 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -14.788 -7.597 0.368 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -16.602 -4.579 0.141 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -16.545 -6.200 0.841 1.00 4.41 H new ATOM 98 N LYS A 12 -10.378 -5.293 -6.145 1.00 0.28 N ATOM 99 CA LYS A 12 -9.284 -5.909 -6.875 1.00 0.27 C ATOM 100 C LYS A 12 -8.764 -4.988 -7.969 1.00 0.23 C ATOM 101 O LYS A 12 -7.563 -4.829 -8.125 1.00 0.37 O ATOM 102 CB LYS A 12 -9.753 -7.214 -7.500 1.00 0.37 C ATOM 103 CG LYS A 12 -8.640 -8.022 -8.115 1.00 0.49 C ATOM 104 CD LYS A 12 -7.857 -8.774 -7.059 1.00 0.94 C ATOM 105 CE LYS A 12 -6.614 -9.385 -7.655 1.00 0.88 C ATOM 106 NZ LYS A 12 -5.838 -10.177 -6.665 1.00 1.56 N ATOM 0 H LYS A 12 -11.172 -5.913 -5.985 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.475 -6.102 -6.170 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.249 -7.815 -6.738 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.497 -6.994 -8.266 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -9.055 -8.728 -8.834 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -7.970 -7.362 -8.666 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -7.584 -8.097 -6.250 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -8.480 -9.555 -6.624 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.893 -10.027 -8.490 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -5.982 -8.594 -8.058 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -4.994 -10.575 -7.124 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -5.547 -9.561 -5.879 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.430 -10.950 -6.298 1.00 1.56 H new ATOM 120 N SER A 13 -9.678 -4.365 -8.700 1.00 0.21 N ATOM 121 CA SER A 13 -9.317 -3.518 -9.825 1.00 0.24 C ATOM 122 C SER A 13 -9.008 -2.083 -9.383 1.00 0.24 C ATOM 123 O SER A 13 -8.002 -1.500 -9.793 1.00 0.28 O ATOM 124 CB SER A 13 -10.464 -3.521 -10.833 1.00 0.30 C ATOM 125 OG SER A 13 -10.691 -4.823 -11.341 1.00 0.90 O ATOM 0 H SER A 13 -10.682 -4.432 -8.531 1.00 0.21 H new ATOM 0 HA SER A 13 -8.411 -3.917 -10.281 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.372 -3.149 -10.357 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.233 -2.842 -11.654 1.00 0.30 H new ATOM 0 HG SER A 13 -11.431 -4.799 -11.983 1.00 0.90 H new ATOM 131 N ARG A 14 -9.875 -1.530 -8.542 1.00 0.25 N ATOM 132 CA ARG A 14 -9.758 -0.146 -8.097 1.00 0.30 C ATOM 133 C ARG A 14 -8.505 0.058 -7.259 1.00 0.24 C ATOM 134 O ARG A 14 -7.864 1.106 -7.330 1.00 0.30 O ATOM 135 CB ARG A 14 -11.004 0.276 -7.303 1.00 0.37 C ATOM 136 CG ARG A 14 -11.259 -0.564 -6.063 1.00 0.36 C ATOM 137 CD ARG A 14 -11.160 0.225 -4.763 1.00 0.52 C ATOM 138 NE ARG A 14 -11.537 1.635 -4.919 1.00 1.14 N ATOM 139 CZ ARG A 14 -12.389 2.286 -4.126 1.00 1.41 C ATOM 140 NH1 ARG A 14 -13.005 1.660 -3.128 1.00 1.66 N ATOM 141 NH2 ARG A 14 -12.633 3.570 -4.343 1.00 2.05 N ATOM 0 H ARG A 14 -10.676 -2.026 -8.151 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.680 0.482 -8.984 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -10.898 1.320 -7.007 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -11.875 0.217 -7.955 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.251 -1.010 -6.134 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.542 -1.385 -6.036 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.803 -0.237 -4.014 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -10.139 0.167 -4.386 1.00 0.52 H new ATOM 0 HE ARG A 14 -11.117 2.155 -5.690 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.828 0.669 -2.961 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -13.654 2.170 -2.529 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -12.170 4.054 -5.112 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -13.283 4.074 -3.741 1.00 2.05 H new ATOM 155 N ILE A 15 -8.152 -0.942 -6.467 1.00 0.17 N ATOM 156 CA ILE A 15 -6.972 -0.864 -5.650 1.00 0.15 C ATOM 157 C ILE A 15 -5.753 -1.146 -6.494 1.00 0.13 C ATOM 158 O ILE A 15 -4.733 -0.493 -6.350 1.00 0.13 O ATOM 159 CB ILE A 15 -7.024 -1.884 -4.519 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.218 -1.595 -3.610 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.724 -1.868 -3.729 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.462 -2.668 -2.584 1.00 0.34 C ATOM 0 H ILE A 15 -8.673 -1.815 -6.379 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.920 0.139 -5.226 1.00 0.15 H new ATOM 0 HB ILE A 15 -7.147 -2.880 -4.945 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -8.055 -0.645 -3.100 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -9.112 -1.479 -4.223 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.778 -2.602 -2.925 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.893 -2.114 -4.390 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.568 -0.876 -3.305 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.324 -2.398 -1.973 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.656 -3.615 -3.087 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.583 -2.769 -1.947 1.00 0.34 H new ATOM 174 N GLN A 16 -5.889 -2.144 -7.357 1.00 0.15 N ATOM 175 CA GLN A 16 -4.843 -2.561 -8.284 1.00 0.20 C ATOM 176 C GLN A 16 -4.139 -1.376 -8.930 1.00 0.21 C ATOM 177 O GLN A 16 -2.906 -1.326 -8.959 1.00 0.24 O ATOM 178 CB GLN A 16 -5.464 -3.416 -9.360 1.00 0.25 C ATOM 179 CG GLN A 16 -4.574 -4.543 -9.838 1.00 0.40 C ATOM 180 CD GLN A 16 -5.147 -5.267 -11.041 1.00 1.08 C ATOM 181 OE1 GLN A 16 -5.892 -6.239 -10.904 1.00 1.85 O ATOM 182 NE2 GLN A 16 -4.803 -4.798 -12.229 1.00 1.71 N ATOM 0 H GLN A 16 -6.743 -2.696 -7.435 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.095 -3.119 -7.720 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.396 -3.837 -8.983 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.721 -2.784 -10.210 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.592 -4.143 -10.093 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.427 -5.255 -9.026 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -4.184 -3.991 -12.299 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -5.157 -5.244 -13.075 1.00 1.71 H new ATOM 191 N SER A 17 -4.929 -0.428 -9.435 1.00 0.23 N ATOM 192 CA SER A 17 -4.392 0.768 -10.075 1.00 0.28 C ATOM 193 C SER A 17 -3.375 1.447 -9.168 1.00 0.25 C ATOM 194 O SER A 17 -2.210 1.609 -9.528 1.00 0.34 O ATOM 195 CB SER A 17 -5.531 1.734 -10.401 1.00 0.33 C ATOM 196 OG SER A 17 -6.574 1.072 -11.100 1.00 1.04 O ATOM 0 H SER A 17 -5.948 -0.468 -9.412 1.00 0.23 H new ATOM 0 HA SER A 17 -3.891 0.478 -10.999 1.00 0.28 H new ATOM 0 HB2 SER A 17 -5.922 2.165 -9.479 1.00 0.33 H new ATOM 0 HB3 SER A 17 -5.152 2.560 -11.003 1.00 0.33 H new ATOM 0 HG SER A 17 -7.292 1.709 -11.296 1.00 1.04 H new ATOM 202 N GLU A 18 -3.821 1.800 -7.977 1.00 0.19 N ATOM 203 CA GLU A 18 -2.972 2.447 -6.995 1.00 0.20 C ATOM 204 C GLU A 18 -1.924 1.483 -6.448 1.00 0.16 C ATOM 205 O GLU A 18 -0.791 1.873 -6.232 1.00 0.17 O ATOM 206 CB GLU A 18 -3.837 2.989 -5.875 1.00 0.28 C ATOM 207 CG GLU A 18 -4.799 4.051 -6.362 1.00 0.37 C ATOM 208 CD GLU A 18 -4.085 5.317 -6.763 1.00 1.43 C ATOM 209 OE1 GLU A 18 -3.783 5.485 -7.965 1.00 2.36 O ATOM 210 OE2 GLU A 18 -3.771 6.129 -5.875 1.00 1.76 O ATOM 0 H GLU A 18 -4.780 1.647 -7.664 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.438 3.267 -7.474 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.399 2.171 -5.423 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.200 3.407 -5.096 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.363 3.667 -7.212 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.521 4.275 -5.576 1.00 0.37 H new ATOM 217 N HIS A 19 -2.311 0.227 -6.241 1.00 0.15 N ATOM 218 CA HIS A 19 -1.409 -0.802 -5.720 1.00 0.14 C ATOM 219 C HIS A 19 -0.074 -0.756 -6.435 1.00 0.13 C ATOM 220 O HIS A 19 0.938 -0.534 -5.791 1.00 0.13 O ATOM 221 CB HIS A 19 -2.067 -2.197 -5.814 1.00 0.15 C ATOM 222 CG HIS A 19 -1.111 -3.359 -5.881 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.218 -3.679 -4.879 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.928 -4.285 -6.851 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.472 -4.748 -5.236 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.060 -5.133 -6.425 1.00 0.36 N ATOM 0 H HIS A 19 -3.256 -0.108 -6.429 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.218 -0.601 -4.666 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.717 -2.332 -4.949 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.704 -2.221 -6.698 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.462 -4.344 -7.788 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.244 -5.225 -4.651 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.418 -5.934 -6.945 1.00 0.36 H new ATOM 235 N ARG A 20 -0.089 -0.899 -7.754 1.00 0.14 N ATOM 236 CA ARG A 20 1.140 -0.868 -8.544 1.00 0.14 C ATOM 237 C ARG A 20 1.921 0.413 -8.266 1.00 0.12 C ATOM 238 O ARG A 20 3.138 0.386 -8.095 1.00 0.15 O ATOM 239 CB ARG A 20 0.803 -0.970 -10.029 1.00 0.19 C ATOM 240 CG ARG A 20 -0.058 -2.176 -10.362 1.00 0.25 C ATOM 241 CD ARG A 20 0.638 -3.110 -11.331 1.00 0.90 C ATOM 242 NE ARG A 20 1.896 -3.631 -10.802 1.00 2.11 N ATOM 243 CZ ARG A 20 2.470 -4.753 -11.224 1.00 2.93 C ATOM 244 NH1 ARG A 20 1.860 -5.524 -12.119 1.00 2.80 N ATOM 245 NH2 ARG A 20 3.648 -5.113 -10.737 1.00 4.14 N ATOM 0 H ARG A 20 -0.938 -1.038 -8.302 1.00 0.14 H new ATOM 0 HA ARG A 20 1.762 -1.717 -8.261 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.285 -0.063 -10.341 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.728 -1.022 -10.603 1.00 0.19 H new ATOM 0 HG2 ARG A 20 -0.299 -2.715 -9.446 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -1.002 -1.842 -10.793 1.00 0.25 H new ATOM 0 HD2 ARG A 20 -0.025 -3.942 -11.568 1.00 0.90 H new ATOM 0 HD3 ARG A 20 0.832 -2.581 -12.264 1.00 0.90 H new ATOM 0 HE ARG A 20 2.362 -3.102 -10.065 1.00 2.11 H new ATOM 0 HH11 ARG A 20 0.947 -5.256 -12.485 1.00 2.80 H new ATOM 0 HH12 ARG A 20 2.305 -6.384 -12.439 1.00 2.80 H new ATOM 0 HH21 ARG A 20 4.112 -4.530 -10.040 1.00 4.14 H new ATOM 0 HH22 ARG A 20 4.091 -5.973 -11.059 1.00 4.14 H new ATOM 259 N GLU A 21 1.199 1.528 -8.192 1.00 0.14 N ATOM 260 CA GLU A 21 1.793 2.814 -7.864 1.00 0.14 C ATOM 261 C GLU A 21 2.491 2.772 -6.503 1.00 0.11 C ATOM 262 O GLU A 21 3.652 3.151 -6.387 1.00 0.13 O ATOM 263 CB GLU A 21 0.718 3.899 -7.826 1.00 0.20 C ATOM 264 CG GLU A 21 -0.206 3.935 -9.027 1.00 0.33 C ATOM 265 CD GLU A 21 0.534 4.191 -10.328 1.00 0.52 C ATOM 266 OE1 GLU A 21 1.234 5.219 -10.424 1.00 0.98 O ATOM 267 OE2 GLU A 21 0.432 3.360 -11.251 1.00 0.82 O ATOM 0 H GLU A 21 0.193 1.563 -8.357 1.00 0.14 H new ATOM 0 HA GLU A 21 2.528 3.040 -8.636 1.00 0.14 H