USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 818 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 116 ASN : amide:sc= -1.53! K(o=-2.7!,f=0.63) USER MOD Set 1.2: A 118 ASN : amide:sc= -1.17! K(o=-2.7!,f=0) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.314 K(o=-0.31,f=-0.89) USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 82 HIS : no HD1:sc= 0.423 K(o=0.96,f=-4.2!) USER MOD Set 3.2: A 93 SER OG : rot -93:sc= 0.536 USER MOD Set 4.1: A 54 ASN : amide:sc= -0.254 X(o=0.36,f=0.43) USER MOD Set 4.2: A 64 SER OG : rot 140:sc= 0.618 USER MOD Set 5.1: A 33 GLN : amide:sc= -2.03! C(o=-1.1!,f=-1.1!) USER MOD Set 5.2: A 40 SER OG : rot 180:sc= 0.924 USER MOD Set 6.1: A 16 GLN : amide:sc= -1.02 K(o=-3.5,f=-9.4!) USER MOD Set 6.2: A 19 HIS : no HD1:sc= -2.45 K(o=-3.5,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 7 GLN : amide:sc= 0.416 K(o=0.42,f=-8.5!) 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 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -172:sc= -0.456 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -58:sc= 1.02 USER MOD Single : A 38 ASN : amide:sc= 0.0887 X(o=0.089,f=-0.052) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0451) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -145:sc= -3.82! (180deg=-6.83!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -1.54 (180deg=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -139:sc= -0.0782 (180deg=-1.35) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -106:sc= 0.467 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -151:sc= 1.21 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -41:sc= -0.177 USER MOD Single : A 83 GLN : amide:sc= -3.19! C(o=-3.2!,f=-2.2!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.0088) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -160:sc= -0.306 USER MOD Single : A 96 THR OG1 : rot 140:sc= 1.3 USER MOD Single : A 98 SER OG : rot 180:sc= -0.197 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot -140:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 111 SER OG : rot -152:sc= 1.29 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 6 -20.984 -4.215 -6.822 1.00 1.47 N ATOM 2 CA HIS A 6 -19.990 -5.307 -6.970 1.00 1.07 C ATOM 3 C HIS A 6 -18.614 -4.814 -6.570 1.00 0.90 C ATOM 4 O HIS A 6 -17.646 -4.948 -7.319 1.00 0.88 O ATOM 5 CB HIS A 6 -19.965 -5.824 -8.412 1.00 1.31 C ATOM 6 CG HIS A 6 -21.234 -6.502 -8.824 1.00 1.89 C ATOM 7 ND1 HIS A 6 -22.048 -6.034 -9.831 1.00 2.36 N ATOM 8 CD2 HIS A 6 -21.832 -7.619 -8.348 1.00 2.83 C ATOM 9 CE1 HIS A 6 -23.094 -6.830 -9.953 1.00 3.15 C ATOM 10 NE2 HIS A 6 -22.987 -7.800 -9.065 1.00 3.43 N ATOM 0 HA HIS A 6 -20.279 -6.128 -6.314 1.00 1.07 H new ATOM 0 HB2 HIS A 6 -19.773 -4.989 -9.086 1.00 1.31 H new ATOM 0 HB3 HIS A 6 -19.136 -6.522 -8.525 1.00 1.31 H new ATOM 0 HD2 HIS A 6 -21.467 -8.251 -7.551 1.00 2.83 H new ATOM 0 HE1 HIS A 6 -23.901 -6.708 -10.660 1.00 3.15 H new ATOM 0 HE2 HIS A 6 -23.654 -8.560 -8.933 1.00 3.43 H new ATOM 21 N GLN A 7 -18.530 -4.251 -5.373 1.00 0.86 N ATOM 22 CA GLN A 7 -17.287 -3.680 -4.893 1.00 0.74 C ATOM 23 C GLN A 7 -16.266 -4.757 -4.587 1.00 0.69 C ATOM 24 O GLN A 7 -15.077 -4.530 -4.736 1.00 0.64 O ATOM 25 CB GLN A 7 -17.520 -2.844 -3.652 1.00 0.85 C ATOM 26 CG GLN A 7 -16.239 -2.383 -2.980 1.00 0.75 C ATOM 27 CD GLN A 7 -16.499 -1.716 -1.648 1.00 1.15 C ATOM 28 OE1 GLN A 7 -16.515 -2.375 -0.608 1.00 1.96 O ATOM 29 NE2 GLN A 7 -16.699 -0.413 -1.671 1.00 1.70 N ATOM 0 H GLN A 7 -19.310 -4.179 -4.719 1.00 0.86 H new ATOM 0 HA GLN A 7 -16.898 -3.044 -5.688 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -18.115 -1.971 -3.919 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -18.106 -3.423 -2.939 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.580 -3.239 -2.833 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -15.717 -1.687 -3.637 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.676 0.091 -2.558 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -16.876 0.091 -0.802 1.00 1.70 H new ATOM 38 N ASP A 8 -16.720 -5.921 -4.153 1.00 0.78 N ATOM 39 CA ASP A 8 -15.806 -7.011 -3.837 1.00 0.84 C ATOM 40 C ASP A 8 -14.919 -7.318 -5.040 1.00 0.77 C ATOM 41 O ASP A 8 -13.715 -7.534 -4.905 1.00 0.84 O ATOM 42 CB ASP A 8 -16.581 -8.251 -3.400 1.00 1.01 C ATOM 43 CG ASP A 8 -15.683 -9.441 -3.112 1.00 1.83 C ATOM 44 OD1 ASP A 8 -15.528 -10.305 -3.999 1.00 1.78 O ATOM 45 OD2 ASP A 8 -15.138 -9.527 -1.991 1.00 2.81 O ATOM 0 H ASP A 8 -17.707 -6.137 -4.012 1.00 0.78 H new ATOM 0 HA ASP A 8 -15.168 -6.705 -3.008 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -17.160 -8.015 -2.507 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -17.294 -8.521 -4.179 1.00 1.01 H new ATOM 50 N ASN A 9 -15.526 -7.288 -6.218 1.00 0.72 N ATOM 51 CA ASN A 9 -14.793 -7.430 -7.470 1.00 0.70 C ATOM 52 C ASN A 9 -14.055 -6.145 -7.805 1.00 0.55 C ATOM 53 O ASN A 9 -12.942 -6.167 -8.336 1.00 0.53 O ATOM 54 CB ASN A 9 -15.751 -7.764 -8.610 1.00 0.80 C ATOM 55 CG ASN A 9 -16.137 -9.230 -8.645 1.00 1.28 C ATOM 56 OD1 ASN A 9 -17.131 -9.640 -8.040 1.00 2.04 O ATOM 57 ND2 ASN A 9 -15.354 -10.033 -9.349 1.00 1.78 N ATOM 0 H ASN A 9 -16.532 -7.166 -6.334 1.00 0.72 H new ATOM 0 HA ASN A 9 -14.073 -8.239 -7.349 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.652 -7.158 -8.510 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -15.288 -7.493 -9.559 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -15.564 -11.030 -9.405 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -14.541 -9.655 -9.835 1.00 1.78 H new ATOM 64 N ALA A 10 -14.693 -5.027 -7.487 1.00 0.51 N ATOM 65 CA ALA A 10 -14.150 -3.713 -7.792 1.00 0.45 C ATOM 66 C ALA A 10 -12.852 -3.464 -7.063 1.00 0.38 C ATOM 67 O ALA A 10 -11.891 -3.029 -7.671 1.00 0.35 O ATOM 68 CB ALA A 10 -15.132 -2.625 -7.429 1.00 0.49 C ATOM 0 H ALA A 10 -15.596 -5.006 -7.013 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.962 -3.692 -8.865 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.702 -1.652 -7.667 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -16.053 -2.763 -7.995 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.351 -2.674 -6.362 1.00 0.49 H new ATOM 74 N ARG A 11 -12.839 -3.732 -5.759 1.00 0.41 N ATOM 75 CA ARG A 11 -11.663 -3.502 -4.925 1.00 0.44 C ATOM 76 C ARG A 11 -10.434 -4.082 -5.587 1.00 0.35 C ATOM 77 O ARG A 11 -9.427 -3.404 -5.760 1.00 0.41 O ATOM 78 CB ARG A 11 -11.825 -4.159 -3.562 1.00 0.54 C ATOM 79 CG ARG A 11 -13.033 -3.719 -2.777 1.00 1.44 C ATOM 80 CD ARG A 11 -13.392 -4.785 -1.759 1.00 1.95 C ATOM 81 NE ARG A 11 -14.700 -4.570 -1.146 1.00 2.91 N ATOM 82 CZ ARG A 11 -15.399 -5.532 -0.548 1.00 3.53 C ATOM 83 NH1 ARG A 11 -14.894 -6.756 -0.442 1.00 3.46 N ATOM 84 NH2 ARG A 11 -16.599 -5.264 -0.047 1.00 4.41 N ATOM 0 H ARG A 11 -13.639 -4.113 -5.254 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.553 -2.425 -4.799 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -11.875 -5.239 -3.701 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -10.933 -3.955 -2.970 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.828 -2.774 -2.273 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -13.873 -3.546 -3.449 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -13.380 -5.761 -2.244 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -12.630 -4.807 -0.979 1.00 1.95 H new ATOM 0 HE ARG A 11 -15.099 -3.632 -1.178 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -13.969 -6.960 -0.819 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -15.432 -7.492 0.017 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -16.984 -4.322 -0.121 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -17.136 -6.000 0.412 1.00 4.41 H new ATOM 98 N LYS A 12 -10.547 -5.338 -5.974 1.00 0.28 N ATOM 99 CA LYS A 12 -9.461 -6.044 -6.629 1.00 0.27 C ATOM 100 C LYS A 12 -8.924 -5.256 -7.821 1.00 0.23 C ATOM 101 O LYS A 12 -7.731 -5.283 -8.100 1.00 0.37 O ATOM 102 CB LYS A 12 -9.941 -7.416 -7.093 1.00 0.37 C ATOM 103 CG LYS A 12 -8.821 -8.350 -7.468 1.00 0.49 C ATOM 104 CD LYS A 12 -8.182 -8.951 -6.231 1.00 0.94 C ATOM 105 CE LYS A 12 -6.955 -9.749 -6.597 1.00 0.88 C ATOM 106 NZ LYS A 12 -6.300 -10.354 -5.408 1.00 1.56 N ATOM 0 H LYS A 12 -11.391 -5.897 -5.844 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.652 -6.162 -5.908 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.533 -7.872 -6.300 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.601 -7.290 -7.951 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -9.204 -9.145 -8.108 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -8.070 -7.811 -8.045 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -7.911 -8.158 -5.534 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -8.900 -9.593 -5.720 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -7.232 -10.537 -7.297 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -6.244 -9.102 -7.111 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -5.463 -10.892 -5.709 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -6.010 -9.602 -4.751 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.968 -10.992 -4.931 1.00 1.56 H new ATOM 120 N SER A 13 -9.810 -4.566 -8.524 1.00 0.21 N ATOM 121 CA SER A 13 -9.415 -3.761 -9.673 1.00 0.24 C ATOM 122 C SER A 13 -9.002 -2.345 -9.255 1.00 0.24 C ATOM 123 O SER A 13 -7.900 -1.889 -9.571 1.00 0.28 O ATOM 124 CB SER A 13 -10.572 -3.714 -10.676 1.00 0.30 C ATOM 125 OG SER A 13 -10.244 -2.959 -11.831 1.00 0.90 O ATOM 0 H SER A 13 -10.809 -4.547 -8.319 1.00 0.21 H new ATOM 0 HA SER A 13 -8.545 -4.223 -10.140 1.00 0.24 H new ATOM 0 HB2 SER A 13 -10.838 -4.729 -10.970 1.00 0.30 H new ATOM 0 HB3 SER A 13 -11.450 -3.280 -10.197 1.00 0.30 H new ATOM 0 HG SER A 13 -11.007 -2.955 -12.446 1.00 0.90 H new ATOM 131 N ARG A 14 -9.886 -1.670 -8.529 1.00 0.25 N ATOM 132 CA ARG A 14 -9.691 -0.274 -8.157 1.00 0.30 C ATOM 133 C ARG A 14 -8.437 -0.090 -7.323 1.00 0.24 C ATOM 134 O ARG A 14 -7.708 0.890 -7.494 1.00 0.30 O ATOM 135 CB ARG A 14 -10.921 0.258 -7.401 1.00 0.37 C ATOM 136 CG ARG A 14 -11.241 -0.506 -6.126 1.00 0.36 C ATOM 137 CD ARG A 14 -11.007 0.310 -4.863 1.00 0.52 C ATOM 138 NE ARG A 14 -11.144 1.758 -5.075 1.00 1.14 N ATOM 139 CZ ARG A 14 -11.985 2.544 -4.396 1.00 1.41 C ATOM 140 NH1 ARG A 14 -12.874 2.017 -3.565 1.00 1.66 N ATOM 141 NH2 ARG A 14 -11.957 3.861 -4.574 1.00 2.05 N ATOM 0 H ARG A 14 -10.756 -2.074 -8.182 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.566 0.299 -9.076 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -10.757 1.307 -7.153 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -11.786 0.219 -8.063 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.282 -0.828 -6.155 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.629 -1.407 -6.087 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.715 -0.007 -4.097 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -10.008 0.098 -4.481 1.00 0.52 H new ATOM 0 HE ARG A 14 -10.558 2.192 -5.788 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.919 1.006 -3.441 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -13.513 2.623 -3.050 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -11.293 4.273 -5.230 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -12.600 4.460 -4.055 1.00 2.05 H new ATOM 155 N ILE A 15 -8.167 -1.035 -6.437 1.00 0.17 N ATOM 156 CA ILE A 15 -7.016 -0.937 -5.587 1.00 0.15 C ATOM 157 C ILE A 15 -5.773 -1.267 -6.375 1.00 0.13 C ATOM 158 O ILE A 15 -4.767 -0.589 -6.258 1.00 0.13 O ATOM 159 CB ILE A 15 -7.102 -1.907 -4.417 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.363 -1.662 -3.606 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.876 -1.779 -3.536 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.598 -2.724 -2.572 1.00 0.34 C ATOM 0 H ILE A 15 -8.733 -1.872 -6.296 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.977 0.083 -5.205 1.00 0.15 H new ATOM 0 HB ILE A 15 -7.143 -2.921 -4.815 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -8.292 -0.691 -3.115 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -9.220 -1.618 -4.278 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.951 -2.479 -2.704 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.983 -2.004 -4.120 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.810 -0.762 -3.150 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.512 -2.500 -2.021 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.698 -3.693 -3.062 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.756 -2.752 -1.881 1.00 0.34 H new ATOM 174 N GLN A 16 -5.871 -2.324 -7.177 1.00 0.15 N ATOM 175 CA GLN A 16 -4.750 -2.840 -7.948 1.00 0.20 C ATOM 176 C GLN A 16 -4.044 -1.746 -8.736 1.00 0.21 C ATOM 177 O GLN A 16 -2.814 -1.667 -8.723 1.00 0.24 O ATOM 178 