USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 80 ASN : amide:sc= -1.25 K(o=-1.2,f=-5.1!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0233) USER MOD Set 2.1: A 45 GLN : amide:sc= 0.538 K(o=1.1,f=-9.4!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 174:sc= 0.523 (180deg=-0.295) USER MOD Set 3.1: A 57 ASN : amide:sc= 0.331 K(o=0.68,f=-0.04) USER MOD Set 3.2: A 67 THR OG1 : rot -88:sc= 0.348 USER MOD Single : A 23 MET CE :methyl -148:sc= -0.231 (180deg=-1.21) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -61:sc= 1.16 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 167:sc= 0.175 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.212 F(o=-1,f=-0.21) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 52 ASN : amide:sc= 0.242 X(o=0.24,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-8.49e-05 K(o=-8.5e-05,f=-1) USER MOD Single : A 66 TYR OH : rot 130:sc= -2.4! USER MOD Single : A 68 THR OG1 : rot 56:sc= 0.187 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0117) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 59.715 -17.736 8.534 1.00 10.94 N ATOM 2 CA MET A 23 60.582 -17.244 7.427 1.00 10.35 C ATOM 3 C MET A 23 60.157 -15.832 7.039 1.00 9.43 C ATOM 4 O MET A 23 59.264 -15.646 6.212 1.00 9.09 O ATOM 5 CB MET A 23 60.446 -18.179 6.222 1.00 10.57 C ATOM 6 CG MET A 23 60.977 -19.566 6.590 1.00 11.57 C ATOM 7 SD MET A 23 61.029 -20.614 5.114 1.00 12.15 S ATOM 8 CE MET A 23 59.263 -20.561 4.721 1.00 12.34 C ATOM 0 HA MET A 23 61.622 -17.228 7.754 1.00 10.35 H new ATOM 0 HB2 MET A 23 59.402 -18.247 5.917 1.00 10.57 H new ATOM 0 HB3 MET A 23 61.001 -17.779 5.373 1.00 10.57 H new ATOM 0 HG2 MET A 23 61.974 -19.481 7.022 1.00 11.57 H new ATOM 0 HG3 MET A 23 60.339 -20.021 7.348 1.00 11.57 H new ATOM 0 HE1 MET A 23 58.964 -21.503 4.261 1.00 12.34 H new ATOM 0 HE2 MET A 23 58.691 -20.407 5.636 1.00 12.34 H new ATOM 0 HE3 MET A 23 59.069 -19.741 4.029 1.00 12.34 H new ATOM 20 N ALA A 24 60.800 -14.838 7.643 1.00 9.26 N ATOM 21 CA ALA A 24 60.476 -13.446 7.354 1.00 8.60 C ATOM 22 C ALA A 24 61.169 -12.988 6.074 1.00 7.85 C ATOM 23 O ALA A 24 62.385 -13.106 5.939 1.00 7.84 O ATOM 24 CB ALA A 24 60.911 -12.555 8.518 1.00 9.02 C ATOM 0 H ALA A 24 61.542 -14.969 8.330 1.00 9.26 H new ATOM 0 HA ALA A 24 59.397 -13.365 7.219 1.00 8.60 H new ATOM 0 HB1 ALA A 24 60.665 -11.517 8.293 1.00 9.02 H new ATOM 0 HB2 ALA A 24 60.392 -12.863 9.426 1.00 9.02 H new ATOM 0 HB3 ALA A 24 61.987 -12.649 8.666 1.00 9.02 H new ATOM 30 N SER A 25 60.383 -12.468 5.135 1.00 7.48 N ATOM 31 CA SER A 25 60.935 -11.981 3.875 1.00 7.06 C ATOM 32 C SER A 25 61.943 -10.858 4.111 1.00 6.13 C ATOM 33 O SER A 25 62.952 -10.765 3.411 1.00 5.81 O ATOM 34 CB SER A 25 59.807 -11.471 2.978 1.00 7.43 C ATOM 35 OG SER A 25 60.335 -11.158 1.696 1.00 7.66 O ATOM 0 H SER A 25 59.371 -12.374 5.221 1.00 7.48 H new ATOM 0 HA SER A 25 61.449 -12.810 3.389 1.00 7.06 H new ATOM 0 HB2 SER A 25 59.027 -12.227 2.889 1.00 7.43 H new ATOM 0 HB3 SER A 25 59.346 -10.588 3.420 1.00 7.43 H new ATOM 0 HG SER A 25 59.615 -10.832 1.116 1.00 7.66 H new ATOM 41 N GLU A 26 61.668 -10.007 5.095 1.00 6.02 N ATOM 42 CA GLU A 26 62.546 -8.880 5.391 1.00 5.52 C ATOM 43 C GLU A 26 63.958 -9.353 5.729 1.00 4.55 C ATOM 44 O GLU A 26 64.939 -8.705 5.364 1.00 4.71 O ATOM 45 CB GLU A 26 61.984 -8.076 6.565 1.00 6.21 C ATOM 46 CG GLU A 26 62.808 -6.796 6.751 1.00 7.11 C ATOM 47 CD GLU A 26 62.348 -5.992 7.973 1.00 7.09 C ATOM 48 OE1 GLU A 26 61.441 -6.425 8.670 1.00 6.52 O ATOM 49 OE2 GLU A 26 62.920 -4.938 8.196 1.00 7.84 O ATOM 0 H GLU A 26 60.848 -10.076 5.698 1.00 6.02 H new ATOM 0 HA GLU A 26 62.596 -8.251 4.503 1.00 5.52 H new ATOM 0 HB2 GLU A 26 60.939 -7.825 6.380 1.00 6.21 H new ATOM 0 HB3 GLU A 26 62.012 -8.674 7.476 1.00 6.21 H new ATOM 0 HG2 GLU A 26 63.861 -7.055 6.862 1.00 7.11 H new ATOM 0 HG3 GLU A 26 62.725 -6.178 5.857 1.00 7.11 H new ATOM 56 N SER A 27 64.059 -10.477 6.432 1.00 3.94 N ATOM 57 CA SER A 27 65.365 -11.008 6.821 1.00 3.27 C ATOM 58 C SER A 27 66.261 -11.281 5.609 1.00 2.27 C ATOM 59 O SER A 27 67.486 -11.238 5.722 1.00 2.60 O ATOM 60 CB SER A 27 65.183 -12.303 7.614 1.00 3.88 C ATOM 61 OG SER A 27 64.745 -13.331 6.736 1.00 4.25 O ATOM 0 H SER A 27 63.263 -11.034 6.742 1.00 3.94 H new ATOM 0 HA SER A 27 65.853 -10.252 7.436 1.00 3.27 H new ATOM 0 HB2 SER A 27 66.122 -12.589 8.088 1.00 3.88 H new ATOM 0 HB3 SER A 27 64.455 -12.156 8.412 1.00 3.88 H new ATOM 0 HG SER A 27 63.885 -13.078 6.339 1.00 4.25 H new ATOM 67 N ASN A 28 65.658 -11.560 4.454 1.00 1.86 N ATOM 68 CA ASN A 28 66.432 -11.851 3.249 1.00 1.90 C ATOM 69 C ASN A 28 67.398 -10.716 2.901 1.00 1.49 C ATOM 70 O ASN A 28 68.449 -10.957 2.306 1.00 2.29 O ATOM 71 CB ASN A 28 65.484 -12.087 2.071 1.00 2.82 C ATOM 72 CG ASN A 28 64.630 -13.329 2.315 1.00 3.50 C ATOM 73 OD1 ASN A 28 65.000 -14.197 3.107 1.00 3.69 O ATOM 74 ND2 ASN A 28 63.501 -13.466 1.677 1.00 4.39 N ATOM 0 H ASN A 28 64.646 -11.591 4.328 1.00 1.86 H new ATOM 0 HA ASN A 28 67.022 -12.746 3.445 1.00 1.90 H new ATOM 0 HB2 ASN A 28 64.841 -11.217 1.933 1.00 2.82 H new ATOM 0 HB3 ASN A 28 66.058 -12.208 1.152 1.00 2.82 H new ATOM 0 HD21 ASN A 28 62.924 -14.292 1.834 1.00 4.39 H new ATOM 0 HD22 ASN A 28 63.195 -12.747 1.021 1.00 4.39 H new ATOM 81 N GLY A 29 67.048 -9.485 3.267 1.00 0.74 N ATOM 82 CA GLY A 29 67.899 -8.339 2.969 1.00 0.29 C ATOM 83 C GLY A 29 68.711 -7.923 4.192 1.00 0.24 C ATOM 84 O GLY A 29 68.153 -7.569 5.230 1.00 0.28 O ATOM 0 H GLY A 29 66.188 -9.258 3.766 1.00 0.74 H new ATOM 0 HA2 GLY A 29 68.573 -8.586 2.149 1.00 0.29 H new ATOM 0 HA3 GLY A 29 67.284 -7.503 2.636 1.00 0.29 H new ATOM 88 N ARG A 30 70.033 -7.971 4.061 1.00 0.19 N ATOM 89 CA ARG A 30 70.915 -7.565 5.150 1.00 0.19 C ATOM 90 C ARG A 30 70.646 -6.111 5.530 1.00 0.15 C ATOM 91 O ARG A 30 70.269 -5.312 4.676 1.00 0.13 O ATOM 92 CB ARG A 30 72.377 -7.727 4.732 1.00 0.21 C ATOM 93 CG ARG A 30 72.668 -9.203 4.451 1.00 0.59 C ATOM 94 CD ARG A 30 74.152 -9.380 4.129 1.00 0.95 C ATOM 95 NE ARG A 30 74.409 -10.745 3.660 1.00 1.70 N ATOM 96 CZ ARG A 30 75.500 -11.094 2.961 1.00 2.16 C ATOM 97 NH1 ARG A 30 76.430 -10.228 2.637 1.00 2.37 N ATOM 98 NH2 ARG A 30 75.639 -12.337 2.589 1.00 2.74 N ATOM 0 H ARG A 30 70.515 -8.285 3.218 1.00 0.19 H new ATOM 0 HA ARG A 30 70.719 -8.201 6.013 1.00 0.19 H new ATOM 0 HB2 ARG A 30 72.580 -7.130 3.843 1.00 0.21 H new ATOM 0 HB3 ARG A 30 73.034 -7.360 5.520 1.00 0.21 H new ATOM 0 HG2 ARG A 30 72.398 -9.809 5.316 1.00 0.59 H new ATOM 0 HG3 ARG A 30 72.060 -9.552 3.616 1.00 0.59 H new ATOM 0 HD2 ARG A 30 74.454 -8.663 3.366 1.00 0.95 H new ATOM 0 HD3 ARG A 30 74.751 -9.173 5.016 1.00 0.95 H new ATOM 0 HE ARG A 30 73.722 -11.468 3.876 1.00 1.70 H new ATOM 0 HH11 ARG A 30 76.338 -9.252 2.917 1.00 2.37 H new ATOM 0 HH12 ARG A 30 77.246 -10.531 2.105 1.00 2.37 H new ATOM 0 HH21 ARG A 30 74.925 -13.024 2.830 1.00 2.74 H new ATOM 0 HH22 ARG A 30 76.462 -12.621 2.057 1.00 2.74 H new ATOM 112 N LYS A 31 70.800 -5.777 6.809 1.00 0.15 N ATOM 113 CA LYS A 31 70.622 -4.393 7.243 1.00 0.13 C ATOM 114 C LYS A 31 71.861 -3.572 6.897 1.00 0.11 C ATOM 115 O LYS A 31 72.988 -4.014 7.121 1.00 0.13 O ATOM 116 CB LYS A 31 70.363 -4.338 8.751 1.00 0.16 C ATOM 117 CG LYS A 31 69.045 -5.045 9.069 1.00 0.92 C ATOM 118 CD LYS A 31 68.732 -4.898 10.560 1.00 0.91 C ATOM 119 CE LYS A 31 67.479 -5.705 10.903 1.00 1.87 C ATOM 120 NZ LYS A 31 67.855 -7.127 11.144 1.00 2.29 N ATOM 0 H LYS A 31 71.043 -6.432 7.552 1.00 0.15 H new ATOM 0 HA LYS A 31 69.761 -3.973 6.724 1.00 0.13 H new ATOM 0 HB2 LYS A 31 71.182 -4.815 9.289 1.00 0.16 H new ATOM 0 HB3 LYS A 31 70.322 -3.302 9.086 1.00 0.16 H new ATOM 0 HG2 LYS A 31 68.238 -4.618 8.474 1.00 0.92 H new ATOM 0 HG3 LYS A 31 69.113 -6.100 8.803 1.00 0.92 H new ATOM 0 HD2 LYS A 31 69.576 -5.247 11.155 1.00 0.91 H new ATOM 0 HD3 LYS A 31 68.580 -3.848 10.808 1.00 0.91 H new ATOM 0 HE2 LYS A 31 66.997 -5.290 11.788 1.00 1.87 H new ATOM 0 HE3 LYS A 31 66.758 -5.641 10.088 1.00 1.87 H new ATOM 0 HZ1 LYS A 31 67.003 -7.677 11.377 1.00 2.29 H new ATOM 0 HZ2 LYS A 31 68.296 -7.519 10.288 1.00 2.29 H new ATOM 0 HZ3 LYS A 31 68.528 -7.179 11.935 1.00 2.29 H new ATOM 134 N VAL A 32 71.652 -2.375 6.350 1.00 0.09 N ATOM 135 CA VAL A 32 72.771 -1.506 5.983 1.00 0.09 C ATOM 136 C VAL A 32 72.507 -0.057 6.395 1.00 0.08 C ATOM 137 O VAL A 32 71.414 0.472 6.198 1.00 0.08 O ATOM 138 CB VAL A 32 73.014 -1.587 4.469 1.00 0.10 C ATOM 139 CG1 VAL A 32 74.230 -0.742 4.077 1.00 0.12 C ATOM 140 CG2 VAL A 32 73.285 -3.042 4.072 1.00 0.11 C ATOM 0 H VAL A 32 70.729 -1.987 6.153 1.00 0.09 H new