new ATOM 0 HB2 GLU A 21 0.116 3.760 -6.928 1.00 0.20 H new ATOM 0 HB3 GLU A 21 1.207 4.869 -7.735 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.740 2.987 -9.098 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -0.955 4.713 -8.881 1.00 0.33 H new ATOM 274 N LEU A 22 1.766 2.322 -5.474 1.00 0.10 N ATOM 275 CA LEU A 22 2.276 2.333 -4.102 1.00 0.09 C ATOM 276 C LEU A 22 3.542 1.506 -3.960 1.00 0.09 C ATOM 277 O LEU A 22 4.440 1.868 -3.207 1.00 0.12 O ATOM 278 CB LEU A 22 1.228 1.842 -3.092 1.00 0.10 C ATOM 279 CG LEU A 22 0.199 2.886 -2.643 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.879 4.204 -2.320 1.00 0.18 C ATOM 281 CD2 LEU A 22 -0.849 3.103 -3.702 1.00 0.22 C ATOM 0 H LEU A 22 0.823 1.945 -5.567 1.00 0.10 H new ATOM 0 HA LEU A 22 2.511 3.374 -3.880 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.695 0.998 -3.530 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.747 1.468 -2.210 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.286 2.506 -1.744 1.00 0.15 H new ATOM 0 HD11 LEU A 22 0.131 4.931 -2.003 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.601 4.054 -1.518 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.393 4.575 -3.207 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.566 3.848 -3.357 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.373 3.454 -4.618 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.367 2.165 -3.899 1.00 0.22 H new ATOM 293 N VAL A 23 3.630 0.398 -4.671 1.00 0.08 N ATOM 294 CA VAL A 23 4.815 -0.422 -4.580 1.00 0.09 C ATOM 295 C VAL A 23 5.921 0.147 -5.454 1.00 0.11 C ATOM 296 O VAL A 23 7.102 0.045 -5.117 1.00 0.12 O ATOM 297 CB VAL A 23 4.554 -1.900 -4.912 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.095 -2.170 -5.233 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.445 -2.366 -6.035 1.00 0.12 C ATOM 0 H VAL A 23 2.909 0.053 -5.305 1.00 0.08 H new ATOM 0 HA VAL A 23 5.136 -0.398 -3.539 1.00 0.09 H new ATOM 0 HB VAL A 23 4.796 -2.473 -4.017 1.00 0.11 H new ATOM 0 HG11 VAL A 23 2.962 -3.228 -5.461 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.478 -1.903 -4.375 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.795 -1.573 -6.094 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.241 -3.415 -6.250 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.251 -1.768 -6.925 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.489 -2.253 -5.742 1.00 0.12 H new ATOM 309 N SER A 24 5.542 0.760 -6.570 1.00 0.12 N ATOM 310 CA SER A 24 6.488 1.526 -7.360 1.00 0.15 C ATOM 311 C SER A 24 7.075 2.616 -6.475 1.00 0.13 C ATOM 312 O SER A 24 8.236 2.999 -6.612 1.00 0.15 O ATOM 313 CB SER A 24 5.800 2.142 -8.583 1.00 0.19 C ATOM 314 OG SER A 24 6.742 2.721 -9.473 1.00 0.74 O ATOM 0 H SER A 24 4.593 0.740 -6.943 1.00 0.12 H new ATOM 0 HA SER A 24 7.280 0.872 -7.723 1.00 0.15 H new ATOM 0 HB2 SER A 24 5.228 1.375 -9.105 1.00 0.19 H new ATOM 0 HB3 SER A 24 5.090 2.902 -8.258 1.00 0.19 H new ATOM 0 HG SER A 24 6.272 3.104 -10.243 1.00 0.74 H new ATOM 320 N ALA A 25 6.259 3.071 -5.531 1.00 0.10 N ATOM 321 CA ALA A 25 6.668 4.088 -4.580 1.00 0.09 C ATOM 322 C ALA A 25 7.491 3.472 -3.469 1.00 0.08 C ATOM 323 O ALA A 25 8.395 4.112 -2.959 1.00 0.08 O ATOM 324 CB ALA A 25 5.466 4.794 -3.987 1.00 0.12 C ATOM 0 H ALA A 25 5.301 2.745 -5.407 1.00 0.10 H new ATOM 0 HA ALA A 25 7.274 4.819 -5.116 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.802 5.551 -3.278 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.895 5.271 -4.783 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.835 4.069 -3.472 1.00 0.12 H new ATOM 330 N ILE A 26 7.170 2.237 -3.077 1.00 0.08 N ATOM 331 CA ILE A 26 7.976 1.539 -2.096 1.00 0.08 C ATOM 332 C ILE A 26 9.397 1.413 -2.604 1.00 0.09 C ATOM 333 O ILE A 26 10.350 1.736 -1.906 1.00 0.12 O ATOM 334 CB ILE A 26 7.408 0.136 -1.741 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.618 0.220 -0.449 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.508 -0.909 -1.596 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.236 -1.131 0.088 1.00 0.20 C ATOM 0 H ILE A 26 6.367 1.712 -3.423 1.00 0.08 H new ATOM 0 HA ILE A 26 7.956 2.128 -1.179 1.00 0.08 H new ATOM 0 HB ILE A 26 6.761 -0.175 -2.562 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.208 0.750 0.299 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.716 0.808 -0.618 1.00 0.18 H new ATOM 0 HG21 ILE A 26 8.064 -1.873 -1.348 1.00 0.15 H new ATOM 0 HG22 ILE A 26 9.056 -0.993 -2.534 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.192 -0.610 -0.802 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.673 -1.009 1.013 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.621 -1.653 -0.645 1.00 0.20 H new ATOM 0 HD13 ILE A 26 7.137 -1.712 0.286 1.00 0.20 H new ATOM 349 N GLN A 27 9.515 0.983 -3.847 1.00 0.09 N ATOM 350 CA GLN A 27 10.804 0.815 -4.482 1.00 0.11 C ATOM 351 C GLN A 27 11.541 2.154 -4.545 1.00 0.13 C ATOM 352 O GLN A 27 12.762 2.216 -4.409 1.00 0.17 O ATOM 353 CB GLN A 27 10.593 0.216 -5.874 1.00 0.11 C ATOM 354 CG GLN A 27 9.861 -1.115 -5.837 1.00 0.13 C ATOM 355 CD GLN A 27 9.644 -1.708 -7.213 1.00 0.19 C ATOM 356 OE1 GLN A 27 10.482 -2.448 -7.726 1.00 0.99 O ATOM 357 NE2 GLN A 27 8.507 -1.397 -7.812 1.00 1.25 N ATOM 0 H GLN A 27 8.721 0.742 -4.441 1.00 0.09 H new ATOM 0 HA GLN A 27 11.425 0.134 -3.901 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.028 0.919 -6.485 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.561 0.080 -6.357 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.429 -1.819 -5.229 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.896 -0.979 -5.349 1.00 0.13 H new ATOM 0 HE21 GLN A 27 7.840 -0.779 -7.350 1.00 1.25 H new ATOM 0 HE22 GLN A 27 8.297 -1.775 -8.736 1.00 1.25 H new ATOM 366 N SER A 28 10.775 3.225 -4.720 1.00 0.13 N ATOM 367 CA SER A 28 11.305 4.580 -4.721 1.00 0.16 C ATOM 368 C SER A 28 11.698 5.028 -3.301 1.00 0.18 C ATOM 369 O SER A 28 12.825 5.459 -3.068 1.00 0.22 O ATOM 370 CB SER A 28 10.250 5.510 -5.317 1.00 0.16 C ATOM 371 OG SER A 28 10.023 5.209 -6.684 1.00 0.68 O ATOM 0 H SER A 28 9.767 3.176 -4.865 1.00 0.13 H new ATOM 0 HA SER A 28 12.212 4.616 -5.325 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.318 5.413 -4.760 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.575 6.546 -5.218 1.00 0.16 H new ATOM 0 HG SER A 28 9.410 4.447 -6.754 1.00 0.68 H new ATOM 377 N TYR A 29 10.753 4.915 -2.368 1.00 0.16 N ATOM 378 CA TYR A 29 10.965 5.228 -0.951 1.00 0.19 C ATOM 379 C TYR A 29 12.200 4.508 -0.430 1.00 0.24 C ATOM 380 O TYR A 29 13.125 5.125 0.091 1.00 0.28 O ATOM 381 CB TYR A 29 9.716 4.782 -0.168 1.00 0.15 C ATOM 382 CG TYR A 29 9.669 5.099 1.324 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.492 5.083 2.068 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.841 5.461 1.980 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.496 5.415 3.410 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.848 5.791 3.322 1.00 0.27 C ATOM 387 CZ TYR A 29 9.494 5.587 4.062 1.00 0.22 C ATOM 388 OH TYR A 29 9.674 6.103 5.363 1.00 0.32 O ATOM 0 H TYR A 29 9.806 4.600 -2.576 1.00 0.16 H new ATOM 0 HA TYR A 29 11.123 6.299 -0.824 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.844 5.239 -0.637 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.612 3.703 -0.286 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.563 4.807 1.590 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.768 5.485 1.427 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.543 5.527 3.906 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.730 6.164 3.822 1.00 0.27 H new ATOM 0 HH TYR A 29 10.628 6.102 5.586 1.00 0.32 H new ATOM 398 N ILE A 30 12.200 3.201 -0.593 1.00 0.25 N ATOM 399 CA ILE A 30 13.263 2.356 -0.094 1.00 0.32 C ATOM 400 C ILE A 30 14.603 2.686 -0.743 1.00 0.38 C ATOM 401 O ILE A 30 15.632 2.707 -0.072 1.00 0.44 O ATOM 402 CB ILE A 30 12.891 0.884 -0.313 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.657 0.566 0.539 1.00 0.28 C ATOM 404 CG2 ILE A 30 14.060 -0.030 0.005 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.199 -0.867 0.474 1.00 0.29 C ATOM 0 H ILE A 30 11.459 2.694 -1.077 1.00 0.25 H new ATOM 0 HA ILE A 30 13.378 2.542 0.974 1.00 0.32 H new ATOM 0 HB ILE A 30 12.651 0.711 -1.362 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.875 0.817 1.577 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.837 1.210 0.221 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.766 -1.067 -0.159 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.901 0.216 -0.643 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.353 0.103 1.046 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.322 -0.998 1.107 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.945 -1.121 -0.555 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.999 -1.521 0.822 1.00 0.29 H new ATOM 417 N GLY A 31 14.579 2.996 -2.031 1.00 0.38 N ATOM 418 CA GLY A 31 15.806 3.340 -2.727 1.00 0.47 C ATOM 419 C GLY A 31 16.331 4.697 -2.300 1.00 0.50 C ATOM 420 O GLY A 31 17.472 5.057 -2.592 1.00 0.57 O ATOM 0 H GLY A 31 13.737 3.016 -2.606 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.561 2.579 -2.531 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.627 3.341 -3.802 1.00 0.47 H new ATOM 424 N ALA A 32 15.486 5.447 -1.607 1.00 0.48 N ATOM 425 CA ALA A 32 15.843 6.762 -1.100 1.00 0.51 C ATOM 426 C ALA A 32 16.285 6.691 0.350 1.00 0.54 C ATOM 427 O ALA A 32 16.995 7.573 0.836 1.00 0.60 O ATOM 428 CB ALA A 32 14.655 7.694 -1.215 1.00 0.46 C ATOM 0 H ALA A 32 14.534 5.160 -1.381 1.00 0.48 H new ATOM 0 HA ALA A 32 16.673 7.139 -1.697 1.00 0.51 H new ATOM 0 HB1 ALA A 32 14.927 8.678 -0.834 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.359 7.779 -2.261 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.823 7.297 -0.633 1.00 0.46 H new ATOM 434 N GLN A 33 15.845 5.643 1.033 1.00 0.50 N ATOM 435 CA GLN A 33 16.078 5.490 2.452 1.00 0.53 C ATOM 436 C GLN A 33 17.544 5.507 2.827 1.00 0.65 C ATOM 437 O GLN A 33 18.423 5.223 2.010 1.00 0.70 O ATOM 438 CB GLN A 33 15.441 4.209 2.926 1.00 0.50 C ATOM 439 CG GLN A 33 13.959 4.361 3.092 1.00 0.42 C ATOM 440 CD GLN A 33 13.580 4.808 4.490 1.00 0.44 C ATOM 441 OE1 GLN A 33 13.348 3.989 5.376 1.00 1.04 O ATOM 442 NE2 GLN A 33 13.525 6.114 4.699 1.00 1.19 N ATOM 0 H GLN A 33 15.317 4.878 0.614 1.00 0.50 H new ATOM 0 HA GLN A 33 15.626 6.351 2.944 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.648 3.412 2.212 1.00 0.50 H new ATOM 0 HB3 GLN A 33 15.886 3.910 3.875 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.587 5.086 2.368 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.472 3.411 2.872 1.00 0.42 H new ATOM 0 HE21 GLN A 33 13.725 6.761 3.936 