CB GLN A 16 -5.248 -3.919 -8.885 1.00 0.25 C ATOM 179 CG GLN A 16 -4.290 -5.082 -9.031 1.00 0.40 C ATOM 180 CD GLN A 16 -3.045 -4.748 -9.825 1.00 1.08 C ATOM 181 OE1 GLN A 16 -2.017 -4.383 -9.261 1.00 1.85 O ATOM 182 NE2 GLN A 16 -3.135 -4.858 -11.139 1.00 1.71 N ATOM 0 H GLN A 16 -6.736 -2.848 -7.309 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.021 -3.254 -7.251 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.206 -4.291 -8.521 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.428 -3.482 -9.867 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.996 -5.426 -8.039 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.808 -5.910 -9.515 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -4.009 -5.165 -11.566 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -2.331 -4.636 -11.726 1.00 1.71 H new ATOM 191 N SER A 17 -4.822 -0.903 -9.403 1.00 0.23 N ATOM 192 CA SER A 17 -4.263 0.193 -10.182 1.00 0.28 C ATOM 193 C SER A 17 -3.326 1.044 -9.320 1.00 0.25 C ATOM 194 O SER A 17 -2.200 1.345 -9.720 1.00 0.34 O ATOM 195 CB SER A 17 -5.391 1.044 -10.763 1.00 0.33 C ATOM 196 OG SER A 17 -6.323 0.230 -11.457 1.00 1.04 O ATOM 0 H SER A 17 -5.840 -0.957 -9.420 1.00 0.23 H new ATOM 0 HA SER A 17 -3.678 -0.220 -11.004 1.00 0.28 H new ATOM 0 HB2 SER A 17 -5.897 1.583 -9.962 1.00 0.33 H new ATOM 0 HB3 SER A 17 -4.978 1.792 -11.440 1.00 0.33 H new ATOM 0 HG SER A 17 -7.040 0.791 -11.821 1.00 1.04 H new ATOM 202 N GLU A 18 -3.792 1.404 -8.132 1.00 0.19 N ATOM 203 CA GLU A 18 -2.984 2.137 -7.169 1.00 0.20 C ATOM 204 C GLU A 18 -1.924 1.248 -6.549 1.00 0.16 C ATOM 205 O GLU A 18 -0.808 1.684 -6.334 1.00 0.17 O ATOM 206 CB GLU A 18 -3.861 2.654 -6.061 1.00 0.28 C ATOM 207 CG GLU A 18 -4.941 3.580 -6.539 1.00 0.37 C ATOM 208 CD GLU A 18 -6.077 3.655 -5.551 1.00 1.43 C ATOM 209 OE1 GLU A 18 -5.908 3.195 -4.403 1.00 2.36 O ATOM 210 OE2 GLU A 18 -7.153 4.172 -5.932 1.00 1.76 O ATOM 0 H GLU A 18 -4.737 1.197 -7.810 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.502 2.957 -7.700 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.318 1.810 -5.546 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.242 3.176 -5.331 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -4.526 4.576 -6.695 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.317 3.237 -7.503 1.00 0.37 H new ATOM 217 N HIS A 19 -2.305 0.019 -6.224 1.00 0.15 N ATOM 218 CA HIS A 19 -1.403 -0.953 -5.624 1.00 0.14 C ATOM 219 C HIS A 19 -0.056 -0.895 -6.310 1.00 0.13 C ATOM 220 O HIS A 19 0.941 -0.631 -5.660 1.00 0.13 O ATOM 221 CB HIS A 19 -2.015 -2.365 -5.693 1.00 0.15 C ATOM 222 CG HIS A 19 -1.024 -3.476 -5.549 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.193 -3.618 -4.459 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.736 -4.502 -6.378 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.566 -4.683 -4.630 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.256 -5.236 -5.784 1.00 0.36 N ATOM 0 H HIS A 19 -3.252 -0.332 -6.370 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.257 -0.710 -4.572 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.766 -2.461 -4.909 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.532 -2.477 -6.646 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.201 -4.706 -7.331 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.315 -5.041 -3.940 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.685 -6.076 -6.173 1.00 0.36 H new ATOM 235 N ARG A 20 -0.058 -1.069 -7.624 1.00 0.14 N ATOM 236 CA ARG A 20 1.160 -1.002 -8.418 1.00 0.14 C ATOM 237 C ARG A 20 1.912 0.305 -8.168 1.00 0.12 C ATOM 238 O ARG A 20 3.129 0.307 -7.976 1.00 0.15 O ATOM 239 CB ARG A 20 0.799 -1.127 -9.888 1.00 0.19 C ATOM 240 CG ARG A 20 0.138 -2.449 -10.202 1.00 0.25 C ATOM 241 CD ARG A 20 1.159 -3.562 -10.335 1.00 0.90 C ATOM 242 NE ARG A 20 0.525 -4.867 -10.485 1.00 2.11 N ATOM 243 CZ ARG A 20 1.152 -5.947 -10.945 1.00 2.93 C ATOM 244 NH1 ARG A 20 2.428 -5.872 -11.308 1.00 2.80 N ATOM 245 NH2 ARG A 20 0.503 -7.100 -11.041 1.00 4.14 N ATOM 0 H ARG A 20 -0.900 -1.260 -8.167 1.00 0.14 H new ATOM 0 HA ARG A 20 1.817 -1.821 -8.126 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.130 -0.313 -10.167 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.700 -1.020 -10.492 1.00 0.19 H new ATOM 0 HG2 ARG A 20 -0.573 -2.698 -9.414 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -0.430 -2.362 -11.128 1.00 0.25 H new ATOM 0 HD2 ARG A 20 1.798 -3.368 -11.197 1.00 0.90 H new ATOM 0 HD3 ARG A 20 1.803 -3.570 -9.456 1.00 0.90 H new ATOM 0 HE ARG A 20 -0.456 -4.957 -10.222 1.00 2.11 H new ATOM 0 HH11 ARG A 20 2.928 -4.986 -11.234 1.00 2.80 H new ATOM 0 HH12 ARG A 20 2.908 -6.700 -11.660 1.00 2.80 H new ATOM 0 HH21 ARG A 20 -0.476 -7.159 -10.762 1.00 4.14 H new ATOM 0 HH22 ARG A 20 0.983 -7.928 -11.394 1.00 4.14 H new ATOM 259 N GLU A 21 1.165 1.403 -8.154 1.00 0.14 N ATOM 260 CA GLU A 21 1.710 2.730 -7.877 1.00 0.14 C ATOM 261 C GLU A 21 2.416 2.756 -6.524 1.00 0.11 C ATOM 262 O GLU A 21 3.556 3.206 -6.420 1.00 0.13 O ATOM 263 CB GLU A 21 0.583 3.773 -7.868 1.00 0.20 C ATOM 264 CG GLU A 21 -0.323 3.726 -9.080 1.00 0.33 C ATOM 265 CD GLU A 21 0.365 4.221 -10.335 1.00 0.52 C ATOM 266 OE1 GLU A 21 0.149 5.390 -10.717 1.00 0.98 O ATOM 267 OE2 GLU A 21 1.119 3.439 -10.947 1.00 0.82 O ATOM 0 H GLU A 21 0.161 1.400 -8.335 1.00 0.14 H new ATOM 0 HA GLU A 21 2.429 2.967 -8.661 1.00 0.14 H new ATOM 0 HB2 GLU A 21 -0.021 3.629 -6.972 1.00 0.20 H new ATOM 0 HB3 GLU A 21 1.025 4.767 -7.798 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.664 2.703 -9.236 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.209 4.332 -8.892 1.00 0.33 H new ATOM 274 N LEU A 22 1.728 2.266 -5.494 1.00 0.10 N ATOM 275 CA LEU A 22 2.246 2.306 -4.130 1.00 0.09 C ATOM 276 C LEU A 22 3.518 1.477 -3.982 1.00 0.09 C ATOM 277 O LEU A 22 4.403 1.831 -3.210 1.00 0.12 O ATOM 278 CB LEU A 22 1.196 1.845 -3.107 1.00 0.10 C ATOM 279 CG LEU A 22 0.134 2.888 -2.724 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.783 4.237 -2.460 1.00 0.18 C ATOM 281 CD2 LEU A 22 -0.920 3.022 -3.799 1.00 0.22 C ATOM 0 H LEU A 22 0.807 1.835 -5.580 1.00 0.10 H new ATOM 0 HA LEU A 22 2.491 3.348 -3.924 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.688 0.967 -3.506 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.713 1.530 -2.200 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.353 2.543 -1.812 1.00 0.15 H new ATOM 0 HD11 LEU A 22 0.016 4.963 -2.190 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.498 4.143 -1.642 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.301 4.573 -3.358 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.656 3.767 -3.496 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.450 3.333 -4.732 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.415 2.062 -3.945 1.00 0.22 H new ATOM 293 N VAL A 23 3.629 0.376 -4.713 1.00 0.08 N ATOM 294 CA VAL A 23 4.833 -0.426 -4.636 1.00 0.09 C ATOM 295 C VAL A 23 5.935 0.178 -5.494 1.00 0.11 C ATOM 296 O VAL A 23 7.113 0.102 -5.141 1.00 0.12 O ATOM 297 CB VAL A 23 4.602 -1.909 -4.993 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.162 -2.201 -5.372 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.535 -2.352 -6.094 1.00 0.12 C ATOM 0 H VAL A 23 2.915 0.027 -5.352 1.00 0.08 H new ATOM 0 HA VAL A 23 5.149 -0.413 -3.593 1.00 0.09 H new ATOM 0 HB VAL A 23 4.820 -2.482 -4.092 1.00 0.11 H new ATOM 0 HG11 VAL A 23 3.057 -3.259 -5.613 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.508 -1.953 -4.536 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.885 -1.602 -6.239 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.351 -3.401 -6.326 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.361 -1.747 -6.984 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.568 -2.228 -5.768 1.00 0.12 H new ATOM 309 N SER A 24 5.553 0.788 -6.610 1.00 0.12 N ATOM 310 CA SER A 24 6.495 1.576 -7.387 1.00 0.15 C ATOM 311 C SER A 24 7.028 2.699 -6.506 1.00 0.13 C ATOM 312 O SER A 24 8.161 3.161 -6.658 1.00 0.15 O ATOM 313 CB SER A 24 5.818 2.151 -8.634 1.00 0.19 C ATOM 314 OG SER A 24 6.761 2.790 -9.478 1.00 0.74 O ATOM 0 H SER A 24 4.608 0.752 -6.992 1.00 0.12 H new ATOM 0 HA SER A 24 7.318 0.942 -7.718 1.00 0.15 H new ATOM 0 HB2 SER A 24 5.318 1.352 -9.181 1.00 0.19 H new ATOM 0 HB3 SER A 24 5.049 2.864 -8.338 1.00 0.19 H new ATOM 0 HG SER A 24 6.304 3.147 -10.268 1.00 0.74 H new ATOM 320 N ALA A 25 6.197 3.099 -5.553 1.00 0.10 N ATOM 321 CA ALA A 25 6.568 4.110 -4.583 1.00 0.09 C ATOM 322 C ALA A 25 7.460 3.507 -3.511 1.00 0.08 C ATOM 323 O ALA A 25 8.409 4.142 -3.062 1.00 0.08 O ATOM 324 CB ALA A 25 5.339 4.727 -3.949 1.00 0.12 C ATOM 0 H ALA A 25 5.253 2.732 -5.434 1.00 0.10 H new ATOM 0 HA ALA A 25 7.117 4.895 -5.103 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.644 5.483 -3.225 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.725 5.191 -4.721 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.762 3.952 -3.444 1.00 0.12 H new ATOM 330 N ILE A 26 7.151 2.272 -3.101 1.00 0.08 N ATOM 331 CA ILE A 26 7.973 1.567 -2.136 1.00 0.08 C ATOM 332 C ILE A 26 9.393 1.439 -2.653 1.00 0.09 C ATOM 333 O ILE A 26 10.350 1.746 -1.949 1.00 0.12 O ATOM 334 CB ILE A 26 7.397 0.165 -1.790 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.572 0.260 -0.523 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.490 -0.879 -1.613 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.175 -1.085 0.020 1.00 0.20 C ATOM 0 H ILE A 26 6.338 1.749 -3.427 1.00 0.08 H new ATOM 0 HA ILE A 26 7.974 2.153 -1.217 1.00 0.08 H new ATOM 0 HB ILE A 26 6.774 -0.154 -2.626 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.141 0.799 0.235 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.674 0.845 -0.723 1.00 0.18 H new ATOM 0 HG21 ILE A 26 8.038 -1.841 -1.372 1.00 0.15 H new ATOM 0 HG22 ILE A 26 9.062 -0.967 -2.537 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.154 -0.577 -0.803 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.586 -0.952 0.928 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.581 -1.616 -0.723 1.00 0.20 H new ATOM 0 HD13 ILE A 26 7.070 -1.663 0.250 1.00 0.20 H new ATOM 349 N GLN A 27 9.510 1.022 -3.900 1.00 0.09 N ATOM 350 CA GLN A 27 10.806 0.850 -4.529 1.00 0.11 C ATOM 351 C GLN A 27 11.555 2.181 -4.590 1.00 0.13 C ATOM 352 O GLN A 27 12.784 2.224 -4.533 1.00 0.17 O ATOM 353 CB GLN A 27 10.625 0.259 -5.924 1.00 0.11 C ATOM 354 CG GLN A 27 9.938 -1.091 -5.905 1.00 0.13 C ATOM 355 CD GLN A 27 9.912 -1.755 -7.267 1.00 0.19 C ATOM 356 OE1 GLN A 27 10.804 -1.549 -8.089 1.00 0.99 O ATOM 357 NE2 GLN A 27 8.891 -2.555 -7.517 1.00 1.25 N ATOM 0 H GLN A 27 8.717 0.795 -4.501 1.00 0.09 H new ATOM 0 HA GLN A 27 11.404 0.161 -3.933 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.042 0.950 -6.533 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.600 0.159 -6.400 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.449 -1.744 -5.197 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.916 -0.969 -5.546 1.00 0.13 H new ATOM 0 HE21 GLN A 27 8.171 -2.700 -6.809 1.00 1.25 H new ATOM 0 HE22 GLN A 27 8.822 -3.028 -8.418 1.00 1.25 H new ATOM 366 N SER A 28 10.801 3.266 -4.686 1.00 0.13 N ATOM 367 CA SER A 28 11.374 4.603 -4.683 1.00 0.16 C ATOM 368 C SER A 28 11.806 4.988 -3.266 1.00 0.18 C ATOM 369 O SER A 28 12.965 5.333 -3.035 1.00 0.22 O ATOM 370 CB SER A 28 10.348 5.610 -5.194 1.00 0.16 C ATOM 371 OG SER A 28 10.949 6.854 -5.504 1.00 0.68 O ATOM 0 H SER A 28 9.784 3.245 -4.767 1.00 0.13 H new ATOM 0 HA SER A 28 12.246 4.611 -5.337 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.857 5.211 -6.082 1.00 0.16 H new ATOM 0 HB3 SER A 28 9.574 5.757 -4.440 1.00 0.16 H new ATOM 0 HG SER A 28 10.252 7.512 -5.707 1.00 0.68 H new ATOM 377 N TYR A 29 10.850 4.926 -2.333 1.00 0.16 N ATOM 378 CA TYR A 29 11.084 5.216 -0.919 1.00 0.19 C ATOM 379 C TYR A 29 12.304 4.456 -0.421 1.00 0.24 C ATOM 380 O TYR A 29 13.257 5.043 0.084 1.00 0.28 O ATOM 381 CB TYR A 29 9.833 4.806 -0.120 1.00 0.15 C ATOM 382 CG TYR A 29 9.829 5.131 1.371 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.655 5.002 2.106 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.974 5.539 2.048 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.618 5.266 3.464 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.942 5.808 3.403 1.00 0.27 C ATOM 387 CZ TYR A 29 9.765 5.668 4.105 1.00 0.22 C ATOM 388 OH TYR A 29 9.738 5.930 5.458 1.00 0.32 O ATOM 0 H TYR A 29 9.885 4.671 -2.542 1.00 0.16 H new ATOM 0 HA TYR A 29 11.272 6.281 -0.786 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.967 5.288 -0.575 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.696 3.731 -0.233 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.751 4.688 1.605 