ATOM 0 HA VAL A 32 73.659 -1.849 6.514 1.00 0.09 H new ATOM 0 HB VAL A 32 72.129 -1.211 3.956 1.00 0.10 H new ATOM 0 HG11 VAL A 32 74.389 -0.810 3.001 1.00 0.12 H new ATOM 0 HG12 VAL A 32 74.055 0.298 4.353 1.00 0.12 H new ATOM 0 HG13 VAL A 32 75.113 -1.112 4.598 1.00 0.12 H new ATOM 0 HG21 VAL A 32 73.458 -3.100 2.997 1.00 0.11 H new ATOM 0 HG22 VAL A 32 74.166 -3.405 4.601 1.00 0.11 H new ATOM 0 HG23 VAL A 32 72.424 -3.657 4.335 1.00 0.11 H new ATOM 150 N ASP A 33 73.530 0.570 6.970 1.00 0.09 N ATOM 151 CA ASP A 33 73.468 1.981 7.337 1.00 0.08 C ATOM 152 C ASP A 33 73.610 2.867 6.098 1.00 0.08 C ATOM 153 O ASP A 33 74.296 2.504 5.142 1.00 0.10 O ATOM 154 CB ASP A 33 74.588 2.297 8.334 1.00 0.11 C ATOM 155 CG ASP A 33 74.384 1.514 9.630 1.00 0.74 C ATOM 156 OD1 ASP A 33 73.243 1.259 9.981 1.00 1.59 O ATOM 157 OD2 ASP A 33 75.378 1.180 10.255 1.00 0.47 O ATOM 0 H ASP A 33 74.417 0.119 7.193 1.00 0.09 H new ATOM 0 HA ASP A 33 72.500 2.184 7.796 1.00 0.08 H new ATOM 0 HB2 ASP A 33 75.554 2.044 7.897 1.00 0.11 H new ATOM 0 HB3 ASP A 33 74.604 3.366 8.546 1.00 0.11 H new ATOM 162 N TYR A 34 72.967 4.034 6.113 1.00 0.08 N ATOM 163 CA TYR A 34 73.040 4.951 4.976 1.00 0.09 C ATOM 164 C TYR A 34 74.492 5.267 4.615 1.00 0.11 C ATOM 165 O TYR A 34 74.836 5.351 3.436 1.00 0.13 O ATOM 166 CB TYR A 34 72.288 6.247 5.311 1.00 0.10 C ATOM 167 CG TYR A 34 72.366 7.310 4.234 1.00 0.15 C ATOM 168 CD1 TYR A 34 72.276 6.955 2.884 1.00 0.19 C ATOM 169 CD2 TYR A 34 72.534 8.654 4.592 1.00 0.18 C ATOM 170 CE1 TYR A 34 72.355 7.942 1.894 1.00 0.24 C ATOM 171 CE2 TYR A 34 72.610 9.642 3.601 1.00 0.24 C ATOM 172 CZ TYR A 34 72.520 9.284 2.250 1.00 0.27 C ATOM 173 OH TYR A 34 72.601 10.249 1.266 1.00 0.32 O ATOM 0 H TYR A 34 72.396 4.364 6.891 1.00 0.08 H new ATOM 0 HA TYR A 34 72.575 4.471 4.115 1.00 0.09 H new ATOM 0 HB2 TYR A 34 71.240 6.008 5.494 1.00 0.10 H new ATOM 0 HB3 TYR A 34 72.689 6.656 6.239 1.00 0.10 H new ATOM 0 HD1 TYR A 34 72.146 5.920 2.605 1.00 0.19 H new ATOM 0 HD2 TYR A 34 72.605 8.929 5.634 1.00 0.18 H new ATOM 0 HE1 TYR A 34 72.288 7.666 0.852 1.00 0.24 H new ATOM 0 HE2 TYR A 34 72.738 10.678 3.879 1.00 0.24 H new ATOM 0 HH TYR A 34 72.511 11.137 1.671 1.00 0.32 H new ATOM 183 N SER A 35 75.348 5.409 5.623 1.00 0.13 N ATOM 184 CA SER A 35 76.751 5.727 5.373 1.00 0.16 C ATOM 185 C SER A 35 77.395 4.650 4.505 1.00 0.16 C ATOM 186 O SER A 35 78.102 4.949 3.539 1.00 0.17 O ATOM 187 CB SER A 35 77.505 5.833 6.700 1.00 0.18 C ATOM 188 OG SER A 35 76.847 6.773 7.537 1.00 1.24 O ATOM 0 H SER A 35 75.100 5.311 6.608 1.00 0.13 H new ATOM 0 HA SER A 35 76.802 6.681 4.848 1.00 0.16 H new ATOM 0 HB2 SER A 35 77.545 4.859 7.188 1.00 0.18 H new ATOM 0 HB3 SER A 35 78.535 6.144 6.523 1.00 0.18 H new ATOM 0 HG SER A 35 77.325 6.843 8.389 1.00 1.24 H new ATOM 194 N THR A 36 77.110 3.394 4.826 1.00 0.15 N ATOM 195 CA THR A 36 77.700 2.280 4.091 1.00 0.16 C ATOM 196 C THR A 36 77.230 2.292 2.639 1.00 0.15 C ATOM 197 O THR A 36 78.021 2.068 1.721 1.00 0.17 O ATOM 198 CB THR A 36 77.329 0.953 4.754 1.00 0.16 C ATOM 199 OG1 THR A 36 77.705 0.989 6.123 1.00 0.18 O ATOM 200 CG2 THR A 36 78.061 -0.195 4.054 1.00 0.18 C ATOM 0 H THR A 36 76.481 3.122 5.582 1.00 0.15 H new ATOM 0 HA THR A 36 78.784 2.390 4.107 1.00 0.16 H new ATOM 0 HB THR A 36 76.253 0.797 4.674 1.00 0.16 H new ATOM 0 HG1 THR A 36 77.466 0.140 6.550 1.00 0.18 H new ATOM 0 HG21 THR A 36 77.795 -1.139 4.529 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.773 -0.223 3.003 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.137 -0.041 4.131 1.00 0.18 H new ATOM 208 N PHE A 37 75.950 2.585 2.431 1.00 0.13 N ATOM 209 CA PHE A 37 75.406 2.636 1.078 1.00 0.14 C ATOM 210 C PHE A 37 76.152 3.662 0.228 1.00 0.16 C ATOM 211 O PHE A 37 76.501 3.381 -0.917 1.00 0.17 O ATOM 212 CB PHE A 37 73.913 2.988 1.135 1.00 0.14 C ATOM 213 CG PHE A 37 73.266 3.166 -0.222 1.00 0.17 C ATOM 214 CD1 PHE A 37 72.698 2.073 -0.886 1.00 0.33 C ATOM 215 CD2 PHE A 37 73.249 4.433 -0.819 1.00 0.17 C ATOM 216 CE1 PHE A 37 72.114 2.248 -2.146 1.00 0.37 C ATOM 217 CE2 PHE A 37 72.666 4.607 -2.078 1.00 0.18 C ATOM 218 CZ PHE A 37 72.097 3.514 -2.743 1.00 0.25 C ATOM 0 H PHE A 37 75.278 2.788 3.171 1.00 0.13 H new ATOM 0 HA PHE A 37 75.532 1.656 0.617 1.00 0.14 H new ATOM 0 HB2 PHE A 37 