1.00 1.19 H new ATOM 0 HE22 GLN A 33 13.283 6.473 5.623 1.00 1.19 H new ATOM 451 N ASP A 34 17.779 5.829 4.087 1.00 0.72 N ATOM 452 CA ASP A 34 19.115 5.845 4.656 1.00 0.85 C ATOM 453 C ASP A 34 19.753 4.478 4.515 1.00 0.88 C ATOM 454 O ASP A 34 20.959 4.347 4.313 1.00 0.99 O ATOM 455 CB ASP A 34 19.033 6.253 6.119 1.00 0.90 C ATOM 456 CG ASP A 34 20.389 6.530 6.729 1.00 1.06 C ATOM 457 OD1 ASP A 34 20.794 5.792 7.650 1.00 1.14 O ATOM 458 OD2 ASP A 34 21.066 7.475 6.274 1.00 1.22 O ATOM 0 H ASP A 34 17.045 6.088 4.747 1.00 0.72 H new ATOM 0 HA ASP A 34 19.733 6.567 4.122 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.411 7.144 6.208 1.00 0.90 H new ATOM 0 HB3 ASP A 34 18.540 5.462 6.685 1.00 0.90 H new ATOM 463 N ASP A 35 18.908 3.470 4.596 1.00 0.82 N ATOM 464 CA ASP A 35 19.289 2.097 4.280 1.00 0.89 C ATOM 465 C ASP A 35 18.131 1.417 3.580 1.00 0.80 C ATOM 466 O ASP A 35 17.089 1.168 4.184 1.00 0.77 O ATOM 467 CB ASP A 35 19.686 1.251 5.505 1.00 0.99 C ATOM 468 CG ASP A 35 20.870 1.805 6.273 1.00 1.60 C ATOM 469 OD1 ASP A 35 20.685 2.256 7.422 1.00 2.19 O ATOM 470 OD2 ASP A 35 22.000 1.785 5.735 1.00 1.95 O ATOM 0 H ASP A 35 17.935 3.574 4.883 1.00 0.82 H new ATOM 0 HA ASP A 35 20.174 2.163 3.647 1.00 0.89 H new ATOM 0 HB2 ASP A 35 18.831 1.178 6.177 1.00 0.99 H new ATOM 0 HB3 ASP A 35 19.920 0.239 5.175 1.00 0.99 H new ATOM 475 N PRO A 36 18.297 1.110 2.294 1.00 0.79 N ATOM 476 CA PRO A 36 17.280 0.421 1.493 1.00 0.72 C ATOM 477 C PRO A 36 17.218 -1.041 1.845 1.00 0.77 C ATOM 478 O PRO A 36 16.386 -1.794 1.358 1.00 0.77 O ATOM 479 CB PRO A 36 17.816 0.586 0.083 1.00 0.73 C ATOM 480 CG PRO A 36 19.284 0.546 0.285 1.00 0.84 C ATOM 481 CD PRO A 36 19.499 1.399 1.495 1.00 0.85 C ATOM 0 HA PRO A 36 16.274 0.814 1.642 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.476 -0.213 -0.575 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.494 1.526 -0.365 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.639 -0.472 0.445 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.818 0.937 -0.581 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.414 1.132 2.024 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.575 2.456 1.240 1.00 0.85 H new ATOM 489 N THR A 37 18.130 -1.415 2.697 1.00 0.84 N ATOM 490 CA THR A 37 18.318 -2.787 3.080 1.00 0.90 C ATOM 491 C THR A 37 17.287 -3.212 4.108 1.00 0.89 C ATOM 492 O THR A 37 16.875 -4.372 4.163 1.00 0.91 O ATOM 493 CB THR A 37 19.737 -2.957 3.640 1.00 1.03 C ATOM 494 OG1 THR A 37 19.823 -2.348 4.936 1.00 1.07 O ATOM 495 CG2 THR A 37 20.738 -2.274 2.723 1.00 1.06 C ATOM 0 H THR A 37 18.773 -0.767 3.152 1.00 0.84 H new ATOM 0 HA THR A 37 18.190 -3.423 2.204 1.00 0.90 H new ATOM 0 HB THR A 37 19.960 -4.022 3.710 1.00 1.03 H new ATOM 0 HG1 THR A 37 20.730 -2.460 5.291 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.743 -2.398 3.125 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.687 -2.722 1.731 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.503 -1.212 2.655 1.00 1.06 H new ATOM 503 N ASN A 38 16.865 -2.256 4.906 1.00 0.87 N ATOM 504 CA ASN A 38 15.838 -2.481 5.902 1.00 0.88 C ATOM 505 C ASN A 38 15.212 -1.154 6.316 1.00 0.80 C ATOM 506 O ASN A 38 15.393 -0.693 7.441 1.00 0.86 O ATOM 507 CB ASN A 38 16.449 -3.184 7.099 1.00 1.05 C ATOM 508 CG ASN A 38 15.405 -3.769 8.036 1.00 1.02 C ATOM 509 OD1 ASN A 38 14.924 -3.102 8.950 1.00 1.43 O ATOM 510 ND2 ASN A 38 15.047 -5.025 7.816 1.00 1.64 N ATOM 0 H ASN A 38 17.223 -1.301 4.884 1.00 0.87 H new ATOM 0 HA ASN A 38 15.053 -3.111 5.484 1.00 0.88 H new ATOM 0 HB2 ASN A 38 17.105 -3.982 6.750 1.00 1.05 H new ATOM 0 HB3 ASN A 38 17.071 -2.479 7.650 1.00 1.05 H new ATOM 0 HD21 ASN A 38 14.351 -5.469 8.415 1.00 1.64 H new ATOM 0 HD22 ASN A 38 15.467 -5.548 7.048 1.00 1.64 H new ATOM 517 N PRO A 39 14.509 -0.501 5.379 1.00 0.68 N ATOM 518 CA PRO A 39 13.819 0.772 5.629 1.00 0.61 C ATOM 519 C PRO A 39 12.757 0.704 6.728 1.00 0.63 C ATOM 520 O PRO A 39 12.494 -0.354 7.309 1.00 0.73 O ATOM 521 CB PRO A 39 13.159 1.102 4.287 1.00 0.53 C ATOM 522 CG PRO A 39 13.193 -0.159 3.502 1.00 0.54 C ATOM 523 CD PRO A 39 14.375 -0.925 3.979 1.00 0.64 C ATOM 0 HA PRO A 39 14.526 1.522 5.983 1.00 0.61 H new ATOM 0 HB2 PRO A 39 12.135 1.448 4.429 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.696 1.899 3.772 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.276 -0.731 3.647 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.272 0.051 2.435 1.00 0.54 H new ATOM 0 HD2 PRO A 39 14.217 -2.000 3.898 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.268 -0.689 3.400 1.00 0.64 H new ATOM 531 N SER A 40 12.154 1.852 6.999 1.00 0.58 N ATOM 532 CA SER A 40 11.092 1.964 7.990 1.00 0.61 C ATOM 533 C SER A 40 9.791 1.342 7.490 1.00 0.53 C ATOM 534 O SER A 40 9.735 0.773 6.396 1.00 0.49 O ATOM 535 CB SER A 40 10.860 3.439 8.331 1.00 0.64 C ATOM 536 OG SER A 40 12.034 4.025 8.868 1.00 0.77 O ATOM 0 H SER A 40 12.386 2.732 6.539 1.00 0.58 H new ATOM 0 HA SER A 40 11.404 1.420 8.882 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.556 3.980 7.435 1.00 0.64 H new ATOM 0 HB3 SER A 40 10.044 3.527 9.049 1.00 0.64 H new ATOM 0 HG SER A 40 11.863 4.967 9.077 1.00 0.77 H new ATOM 542 N GLU A 41 8.756 1.436 8.310 1.00 0.58 N ATOM 543 CA GLU A 41 7.430 1.024 7.911 1.00 0.55 C ATOM 544 C GLU A 41 6.870 2.032 6.933 1.00 0.51 C ATOM 545 O GLU A 41 6.899 3.238 7.172 1.00 0.72 O ATOM 546 CB GLU A 41 6.529 0.877 9.137 1.00 0.66 C ATOM 547 CG GLU A 41 5.058 1.047 8.841 1.00 0.66 C ATOM 548 CD GLU A 41 4.191 0.871 10.069 1.00 0.82 C ATOM 549 OE1 GLU A 41 3.762 -0.271 10.336 1.00 0.85 O ATOM 550 OE2 GLU A 41 3.941 1.871 10.777 1.00 0.99 O ATOM 0 H GLU A 41 8.816 1.798 9.262 1.00 0.58 H new ATOM 0 HA GLU A 41 7.478 0.052 7.421 1.00 0.55 H new ATOM 0 HB2 GLU A 41 6.689 -0.107 9.577 1.00 0.66 H new ATOM 0 HB3 GLU A 41 6.826 1.613 9.884 1.00 0.66 H new ATOM 0 HG2 GLU A 41 4.888 2.038 8.421 1.00 0.66 H new ATOM 0 HG3 GLU A 41 4.758 0.324 8.083 1.00 0.66 H new ATOM 557 N ILE A 42 6.376 1.524 5.831 1.00 0.29 N ATOM 558 CA ILE A 42 5.981 2.351 4.733 1.00 0.21 C ATOM 559 C ILE A 42 4.469 2.511 4.667 1.00 0.22 C ATOM 560 O ILE A 42 3.724 1.540 4.804 1.00 0.27 O ATOM 561 CB ILE A 42 6.524 1.748 3.440 1.00 0.16 C ATOM 562 CG1 ILE A 42 8.043 1.906 3.425 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.878 2.393 2.239 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.667 1.642 2.086 1.00 0.15 C ATOM 0 H ILE A 42 6.239 0.525 5.676 1.00 0.29 H new ATOM 0 HA ILE A 42 6.397 3.349 4.874 1.00 0.21 H new ATOM 0 HB ILE A 42 6.282 0.686 3.393 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.297 2.918 3.740 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.477 1.226 4.158 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.279 1.949 1.328 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.800 2.234 2.276 1.00 0.13 H new ATOM 0 HG23 ILE A 42 6.087 3.463 2.244 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.747 1.774 2.155 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.446 0.621 1.776 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.263 2.339 1.352 1.00 0.15 H new ATOM 576 N THR A 43 4.018 3.745 4.475 1.00 0.19 N ATOM 577 CA THR A 43 2.597 4.022 4.372 1.00 0.19 C ATOM 578 C THR A 43 2.308 4.943 3.214 1.00 0.16 C ATOM 579 O THR A 43 3.219 5.514 2.624 1.00 0.15 O ATOM 580 CB THR A 43 2.032 4.648 5.660 1.00 0.21 C ATOM 581 OG1 THR A 43 2.711 5.876 5.944 1.00 0.21 O ATOM 582 CG2 THR A 43 2.180 3.695 6.835 1.00 0.22 C ATOM 0 H THR A 43 4.617 4.566 4.388 1.00 0.19 H new ATOM 0 HA THR A 43 2.108 3.061 4.210 1.00 0.19 H new ATOM 0 HB THR A 43 0.971 4.847 5.508 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.346 6.270 6.764 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.774 4.159 7.734 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.638 2.773 6.626 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.235 3.468 6.989 1.00 0.22 H new ATOM 590 N LEU A 44 1.038 5.099 2.903 1.00 0.16 N ATOM 591 CA LEU A 44 0.621 5.920 1.784 1.00 0.15 C ATOM 592 C LEU A 44 0.971 7.372 2.031 1.00 0.15 C ATOM 593 O LEU A 44 1.383 8.102 1.130 1.00 0.16 O ATOM 594 CB LEU A 44 -0.869 5.766 1.575 1.00 0.16 C ATOM 595 CG LEU A 44 -1.337 4.327 1.480 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.748 4.246 0.948 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.375 3.526 0.624 1.00 0.18 C ATOM 0 H LEU A 44 0.270 4.664 3.414 1.00 0.16 H new ATOM 0 HA LEU A 44 1.146 5.593 0.887 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.392 6.253 2.398 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -1.153 6.290 0.662 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.347 3.896 2.481 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -3.056 3.202 0.891 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.420 4.787 1.615 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.788 4.691 -0.046 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.718 2.493 0.560 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.333 3.957 -0.376 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.618 3.552 1.072 1.00 0.18 H new ATOM 609 N ALA A 45 0.825 7.759 3.278 1.00 0.15 N ATOM 610 CA ALA A 45 1.119 9.108 3.713 1.00 0.15 C ATOM 611 C ALA A 45 2.623 9.396 3.617 1.00 0.15 C ATOM 612 O ALA A 45 3.047 10.548 3.517 1.00 0.18 O ATOM 613 CB ALA A 45 0.604 9.286 5.130 1.00 0.18 C ATOM 0 H ALA A 45 0.497 7.145 4.024 1.00 0.15 H new ATOM 0 HA ALA A 45 0.619 9.824 3.061 1.00 0.15 H new ATOM 0 HB1 ALA A 45 0.819 10.299 5.471 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.473 9.117 5.150 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.095 8.570 5.788 1.00 0.18 H new ATOM 619 N LYS A 46 3.417 8.329 3.647 1.00 0.15 N ATOM 620 CA LYS A 46 4.861 8.414 3.477 1.00 0.15 C ATOM 621 C LYS A 46 5.252 8.287 2.016 1.00 0.13 C ATOM 622 O LYS A 46 6.228 8.879 1.569 1.00 0.13 O ATOM 623 CB LYS A 46 5.518 7.286 4.240 1.00 0.16 C ATOM 624 CG LYS A 46 5.390 7.388 5.738 1.00 0.20 C ATOM 625 CD LYS A 46 5.950 6.148 6.398 1.00 0.22 C ATOM 626 CE LYS A 46 5.540 6.064 7.847 1.00 0.30 C ATOM 627 NZ LYS A 46 6.117 7.163 8.663 1.00 0.36 N ATOM 0 H LYS A 46 3.074 7.379 3.790 1.00 0.15 H new ATOM 0 HA LYS A 46 5.188 9.385 3.850 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.082 6.342 3.914 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.576 7.256 3.980 1.00 0.16 H new ATOM 0 HG2 LYS A 46 5.921 8.270 6.096 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.343 7.513 6.013 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.601 5.262 5.867 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.038 6.155 6.326 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.453 6.096 