USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.77) USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 96 THR OG1 : rot -107:sc= 0.118! USER MOD Set 3.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.764 K(o=-0.76,f=-2.9) USER MOD Set 3.3: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 ASN : amide:sc= -0.0146 K(o=-0.076,f=-0.97) USER MOD Set 4.2: A 89 HIS : no HD1:sc= -0.0616 X(o=-0.076,f=-0.036) USER MOD Set 5.1: A 82 HIS : no HD1:sc= 1.04 K(o=2.4,f=-10!) USER MOD Set 5.2: A 93 SER OG : rot -84:sc= 1.33 USER MOD Set 6.1: A 63 ASN : amide:sc= 0.784 K(o=1.4,f=-9.3!) USER MOD Set 6.2: A 67 LYS NZ :NH3+ -159:sc= 0.577 (180deg=-1.15) USER MOD Set 7.1: A 54 ASN : amide:sc= 0.325 X(o=1.5,f=1) USER MOD Set 7.2: A 64 SER OG : rot -169:sc= 1.14 USER MOD Single : A 7 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.7!) USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.4) USER MOD Single : A 24 SER OG : rot 78:sc= 0.752 USER MOD Single : A 28 SER OG : rot 95:sc= 1.32 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0601 K(o=-0.06,f=-5.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00837) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -153:sc= -1.1 (180deg=-2.91) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= -1.18 (180deg=-1.24) 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 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.276 K(o=-0.28,f=-0.89!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -163:sc= 0.855 USER MOD Single : A 80 SER OG : rot 25:sc= 0.87 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00663 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 140:sc= -2.99! USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -18.227 -5.204 -4.855 1.00 0.86 N ATOM 22 CA GLN A 7 -16.869 -4.830 -4.502 1.00 0.74 C ATOM 23 C GLN A 7 -15.918 -5.999 -4.631 1.00 0.69 C ATOM 24 O GLN A 7 -14.730 -5.795 -4.729 1.00 0.64 O ATOM 25 CB GLN A 7 -16.775 -4.263 -3.090 1.00 0.85 C ATOM 26 CG GLN A 7 -15.433 -3.597 -2.793 1.00 0.75 C ATOM 27 CD GLN A 7 -15.336 -2.221 -3.417 1.00 1.15 C ATOM 28 OE1 GLN A 7 -16.342 -1.533 -3.591 1.00 1.96 O ATOM 29 NE2 GLN A 7 -14.130 -1.808 -3.756 1.00 1.70 N ATOM 0 HA GLN A 7 -16.580 -4.052 -5.208 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.574 -3.536 -2.944 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -16.941 -5.066 -2.372 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.298 -3.517 -1.714 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -14.625 -4.224 -3.170 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -13.321 -2.408 -3.595 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -14.006 -0.888 -4.179 1.00 1.70 H new ATOM 38 N ASP A 8 -16.423 -7.220 -4.636 1.00 0.78 N ATOM 39 CA ASP A 8 -15.546 -8.384 -4.747 1.00 0.84 C ATOM 40 C ASP A 8 -14.747 -8.327 -6.047 1.00 0.77 C ATOM 41 O ASP A 8 -13.602 -8.773 -6.115 1.00 0.84 O ATOM 42 CB ASP A 8 -16.352 -9.678 -4.662 1.00 1.01 C ATOM 43 CG ASP A 8 -15.496 -10.917 -4.841 1.00 1.83 C ATOM 44 OD1 ASP A 8 -15.418 -11.434 -5.979 1.00 1.78 O ATOM 45 OD2 ASP A 8 -14.905 -11.386 -3.844 1.00 2.81 O ATOM 0 H ASP A 8 -17.418 -7.435 -4.566 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.845 -8.368 -3.913 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -16.854 -9.725 -3.695 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -17.130 -9.667 -5.425 1.00 1.01 H new ATOM 50 N ASN A 9 -15.353 -7.751 -7.065 1.00 0.72 N ATOM 51 CA ASN A 9 -14.670 -7.494 -8.322 1.00 0.70 C ATOM 52 C ASN A 9 -13.947 -6.159 -8.261 1.00 0.55 C ATOM 53 O ASN A 9 -12.841 -6.003 -8.781 1.00 0.53 O ATOM 54 CB ASN A 9 -15.689 -7.480 -9.459 1.00 0.80 C ATOM 55 CG ASN A 9 -15.079 -7.212 -10.824 1.00 1.28 C ATOM 56 OD1 ASN A 9 -13.855 -7.669 -11.044 1.00 2.04 O flip ATOM 57 ND2 ASN A 9 -15.717 -6.607 -11.686 1.00 1.78 N flip ATOM 0 H ASN A 9 -16.327 -7.448 -7.048 1.00 0.72 H new ATOM 0 HA ASN A 9 -13.937 -8.281 -8.500 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.205 -8.440 -9.484 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -16.441 -6.719 -9.251 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -16.657 -6.269 -11.481 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -15.305 -6.444 -12.605 1.00 1.78 H new ATOM 64 N ALA A 10 -14.574 -5.206 -7.594 1.00 0.51 N ATOM 65 CA ALA A 10 -14.056 -3.852 -7.529 1.00 0.45 C ATOM 66 C ALA A 10 -12.776 -3.787 -6.734 1.00 0.38 C ATOM 67 O ALA A 10 -11.808 -3.202 -7.186 1.00 0.35 O ATOM 68 CB ALA A 10 -15.068 -2.919 -6.915 1.00 0.49 C ATOM 0 H ALA A 10 -15.448 -5.347 -7.087 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.849 -3.540 -8.553 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.657 -1.910 -6.877 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -15.976 -2.918 -7.519 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.304 -3.253 -5.905 1.00 0.49 H new ATOM 74 N ARG A 11 -12.783 -4.404 -5.555 1.00 0.41 N ATOM 75 CA ARG A 11 -11.635 -4.402 -4.656 1.00 0.44 C ATOM 76 C ARG A 11 -10.375 -4.725 -5.420 1.00 0.35 C ATOM 77 O ARG A 11 -9.337 -4.110 -5.235 1.00 0.41 O ATOM 78 CB ARG A 11 -11.832 -5.417 -3.522 1.00 0.54 C ATOM 79 CG ARG A 11 -12.191 -6.826 -3.981 1.00 1.44 C ATOM 80 CD ARG A 11 -10.972 -7.725 -4.134 1.00 1.95 C ATOM 81 NE ARG A 11 -11.326 -9.041 -4.657 1.00 2.91 N ATOM 82 CZ ARG A 11 -10.754 -10.179 -4.267 1.00 3.53 C ATOM 83 NH1 ARG A 11 -9.849 -10.176 -3.296 1.00 3.46 N ATOM 84 NH2 ARG A 11 -11.111 -11.324 -4.827 1.00 4.41 N ATOM 0 H ARG A 11 -13.587 -4.920 -5.197 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.544 -3.407 -4.220 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -10.916 -5.464 -2.932 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.619 -5.054 -2.861 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.879 -7.273 -3.263 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -12.717 -6.770 -4.934 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -10.253 -7.251 -4.802 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -10.482 -7.839 -3.167 1.00 1.95 H new ATOM 0 HE ARG A 11 -12.058 -9.092 -5.366 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -9.588 -9.299 -2.844 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -9.414 -11.050 -3.001 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -11.824 -11.335 -5.557 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -10.673 -12.196 -4.529 1.00 4.41 H new ATOM 98 N LYS A 12 -10.501 -5.676 -6.308 1.00 0.28 N ATOM 99 CA LYS A 12 -9.410 -6.081 -7.136 1.00 0.27 C ATOM 100 C LYS A 12 -8.957 -4.918 -7.988 1.00 0.23 C ATOM 101 O LYS A 12 -7.827 -4.474 -7.883 1.00 0.37 O ATOM 102 CB LYS A 12 -9.827 -7.242 -8.033 1.00 0.37 C ATOM 103 CG LYS A 12 -8.665 -7.867 -8.759 1.00 0.49 C ATOM 104 CD LYS A 12 -7.785 -8.645 -7.805 1.00 0.94 C ATOM 105 CE LYS A 12 -6.472 -8.994 -8.456 1.00 0.88 C ATOM 106 NZ LYS A 12 -5.740 -10.043 -7.700 1.00 1.56 N ATOM 0 H LYS A 12 -11.367 -6.189 -6.473 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.588 -6.406 -6.498 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.323 -8.002 -7.429 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.556 -6.888 -8.762 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -9.034 -8.530 -9.541 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -8.078 -7.091 -9.250 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -7.605 -8.056 -6.906 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -8.295 -9.556 -7.493 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.652 -9.339 -9.474 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -5.853 -8.100 -8.527 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -4.842 -10.255 -8.181 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -5.545 -9.704 -6.736 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.319 -10.905 -7.653 1.00 1.56 H new ATOM 120 N SER A 13 -9.870 -4.395 -8.782 1.00 0.21 N ATOM 121 CA SER A 13 -9.536 -3.398 -9.783 1.00 0.24 C ATOM 122 C SER A 13 -9.232 -2.030 -9.163 1.00 0.24 C ATOM 123 O SER A 13 -8.217 -1.412 -9.489 1.00 0.28 O ATOM 124 CB SER A 13 -10.691 -3.289 -10.776 1.00 0.30 C ATOM 125 OG SER A 13 -10.959 -4.548 -11.375 1.00 0.90 O ATOM 0 H SER A 13 -10.858 -4.646 -8.753 1.00 0.21 H new ATOM 0 HA SER A 13 -8.628 -3.718 -10.294 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.583 -2.927 -10.265 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.446 -2.559 -11.547 1.00 0.30 H new ATOM 0 HG SER A 13 -11.703 -4.458 -12.007 1.00 0.90 H new ATOM 131 N ARG A 14 -10.098 -1.575 -8.257 1.00 0.25 N ATOM 132 CA ARG A 14 -9.970 -0.243 -7.669 1.00 0.30 C ATOM 133 C ARG A 14 -8.656 -0.087 -6.938 1.00 0.24 C ATOM 134 O ARG A 14 -8.044 0.978 -6.965 1.00 0.30 O ATOM 135 CB ARG A 14 -11.130 0.068 -6.707 1.00 0.37 C ATOM 136 CG ARG A 14 -11.253 -0.899 -5.533 1.00 0.36 C ATOM 137 CD ARG A 14 -11.082 -0.206 -4.184 1.00 0.52 C ATOM 138 NE ARG A 14 -11.858 1.030 -4.087 1.00 1.14 N ATOM 139 CZ ARG A 14 -12.124 1.669 -2.944 1.00 1.41 C ATOM 140 NH1 ARG A 14 -11.665 1.203 -1.784 1.00 1.66 N ATOM 141 NH2 ARG A 14 -12.844 2.780 -2.967 1.00 2.05 N ATOM 0 H ARG A 14 -10.896 -2.110 -7.915 1.00 0.25 H new ATOM 0 HA ARG A 14 -10.003 0.466 -8.496 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -11.002 1.078 -6.318 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -12.064 0.059 -7.269 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.228 -1.385 -5.567 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.503 -1.683 -5.632 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.387 -0.886 -3.389 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -10.027 0.018 -4.025 1.00 0.52 H new ATOM 0 HE ARG A 14 -12.221 1.432 -4.951 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -11.105 0.351 -1.763 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -11.874 1.698 -0.917 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -13.192 3.144 -3.854 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -13.050 3.272 -2.098 1.00 2.05 H new ATOM 155 N ILE A 15 -8.222 -1.147 -6.295 1.00 0.17 N ATOM 156 CA ILE A 15 -7.007 -1.098 -5.540 1.00 0.15 C ATOM 157 C ILE A 15 -5.832 -1.335 -6.462 1.00 0.13 C ATOM 158 O ILE A 15 -4.818 -0.656 -6.376 1.00 0.13 O ATOM 159 CB ILE A 15 -7.011 -2.165 -4.460 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.183 -1.945 -3.509 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.708 -2.118 -3.697 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.437 -3.113 -2.595 1.00 0.34 C ATOM 0 H ILE A 15 -8.697 -2.049 -6.284 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.925 -0.117 -5.073 1.00 0.15 H new ATOM 0 HB ILE A 15 -7.119 -3.145 -4.925 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.991 -1.057 -2.907 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -9.082 -1.747 -4.092 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.712 -2.884 -2.922 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.879 -2.298 -4.381 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.591 -1.137 -3.236 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.283 -2.890 -1.946 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.660 -3.999 -3.190 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.552 -3.298 -1.986 1.00 0.34 H new ATOM 174 N GLN A 16 -6.009 -2.309 -7.344 1.00 0.15 N ATOM 175 CA GLN A 16 -4.989 -2.729 -8.300 1.00 0.20 C ATOM 176 C GLN A 16 -4.352 -1.555 -9.022 1.00 0.21 C ATOM 177 O GLN A 16 -3.130 -1.519 -9.179 1.00 0.24 O ATOM 178 CB