73.386 2.202 1.676 1.00 0.14 H new ATOM 0 HB3 PHE A 37 73.789 3.907 1.708 1.00 0.14 H new ATOM 0 HD1 PHE A 37 72.710 1.096 -0.427 1.00 0.33 H new ATOM 0 HD2 PHE A 37 73.687 5.277 -0.306 1.00 0.17 H new ATOM 0 HE1 PHE A 37 71.676 1.405 -2.659 1.00 0.37 H new ATOM 0 HE2 PHE A 37 72.655 5.584 -2.537 1.00 0.18 H new ATOM 0 HZ PHE A 37 71.646 3.648 -3.715 1.00 0.25 H new ATOM 228 N LEU A 38 76.415 4.837 0.792 1.00 0.17 N ATOM 229 CA LEU A 38 77.061 5.900 0.030 1.00 0.21 C ATOM 230 C LEU A 38 78.438 5.468 -0.453 1.00 0.23 C ATOM 231 O LEU A 38 78.805 5.717 -1.602 1.00 0.25 O ATOM 232 CB LEU A 38 77.185 7.155 0.894 1.00 0.22 C ATOM 233 CG LEU A 38 75.786 7.634 1.285 1.00 0.21 C ATOM 234 CD1 LEU A 38 75.893 8.736 2.342 1.00 0.23 C ATOM 235 CD2 LEU A 38 75.071 8.179 0.047 1.00 0.23 C ATOM 0 H LEU A 38 76.195 5.075 1.759 1.00 0.17 H new ATOM 0 HA LEU A 38 76.445 6.117 -0.843 1.00 0.21 H new ATOM 0 HB2 LEU A 38 77.772 6.940 1.787 1.00 0.22 H new ATOM 0 HB3 LEU A 38 77.711 7.937 0.347 1.00 0.22 H new ATOM 0 HG LEU A 38 75.219 6.798 1.695 1.00 0.21 H new ATOM 0 HD11 LEU A 38 74.894 9.074 2.617 1.00 0.23 H new ATOM 0 HD12 LEU A 38 76.400 8.346 3.224 1.00 0.23 H new ATOM 0 HD13 LEU A 38 76.461 9.574 1.938 1.00 0.23 H new ATOM 0 HD21 LEU A 38 74.074 8.521 0.324 1.00 0.23 H new ATOM 0 HD22 LEU A 38 75.640 9.013 -0.364 1.00 0.23 H new ATOM 0 HD23 LEU A 38 74.990 7.392 -0.702 1.00 0.23 H new ATOM 247 N GLN A 39 79.188 4.794 0.415 1.00 0.23 N ATOM 248 CA GLN A 39 80.520 4.330 0.036 1.00 0.26 C ATOM 249 C GLN A 39 80.435 3.352 -1.132 1.00 0.24 C ATOM 250 O GLN A 39 81.190 3.454 -2.099 1.00 0.28 O ATOM 251 CB GLN A 39 81.203 3.652 1.226 1.00 0.27 C ATOM 252 CG GLN A 39 82.652 3.317 0.858 1.00 0.31 C ATOM 253 CD GLN A 39 83.382 2.676 2.040 1.00 0.67 C ATOM 254 OE1 GLN A 39 82.861 2.623 3.155 1.00 1.05 O ATOM 255 NE2 GLN A 39 84.576 2.180 1.857 1.00 1.10 N ATOM 0 H GLN A 39 78.904 4.560 1.367 1.00 0.23 H new ATOM 0 HA GLN A 39 81.108 5.195 -0.270 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.180 4.309 2.095 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.666 2.743 1.498 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.667 2.639 0.005 1.00 0.31 H new ATOM 0 HG3 GLN A 39 83.173 4.225 0.553 1.00 0.31 H new ATOM 0 HE21 GLN A 39 85.010 2.222 0.935 1.00 1.10 H new ATOM 0 HE22 GLN A 39 85.075 1.750 2.636 1.00 1.10 H new ATOM 264 N GLU A 40 79.483 2.430 -1.057 1.00 0.21 N ATOM 265 CA GLU A 40 79.337 1.420 -2.100 1.00 0.21 C ATOM 266 C GLU A 40 79.002 2.065 -3.445 1.00 0.21 C ATOM 267 O GLU A 40 79.466 1.610 -4.492 1.00 0.23 O ATOM 268 CB GLU A 40 78.245 0.424 -1.708 1.00 0.18 C ATOM 269 CG GLU A 40 78.268 -0.762 -2.680 1.00 0.97 C ATOM 270 CD GLU A 40 77.154 -1.771 -2.382 1.00 1.58 C ATOM 271 OE1 GLU A 40 76.383 -1.556 -1.461 1.00 1.63 O ATOM 272 OE2 GLU A 40 77.092 -2.760 -3.094 1.00 2.35 O ATOM 0 H GLU A 40 78.808 2.360 -0.296 1.00 0.21 H new ATOM 0 HA GLU A 40 80.286 0.893 -2.204 1.00 0.21 H new ATOM 0 HB2 GLU A 40 78.404 0.076 -0.687 1.00 0.18 H new ATOM 0 HB3 GLU A 40 77.269 0.909 -1.731 1.00 0.18 H new ATOM 0 HG2 GLU A 40 78.162 -0.396 -3.701 1.00 0.97 H new ATOM 0 HG3 GLU A 40 79.235 -1.261 -2.620 1.00 0.97 H new ATOM 279 N VAL A 41 78.170 3.103 -3.412 1.00 0.20 N ATOM 280 CA VAL A 41 77.828 3.836 -4.627 1.00 0.24 C ATOM 281 C VAL A 41 79.093 4.426 -5.252 1.00 0.28 C ATOM 282 O VAL A 41 79.324 4.289 -6.451 1.00 0.31 O ATOM 283 CB VAL A 41 76.823 4.950 -4.290 1.00 0.25 C ATOM 284 CG1 VAL A 41 76.467 5.756 -5.546 1.00 0.30 C ATOM 285 CG2 VAL A 41 75.541 4.333 -3.724 1.00 0.22 C ATOM 0 H VAL A 41 77.724 3.453 -2.564 1.00 0.20 H new ATOM 0 HA VAL A 41 77.372 3.156 -5.346 1.00 0.24 H new ATOM 0 HB VAL A 41 77.280 5.612 -3.555 1.00 0.25 H new ATOM 0 HG11 VAL A 41 75.755 6.539 -5.286 1.00 0.30 H new ATOM 0 HG12 VAL A 41 77.370 6.208 -5.956 1.00 0.30 H new ATOM 0 HG13 VAL A 41 76.023 5.094 -6.289 1.00 0.30 H new ATOM 0 HG21 VAL A 41 74.831 5.125 -3.486 1.00 0.22 H new ATOM 0 HG22 VAL A 41 75.103 3.662 -4.463 1.00 0.22 H new ATOM 0 HG23 VAL A 41 75.776 3.772 -2.819 1.00 0.22 H new ATOM 295 N ASN A 42 79.921 5.056 -4.427 1.00 0.30 N ATOM 296 CA ASN A 42 81.175 5.629 -4.909 1.00 0.35 C ATOM 297 C ASN A 42 82.062 4.568 -5.566 1.00 0.36 C ATOM 298 O ASN A 42 82.793 4.861 -6.512 1.00 0.41 O ATOM 299 CB ASN A 42 81.920 