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.902 5.647 1.506 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.696 5.157 4.015 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.839 6.128 3.912 1.00 0.27 H new ATOM 0 HH TYR A 29 10.631 6.202 5.756 1.00 0.32 H new ATOM 398 N ILE A 30 12.269 3.151 -0.598 1.00 0.25 N ATOM 399 CA ILE A 30 13.313 2.278 -0.109 1.00 0.32 C ATOM 400 C ILE A 30 14.656 2.560 -0.770 1.00 0.38 C ATOM 401 O ILE A 30 15.690 2.562 -0.104 1.00 0.44 O ATOM 402 CB ILE A 30 12.906 0.818 -0.324 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.653 0.537 0.510 1.00 0.28 C ATOM 404 CG2 ILE A 30 14.052 -0.118 0.020 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.163 -0.884 0.443 1.00 0.29 C ATOM 0 H ILE A 30 11.515 2.667 -1.085 1.00 0.25 H new ATOM 0 HA ILE A 30 13.437 2.471 0.957 1.00 0.32 H new ATOM 0 HB ILE A 30 12.673 0.641 -1.374 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.861 0.787 1.550 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.854 1.199 0.176 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.740 -1.150 -0.140 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.908 0.105 -0.617 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.332 0.018 1.065 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.273 -0.992 1.063 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.919 -1.136 -0.589 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.942 -1.555 0.806 1.00 0.29 H new ATOM 417 N GLY A 31 14.636 2.837 -2.064 1.00 0.38 N ATOM 418 CA GLY A 31 15.868 3.120 -2.772 1.00 0.47 C ATOM 419 C GLY A 31 16.459 4.444 -2.341 1.00 0.50 C ATOM 420 O GLY A 31 17.653 4.691 -2.511 1.00 0.57 O ATOM 0 H GLY A 31 13.792 2.871 -2.636 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.587 2.322 -2.588 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.677 3.137 -3.845 1.00 0.47 H new ATOM 424 N ALA A 32 15.615 5.288 -1.765 1.00 0.48 N ATOM 425 CA ALA A 32 16.029 6.596 -1.290 1.00 0.51 C ATOM 426 C ALA A 32 16.472 6.522 0.155 1.00 0.54 C ATOM 427 O ALA A 32 17.242 7.364 0.627 1.00 0.60 O ATOM 428 CB ALA A 32 14.877 7.571 -1.410 1.00 0.46 C ATOM 0 H ALA A 32 14.627 5.084 -1.615 1.00 0.48 H new ATOM 0 HA ALA A 32 16.866 6.936 -1.900 1.00 0.51 H new ATOM 0 HB1 ALA A 32 15.191 8.552 -1.053 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.571 7.646 -2.453 1.00 0.46 H new ATOM 0 HB3 ALA A 32 14.038 7.218 -0.810 1.00 0.46 H new ATOM 434 N GLN A 33 15.966 5.513 0.849 1.00 0.50 N ATOM 435 CA GLN A 33 16.204 5.342 2.261 1.00 0.53 C ATOM 436 C GLN A 33 17.667 5.310 2.639 1.00 0.65 C ATOM 437 O GLN A 33 18.552 5.063 1.817 1.00 0.70 O ATOM 438 CB GLN A 33 15.546 4.072 2.728 1.00 0.50 C ATOM 439 CG GLN A 33 14.108 4.288 3.092 1.00 0.42 C ATOM 440 CD GLN A 33 13.946 4.614 4.566 1.00 0.44 C ATOM 441 OE1 GLN A 33 14.844 5.187 5.184 1.00 1.04 O ATOM 442 NE2 GLN A 33 12.814 4.250 5.143 1.00 1.19 N ATOM 0 H GLN A 33 15.376 4.789 0.439 1.00 0.50 H new ATOM 0 HA GLN A 33 15.776 6.216 2.751 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.612 3.319 1.943 1.00 0.50 H new ATOM 0 HB3 GLN A 33 16.084 3.681 3.591 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.699 5.101 2.492 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.533 3.394 2.852 1.00 0.42 H new ATOM 0 HE21 GLN A 33 12.093 3.777 4.598 1.00 1.19 H new ATOM 0 HE22 GLN A 33 12.661 4.442 6.133 1.00 1.19 H new ATOM 451 N ASP A 34 17.884 5.559 3.917 1.00 0.72 N ATOM 452 CA ASP A 34 19.201 5.503 4.519 1.00 0.85 C ATOM 453 C ASP A 34 19.734 4.088 4.472 1.00 0.88 C ATOM 454 O ASP A 34 20.936 3.851 4.346 1.00 0.99 O ATOM 455 CB ASP A 34 19.108 5.981 5.956 1.00 0.90 C ATOM 456 CG ASP A 34 20.464 6.127 6.604 1.00 1.06 C ATOM 457 OD1 ASP A 34 20.839 5.245 7.407 1.00 1.14 O ATOM 458 OD2 ASP A 34 21.159 7.119 6.312 1.00 1.22 O ATOM 0 H ASP A 34 17.143 5.808 4.572 1.00 0.72 H new ATOM 0 HA ASP A 34 19.884 6.147 3.965 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.590 6.940 5.984 1.00 0.90 H new ATOM 0 HB3 ASP A 34 18.507 5.277 6.532 1.00 0.90 H new ATOM 463 N ASP A 35 18.809 3.162 4.564 1.00 0.82 N ATOM 464 CA ASP A 35 19.110 1.746 4.438 1.00 0.89 C ATOM 465 C ASP A 35 17.995 1.057 3.676 1.00 0.80 C ATOM 466 O ASP A 35 16.920 0.807 4.213 1.00 0.77 O ATOM 467 CB ASP A 35 19.306 1.084 5.801 1.00 0.99 C ATOM 468 CG ASP A 35 19.654 -0.376 5.697 1.00 1.60 C ATOM 469 OD1 ASP A 35 18.740 -1.213 5.793 1.00 2.19 O ATOM 470 OD2 ASP A 35 20.845 -0.698 5.535 1.00 1.95 O ATOM 0 H ASP A 35 17.823 3.364 4.729 1.00 0.82 H new ATOM 0 HA ASP A 35 20.047 1.646 3.890 1.00 0.89 H new ATOM 0 HB2 ASP A 35 20.097 1.604 6.341 1.00 0.99 H new ATOM 0 HB3 ASP A 35 18.394 1.194 6.388 1.00 0.99 H new ATOM 475 N PRO A 36 18.238 0.770 2.398 1.00 0.79 N ATOM 476 CA PRO A 36 17.268 0.122 1.511 1.00 0.72 C ATOM 477 C PRO A 36 17.159 -1.359 1.776 1.00 0.77 C ATOM 478 O PRO A 36 16.432 -2.078 1.100 1.00 0.77 O ATOM 479 CB PRO A 36 17.899 0.348 0.145 1.00 0.73 C ATOM 480 CG PRO A 36 19.341 0.249 0.445 1.00 0.84 C ATOM 481 CD PRO A 36 19.488 1.068 1.681 1.00 0.85 C ATOM 0 HA PRO A 36 16.258 0.515 1.628 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.582 -0.403 -0.579 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.635 1.321 -0.269 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.649 -0.784 0.607 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.950 0.638 -0.371 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.367 0.781 2.258 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.586 2.130 1.457 1.00 0.85 H new ATOM 489 N THR A 37 17.915 -1.808 2.745 1.00 0.84 N ATOM 490 CA THR A 37 17.983 -3.210 3.060 1.00 0.90 C ATOM 491 C THR A 37 16.913 -3.560 4.073 1.00 0.89 C ATOM 492 O THR A 37 16.384 -4.672 4.101 1.00 0.91 O ATOM 493 CB THR A 37 19.379 -3.565 3.604 1.00 1.03 C ATOM 494 OG1 THR A 37 19.387 -3.563 5.038 1.00 1.07 O ATOM 495 CG2 THR A 37 20.398 -2.554 3.097 1.00 1.06 C ATOM 0 H THR A 37 18.498 -1.214 3.335 1.00 0.84 H new ATOM 0 HA THR A 37 17.810 -3.789 2.153 1.00 0.90 H new ATOM 0 HB THR A 37 19.637 -4.564 3.254 1.00 1.03 H new ATOM 0 HG1 THR A 37 19.112 -2.681 5.365 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.385 -2.807 3.483 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.419 -2.574 2.007 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.121 -1.556 3.437 1.00 1.06 H new ATOM 503 N ASN A 38 16.602 -2.578 4.893 1.00 0.87 N ATOM 504 CA ASN A 38 15.573 -2.697 5.908 1.00 0.88 C ATOM 505 C ASN A 38 15.068 -1.311 6.314 1.00 0.80 C ATOM 506 O ASN A 38 15.271 -0.871 7.448 1.00 0.86 O ATOM 507 CB ASN A 38 16.152 -3.414 7.116 1.00 1.05 C ATOM 508 CG ASN A 38 15.086 -3.923 8.073 1.00 1.02 C ATOM 509 OD1 ASN A 38 14.585 -5.037 7.925 1.00 1.43 O ATOM 510 ND2 ASN A 38 14.735 -3.117 9.060 1.00 1.64 N ATOM 0 H ASN A 38 17.059 -1.667 4.875 1.00 0.87 H new ATOM 0 HA ASN A 38 14.733 -3.267 5.510 1.00 0.88 H new ATOM 0 HB2 ASN A 38 16.758 -4.254 6.777 1.00 1.05 H new ATOM 0 HB3 ASN A 38 16.817 -2.735 7.650 1.00 1.05 H new ATOM 0 HD21 ASN A 38 14.026 -3.412 9.732 1.00 1.64 H new ATOM 0 HD22 ASN A 38 15.173 -2.200 9.150 1.00 1.64 H new ATOM 517 N PRO A 39 14.435 -0.587 5.377 1.00 0.68 N ATOM 518 CA PRO A 39 13.878 0.743 5.646 1.00 0.61 C ATOM 519 C PRO A 39 12.775 0.741 6.699 1.00 0.63 C ATOM 520 O PRO A 39 12.381 -0.306 7.213 1.00 0.73 O ATOM 521 CB PRO A 39 13.310 1.187 4.301 1.00 0.53 C ATOM 522 CG PRO A 39 13.189 -0.051 3.493 1.00 0.54 C ATOM 523 CD PRO A 39 14.252 -0.978 3.972 1.00 0.64 C ATOM 0 HA PRO A 39 14.646 1.405 6.047 1.00 0.61 H new ATOM 0 HB2 PRO A 39 12.341 1.671 4.425 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.967 1.909 3.817 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.202 -0.498 3.614 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.313 0.165 2.432 1.00 0.54 H new ATOM 0 HD2 PRO A 39 13.947 -2.021 3.881 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.173 -0.864 3.400 1.00 0.64 H new ATOM 531 N SER A 40 12.289 1.933 7.003 1.00 0.58 N ATOM 532 CA SER A 40 11.223 2.121 7.977 1.00 0.61 C ATOM 533 C SER A 40 9.908 1.528 7.480 1.00 0.53 C ATOM 534 O SER A 40 9.805 1.079 6.334 1.00 0.49 O ATOM 535 CB SER A 40 11.035 3.616 8.228 1.00 0.64 C ATOM 536 OG SER A 40 12.228 4.326 7.925 1.00 0.77 O ATOM 0 H SER A 40 12.622 2.800 6.581 1.00 0.58 H new ATOM 0 HA SER A 40 11.503 1.610 8.898 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.215 3.993 7.616 1.00 0.64 H new ATOM 0 HB3 SER A 40 10.759 3.784 9.269 1.00 0.64 H new ATOM 0 HG SER A 40 12.090 5.282 8.089 1.00 0.77 H new ATOM 542 N GLU A 41 8.907 1.535 8.348 1.00 0.58 N ATOM 543 CA GLU A 41 7.572 1.131 7.980 1.00 0.55 C ATOM 544 C GLU A 41 7.011 2.108 6.966 1.00 0.51 C ATOM 545 O GLU A 41 7.128 3.325 7.119 1.00 0.72 O ATOM 546 CB GLU A 41 6.705 1.055 9.236 1.00 0.66 C ATOM 547 CG GLU A 41 5.228 1.228 8.989 1.00 0.66 C ATOM 548 CD GLU A 41 4.421 1.154 10.267 1.00 0.82 C ATOM 549 OE1 GLU A 41 4.181 0.035 10.768 1.00 0.85 O ATOM 550 OE2 GLU A 41 4.039 2.220 10.789 1.00 0.99 O ATOM 0 H GLU A 41 9.004 1.821 9.322 1.00 0.58 H new ATOM 0 HA GLU A 41 7.586 0.143 7.519 1.00 0.55 H new ATOM 0 HB2 GLU A 41 6.869 0.091 9.717 1.00 0.66 H new ATOM 0 HB3 GLU A 41 7.035 1.822 9.937 1.00 0.66 H new ATOM 0 HG2 GLU A 41 5.053 2.189 8.506 1.00 0.66 H new ATOM 0 HG3 GLU A 41 4.884 0.457 8.299 1.00 0.66 H new ATOM 557 N ILE A 42 6.434 1.566 5.917 1.00 0.29 N ATOM 558 CA ILE A 42 6.027 2.352 4.790 1.00 0.21 C ATOM 559 C ILE A 42 4.520 2.535 4.738 1.00 0.22 C ATOM 560 O ILE A 42 3.760 1.575 4.864 1.00 0.27 O ATOM 561 CB ILE A 42 6.530 1.695 3.508 1.00 0.16 C ATOM 562 CG1 ILE A 42 8.046 1.861 3.426 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.831 2.275 2.302 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.607 1.622 2.055 1.00 0.15 C ATOM 0 H ILE A 42 6.237 0.569 5.828 1.00 0.29 H new ATOM 0 HA ILE A 42 6.465 3.345 4.892 1.00 0.21 H new ATOM 0 HB ILE A 42 6.299 0.630 3.522 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.310 2.869 3.746 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.516 1.171 4.126 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.204 1.793 1.398 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.758 2.105 2.387 1.00 0.13 H new ATOM 0 HG23 ILE A 42 6.026 3.346 2.249 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.688 1.758 2.076 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.375 0.605 1.739 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.166 2.329 1.353 1.00 0.15 H new ATOM 576 N THR A 43 4.096 3.777 4.553 1.00 0.19 N ATOM 577 CA THR A 43 2.685 4.085 4.442 1.00 0.19 C ATOM 578 C THR A 43 2.427 5.014 3.285 1.00 0.16 C ATOM 579 O THR A 43 3.358 5.564 2.708 1.00 0.15 O ATOM 580 CB THR A 43 2.130 4.713 5.728 1.00 0.21 C ATOM 581 OG1 THR A 43 2.858 5.902 6.048 1.00 0.21 O ATOM 582 CG2 THR A 43 2.216 3.730 6.884 1.00 0.22 C ATOM 0 H THR A 43 4.713 4.586 4.477 1.00 0.19 H new ATOM 0 HA THR A 43 2.172 3.139 4.272 1.00 0.19 H new ATOM 0 HB THR A 43 1.083 4.967 5.563 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.496 6.296 6.869 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.818 4.194 7.786 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.635 2.839 6.648 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.257 3.452 7.048 1.00 0.22 H new ATOM 590 N LEU A 44 1.167 5.196 2.958 1.00 0.16 N ATOM 591 CA LEU A 44 0.790 6.027 1.830 1.00 0.15 C ATOM 592 C LEU A 44 1.174 7.464 2.080 1.00 0.15 C ATOM 593 O LEU A 44 1.636 8.175 1.188 1.00 0.16 O ATOM 594 CB LEU A 44 -0.696 5.939 1.602 1.00 0.16 C ATOM 595 CG LEU A 44 -1.232 4.535 1.456 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.624 4.578 0.872 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.284 3.700 0.612 1.00 0.18 C ATOM 0 H LEU A 44 0.381 4.779 3.458 1.00 0.16 H new ATOM 0 HA LEU A 44 1.317 5.668 0.946 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.206 6.423 2.435 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -0.946 6.503 0.704 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.298 4.061 2.436 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -3.007 3.563 0.768 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.278 5.147 1.533 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.593 5.056 -0.107 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.680 2.689 0.513 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.185 4.149 -0.376 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.693 3.661 1.093 1.00 0.18 H new ATOM 609 N ALA A 45 0.991 7.864 3.317 1.00 0.15 N ATOM 610 CA ALA A 45 1.297 9.211 3.743 1.00 0.15 C ATOM 611 C ALA A 45 2.805 9.475 3.637 1.00 0.15 C ATOM 612 O ALA A 45 3.248 10.617 3.523 1.00 0.18 O ATOM 613 CB ALA A 45 0.779 9.399 5.159 1.00 0.18 C ATOM 0 H ALA A 45 0.626 7.265 4.057 1.00 0.15 H