GLN A 16 -5.608 -3.657 -9.322 1.00 0.25 C ATOM 179 CG GLN A 16 -4.809 -4.917 -9.569 1.00 0.40 C ATOM 180 CD GLN A 16 -5.349 -5.733 -10.723 1.00 1.08 C ATOM 181 OE1 GLN A 16 -6.656 -5.687 -10.916 1.00 1.85 O flip ATOM 182 NE2 GLN A 16 -4.600 -6.410 -11.426 1.00 1.71 N flip ATOM 0 H GLN A 16 -6.878 -2.839 -7.418 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.207 -3.238 -7.736 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.609 -3.932 -8.989 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.722 -3.120 -10.264 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.772 -4.651 -9.771 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.811 -5.527 -8.666 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -3.597 -6.417 -11.243 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -4.982 -6.964 -12.192 1.00 1.71 H new ATOM 191 N SER A 17 -5.179 -0.606 -9.463 1.00 0.23 N ATOM 192 CA SER A 17 -4.683 0.555 -10.188 1.00 0.28 C ATOM 193 C SER A 17 -3.591 1.257 -9.389 1.00 0.25 C ATOM 194 O SER A 17 -2.523 1.564 -9.910 1.00 0.34 O ATOM 195 CB SER A 17 -5.830 1.523 -10.478 1.00 0.33 C ATOM 196 OG SER A 17 -6.892 0.865 -11.150 1.00 1.04 O ATOM 0 H SER A 17 -6.190 -0.622 -9.330 1.00 0.23 H new ATOM 0 HA SER A 17 -4.257 0.218 -11.133 1.00 0.28 H new ATOM 0 HB2 SER A 17 -6.195 1.950 -9.544 1.00 0.33 H new ATOM 0 HB3 SER A 17 -5.467 2.351 -11.087 1.00 0.33 H new ATOM 0 HG SER A 17 -7.615 1.504 -11.323 1.00 1.04 H new ATOM 202 N GLU A 18 -3.862 1.473 -8.114 1.00 0.19 N ATOM 203 CA GLU A 18 -2.936 2.163 -7.236 1.00 0.20 C ATOM 204 C GLU A 18 -1.913 1.220 -6.641 1.00 0.16 C ATOM 205 O GLU A 18 -0.783 1.617 -6.409 1.00 0.17 O ATOM 206 CB GLU A 18 -3.703 2.810 -6.120 1.00 0.28 C ATOM 207 CG GLU A 18 -4.880 3.598 -6.613 1.00 0.37 C ATOM 208 CD GLU A 18 -6.021 3.584 -5.632 1.00 1.43 C ATOM 209 OE1 GLU A 18 -5.856 3.014 -4.530 1.00 2.36 O ATOM 210 OE2 GLU A 18 -7.092 4.138 -5.965 1.00 1.76 O ATOM 0 H GLU A 18 -4.726 1.176 -7.661 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.407 2.909 -7.830 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.048 2.042 -5.428 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.038 3.468 -5.560 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -4.574 4.628 -6.798 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.216 3.189 -7.566 1.00 0.37 H new ATOM 217 N HIS A 19 -2.333 -0.008 -6.351 1.00 0.15 N ATOM 218 CA HIS A 19 -1.450 -1.021 -5.789 1.00 0.14 C ATOM 219 C HIS A 19 -0.108 -0.965 -6.484 1.00 0.13 C ATOM 220 O HIS A 19 0.896 -0.771 -5.827 1.00 0.13 O ATOM 221 CB HIS A 19 -2.106 -2.415 -5.876 1.00 0.15 C ATOM 222 CG HIS A 19 -1.150 -3.569 -5.916 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.286 -3.885 -4.889 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.937 -4.489 -6.880 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.418 -4.949 -5.228 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.041 -5.336 -6.431 1.00 0.36 N ATOM 0 H HIS A 19 -3.291 -0.326 -6.499 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.281 -0.820 -4.731 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.768 -2.542 -5.019 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.730 -2.450 -6.769 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.445 -4.547 -7.831 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.176 -5.423 -4.622 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.416 -6.135 -6.943 1.00 0.36 H new ATOM 235 N ARG A 20 -0.117 -1.039 -7.807 1.00 0.14 N ATOM 236 CA ARG A 20 1.107 -0.934 -8.593 1.00 0.14 C ATOM 237 C ARG A 20 1.876 0.337 -8.234 1.00 0.12 C ATOM 238 O ARG A 20 3.062 0.282 -7.902 1.00 0.15 O ATOM 239 CB ARG A 20 0.770 -0.913 -10.071 1.00 0.19 C ATOM 240 CG ARG A 20 -0.169 -2.020 -10.495 1.00 0.25 C ATOM 241 CD ARG A 20 -0.301 -2.050 -11.996 1.00 0.90 C ATOM 242 NE ARG A 20 -0.834 -0.792 -12.524 1.00 2.11 N ATOM 243 CZ ARG A 20 -1.210 -0.613 -13.789 1.00 2.93 C ATOM 244 NH1 ARG A 20 -1.106 -1.602 -14.669 1.00 2.80 N ATOM 245 NH2 ARG A 20 -1.684 0.560 -14.178 1.00 4.14 N ATOM 0 H ARG A 20 -0.962 -1.172 -8.362 1.00 0.14 H new ATOM 0 HA ARG A 20 1.731 -1.799 -8.368 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.320 0.048 -10.319 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.693 -0.991 -10.646 1.00 0.19 H new ATOM 0 HG2 ARG A 20 0.204 -2.979 -10.137 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -1.148 -1.869 -10.040 1.00 0.25 H new ATOM 0 HD2 ARG A 20 0.674 -2.247 -12.442 1.00 0.90 H new ATOM 0 HD3 ARG A 20 -0.956 -2.872 -12.286 1.00 0.90 H new ATOM 0 HE ARG A 20 -0.923 -0.004 -11.883 1.00 2.11 H new ATOM 0 HH11 ARG A 20 -0.736 -2.507 -14.378 1.00 2.80 H new ATOM 0 HH12 ARG A 20 -1.396 -1.457 -15.636 1.00 2.80 H new ATOM 0 HH21 ARG A 20 -1.761 1.326 -13.509 1.00 4.14 H new ATOM 0 HH22 ARG A 20 -1.972 0.698 -15.147 1.00 4.14 H new ATOM 259 N GLU A 21 1.184 1.474 -8.301 1.00 0.14 N ATOM 260 CA GLU A 21 1.758 2.768 -7.985 1.00 0.14 C ATOM 261 C GLU A 21 2.429 2.788 -6.612 1.00 0.11 C ATOM 262 O GLU A 21 3.570 3.229 -6.481 1.00 0.13 O ATOM 263 CB GLU A 21 0.664 3.823 -8.027 1.00 0.20 C ATOM 264 CG GLU A 21 -0.212 3.766 -9.269 1.00 0.33 C ATOM 265 CD GLU A 21 0.491 3.200 -10.493 1.00 0.52 C ATOM 266 OE1 GLU A 21 1.497 3.789 -10.936 1.00 0.98 O ATOM 267 OE2 GLU A 21 0.039 2.163 -11.018 1.00 0.82 O ATOM 0 H GLU A 21 0.203 1.516 -8.579 1.00 0.14 H new ATOM 0 HA GLU A 21 2.527 2.979 -8.728 1.00 0.14 H new ATOM 0 HB2 GLU A 21 0.033 3.710 -7.146 1.00 0.20 H new ATOM 0 HB3 GLU A 21 1.124 4.809 -7.966 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -1.091 3.159 -9.054 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -0.567 4.771 -9.498 1.00 0.33 H new ATOM 274 N LEU A 22 1.715 2.314 -5.596 1.00 0.10 N ATOM 275 CA LEU A 22 2.209 2.360 -4.221 1.00 0.09 C ATOM 276 C LEU A 22 3.480 1.540 -4.043 1.00 0.09 C ATOM 277 O LEU A 22 4.375 1.936 -3.304 1.00 0.12 O ATOM 278 CB LEU A 22 1.142 1.904 -3.217 1.00 0.10 C ATOM 279 CG LEU A 22 0.096 2.964 -2.847 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.771 4.297 -2.562 1.00 0.18 C ATOM 281 CD2 LEU A 22 -0.923 3.127 -3.949 1.00 0.22 C ATOM 0 H LEU A 22 0.791 1.893 -5.697 1.00 0.10 H new ATOM 0 HA LEU A 22 2.448 3.404 -4.017 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.626 1.036 -3.628 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.641 1.576 -2.305 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.421 2.627 -1.948 1.00 0.15 H new ATOM 0 HD11 LEU A 22 0.016 5.039 -2.301 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.468 4.182 -1.732 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.313 4.627 -3.448 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.652 3.884 -3.661 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.421 3.437 -4.866 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.432 2.178 -4.117 1.00 0.22 H new ATOM 293 N VAL A 23 3.576 0.398 -4.709 1.00 0.08 N ATOM 294 CA VAL A 23 4.782 -0.402 -4.608 1.00 0.09 C ATOM 295 C VAL A 23 5.893 0.197 -5.450 1.00 0.11 C ATOM 296 O VAL A 23 7.064 0.147 -5.071 1.00 0.12 O ATOM 297 CB VAL A 23 4.569 -1.877 -4.983 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.118 -2.207 -5.274 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.447 -2.258 -6.149 1.00 0.12 C ATOM 0 H VAL A 23 2.849 0.013 -5.312 1.00 0.08 H new ATOM 0 HA VAL A 23 5.070 -0.386 -3.557 1.00 0.09 H new ATOM 0 HB VAL A 23 4.854 -2.468 -4.113 1.00 0.11 H new ATOM 0 HG11 VAL A 23 3.030 -3.262 -5.533 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.513 -1.998 -4.392 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.766 -1.598 -6.107 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.283 -3.306 -6.401 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.200 -1.635 -7.009 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.493 -2.109 -5.881 1.00 0.12 H new ATOM 309 N SER A 24 5.527 0.758 -6.591 1.00 0.12 N ATOM 310 CA SER A 24 6.472 1.512 -7.389 1.00 0.15 C ATOM 311 C SER A 24 7.013 2.673 -6.562 1.00 0.13 C ATOM 312 O SER A 24 8.133 3.143 -6.769 1.00 0.15 O ATOM 313 CB SER A 24 5.783 2.016 -8.647 1.00 0.19 C ATOM 314 OG SER A 24 5.361 0.936 -9.465 1.00 0.74 O ATOM 0 H SER A 24 4.586 0.704 -6.982 1.00 0.12 H new ATOM 0 HA SER A 24 7.306 0.876 -7.684 1.00 0.15 H new ATOM 0 HB2 SER A 24 4.923 2.628 -8.374 1.00 0.19 H new ATOM 0 HB3 SER A 24 6.465 2.656 -9.207 1.00 0.19 H new ATOM 0 HG SER A 24 4.545 0.543 -9.092 1.00 0.74 H new ATOM 320 N ALA A 25 6.211 3.101 -5.596 1.00 0.10 N ATOM 321 CA ALA A 25 6.623 4.128 -4.651 1.00 0.09 C ATOM 322 C ALA A 25 7.465 3.514 -3.547 1.00 0.08 C ATOM 323 O ALA A 25 8.369 4.159 -3.035 1.00 0.08 O ATOM 324 CB ALA A 25 5.422 4.825 -4.045 1.00 0.12 C ATOM 0 H ALA A 25 5.265 2.749 -5.447 1.00 0.10 H new ATOM 0 HA ALA A 25 7.214 4.866 -5.193 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.760 5.587 -3.343 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.836 5.294 -4.836 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.805 4.096 -3.520 1.00 0.12 H new ATOM 330 N ILE A 26 7.165 2.269 -3.173 1.00 0.08 N ATOM 331 CA ILE A 26 7.966 1.565 -2.190 1.00 0.08 C ATOM 332 C ILE A 26 9.389 1.416 -2.693 1.00 0.09 C ATOM 333 O ILE A 26 10.342 1.740 -1.992 1.00 0.12 O ATOM 334 CB ILE A 26 7.368 0.174 -1.829 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.495 0.313 -0.599 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.448 -0.871 -1.579 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.071 -1.010 -0.027 1.00 0.20 C ATOM 0 H ILE A 26 6.376 1.736 -3.538 1.00 0.08 H new ATOM 0 HA ILE A 26 7.964 2.160 -1.277 1.00 0.08 H new ATOM 0 HB ILE A 26 6.778 -0.168 -2.679 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.036 0.875 0.162 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.608 0.893 -0.853 1.00 0.18 H new ATOM 0 HG21 ILE A 26 7.981 -1.824 -1.331 1.00 0.15 H new ATOM 0 HG22 ILE A 26 9.056 -0.987 -2.476 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.080 -0.550 -0.751 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.448 -0.844 0.852 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.503 -1.564 -0.774 1.00 0.20 H new ATOM 0 HD13 ILE A 26 6.954 -1.583 0.257 1.00 0.20 H new ATOM 349 N GLN A 27 9.512 0.961 -3.927 1.00 0.09 N ATOM 350 CA GLN A 27 10.805 0.802 -4.570 1.00 0.11 C ATOM 351 C GLN A 27 11.541 2.143 -4.619 1.00 0.13 C ATOM 352 O GLN A 27 12.769 2.202 -4.559 1.00 0.17 O ATOM 353 CB GLN A 27 10.603 0.244 -5.977 1.00 0.11 C ATOM 354 CG GLN A 27 9.895 -1.096 -5.997 1.00 0.13 C ATOM 355 CD GLN A 27 9.780 -1.680 -7.393 1.00 0.19 C ATOM 356 OE1 GLN A 27 10.620 -1.425 -8.261 1.00 0.99 O ATOM 357 NE2 GLN A 27 8.745 -2.473 -7.617 1.00 1.25 N ATOM 0 H GLN A 27 8.720 0.692 -4.511 1.00 0.09 H new ATOM 0 HA GLN A 27 11.414 0.104 -3.995 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.028 0.959 -6.564 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.574 0.141 -6.462 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.434 -1.796 -5.359 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.897 -0.981 -5.573 1.00 0.13 H new ATOM 0 HE21 GLN A 27 8.073 -2.658 -6.872 1.00 1.25 H new ATOM 0 HE22 GLN A 27 8.619 -2.900 -8.535 1.00 1.25 H new ATOM 366 N SER A 28 10.764 3.212 -4.703 1.00 0.13 N ATOM 367 CA SER A 28 11.286 4.567 -4.726 1.00 0.16 C ATOM 368 C SER A 28 11.685 5.033 -3.315 1.00 0.18 C ATOM 369 O SER A 28 12.809 5.484 -3.098 1.00 0.22 O ATOM 370 CB SER A 28 10.218 5.478 -5.329 1.00 0.16 C ATOM 371 OG SER A 28 9.940 5.112 -6.674 1.00 