6.284 -3.745 1.00 0.36 C ATOM 300 CG ASN A 42 81.101 7.449 -3.198 1.00 0.37 C ATOM 301 OD1 ASN A 42 80.846 7.518 -1.919 1.00 0.41 O flip ATOM 302 ND2 ASN A 42 80.670 8.315 -3.959 1.00 0.33 N flip ATOM 0 H ASN A 42 79.750 5.183 -3.429 1.00 0.30 H new ATOM 0 HA ASN A 42 80.938 6.378 -5.664 1.00 0.35 H new ATOM 0 HB2 ASN A 42 82.099 5.552 -2.958 1.00 0.36 H new ATOM 0 HB3 ASN A 42 82.895 6.638 -4.079 1.00 0.36 H new ATOM 0 HD21 ASN A 42 80.869 8.261 -4.958 1.00 0.33 H new ATOM 0 HD22 ASN A 42 80.114 9.087 -3.591 1.00 0.33 H new ATOM 309 N ASN A 43 81.995 3.339 -5.061 1.00 0.33 N ATOM 310 CA ASN A 43 82.777 2.236 -5.625 1.00 0.35 C ATOM 311 C ASN A 43 82.109 1.576 -6.841 1.00 0.33 C ATOM 312 O ASN A 43 82.604 0.564 -7.333 1.00 0.34 O ATOM 313 CB ASN A 43 83.026 1.178 -4.549 1.00 0.33 C ATOM 314 CG ASN A 43 83.842 1.774 -3.407 1.00 0.36 C ATOM 315 OD1 ASN A 43 84.642 2.683 -3.624 1.00 0.40 O ATOM 316 ND2 ASN A 43 83.683 1.316 -2.195 1.00 0.35 N ATOM 0 H ASN A 43 81.411 3.080 -4.266 1.00 0.33 H new ATOM 0 HA ASN A 43 83.717 2.666 -5.971 1.00 0.35 H new ATOM 0 HB2 ASN A 43 82.075 0.803 -4.170 1.00 0.33 H new ATOM 0 HB3 ASN A 43 83.555 0.328 -4.979 1.00 0.33 H new ATOM 0 HD21 ASN A 43 84.223 1.712 -1.425 1.00 0.35 H new ATOM 0 HD22 ASN A 43 83.019 0.562 -2.018 1.00 0.35 H new ATOM 323 N ASP A 44 80.994 2.126 -7.324 1.00 0.31 N ATOM 324 CA ASP A 44 80.296 1.575 -8.484 1.00 0.30 C ATOM 325 C ASP A 44 80.040 0.074 -8.331 1.00 0.26 C ATOM 326 O ASP A 44 80.091 -0.678 -9.305 1.00 0.27 O ATOM 327 CB ASP A 44 81.119 1.837 -9.748 1.00 0.36 C ATOM 328 CG ASP A 44 80.250 1.655 -10.989 1.00 0.37 C ATOM 329 OD1 ASP A 44 79.652 2.629 -11.415 1.00 0.74 O ATOM 330 OD2 ASP A 44 80.196 0.546 -11.495 1.00 0.68 O ATOM 0 H ASP A 44 80.554 2.956 -6.927 1.00 0.31 H new ATOM 0 HA ASP A 44 79.328 2.069 -8.562 1.00 0.30 H new ATOM 0 HB2 ASP A 44 81.524 2.849 -9.724 1.00 0.36 H new ATOM 0 HB3 ASP A 44 81.968 1.154 -9.786 1.00 0.36 H new ATOM 335 N GLN A 45 79.764 -0.360 -7.104 1.00 0.23 N ATOM 336 CA GLN A 45 79.418 -1.763 -6.862 1.00 0.22 C ATOM 337 C GLN A 45 77.901 -2.007 -6.848 1.00 0.17 C ATOM 338 O GLN A 45 77.457 -3.152 -6.972 1.00 0.17 O ATOM 339 CB GLN A 45 80.030 -2.221 -5.536 1.00 0.26 C ATOM 340 CG GLN A 45 81.558 -2.095 -5.595 1.00 0.32 C ATOM 341 CD GLN A 45 82.128 -2.975 -6.705 1.00 0.62 C ATOM 342 OE1 GLN A 45 81.863 -4.175 -6.742 1.00 0.99 O ATOM 343 NE2 GLN A 45 82.885 -2.443 -7.625 1.00 0.66 N ATOM 0 H GLN A 45 79.772 0.228 -6.271 1.00 0.23 H new ATOM 0 HA GLN A 45 79.827 -2.344 -7.689 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.638 -1.618 -4.717 1.00 0.26 H new ATOM 0 HB3 GLN A 45 79.749 -3.255 -5.334 1.00 0.26 H new ATOM 0 HG2 GLN A 45 81.836 -1.055 -5.769 1.00 0.32 H new ATOM 0 HG3 GLN A 45 81.989 -2.384 -4.637 1.00 0.32 H new ATOM 0 HE21 GLN A 45 83.104 -1.447 -7.593 1.00 0.66 H new ATOM 0 HE22 GLN A 45 83.258 -3.023 -8.377 1.00 0.66 H new ATOM 352 N VAL A 46 77.104 -0.949 -6.694 1.00 0.16 N ATOM 353 CA VAL A 46 75.650 -1.088 -6.665 1.00 0.14 C ATOM 354 C VAL A 46 75.104 -1.215 -8.085 1.00 0.14 C ATOM 355 O VAL A 46 75.581 -0.552 -9.005 1.00 0.16 O ATOM 356 CB VAL A 46 75.011 0.120 -5.968 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.498 -0.089 -5.849 1.00 0.19 C ATOM 358 CG2 VAL A 46 75.600 0.285 -4.565 1.00 0.18 C ATOM 0 H VAL A 46 77.440 0.008 -6.588 1.00 0.16 H new ATOM 0 HA VAL A 46 75.401 -1.990 -6.106 1.00 0.14 H new ATOM 0 HB VAL A 46 75.215 1.013 -6.559 1.00 0.17 H new ATOM 0 HG11 VAL A 46 73.050 0.772 -5.353 1.00 0.19 H new ATOM 0 HG12 VAL A 46 73.067 -0.200 -6.844 1.00 0.19 H new ATOM 0 HG13 VAL A 46 73.300 -0.988 -5.265 1.00 0.19 H new ATOM 0 HG21 VAL A 46 75.141 1.145 -4.077 1.00 0.18 H new ATOM 0 HG22 VAL A 46 75.403 -0.613 -3.980 1.00 0.18 H new ATOM 0 HG23 VAL A 46 76.676 0.441 -4.638 1.00 0.18 H new ATOM 368 N ARG A 47 74.101 -2.071 -8.253 1.00 0.13 N ATOM 369 CA ARG A 47 73.503 -2.287 -9.566 1.00 0.15 C ATOM 370 C ARG A 47 72.197 -1.507 -9.700 1.00 0.15 C ATOM 371 O ARG A 47 71.985 -0.783 -10.673 1.00 0.17 O ATOM 372 CB ARG A 47 73.211 -3.780 -9.738 1.00 0.15 C ATOM 373 CG ARG A 47 72.707 -4.057 -11.155 1.00 0.17 C ATOM 374 CD ARG A 47 72.404 -5.551 -11.297 1.00 0.18 C ATOM 375 NE ARG A 47 71.221 -5.902 -10.504 1.00 0.21 N ATOM 376 CZ ARG A 47 70.533 -7.041 -10.668 1.00 