7.917 1.00 0.30 H new ATOM 0 HE3 LYS A 46 5.858 5.105 8.257 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 5.849 7.033 9.659 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.154 7.150 8.579 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.753 8.076 8.322 1.00 0.36 H new ATOM 641 N LEU A 47 4.495 7.483 1.288 1.00 0.13 N ATOM 642 CA LEU A 47 4.783 7.193 -0.102 1.00 0.11 C ATOM 643 C LEU A 47 4.443 8.364 -1.013 1.00 0.12 C ATOM 644 O LEU A 47 4.809 8.367 -2.185 1.00 0.14 O ATOM 645 CB LEU A 47 4.022 5.938 -0.522 1.00 0.09 C ATOM 646 CG LEU A 47 4.615 4.633 -0.001 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.746 3.454 -0.394 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.032 4.454 -0.519 1.00 0.11 C ATOM 0 H LEU A 47 3.663 7.014 1.647 1.00 0.13 H new ATOM 0 HA LEU A 47 5.855 7.021 -0.202 1.00 0.11 H new ATOM 0 HB2 LEU A 47 2.993 6.019 -0.173 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.987 5.897 -1.611 1.00 0.09 H new ATOM 0 HG LEU A 47 4.649 4.679 1.088 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.187 2.533 -0.012 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.749 3.580 0.028 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.676 3.400 -1.480 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.443 3.519 -0.139 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.021 4.429 -1.609 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.651 5.285 -0.181 1.00 0.11 H new ATOM 660 N ALA A 48 3.778 9.368 -0.449 1.00 0.12 N ATOM 661 CA ALA A 48 3.343 10.553 -1.190 1.00 0.14 C ATOM 662 C ALA A 48 4.421 11.125 -2.121 1.00 0.15 C ATOM 663 O ALA A 48 4.175 11.286 -3.317 1.00 0.19 O ATOM 664 CB ALA A 48 2.860 11.627 -0.227 1.00 0.16 C ATOM 0 H ALA A 48 3.524 9.385 0.539 1.00 0.12 H new ATOM 0 HA ALA A 48 2.523 10.229 -1.831 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.539 12.503 -0.790 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.022 11.243 0.355 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.672 11.905 0.445 1.00 0.16 H new ATOM 670 N PRO A 49 5.632 11.432 -1.607 1.00 0.15 N ATOM 671 CA PRO A 49 6.698 12.057 -2.399 1.00 0.19 C ATOM 672 C PRO A 49 7.284 11.116 -3.442 1.00 0.21 C ATOM 673 O PRO A 49 7.984 11.539 -4.363 1.00 0.28 O ATOM 674 CB PRO A 49 7.763 12.390 -1.348 1.00 0.21 C ATOM 675 CG PRO A 49 7.045 12.336 -0.051 1.00 0.37 C ATOM 676 CD PRO A 49 6.083 11.221 -0.226 1.00 0.14 C ATOM 0 HA PRO A 49 6.331 12.916 -2.960 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.584 11.673 -1.376 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.194 13.376 -1.521 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.728 12.149 0.777 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.535 13.275 0.163 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.556 10.248 -0.094 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.260 11.275 0.486 1.00 0.14 H new ATOM 684 N TYR A 50 6.999 9.839 -3.283 1.00 0.21 N ATOM 685 CA TYR A 50 7.566 8.810 -4.134 1.00 0.25 C ATOM 686 C TYR A 50 6.573 8.359 -5.194 1.00 0.27 C ATOM 687 O TYR A 50 6.922 7.593 -6.094 1.00 0.33 O ATOM 688 CB TYR A 50 8.003 7.627 -3.279 1.00 0.26 C ATOM 689 CG TYR A 50 8.902 8.037 -2.137 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.226 8.373 -2.370 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.437 8.065 -0.831 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.066 8.727 -1.332 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.268 8.423 0.214 1.00 0.30 C ATOM 694 CZ TYR A 50 10.531 8.829 -0.030 1.00 0.36 C ATOM 695 OH TYR A 50 11.416 9.101 0.996 1.00 0.42 O ATOM 0 H TYR A 50 6.370 9.485 -2.562 1.00 0.21 H new ATOM 0 HA TYR A 50 8.432 9.226 -4.650 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.121 7.126 -2.880 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.525 6.904 -3.906 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.608 8.358 -3.380 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.409 7.803 -0.627 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.113 8.922 -1.513 1.00 0.39 H new ATOM 0 HE2 TYR A 50 8.905 8.377 1.230 1.00 0.30 H new ATOM 0 HH TYR A 50 10.928 9.148 1.845 1.00 0.42 H new ATOM 705 N MET A 51 5.337 8.830 -5.091 1.00 0.28 N ATOM 706 CA MET A 51 4.337 8.510 -6.094 1.00 0.35 C ATOM 707 C MET A 51 4.542 9.390 -7.311 1.00 0.54 C ATOM 708 O MET A 51 5.131 10.467 -7.227 1.00 0.51 O ATOM 709 CB MET A 51 2.913 8.680 -5.570 1.00 0.29 C ATOM 710 CG MET A 51 2.674 8.049 -4.217 1.00 0.15 C ATOM 711 SD MET A 51 2.842 6.265 -4.210 1.00 0.26 S ATOM 712 CE MET A 51 1.613 5.782 -5.395 1.00 0.25 C ATOM 0 H MET A 51 5.008 9.427 -4.332 1.00 0.28 H new ATOM 0 HA MET A 51 4.462 7.460 -6.360 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.685 9.744 -5.508 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.218 8.246 -6.289 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.376 8.473 -3.500 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.673 8.311 -3.876 1.00 0.15 H new ATOM 0 HE1 MET A 51 1.418 4.714 -5.302 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.693 6.336 -5.211 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.972 5.999 -6.401 1.00 0.25 H new ATOM 722 N SER A 52 4.044 8.933 -8.431 1.00 0.90 N ATOM 723 CA SER A 52 4.279 9.603 -9.697 1.00 1.14 C ATOM 724 C SER A 52 2.969 9.926 -10.405 1.00 0.98 C ATOM 725 O SER A 52 2.901 10.861 -11.204 1.00 1.19 O ATOM 726 CB SER A 52 5.160 8.729 -10.587 1.00 1.43 C ATOM 727 OG SER A 52 6.333 8.322 -9.898 1.00 2.32 O ATOM 0 H SER A 52 3.468 8.094 -8.498 1.00 0.90 H new ATOM 0 HA SER A 52 4.789 10.545 -9.496 1.00 1.14 H new ATOM 0 HB2 SER A 52 4.600 7.851 -10.909 1.00 1.43 H new ATOM 0 HB3 SER A 52 5.435 9.280 -11.486 1.00 1.43 H new ATOM 0 HG SER A 52 6.881 7.762 -10.487 1.00 2.32 H new ATOM 733 N LYS A 53 1.932 9.151 -10.110 1.00 0.79 N ATOM 734 CA LYS A 53 0.622 9.376 -10.693 1.00 0.81 C ATOM 735 C LYS A 53 -0.058 10.567 -10.004 1.00 0.98 C ATOM 736 O LYS A 53 0.628 11.442 -9.483 1.00 1.91 O ATOM 737 CB LYS A 53 -0.199 8.059 -10.606 1.00 0.99 C ATOM 738 CG LYS A 53 -1.081 7.830 -9.367 1.00 0.82 C ATOM 739 CD LYS A 53 -0.352 8.062 -8.058 1.00 0.69 C ATOM 740 CE LYS A 53 -1.098 7.461 -6.879 1.00 0.86 C ATOM 741 NZ LYS A 53 -1.305 6.008 -7.024 1.00 1.65 N ATOM 0 H LYS A 53 1.977 8.360 -9.468 1.00 0.79 H new ATOM 0 HA LYS A 53 0.702 9.639 -11.748 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -0.841 8.009 -11.485 1.00 0.99 H new ATOM 0 HB3 LYS A 53 0.501 7.226 -10.675 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -1.944 8.494 -9.417 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -1.463 6.809 -9.386 1.00 0.82 H new ATOM 0 HD2 LYS A 53 0.646 7.627 -8.116 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -0.224 9.133 -7.899 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -0.541 7.656 -5.963 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -2.065 7.954 -6.775 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -1.532 5.595 -6.097 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -2.091 5.833 -7.682 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -0.438 5.569 -7.396 1.00 1.65 H new ATOM 755 N ASN A 54 -1.387 10.596 -10.060 1.00 0.79 N ATOM 756 CA ASN A 54 -2.243 11.522 -9.312 1.00 0.77 C ATOM 757 C ASN A 54 -1.564 12.228 -8.132 1.00 0.93 C ATOM 758 O ASN A 54 -1.622 13.451 -8.007 1.00 1.79 O ATOM 759 CB ASN A 54 -3.406 10.707 -8.773 1.00 0.75 C ATOM 760 CG ASN A 54 -4.487 10.451 -9.809 1.00 1.15 C ATOM 761 OD1 ASN A 54 -4.207 10.322 -11.001 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.729 10.380 -9.361 1.00 1.22 N ATOM 0 H ASN A 54 -1.919 9.954 -10.647 1.00 0.79 H new ATOM 0 HA ASN A 54 -2.535 12.315 -10.000 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.032 9.752 -8.404 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.844 11.229 -7.922 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -6.497 10.213 -10.011 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -5.919 10.492 -8.365 1.00 1.22 H new ATOM 769 N ALA A 55 -0.948 11.432 -7.277 1.00 0.45 N ATOM 770 CA ALA A 55 -0.353 11.886 -6.026 1.00 0.38 C ATOM 771 C ALA A 55 0.677 13.001 -6.186 1.00 0.49 C ATOM 772 O ALA A 55 1.168 13.285 -7.279 1.00 0.72 O ATOM 773 CB ALA A 55 0.304 10.706 -5.353 1.00 0.31 C ATOM 0 H ALA A 55 -0.843 10.429 -7.433 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.163 12.305 -5.429 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.755 11.027 -4.414 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.444 9.939 -5.152 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.076 10.298 -6.006 1.00 0.31 H new ATOM 779 N LYS A 56 1.012 13.598 -5.050 1.00 0.48 N ATOM 780 CA LYS A 56 2.014 14.645 -4.967 1.00 0.59 C ATOM 781 C LYS A 56 2.434 14.805 -3.509 1.00 0.45 C ATOM 782 O LYS A 56 3.565 14.502 -3.137 1.00 0.50 O ATOM 783 CB LYS A 56 1.476 15.969 -5.514 1.00 0.79 C ATOM 784 CG LYS A 56 2.522 17.069 -5.580 1.00 1.43 C ATOM 785 CD LYS A 56 3.582 16.773 -6.631 1.00 1.46 C ATOM 786 CE LYS A 56 3.015 16.848 -8.041 1.00 1.71 C ATOM 787 NZ LYS A 56 2.494 18.204 -8.354 1.00 2.30 N ATOM 0 H LYS A 56 0.589 13.364 -4.152 1.00 0.48 H new ATOM 0 HA LYS A 56 2.875 14.366 -5.574 1.00 0.59 H new ATOM 0 HB2 LYS A 56 1.072 15.803 -6.513 1.00 0.79 H new ATOM 0 HB3 LYS A 56 0.649 16.302 -4.887 1.00 0.79 H new ATOM 0 HG2 LYS A 56 2.038 18.019 -5.808 1.00 1.43 H new ATOM 0 HG3 LYS A 56 2.997 17.179 -4.605 1.00 1.43 H new ATOM 0 HD2 LYS A 56 4.402 17.484 -6.531 1.00 1.46 H new ATOM 0 HD3 LYS A 56 3.998 15.780 -6.459 1.00 1.46 H new ATOM 0 HE2 LYS A 56 3.790 16.582 -8.759 1.00 1.71 H new ATOM 0 HE3 LYS A 56 2.214 16.117 -8.150 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 2.385 18.305 -9.383 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 1.571 18.336 -7.894 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 3.161 18.921 -8.004 1.00 2.30 H new ATOM 801 N ASN A 57 1.499 15.264 -2.687 1.00 0.36 N ATOM 802 CA ASN A 57 1.685 15.291 -1.250 1.00 0.26 C ATOM 803 C ASN A 57 0.781 14.256 -0.637 1.00 0.22 C ATOM 804 O ASN A 57 0.073 13.557 -1.362 1.00 0.24 O ATOM 805 CB ASN A 57 1.349 16.662 -0.656 1.00 0.31 C ATOM 806 CG ASN A 57 2.262 17.766 -1.156 1.00 0.35 C ATOM 807 OD1 ASN A 57 3.315 18.030 -0.574 1.00 1.02 O ATOM 808 ND2 ASN A 57 1.856 18.435 -2.225 1.00 1.32 N ATOM 0 H ASN A 57 0.598 15.625 -2.999 1.00 0.36 H new ATOM 0 HA ASN A 57 2.733 15.083 -1.033 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.317 16.914 -0.899 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.416 16.607 0.431 1.00 0.31 H new ATOM 0 HD21 ASN A 57 2.422 19.199 -2.594 1.00 1.32 H new ATOM 0 HD22 ASN A 57 0.977 18.186 -2.679 1.00 1.32 H new ATOM 815 N GLU A 58 0.780 14.169 0.679 1.00 0.23 