0.68 O ATOM 0 H SER A 28 9.747 3.162 -4.757 1.00 0.13 H new ATOM 0 HA SER A 28 12.190 4.605 -5.335 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.306 5.418 -4.736 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.555 6.514 -5.292 1.00 0.16 H new ATOM 0 HG SER A 28 9.169 4.507 -6.696 1.00 0.68 H new ATOM 377 N TYR A 29 10.750 4.917 -2.368 1.00 0.16 N ATOM 378 CA TYR A 29 10.985 5.229 -0.956 1.00 0.19 C ATOM 379 C TYR A 29 12.210 4.486 -0.450 1.00 0.24 C ATOM 380 O TYR A 29 13.143 5.085 0.075 1.00 0.28 O ATOM 381 CB TYR A 29 9.744 4.807 -0.151 1.00 0.15 C ATOM 382 CG TYR A 29 9.754 5.092 1.350 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.608 5.032 2.145 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.944 5.463 1.963 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.661 5.333 3.492 1.00 0.22 C ATOM 386 CE2 TYR A 29 11.000 5.761 3.311 1.00 0.27 C ATOM 387 CZ TYR A 29 9.689 5.525 4.103 1.00 0.22 C ATOM 388 OH TYR A 29 9.909 6.004 5.410 1.00 0.32 O ATOM 0 H TYR A 29 9.800 4.601 -2.562 1.00 0.16 H new ATOM 0 HA TYR A 29 11.161 6.298 -0.838 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.876 5.305 -0.583 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.599 3.736 -0.290 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.666 4.746 1.700 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.846 5.520 1.372 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.729 5.401 4.033 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.898 6.134 3.782 1.00 0.27 H new ATOM 0 HH TYR A 29 10.872 6.036 5.589 1.00 0.32 H new ATOM 398 N ILE A 30 12.192 3.182 -0.626 1.00 0.25 N ATOM 399 CA ILE A 30 13.246 2.323 -0.135 1.00 0.32 C ATOM 400 C ILE A 30 14.593 2.672 -0.754 1.00 0.38 C ATOM 401 O ILE A 30 15.616 2.659 -0.071 1.00 0.44 O ATOM 402 CB ILE A 30 12.872 0.860 -0.398 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.645 0.521 0.455 1.00 0.28 C ATOM 404 CG2 ILE A 30 14.042 -0.068 -0.119 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.175 -0.905 0.345 1.00 0.29 C ATOM 0 H ILE A 30 11.445 2.688 -1.114 1.00 0.25 H new ATOM 0 HA ILE A 30 13.350 2.476 0.939 1.00 0.32 H new ATOM 0 HB ILE A 30 12.626 0.719 -1.450 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.876 0.733 1.499 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.827 1.182 0.168 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.744 -1.098 -0.315 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.879 0.197 -0.765 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.344 0.030 0.924 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.303 -1.051 0.983 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.908 -1.121 -0.689 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.973 -1.577 0.662 1.00 0.29 H new ATOM 417 N GLY A 31 14.585 3.033 -2.030 1.00 0.38 N ATOM 418 CA GLY A 31 15.815 3.433 -2.687 1.00 0.47 C ATOM 419 C GLY A 31 16.295 4.787 -2.200 1.00 0.50 C ATOM 420 O GLY A 31 17.457 5.154 -2.381 1.00 0.57 O ATOM 0 H GLY A 31 13.753 3.056 -2.620 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.586 2.685 -2.502 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.657 3.469 -3.765 1.00 0.47 H new ATOM 424 N ALA A 32 15.391 5.523 -1.574 1.00 0.48 N ATOM 425 CA ALA A 32 15.695 6.838 -1.034 1.00 0.51 C ATOM 426 C ALA A 32 16.178 6.741 0.397 1.00 0.54 C ATOM 427 O ALA A 32 16.838 7.648 0.902 1.00 0.60 O ATOM 428 CB ALA A 32 14.462 7.710 -1.078 1.00 0.46 C ATOM 0 H ALA A 32 14.427 5.226 -1.426 1.00 0.48 H new ATOM 0 HA ALA A 32 16.485 7.276 -1.644 1.00 0.51 H new ATOM 0 HB1 ALA A 32 14.697 8.694 -0.672 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.127 7.814 -2.110 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.671 7.252 -0.484 1.00 0.46 H new ATOM 434 N GLN A 33 15.828 5.644 1.051 1.00 0.50 N ATOM 435 CA GLN A 33 16.131 5.468 2.453 1.00 0.53 C ATOM 436 C GLN A 33 17.623 5.489 2.731 1.00 0.65 C ATOM 437 O GLN A 33 18.447 5.279 1.838 1.00 0.70 O ATOM 438 CB GLN A 33 15.545 4.172 2.968 1.00 0.50 C ATOM 439 CG GLN A 33 14.051 4.246 3.169 1.00 0.42 C ATOM 440 CD GLN A 33 13.656 4.394 4.630 1.00 0.44 C ATOM 441 OE1 GLN A 33 12.626 3.885 5.062 1.00 1.04 O ATOM 442 NE2 GLN A 33 14.454 5.116 5.398 1.00 1.19 N ATOM 0 H GLN A 33 15.331 4.861 0.626 1.00 0.50 H new ATOM 0 HA GLN A 33 15.680 6.312 2.975 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.773 3.371 2.265 1.00 0.50 H new ATOM 0 HB3 GLN A 33 16.022 3.913 3.913 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.655 5.090 2.604 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.590 3.346 2.763 1.00 0.42 H new ATOM 0 HE21 GLN A 33 15.303 5.526 5.009 1.00 1.19 H new ATOM 0 HE22 GLN A 33 14.221 5.263 6.380 1.00 1.19 H new ATOM 451 N ASP A 34 17.948 5.741 3.987 1.00 0.72 N ATOM 452 CA ASP A 34 19.321 5.692 4.465 1.00 0.85 C ATOM 453 C ASP A 34 19.892 4.304 4.252 1.00 0.88 C ATOM 454 O ASP A 34 21.082 4.128 4.003 1.00 0.99 O ATOM 455 CB ASP A 34 19.354 6.062 5.940 1.00 0.90 C ATOM 456 CG ASP A 34 20.743 6.431 6.424 1.00 1.06 C ATOM 457 OD1 ASP A 34 21.249 5.769 7.351 1.00 1.14 O ATOM 458 OD2 ASP A 34 21.350 7.367 5.864 1.00 1.22 O ATOM 0 H ASP A 34 17.267 5.986 4.706 1.00 0.72 H new ATOM 0 HA ASP A 34 19.929 6.404 3.907 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.679 6.900 6.115 1.00 0.90 H new ATOM 0 HB3 ASP A 34 18.980 5.224 6.528 1.00 0.90 H new ATOM 463 N ASP A 35 19.009 3.330 4.339 1.00 0.82 N ATOM 464 CA ASP A 35 19.333 1.952 4.003 1.00 0.89 C ATOM 465 C ASP A 35 18.154 1.317 3.299 1.00 0.80 C ATOM 466 O ASP A 35 17.099 1.115 3.897 1.00 0.77 O ATOM 467 CB ASP A 35 19.696 1.092 5.221 1.00 0.99 C ATOM 468 CG ASP A 35 20.997 1.496 5.880 1.00 1.60 C ATOM 469 OD1 ASP A 35 20.947 2.098 6.973 1.00 2.19 O ATOM 470 OD2 ASP A 35 22.073 1.239 5.301 1.00 1.95 O ATOM 0 H ASP A 35 18.046 3.468 4.644 1.00 0.82 H new ATOM 0 HA ASP A 35 20.213 1.990 3.360 1.00 0.89 H new ATOM 0 HB2 ASP A 35 18.892 1.156 5.954 1.00 0.99 H new ATOM 0 HB3 ASP A 35 19.763 0.049 4.912 1.00 0.99 H new ATOM 475 N PRO A 36 18.314 1.001 2.016 1.00 0.79 N ATOM 476 CA PRO A 36 17.294 0.309 1.224 1.00 0.72 C ATOM 477 C PRO A 36 17.257 -1.156 1.567 1.00 0.77 C ATOM 478 O PRO A 36 16.469 -1.930 1.037 1.00 0.77 O ATOM 479 CB PRO A 36 17.811 0.487 -0.192 1.00 0.73 C ATOM 480 CG PRO A 36 19.283 0.452 -0.009 1.00 0.84 C ATOM 481 CD PRO A 36 19.510 1.294 1.207 1.00 0.85 C ATOM 0 HA PRO A 36 16.286 0.691 1.388 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.466 -0.309 -0.852 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.480 1.429 -0.629 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.644 -0.566 0.136 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.804 0.855 -0.878 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.429 1.021 1.725 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.585 2.353 0.961 1.00 0.85 H new ATOM 489 N THR A 37 18.151 -1.509 2.445 1.00 0.84 N ATOM 490 CA THR A 37 18.361 -2.876 2.832 1.00 0.90 C ATOM 491 C THR A 37 17.360 -3.302 3.890 1.00 0.89 C ATOM 492 O THR A 37 16.969 -4.468 3.971 1.00 0.91 O ATOM 493 CB THR A 37 19.795 -3.028 3.361 1.00 1.03 C ATOM 494 OG1 THR A 37 19.891 -2.467 4.676 1.00 1.07 O ATOM 495 CG2 THR A 37 20.766 -2.290 2.449 1.00 1.06 C ATOM 0 H THR A 37 18.764 -0.846 2.920 1.00 0.84 H new ATOM 0 HA THR A 37 18.217 -3.519 1.964 1.00 0.90 H new ATOM 0 HB THR A 37 20.044 -4.089 3.389 1.00 1.03 H new ATOM 0 HG1 THR A 37 20.807 -2.568 5.009 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.781 -2.402 2.831 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.708 -2.706 1.443 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.505 -1.232 2.419 1.00 1.06 H new ATOM 503 N ASN A 38 16.948 -2.340 4.689 1.00 0.87 N ATOM 504 CA ASN A 38 15.968 -2.569 5.732 1.00 0.88 C ATOM 505 C ASN A 38 15.320 -1.250 6.153 1.00 0.80 C ATOM 506 O ASN A 38 15.471 -0.800 7.290 1.00 0.86 O ATOM 507 CB ASN A 38 16.656 -3.236 6.912 1.00 1.05 C ATOM 508 CG ASN A 38 15.683 -3.755 7.953 1.00 1.02 C ATOM 509 OD1 ASN A 38 14.551 -4.122 7.637 1.00 1.43 O ATOM 510 ND2 ASN A 38 16.125 -3.802 9.201 1.00 1.64 N ATOM 0 H ASN A 38 17.282 -1.378 4.634 1.00 0.87 H new ATOM 0 HA ASN A 38 15.178 -3.221 5.360 1.00 0.88 H new ATOM 0 HB2 ASN A 38 17.266 -4.063 6.549 1.00 1.05 H new ATOM 0 HB3 ASN A 38 17.334 -2.522 7.381 1.00 1.05 H new ATOM 0 HD21 ASN A 38 15.520 -4.152 9.944 1.00 1.64 H new ATOM 0 HD22 ASN A 38 17.071 -3.488 9.419 1.00 1.64 H new ATOM 517 N PRO A 39 14.615 -0.599 5.214 1.00 0.68 N ATOM 518 CA PRO A 39 13.940 0.687 5.451 1.00 0.61 C ATOM 519 C PRO A 39 12.895 0.652 6.569 1.00 0.63 C ATOM 520 O PRO A 39 12.558 -0.411 7.102 1.00 0.73 O ATOM 521 CB PRO A 39 13.266 0.995 4.112 1.00 0.53 C ATOM 522 CG PRO A 39 13.235 -0.298 3.386 1.00 0.54 C ATOM 523 CD PRO A 39 14.442 -1.047 3.825 1.00 0.64 C ATOM 0 HA PRO A 39 14.658 1.438 5.781 1.00 0.61 H new ATOM 0 HB2 PRO A 39 12.260 1.388 4.259 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.824 1.747 3.554 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.326 -0.853 3.618 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.245 -0.140 2.308 1.00 0.54 H new ATOM 0 HD2 PRO A 39 14.294 -2.125 3.763 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.311 -0.809 3.212 1.00 0.64 H new ATOM 531 N SER A 40 12.383 1.833 6.904 1.00 0.58 N ATOM 532 CA SER A 40 11.390 1.992 7.959 1.00 0.61 C ATOM 533 C SER A 40 10.029 1.481 7.521 1.00 0.53 C ATOM 534 O SER A 40 9.882 0.873 6.457 1.00 0.49 O ATOM 535 CB SER A 40 11.271 3.470 8.350 1.00 0.64 C ATOM 536 OG SER A 40 12.506 3.974 8.830 1.00 0.77 O ATOM 0 H SER A 40 12.646 2.708 6.450 1.00 0.58 H new ATOM 0 HA SER A 40 11.721 1.406 8.816 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.948 4.052 7.487 1.00 0.64 H new ATOM 0 HB3 SER A 40 10.505 3.586 9.117 1.00 0.64 H new ATOM 0 HG SER A 40 12.403 4.918 9.071 1.00 0.77 H new ATOM 542 N GLU A 41 9.039 1.718 8.361 1.00 0.58 N ATOM 543 CA GLU A 41 7.672 1.405 8.034 1.00 0.55 C ATOM 544 C GLU A 41 7.197 2.316 6.923 1.00 0.51 C ATOM 545 O GLU A 41 7.470 3.517 6.925 1.00 0.72 O ATOM 546 CB GLU A 41 6.805 1.538 9.287 1.00 0.66 C ATOM 547 CG GLU A 41 5.342 1.784 9.013 1.00 0.66 C ATOM 548 CD GLU A 41 4.524 1.888 10.284 1.00 0.82 C ATOM 549 OE1 GLU A 41 4.115 0.840 10.825 1.00 0.85 O ATOM 550 OE2 GLU A 41 4.272 3.021 10.744 1.00 0.99 O ATOM 0 H GLU A 41 9.165 2.132 9.285 1.00 0.58 H new ATOM 0 HA GLU A 41 7.594 0.377 7.680 1.00 0.55 H new ATOM 0 HB2 GLU A 41 6.903 0.628 9.879 1.00 0.66 H new ATOM 0 HB3 GLU A 41 7.190 2.357 9.895 1.00 0.66 H new ATOM 0 HG2 GLU A 41 5.233 2.704 8.438 1.00 0.66 H new ATOM 0 HG3 GLU A 41 4.950 0.975 8.397 1.00 0.66 H new ATOM 557 N ILE A 42 6.523 1.731 5.959 1.00 0.29 N ATOM 558 CA ILE A 42 6.105 2.448 4.797 1.00 0.21 C ATOM 559 C ILE A 42 4.599 2.638 4.778 1.00 0.22 C ATOM 560 O ILE A 42 3.837 1.682 4.927 1.00 0.27 O ATOM 561 CB ILE A 42 6.560 1.702 3.544 1.00 0.16 C ATOM 562 CG1 ILE A 42 8.076 1.822 3.408 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.841 2.227 2.322 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.579 1.568 2.016 1.00 0.15 C ATOM 0 H ILE A 42 6.254 0.747 5.967 1.00 0.29 H new ATOM 0 HA ILE A 42 6.564 3.437 4.819 1.00 0.21 H new ATOM 0 HB ILE A 42 6.306 0.646 3.633 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.382 2.821 3.719 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.550 1.117 4.091 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.179 1.683 1.440 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.767 