new ATOM 0 HA ALA A 45 0.806 9.937 3.095 1.00 0.15 H new ATOM 0 HB1 ALA A 45 1.002 10.411 5.497 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.299 9.240 5.176 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.262 8.681 5.822 1.00 0.18 H new ATOM 619 N LYS A 46 3.579 8.395 3.667 1.00 0.15 N ATOM 620 CA LYS A 46 5.023 8.445 3.482 1.00 0.15 C ATOM 621 C LYS A 46 5.407 8.285 2.019 1.00 0.13 C ATOM 622 O LYS A 46 6.387 8.865 1.556 1.00 0.13 O ATOM 623 CB LYS A 46 5.654 7.321 4.272 1.00 0.16 C ATOM 624 CG LYS A 46 5.502 7.459 5.765 1.00 0.20 C ATOM 625 CD LYS A 46 6.035 6.233 6.471 1.00 0.22 C ATOM 626 CE LYS A 46 5.640 6.225 7.925 1.00 0.30 C ATOM 627 NZ LYS A 46 6.154 7.415 8.659 1.00 0.36 N ATOM 0 H LYS A 46 3.218 7.454 3.822 1.00 0.15 H new ATOM 0 HA LYS A 46 5.377 9.417 3.826 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.210 6.376 3.958 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.715 7.271 4.028 1.00 0.16 H new ATOM 0 HG2 LYS A 46 6.036 8.344 6.110 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.451 7.602 6.017 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.655 5.335 5.983 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.121 6.205 6.387 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.553 6.194 8.003 1.00 0.30 H new ATOM 0 HE3 LYS A 46 6.019 5.319 8.397 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 5.990 7.292 9.679 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.174 7.518 8.482 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.658 8.267 8.329 1.00 0.36 H new ATOM 641 N LEU A 47 4.643 7.468 1.308 1.00 0.13 N ATOM 642 CA LEU A 47 4.900 7.176 -0.092 1.00 0.11 C ATOM 643 C LEU A 47 4.509 8.342 -0.990 1.00 0.12 C ATOM 644 O LEU A 47 4.834 8.353 -2.176 1.00 0.14 O ATOM 645 CB LEU A 47 4.136 5.917 -0.493 1.00 0.09 C ATOM 646 CG LEU A 47 4.718 4.612 0.040 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.859 3.436 -0.392 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.155 4.437 -0.430 1.00 0.11 C ATOM 0 H LEU A 47 3.826 6.989 1.688 1.00 0.13 H new ATOM 0 HA LEU A 47 5.970 7.014 -0.219 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.107 6.008 -0.144 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.100 5.863 -1.581 1.00 0.09 H new ATOM 0 HG LEU A 47 4.721 4.651 1.129 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.287 2.511 -0.004 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.849 3.560 -0.002 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.824 3.391 -1.481 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.554 3.501 -0.040 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.182 4.417 -1.519 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.760 5.268 -0.068 1.00 0.11 H new ATOM 660 N ALA A 48 3.832 9.321 -0.400 1.00 0.12 N ATOM 661 CA ALA A 48 3.343 10.502 -1.113 1.00 0.14 C ATOM 662 C ALA A 48 4.357 11.088 -2.105 1.00 0.15 C ATOM 663 O ALA A 48 4.041 11.247 -3.287 1.00 0.19 O ATOM 664 CB ALA A 48 2.910 11.566 -0.115 1.00 0.16 C ATOM 0 H ALA A 48 3.604 9.320 0.594 1.00 0.12 H new ATOM 0 HA ALA A 48 2.491 10.173 -1.709 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.547 12.442 -0.652 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.113 11.171 0.515 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.759 11.848 0.508 1.00 0.16 H new ATOM 670 N PRO A 49 5.591 11.409 -1.658 1.00 0.15 N ATOM 671 CA PRO A 49 6.601 12.051 -2.509 1.00 0.19 C ATOM 672 C PRO A 49 7.081 11.154 -3.646 1.00 0.21 C ATOM 673 O PRO A 49 7.654 11.625 -4.628 1.00 0.28 O ATOM 674 CB PRO A 49 7.758 12.311 -1.537 1.00 0.21 C ATOM 675 CG PRO A 49 7.142 12.256 -0.189 1.00 0.37 C ATOM 676 CD PRO A 49 6.122 11.186 -0.306 1.00 0.14 C ATOM 0 HA PRO A 49 6.204 12.942 -2.996 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.541 11.560 -1.645 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.219 13.281 -1.722 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.880 12.022 0.578 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.691 13.210 0.083 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.559 10.193 -0.199 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.348 11.277 0.456 1.00 0.14 H new ATOM 684 N TYR A 50 6.844 9.863 -3.503 1.00 0.21 N ATOM 685 CA TYR A 50 7.342 8.879 -4.451 1.00 0.25 C ATOM 686 C TYR A 50 6.259 8.456 -5.433 1.00 0.27 C ATOM 687 O TYR A 50 6.526 7.733 -6.395 1.00 0.33 O ATOM 688 CB TYR A 50 7.863 7.665 -3.697 1.00 0.26 C ATOM 689 CG TYR A 50 8.831 8.020 -2.592 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.169 8.274 -2.862 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.399 8.114 -1.277 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.050 8.611 -1.851 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.271 8.448 -0.261 1.00 0.30 C ATOM 694 CZ TYR A 50 10.595 8.695 -0.551 1.00 0.36 C ATOM 695 OH TYR A 50 11.465 9.029 0.462 1.00 0.42 O ATOM 0 H TYR A 50 6.305 9.467 -2.733 1.00 0.21 H new ATOM 0 HA TYR A 50 8.151 9.333 -5.022 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.020 7.120 -3.272 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.355 6.993 -4.400 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.528 8.207 -3.879 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.362 7.922 -1.044 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.088 8.807 -2.077 1.00 0.39 H new ATOM 0 HE2 TYR A 50 8.917 8.515 0.757 1.00 0.30 H new ATOM 0 HH TYR A 50 10.983 9.045 1.315 1.00 0.42 H new ATOM 705 N MET A 51 5.040 8.903 -5.183 1.00 0.28 N ATOM 706 CA MET A 51 3.923 8.606 -6.066 1.00 0.35 C ATOM 707 C MET A 51 3.954 9.536 -7.270 1.00 0.54 C ATOM 708 O MET A 51 4.782 10.443 -7.330 1.00 0.51 O ATOM 709 CB MET A 51 2.607 8.763 -5.322 1.00 0.29 C ATOM 710 CG MET A 51 2.497 7.909 -4.078 1.00 0.15 C ATOM 711 SD MET A 51 2.721 6.163 -4.404 1.00 0.26 S ATOM 712 CE MET A 51 1.416 5.839 -5.566 1.00 0.25 C ATOM 0 H MET A 51 4.797 9.475 -4.374 1.00 0.28 H new ATOM 0 HA MET A 51 4.010 7.575 -6.409 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.481 9.809 -5.044 1.00 0.29 H new ATOM 0 HB3 MET A 51 1.788 8.512 -5.996 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.242 8.236 -3.353 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.519 8.065 -3.622 1.00 0.15 H new ATOM 0 HE1 MET A 51 1.022 4.836 -5.400 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.618 6.569 -5.430 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.806 5.912 -6.581 1.00 0.25 H new ATOM 722 N SER A 52 3.055 9.330 -8.223 1.00 0.90 N ATOM 723 CA SER A 52 3.127 10.084 -9.465 1.00 1.14 C ATOM 724 C SER A 52 1.758 10.374 -10.095 1.00 0.98 C ATOM 725 O SER A 52 1.527 11.478 -10.581 1.00 1.19 O ATOM 726 CB SER A 52 4.005 9.320 -10.463 1.00 1.43 C ATOM 727 OG SER A 52 4.146 10.023 -11.685 1.00 2.32 O ATOM 0 H SER A 52 2.285 8.664 -8.163 1.00 0.90 H new ATOM 0 HA SER A 52 3.560 11.054 -9.221 1.00 1.14 H new ATOM 0 HB2 SER A 52 4.989 9.150 -10.026 1.00 1.43 H new ATOM 0 HB3 SER A 52 3.568 8.340 -10.656 1.00 1.43 H new ATOM 0 HG SER A 52 4.713 9.507 -12.296 1.00 2.32 H new ATOM 733 N LYS A 53 0.854 9.397 -10.073 1.00 0.79 N ATOM 734 CA LYS A 53 -0.342 9.438 -10.915 1.00 0.81 C ATOM 735 C LYS A 53 -1.250 10.624 -10.637 1.00 0.98 C ATOM 736 O LYS A 53 -1.886 11.170 -11.537 1.00 1.91 O ATOM 737 CB LYS A 53 -1.137 8.136 -10.782 1.00 0.99 C ATOM 738 CG LYS A 53 -2.134 8.087 -9.628 1.00 0.82 C ATOM 739 CD LYS A 53 -1.509 7.657 -8.309 1.00 0.69 C ATOM 740 CE LYS A 53 -2.589 7.407 -7.265 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.753 6.669 -7.832 1.00 1.65 N ATOM 0 H LYS A 53 0.926 8.568 -9.483 1.00 0.79 H new ATOM 0 HA LYS A 53 0.020 9.556 -11.936 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -1.677 7.965 -11.713 1.00 0.99 H new ATOM 0 HB3 LYS A 53 -0.433 7.312 -10.666 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -2.584 9.072 -9.504 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -2.939 7.398 -9.882 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.921 6.751 -8.456 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -0.824 8.428 -7.955 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -2.168 6.838 -6.436 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -2.927 8.360 -6.858 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.418 6.430 -7.069 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -4.233 7.266 -8.536 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -3.421 5.795 -8.288 1.00 1.65 H new ATOM 755 N ASN A 54 -1.299 10.999 -9.397 1.00 0.79 N ATOM 756 CA ASN A 54 -2.228 12.026 -8.930 1.00 0.77 C ATOM 757 C ASN A 54 -1.742 12.580 -7.617 1.00 0.93 C ATOM 758 O ASN A 54 -2.435 13.317 -6.923 1.00 1.79 O ATOM 759 CB ASN A 54 -3.597 11.389 -8.728 1.00 0.75 C ATOM 760 CG ASN A 54 -4.738 12.393 -8.757 1.00 1.15 C ATOM 761 OD1 ASN A 54 -5.281 12.700 -9.820 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.120 12.904 -7.599 1.00 1.22 N ATOM 0 H ASN A 54 -0.703 10.612 -8.665 1.00 0.79 H new ATOM 0 HA ASN A 54 -2.292 12.831 -9.662 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.760 10.642 -9.504 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.608 10.864 -7.773 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -5.887 13.575 -7.566 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -4.648 12.627 -6.739 1.00 1.22 H new ATOM 769 N ALA A 55 -0.526 12.226 -7.306 1.00 0.45 N ATOM 770 CA ALA A 55 -0.023 12.356 -5.961 1.00 0.38 C ATOM 771 C ALA A 55 1.181 13.280 -5.877 1.00 0.49 C ATOM 772 O ALA A 55 1.848 13.540 -6.880 1.00 0.72 O ATOM 773 CB ALA A 55 0.320 10.974 -5.465 1.00 0.31 C ATOM 0 H ALA A 55 0.144 11.841 -7.972 1.00 0.45 H new ATOM 0 HA ALA A 55 -0.789 12.812 -5.334 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.705 11.038 -4.447 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.574 10.351 -5.477 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.078 10.533 -6.112 1.00 0.31 H new ATOM 779 N LYS A 56 1.463 13.748 -4.664 1.00 0.48 N ATOM 780 CA LYS A 56 2.562 14.671 -4.418 1.00 0.59 C ATOM 781 C LYS A 56 2.817 14.787 -2.919 1.00 0.45 C ATOM 782 O LYS A 56 3.882 14.412 -2.429 1.00 0.50 O ATOM 783 CB LYS A 56 2.264 16.048 -5.012 1.00 0.79 C ATOM 784 CG LYS A 56 3.434 17.015 -4.922 1.00 1.43 C ATOM 785 CD LYS A 56 4.635 16.540 -5.730 1.00 1.46 C ATOM 786 CE LYS A 56 4.338 16.501 -7.222 1.00 1.71 C ATOM 787 NZ LYS A 56 5.505 16.018 -8.004 1.00 2.30 N ATOM 0 H LYS A 56 0.936 13.498 -3.827 1.00 0.48 H new ATOM 0 HA LYS A 56 3.456 14.279 -4.904 1.00 0.59 H new ATOM 0 HB2 LYS A 56 1.981 15.930 -6.058 1.00 0.79 H new ATOM 0 HB3 LYS A 56 1.406 16.479 -4.496 1.00 0.79 H new ATOM 0 HG2 LYS A 56 3.121 17.996 -5.281 1.00 1.43 H new ATOM 0 HG3 LYS A 56 3.725 17.135 -3.878 1.00 1.43 H new ATOM 0 HD2 LYS A 56 5.481 17.202 -5.546 1.00 1.46 H new ATOM 0 HD3 LYS A 56 4.929 15.546 -5.393 1.00 1.46 H new ATOM 0 HE2 LYS A 56 3.483 15.850 -7.406 1.00 1.71 H new ATOM 0 HE3 LYS A 56 4.059 17.498 -7.563 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 5.264 16.005 -9.016 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 6.314 16.653 -7.849 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 5.756 15.057 -7.696 1.00 2.30 H new ATOM 801 N ASN A 57 1.835 15.305 -2.194 1.00 0.36 N ATOM 802 CA ASN A 57 1.902 15.343 -0.749 1.00 0.26 C ATOM 803 C ASN A 57 0.960 14.319 -0.187 1.00 0.22 C ATOM 804 O ASN A 57 0.200 13.705 -0.933 1.00 0.24 O ATOM 805 CB ASN A 57 1.523 16.714 -0.183 1.00 0.31 C ATOM 806 CG ASN A 57 2.451 17.819 -0.639 1.00 0.35 C ATOM 807 OD1 ASN A 57 2.210 18.464 -1.661 1.00 1.02 O ATOM 808 ND2 ASN A 57 3.516 18.047 0.109 1.00 1.32 N ATOM 0 H ASN A 57 0.983 15.704 -2.589 1.00 0.36 H new ATOM 0 HA ASN A 57 2.933 15.134 -0.464 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.504 16.956 -0.484 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.531 16.666 0.906 1.00 0.31 H new ATOM 0 HD21 ASN A 57 4.175 18.780 -0.152 1.00 1.32 H new ATOM 0 HD22 ASN A 57 3.679 17.490 0.948 1.00 1.32 H new ATOM 815 N GLU A 58 0.997 14.156 1.115 1.00 0.23 N ATOM 816 CA GLU A 58 0.102 13.244 1.796 1.00 0.23 C ATOM 817 C GLU A 58 -1.347 13.635 1.513 1.00 0.30 C ATOM 818 O GLU A 58 -2.229 12.783 1.358 1.00 0.36 O ATOM 819 CB GLU A 58 0.403 13.242 3.292 1.00 0.27 C ATOM 820 CG GLU A 58 -0.795 13.560 4.151 1.00 0.36 C ATOM 821 CD GLU A 58 -0.517 13.412 5.631 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.366 14.444 6.317 1.00 0.68 O ATOM 823 OE2 GLU A 58 -0.436 12.267 6.113 1.00 0.59 O ATOM 0 H GLU A 58 1.644 14.648 1.731 1.00 0.23 H new ATOM 0 HA GLU A 58 0.255 12.231 1.424 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.792 12.264 3.574 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.189 13.969 3.497 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.120 14.580 3.948 