N ATOM 816 CA GLU A 58 -0.093 13.239 1.375 1.00 0.23 C ATOM 817 C GLU A 58 -1.543 13.531 1.005 1.00 0.30 C ATOM 818 O GLU A 58 -2.362 12.623 0.829 1.00 0.36 O ATOM 819 CB GLU A 58 0.122 13.330 2.887 1.00 0.27 C ATOM 820 CG GLU A 58 -1.145 13.605 3.662 1.00 0.36 C ATOM 821 CD GLU A 58 -0.936 13.637 5.159 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.573 14.707 5.688 1.00 0.68 O ATOM 823 OE2 GLU A 58 -1.141 12.597 5.819 1.00 0.59 O ATOM 0 H GLU A 58 1.374 14.731 1.289 1.00 0.23 H new ATOM 0 HA GLU A 58 0.147 12.220 1.070 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.559 12.396 3.240 1.00 0.27 H new ATOM 0 HB3 GLU A 58 0.844 14.119 3.096 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.560 14.560 3.340 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.883 12.840 3.422 1.00 0.36 H new ATOM 830 N ASP A 59 -1.822 14.815 0.841 1.00 0.37 N ATOM 831 CA ASP A 59 -3.141 15.295 0.468 1.00 0.48 C ATOM 832 C ASP A 59 -3.542 14.783 -0.912 1.00 0.41 C ATOM 833 O ASP A 59 -4.719 14.565 -1.188 1.00 0.50 O ATOM 834 CB ASP A 59 -3.137 16.816 0.467 1.00 0.63 C ATOM 835 CG ASP A 59 -4.528 17.409 0.461 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.109 17.589 1.548 1.00 0.90 O ATOM 837 OD2 ASP A 59 -5.053 17.688 -0.638 1.00 0.55 O ATOM 0 H ASP A 59 -1.134 15.557 0.964 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.865 14.922 1.192 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -2.599 17.173 1.345 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.592 17.172 -0.407 1.00 0.63 H new ATOM 842 N GLY A 60 -2.551 14.575 -1.765 1.00 0.35 N ATOM 843 CA GLY A 60 -2.821 14.201 -3.138 1.00 0.41 C ATOM 844 C GLY A 60 -2.687 12.715 -3.401 1.00 0.43 C ATOM 845 O GLY A 60 -3.077 12.239 -4.462 1.00 0.83 O ATOM 0 H GLY A 60 -1.562 14.659 -1.531 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.830 14.518 -3.400 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.137 14.740 -3.794 1.00 0.41 H new ATOM 849 N ILE A 61 -2.127 11.974 -2.456 1.00 0.25 N ATOM 850 CA ILE A 61 -1.936 10.550 -2.641 1.00 0.20 C ATOM 851 C ILE A 61 -3.027 9.748 -1.963 1.00 0.15 C ATOM 852 O ILE A 61 -3.816 9.074 -2.613 1.00 0.17 O ATOM 853 CB ILE A 61 -0.545 10.098 -2.127 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.428 8.584 -2.103 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.240 10.655 -0.748 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.880 7.922 -3.385 1.00 0.20 C ATOM 0 H ILE A 61 -1.800 12.336 -1.560 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.989 10.359 -3.713 1.00 0.20 H new ATOM 0 HB ILE A 61 0.188 10.498 -2.828 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.609 8.311 -1.909 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -1.020 8.195 -1.275 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.744 10.313 -0.427 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.252 11.744 -0.785 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.993 10.308 -0.041 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.768 6.841 -3.296 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.926 8.165 -3.570 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.272 8.282 -4.215 1.00 0.20 H new ATOM 868 N VAL A 62 -3.071 9.865 -0.666 1.00 0.14 N ATOM 869 CA VAL A 62 -3.933 9.059 0.166 1.00 0.13 C ATOM 870 C VAL A 62 -5.383 9.361 -0.139 1.00 0.19 C ATOM 871 O VAL A 62 -6.241 8.483 -0.144 1.00 0.24 O ATOM 872 CB VAL A 62 -3.617 9.352 1.638 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.595 8.685 2.563 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.230 8.883 1.958 1.00 0.12 C ATOM 0 H VAL A 62 -2.502 10.532 -0.145 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.759 8.002 -0.036 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.695 10.429 1.786 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.336 8.918 3.596 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.601 9.047 2.351 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.559 7.606 2.414 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.008 9.092 3.004 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -2.158 7.810 1.779 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.514 9.405 1.323 1.00 0.12 H new ATOM 884 N ASN A 63 -5.634 10.612 -0.431 1.00 0.23 N ATOM 885 CA ASN A 63 -6.971 11.060 -0.763 1.00 0.28 C ATOM 886 C ASN A 63 -7.332 10.680 -2.200 1.00 0.26 C ATOM 887 O ASN A 63 -8.506 10.632 -2.565 1.00 0.32 O ATOM 888 CB ASN A 63 -7.067 12.566 -0.564 1.00 0.39 C ATOM 889 CG ASN A 63 -8.485 13.091 -0.686 1.00 0.56 C ATOM 890 OD1 ASN A 63 -8.944 13.447 -1.774 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.190 13.140 0.431 1.00 1.20 N ATOM 0 H ASN A 63 -4.927 11.347 -0.447 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.683 10.567 -0.101 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -6.674 12.823 0.420 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.436 13.065 -1.300 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.151 13.482 0.413 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -8.773 12.836 1.311 1.00 1.20 H new ATOM 898 N SER A 64 -6.317 10.394 -3.010 1.00 0.25 N ATOM 899 CA SER A 64 -6.535 9.965 -4.389 1.00 0.30 C ATOM 900 C SER A 64 -6.643 8.453 -4.425 1.00 0.28 C ATOM 901 O SER A 64 -7.087 7.855 -5.407 1.00 0.39 O ATOM 902 CB SER A 64 -5.381 10.411 -5.288 1.00 0.38 C ATOM 903 OG SER A 64 -5.655 10.105 -6.642 1.00 1.17 O ATOM 0 H SER A 64 -5.336 10.451 -2.736 1.00 0.25 H new ATOM 0 HA SER A 64 -7.455 10.420 -4.756 1.00 0.30 H new ATOM 0 HB2 SER A 64 -5.221 11.484 -5.178 1.00 0.38 H new ATOM 0 HB3 SER A 64 -4.460 9.918 -4.978 1.00 0.38 H new ATOM 0 HG SER A 64 -6.324 9.390 -6.687 1.00 1.17 H new ATOM 909 N LEU A 65 -6.237 7.862 -3.327 1.00 0.21 N ATOM 910 CA LEU A 65 -6.194 6.432 -3.165 1.00 0.20 C ATOM 911 C LEU A 65 -7.516 5.875 -2.701 1.00 0.20 C ATOM 912 O LEU A 65 -8.371 6.605 -2.203 1.00 0.22 O ATOM 913 CB LEU A 65 -5.144 6.110 -2.128 1.00 0.21 C ATOM 914 CG LEU A 65 -3.876 5.518 -2.684 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.709 5.877 -1.798 1.00 0.18 C ATOM 916 CD2 LEU A 65 -4.029 4.014 -2.802 1.00 0.71 C ATOM 0 H LEU A 65 -5.921 8.375 -2.504 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.962 5.982 -4.131 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.896 7.022 -1.585 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -5.568 5.414 -1.404 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.685 5.926 -3.677 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.795 5.445 -2.207 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.608 6.961 -1.751 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.879 5.484 -0.796 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -3.111 3.585 -3.204 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -4.226 3.590 -1.817 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -4.860 3.784 -3.469 1.00 0.71 H new ATOM 928 N ALA A 66 -7.688 4.577 -2.913 1.00 0.21 N ATOM 929 CA ALA A 66 -8.820 3.864 -2.365 1.00 0.21 C ATOM 930 C ALA A 66 -8.891 4.079 -0.875 1.00 0.17 C ATOM 931 O ALA A 66 -7.870 4.059 -0.181 1.00 0.15 O ATOM 932 CB ALA A 66 -8.725 2.377 -2.646 1.00 0.23 C ATOM 0 H ALA A 66 -7.052 4.000 -3.463 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.719 4.252 -2.843 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.591 1.870 -2.221 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.700 2.211 -3.723 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.815 1.979 -2.197 1.00 0.23 H new ATOM 938 N LYS A 67 -10.089 4.281 -0.388 1.00 0.21 N ATOM 939 CA LYS A 67 -10.293 4.536 1.012 1.00 0.22 C ATOM 940 C LYS A 67 -11.117 3.423 1.622 1.00 0.29 C ATOM 941 O LYS A 67 -12.154 3.037 1.082 1.00 0.38 O ATOM 942 CB LYS A 67 -10.984 5.880 1.223 1.00 0.26 C ATOM 943 CG LYS A 67 -10.349 7.040 0.463 1.00 0.26 C ATOM 944 CD LYS A 67 -8.852 7.172 0.718 1.00 0.35 C ATOM 945 CE LYS A 67 -8.536 7.797 2.069 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.225 9.098 2.262 1.00 0.20 N ATOM 0 H LYS A 67 -10.942 4.273 -0.946 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.321 4.572 1.503 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -12.027 5.790 0.920 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -10.981 6.114 2.288 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.519 6.904 -0.605 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.844 7.968 0.749 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.390 6.186 0.662 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.406 7.778 -0.071 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -8.831 7.111 2.863 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -7.459 7.942 2.157 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.732 9.647 2.995 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.219 9.630 1.368 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -10.208 8.930 2.558 1.00 0.20 H new ATOM 960 N ASP A 68 -10.645 2.908 2.737 1.00 0.30 N ATOM 961 CA ASP A 68 -11.341 1.840 3.427 1.00 0.42 C ATOM 962 C ASP A 68 -12.365 2.438 4.382 1.00 0.49 C ATOM 963 O ASP A 68 -12.158 3.523 4.928 1.00 0.64 O ATOM 964 CB ASP A 68 -10.364 0.949 4.193 1.00 0.50 C ATOM 965 CG ASP A 68 -11.077 -0.170 4.912 1.00 1.21 C ATOM 966 OD1 ASP A 68 -10.640 -0.550 6.017 1.00 1.35 O ATOM 967 OD2 ASP A 68 -12.092 -0.662 4.383 1.00 2.24 O ATOM 0 H ASP A 68 -9.781 3.211 3.187 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.848 1.220 2.687 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -9.634 0.530 3.501 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.811 1.551 4.914 1.00 0.50 H new ATOM 972 N LYS A 69 -13.461 1.724 4.584 1.00 0.58 N ATOM 973 CA LYS A 69 -14.591 2.259 5.328 1.00 0.74 C ATOM 974 C LYS A 69 -14.412 2.138 6.829 1.00 0.70 C ATOM 975 O LYS A 69 -14.710 3.076 7.564 1.00 0.84 O ATOM 976 CB LYS A 69 -15.895 1.581 4.917 1.00 0.94 C ATOM 977 CG LYS A 69 -15.793 0.076 4.753 1.00 0.98 C ATOM 978 CD LYS A 69 -15.675 -0.303 3.288 1.00 1.81 C ATOM 979 CE LYS A 69 -16.941 0.057 2.527 1.00 2.24 C ATOM 980 NZ LYS A 69 -16.859 -0.312 1.090 1.00 3.13 N ATOM 0 H LYS A 69 -13.592 0.772 4.243 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.639 3.319 5.079 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -16.657 1.802 5.664 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -16.235 2.015 3.977 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -14.926 -0.295 5.300 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -16.672 -0.401 5.187 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -14.822 0.210 2.844 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -15.485 -1.373 3.200 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -17.792 -0.450 2.982 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -17.123 1.128 2.615 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -17.768 -0.110 0.627 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -16.107 0.241 0.632 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -16.644 -1.326 1.004 1.00 3.13 H new ATOM 994 N SER A 70 -13.940 0.995 7.294 1.00 0.59 N ATOM 995 CA SER A 70 -13.888 0.755 8.721 1.00 0.65 C ATOM 996 C SER A 70 -12.477 0.906 9.260 1.00 0.70 C ATOM 997 O SER A 70 -12.271 1.430 10.356 1.00 0.87 O ATOM 998 CB SER A 70 -14.422 -0.644 9.036 1.00 0.65 C ATOM 999 OG SER A 70 -13.647 -1.640 8.387 1.00 1.13 O ATOM 0 H SER A 70 -13.593 0.231 6.714 1.00 0.59 H new ATOM 0 HA SER A 70 -14.514 1.501 9.209 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.406 -0.810 10.113 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.461 -0.721 8.717 1.00 0.65 H new ATOM 0 HG SER A 70 -13.982 -1.773 7.476 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.502 0.464 8.475 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.133 0.431 8.951 1.00 0.73 C ATOM 1007 C GLY A 71 -9.977 -0.539 10.110 1.00 0.69 C ATOM 1008 O GLY A 71 -9.015 -0.460 10.873 1.00 0.76 O ATOM 0 H GLY A 71 -11.634 0.129 7.521 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.469 0.139 8.137 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -9.831 1.430 9.266 1.00 0.73 H new ATOM 1012 N ASN A 72 -10.933 -1.459 10.228 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.027 -2.360 11.379 1.00 0.68 C ATOM 1014 C ASN A 72 -9.826 -3.297 11.479 1.00 0.62 C ATOM 1015 O ASN A 72 -9.434 -3.701 12.575 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.336 -3.159 11.306 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.367 -4.349 12.251 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -12.018 -5.466 11.867 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -12.779 -4.122 13.487 1.00 1.67 N ATOM 0 H ASN A 72 -11.664 -1.602 9.531 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.025 -1.750 12.282 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.171 -2.498 11.538 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -12.482 -3.511 10.285 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -12.816 -4.887 14.161 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -13.060 -3.182 13.766 1.00 1.67 H new ATOM 1026 N SER A 73 -9.229 -3.626 10.347 1.00 0.68 N ATOM 1027 CA SER A 73 -8.074 -4.510 10.340 1.00 0.70 C ATOM 1028 C SER A 73 -6.788 -3.694 10.434 1.00 0.61 C ATOM 1029 O SER A 73 -5.687 -4.240 10.317 1.00 0.64 O ATOM 1030 CB SER A 73 -8.073 -5.369 9.069 1.00 0.92 C ATOM 1031 OG SER A 73 -7.084 -6.387 9.129 1.00 1.74 O ATOM 0 H SER A 73 -9.521 -3.298 9.426 1.00 0.68 H new ATOM 0 HA SER A 73 -8.130 -5.171 11.205 1.00 0.70 H new ATOM 0 HB2 SER A 73 -9.055 -5.822 8.934 1.00 0.92 H new ATOM 0 HB3 SER A 73 -7.892 -4.735 8.201 1.00 0.92 H new ATOM 0 HG SER A 73 -6.251 -6.013 9.485 1.00 1.74 H new ATOM 1037 N SER A 74 -6.950 -2.389 10.679 1.00 0.56 N ATOM 1038 CA SER A 74 -5.850 -1.429 10.664 1.00 0.56 C ATOM 1039 C SER A 74 -5.354 -1.239 9.235 1.00 0.57 C ATOM 1040 O SER A 74 -5.425 -2.153 8.417 1.00 1.03 O ATOM 1041 CB SER A 74 -4.702 -1.870 11.588 1.00 0.67 C ATOM 1042 OG SER A 74 -3.673 -0.893 11.642 1.00 1.30 O ATOM 0 H SER A 74 -7.855 -1.971 10.894 1.00 0.56 H new ATOM 0 HA SER A 74 -6.220 -0.476 11.043 1.00 0.56 H new ATOM 0 HB2 SER A 74 -5.089 -2.048 12.591 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.290 -2.815 11.233 1.00 0.67 H new ATOM 0 HG SER A 74 -2.959 -1.202 12.238 1.00 1.30 H new ATOM 1048 N THR A 75 -4.894 -0.044 8.923 1.00 0.33 N ATOM 1049 CA THR A 75 -4.381 0.224 7.593 1.00 0.26 C ATOM 1050 C THR A 75 -3.210 1.209 7.638 1.00 0.25 C ATOM 1051 O THR A 75 -2.451 1.317 6.675 1.00 0.24 O ATOM 1052 CB THR A 75 -5.501 0.751 6.664 1.00 0.25 C ATOM 1053 OG1 THR A 75 -5.123 0.618 5.288 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.808 2.207 6.954 1.00 0.28 C ATOM 0 H THR A 75 -4.864 0.749 9.563 1.00 0.33 H new ATOM 0 HA THR A 75 -4.013 -0.718 7.185 1.00 0.26 H new ATOM 0 HB THR A 75 -6.392 0.153 6.855 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.643 1.246 4.744 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.598 2.552 6.287 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.135 2.311 7.989 1.00 0.28 H new ATOM 0 HG23 THR A 75 -4.912 2.807 6.795 1.00 0.28 H new ATOM 1062 N SER A 76 -3.071 1.929 8.760 1.00 0.27 N ATOM 1063 CA SER A 76 -1.983 2.894 8.963 1.00 0.29 C ATOM 1064 C SER A 76 -2.151 4.138 8.080 1.00 0.24 C ATOM 1065 O SER A 76 -1.923 5.264 8.532 1.00 0.29 O ATOM 1066 CB SER A 76 -0.617 2.236 8.722 1.00 0.35 C ATOM 1067 OG SER A 76 -0.423 1.131 9.593 1.00 0.94 O ATOM 0 H SER A 76 -3.710 1.858 9.552 1.00 0.27 H new ATOM 0 HA SER A 76 -2.030 3.222 10.001 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.547 1.904 7.686 1.00 0.35 H new ATOM 0 HB3 SER A 76 0.176 2.968 8.876 1.00 0.35 H new ATOM 0 HG SER A 76 0.453 0.727 9.419 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.549 3.933 6.829 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.833 5.033 5.918 1.00 0.15 C ATOM 1075 C ALA A 77 -4.100 5.747 6.347 1.00 0.16 C ATOM 1076 O ALA A 77 -5.082 5.105 6.707 1.00 0.24 O ATOM 1077 CB ALA A 77 -3.002 4.518 4.501 1.00 0.14 C ATOM 0 H ALA A 77 -2.683 3.007 6.422 1.00 0.17 H new ATOM 0 HA ALA A 77 -1.994 5.729 5.946 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.214 5.353 3.833 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -2.085 4.022 4.182 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.829 3.808 4.468 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.097 7.081 6.334 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.280 7.855 6.705 1.00 0.16 C ATOM 1085 C PRO A 78 -6.482 7.519 5.821 1.00 0.16 C ATOM 1086 O PRO A 78 -6.557 7.929 4.665 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.822 9.297 6.480 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.346 9.248 6.599 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.948 7.940 6.001 1.00 0.17 C ATOM 0 HA PRO A 78 -5.616 7.654 7.722 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.128 9.661 5.499 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.256 9.970 7.219 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.881 10.080 6.071 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.033 9.316 7.641 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.795 8.015 4.924 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.020 7.562 6.430 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.430 6.787 6.397 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.646 6.394 5.698 1.00 0.22 C ATOM 1099 C GLY A 79 -8.430 5.520 4.460 1.00 0.17 C ATOM 1100 O GLY A 79 -9.395 5.118 3.823 1.00 0.20 O ATOM 0 H GLY A 79 -7.376 6.451 7.359 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.290 5.857 6.395 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.182 7.295 5.399 1.00 0.22 H new ATOM 1104 N SER A 80 -7.184 5.218 4.120 1.00 0.17 N ATOM 1105 CA SER A 80 -6.866 4.555 2.858 1.00 0.14 C ATOM 1106 C SER A 80 -6.825 3.041 2.957 1.00 0.21 C ATOM 1107 O SER A 80 -6.773 2.461 4.036 1.00 0.49 O ATOM 1108 CB SER A 80 -5.535 5.072 2.353 1.00 0.18 C ATOM 1109 OG SER A 80 -5.712 6.019 1.317 1.00 0.58 O ATOM 0 H SER A 80 -6.372 5.422 4.702 1.00 0.17 H new ATOM 0 HA SER A 80 -7.670 4.791 2.161 1.00 0.14 H new ATOM 0 HB2 SER A 80 -4.984 5.528 3.175 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.933 4.239 1.989 1.00 0.18 H new ATOM 0 HG SER A 80 -5.023 5.887 0.632 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.841 2.419 1.788 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.882 0.976 1.669 1.00 0.17 C ATOM 1117 C ALA A 81 -5.520 0.399 1.315 1.00 0.17 C ATOM 1118 O ALA A 81 -5.410 -0.459 0.439 1.00 0.21 O ATOM 1119 CB ALA A 81 -7.900 0.591 0.611 1.00 0.21 C ATOM 0 H ALA A 81 -6.826 2.907 0.892 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.171 0.562 2.635 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.935 -0.494 0.517 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.883 0.962 0.900 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.614 1.029 -0.345 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.470 0.880 1.961 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.155 0.290 1.782 1.00 0.19 C ATOM 1127 C HIS A 82 -2.348 0.322 3.066 1.00 0.19 C ATOM 1128 O HIS A 82 -2.154 1.375 3.673 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.378 0.963 0.649 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.450 0.251 -0.662 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -1.667 -0.836 -0.974 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.203 0.498 -1.759 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -1.932 -1.228 -2.206 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -2.862 -0.436 -2.706 1.00 0.88 N ATOM 0 H HIS A 82 -4.502 1.669 2.607 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.317 -0.752 1.507 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.757 1.977 0.518 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.332 1.049 0.944 1.00 0.19 H new ATOM 0 HD2 HIS A 82 -3.936 1.284 -1.869 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -1.467 -2.057 -2.719 1.00 0.88 H new ATOM 0 HE2 HIS A 82 -3.262 -0.506 -3.642 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.858 -0.848 3.438 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.071 -1.036 4.641 1.00 0.25 C ATOM 1145 C GLN A 83 0.016 -2.047 4.359 1.00 0.22 C ATOM 1146 O GLN A 83 -0.266 -3.169 3.969 1.00 0.20 O ATOM 1147 CB GLN A 83 -1.961 -1.543 5.771 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.204 -1.959 7.026 1.00 0.74 C ATOM 1149 CD GLN A 83 -2.081 -2.692 8.026 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -1.863 -2.619 9.235 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -3.073 -3.418 7.533 1.00 2.09 N ATOM 0 H GLN A 83 -1.999 -1.706 2.904 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.628 -0.086 4.941 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.675 -0.763 6.033 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.538 -2.394 5.410 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -0.368 -2.599 6.745 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -0.782 -1.073 7.501 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -3.225 -3.456 6.525 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -3.685 -3.939 8.161 1.00 2.09 H new ATOM 1160 N ILE A 84 1.247 -1.647 4.532 1.00 0.23 N ATOM 1161 CA ILE A 84 2.358 -2.503 4.232 1.00 0.21 C ATOM 1162 C ILE A 84 2.788 -3.334 5.433 1.00 0.25 C ATOM 1163 O ILE A 84 2.879 -2.841 6.558 1.00 