2.089 2.445 1.00 0.13 H new ATOM 0 HG23 ILE A 42 6.059 3.288 2.200 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.664 1.671 1.997 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.305 0.559 1.708 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.134 2.290 1.331 1.00 0.15 H new ATOM 576 N THR A 43 4.175 3.878 4.612 1.00 0.19 N ATOM 577 CA THR A 43 2.766 4.182 4.486 1.00 0.19 C ATOM 578 C THR A 43 2.527 5.068 3.298 1.00 0.16 C ATOM 579 O THR A 43 3.467 5.606 2.726 1.00 0.15 O ATOM 580 CB THR A 43 2.191 4.858 5.743 1.00 0.21 C ATOM 581 OG1 THR A 43 2.910 6.064 6.026 1.00 0.21 O ATOM 582 CG2 THR A 43 2.263 3.921 6.934 1.00 0.22 C ATOM 0 H THR A 43 4.790 4.690 4.562 1.00 0.19 H new ATOM 0 HA THR A 43 2.253 3.229 4.355 1.00 0.19 H new ATOM 0 HB THR A 43 1.145 5.101 5.555 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.536 6.488 6.826 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.852 4.417 7.813 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.687 3.020 6.723 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.302 3.651 7.123 1.00 0.22 H new ATOM 590 N LEU A 44 1.276 5.225 2.938 1.00 0.16 N ATOM 591 CA LEU A 44 0.919 6.037 1.795 1.00 0.15 C ATOM 592 C LEU A 44 1.298 7.478 2.035 1.00 0.15 C ATOM 593 O LEU A 44 1.758 8.186 1.141 1.00 0.16 O ATOM 594 CB LEU A 44 -0.561 5.947 1.553 1.00 0.16 C ATOM 595 CG LEU A 44 -1.106 4.546 1.425 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.503 4.606 0.865 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.191 3.692 0.566 1.00 0.18 C ATOM 0 H LEU A 44 0.484 4.800 3.421 1.00 0.16 H new ATOM 0 HA LEU A 44 1.458 5.668 0.923 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.078 6.448 2.372 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -0.798 6.497 0.642 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.148 4.078 2.408 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -2.901 3.596 0.771 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.139 5.185 1.534 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.482 5.081 -0.116 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.602 2.686 0.486 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.111 4.131 -0.428 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.798 3.645 1.023 1.00 0.18 H new ATOM 609 N ALA A 45 1.110 7.888 3.272 1.00 0.15 N ATOM 610 CA ALA A 45 1.417 9.236 3.692 1.00 0.15 C ATOM 611 C ALA A 45 2.926 9.494 3.602 1.00 0.15 C ATOM 612 O ALA A 45 3.369 10.631 3.470 1.00 0.18 O ATOM 613 CB ALA A 45 0.886 9.448 5.100 1.00 0.18 C ATOM 0 H ALA A 45 0.740 7.294 4.014 1.00 0.15 H new ATOM 0 HA ALA A 45 0.933 9.953 3.030 1.00 0.15 H new ATOM 0 HB1 ALA A 45 1.113 10.463 5.426 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.194 9.297 5.108 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.357 8.736 5.778 1.00 0.18 H new ATOM 619 N LYS A 46 3.699 8.412 3.662 1.00 0.15 N ATOM 620 CA LYS A 46 5.142 8.458 3.479 1.00 0.15 C ATOM 621 C LYS A 46 5.519 8.299 2.016 1.00 0.13 C ATOM 622 O LYS A 46 6.510 8.854 1.552 1.00 0.13 O ATOM 623 CB LYS A 46 5.776 7.331 4.256 1.00 0.16 C ATOM 624 CG LYS A 46 5.651 7.469 5.750 1.00 0.20 C ATOM 625 CD LYS A 46 6.185 6.237 6.437 1.00 0.22 C ATOM 626 CE LYS A 46 5.817 6.224 7.895 1.00 0.30 C ATOM 627 NZ LYS A 46 6.452 7.339 8.650 1.00 0.36 N ATOM 0 H LYS A 46 3.337 7.475 3.840 1.00 0.15 H new ATOM 0 HA LYS A 46 5.496 9.426 3.832 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.319 6.390 3.949 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.832 7.273 3.994 1.00 0.16 H new ATOM 0 HG2 LYS A 46 6.199 8.348 6.088 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.606 7.621 6.022 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.788 5.346 5.951 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.269 6.201 6.333 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.734 6.292 7.994 1.00 0.30 H new ATOM 0 HE3 LYS A 46 6.118 5.273 8.335 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 6.210 7.258 9.658 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.485 7.291 8.537 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 6.106 8.248 8.283 1.00 0.36 H new ATOM 641 N LEU A 47 4.733 7.502 1.309 1.00 0.13 N ATOM 642 CA LEU A 47 4.970 7.211 -0.092 1.00 0.11 C ATOM 643 C LEU A 47 4.627 8.403 -0.976 1.00 0.12 C ATOM 644 O LEU A 47 4.995 8.433 -2.146 1.00 0.14 O ATOM 645 CB LEU A 47 4.146 5.991 -0.503 1.00 0.09 C ATOM 646 CG LEU A 47 4.666 4.655 0.018 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.746 3.523 -0.404 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.081 4.406 -0.476 1.00 0.11 C ATOM 0 H LEU A 47 3.910 7.038 1.694 1.00 0.13 H new ATOM 0 HA LEU A 47 6.031 6.999 -0.225 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.123 6.127 -0.152 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.106 5.948 -1.591 1.00 0.09 H new ATOM 0 HG LEU A 47 4.684 4.694 1.107 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.133 2.578 -0.023 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.748 3.695 -0.000 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.695 3.482 -1.492 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.436 3.449 -0.095 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.088 4.388 -1.566 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.735 5.203 -0.122 1.00 0.11 H new ATOM 660 N ALA A 48 3.943 9.386 -0.393 1.00 0.12 N ATOM 661 CA ALA A 48 3.493 10.579 -1.112 1.00 0.14 C ATOM 662 C ALA A 48 4.577 11.190 -2.016 1.00 0.15 C ATOM 663 O ALA A 48 4.338 11.388 -3.211 1.00 0.19 O ATOM 664 CB ALA A 48 2.971 11.622 -0.132 1.00 0.16 C ATOM 0 H ALA A 48 3.684 9.379 0.594 1.00 0.12 H new ATOM 0 HA ALA A 48 2.686 10.257 -1.771 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.640 12.504 -0.681 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.133 11.208 0.428 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.766 11.902 0.559 1.00 0.16 H new ATOM 670 N PRO A 49 5.783 11.492 -1.483 1.00 0.15 N ATOM 671 CA PRO A 49 6.867 12.106 -2.264 1.00 0.19 C ATOM 672 C PRO A 49 7.396 11.204 -3.380 1.00 0.21 C ATOM 673 O PRO A 49 8.126 11.654 -4.264 1.00 0.28 O ATOM 674 CB PRO A 49 7.965 12.325 -1.220 1.00 0.21 C ATOM 675 CG PRO A 49 7.253 12.338 0.077 1.00 0.37 C ATOM 676 CD PRO A 49 6.205 11.296 -0.086 1.00 0.14 C ATOM 0 HA PRO A 49 6.526 13.010 -2.769 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.709 11.529 -1.255 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.493 13.263 -1.391 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.924 12.106 0.904 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.817 13.315 0.285 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.598 10.294 0.083 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.380 11.437 0.612 1.00 0.14 H new ATOM 684 N TYR A 50 7.044 9.932 -3.320 1.00 0.21 N ATOM 685 CA TYR A 50 7.535 8.948 -4.273 1.00 0.25 C ATOM 686 C TYR A 50 6.450 8.555 -5.262 1.00 0.27 C ATOM 687 O TYR A 50 6.683 7.767 -6.179 1.00 0.33 O ATOM 688 CB TYR A 50 8.039 7.725 -3.519 1.00 0.26 C ATOM 689 CG TYR A 50 9.005 8.089 -2.423 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.308 8.466 -2.712 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.600 8.085 -1.098 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.181 8.832 -1.709 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.468 8.444 -0.085 1.00 0.30 C ATOM 694 CZ TYR A 50 10.758 8.818 -0.397 1.00 0.36 C ATOM 695 OH TYR A 50 11.624 9.197 0.601 1.00 0.42 O ATOM 0 H TYR A 50 6.413 9.552 -2.614 1.00 0.21 H new ATOM 0 HA TYR A 50 8.355 9.387 -4.841 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.191 7.190 -3.091 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.525 7.045 -4.218 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.644 8.473 -3.738 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.589 7.796 -0.853 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.191 9.128 -1.950 1.00 0.39 H new ATOM 0 HE2 TYR A 50 9.139 8.432 0.943 1.00 0.30 H new ATOM 0 HH TYR A 50 11.172 9.132 1.468 1.00 0.42 H new ATOM 705 N MET A 51 5.265 9.107 -5.069 1.00 0.28 N ATOM 706 CA MET A 51 4.161 8.866 -5.981 1.00 0.35 C ATOM 707 C MET A 51 4.230 9.849 -7.137 1.00 0.54 C ATOM 708 O MET A 51 5.058 10.763 -7.140 1.00 0.51 O ATOM 709 CB MET A 51 2.822 9.008 -5.263 1.00 0.29 C ATOM 710 CG MET A 51 2.680 8.120 -4.039 1.00 0.15 C ATOM 711 SD MET A 51 2.842 6.370 -4.401 1.00 0.26 S ATOM 712 CE MET A 51 1.536 6.099 -5.577 1.00 0.25 C ATOM 0 H MET A 51 5.043 9.725 -4.289 1.00 0.28 H new ATOM 0 HA MET A 51 4.242 7.847 -6.360 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.691 10.047 -4.962 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.020 8.775 -5.963 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.435 8.403 -3.306 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.707 8.300 -3.581 1.00 0.15 H new ATOM 0 HE1 MET A 51 1.208 5.061 -5.524 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.697 6.756 -5.347 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.901 6.314 -6.582 1.00 0.25 H new ATOM 722 N SER A 52 3.367 9.658 -8.114 1.00 0.90 N ATOM 723 CA SER A 52 3.319 10.539 -9.267 1.00 1.14 C ATOM 724 C SER A 52 1.894 10.638 -9.797 1.00 0.98 C ATOM 725 O SER A 52 1.431 11.718 -10.166 1.00 1.19 O ATOM 726 CB SER A 52 4.264 10.033 -10.362 1.00 1.43 C ATOM 727 OG SER A 52 4.364 10.962 -11.431 1.00 2.32 O ATOM 0 H SER A 52 2.687 8.898 -8.134 1.00 0.90 H new ATOM 0 HA SER A 52 3.645 11.533 -8.961 1.00 1.14 H new ATOM 0 HB2 SER A 52 5.253 9.856 -9.938 1.00 1.43 H new ATOM 0 HB3 SER A 52 3.904 9.077 -10.742 1.00 1.43 H new ATOM 0 HG SER A 52 4.975 10.612 -12.113 1.00 2.32 H new ATOM 733 N LYS A 53 1.194 9.510 -9.813 1.00 0.79 N ATOM 734 CA LYS A 53 -0.158 9.461 -10.304 1.00 0.81 C ATOM 735 C LYS A 53 -1.101 10.119 -9.305 1.00 0.98 C ATOM 736 O LYS A 53 -1.154 9.725 -8.144 1.00 1.91 O ATOM 737 CB LYS A 53 -0.531 7.994 -10.597 1.00 0.99 C ATOM 738 CG LYS A 53 -1.806 7.484 -9.938 1.00 0.82 C ATOM 739 CD LYS A 53 -1.606 7.070 -8.479 1.00 0.69 C ATOM 740 CE LYS A 53 -2.928 6.690 -7.828 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.842 5.990 -8.770 1.00 1.65 N ATOM 0 H LYS A 53 1.554 8.614 -9.486 1.00 0.79 H new ATOM 0 HA LYS A 53 -0.248 10.021 -11.235 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -0.630 7.874 -11.676 1.00 0.99 H new ATOM 0 HB3 LYS A 53 0.297 7.359 -10.280 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -2.569 8.261 -9.987 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -2.183 6.631 -10.503 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.917 6.227 -8.429 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -1.147 7.889 -7.925 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -2.736 6.048 -6.968 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -3.417 7.589 -7.452 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.722 5.737 -8.276 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -4.062 6.617 -9.570 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -3.382 5.127 -9.123 1.00 1.65 H new ATOM 755 N ASN A 54 -1.777 11.179 -9.742 1.00 0.79 N ATOM 756 CA ASN A 54 -2.821 11.829 -8.943 1.00 0.77 C ATOM 757 C ASN A 54 -2.299 12.268 -7.575 1.00 0.93 C ATOM 758 O ASN A 54 -3.071 12.635 -6.694 1.00 1.79 O ATOM 759 CB ASN A 54 -3.957 10.831 -8.758 1.00 0.75 C ATOM 760 CG ASN A 54 -5.339 11.466 -8.639 1.00 1.15 C ATOM 761 OD1 ASN A 54 -6.336 10.880 -9.063 