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.619 12.902 3.874 1.00 0.36 H new ATOM 830 N ASP A 59 -1.561 14.937 1.404 1.00 0.37 N ATOM 831 CA ASP A 59 -2.867 15.499 1.099 1.00 0.48 C ATOM 832 C ASP A 59 -3.362 15.032 -0.264 1.00 0.41 C ATOM 833 O ASP A 59 -4.556 14.811 -0.463 1.00 0.50 O ATOM 834 CB ASP A 59 -2.775 17.019 1.113 1.00 0.63 C ATOM 835 CG ASP A 59 -4.130 17.693 1.037 1.00 0.65 C ATOM 836 OD1 ASP A 59 -4.776 17.863 2.091 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.551 18.076 -0.074 1.00 0.55 O ATOM 0 H ASP A 59 -0.829 15.637 1.525 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.575 15.158 1.854 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -2.266 17.339 2.023 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.163 17.349 0.273 1.00 0.63 H new ATOM 842 N GLY A 60 -2.432 14.863 -1.194 1.00 0.35 N ATOM 843 CA GLY A 60 -2.797 14.545 -2.560 1.00 0.41 C ATOM 844 C GLY A 60 -2.493 13.117 -2.957 1.00 0.43 C ATOM 845 O GLY A 60 -2.530 12.780 -4.135 1.00 0.83 O ATOM 0 H GLY A 60 -1.429 14.941 -1.026 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.863 14.730 -2.694 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.269 15.220 -3.234 1.00 0.41 H new ATOM 849 N ILE A 61 -2.174 12.269 -1.996 1.00 0.25 N ATOM 850 CA ILE A 61 -1.930 10.875 -2.295 1.00 0.20 C ATOM 851 C ILE A 61 -3.004 9.994 -1.695 1.00 0.15 C ATOM 852 O ILE A 61 -3.747 9.326 -2.406 1.00 0.17 O ATOM 853 CB ILE A 61 -0.530 10.425 -1.803 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.353 8.923 -1.948 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.290 10.823 -0.361 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.773 8.382 -3.297 1.00 0.20 C ATOM 0 H ILE A 61 -2.079 12.520 -1.012 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.959 10.767 -3.379 1.00 0.20 H new ATOM 0 HB ILE A 61 0.202 10.933 -2.431 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.694 8.673 -1.777 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.931 8.423 -1.171 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.701 10.491 -0.052 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.355 11.907 -0.267 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -1.043 10.358 0.275 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.616 7.304 -3.321 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.828 8.599 -3.464 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.178 8.853 -4.079 1.00 0.20 H new ATOM 868 N VAL A 62 -3.097 10.040 -0.395 1.00 0.14 N ATOM 869 CA VAL A 62 -3.950 9.151 0.355 1.00 0.13 C ATOM 870 C VAL A 62 -5.410 9.443 0.062 1.00 0.19 C ATOM 871 O VAL A 62 -6.214 8.538 -0.118 1.00 0.24 O ATOM 872 CB VAL A 62 -3.650 9.301 1.852 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.563 8.452 2.686 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.226 8.914 2.129 1.00 0.12 C ATOM 0 H VAL A 62 -2.578 10.702 0.183 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.751 8.122 0.057 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.813 10.345 2.119 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.321 8.584 3.740 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.597 8.749 2.511 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.436 7.404 2.413 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.020 9.023 3.194 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -2.066 7.877 1.833 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.556 9.561 1.562 1.00 0.12 H new ATOM 884 N ASN A 63 -5.728 10.717 -0.027 1.00 0.23 N ATOM 885 CA ASN A 63 -7.083 11.148 -0.345 1.00 0.28 C ATOM 886 C ASN A 63 -7.416 10.841 -1.809 1.00 0.26 C ATOM 887 O ASN A 63 -8.584 10.768 -2.192 1.00 0.32 O ATOM 888 CB ASN A 63 -7.233 12.646 -0.073 1.00 0.39 C ATOM 889 CG ASN A 63 -8.683 13.100 -0.042 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.269 13.437 -1.074 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.264 13.128 1.146 1.00 1.20 N ATOM 0 H ASN A 63 -5.066 11.480 0.116 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.780 10.600 0.289 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -6.762 12.886 0.880 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.699 13.205 -0.842 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.232 13.437 1.233 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -8.744 12.841 1.975 1.00 1.20 H new ATOM 898 N SER A 64 -6.380 10.663 -2.622 1.00 0.25 N ATOM 899 CA SER A 64 -6.550 10.364 -4.040 1.00 0.30 C ATOM 900 C SER A 64 -6.566 8.855 -4.277 1.00 0.28 C ATOM 901 O SER A 64 -7.019 8.378 -5.318 1.00 0.39 O ATOM 902 CB SER A 64 -5.427 11.017 -4.844 1.00 0.38 C ATOM 903 OG SER A 64 -5.381 12.413 -4.596 1.00 1.17 O ATOM 0 H SER A 64 -5.407 10.721 -2.321 1.00 0.25 H new ATOM 0 HA SER A 64 -7.507 10.768 -4.370 1.00 0.30 H new ATOM 0 HB2 SER A 64 -4.472 10.564 -4.579 1.00 0.38 H new ATOM 0 HB3 SER A 64 -5.582 10.836 -5.908 1.00 0.38 H new ATOM 0 HG SER A 64 -4.447 12.703 -4.529 1.00 1.17 H new ATOM 909 N LEU A 65 -6.076 8.123 -3.294 1.00 0.21 N ATOM 910 CA LEU A 65 -6.046 6.670 -3.334 1.00 0.20 C ATOM 911 C LEU A 65 -7.338 6.087 -2.800 1.00 0.20 C ATOM 912 O LEU A 65 -8.132 6.791 -2.182 1.00 0.22 O ATOM 913 CB LEU A 65 -4.886 6.135 -2.505 1.00 0.21 C ATOM 914 CG LEU A 65 -3.505 6.348 -3.090 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.455 5.862 -2.119 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.370 5.616 -4.401 1.00 0.71 C ATOM 0 H LEU A 65 -5.685 8.520 -2.440 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.920 6.374 -4.375 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.920 6.604 -1.522 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -5.035 5.066 -2.353 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.362 7.414 -3.269 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.464 6.018 -2.546 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.539 6.417 -1.185 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.603 4.800 -1.925 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.372 5.779 -4.808 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.526 4.549 -4.240 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -4.114 5.989 -5.104 1.00 0.71 H new ATOM 928 N ALA A 66 -7.568 4.817 -3.104 1.00 0.21 N ATOM 929 CA ALA A 66 -8.706 4.088 -2.577 1.00 0.21 C ATOM 930 C ALA A 66 -8.797 4.244 -1.075 1.00 0.17 C ATOM 931 O ALA A 66 -7.785 4.209 -0.367 1.00 0.15 O ATOM 932 CB ALA A 66 -8.607 2.614 -2.920 1.00 0.23 C ATOM 0 H ALA A 66 -6.971 4.267 -3.722 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.603 4.504 -3.035 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.471 2.087 -2.515 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.584 2.493 -4.003 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.695 2.201 -2.489 1.00 0.23 H new ATOM 938 N LYS A 67 -10.009 4.401 -0.592 1.00 0.21 N ATOM 939 CA LYS A 67 -10.228 4.614 0.815 1.00 0.22 C ATOM 940 C LYS A 67 -11.006 3.450 1.402 1.00 0.29 C ATOM 941 O LYS A 67 -12.006 3.007 0.835 1.00 0.38 O ATOM 942 CB LYS A 67 -10.971 5.929 1.058 1.00 0.26 C ATOM 943 CG LYS A 67 -10.351 7.146 0.374 1.00 0.26 C ATOM 944 CD LYS A 67 -8.855 7.285 0.637 1.00 0.35 C ATOM 945 CE LYS A 67 -8.532 7.807 2.030 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.127 9.144 2.290 1.00 0.20 N ATOM 0 H LYS A 67 -10.858 4.385 -1.157 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.259 4.677 1.310 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -11.999 5.819 0.713 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -11.013 6.114 2.131 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.520 7.076 -0.701 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.859 8.047 0.718 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.378 6.314 0.501 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.424 7.958 -0.104 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -8.898 7.099 2.774 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -7.450 7.865 2.151 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.441 9.736 2.801 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.369 9.598 1.386 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -9.987 9.035 2.865 1.00 0.20 H new ATOM 960 N ASP A 68 -10.532 2.952 2.527 1.00 0.30 N ATOM 961 CA ASP A 68 -11.179 1.844 3.203 1.00 0.42 C ATOM 962 C ASP A 68 -12.319 2.395 4.056 1.00 0.49 C ATOM 963 O ASP A 68 -12.272 3.539 4.511 1.00 0.64 O ATOM 964 CB ASP A 68 -10.166 1.073 4.058 1.00 0.50 C ATOM 965 CG ASP A 68 -10.050 1.601 5.469 1.00 1.21 C ATOM 966 OD1 ASP A 68 -10.586 0.943 6.375 1.00 1.35 O ATOM 967 OD2 ASP A 68 -9.431 2.665 5.676 1.00 2.24 O ATOM 0 H ASP A 68 -9.695 3.300 2.995 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.584 1.144 2.472 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -10.456 0.023 4.093 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.188 1.118 3.579 1.00 0.50 H new ATOM 972 N LYS A 69 -13.358 1.596 4.238 1.00 0.58 N ATOM 973 CA LYS A 69 -14.594 2.090 4.825 1.00 0.74 C ATOM 974 C LYS A 69 -14.585 2.060 6.352 1.00 0.70 C ATOM 975 O LYS A 69 -14.908 3.059 6.993 1.00 0.84 O ATOM 976 CB LYS A 69 -15.776 1.285 4.301 1.00 0.94 C ATOM 977 CG LYS A 69 -17.130 1.907 4.612 1.00 0.98 C ATOM 978 CD LYS A 69 -17.312 3.253 3.918 1.00 1.81 C ATOM 979 CE LYS A 69 -17.237 3.122 2.403 1.00 2.24 C ATOM 980 NZ LYS A 69 -17.472 4.420 1.716 1.00 3.13 N ATOM 0 H LYS A 69 -13.371 0.607 3.989 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.687 3.135 4.528 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.677 1.174 3.221 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.740 0.283 4.729 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.922 1.227 4.298 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.230 2.038 5.689 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -18.275 3.680 4.199 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -16.544 3.946 4.262 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -16.258 2.736 2.121 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -17.976 2.395 2.066 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -17.412 4.284 0.687 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -18.417 4.778 1.963 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -16.752 5.107 2.017 1.00 3.13 H new ATOM 994 N SER A 70 -14.216 0.927 6.933 1.00 0.59 N ATOM 995 CA SER A 70 -14.425 0.715 8.361 1.00 0.65 C ATOM 996 C SER A 70 -13.173 0.965 9.205 1.00 0.70 C ATOM 997 O SER A 70 -13.274 1.280 10.390 1.00 0.87 O ATOM 998 CB SER A 70 -14.947 -0.702 8.593 1.00 0.65 C ATOM 999 OG SER A 70 -14.274 -1.629 7.757 1.00 1.13 O ATOM 0 H SER A 70 -13.775 0.147 6.445 1.00 0.59 H new ATOM 0 HA SER A 70 -15.161 1.450 8.688 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.807 -0.979 9.638 1.00 0.65 H new ATOM 0 HB3 SER A 70 -16.018 -0.737 8.394 1.00 0.65 H new ATOM 0 HG SER A 70 -14.870 -1.906 7.030 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.999 0.828 8.598 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.752 0.998 9.328 1.00 0.73 C ATOM 1007 C GLY A 71 -10.508 -0.113 10.331 1.00 0.69 C ATOM 1008 O GLY A 71 -9.614 -0.017 11.171 1.00 0.76 O ATOM 0 H GLY A 71 -11.887 0.601 7.610 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.923 1.033 8.621 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.767 1.956 9.848 1.00 0.73 H new ATOM 1012 N ASN A 72 -11.281 -1.182 10.213 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.279 -2.257 11.200 1.00 0.68 C ATOM 1014 C ASN A 72 -9.938 -2.989 11.256 1.00 0.62 C ATOM 1015 O ASN A 72 -9.529 -3.468 12.313 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.410 -3.244 10.892 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.533 -4.344 11.930 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -11.943 -5.414 11.793 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -13.306 -4.087 12.974 1.00 1.67 N ATOM 0 H ASN A 72 -11.925 -1.331 9.436 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.439 -1.807 12.180 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.353 -2.701 10.832 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -12.238 -3.692 9.914 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -13.429 -4.790 13.703 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -13.778 -3.186 13.050 1.00 1.67 H new ATOM 1026 N SER A 73 -9.240 -3.051 10.131 1.00 0.68 N ATOM 1027 CA SER A 73 -8.006 -3.823 10.052 1.00 0.70 C ATOM 1028 C SER A 73 -6.770 -2.980 10.376 1.00 0.61 C ATOM 1029 O SER A 73 -5.645 -3.471 10.293 1.00 0.64 O ATOM 1030 CB SER A 73 -7.869 -4.448 8.665 1.00 0.92 C ATOM 1031 OG SER A 73 -9.009 -5.230 8.349 1.00 1.74 O ATOM 0 H SER A 73 -9.504 -2.580 9.266 1.00 0.68 H new ATOM 0 HA SER A 73 -8.065 -4.609 10.804 1.00 0.70 