0.29 O ATOM 1164 CB ILE A 84 3.500 -1.647 3.694 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.187 -1.325 2.241 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.851 -2.332 3.841 1.00 0.29 C ATOM 1167 CD1 ILE A 84 3.130 0.153 1.940 1.00 0.20 C ATOM 0 H ILE A 84 1.505 -0.725 4.883 1.00 0.23 H new ATOM 0 HA ILE A 84 2.056 -3.224 3.472 1.00 0.21 H new ATOM 0 HB ILE A 84 3.577 -0.728 4.275 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.943 -1.786 1.606 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.231 -1.777 1.977 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.633 -1.684 3.444 1.00 0.29 H new ATOM 0 HG22 ILE A 84 5.045 -2.531 4.895 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.844 -3.272 3.289 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.902 0.301 0.884 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.354 0.618 2.547 1.00 0.20 H new ATOM 0 HD13 ILE A 84 4.093 0.609 2.171 1.00 0.20 H new ATOM 1179 N ASP A 85 3.029 -4.606 5.170 1.00 0.28 N ATOM 1180 CA ASP A 85 3.471 -5.544 6.183 1.00 0.32 C ATOM 1181 C ASP A 85 4.981 -5.536 6.243 1.00 0.38 C ATOM 1182 O ASP A 85 5.632 -5.987 5.313 1.00 0.37 O ATOM 1183 CB ASP A 85 2.998 -6.957 5.838 1.00 0.27 C ATOM 1184 CG ASP A 85 3.153 -7.917 6.994 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.222 -8.013 7.820 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.209 -8.576 7.086 1.00 0.54 O ATOM 0 H ASP A 85 2.923 -5.018 4.243 1.00 0.28 H new ATOM 0 HA ASP A 85 3.052 -5.249 7.145 1.00 0.32 H new ATOM 0 HB2 ASP A 85 1.951 -6.923 5.536 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.564 -7.328 4.984 1.00 0.27 H new ATOM 1191 N THR A 86 5.544 -5.021 7.313 1.00 0.49 N ATOM 1192 CA THR A 86 6.983 -4.936 7.423 1.00 0.58 C ATOM 1193 C THR A 86 7.565 -6.228 7.978 1.00 0.57 C ATOM 1194 O THR A 86 8.751 -6.519 7.803 1.00 0.63 O ATOM 1195 CB THR A 86 7.387 -3.747 8.296 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.812 -3.866 9.605 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.920 -2.462 7.644 1.00 0.82 C ATOM 0 H THR A 86 5.031 -4.656 8.116 1.00 0.49 H new ATOM 0 HA THR A 86 7.389 -4.784 6.423 1.00 0.58 H new ATOM 0 HB THR A 86 8.472 -3.734 8.395 1.00 0.75 H new ATOM 0 HG1 THR A 86 7.081 -3.099 10.152 1.00 0.81 H new ATOM 0 HG21 THR A 86 7.207 -1.614 8.265 1.00 0.82 H new ATOM 0 HG22 THR A 86 7.381 -2.364 6.661 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.836 -2.482 7.536 1.00 0.82 H new ATOM 1205 N THR A 87 6.716 -6.998 8.639 1.00 0.52 N ATOM 1206 CA THR A 87 7.083 -8.310 9.134 1.00 0.54 C ATOM 1207 C THR A 87 7.569 -9.194 7.987 1.00 0.50 C ATOM 1208 O THR A 87 8.695 -9.693 8.003 1.00 0.54 O ATOM 1209 CB THR A 87 5.883 -8.983 9.827 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.441 -8.185 10.938 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.248 -10.377 10.305 1.00 0.58 C ATOM 0 H THR A 87 5.754 -6.729 8.846 1.00 0.52 H new ATOM 0 HA THR A 87 7.888 -8.185 9.858 1.00 0.54 H new ATOM 0 HB THR A 87 5.074 -9.067 9.102 1.00 0.58 H new ATOM 0 HG1 THR A 87 4.677 -8.621 11.370 1.00 0.71 H new ATOM 0 HG21 THR A 87 5.385 -10.832 10.791 1.00 0.58 H new ATOM 0 HG22 THR A 87 6.548 -10.987 9.453 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.073 -10.314 11.015 1.00 0.58 H new ATOM 1219 N ASN A 88 6.719 -9.363 6.986 1.00 0.47 N ATOM 1220 CA ASN A 88 7.051 -10.171 5.821 1.00 0.53 C ATOM 1221 C ASN A 88 7.638 -9.299 4.719 1.00 0.52 C ATOM 1222 O ASN A 88 8.264 -9.796 3.786 1.00 0.64 O ATOM 1223 CB ASN A 88 5.809 -10.896 5.301 1.00 0.59 C ATOM 1224 CG ASN A 88 5.227 -11.868 6.310 1.00 0.76 C ATOM 1225 OD1 ASN A 88 5.555 -13.053 6.310 1.00 1.26 O ATOM 1226 ND2 ASN A 88 4.354 -11.374 7.177 1.00 1.50 N ATOM 0 H ASN A 88 5.788 -8.948 6.957 1.00 0.47 H new ATOM 0 HA ASN A 88 7.793 -10.911 6.120 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.050 -10.160 5.033 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.065 -11.436 4.389 1.00 0.59 H new ATOM 0 HD21 ASN A 88 3.929 -11.983 7.876 1.00 1.50 H new ATOM 0 HD22 ASN A 88 4.107 -10.385 7.145 1.00 1.50 H new ATOM 1233 N HIS A 89 7.410 -7.991 4.856 1.00 0.47 N ATOM 1234 CA HIS A 89 7.922 -6.976 3.929 1.00 0.53 C ATOM 1235 C HIS A 89 7.141 -6.987 2.624 1.00 0.43 C ATOM 1236 O HIS A 89 7.707 -6.945 1.531 1.00 0.45 O ATOM 1237 CB HIS A 89 9.420 -7.143 3.680 1.00 0.72 C ATOM 1238 CG HIS A 89 10.269 -6.412 4.671 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.439 -6.925 5.189 1.00 1.28 N ATOM 1240 CD2 HIS A 89 10.122 -5.185 5.224 1.00 0.96 C ATOM 1241 CE1 HIS A 89 11.973 -6.046 6.018 1.00 1.48 C ATOM 1242 NE2 HIS A 89 11.194 -4.984 6.055 1.00 1.26 N ATOM 0 H HIS A 89 6.859 -7.601 5.621 1.00 0.47 H new ATOM 0 HA HIS A 89 7.780 -6.002 4.398 1.00 0.53 H new ATOM 0 HB2 HIS A 89 9.670 -8.203 3.710 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.657 -6.788 2.677 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.312 -4.494 5.044 1.00 0.96 H new ATOM 0 HE1 HIS A 89 12.891 -6.176 6.571 1.00 1.48 H new ATOM 0 HE2 HIS A 89 11.362 -4.146 6.613 1.00 1.26 H new ATOM 1251 N LYS A 90 5.828 -7.014 2.771 1.00 0.35 N ATOM 1252 CA LYS A 90 4.912 -7.023 1.652 1.00 0.28 C ATOM 1253 C LYS A 90 4.110 -5.729 1.578 1.00 0.23 C ATOM 1254 O LYS A 90 3.775 -5.129 2.596 1.00 0.26 O ATOM 1255 CB LYS A 90 3.966 -8.200 1.819 1.00 0.30 C ATOM 1256 CG LYS A 90 4.464 -9.485 1.184 1.00 0.33 C ATOM 1257 CD LYS A 90 3.515 -10.639 1.452 1.00 0.32 C ATOM 1258 CE LYS A 90 3.290 -10.835 2.941 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.411 -12.001 3.218 1.00 0.44 N ATOM 0 H LYS A 90 5.367 -7.030 3.681 1.00 0.35 H new ATOM 0 HA LYS A 90 5.483 -7.112 0.728 1.00 0.28 H new ATOM 0 HB2 LYS A 90 3.801 -8.372 2.883 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.000 -7.942 1.384 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.572 -9.343 0.109 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.452 -9.726 1.575 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.561 -10.450 0.960 1.00 0.32 H new ATOM 0 HD3 LYS A 90 3.921 -11.554 1.020 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.250 -10.977 3.438 1.00 0.34 H new ATOM 0 HE3 LYS A 90 2.843 -9.935 3.363 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 2.281 -12.102 4.245 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.486 -11.854 2.765 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 2.849 -12.864 2.838 1.00 0.44 H new ATOM 1273 N LEU A 91 3.801 -5.319 0.362 1.00 0.20 N ATOM 1274 CA LEU A 91 2.934 -4.178 0.123 1.00 0.17 C ATOM 1275 C LEU A 91 1.509 -4.696 -0.016 1.00 0.14 C ATOM 1276 O LEU A 91 1.120 -5.246 -1.042 1.00 0.17 O ATOM 1277 CB LEU A 91 3.412 -3.403 -1.127 1.00 0.26 C ATOM 1278 CG LEU A 91 2.616 -2.153 -1.589 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.342 -1.899 -0.801 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.483 -0.923 -1.527 1.00 0.16 C ATOM 0 H LEU A 91 4.143 -5.767 -0.488 1.00 0.20 H new ATOM 0 HA LEU A 91 2.968 -3.473 0.953 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.440 -3.090 -0.946 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.434 -4.105 -1.960 1.00 0.26 H new ATOM 0 HG LEU A 91 2.317 -2.367 -2.615 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.847 -1.008 -1.187 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.676 -2.756 -0.900 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.588 -1.750 0.250 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.909 -0.056 -1.854 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.822 -0.768 -0.503 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.347 -1.053 -2.179 1.00 0.16 H new ATOM 1292 N ILE A 92 0.755 -4.495 1.045 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.617 -4.935 1.153 1.00 0.16 C ATOM 1294 C ILE A 92 -1.581 -3.781 0.912 1.00 0.17 C ATOM 1295 O ILE A 92 -1.272 -2.623 1.210 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.847 -5.501 2.575 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.347 -6.938 2.681 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.303 -5.414 3.023 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.133 -7.044 2.896 1.00 0.22 C ATOM 0 H ILE A 92 1.090 -4.008 1.876 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.802 -5.701 0.399 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.267 -4.871 3.249 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.862 -7.433 3.504 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.613 -7.475 1.770 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.400 -5.826 4.027 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.621 -4.371 3.027 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.930 -5.982 2.336 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.417 -8.094 2.962 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.656 -6.578 2.061 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.403 -6.536 3.822 1.00 0.22 H new ATOM 1311 N SER A 93 -2.721 -4.083 0.329 1.00 0.20 N ATOM 1312 CA SER A 93 -3.834 -3.171 0.379 1.00 0.26 C ATOM 1313 C SER A 93 -4.836 -3.703 1.381 1.00 0.37 C ATOM 1314 O SER A 93 -5.282 -4.837 1.259 1.00 0.61 O ATOM 1315 CB SER A 93 -4.488 -3.005 -0.988 1.00 0.40 C ATOM 1316 OG SER A 93 -5.246 -4.135 -1.348 1.00 1.41 O ATOM 0 H SER A 93 -2.897 -4.948 -0.181 1.00 0.20 H new ATOM 0 HA SER A 93 -3.477 -2.187 0.682 1.00 0.26 H new ATOM 0 HB2 SER A 93 -5.131 -2.125 -0.978 1.00 0.40 H new ATOM 0 HB3 SER A 93 -3.718 -2.830 -1.740 1.00 0.40 H new ATOM 0 HG SER A 93 -6.133 -4.079 -0.935 1.00 1.41 H new ATOM 1322 N THR A 94 -5.163 -2.933 2.392 1.00 0.34 N ATOM 1323 CA THR A 94 -6.109 -3.404 3.363 1.00 0.38 C ATOM 1324 C THR A 94 -7.443 -2.738 3.161 1.00 0.42 C ATOM 1325 O THR A 94 -7.598 -1.535 3.358 1.00 0.49 O ATOM 1326 CB THR A 94 -5.628 -3.179 4.798 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.354 -3.815 4.987 1.00 0.45 O ATOM 1328 CG2 THR A 94 -6.642 -3.746 5.781 1.00 0.48 C ATOM 0 H THR A 94 -4.794 -1.997 2.558 1.00 0.34 H new ATOM 0 HA THR A 94 -6.211 -4.479 3.214 1.00 0.38 H new ATOM 0 HB THR A 94 -5.524 -2.109 4.976 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.459 -4.588 5.580 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.292 -3.582 6.800 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.601 -3.248 5.642 1.00 0.48 H new ATOM 0 HG23 THR A 94 -6.760 -4.815 5.606 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.390 -3.535 2.737 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.740 -3.081 2.573 1.00 0.50 C ATOM 1338 C PHE A 95 -10.621 -3.824 3.544 1.00 0.53 C ATOM 1339 O PHE A 95 -10.982 -4.965 3.273 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.203 -3.393 1.170 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.414 -2.611 