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.423 12.647 -8.047 1.00 1.22 N ATOM 0 H ASN A 54 -1.621 11.611 -10.653 1.00 0.79 H new ATOM 0 HA ASN A 54 -3.161 12.724 -9.464 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.959 10.140 -9.601 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.763 10.240 -7.863 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -6.331 13.096 -7.932 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -4.579 13.108 -7.706 1.00 1.22 H new ATOM 769 N ALA A 55 -0.993 12.243 -7.416 1.00 0.45 N ATOM 770 CA ALA A 55 -0.386 12.334 -6.100 1.00 0.38 C ATOM 771 C ALA A 55 0.777 13.315 -6.059 1.00 0.49 C ATOM 772 O ALA A 55 1.392 13.612 -7.084 1.00 0.72 O ATOM 773 CB ALA A 55 0.068 10.946 -5.673 1.00 0.31 C ATOM 0 H ALA A 55 -0.326 12.160 -8.184 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.134 12.717 -5.406 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.526 11.001 -4.685 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.792 10.277 -5.638 1.00 0.31 H new ATOM 0 HB3 ALA A 55 0.795 10.565 -6.390 1.00 0.31 H new ATOM 779 N LYS A 56 1.086 13.791 -4.855 1.00 0.48 N ATOM 780 CA LYS A 56 2.151 14.764 -4.649 1.00 0.59 C ATOM 781 C LYS A 56 2.505 14.836 -3.167 1.00 0.45 C ATOM 782 O LYS A 56 3.595 14.440 -2.759 1.00 0.50 O ATOM 783 CB LYS A 56 1.732 16.144 -5.167 1.00 0.79 C ATOM 784 CG LYS A 56 2.819 17.212 -5.088 1.00 1.43 C ATOM 785 CD LYS A 56 3.940 16.976 -6.094 1.00 1.46 C ATOM 786 CE LYS A 56 5.104 16.207 -5.486 1.00 1.71 C ATOM 787 NZ LYS A 56 6.158 15.912 -6.493 1.00 2.30 N ATOM 0 H LYS A 56 0.606 13.513 -3.999 1.00 0.48 H new ATOM 0 HA LYS A 56 3.030 14.445 -5.209 1.00 0.59 H new ATOM 0 HB2 LYS A 56 1.413 16.046 -6.205 1.00 0.79 H new ATOM 0 HB3 LYS A 56 0.866 16.483 -4.598 1.00 0.79 H new ATOM 0 HG2 LYS A 56 2.375 18.192 -5.266 1.00 1.43 H new ATOM 0 HG3 LYS A 56 3.236 17.229 -4.081 1.00 1.43 H new ATOM 0 HD2 LYS A 56 3.549 16.424 -6.949 1.00 1.46 H new ATOM 0 HD3 LYS A 56 4.297 17.935 -6.470 1.00 1.46 H new ATOM 0 HE2 LYS A 56 5.534 16.786 -4.669 1.00 1.71 H new ATOM 0 HE3 LYS A 56 4.739 15.273 -5.058 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 6.934 15.387 -6.040 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 5.754 15.339 -7.261 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 6.525 16.804 -6.883 1.00 2.30 H new ATOM 801 N ASN A 57 1.576 15.338 -2.364 1.00 0.36 N ATOM 802 CA ASN A 57 1.744 15.368 -0.926 1.00 0.26 C ATOM 803 C ASN A 57 0.844 14.343 -0.287 1.00 0.22 C ATOM 804 O ASN A 57 0.080 13.675 -0.977 1.00 0.24 O ATOM 805 CB ASN A 57 1.418 16.742 -0.341 1.00 0.31 C ATOM 806 CG ASN A 57 2.451 17.795 -0.679 1.00 0.35 C ATOM 807 OD1 ASN A 57 2.349 18.481 -1.694 1.00 1.02 O ATOM 808 ND2 ASN A 57 3.451 17.937 0.175 1.00 1.32 N ATOM 0 H ASN A 57 0.694 15.731 -2.692 1.00 0.36 H new ATOM 0 HA ASN A 57 2.790 15.145 -0.716 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.445 17.065 -0.711 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.336 16.658 0.743 1.00 0.31 H new ATOM 0 HD21 ASN A 57 4.174 18.636 0.002 1.00 1.32 H new ATOM 0 HD22 ASN A 57 3.499 17.348 1.006 1.00 1.32 H new ATOM 815 N GLU A 58 0.917 14.245 1.024 1.00 0.23 N ATOM 816 CA GLU A 58 0.127 13.281 1.774 1.00 0.23 C ATOM 817 C GLU A 58 -1.369 13.504 1.545 1.00 0.30 C ATOM 818 O GLU A 58 -2.133 12.552 1.358 1.00 0.36 O ATOM 819 CB GLU A 58 0.497 13.365 3.252 1.00 0.27 C ATOM 820 CG GLU A 58 -0.634 13.804 4.144 1.00 0.36 C ATOM 821 CD GLU A 58 -0.182 14.106 5.555 1.00 0.46 C ATOM 822 OE1 GLU A 58 0.185 15.273 5.828 1.00 0.68 O ATOM 823 OE2 GLU A 58 -0.184 13.190 6.398 1.00 0.59 O ATOM 0 H GLU A 58 1.523 14.828 1.602 1.00 0.23 H new ATOM 0 HA GLU A 58 0.351 12.275 1.421 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.849 12.388 3.584 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.329 14.060 3.369 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.102 14.692 3.719 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.395 13.024 4.170 1.00 0.36 H new ATOM 830 N ASP A 59 -1.767 14.767 1.517 1.00 0.37 N ATOM 831 CA ASP A 59 -3.157 15.137 1.283 1.00 0.48 C ATOM 832 C ASP A 59 -3.594 14.728 -0.118 1.00 0.41 C ATOM 833 O ASP A 59 -4.746 14.354 -0.343 1.00 0.50 O ATOM 834 CB ASP A 59 -3.325 16.644 1.472 1.00 0.63 C ATOM 835 CG ASP A 59 -4.721 17.143 1.136 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.561 17.266 2.056 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.997 17.387 -0.058 1.00 0.55 O ATOM 0 H ASP A 59 -1.141 15.561 1.655 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.787 14.612 2.001 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.095 16.901 2.506 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.601 17.164 0.845 1.00 0.63 H new ATOM 842 N GLY A 60 -2.653 14.770 -1.049 1.00 0.35 N ATOM 843 CA GLY A 60 -2.963 14.489 -2.431 1.00 0.41 C ATOM 844 C GLY A 60 -2.569 13.096 -2.861 1.00 0.43 C ATOM 845 O GLY A 60 -2.528 12.811 -4.050 1.00 0.83 O ATOM 0 H GLY A 60 -1.675 14.995 -0.868 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -4.033 14.622 -2.590 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.454 15.215 -3.065 1.00 0.41 H new ATOM 849 N ILE A 61 -2.247 12.229 -1.916 1.00 0.25 N ATOM 850 CA ILE A 61 -1.967 10.852 -2.247 1.00 0.20 C ATOM 851 C ILE A 61 -2.989 9.922 -1.632 1.00 0.15 C ATOM 852 O ILE A 61 -3.696 9.208 -2.330 1.00 0.17 O ATOM 853 CB ILE A 61 -0.543 10.429 -1.814 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.345 8.937 -2.010 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.261 10.789 -0.368 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.781 8.429 -3.373 1.00 0.20 C ATOM 0 H ILE A 61 -2.175 12.456 -0.924 1.00 0.25 H new ATOM 0 HA ILE A 61 -2.027 10.774 -3.333 1.00 0.20 H new ATOM 0 HB ILE A 61 0.157 10.976 -2.445 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.709 8.699 -1.865 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.901 8.403 -1.240 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.749 10.475 -0.105 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.351 11.867 -0.237 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.978 10.284 0.279 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.607 7.355 -3.434 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.842 8.633 -3.515 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.207 8.934 -4.150 1.00 0.20 H new ATOM 868 N VAL A 62 -3.078 9.969 -0.335 1.00 0.14 N ATOM 869 CA VAL A 62 -3.847 9.003 0.413 1.00 0.13 C ATOM 870 C VAL A 62 -5.326 9.111 0.103 1.00 0.19 C ATOM 871 O VAL A 62 -6.011 8.104 -0.046 1.00 0.24 O ATOM 872 CB VAL A 62 -3.587 9.185 1.907 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.431 8.254 2.730 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.138 8.925 2.192 1.00 0.12 C ATOM 0 H VAL A 62 -2.621 10.677 0.240 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.529 8.004 0.116 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.850 10.208 2.176 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.220 8.411 3.788 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.485 8.452 2.537 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.201 7.223 2.463 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -1.948 9.054 3.258 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -1.887 7.906 1.899 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.524 9.626 1.627 1.00 0.12 H new ATOM 884 N ASN A 63 -5.808 10.332 -0.015 1.00 0.23 N ATOM 885 CA ASN A 63 -7.201 10.555 -0.373 1.00 0.28 C ATOM 886 C ASN A 63 -7.401 10.369 -1.881 1.00 0.26 C ATOM 887 O ASN A 63 -8.514 10.140 -2.354 1.00 0.32 O ATOM 888 CB ASN A 63 -7.653 11.949 0.057 1.00 0.39 C ATOM 889 CG ASN A 63 -9.163 12.077 0.075 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.873 11.105 0.341 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.662 13.270 -0.198 1.00 1.20 N ATOM 0 H ASN A 63 -5.263 11.182 0.130 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.812 9.821 0.152 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -7.259 12.168 1.050 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -7.235 12.691 -0.623 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.672 13.414 -0.194 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -9.037 14.047 -0.413 1.00 1.20 H new ATOM 898 N SER A 64 -6.300 10.461 -2.621 1.00 0.25 N ATOM 899 CA SER A 64 -6.295 10.201 -4.060 1.00 0.30 C ATOM 900 C SER A 64 -6.417 8.710 -4.322 1.00 0.28 C ATOM 901 O SER A 64 -6.926 8.277 -5.357 1.00 0.39 O ATOM 902 CB SER A 64 -4.996 10.733 -4.671 1.00 0.38 C ATOM 903 OG SER A 64 -5.043 12.141 -4.815 1.00 1.17 O ATOM 0 H SER A 64 -5.388 10.717 -2.243 1.00 0.25 H new ATOM 0 HA SER A 64 -7.144 10.708 -4.518 1.00 0.30 H new ATOM 0 HB2 SER A 64 -4.152 10.456 -4.039 1.00 0.38 H new ATOM 0 HB3 SER A 64 -4.831 10.270 -5.644 1.00 0.38 H new ATOM 0 HG SER A 64 -4.282 12.440 -5.355 1.00 1.17 H new ATOM 909 N LEU A 65 -5.960 7.948 -3.352 1.00 0.21 N ATOM 910 CA LEU A 65 -5.942 6.502 -3.409 1.00 0.20 C ATOM 911 C LEU A 65 -7.238 5.919 -2.889 1.00 0.20 C ATOM 912 O LEU A 65 -8.040 6.630 -2.285 1.00 0.22 O ATOM 913 CB LEU A 65 -4.787 5.963 -2.583 1.00 0.21 C ATOM 914 CG LEU A 65 -3.412 6.343 -3.077 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.367 5.857 -2.103 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.177 5.756 -4.444 1.00 0.71 C ATOM 0 H LEU A 65 -5.582 8.325 -2.483 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.820 6.210 -4.452 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.898 6.317 -1.558 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -4.858 4.876 -2.554 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.342 7.428 -3.150 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.376 6.134 -2.464 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.538 6.313 -1.128 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.430 4.773 -2.012 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.183 6.035 -4.794 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.252 4.670 -4.391 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -3.926 6.138 -5.138 1.00 0.71 H new ATOM 928 N ALA A 66 -7.464 4.647 -3.193 1.00 0.21 N ATOM 929 CA ALA A 66 -8.600 3.921 -2.666 1.00 0.21 C ATOM 930 C ALA A 66 -8.689 4.098 -1.176 1.00 0.17 C ATOM 931 O ALA A 66 -7.683 4.061 -0.468 1.00 0.15 O ATOM 932 CB ALA A 66 -8.503 2.434 -2.979 1.00 0.23 C ATOM 0 H ALA A 66 -6.865 4.097 -3.809 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.493 4.325 -3.143 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.372 1.919 -2.569 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.472 2.291 -4.059 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.596 2.027 -2.533 1.00 0.23 H new ATOM 938 N LYS A 67 -9.890 4.294 -0.709 1.00 0.21 N ATOM 939 CA LYS A 67 -10.124 4.466 0.696 1.00 0.22 C ATOM 940 C LYS A 67 -10.858 3.255 1.218 1.00 0.29 C ATOM 941 O LYS A 67 -11.761 2.737 0.556 1.00 0.38 O ATOM 942 CB LYS A 67 -10.920 5.744 0.959 1.00 0.26 C ATOM 943 CG LYS A 67 -10.348 6.990 0.289 1.00 0.26 C ATOM 944 CD LYS A 67 -8.858 7.186 0.546 1.00 0.35 C ATOM 945 CE LYS A 67 -8.565 7.795 1.912 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.404 8.997 2.183 1.00 0.20 N ATOM 0 H LYS A 67 -10.729 4.339 -1.288 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.171 4.563 1.217 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -11.944 5.598 0.614 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -10.967 5.914 2.035 