1.11 C ATOM 377 NH1 ARG A 47 70.870 -7.941 -11.561 1.00 2.22 N ATOM 378 NH2 ARG A 47 69.492 -7.262 -9.913 1.00 1.07 N ATOM 0 H ARG A 47 73.687 -2.623 -7.502 1.00 0.13 H new ATOM 0 HA ARG A 47 74.198 -1.941 -10.331 1.00 0.15 H new ATOM 0 HB2 ARG A 47 74.114 -4.360 -9.545 1.00 0.15 H new ATOM 0 HB3 ARG A 47 72.465 -4.099 -9.010 1.00 0.15 H new ATOM 0 HG2 ARG A 47 71.810 -3.471 -11.356 1.00 0.17 H new ATOM 0 HG3 ARG A 47 73.456 -3.754 -11.886 1.00 0.17 H new ATOM 0 HD2 ARG A 47 72.235 -5.798 -12.345 1.00 0.18 H new ATOM 0 HD3 ARG A 47 73.261 -6.137 -10.965 1.00 0.18 H new ATOM 0 HE ARG A 47 70.905 -5.245 -9.790 1.00 0.21 H new ATOM 0 HH11 ARG A 47 71.681 -7.786 -12.160 1.00 2.22 H new ATOM 0 HH12 ARG A 47 70.321 -8.796 -11.656 1.00 2.22 H new ATOM 0 HH21 ARG A 47 69.214 -6.574 -9.213 1.00 1.07 H new ATOM 0 HH22 ARG A 47 68.956 -8.123 -10.023 1.00 1.07 H new ATOM 392 N GLU A 48 71.340 -1.645 -8.694 1.00 0.14 N ATOM 393 CA GLU A 48 70.015 -1.037 -8.739 1.00 0.14 C ATOM 394 C GLU A 48 69.602 -0.502 -7.371 1.00 0.13 C ATOM 395 O GLU A 48 69.893 -1.116 -6.346 1.00 0.18 O ATOM 396 CB GLU A 48 68.998 -2.083 -9.204 1.00 0.16 C ATOM 397 CG GLU A 48 67.623 -1.430 -9.387 1.00 0.17 C ATOM 398 CD GLU A 48 66.548 -2.452 -9.775 1.00 0.61 C ATOM 399 OE1 GLU A 48 66.850 -3.634 -9.868 1.00 1.08 O ATOM 400 OE2 GLU A 48 65.422 -2.032 -9.978 1.00 0.59 O ATOM 0 H GLU A 48 71.537 -2.170 -7.842 1.00 0.14 H new ATOM 0 HA GLU A 48 70.045 -0.200 -9.436 1.00 0.14 H new ATOM 0 HB2 GLU A 48 69.326 -2.529 -10.143 1.00 0.16 H new ATOM 0 HB3 GLU A 48 68.933 -2.889 -8.473 1.00 0.16 H new ATOM 0 HG2 GLU A 48 67.332 -0.932 -8.462 1.00 0.17 H new ATOM 0 HG3 GLU A 48 67.687 -0.661 -10.157 1.00 0.17 H new ATOM 407 N ALA A 49 68.893 0.624 -7.368 1.00 0.12 N ATOM 408 CA ALA A 49 68.361 1.184 -6.129 1.00 0.13 C ATOM 409 C ALA A 49 66.898 1.592 -6.305 1.00 0.11 C ATOM 410 O ALA A 49 66.572 2.470 -7.104 1.00 0.12 O ATOM 411 CB ALA A 49 69.185 2.402 -5.709 1.00 0.18 C ATOM 0 H ALA A 49 68.674 1.164 -8.205 1.00 0.12 H new ATOM 0 HA ALA A 49 68.421 0.420 -5.354 1.00 0.13 H new ATOM 0 HB1 ALA A 49 68.781 2.813 -4.784 1.00 0.18 H new ATOM 0 HB2 ALA A 49 70.221 2.103 -5.551 1.00 0.18 H new ATOM 0 HB3 ALA A 49 69.141 3.159 -6.492 1.00 0.18 H new ATOM 417 N ARG A 50 66.018 0.921 -5.570 1.00 0.12 N ATOM 418 CA ARG A 50 64.601 1.266 -5.569 1.00 0.13 C ATOM 419 C ARG A 50 64.294 2.220 -4.418 1.00 0.16 C ATOM 420 O ARG A 50 64.705 1.977 -3.285 1.00 0.21 O ATOM 421 CB ARG A 50 63.766 -0.005 -5.398 1.00 0.16 C ATOM 422 CG ARG A 50 63.954 -0.917 -6.612 1.00 0.16 C ATOM 423 CD ARG A 50 63.044 -2.139 -6.477 1.00 0.22 C ATOM 424 NE ARG A 50 63.356 -3.122 -7.519 1.00 1.33 N ATOM 425 CZ ARG A 50 62.922 -4.392 -7.491 1.00 2.05 C ATOM 426 NH1 ARG A 50 62.175 -4.855 -6.519 1.00 2.44 N ATOM 427 NH2 ARG A 50 63.256 -5.193 -8.466 1.00 2.82 N ATOM 0 H ARG A 50 66.261 0.135 -4.967 1.00 0.12 H new ATOM 0 HA ARG A 50 64.355 1.749 -6.515 1.00 0.13 H new ATOM 0 HB2 ARG A 50 64.065 -0.528 -4.489 1.00 0.16 H new ATOM 0 HB3 ARG A 50 62.713 0.253 -5.285 1.00 0.16 H new ATOM 0 HG2 ARG A 50 63.719 -0.375 -7.528 1.00 0.16 H new ATOM 0 HG3 ARG A 50 64.995 -1.232 -6.686 1.00 0.16 H new ATOM 0 HD2 ARG A 50 63.172 -2.589 -5.493 1.00 0.22 H new ATOM 0 HD3 ARG A 50 62.000 -1.834 -6.555 1.00 0.22 H new ATOM 0 HE ARG A 50 63.933 -2.825 -8.306 1.00 1.33 H new ATOM 0 HH11 ARG A 50 61.904 -4.244 -5.749 1.00 2.44 H new ATOM 0 HH12 ARG A 50 61.865 -5.827 -6.533 1.00 2.44 H new ATOM 0 HH21 ARG A 50 63.837 -4.850 -9.231 1.00 2.82 H new ATOM 0 HH22 ARG A 50 62.936 -6.162 -8.463 1.00 2.82 H new ATOM 441 N ILE A 51 63.516 3.262 -4.695 1.00 0.16 N ATOM 442 CA ILE A 51 63.157 4.239 -3.670 1.00 0.18 C ATOM 443 C ILE A 51 61.685 4.100 -3.279 1.00 0.13 C ATOM 444 O ILE A 51 60.795 4.171 -4.128 1.00 0.19 O ATOM 445 CB ILE A 51 63.423 5.657 -4.203 1.00 0.30 C ATOM 446 CG1 ILE A 51 64.900 5.790 -4.592 1.00 0.41 C ATOM 447 CG2 ILE A 51 63.093 6.703 -3.134 1.00 0.34 C ATOM 448 CD1 ILE A 51 65.123 7.117 -5.321 1.00 0.56 C ATOM 0 H ILE A 51 63.123 3.452 -5.617 1.00 0.16 H new ATOM 0 HA ILE A 51 63.765 4.058 -2.784 1.00 0.18 H new ATOM 0 HB ILE A 51 62.790 5.825 -5.074 1.00 0.30 H new ATOM 0 HG12 ILE A 51 65.526 5.743 -3.701 1.00 0.41 H new ATOM 0 HG13 ILE A 51 65.194 4.958 -5.232 1.00 0.41 H new ATOM 0 HG21 