0.765 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.681 -3.008 1.163 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.280 -1.466 -0.003 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.790 -2.275 0.800 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -12.389 -0.732 -0.370 1.00 1.13 C ATOM 1346 CZ PHE A 95 -13.644 -1.137 0.034 1.00 1.23 C ATOM 0 H PHE A 95 -8.244 -4.515 2.497 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.793 -2.007 2.753 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.393 -3.185 0.471 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.423 -4.458 1.095 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.800 -3.899 1.762 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.298 -1.145 -0.317 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.773 -2.591 1.115 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -12.275 0.157 -0.972 1.00 1.13 H new ATOM 0 HZ PHE A 95 -14.513 -0.563 -0.250 1.00 1.23 H new ATOM 1356 N THR A 96 -10.983 -3.202 4.646 1.00 0.60 N ATOM 1357 CA THR A 96 -11.752 -3.886 5.660 1.00 0.69 C ATOM 1358 C THR A 96 -13.247 -3.681 5.426 1.00 0.86 C ATOM 1359 O THR A 96 -13.803 -2.631 5.763 1.00 1.02 O ATOM 1360 CB THR A 96 -11.388 -3.415 7.073 1.00 0.79 C ATOM 1361 OG1 THR A 96 -10.044 -2.914 7.105 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.516 -4.569 8.046 1.00 0.74 C ATOM 0 H THR A 96 -10.758 -2.230 4.861 1.00 0.60 H new ATOM 0 HA THR A 96 -11.509 -4.946 5.583 1.00 0.69 H new ATOM 0 HB THR A 96 -12.071 -2.615 7.359 1.00 0.79 H new ATOM 0 HG1 THR A 96 -10.053 -1.945 6.961 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.256 -4.230 9.049 1.00 0.74 H new ATOM 0 HG22 THR A 96 -12.542 -4.937 8.042 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.842 -5.372 7.749 1.00 0.74 H new ATOM 1440 N ALA A 103 -10.142 -8.655 4.838 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.863 -7.491 4.016 1.00 0.61 C ATOM 1442 C ALA A 103 -9.379 -7.887 2.644 1.00 0.58 C ATOM 1443 O ALA A 103 -8.765 -8.935 2.443 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.856 -6.583 4.695 1.00 0.52 C ATOM 0 HA ALA A 103 -10.797 -6.943 3.894 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.662 -5.717 4.062 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.255 -6.250 5.653 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.927 -7.129 4.859 1.00 0.52 H new ATOM 1450 N THR A 104 -9.671 -7.016 1.718 1.00 0.53 N ATOM 1451 CA THR A 104 -9.367 -7.212 0.324 1.00 0.50 C ATOM 1452 C THR A 104 -7.986 -6.646 -0.002 1.00 0.43 C ATOM 1453 O THR A 104 -7.724 -5.463 0.228 1.00 0.51 O ATOM 1454 CB THR A 104 -10.475 -6.551 -0.503 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.541 -7.477 -0.740 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.972 -5.986 -1.813 1.00 0.56 C ATOM 0 H THR A 104 -10.137 -6.130 1.914 1.00 0.53 H new ATOM 0 HA THR A 104 -9.333 -8.274 0.081 1.00 0.50 H new ATOM 0 HB THR A 104 -10.846 -5.711 0.084 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.762 -7.484 -1.695 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.801 -5.531 -2.355 1.00 0.56 H new ATOM 0 HG22 THR A 104 -9.210 -5.232 -1.615 1.00 0.56 H new ATOM 0 HG23 THR A 104 -9.542 -6.787 -2.414 1.00 0.56 H new ATOM 1464 N VAL A 105 -7.102 -7.494 -0.525 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.693 -7.142 -0.621 1.00 0.28 C ATOM 1466 C VAL A 105 -5.123 -7.278 -2.029 1.00 0.25 C ATOM 1467 O VAL A 105 -5.413 -8.228 -2.755 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.838 -8.025 0.306 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.389 -7.577 0.304 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.375 -8.042 1.728 1.00 0.35 C ATOM 0 H VAL A 105 -7.336 -8.419 -0.884 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.648 -6.094 -0.325 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.893 -9.040 -0.087 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.809 -8.219 0.967 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.989 -7.644 -0.708 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.327 -6.546 0.651 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.742 -8.677 2.348 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.376 -7.028 2.129 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.392 -8.433 1.728 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.321 -6.290 -2.388 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.436 -6.341 -3.534 1.00 0.17 C ATOM 1482 C LEU A 106 -1.997 -6.300 -3.032 1.00 0.15 C ATOM 1483 O LEU A 106 -1.536 -5.265 -2.538 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.709 -5.159 -4.470 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.916 -5.306 -5.396 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.807 -6.586 -6.208 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.219 -5.287 -4.600 1.00 0.26 C ATOM 0 H LEU A 106 -4.268 -5.409 -1.876 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.607 -7.260 -4.095 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -3.848 -4.264 -3.863 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.823 -4.994 -5.083 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.925 -4.458 -6.081 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.674 -6.677 -6.863 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.899 -6.559 -6.810 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.770 -7.442 -5.534 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -7.063 -5.393 -5.281 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.222 -6.112 -3.887 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.303 -4.343 -4.062 1.00 0.26 H new ATOM 1499 N THR A 107 -1.295 -7.417 -3.159 1.00 0.15 N ATOM 1500 CA THR A 107 -0.019 -7.599 -2.478 1.00 0.12 C ATOM 1501 C THR A 107 1.179 -7.554 -3.429 1.00 0.12 C ATOM 1502 O THR A 107 1.079 -7.892 -4.609 1.00 0.19 O ATOM 1503 CB THR A 107 0.008 -8.941 -1.724 1.00 0.17 C ATOM 1504 OG1 THR A 107 -1.214 -9.121 -1.005 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.178 -9.006 -0.746 1.00 0.24 C ATOM 0 H THR A 107 -1.587 -8.212 -3.728 1.00 0.15 H new ATOM 0 HA THR A 107 0.068 -6.765 -1.782 1.00 0.12 H new ATOM 0 HB THR A 107 0.128 -9.734 -2.462 1.00 0.17 H new ATOM 0 HG1 THR A 107 -1.190 -9.977 -0.529 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.168 -9.966 -0.230 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.115 -8.897 -1.292 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.088 -8.201 -0.016 1.00 0.24 H new ATOM 1513 N TYR A 108 2.302 -7.112 -2.884 1.00 0.13 N ATOM 1514 CA TYR A 108 3.589 -7.125 -3.561 1.00 0.15 C ATOM 1515 C TYR A 108 4.676 -7.449 -2.540 1.00 0.17 C ATOM 1516 O TYR A 108 4.553 -7.077 -1.382 1.00 0.20 O ATOM 1517 CB TYR A 108 3.842 -5.763 -4.215 1.00 0.17 C ATOM 1518 CG TYR A 108 5.301 -5.403 -4.381 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.896 -4.479 -3.534 1.00 0.16 C ATOM 1520 CD2 TYR A 108 6.075 -5.965 -5.387 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.218 -4.121 -3.683 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.403 -5.618 -5.541 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.970 -4.693 -4.688 1.00 0.20 C ATOM 1524 OH TYR A 108 9.292 -4.341 -4.844 1.00 0.23 O ATOM 0 H TYR A 108 2.345 -6.727 -1.940 1.00 0.13 H new ATOM 0 HA TYR A 108 3.597 -7.884 -4.344 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.365 -5.752 -5.195 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.357 -4.992 -3.616 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.312 -4.032 -2.743 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.632 -6.685 -6.060 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.663 -3.397 -3.017 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.994 -6.068 -6.325 1.00 0.21 H new ATOM 0 HH TYR A 108 9.676 -4.837 -5.597 1.00 0.23 H new ATOM 1534 N ASP A 109 5.723 -8.142 -2.951 1.00 0.17 N ATOM 1535 CA ASP A 109 6.788 -8.509 -2.022 1.00 0.19 C ATOM 1536 C ASP A 109 8.078 -7.774 -2.376 1.00 0.23 C ATOM 1537 O ASP A 109 8.610 -7.941 -3.474 1.00 0.29 O ATOM 1538 CB ASP A 109 7.029 -10.020 -2.064 1.00 0.23 C ATOM 1539 CG ASP A 109 7.555 -10.561 -0.750 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.426 -9.912 -0.137 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.110 -11.652 -0.331 1.00 1.85 O ATOM 0 H ASP A 109 5.862 -8.461 -3.910 1.00 0.17 H new ATOM 0 HA ASP A 109 6.481 -8.223 -1.016 1.00 0.19 H new ATOM 0 HB2 ASP A 109 6.097 -10.526 -2.314 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.740 -10.249 -2.858 1.00 0.23 H new ATOM 1546 N TRP A 110 8.573 -6.952 -1.452 1.00 0.24 N ATOM 1547 CA TRP A 110 9.813 -6.212 -1.683 1.00 0.30 C ATOM 1548 C TRP A 110 11.025 -7.079 -1.356 1.00 0.43 C ATOM 1549 O TRP A 110 12.016 -7.082 -2.090 1.00 0.52 O ATOM 1550 CB TRP A 110 9.841 -4.901 -0.873 1.00 0.26 C ATOM 1551 CG TRP A 110 11.229 -4.362 -0.644 1.00 0.30 C ATOM 1552 CD1 TRP A 110 12.042 -3.758 -1.562 1.00 0.74 C ATOM 1553 CD2 TRP A 110 11.966 -4.383 0.587 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.239 -3.416 -0.976 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.214 -3.789 0.339 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.692 -4.849 1.873 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.185 -3.651 1.329 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.657 -4.710 2.854 1.00 2.91 C ATOM 1559 CH2 TRP A 110 13.890 -4.116 2.578 1.00 2.54 C ATOM 0 H TRP A 110 8.139 -6.782 -0.544 1.00 0.24 H new ATOM 0 HA TRP A 110 9.855 -5.949 -2.740 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.250 -4.149 -1.395 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.362 -5.070 0.092 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.783 -3.576 -2.595 1.00 0.74 H new ATOM 0 HE1 TRP A 110 14.019 -2.958 -1.447 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.742 -5.311 2.099 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.139 -3.192 1.115 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.453 -5.068 3.852 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.623 -4.023 3.366 1.00 2.54 H new ATOM 1570 N SER A 111 10.948 -7.816 -0.260 1.00 0.53 N ATOM 1571 CA SER A 111 12.021 -8.705 0.129 1.00 0.69 C ATOM 1572 C SER A 111 11.998 -9.965 -0.719 1.00 0.68 C ATOM 1573 O SER A 111 13.049 -10.543 -1.004 1.00 0.85 O ATOM 1574 CB SER A 111 11.884 -9.051 1.599 1.00 0.82 C ATOM 1575 OG SER A 111 12.119 -7.919 2.415 1.00 1.56 O ATOM 0 H SER A 111 10.150 -7.813 0.375 1.00 0.53 H new ATOM 0 HA SER A 111 12.976 -8.205 -0.031 1.00 0.69 H new ATOM 0 HB2 SER A 111 10.884 -9.441 1.792 1.00 0.82 H new ATOM 0 HB3 SER A 111 12.589 -9.841 1.857 1.00 0.82 H new ATOM 0 HG SER A 111 11.874 -7.106 1.925 1.00 1.56 H new