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.518 6.926 -0.786 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.889 7.866 0.646 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.352 6.224 0.467 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.443 7.830 -0.229 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -8.741 7.048 2.686 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -7.511 8.069 1.968 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.953 9.576 2.920 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.499 9.557 1.312 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -10.346 8.697 2.506 1.00 0.20 H new ATOM 960 N ASP A 68 -10.449 2.777 2.376 1.00 0.30 N ATOM 961 CA ASP A 68 -11.073 1.605 2.953 1.00 0.42 C ATOM 962 C ASP A 68 -12.377 2.014 3.628 1.00 0.49 C ATOM 963 O ASP A 68 -12.566 3.184 3.962 1.00 0.64 O ATOM 964 CB ASP A 68 -10.135 0.895 3.940 1.00 0.50 C ATOM 965 CG ASP A 68 -10.753 -0.358 4.486 1.00 1.21 C ATOM 966 OD1 ASP A 68 -10.475 -0.701 5.649 1.00 1.35 O ATOM 967 OD2 ASP A 68 -11.494 -1.030 3.744 1.00 2.24 O ATOM 0 H ASP A 68 -9.694 3.178 2.932 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.289 0.892 2.157 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -9.198 0.651 3.440 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.892 1.569 4.761 1.00 0.50 H new ATOM 972 N LYS A 69 -13.278 1.065 3.814 1.00 0.58 N ATOM 973 CA LYS A 69 -14.604 1.381 4.313 1.00 0.74 C ATOM 974 C LYS A 69 -14.633 1.483 5.832 1.00 0.70 C ATOM 975 O LYS A 69 -15.137 2.459 6.382 1.00 0.84 O ATOM 976 CB LYS A 69 -15.611 0.349 3.839 1.00 0.94 C ATOM 977 CG LYS A 69 -17.032 0.666 4.270 1.00 0.98 C ATOM 978 CD LYS A 69 -18.047 -0.076 3.429 1.00 1.81 C ATOM 979 CE LYS A 69 -17.964 -1.579 3.632 1.00 2.24 C ATOM 980 NZ LYS A 69 -19.003 -2.290 2.848 1.00 3.13 N ATOM 0 H LYS A 69 -13.117 0.075 3.628 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.875 2.357 3.912 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.573 0.285 2.752 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.329 -0.630 4.226 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.163 0.399 5.319 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.207 1.739 4.190 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -19.049 0.269 3.682 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -17.886 0.157 2.377 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -16.977 -1.934 3.336 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -18.082 -1.812 4.690 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -18.919 -3.314 3.009 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -19.945 -1.968 3.148 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -18.874 -2.087 1.836 1.00 3.13 H new ATOM 994 N SER A 70 -14.090 0.487 6.512 1.00 0.59 N ATOM 995 CA SER A 70 -14.185 0.439 7.962 1.00 0.65 C ATOM 996 C SER A 70 -12.878 0.840 8.640 1.00 0.70 C ATOM 997 O SER A 70 -12.887 1.479 9.691 1.00 0.87 O ATOM 998 CB SER A 70 -14.588 -0.962 8.409 1.00 0.65 C ATOM 999 OG SER A 70 -15.741 -1.403 7.706 1.00 1.13 O ATOM 0 H SER A 70 -13.584 -0.291 6.090 1.00 0.59 H new ATOM 0 HA SER A 70 -14.946 1.160 8.263 1.00 0.65 H new ATOM 0 HB2 SER A 70 -13.764 -1.655 8.237 1.00 0.65 H new ATOM 0 HB3 SER A 70 -14.787 -0.964 9.481 1.00 0.65 H new ATOM 0 HG SER A 70 -15.982 -2.304 8.006 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.755 0.466 8.033 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.465 0.705 8.653 1.00 0.73 C ATOM 1007 C GLY A 71 -10.246 -0.207 9.845 1.00 0.69 C ATOM 1008 O GLY A 71 -9.346 0.013 10.653 1.00 0.76 O ATOM 0 H GLY A 71 -11.716 0.003 7.125 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.673 0.546 7.921 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.400 1.745 8.972 1.00 0.73 H new ATOM 1012 N ASN A 72 -11.070 -1.250 9.924 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.087 -2.170 11.061 1.00 0.68 C ATOM 1014 C ASN A 72 -9.706 -2.784 11.291 1.00 0.62 C ATOM 1015 O ASN A 72 -9.268 -2.949 12.431 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.126 -3.275 10.811 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.417 -4.143 12.030 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -11.563 -4.371 12.883 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -13.643 -4.633 12.118 1.00 1.67 N ATOM 0 H ASN A 72 -11.748 -1.482 9.198 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.358 -1.612 11.957 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.056 -2.815 10.475 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -11.774 -3.913 10.000 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -13.902 -5.219 12.912 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -14.329 -4.425 11.392 1.00 1.67 H new ATOM 1026 N SER A 73 -9.010 -3.080 10.204 1.00 0.68 N ATOM 1027 CA SER A 73 -7.726 -3.763 10.280 1.00 0.70 C ATOM 1028 C SER A 73 -6.574 -2.791 10.563 1.00 0.61 C ATOM 1029 O SER A 73 -5.406 -3.177 10.526 1.00 0.64 O ATOM 1030 CB SER A 73 -7.477 -4.521 8.977 1.00 0.92 C ATOM 1031 OG SER A 73 -8.626 -5.265 8.604 1.00 1.74 O ATOM 0 H SER A 73 -9.313 -2.858 9.256 1.00 0.68 H new ATOM 0 HA SER A 73 -7.764 -4.465 11.113 1.00 0.70 H new ATOM 0 HB2 SER A 73 -7.219 -3.818 8.185 1.00 0.92 H new ATOM 0 HB3 SER A 73 -6.626 -5.192 9.097 1.00 0.92 H new ATOM 0 HG SER A 73 -8.449 -5.742 7.767 1.00 1.74 H new ATOM 1037 N SER A 74 -6.923 -1.531 10.850 1.00 0.56 N ATOM 1038 CA SER A 74 -5.944 -0.484 11.137 1.00 0.56 C ATOM 1039 C SER A 74 -4.981 -0.306 9.967 1.00 0.57 C ATOM 1040 O SER A 74 -3.793 -0.596 10.075 1.00 1.03 O ATOM 1041 CB SER A 74 -5.182 -0.812 12.424 1.00 0.67 C ATOM 1042 OG SER A 74 -6.080 -0.979 13.511 1.00 1.30 O ATOM 0 H SER A 74 -7.891 -1.212 10.889 1.00 0.56 H new ATOM 0 HA SER A 74 -6.475 0.457 11.279 1.00 0.56 H new ATOM 0 HB2 SER A 74 -4.598 -1.722 12.285 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.476 -0.012 12.648 1.00 0.67 H new ATOM 0 HG SER A 74 -5.574 -1.190 14.324 1.00 1.30 H new ATOM 1048 N THR A 75 -5.507 0.214 8.866 1.00 0.33 N ATOM 1049 CA THR A 75 -4.778 0.283 7.604 1.00 0.26 C ATOM 1050 C THR A 75 -3.557 1.213 7.688 1.00 0.25 C ATOM 1051 O THR A 75 -2.691 1.185 6.815 1.00 0.24 O ATOM 1052 CB THR A 75 -5.723 0.745 6.474 1.00 0.25 C ATOM 1053 OG1 THR A 75 -5.138 0.510 5.190 1.00 0.32 O ATOM 1054 CG2 THR A 75 -6.048 2.220 6.613 1.00 0.28 C ATOM 0 H THR A 75 -6.450 0.600 8.821 1.00 0.33 H new ATOM 0 HA THR A 75 -4.407 -0.718 7.385 1.00 0.26 H new ATOM 0 HB THR A 75 -6.642 0.165 6.558 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.606 1.045 4.515 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.715 2.523 5.806 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.535 2.396 7.572 1.00 0.28 H new ATOM 0 HG23 THR A 75 -5.128 2.802 6.561 1.00 0.28 H new ATOM 1062 N SER A 76 -3.499 2.039 8.735 1.00 0.27 N ATOM 1063 CA SER A 76 -2.363 2.934 8.985 1.00 0.29 C ATOM 1064 C SER A 76 -2.324 4.098 7.987 1.00 0.24 C ATOM 1065 O SER A 76 -2.042 5.236 8.365 1.00 0.29 O ATOM 1066 CB SER A 76 -1.043 2.156 8.971 1.00 0.35 C ATOM 1067 OG SER A 76 -1.085 1.078 9.896 1.00 0.94 O ATOM 0 H SER A 76 -4.238 2.108 9.435 1.00 0.27 H new ATOM 0 HA SER A 76 -2.498 3.363 9.978 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.851 1.774 7.968 1.00 0.35 H new ATOM 0 HB3 SER A 76 -0.219 2.824 9.221 1.00 0.35 H new ATOM 0 HG SER A 76 -0.234 0.592 9.871 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.597 3.817 6.720 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.775 4.867 5.730 1.00 0.15 C ATOM 1075 C ALA A 77 -4.079 5.576 6.000 1.00 0.16 C ATOM 1076 O ALA A 77 -5.126 4.943 6.010 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.796 4.299 4.330 1.00 0.14 C ATOM 0 H ALA A 77 -2.700 2.870 6.355 1.00 0.17 H new ATOM 0 HA ALA A 77 -1.939 5.562 5.804 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -2.930 5.107 3.611 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.854 3.789 4.130 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.619 3.590 4.237 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.033 6.889 6.216 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.212 7.651 6.633 1.00 0.16 C ATOM 1085 C PRO A 78 -6.440 7.362 5.760 1.00 0.16 C ATOM 1086 O PRO A 78 -6.563 7.853 4.643 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.733 9.093 6.462 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.270 9.027 6.691 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.835 7.735 6.079 1.00 0.17 C ATOM 0 HA PRO A 78 -5.544 7.406 7.642 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -4.962 9.472 5.466 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.217 9.759 7.176 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.761 9.873 6.229 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.036 9.057 7.755 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.545 7.859 5.036 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -1.977 7.309 6.600 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.365 6.595 6.322 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.588 6.207 5.628 1.00 0.22 C ATOM 1099 C GLY A 79 -8.384 5.432 4.318 1.00 0.17 C ATOM 1100 O GLY A 79 -9.351 5.184 3.606 1.00 0.20 O ATOM 0 H GLY A 79 -7.290 6.225 7.269 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.190 5.597 6.301 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.164 7.107 5.412 1.00 0.22 H new ATOM 1104 N SER A 80 -7.159 5.032 3.994 1.00 0.17 N ATOM 1105 CA SER A 80 -6.879 4.442 2.678 1.00 0.14 C ATOM 1106 C SER A 80 -6.905 2.926 2.694 1.00 0.21 C ATOM 1107 O SER A 80 -6.796 2.284 3.732 1.00 0.49 O ATOM 1108 CB SER A 80 -5.529 4.914 2.161 1.00 0.18 C ATOM 1109 OG SER A 80 -5.421 4.712 0.763 1.00 0.58 O ATOM 0 H SER A 80 -6.350 5.101 4.611 1.00 0.17 H new ATOM 0 HA SER A 80 -7.675 4.779 2.015 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.397 5.971 2.390 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.731 4.375 2.672 1.00 0.18 H new ATOM 0 HG SER A 80 -6.316 4.698 0.364 1.00 0.58 H new ATOM 1115 N ALA A 81 -7.032 2.377 1.502 1.00 0.14 N ATOM 1116 CA ALA A 81 -7.098 0.949 1.295 1.00 0.17 C ATOM 1117 C ALA A 81 -5.720 0.380 1.008 1.00 0.17 C ATOM 1118 O ALA A 81 -5.582 -0.596 0.275 1.00 0.21 O ATOM 1119 CB ALA A 81 -8.035 0.654 0.138 1.00 0.21 C ATOM 0 H ALA A 81 -7.093 2.920 0.641 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.475 0.478 2.203 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -8.088 -0.423 -0.022 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -9.030 1.036 0.369 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.661 1.137 -0.765 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.689 1.014 1.542 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.345 0.503 1.387 1.00 0.19 C ATOM 1127 C HIS A 82 -2.610 0.483 2.720 1.00 0.19 C ATOM 1128 O HIS A 82 -2.539 1.493 3.409 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.568 1.342 0.380 1.00 0.19 C ATOM 1130 CG HIS A 82 -3.125 1.320 -1.018 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.950 0.274 -1.898 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.881 2.236 -1.680 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -3.567 0.549 -3.036 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -4.139 1.732 -2.927 1.00 0.88 N ATOM 0 H HIS A 82 -4.760 1.876 2.082 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.418 -0.520 1.017 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.542 2.374 0.730 