H new ATOM 0 HB2 SER A 73 -7.743 -3.664 7.919 1.00 0.92 H new ATOM 0 HB3 SER A 73 -6.975 -5.070 8.628 1.00 0.92 H new ATOM 0 HG SER A 73 -8.901 -5.619 7.456 1.00 1.74 H new ATOM 1037 N SER A 74 -6.993 -1.713 10.746 1.00 0.56 N ATOM 1038 CA SER A 74 -5.904 -0.788 11.064 1.00 0.56 C ATOM 1039 C SER A 74 -4.969 -0.633 9.865 1.00 0.57 C ATOM 1040 O SER A 74 -3.880 -1.205 9.818 1.00 1.03 O ATOM 1041 CB SER A 74 -5.136 -1.269 12.305 1.00 0.67 C ATOM 1042 OG SER A 74 -4.184 -0.310 12.735 1.00 1.30 O ATOM 0 H SER A 74 -7.924 -1.305 10.832 1.00 0.56 H new ATOM 0 HA SER A 74 -6.330 0.190 11.289 1.00 0.56 H new ATOM 0 HB2 SER A 74 -5.839 -1.472 13.113 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.631 -2.208 12.079 1.00 0.67 H new ATOM 0 HG SER A 74 -3.715 -0.647 13.527 1.00 1.30 H new ATOM 1048 N THR A 75 -5.407 0.153 8.897 1.00 0.33 N ATOM 1049 CA THR A 75 -4.697 0.290 7.636 1.00 0.26 C ATOM 1050 C THR A 75 -3.554 1.303 7.743 1.00 0.25 C ATOM 1051 O THR A 75 -2.686 1.354 6.873 1.00 0.24 O ATOM 1052 CB THR A 75 -5.673 0.711 6.519 1.00 0.25 C ATOM 1053 OG1 THR A 75 -5.080 0.526 5.230 1.00 0.32 O ATOM 1054 CG2 THR A 75 -6.073 2.166 6.685 1.00 0.28 C ATOM 0 H THR A 75 -6.259 0.711 8.961 1.00 0.33 H new ATOM 0 HA THR A 75 -4.264 -0.680 7.390 1.00 0.26 H new ATOM 0 HB THR A 75 -6.560 0.082 6.595 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.453 1.179 4.602 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.762 2.447 5.889 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.560 2.302 7.651 1.00 0.28 H new ATOM 0 HG23 THR A 75 -5.185 2.796 6.635 1.00 0.28 H new ATOM 1062 N SER A 76 -3.569 2.112 8.806 1.00 0.27 N ATOM 1063 CA SER A 76 -2.535 3.125 9.060 1.00 0.29 C ATOM 1064 C SER A 76 -2.601 4.275 8.046 1.00 0.24 C ATOM 1065 O SER A 76 -2.485 5.444 8.425 1.00 0.29 O ATOM 1066 CB SER A 76 -1.137 2.495 9.075 1.00 0.35 C ATOM 1067 OG SER A 76 -0.143 3.443 9.427 1.00 0.94 O ATOM 0 H SER A 76 -4.299 2.085 9.518 1.00 0.27 H new ATOM 0 HA SER A 76 -2.733 3.545 10.046 1.00 0.29 H new ATOM 0 HB2 SER A 76 -1.118 1.666 9.783 1.00 0.35 H new ATOM 0 HB3 SER A 76 -0.913 2.080 8.092 1.00 0.35 H new ATOM 0 HG SER A 76 0.736 3.010 9.429 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.769 3.952 6.766 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.963 4.969 5.745 1.00 0.15 C ATOM 1075 C ALA A 77 -4.254 5.700 6.023 1.00 0.16 C ATOM 1076 O ALA A 77 -5.304 5.072 6.115 1.00 0.24 O ATOM 1077 CB ALA A 77 -3.012 4.357 4.360 1.00 0.14 C ATOM 0 H ALA A 77 -2.774 2.994 6.415 1.00 0.17 H new ATOM 0 HA ALA A 77 -2.121 5.660 5.776 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.158 5.144 3.620 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -2.075 3.838 4.158 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.838 3.648 4.304 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.196 7.024 6.175 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.361 7.812 6.575 1.00 0.16 C ATOM 1085 C PRO A 78 -6.591 7.514 5.713 1.00 0.16 C ATOM 1086 O PRO A 78 -6.716 7.985 4.588 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.865 9.243 6.369 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.405 9.158 6.595 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.996 7.857 5.988 1.00 0.17 C ATOM 0 HA PRO A 78 -5.694 7.600 7.591 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.092 9.603 5.365 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.337 9.933 7.069 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.884 9.993 6.127 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.168 9.190 7.658 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.737 7.965 4.935 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.126 7.432 6.488 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.516 6.762 6.298 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.723 6.329 5.604 1.00 0.22 C ATOM 1099 C GLY A 79 -8.472 5.533 4.320 1.00 0.17 C ATOM 1100 O GLY A 79 -9.409 5.273 3.577 1.00 0.20 O ATOM 0 H GLY A 79 -7.451 6.436 7.262 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.317 5.718 6.284 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.320 7.207 5.360 1.00 0.22 H new ATOM 1104 N SER A 80 -7.231 5.137 4.051 1.00 0.17 N ATOM 1105 CA SER A 80 -6.868 4.560 2.754 1.00 0.14 C ATOM 1106 C SER A 80 -6.753 3.049 2.769 1.00 0.21 C ATOM 1107 O SER A 80 -6.417 2.432 3.770 1.00 0.49 O ATOM 1108 CB SER A 80 -5.554 5.147 2.285 1.00 0.18 C ATOM 1109 OG SER A 80 -5.728 5.958 1.137 1.00 0.58 O ATOM 0 H SER A 80 -6.457 5.204 4.712 1.00 0.17 H new ATOM 0 HA SER A 80 -7.680 4.811 2.072 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.112 5.739 3.086 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.854 4.342 2.060 1.00 0.18 H new ATOM 0 HG SER A 80 -6.359 5.526 0.524 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.991 2.478 1.605 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.982 1.044 1.418 1.00 0.17 C ATOM 1117 C ALA A 81 -5.595 0.504 1.090 1.00 0.17 C ATOM 1118 O ALA A 81 -5.447 -0.343 0.206 1.00 0.21 O ATOM 1119 CB ALA A 81 -7.939 0.685 0.306 1.00 0.21 C ATOM 0 H ALA A 81 -7.198 3.003 0.755 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.291 0.587 2.358 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.938 -0.395 0.159 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.944 1.014 0.571 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.627 1.177 -0.615 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.570 0.995 1.766 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.242 0.452 1.586 1.00 0.19 C ATOM 1127 C HIS A 82 -2.472 0.417 2.905 1.00 0.19 C ATOM 1128 O HIS A 82 -2.339 1.435 3.579 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.462 1.271 0.561 1.00 0.19 C ATOM 1130 CG HIS A 82 -3.028 1.276 -0.839 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.823 0.266 -1.754 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.800 2.199 -1.476 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -3.443 0.566 -2.886 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -4.042 1.732 -2.742 1.00 0.88 N ATOM 0 H HIS A 82 -4.634 1.761 2.437 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.353 -0.570 1.223 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.404 2.301 0.914 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.441 0.890 0.519 1.00 0.19 H new ATOM 0 HD2 HIS A 82 -4.157 3.130 -1.060 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -3.456 -0.043 -3.778 1.00 0.88 H new ATOM 0 HE2 HIS A 82 -4.594 2.208 -3.455 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.955 -0.757 3.251 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.128 -0.925 4.442 1.00 0.25 C ATOM 1145 C GLN A 83 -0.073 -1.986 4.193 1.00 0.22 C ATOM 1146 O GLN A 83 -0.388 -3.132 3.918 1.00 0.20 O ATOM 1147 CB GLN A 83 -1.993 -1.302 5.651 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.215 -1.780 6.878 1.00 0.74 C ATOM 1149 CD GLN A 83 -0.065 -0.867 7.281 1.00 1.25 C ATOM 1150 OE1 GLN A 83 0.923 -1.318 7.850 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -0.181 0.417 6.996 1.00 2.09 N ATOM 0 H GLN A 83 -2.096 -1.615 2.718 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.632 0.021 4.660 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.592 -0.437 5.934 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.688 -2.087 5.351 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -1.903 -1.871 7.718 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -0.821 -2.777 6.679 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -1.016 0.761 6.522 1.00 2.09 H new ATOM 0 HE22 GLN A 83 0.564 1.065 7.250 1.00 2.09 H new ATOM 1160 N ILE A 84 1.171 -1.594 4.308 1.00 0.23 N ATOM 1161 CA ILE A 84 2.278 -2.470 4.022 1.00 0.21 C ATOM 1162 C ILE A 84 2.717 -3.285 5.234 1.00 0.25 C ATOM 1163 O ILE A 84 2.883 -2.760 6.331 1.00 0.29 O ATOM 1164 CB ILE A 84 3.429 -1.628 3.473 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.111 -1.289 2.027 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.770 -2.330 3.604 1.00 0.29 C ATOM 1167 CD1 ILE A 84 2.978 0.193 1.765 1.00 0.20 C ATOM 0 H ILE A 84 1.445 -0.657 4.603 1.00 0.23 H new ATOM 0 HA ILE A 84 1.959 -3.202 3.280 1.00 0.21 H new ATOM 0 HB ILE A 84 3.522 -0.714 4.059 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.896 -1.693 1.387 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.182 -1.784 1.743 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.556 -1.692 3.200 1.00 0.29 H new ATOM 0 HG22 ILE A 84 4.973 -2.534 4.655 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.745 -3.269 3.051 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.751 0.357 0.712 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.174 0.600 2.378 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.914 0.692 2.016 1.00 0.20 H new ATOM 1179 N ASP A 85 2.903 -4.580 5.011 1.00 0.28 N ATOM 1180 CA ASP A 85 3.360 -5.486 6.052 1.00 0.32 C ATOM 1181 C ASP A 85 4.867 -5.428 6.149 1.00 0.38 C ATOM 1182 O ASP A 85 5.563 -5.851 5.238 1.00 0.37 O ATOM 1183 CB ASP A 85 2.950 -6.927 5.745 1.00 0.27 C ATOM 1184 CG ASP A 85 3.194 -7.846 6.922 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.480 -7.711 7.936 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.102 -8.698 6.842 1.00 0.54 O ATOM 0 H ASP A 85 2.742 -5.028 4.109 1.00 0.28 H new ATOM 0 HA ASP A 85 2.903 -5.177 6.992 1.00 0.32 H new ATOM 0 HB2 ASP A 85 1.894 -6.954 5.476 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.509 -7.287 4.881 1.00 0.27 H new ATOM 1191 N THR A 86 5.372 -4.912 7.244 1.00 0.49 N ATOM 1192 CA THR A 86 6.797 -4.769 7.410 1.00 0.58 C ATOM 1193 C THR A 86 7.420 -6.038 7.976 1.00 0.57 C ATOM 1194 O THR A 86 8.617 -6.276 7.818 1.00 0.63 O ATOM 1195 CB THR A 86 7.102 -3.570 8.303 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.396 -3.688 9.547 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.681 -2.301 7.591 1.00 0.82 C ATOM 0 H THR A 86 4.816 -4.584 8.034 1.00 0.49 H new ATOM 0 HA THR A 86 7.239 -4.598 6.429 1.00 0.58 H new ATOM 0 HB THR A 86 8.171 -3.537 8.511 1.00 0.75 H new ATOM 0 HG1 THR A 86 6.600 -2.915 10.113 1.00 0.81 H new ATOM 0 HG21 THR A 86 6.896 -1.440 8.224 1.00 0.82 H new ATOM 0 HG22 THR A 86 7.231 -2.210 6.655 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.612 -2.339 7.381 1.00 0.82 H new ATOM 1205 N THR A 87 6.593 -6.850 8.623 1.00 0.52 N ATOM 1206 CA THR A 87 7.024 -8.138 9.142 1.00 0.54 C ATOM 1207 C THR A 87 7.545 -9.037 8.019 1.00 0.50 C ATOM 1208 O THR A 87 8.678 -9.521 8.068 1.00 0.54 O ATOM 1209 CB THR A 87 5.864 -8.844 9.867 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.458 -8.077 11.009 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.264 -10.242 10.299 1.00 0.58 C ATOM 0 H THR A 87 5.612 -6.635 8.801 1.00 0.52 H new ATOM 0 HA THR A 87 7.833 -7.955 9.849 1.00 0.54 H new ATOM 0 HB THR A 87 5.028 -8.926 9.172 1.00 0.58 H new ATOM 0 HG1 THR A 87 4.719 -8.533 11.463 1.00 0.71 H new ATOM 0 HG21 THR A 87 5.427 -10.719 10.809 1.00 0.58 H new ATOM 0 HG22 THR A 87 6.537 -10.829 9.422 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.116 -10.184 10.977 1.00 0.58 H new ATOM 1219 N ASN A 88 6.714 -9.255 7.011 1.00 0.47 N ATOM 1220 CA ASN A 88 7.095 -10.081 5.874 1.00 0.53 C ATOM 1221 C ASN A 88 7.625 -9.212 4.745 1.00 0.52 C ATOM 1222 O ASN A 88 8.192 -9.708 3.769 1.00 0.64 O ATOM 1223 CB ASN A 88 5.903 -10.904 5.388 1.00 0.59 C ATOM 1224 CG ASN A 88 5.434 -11.911 6.417 1.00 0.76 C ATOM 1225 OD1 ASN A 88 5.872 -13.058 6.423 1.00 1.26 O ATOM 1226 ND2 ASN A 88 4.542 -11.483 7.296 1.00 1.50 N ATOM 0 H ASN A 88 5.770 -8.871 6.957 1.00 0.47 H new ATOM 0 HA ASN A 88 7.883 -10.763 6.192 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.080 -10.234 5.139 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.176 -11.427 4.471 1.00 0.59 H new ATOM 0 HD21 ASN A 88 4.191 -12.115 8.016 1.00 1.50 H new ATOM 0 HD22 ASN A 88 4.205 -10.521 7.254 1.00 1.50 H new ATOM 1233 N HIS A 89 7.400 -7.905 4.890 1.00 0.47 N ATOM 1234 CA HIS A 89 7.926 -6.898 3.975 1.00 0.53 C ATOM 1235 C HIS A 89 7.185 -6.946 2.648 1.00 0.43 C ATOM 1236 O HIS A 89 7.780 -6.966 1.568 1.00 0.45 O ATOM 1237 CB HIS A 89 9.431 -7.062 3.788 1.00 0.72 C ATOM 1238 CG HIS A 89 10.239 -6.345 4.826 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.253 -6.939 5.546 1.00 1.28 N ATOM 1240 CD2 HIS A 89 10.191 -5.058 5.245 1.00 0.96 C ATOM 1241 CE1 HIS A 89 11.793 -6.050 6.358 1.00 1.48 C ATOM 1242 NE2 HIS A 89 11.167 -4.901 6.196 1.00 1.26 N ATOM 0 H HIS A 89 6.844 -7.516 5.651 1.00 0.47 H new ATOM 0 HA HIS A 89 7.761 -5.913 4.412 1.00 0.53 H new ATOM 0 HB2 HIS A 89 9.680 -8.123 3.813 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.710 -6.692 2.801 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.510 -4.296 4.895 1.00 0.96 H new ATOM 0 HE1 HIS A 89 12.610 -6.233 7.040 1.00 1.48 H new ATOM 0 HE2 HIS A 89 11.375 -4.037 6.696 1.00 1.26 H new ATOM 1251 N LYS A 90 5.870 -6.955 2.764 1.00 0.35 N ATOM 1252 CA LYS A 90 4.971 -7.011 1.635 1.00 0.28 C ATOM 1253 C LYS A 90 4.188 -5.713 1.504 1.00 0.23 C ATOM 1254 O LYS A 90 3.837 -5.089 2.499 1.00 0.26 O ATOM 1255 CB LYS A 90 4.000 -8.162 1.855 1.00 0.30 C ATOM 1256 CG LYS A 90 4.505 -9.509 1.368 1.00 0.33 C ATOM 1257 CD LYS A 90 3.505 -10.614 1.676 1.00 0.32 C ATOM 1258 CE LYS A 90 3.178 -10.667 3.160 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.214 -11.755 3.481 1.00 0.44 N ATOM 0 H LYS A 90 5.392 -6.923 3.664 1.00 0.35 H new ATOM 0 HA LYS A 90 5.547 -7.158 0.722 1.00 0.28 H new ATOM 0 HB2 LYS A 90 3.776 -8.234 2.919 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.063 -7.933 1.347 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.685 -9.466 0.294 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.460 -9.736 1.842 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.591 -10.449 1.106 1.00 0.32 H new ATOM 0 HD3 LYS A 90 3.911 -11.574 1.357 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.096 -10.817 3.728 1.00 0.34 H new ATOM 0 HE3 LYS A 90 2.762 -9.710 3.474 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 2.019 -11.756 4.502 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.328 -11.599 2.959 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 2.621 -12.672 3.206 1.00 0.44 H new ATOM 1273 N LEU A 91 3.893 -5.333 0.279 1.00 0.20 N ATOM 1274 CA LEU A 91 3.014 -4.205 0.022 1.00 0.17 C ATOM 1275 C LEU A 91 1.609 -4.757 -0.079 1.00 0.14 C ATOM 1276 O LEU A 91 1.213 -5.332 -1.090 1.00 0.17 O ATOM 1277 CB LEU A 91 3.442 -3.456 -1.261 1.00 0.26 C ATOM 1278 CG LEU A 91 2.607 -2.235 -1.748 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.267 -2.053 -1.051 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.406 -0.965 -1.624 1.00 0.16 C ATOM 0 H LEU A 91 4.250 -5.789 -0.561 1.00 0.20 H new ATOM 0 HA LEU A 91 3.066 -3.471 0.826 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.466 -3.114 -1.114 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.462 -4.183 -2.073 1.00 0.26 H new ATOM 0 HG LEU A 91 2.379 -2.454 -2.791 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.761 -1.178 -1.458 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.650 -2.937 -1.212 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.429 -1.914 0.018 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.806 -0.123 -1.969 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.683 -0.810 -0.581 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.308 -1.042 -2.232 1.00 0.16 H new ATOM 1292 N ILE A 92 0.879 -4.570 0.995 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.500 -4.958 1.088 1.00 0.16 C ATOM 1294 C ILE A 92 -1.383 -3.764 0.799 1.00 0.17 C ATOM 1295 O ILE A 92 -1.072 -2.631 1.166 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.803 -5.493 2.501 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.331 -6.934 2.654 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.279 -5.386 2.853 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.149 -7.065 2.855 1.00 0.22 C ATOM 0 H ILE A 92 1.239 -4.134 1.844 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.699 -5.743 0.359 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.250 -4.864 3.198 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.845 -7.388 3.501 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.620 -7.498 1.767 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.443 -5.775 3.858 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.588 -4.341 2.814 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.866 -5.965 2.140 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.411 -8.118 2.956 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.672 -6.642 1.997 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.442 -6.530 3.758 1.00 0.22 H new ATOM 1311 N SER A 93 -2.462 -4.009 0.112 1.00 0.20 N ATOM 1312 CA SER A 93 -3.453 -2.995 -0.083 1.00 0.26 C ATOM 1313 C SER A 93 -4.722 -3.436 0.617 1.00 0.37 C ATOM 1314 O SER A 93 -5.394 -4.342 0.148 1.00 0.61 O ATOM 1315 CB SER A 93 -3.669 -2.791 -1.568 1.00 0.40 C ATOM 1316 OG SER A 93 -2.420 -2.668 -2.236 1.00 1.41 O ATOM 0 H SER A 93 -2.676 -4.906 -0.323 1.00 0.20 H new ATOM 0 HA SER A 93 -3.136 -2.041 0.338 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.228 -3.631 -1.980 1.00 0.40 H new ATOM 0 HB3 SER A 93 -4.268 -1.896 -1.736 1.00 0.40 H new ATOM 0 HG SER A 93 -2.177 -1.721 -2.303 1.00 1.41 H new ATOM 1322 N THR A 94 -5.034 -2.803 1.736 1.00 0.34 N ATOM 1323 CA THR A 94 -6.057 -3.304 2.629 1.00 0.38 C ATOM 1324 C THR A 94 -7.370 -2.587 2.418 1.00 0.42 C ATOM 1325 O THR A 94 -7.504 -1.412 2.743 1.00 0.49 O ATOM 1326 CB THR A 94 -5.640 -3.111 4.094 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.336 -3.658 4.314 1.00 0.45 O ATOM 1328 CG2 THR A 94 -6.642 -3.774 5.022 1.00 0.48 C ATOM 0 H THR A 94 -4.590 -1.938 2.045 1.00 0.34 H new ATOM 0 HA THR A 94 -6.179 -4.364 2.408 1.00 0.38 H new ATOM 0 HB THR A 94 -5.617 -2.042 4.308 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.207 -3.821 5.272 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.332 -3.628 6.057 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.626 -3.330 4.872 1.00 0.48 H new ATOM 0 HG23 THR A 94 -6.689 -4.841 4.804 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.347 -3.295 1.903 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.655 -2.717 1.743 1.00 0.50 C ATOM 1338 C PHE A 95 -10.568 -3.219 2.817 1.00 0.53 C ATOM 1339 O PHE A 95 -11.088 -4.319 2.695 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.275 -3.094 0.415 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.344 -2.121 0.002 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.644 -2.260 0.461 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.042 -1.049 -0.823 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.620 -1.351 0.106 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -12.015 -0.140 -1.186 1.00 1.13 C ATOM 1346 CZ PHE A 95 -13.306 -0.291 -0.723 1.00 1.23 C ATOM 0 H PHE A 95 -8.261 -4.262 1.591 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.533 -1.635 1.796 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.500 -3.130 -0.351 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.701 -4.095 0.484 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.897 -3.090 1.104 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.033 -0.923 -1.186 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.628 -1.468 0.476 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -11.766 0.689 -1.832 1.00 1.13 H new ATOM 0 HZ PHE A 95 -14.069 0.418 -1.008 1.00 1.23 H new ATOM 1356 N THR A 96 -10.788 -2.422 3.835 1.00 0.60 N ATOM 1357 CA THR A 96 -11.725 -2.789 4.865 1.00 0.69 C ATOM 1358 C THR A 96 -13.140 -2.419 4.425 1.00 0.86 C ATOM 1359 O THR A 96 -13.536 -1.253 4.490 1.00 1.02 O ATOM 1360 CB THR A 96 -11.386 -2.105 6.193 1.00 0.79 C ATOM 1361 OG1 THR A 96 -10.051 -1.582 6.151 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.491 -3.103 7.324 1.00 0.74 C ATOM 0 H THR A 96 -10.332 -1.519 3.971 1.00 0.60 H new ATOM 0 HA THR A 96 -11.663 -3.866 5.021 1.00 0.69 H new ATOM 0 HB THR A 96 -12.090 -1.289 6.356 1.00 0.79 H new ATOM 0 HG1 THR A 96 -10.028 -0.707 6.592 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.249 -2.612 8.266 1.00 0.74 H new ATOM 0 HG22 THR A 96 -12.507 -3.495 7.370 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.793 -3.922 7.152 1.00 0.74 H new ATOM 1370 N PRO A 97 -13.904 -3.416 3.945 1.00 0.92 N ATOM 1371 CA PRO A 97 -15.214 -3.198 3.333 1.00 1.14 C ATOM 1372 C PRO A 97 -16.237 -2.570 4.273 1.00 1.26 C ATOM 1373 O PRO A 97 -16.047 -2.521 5.494 1.00 1.22 O ATOM 1374 CB PRO A 97 -15.672 -4.601 2.938 1.00 1.19 C ATOM 1375 CG PRO A 97 -14.815 -5.550 3.690 1.00 1.04 C ATOM 1376 CD PRO A 97 -13.534 -4.840 3.955 1.00 0.83 C ATOM 0 HA PRO A 97 -15.134 -2.497 2.502 1.00 1.14 H new ATOM 0 HB2 PRO A 97 -16.724 -4.749 3.183 1.00 1.19 H new ATOM 0 HB3 PRO A 97 -15.571 -4.754 1.864 1.00 1.19 H new ATOM 0 HG2 PRO A 97 -15.293 -5.850 4.623 1.00 1.04 H new ATOM 0 HG3 PRO A 97 -14.643 -6.459 3.113 1.00 1.04 H new ATOM 0 HD2 PRO A 97 -13.106 -5.134 4.914 1.00 0.83 H new ATOM 0 HD3 PRO A 97 -12.789 -5.064 3.191 1.00 0.83 H new ATOM 1384 N SER A 98 -17.333 -2.107 3.678 1.00 1.46 N ATOM 1385 CA SER A 98 -18.418 -1.470 4.406 1.00 1.59 C ATOM 1386 C SER A 98 -19.143 -2.480 5.288 1.00 1.54 C ATOM 1387 O SER A 98 -19.810 -2.115 6.256 1.00 1.61 O ATOM 1388 CB SER A 98 -19.394 -0.843 3.413 1.00 1.88 C ATOM 1389 OG SER A 98 -18.699 -0.094 2.427 1.00 2.35 O ATOM 0 H SER A 98 -17.491 -2.165 2.672 1.00 1.46 H new ATOM 0 HA SER A 98 -18.004 -0.694 5.050 1.00 1.59 H new ATOM 0 HB2 SER A 98 -19.984 -1.624 2.934 1.00 1.88 H new ATOM 0 HB3 SER A 98 -20.093 -0.195 3.943 1.00 1.88 H new ATOM 0 HG SER A 98 -19.342 0.298 1.800 1.00 2.35 H new ATOM 1395 N ASN A 99 -19.007 -3.752 4.933 1.00 1.51 N ATOM 1396 CA ASN A 99 -19.568 -4.843 5.723 1.00 1.59 C ATOM 1397 C ASN A 99 -18.808 -5.017 7.027 1.00 1.49 C ATOM 1398 O ASN A 99 -19.308 -5.612 7.983 1.00 1.65 O ATOM 1399 CB ASN A 99 -19.492 -6.147 4.939 1.00 1.69 C ATOM 1400 CG ASN A 99 -20.711 -6.402 4.075 1.00 1.99 C ATOM 1401 OD1 ASN A 99 -21.383 -5.472 3.633 1.00 2.33 O ATOM 1402 ND2 ASN A 99 -20.995 -7.668 3.815 1.00 2.36 N ATOM 0 H ASN A 99 -18.509 -4.056 4.096 1.00 1.51 H new ATOM 0 HA ASN A 99 -20.607 -4.595 5.943 1.00 1.59 H new ATOM 0 HB2 ASN A 99 -18.604 -6.131 4.306 1.00 1.69 H new ATOM 0 HB3 ASN A 99 -19.371 -6.975 5.637 1.00 1.69 H new ATOM 0 HD21 ASN A 99 -21.796 -7.901 3.229 1.00 2.36 H new ATOM 0 HD22 ASN A 99 -20.412 -8.411 4.201 1.00 2.36 H new ATOM 1409 N GLY A 100 -17.595 -4.492 7.054 1.00 1.31 N ATOM 1410 CA GLY A 100 -16.745 -4.621 8.219 1.00 1.30 C ATOM 1411 C GLY A 100 -16.045 -5.961 8.253 1.00 1.31 C ATOM 1412 O GLY A 100 -15.374 -6.303 9.228 1.00 1.39 O ATOM 0 H GLY A 100 -17.179 -3.973 6.281 1.00 1.31 H new ATOM 0 HA2 GLY A 100 -16.003 -3.822 8.219 1.00 1.30 H new ATOM 0 HA3 GLY A 100 -17.344 -4.500 9.122 1.00 1.30 H new ATOM 1416 N GLY A 101 -16.209 -6.714 7.174 1.00 1.28 N ATOM 1417 CA GLY A 101 -15.636 -8.039 7.080 1.00 1.33 C ATOM 1418 C GLY A 101 -14.191 -8.020 6.640 1.00 1.17 C ATOM 1419 O GLY A 101 -13.538 -6.972 6.669 1.00 1.05 O ATOM 0 H GLY A 101 -16.737 -6.424 6.351 1.00 1.28 H new ATOM 0 HA2 GLY A 101 -15.710 -8.532 8.049 1.00 1.33 H new ATOM 0 HA3 GLY A 101 -16.218 -8.633 6.375 1.00 1.33 H new ATOM 1423 N GLN A 102 -13.695 -9.183 6.239 1.00 1.21 N ATOM 1424 CA GLN A 102 -12.305 -9.334 5.837 1.00 1.07 C ATOM 1425 C GLN A 102 -11.966 -8.441 4.653 1.00 0.89 C ATOM 1426 O GLN A 102 -12.737 -8.313 3.698 1.00 0.90 O ATOM 1427 CB GLN A 102 -11.998 -10.792 5.513 1.00 1.13 C ATOM 1428 CG GLN A 102 -12.090 -11.695 6.728 1.00 1.89 C ATOM 1429 CD GLN A 102 -11.653 -13.113 6.439 1.00 2.23 C ATOM 1430 OE1 GLN A 102 -10.481 -13.451 6.588 1.00 2.80 O ATOM 1431 NE2 GLN A 102 -12.592 -13.949 6.029 1.00 2.53 N ATOM 0 H GLN A 102 -14.242 -10.042 6.184 1.00 1.21 H new ATOM 0 HA GLN A 102 -11.682 -9.023 6.675 1.00 1.07 H new ATOM 0 HB2 GLN A 102 -12.693 -11.144 4.751 1.00 1.13 H new ATOM 0 HB3 GLN A 102 -10.996 -10.862 5.089 1.00 1.13 H new ATOM 0 HG2 GLN A 102 -11.472 -11.285 7.527 1.00 1.89 H new ATOM 0 HG3 GLN A 102 -13.117 -11.703 7.092 1.00 1.89 H new ATOM 0 HE21 GLN A 102 -13.552 -13.623 5.920 1.00 2.53 H new ATOM 0 HE22 GLN A 102 -12.356 -14.919 5.822 1.00 2.53 H new ATOM 1440 N ALA A 103 -10.796 -7.833 4.738 1.00 0.76 N ATOM 1441 CA ALA A 103 -10.355 -6.847 3.767 1.00 0.61 C ATOM 1442 C ALA A 103 -9.854 -7.476 2.496 1.00 0.58 C ATOM 1443 O ALA A 103 -9.369 -8.608 2.466 1.00 0.64 O ATOM 1444 CB ALA A 103 -9.273 -5.967 4.363 1.00 0.52 C ATOM 0 H ALA A 103 -10.123 -8.009 5.484 1.00 0.76 H new ATOM 0 HA ALA A 103 -11.225 -6.242 3.513 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.953 -5.233 3.624 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.665 -5.451 5.240 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -8.423 -6.583 4.655 1.00 0.52 H new ATOM 1450 N THR A 104 -9.992 -6.702 1.454 1.00 0.53 N ATOM 1451 CA THR A 104 -9.525 -7.053 0.145 1.00 0.50 C ATOM 1452 C THR A 104 -8.099 -6.563 -0.026 1.00 0.43 C ATOM 1453 O THR A 104 -7.801 -5.427 0.321 1.00 0.51 O ATOM 1454 CB THR A 104 -10.449 -6.426 -0.902 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.582 -7.274 -1.140 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.716 -6.128 -2.199 1.00 0.56 C ATOM 0 H THR A 104 -10.443 -5.788 1.495 1.00 0.53 H new ATOM 0 HA THR A 104 -9.536 -8.135 0.016 1.00 0.50 H new ATOM 0 HB THR A 104 -10.800 -5.474 -0.505 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.791 -7.280 -2.098 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.408 -5.684 -2.914 1.00 0.56 H new ATOM 0 HG22 THR A 104 -8.900 -5.432 -2.004 1.00 0.56 H new ATOM 0 HG23 THR A 104 -9.313 -7.054 -2.610 1.00 0.56 H new ATOM 1464 N VAL A 105 -7.219 -7.413 -0.539 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.801 -7.088 -0.562 1.00 0.28 C ATOM 1466 C VAL A 105 -5.166 -7.283 -1.928 1.00 0.25 C ATOM 1467 O VAL A 105 -5.461 -8.236 -2.649 1.00 0.38 O ATOM 1468 CB VAL A 105 -5.023 -7.942 0.457 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.525 -7.705 0.352 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.494 -7.667 1.873 1.00 0.35 C ATOM 0 H VAL A 105 -7.458 -8.320 -0.939 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.741 -6.031 -0.303 1.00 0.28 H new ATOM 0 HB VAL A 105 -5.222 -8.987 0.220 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -3.007 -8.323 1.085 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -3.184 -7.967 -0.650 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.308 -6.654 0.545 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.928 -8.284 2.571 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.339 -6.614 2.110 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.554 -7.905 1.956 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.297 -6.345 -2.264 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.404 -6.468 -3.398 1.00 0.17 C ATOM 1482 C LEU A 106 -1.973 -6.440 -2.883 1.00 0.15 C ATOM 1483 O LEU A 106 -1.544 -5.444 -2.293 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.634 -5.335 -4.397 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.901 -5.442 -5.245 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.958 -6.796 -5.933 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.160 -5.219 -4.403 1.00 0.26 C ATOM 0 H LEU A 106 -4.192 -5.470 -1.751 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.597 -7.407 -3.917 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -3.665 -4.393 -3.849 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.775 -5.286 -5.066 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.865 -4.658 -6.002 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.865 -6.861 -6.534 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -4.087 -6.914 -6.577 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.964 -7.586 -5.182 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -7.042 -5.302 -5.038 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.208 -5.970 -3.615 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.127 -4.225 -3.956 1.00 0.26 H new ATOM 1499 N THR A 107 -1.241 -7.521 -3.101 1.00 0.15 N ATOM 1500 CA THR A 107 0.045 -7.707 -2.440 1.00 0.12 C ATOM 1501 C THR A 107 1.224 -7.663 -3.418 1.00 0.12 C ATOM 1502 O THR A 107 1.099 -8.017 -4.591 1.00 0.19 O ATOM 1503 CB THR A 107 0.078 -9.043 -1.671 1.00 0.17 C ATOM 1504 OG1 THR A 107 -1.144 -9.221 -0.940 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.253 -9.090 -0.701 1.00 0.24 C ATOM 0 H THR A 107 -1.511 -8.280 -3.726 1.00 0.15 H new ATOM 0 HA THR A 107 0.152 -6.874 -1.745 1.00 0.12 H new ATOM 0 HB THR A 107 0.193 -9.845 -2.400 1.00 0.17 H new ATOM 0 HG1 THR A 107 -1.115 -10.073 -0.456 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.251 -10.043 -0.173 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.186 -8.984 -1.254 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.163 -8.276 0.019 1.00 0.24 H new ATOM 1513 N TYR A 108 2.353 -7.186 -2.910 1.00 0.13 N ATOM 1514 CA TYR A 108 3.616 -7.178 -3.631 1.00 0.15 C ATOM 1515 C TYR A 108 4.743 -7.501 -2.656 1.00 0.17 C ATOM 1516 O TYR A 108 4.689 -7.108 -1.495 1.00 0.20 O ATOM 1517 CB TYR A 108 3.843 -5.811 -4.290 1.00 0.17 C ATOM 1518 CG TYR A 108 5.296 -5.423 -4.456 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.884 -4.527 -3.574 1.00 0.16 C ATOM 1520 CD2 TYR A 108 6.073 -5.931 -5.490 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.199 -4.146 -3.713 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.397 -5.558 -5.635 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.955 -4.664 -4.742 1.00 0.20 C ATOM 1524 OH TYR A 108 9.270 -4.284 -4.881 1.00 0.23 O ATOM 0 H TYR A 108 2.416 -6.789 -1.973 1.00 0.13 H new ATOM 0 HA TYR A 108 3.595 -7.930 -4.419 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.367 -5.812 -5.271 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.343 -5.048 -3.694 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.298 -4.121 -2.763 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.637 -6.627 -6.191 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.637 -3.444 -3.019 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.991 -5.963 -6.441 1.00 0.21 H new ATOM 0 HH TYR A 108 9.662 -4.740 -5.655 1.00 0.23 H new ATOM 1534 N ASP A 109 5.755 -8.209 -3.119 1.00 0.17 N ATOM 1535 CA ASP A 109 6.845 -8.625 -2.264 1.00 0.19 C ATOM 1536 C ASP A 109 8.092 -7.800 -2.535 1.00 0.23 C ATOM 1537 O ASP A 109 8.710 -7.937 -3.590 1.00 0.29 O ATOM 1538 CB ASP A 109 7.167 -10.095 -2.512 1.00 0.23 C ATOM 1539 CG ASP A 109 6.010 -11.024 -2.219 1.00 1.27 C ATOM 1540 OD1 ASP A 109 5.890 -11.489 -1.067 1.00 1.94 O ATOM 1541 OD2 ASP A 109 5.226 -11.314 -3.149 1.00 1.85 O ATOM 0 H ASP A 109 5.843 -8.509 -4.090 1.00 0.17 H new ATOM 0 HA ASP A 109 6.536 -8.477 -1.229 1.00 0.19 H new ATOM 0 HB2 ASP A 109 7.470 -10.222 -3.551 1.00 0.23 H new ATOM 0 HB3 ASP A 109 8.018 -10.382 -1.894 1.00 0.23 H new ATOM 1546 N TRP A 110 8.459 -6.936 -1.598 1.00 0.24 N ATOM 1547 CA TRP A 110 9.721 -6.217 -1.702 1.00 0.30 C ATOM 1548 C TRP A 110 10.859 -7.112 -1.229 1.00 0.43 C ATOM 1549 O TRP A 110 11.941 -7.131 -1.811 1.00 0.52 O ATOM 1550 CB TRP A 110 9.698 -4.909 -0.899 1.00 0.26 C ATOM 1551 CG TRP A 110 11.068 -4.342 -0.672 1.00 0.30 C ATOM 1552 CD1 TRP A 110 11.837 -3.678 -1.577 1.00 0.74 C ATOM 1553 CD2 TRP A 110 11.838 -4.412 0.533 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.036 -3.323 -1.006 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.059 -3.766 0.290 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.611 -4.957 1.794 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.048 -3.652 1.262 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.591 -4.845 2.760 1.00 2.91 C ATOM 1559 CH2 TRP A 110 13.797 -4.198 2.490 1.00 2.54 C ATOM 0 H TRP A 110 7.909 -6.718 -0.767 1.00 0.24 H new ATOM 0 HA TRP A 110 9.876 -5.952 -2.748 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.089 -4.175 -1.426 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.220 -5.088 0.064 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.548 -3.462 -2.595 1.00 0.74 H new ATOM 0 HE1 TRP A 110 13.786 -2.813 -1.472 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.681 -5.460 2.013 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 14.981 -3.150 1.054 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.421 -5.265 3.740 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.546 -4.127 3.265 1.00 2.54 H new ATOM 1570 N SER A 111 10.588 -7.866 -0.178 1.00 0.53 N ATOM 1571 CA SER A 111 11.546 -8.804 0.379 1.00 0.69 C ATOM 1572 C SER A 111 11.934 -9.868 -0.638 1.00 0.68 C ATOM 1573 O SER A 111 13.086 -10.295 -0.708 1.00 0.85 O ATOM 1574 CB SER A 111 10.930 -9.451 1.611 1.00 0.82 C ATOM 1575 OG SER A 111 9.554 -9.735 1.398 1.00 1.56 O ATOM 0 H SER A 111 9.695 -7.845 0.314 1.00 0.53 H new ATOM 0 HA SER A 111 12.455 -8.267 0.651 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.463 -10.371 1.849 1.00 0.82 H new ATOM 0 HB3 SER A 111 11.040 -8.788 2.469 1.00 0.82 H new ATOM 0 HG SER A 111 9.081 -9.723 2.256 1.00 1.56 H new ATOM 1581 N ALA A 112 10.961 -10.286 -1.428 1.00 0.63 N ATOM 1582 CA ALA A 112 11.187 -11.301 -2.445 1.00 0.84 C ATOM 1583 C ALA A 112 11.595 -10.680 -3.772 1.00 1.74 C ATOM 1584 O ALA A 112 11.715 -11.369 -4.784 1.00 1.93 O ATOM 1585 CB ALA A 112 9.948 -12.156 -2.623 1.00 1.01 C ATOM 0 H ALA A 112 10.003 -9.938 -1.385 1.00 0.63 H new ATOM 0 HA ALA A 112 12.008 -11.933 -2.106 1.00 0.84 H new ATOM 0 HB1 ALA A 112 10.133 -12.911 -3.387 1.00 1.01 H new ATOM 0 HB2 ALA A 112 9.706 -12.646 -1.680 1.00 1.01 H new ATOM 0 HB3 ALA A 112 9.113 -11.527 -2.930 1.00 1.01 H new ATOM 1591 N ASN A 113 11.817 -9.382 -3.754 1.00 2.66 N ATOM 1592 CA ASN A 113 12.254 -8.663 -4.945 1.00 3.90 C ATOM 1593 C ASN A 113 13.767 -8.733 -5.042 1.00 4.58 C ATOM 1594 O ASN A 113 14.476 -7.781 -4.713 1.00 5.50 O ATOM 1595 CB ASN A 113 11.793 -7.203 -4.907 1.00 4.77 C ATOM 1596 CG ASN A 113 12.069 -6.461 -6.204 1.00 5.70 C ATOM 1597 OD1 ASN A 113 13.138 -5.877 -6.386 1.00 6.43 O ATOM 1598 ND2 ASN A 113 11.106 -6.468 -7.111 1.00 5.99 N ATOM 0 H ASN A 113 11.703 -8.796 -2.927 1.00 2.66 H new ATOM 0 HA ASN A 113 11.807 -9.130 -5.822 1.00 3.90 H new ATOM 0 HB2 ASN A 113 10.724 -7.170 -4.696 1.00 4.77 H new ATOM 0 HB3 ASN A 113 12.295 -6.690 -4.087 1.00 4.77 H new ATOM 0 HD21 ASN A 113 11.236 -5.979 -7.996 1.00 5.99 H new ATOM 0 HD22 ASN A 113 10.234 -6.963 -6.925 1.00 5.99 H new ATOM 1605 N GLY A 114 14.254 -9.878 -5.472 1.00 4.42 N ATOM 1606 CA GLY A 114 15.674 -10.086 -5.580 1.00 5.31 C ATOM 1607 C GLY A 114 16.033 -11.541 -5.425 1.00 5.08 C ATOM 1608 O GLY A 114 15.149 -12.388 -5.270 1.00 5.11 O ATOM 0 H GLY A 114 13.684 -10.676 -5.751 1.00 4.42 H new ATOM 0 HA2 GLY A 114 16.023 -9.725 -6.548 1.00 5.31 H new ATOM 0 HA3 GLY A 114 16.187 -9.500 -4.817 1.00 5.31 H new ATOM 1612 N VAL A 115 17.320 -11.832 -5.462 1.00 5.27 N ATOM 1613 CA VAL A 115 17.804 -13.186 -5.372 1.00 5.54 C ATOM 1614 C VAL A 115 19.307 -13.183 -5.148 1.00 5.84 C ATOM 1615 O VAL A 115 20.018 -12.290 -5.617 1.00 6.24 O ATOM 1616 CB VAL A 115 17.472 -13.979 -6.656 1.00 6.36 C ATOM 1617 CG1 VAL A 115 18.242 -13.442 -7.856 1.00 7.05 C ATOM 1618 CG2 VAL A 115 17.738 -15.467 -6.460 1.00 6.96 C ATOM 0 H VAL A 115 18.055 -11.131 -5.556 1.00 5.27 H new ATOM 0 HA VAL A 115 17.309 -13.670 -4.530 1.00 5.54 H new ATOM 0 HB VAL A 115 16.409 -13.848 -6.860 1.00 6.36 H new ATOM 0 HG11 VAL A 115 17.985 -14.022 -8.742 1.00 7.05 H new ATOM 0 HG12 VAL A 115 17.980 -12.396 -8.018 1.00 7.05 H new ATOM 0 HG13 VAL A 115 19.312 -13.523 -7.667 1.00 7.05 H new ATOM 0 HG21 VAL A 115 17.497 -16.004 -7.378 1.00 6.96 H new ATOM 0 HG22 VAL A 115 18.789 -15.620 -6.216 1.00 6.96 H new ATOM 0 HG23 VAL A 115 17.118 -15.843 -5.646 1.00 6.96 H new ATOM 1628 N ASN A 116 19.776 -14.158 -4.400 1.00 6.03 N ATOM 1629 CA ASN A 116 21.197 -14.359 -4.216 1.00 6.77 C ATOM 1630 C ASN A 116 21.791 -14.898 -5.509 1.00 7.60 C ATOM 1631 O ASN A 116 21.306 -15.898 -6.040 1.00 7.94 O ATOM 1632 CB ASN A 116 21.416 -15.333 -3.065 1.00 7.12 C ATOM 1633 CG ASN A 116 22.883 -15.612 -2.785 1.00 7.81 C ATOM 1634 OD1 ASN A 116 23.748 -14.781 -3.047 1.00 8.34 O ATOM 1635 ND2 ASN A 116 23.167 -16.781 -2.228 1.00 8.08 N ATOM 0 H ASN A 116 19.188 -14.829 -3.906 1.00 6.03 H new ATOM 0 HA ASN A 116 21.690 -13.418 -3.972 1.00 6.77 H new ATOM 0 HB2 ASN A 116 20.951 -14.931 -2.165 1.00 7.12 H new ATOM 0 HB3 ASN A 116 20.911 -16.272 -3.292 1.00 7.12 H new ATOM 0 HD21 ASN A 116 24.133 -17.017 -2.002 1.00 8.08 H new ATOM 0 HD22 ASN A 116 22.419 -17.445 -2.026 1.00 8.08 H new ATOM 1642 N SER A 117 22.818 -14.224 -6.013 1.00 8.17 N ATOM 1643 CA SER A 117 23.387 -14.532 -7.321 1.00 9.18 C ATOM 1644 C SER A 117 23.948 -15.951 -7.381 1.00 9.70 C ATOM 1645 O SER A 117 25.088 -16.204 -6.994 1.00 10.53 O ATOM 1646 CB SER A 117 24.477 -13.517 -7.662 1.00 9.92 C ATOM 1647 OG SER A 117 23.974 -12.190 -7.582 1.00 9.90 O ATOM 0 H SER A 117 23.278 -13.452 -5.530 1.00 8.17 H new ATOM 0 HA SER A 117 22.585 -14.469 -8.057 1.00 9.18 H new ATOM 0 HB2 SER A 117 25.317 -13.634 -6.977 1.00 9.92 H new ATOM 0 HB3 SER A 117 24.856 -13.707 -8.666 1.00 9.92 H new ATOM 0 HG SER A 117 24.688 -11.556 -7.802 1.00 9.90 H new ATOM 1653 N ASN A 118 23.125 -16.871 -7.855 1.00 9.37 N ATOM 1654 CA ASN A 118 23.532 -18.253 -8.038 1.00 10.00 C ATOM 1655 C ASN A 118 23.244 -18.685 -9.463 1.00 10.75 C ATOM 1656 O ASN A 118 24.161 -18.600 -10.307 1.00 11.23 O ATOM 1657 CB ASN A 118 22.804 -19.179 -7.059 1.00 9.57 C ATOM 1658 CG ASN A 118 23.288 -19.026 -5.633 1.00 9.83 C ATOM 1659 OD1 ASN A 118 24.239 -19.687 -5.212 1.00 10.17 O ATOM 1660 ND2 ASN A 118 22.640 -18.160 -4.876 1.00 9.94 N ATOM 1661 OXT ASN A 118 22.096 -19.083 -9.742 1.00 11.04 O ATOM 0 H ASN A 118 22.159 -16.682 -8.123 1.00 9.37 H new ATOM 0 HA ASN A 118 24.602 -18.323 -7.841 1.00 10.00 H new ATOM 0 HB2 ASN A 118 21.734 -18.973 -7.098 1.00 9.57 H new ATOM 0 HB3 ASN A 118 22.941 -20.213 -7.375 1.00 9.57 H new ATOM 0 HD21 ASN A 118 22.922 -18.019 -3.906 1.00 9.94 H new ATOM 0 HD22 ASN A 118 21.857 -17.631 -5.261 1.00 9.94 H new TER 1668 ASN A 118