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.537 0.989 0.352 1.00 0.19 H new ATOM 0 HD2 HIS A 82 -4.217 3.187 -1.293 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -3.597 -0.088 -3.907 1.00 0.88 H new ATOM 0 HE2 HIS A 82 -4.685 2.196 -3.653 1.00 0.88 H new ATOM 1143 N GLN A 83 -2.057 -0.669 3.064 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.288 -0.827 4.291 1.00 0.25 C ATOM 1145 C GLN A 83 -0.163 -1.803 4.065 1.00 0.22 C ATOM 1146 O GLN A 83 -0.391 -2.944 3.731 1.00 0.20 O ATOM 1147 CB GLN A 83 -2.163 -1.351 5.425 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.364 -1.782 6.646 1.00 0.74 C ATOM 1149 CD GLN A 83 -2.232 -2.293 7.773 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -3.322 -2.819 7.547 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -1.740 -2.168 8.993 1.00 2.09 N ATOM 0 H GLN A 83 -2.127 -1.519 2.504 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.895 0.151 4.567 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.871 -0.576 5.717 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.747 -2.197 5.064 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -0.660 -2.562 6.355 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -0.775 -0.938 7.004 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -0.832 -1.725 9.134 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -2.268 -2.514 9.794 1.00 2.09 H new ATOM 1160 N ILE A 84 1.045 -1.361 4.263 1.00 0.23 N ATOM 1161 CA ILE A 84 2.184 -2.207 4.059 1.00 0.21 C ATOM 1162 C ILE A 84 2.601 -2.941 5.331 1.00 0.25 C ATOM 1163 O ILE A 84 2.734 -2.342 6.398 1.00 0.29 O ATOM 1164 CB ILE A 84 3.317 -1.357 3.496 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.021 -1.116 2.026 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.674 -2.004 3.699 1.00 0.29 C ATOM 1167 CD1 ILE A 84 2.880 0.347 1.667 1.00 0.20 C ATOM 0 H ILE A 84 1.267 -0.413 4.568 1.00 0.23 H new ATOM 0 HA ILE A 84 1.923 -2.990 3.347 1.00 0.21 H new ATOM 0 HB ILE A 84 3.367 -0.408 4.030 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.820 -1.553 1.427 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.101 -1.637 1.759 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.449 -1.362 3.282 1.00 0.29 H new ATOM 0 HG22 ILE A 84 4.854 -2.145 4.765 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.695 -2.971 3.197 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.669 0.442 0.602 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.062 0.785 2.239 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.807 0.870 1.901 1.00 0.20 H new ATOM 1179 N ASP A 85 2.788 -4.250 5.197 1.00 0.28 N ATOM 1180 CA ASP A 85 3.235 -5.094 6.296 1.00 0.32 C ATOM 1181 C ASP A 85 4.733 -4.960 6.447 1.00 0.38 C ATOM 1182 O ASP A 85 5.482 -5.365 5.570 1.00 0.37 O ATOM 1183 CB ASP A 85 2.901 -6.564 6.025 1.00 0.27 C ATOM 1184 CG ASP A 85 3.226 -7.463 7.203 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.297 -7.835 7.952 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.408 -7.810 7.380 1.00 0.54 O ATOM 0 H ASP A 85 2.634 -4.754 4.324 1.00 0.28 H new ATOM 0 HA ASP A 85 2.726 -4.775 7.205 1.00 0.32 H new ATOM 0 HB2 ASP A 85 1.841 -6.654 5.786 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.455 -6.903 5.150 1.00 0.27 H new ATOM 1191 N THR A 86 5.171 -4.387 7.542 1.00 0.49 N ATOM 1192 CA THR A 86 6.582 -4.143 7.744 1.00 0.58 C ATOM 1193 C THR A 86 7.285 -5.341 8.361 1.00 0.57 C ATOM 1194 O THR A 86 8.514 -5.433 8.348 1.00 0.63 O ATOM 1195 CB THR A 86 6.764 -2.905 8.611 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.015 -3.037 9.827 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.289 -1.692 7.839 1.00 0.82 C ATOM 0 H THR A 86 4.572 -4.080 8.308 1.00 0.49 H new ATOM 0 HA THR A 86 7.041 -3.975 6.770 1.00 0.58 H new ATOM 0 HB THR A 86 7.817 -2.790 8.866 1.00 0.75 H new ATOM 0 HG1 THR A 86 6.141 -2.236 10.377 1.00 0.81 H new ATOM 0 HG21 THR A 86 6.415 -0.799 8.451 1.00 0.82 H new ATOM 0 HG22 THR A 86 6.874 -1.591 6.925 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.236 -1.812 7.585 1.00 0.82 H new ATOM 1205 N THR A 87 6.496 -6.256 8.888 1.00 0.52 N ATOM 1206 CA THR A 87 7.012 -7.486 9.453 1.00 0.54 C ATOM 1207 C THR A 87 7.684 -8.333 8.373 1.00 0.50 C ATOM 1208 O THR A 87 8.870 -8.652 8.462 1.00 0.54 O ATOM 1209 CB THR A 87 5.879 -8.296 10.107 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.160 -7.475 11.041 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.435 -9.517 10.815 1.00 0.58 C ATOM 0 H THR A 87 5.481 -6.168 8.936 1.00 0.52 H new ATOM 0 HA THR A 87 7.749 -7.224 10.212 1.00 0.54 H new ATOM 0 HB THR A 87 5.197 -8.628 9.324 1.00 0.58 H new ATOM 0 HG1 THR A 87 4.440 -7.999 11.451 1.00 0.71 H new ATOM 0 HG21 THR A 87 5.618 -10.077 11.271 1.00 0.58 H new ATOM 0 HG22 THR A 87 6.952 -10.151 10.095 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.135 -9.202 11.589 1.00 0.58 H new ATOM 1219 N ASN A 88 6.920 -8.684 7.345 1.00 0.47 N ATOM 1220 CA ASN A 88 7.438 -9.479 6.236 1.00 0.53 C ATOM 1221 C ASN A 88 7.862 -8.573 5.089 1.00 0.52 C ATOM 1222 O ASN A 88 8.503 -9.010 4.131 1.00 0.64 O ATOM 1223 CB ASN A 88 6.384 -10.476 5.747 1.00 0.59 C ATOM 1224 CG ASN A 88 6.003 -11.494 6.804 1.00 0.76 C ATOM 1225 OD1 ASN A 88 5.083 -11.274 7.591 1.00 1.26 O ATOM 1226 ND2 ASN A 88 6.698 -12.621 6.824 1.00 1.50 N ATOM 0 H ASN A 88 5.936 -8.430 7.256 1.00 0.47 H new ATOM 0 HA ASN A 88 8.306 -10.034 6.592 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.493 -9.932 5.435 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.763 -10.997 4.868 1.00 0.59 H new ATOM 0 HD21 ASN A 88 6.477 -13.344 7.509 1.00 1.50 H new ATOM 0 HD22 ASN A 88 7.454 -12.766 6.155 1.00 1.50 H new ATOM 1233 N HIS A 89 7.459 -7.307 5.199 1.00 0.47 N ATOM 1234 CA HIS A 89 7.831 -6.258 4.252 1.00 0.53 C ATOM 1235 C HIS A 89 7.089 -6.429 2.943 1.00 0.43 C ATOM 1236 O HIS A 89 7.678 -6.450 1.861 1.00 0.45 O ATOM 1237 CB HIS A 89 9.336 -6.207 4.018 1.00 0.72 C ATOM 1238 CG HIS A 89 10.073 -5.448 5.070 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.127 -5.971 5.782 1.00 1.28 N ATOM 1240 CD2 HIS A 89 9.916 -4.179 5.510 1.00 0.96 C ATOM 1241 CE1 HIS A 89 11.585 -5.058 6.617 1.00 1.48 C ATOM 1242 NE2 HIS A 89 10.869 -3.961 6.471 1.00 1.26 N ATOM 0 H HIS A 89 6.859 -6.979 5.956 1.00 0.47 H new ATOM 0 HA HIS A 89 7.540 -5.305 4.694 1.00 0.53 H new ATOM 0 HB2 HIS A 89 9.724 -7.225 3.975 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.530 -5.750 3.047 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.177 -3.469 5.168 1.00 0.96 H new ATOM 0 HE1 HIS A 89 12.408 -5.188 7.304 1.00 1.48 H new ATOM 0 HE2 HIS A 89 11.002 -3.092 6.988 1.00 1.26 H new ATOM 1251 N LYS A 90 5.784 -6.531 3.068 1.00 0.35 N ATOM 1252 CA LYS A 90 4.903 -6.698 1.936 1.00 0.28 C ATOM 1253 C LYS A 90 4.053 -5.461 1.739 1.00 0.23 C ATOM 1254 O LYS A 90 3.660 -4.804 2.698 1.00 0.26 O ATOM 1255 CB LYS A 90 3.997 -7.894 2.187 1.00 0.30 C ATOM 1256 CG LYS A 90 4.547 -9.213 1.682 1.00 0.33 C ATOM 1257 CD LYS A 90 3.622 -10.362 2.039 1.00 0.32 C ATOM 1258 CE LYS A 90 3.310 -10.367 3.527 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.656 -11.629 3.962 1.00 0.44 N ATOM 0 H LYS A 90 5.302 -6.500 3.966 1.00 0.35 H new ATOM 0 HA LYS A 90 5.502 -6.859 1.040 1.00 0.28 H new ATOM 0 HB2 LYS A 90 3.814 -7.977 3.258 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.033 -7.710 1.712 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.675 -9.167 0.600 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.533 -9.388 2.112 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.696 -10.279 1.470 1.00 0.32 H new ATOM 0 HD3 LYS A 90 4.085 -11.308 1.758 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.233 -10.226 4.090 1.00 0.34 H new ATOM 0 HE3 LYS A 90 2.661 -9.524 3.763 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 2.463 -11.586 4.983 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.762 -11.753 3.445 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 3.285 -12.433 3.762 1.00 0.44 H new ATOM 1273 N LEU A 91 3.758 -5.165 0.498 1.00 0.20 N ATOM 1274 CA LEU A 91 2.856 -4.084 0.168 1.00 0.17 C ATOM 1275 C LEU A 91 1.461 -4.671 0.082 1.00 0.14 C ATOM 1276 O LEU A 91 1.092 -5.318 -0.892 1.00 0.17 O ATOM 1277 CB LEU A 91 3.308 -3.415 -1.145 1.00 0.26 C ATOM 1278 CG LEU A 91 2.478 -2.239 -1.725 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.131 -2.023 -1.052 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.274 -0.959 -1.670 1.00 0.16 C ATOM 0 H LEU A 91 4.133 -5.662 -0.310 1.00 0.20 H new ATOM 0 HA LEU A 91 2.860 -3.302 0.927 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.326 -3.055 -0.995 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.354 -4.191 -1.909 1.00 0.26 H new ATOM 0 HG LEU A 91 2.264 -2.521 -2.756 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.621 -1.182 -1.521 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.523 -2.921 -1.158 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.283 -1.811 0.006 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.679 -0.143 -2.080 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.532 -0.735 -0.635 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.187 -1.073 -2.255 1.00 0.16 H new ATOM 1292 N ILE A 92 0.709 -4.429 1.134 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.653 -4.878 1.255 1.00 0.16 C ATOM 1294 C ILE A 92 -1.598 -3.743 0.915 1.00 0.17 C ATOM 1295 O ILE A 92 -1.292 -2.570 1.126 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.911 -5.358 2.699 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.374 -6.771 2.907 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.385 -5.276 3.095 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.101 -6.817 3.176 1.00 0.22 C ATOM 0 H ILE A 92 1.038 -3.903 1.944 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.824 -5.704 0.564 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.370 -4.676 3.355 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.902 -7.233 3.741 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.593 -7.368 2.022 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.506 -5.626 4.120 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.724 -4.243 3.022 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.977 -5.901 2.426 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.414 -7.852 3.314 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.638 -6.385 2.332 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.324 -6.247 4.078 1.00 0.22 H new ATOM 1311 N SER A 93 -2.722 -4.085 0.348 1.00 0.20 N ATOM 1312 CA SER A 93 -3.755 -3.118 0.122 1.00 0.26 C ATOM 1313 C SER A 93 -5.056 -3.641 0.701 1.00 0.37 C ATOM 1314 O SER A 93 -5.623 -4.584 0.175 1.00 0.61 O ATOM 1315 CB SER A 93 -3.862 -2.842 -1.362 1.00 0.40 C ATOM 1316 OG SER A 93 -2.587 -2.526 -1.907 1.00 1.41 O ATOM 0 H SER A 93 -2.944 -5.030 0.034 1.00 0.20 H new ATOM 0 HA SER A 93 -3.522 -2.176 0.618 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.275 -3.713 -1.870 1.00 0.40 H new ATOM 0 HB3 SER A 93 -4.552 -2.016 -1.535 1.00 0.40 H new ATOM 0 HG SER A 93 -2.401 -1.573 -1.774 1.00 1.41 H new ATOM 1322 N THR A 94 -5.512 -3.006 1.771 1.00 0.34 N ATOM 1323 CA THR A 94 -6.541 -3.562 2.638 1.00 0.38 C ATOM 1324 C THR A 94 -7.944 -3.060 2.292 1.00 0.42 C ATOM 1325 O THR A 94 -8.148 -1.875 2.033 1.00 0.49 O ATOM 1326 CB THR A 94 -6.228 -3.180 4.100 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.966 -3.734 4.499 1.00 0.45 O ATOM 1328 CG2 THR A 94 -7.319 -3.645 5.053 1.00 0.48 C ATOM 0 H THR A 94 -5.178 -2.088 2.063 1.00 0.34 H new ATOM 0 HA THR A 94 -6.532 -4.643 2.496 1.00 0.38 H new ATOM 0 HB THR A 94 -6.181 -2.092 4.150 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.778 -3.483 5.428 1.00 0.45 H new ATOM 0 HG21 THR A 94 -7.060 -3.356 6.072 1.00 0.48 H new ATOM 0 HG22 THR A 94 -8.266 -3.183 4.775 1.00 0.48 H new ATOM 0 HG23 THR A 94 -7.414 -4.729 4.996 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.899 -3.984 2.283 1.00 0.43 N ATOM 1337 CA PHE A 95 -10.311 -3.638 2.190 1.00 0.50 C ATOM 1338 C PHE A 95 -11.087 -4.299 3.301 1.00 0.53 C ATOM 1339 O PHE A 95 -11.222 -5.518 3.295 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.928 -4.131 0.898 1.00 0.55 C ATOM 1341 CG PHE A 95 -12.356 -3.682 0.729 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -13.413 -4.516 1.087 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -12.642 -2.420 0.234 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -14.720 -4.092 0.953 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -13.949 -1.995 0.096 1.00 1.13 C ATOM 1346 CZ PHE A 95 -14.989 -2.831 0.458 1.00 1.23 C ATOM 0 H PHE A 95 -8.717 -4.986 2.340 1.00 0.43 H new ATOM 0 HA PHE A 95 -10.362 -2.551 2.247 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -10.336 -3.771 0.057 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.888 -5.220 0.873 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -13.208 -5.504 1.473 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -11.834 -1.761 -0.047 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -15.532 -4.746 1.235 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -14.158 -1.010 -0.295 1.00 1.13 H new ATOM 0 HZ PHE A 95 -16.011 -2.498 0.354 1.00 1.23 H new ATOM 1356 N THR A 96 -11.636 -3.527 4.207 1.00 0.60 N ATOM 1357 CA THR A 96 -12.427 -4.094 5.272 1.00 0.69 C ATOM 1358 C THR A 96 -13.866 -4.309 4.831 1.00 0.86 C ATOM 1359 O THR A 96 -14.619 -3.355 4.612 1.00 1.02 O ATOM 1360 CB THR A 96 -12.404 -3.231 6.534 1.00 0.79 C ATOM 1361 OG1 THR A 96 -12.690 -1.870 6.214 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.053 -3.327 7.194 1.00 0.74 C ATOM 0 H THR A 96 -11.551 -2.511 4.229 1.00 0.60 H new ATOM 0 HA THR A 96 -11.975 -5.057 5.511 1.00 0.69 H new ATOM 0 HB THR A 96 -13.168 -3.596 7.220 1.00 0.79 H new ATOM 0 HG1 THR A 96 -11.868 -1.340 6.277 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.042 -2.710 8.093 1.00 0.74 H new ATOM 0 HG22 THR A 96 -10.853 -4.364 7.463 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.285 -2.976 6.504 1.00 0.74 H new ATOM 1440 N ALA A 103 -9.647 -8.794 5.209 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.688 -7.760 4.195 1.00 0.61 C ATOM 1442 C ALA A 103 -9.189 -8.264 2.874 1.00 0.58 C ATOM 1443 O ALA A 103 -8.473 -9.260 2.779 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.870 -6.566 4.641 1.00 0.52 C ATOM 0 HA ALA A 103 -10.727 -7.458 4.064 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.906 -5.793 3.873 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.279 -6.172 5.572 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.836 -6.872 4.800 1.00 0.52 H new ATOM 1450 N THR A 104 -9.610 -7.560 1.862 1.00 0.53 N ATOM 1451 CA THR A 104 -9.165 -7.800 0.524 1.00 0.50 C ATOM 1452 C THR A 104 -7.797 -7.181 0.372 1.00 0.43 C ATOM 1453 O THR A 104 -7.557 -6.100 0.900 1.00 0.51 O ATOM 1454 CB THR A 104 -10.158 -7.191 -0.465 1.00 0.53 C ATOM 1455 OG1 THR A 104 -10.732 -8.221 -1.269 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.497 -6.141 -1.343 1.00 0.56 C ATOM 0 H THR A 104 -10.280 -6.795 1.947 1.00 0.53 H new ATOM 0 HA THR A 104 -9.105 -8.869 0.319 1.00 0.50 H new ATOM 0 HB THR A 104 -10.945 -6.696 0.104 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.687 -8.041 -1.398 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.232 -5.729 -2.034 1.00 0.56 H new ATOM 0 HG22 THR A 104 -9.099 -5.342 -0.718 1.00 0.56 H new ATOM 0 HG23 THR A 104 -8.685 -6.598 -1.908 1.00 0.56 H new ATOM 1464 N VAL A 105 -6.891 -7.888 -0.275 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.523 -7.432 -0.353 1.00 0.28 C ATOM 1466 C VAL A 105 -4.954 -7.519 -1.761 1.00 0.25 C ATOM 1467 O VAL A 105 -5.149 -8.506 -2.471 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.624 -8.243 0.595 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.200 -7.725 0.567 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.167 -8.217 2.018 1.00 0.35 C ATOM 0 H VAL A 105 -7.078 -8.772 -0.749 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.536 -6.383 -0.056 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.622 -9.276 0.246 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.585 -8.315 1.246 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.803 -7.805 -0.445 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.186 -6.681 0.880 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.513 -8.798 2.668 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.209 -7.187 2.373 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.168 -8.647 2.033 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.266 -6.462 -2.153 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.383 -6.494 -3.306 1.00 0.17 C ATOM 1482 C LEU A 106 -1.948 -6.430 -2.812 1.00 0.15 C ATOM 1483 O LEU A 106 -1.485 -5.376 -2.370 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.674 -5.335 -4.260 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.826 -5.557 -5.244 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.583 -6.814 -6.060 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.167 -5.644 -4.517 1.00 0.26 C ATOM 0 H LEU A 106 -4.303 -5.558 -1.682 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.548 -7.417 -3.862 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -3.893 -4.447 -3.667 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.770 -5.122 -4.830 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.866 -4.700 -5.917 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.409 -6.961 -6.756 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.652 -6.711 -6.618 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.513 -7.673 -5.393 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -6.965 -5.802 -5.243 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.146 -6.477 -3.814 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.348 -4.716 -3.975 1.00 0.26 H new ATOM 1499 N THR A 107 -1.251 -7.556 -2.881 1.00 0.15 N ATOM 1500 CA THR A 107 0.049 -7.678 -2.235 1.00 0.12 C ATOM 1501 C THR A 107 1.205 -7.589 -3.226 1.00 0.12 C ATOM 1502 O THR A 107 1.091 -7.975 -4.389 1.00 0.19 O ATOM 1503 CB THR A 107 0.175 -9.005 -1.460 1.00 0.17 C ATOM 1504 OG1 THR A 107 -1.048 -9.289 -0.777 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.319 -8.939 -0.447 1.00 0.24 C ATOM 0 H THR A 107 -1.561 -8.393 -3.374 1.00 0.15 H new ATOM 0 HA THR A 107 0.111 -6.837 -1.544 1.00 0.12 H new ATOM 0 HB THR A 107 0.388 -9.798 -2.177 1.00 0.17 H new ATOM 0 HG1 THR A 107 -0.961 -10.134 -0.288 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.387 -9.887 0.087 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.257 -8.748 -0.969 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.129 -8.135 0.264 1.00 0.24 H new ATOM 1513 N TYR A 108 2.303 -7.042 -2.741 1.00 0.13 N ATOM 1514 CA TYR A 108 3.562 -7.022 -3.455 1.00 0.15 C ATOM 1515 C TYR A 108 4.688 -7.294 -2.467 1.00 0.17 C ATOM 1516 O TYR A 108 4.664 -6.798 -1.344 1.00 0.20 O ATOM 1517 CB TYR A 108 3.758 -5.671 -4.147 1.00 0.17 C ATOM 1518 CG TYR A 108 5.205 -5.298 -4.379 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.843 -4.413 -3.523 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.927 -5.817 -5.446 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.156 -4.052 -3.718 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.248 -5.462 -5.649 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.858 -4.579 -4.781 1.00 0.20 C ATOM 1524 OH TYR A 108 9.171 -4.217 -4.981 1.00 0.23 O ATOM 0 H TYR A 108 2.344 -6.593 -1.826 1.00 0.13 H new ATOM 0 HA TYR A 108 3.564 -7.793 -4.226 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.241 -5.688 -5.106 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.286 -4.895 -3.544 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.299 -3.999 -2.687 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.450 -6.507 -6.126 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.635 -3.359 -3.042 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.799 -5.873 -6.482 1.00 0.21 H new ATOM 0 HH TYR A 108 9.521 -4.678 -5.772 1.00 0.23 H new ATOM 1534 N ASP A 109 5.659 -8.079 -2.876 1.00 0.17 N ATOM 1535 CA ASP A 109 6.761 -8.444 -2.016 1.00 0.19 C ATOM 1536 C ASP A 109 8.012 -7.678 -2.402 1.00 0.23 C ATOM 1537 O ASP A 109 8.438 -7.711 -3.552 1.00 0.29 O ATOM 1538 CB ASP A 109 7.017 -9.952 -2.097 1.00 0.23 C ATOM 1539 CG ASP A 109 7.024 -10.484 -3.519 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.093 -10.900 -4.000 1.00 1.94 O ATOM 1541 OD2 ASP A 109 5.949 -10.492 -4.161 1.00 1.85 O ATOM 0 H ASP A 109 5.707 -8.481 -3.812 1.00 0.17 H new ATOM 0 HA ASP A 109 6.500 -8.186 -0.990 1.00 0.19 H new ATOM 0 HB2 ASP A 109 7.975 -10.177 -1.628 1.00 0.23 H new ATOM 0 HB3 ASP A 109 6.251 -10.475 -1.524 1.00 0.23 H new ATOM 1546 N TRP A 110 8.574 -6.956 -1.446 1.00 0.24 N ATOM 1547 CA TRP A 110 9.831 -6.257 -1.665 1.00 0.30 C ATOM 1548 C TRP A 110 10.996 -7.139 -1.233 1.00 0.43 C ATOM 1549 O TRP A 110 12.013 -7.233 -1.919 1.00 0.52 O ATOM 1550 CB TRP A 110 9.858 -4.920 -0.911 1.00 0.26 C ATOM 1551 CG TRP A 110 11.244 -4.387 -0.695 1.00 0.30 C ATOM 1552 CD1 TRP A 110 12.005 -3.710 -1.598 1.00 0.74 C ATOM 1553 CD2 TRP A 110 12.037 -4.499 0.495 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.219 -3.384 -1.041 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.261 -3.860 0.244 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.825 -5.075 1.748 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.269 -3.781 1.202 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.826 -4.998 2.699 1.00 2.91 C ATOM 1559 CH2 TRP A 110 14.035 -4.352 2.424 1.00 2.54 C ATOM 0 H TRP A 110 8.181 -6.838 -0.512 1.00 0.24 H new ATOM 0 HA TRP A 110 9.925 -6.040 -2.729 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.277 -4.185 -1.468 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.370 -5.046 0.056 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.700 -3.465 -2.605 1.00 0.74 H new ATOM 0 HE1 TRP A 110 13.967 -2.871 -1.508 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.893 -5.573 1.972 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.204 -3.286 0.988 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.671 -5.444 3.670 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.797 -4.303 3.188 1.00 2.54 H new ATOM 1570 N SER A 111 10.825 -7.798 -0.099 1.00 0.53 N ATOM 1571 CA SER A 111 11.869 -8.636 0.469 1.00 0.69 C ATOM 1572 C SER A 111 12.104 -9.871 -0.393 1.00 0.68 C ATOM 1573 O SER A 111 13.213 -10.402 -0.449 1.00 0.85 O ATOM 1574 CB SER A 111 11.490 -9.053 1.888 1.00 0.82 C ATOM 1575 OG SER A 111 12.537 -9.777 2.514 1.00 1.56 O ATOM 0 H SER A 111 9.966 -7.768 0.450 1.00 0.53 H new ATOM 0 HA SER A 111 12.793 -8.059 0.499 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.255 -8.167 2.478 1.00 0.82 H new ATOM 0 HB3 SER A 111 10.589 -9.665 1.860 1.00 0.82 H new ATOM 0 HG SER A 111 12.264 -10.028 3.421 1.00 1.56 H new