ILE A 51 63.287 7.700 -3.529 1.00 0.34 H new ATOM 0 HG22 ILE A 51 62.042 6.621 -2.857 1.00 0.34 H new ATOM 0 HG23 ILE A 51 63.715 6.533 -2.255 1.00 0.34 H new ATOM 0 HD11 ILE A 51 66.174 7.209 -5.596 1.00 0.56 H new ATOM 0 HD12 ILE A 51 64.508 7.146 -6.221 1.00 0.56 H new ATOM 0 HD13 ILE A 51 64.846 7.943 -4.666 1.00 0.56 H new ATOM 460 N ASN A 52 61.447 3.953 -1.979 1.00 0.17 N ATOM 461 CA ASN A 52 60.094 3.909 -1.441 1.00 0.18 C ATOM 462 C ASN A 52 60.049 4.677 -0.124 1.00 0.16 C ATOM 463 O ASN A 52 60.408 4.147 0.928 1.00 0.16 O ATOM 464 CB ASN A 52 59.669 2.458 -1.204 1.00 0.25 C ATOM 465 CG ASN A 52 58.206 2.403 -0.778 1.00 0.34 C ATOM 466 OD1 ASN A 52 57.909 2.288 0.411 1.00 0.88 O ATOM 467 ND2 ASN A 52 57.270 2.472 -1.683 1.00 0.76 N ATOM 0 H ASN A 52 62.180 3.862 -1.276 1.00 0.17 H new ATOM 0 HA ASN A 52 59.409 4.365 -2.156 1.00 0.18 H new ATOM 0 HB2 ASN A 52 59.813 1.876 -2.114 1.00 0.25 H new ATOM 0 HB3 ASN A 52 60.297 2.008 -0.435 1.00 0.25 H new ATOM 0 HD21 ASN A 52 56.289 2.431 -1.406 1.00 0.76 H new ATOM 0 HD22 ASN A 52 57.519 2.567 -2.668 1.00 0.76 H new ATOM 474 N GLY A 53 59.646 5.941 -0.190 1.00 0.17 N ATOM 475 CA GLY A 53 59.608 6.777 1.004 1.00 0.19 C ATOM 476 C GLY A 53 61.007 6.944 1.590 1.00 0.19 C ATOM 477 O GLY A 53 61.955 7.269 0.875 1.00 0.21 O ATOM 0 H GLY A 53 59.344 6.405 -1.047 1.00 0.17 H new ATOM 0 HA2 GLY A 53 59.193 7.754 0.757 1.00 0.19 H new ATOM 0 HA3 GLY A 53 58.948 6.329 1.747 1.00 0.19 H new ATOM 481 N ARG A 54 61.127 6.720 2.895 1.00 0.19 N ATOM 482 CA ARG A 54 62.417 6.841 3.575 1.00 0.20 C ATOM 483 C ARG A 54 63.321 5.620 3.350 1.00 0.20 C ATOM 484 O ARG A 54 64.518 5.686 3.633 1.00 0.21 O ATOM 485 CB ARG A 54 62.195 7.035 5.077 1.00 0.22 C ATOM 486 CG ARG A 54 63.485 7.531 5.737 1.00 0.24 C ATOM 487 CD ARG A 54 63.227 7.799 7.220 1.00 0.27 C ATOM 488 NE ARG A 54 63.003 6.536 7.929 1.00 0.25 N ATOM 489 CZ ARG A 54 62.266 6.434 9.046 1.00 0.38 C ATOM 490 NH1 ARG A 54 61.685 7.472 9.598 1.00 0.62 N ATOM 491 NH2 ARG A 54 62.124 5.262 9.602 1.00 0.41 N ATOM 0 H ARG A 54 60.352 6.455 3.503 1.00 0.19 H new ATOM 0 HA ARG A 54 62.922 7.707 3.148 1.00 0.20 H new ATOM 0 HB2 ARG A 54 61.392 7.753 5.245 1.00 0.22 H new ATOM 0 HB3 ARG A 54 61.882 6.095 5.531 1.00 0.22 H new ATOM 0 HG2 ARG A 54 64.274 6.788 5.622 1.00 0.24 H new ATOM 0 HG3 ARG A 54 63.831 8.441 5.247 1.00 0.24 H new ATOM 0 HD2 ARG A 54 64.077 8.324 7.656 1.00 0.27 H new ATOM 0 HD3 ARG A 54 62.359 8.448 7.334 1.00 0.27 H new ATOM 0 HE ARG A 54 63.430 5.689 7.553 1.00 0.25 H new ATOM 0 HH11 ARG A 54 61.786 8.396 9.178 1.00 0.62 H new ATOM 0 HH12 ARG A 54 61.132 7.355 10.447 1.00 0.62 H new ATOM 0 HH21 ARG A 54 62.569 4.443 9.187 1.00 0.41 H new ATOM 0 HH22 ARG A 54 61.568 5.164 10.451 1.00 0.41 H new ATOM 505 N GLU A 55 62.767 4.506 2.866 1.00 0.21 N ATOM 506 CA GLU A 55 63.541 3.276 2.730 1.00 0.23 C ATOM 507 C GLU A 55 63.955 3.049 1.281 1.00 0.21 C ATOM 508 O GLU A 55 63.192 3.318 0.356 1.00 0.23 O ATOM 509 CB GLU A 55 62.703 2.089 3.207 1.00 0.25 C ATOM 510 CG GLU A 55 62.347 2.274 4.687 1.00 0.93 C ATOM 511 CD GLU A 55 61.576 1.070 5.241 1.00 1.83 C ATOM 512 OE1 GLU A 55 61.167 0.215 4.469 1.00 2.29 O ATOM 513 OE2 GLU A 55 61.403 1.023 6.448 1.00 2.44 O ATOM 0 H GLU A 55 61.795 4.433 2.565 1.00 0.21 H new ATOM 0 HA GLU A 55 64.441 3.368 3.339 1.00 0.23 H new ATOM 0 HB2 GLU A 55 61.794 2.009 2.611 1.00 0.25 H new ATOM 0 HB3 GLU A 55 63.257 1.161 3.069 1.00 0.25 H new ATOM 0 HG2 GLU A 55 63.260 2.419 5.265 1.00 0.93 H new ATOM 0 HG3 GLU A 55 61.747 3.176 4.807 1.00 0.93 H new ATOM 520 N ILE A 56 65.178 2.566 1.089 1.00 0.18 N ATOM 521 CA ILE A 56 65.655 2.190 -0.238 1.00 0.17 C ATOM 522 C ILE A 56 66.008 0.706 -0.239 1.00 0.15 C ATOM 523 O ILE A 56 66.718 0.236 0.647 1.00 0.13 O ATOM 524 CB ILE A 56 66.898 3.009 -0.611 1.00 0.18 C ATOM 525 CG1 ILE A 56 66.579 4.504 -0.527 1.00 0.20 C ATOM 526 CG2 ILE A 56 67.337 2.672 -2.039 1.00 0.18 C ATOM 527 CD1 ILE A 56 67.865 5.316 -0.695 1.00 0.22 C ATOM 0 H ILE A 56 65.858 2.425 1.836 1.00 0.18 H new ATOM 0 HA ILE A 56 64.871 2.389 -0.968 1.00 0.17 H new ATOM 0 HB ILE A 56 67.701 2.765 0.085 1.00 0.18 H new ATOM 0 HG12 ILE A 56 65.862 4.777 -1.301 1.00 0.20 H new ATOM 0 HG13 ILE A 56 66.115 4.733 0.432 1.00 0.20 H new ATOM 0 HG21 ILE A 56 68.220 3.257 -2.296 1.00 0.18 H new ATOM 0 HG22 ILE A 56 67.574 1.610 -2.106 1.00 0.18 H new ATOM 0 HG23 ILE A 56 66.530 2.908 -2.733 1.00 0.18 H new ATOM 0 HD11 ILE A 56 67.634 6.380 -0.635 1.00 0.22 H new ATOM 0 HD12 ILE A 56 68.568 5.052 0.095 1.00 0.22 H new ATOM 0 HD13 ILE A 56 68.310 5.096 -1.665 1.00 0.22 H new ATOM 539 N ASN A 57 65.516 -0.030 -1.232 1.00 0.16 N ATOM 540 CA ASN A 57 65.876 -1.439 -1.373 1.00 0.16 C ATOM 541 C ASN A 57 66.907 -1.574 -2.484 1.00 0.15 C ATOM 542 O ASN A 57 66.705 -1.071 -3.585 1.00 0.17 O ATOM 543 CB ASN A 57 64.636 -2.275 -1.696 1.00 0.19 C ATOM 544 CG ASN A 57 63.788 -2.445 -0.440 1.00 0.24 C ATOM 545 OD1 ASN A 57 64.165 -3.188 0.467 1.00 1.23 O ATOM 546 ND2 ASN A 57 62.662 -1.796 -0.328 1.00 0.96 N ATOM 0 H ASN A 57 64.874 0.320 -1.944 1.00 0.16 H new ATOM 0 HA ASN A 57 66.297 -1.804 -0.436 1.00 0.16 H new ATOM 0 HB2 ASN A 57 64.052 -1.789 -2.478 1.00 0.19 H new ATOM 0 HB3 ASN A 57 64.934 -3.251 -2.080 1.00 0.19 H new ATOM 0 HD21 ASN A 57 62.093 -1.904 0.511 1.00 0.96 H new ATOM 0 HD22 ASN A 57 62.351 -1.181 -1.080 1.00 0.96 H new ATOM 553 N VAL A 58 68.012 -2.254 -2.200 1.00 0.14 N ATOM 554 CA VAL A 58 69.171 -2.218 -3.093 1.00 0.13 C ATOM 555 C VAL A 58 69.590 -3.623 -3.515 1.00 0.11 C ATOM 556 O VAL A 58 69.582 -4.555 -2.712 1.00 0.10 O ATOM 557 CB VAL A 58 70.349 -1.533 -2.387 1.00 0.14 C ATOM 558 CG1 VAL A 58 71.517 -1.367 -3.366 1.00 0.15 C ATOM 559 CG2 VAL A 58 69.940 -0.151 -1.862 1.00 0.16 C ATOM 0 H VAL A 58 68.133 -2.832 -1.368 1.00 0.14 H new ATOM 0 HA VAL A 58 68.890 -1.657 -3.984 1.00 0.13 H new ATOM 0 HB VAL A 58 70.651 -2.158 -1.547 1.00 0.14 H new ATOM 0 HG11 VAL A 58 72.350 -0.880 -2.859 1.00 0.15 H new ATOM 0 HG12 VAL A 58 71.833 -2.347 -3.725 1.00 0.15 H new ATOM 0 HG13 VAL A 58 71.199 -0.756 -4.211 1.00 0.15 H new ATOM 0 HG21 VAL A 58 70.791 0.316 -1.365 1.00 0.16 H new ATOM 0 HG22 VAL A 58 69.618 0.474 -2.695 1.00 0.16 H new ATOM 0 HG23 VAL A 58 69.120 -0.260 -1.152 1.00 0.16 H new ATOM 569 N THR A 59 69.973 -3.749 -4.784 1.00 0.12 N ATOM 570 CA THR A 59 70.549 -4.988 -5.295 1.00 0.12 C ATOM 571 C THR A 59 71.987 -4.735 -5.744 1.00 0.14 C ATOM 572 O THR A 59 72.254 -3.794 -6.491 1.00 0.15 O ATOM 573 CB THR A 59 69.718 -5.494 -6.481 1.00 0.15 C ATOM 574 OG1 THR A 59 68.373 -5.680 -6.064 1.00 0.15 O ATOM 575 CG2 THR A 59 70.280 -6.822 -7.000 1.00 0.17 C ATOM 0 H THR A 59 69.894 -3.005 -5.478 1.00 0.12 H new ATOM 0 HA THR A 59 70.544 -5.741 -4.507 1.00 0.12 H new ATOM 0 HB THR A 59 69.760 -4.758 -7.284 1.00 0.15 H new ATOM 0 HG1 THR A 59 67.838 -6.002 -6.819 1.00 0.15 H new ATOM 0 HG21 THR A 59 69.679 -7.167 -7.841 1.00 0.17 H new ATOM 0 HG22 THR A 59 71.311 -6.679 -7.325 1.00 0.17 H new ATOM 0 HG23 THR A 59 70.250 -7.566 -6.204 1.00 0.17 H new ATOM 583 N LYS A 60 72.910 -5.565 -5.273 1.00 0.15 N ATOM 584 CA LYS A 60 74.308 -5.451 -5.671 1.00 0.20 C ATOM 585 C LYS A 60 74.566 -6.204 -6.970 1.00 0.24 C ATOM 586 O LYS A 60 73.787 -7.072 -7.360 1.00 0.24 O ATOM 587 CB LYS A 60 75.211 -6.029 -4.581 1.00 0.21 C ATOM 588 CG LYS A 60 75.092 -5.190 -3.309 1.00 0.87 C ATOM 589 CD LYS A 60 76.084 -5.713 -2.268 1.00 0.89 C ATOM 590 CE LYS A 60 75.897 -4.961 -0.950 1.00 1.70 C ATOM 591 NZ LYS A 60 77.124 -5.110 -0.116 1.00 1.91 N ATOM 0 H LYS A 60 72.717 -6.322 -4.617 1.00 0.15 H new ATOM 0 HA LYS A 60 74.529 -4.394 -5.819 1.00 0.20 H new ATOM 0 HB2 LYS A 60 74.930 -7.062 -4.374 1.00 0.21 H new ATOM 0 HB3 LYS A 60 76.246 -6.042 -4.923 1.00 0.21 H new ATOM 0 HG2 LYS A 60 75.296 -4.142 -3.529 1.00 0.87 H new ATOM 0 HG3 LYS A 60 74.076 -5.241 -2.919 1.00 0.87 H new ATOM 0 HD2 LYS A 60 75.932 -6.781 -2.112 1.00 0.89 H new ATOM 0 HD3 LYS A 60 77.105 -5.585 -2.629 1.00 0.89 H new ATOM 0 HE2 LYS A 60 75.702 -3.906 -1.145 1.00 1.70 H new ATOM 0 HE3 LYS A 60 75.031 -5.352 -0.415 1.00 1.70 H new ATOM 0 HZ1 LYS A 60 76.998 -4.599 0.781 1.00 1.91 H new ATOM 0 HZ2 LYS A 60 77.290 -6.118 0.080 1.00 1.91 H new ATOM 0 HZ3 LYS A 60 77.941 -4.717 -0.627 1.00 1.91 H new ATOM 605 N LYS A 61 75.683 -5.896 -7.621 1.00 0.31 N ATOM 606 CA LYS A 61 76.054 -6.596 -8.850 1.00 0.36 C ATOM 607 C LYS A 61 76.050 -8.121 -8.667 1.00 0.33 C ATOM 608 O LYS A 61 75.789 -8.862 -9.616 1.00 0.35 O ATOM 609 CB LYS A 61 77.432 -6.102 -9.325 1.00 0.46 C ATOM 610 CG LYS A 61 78.542 -6.563 -8.372 1.00 1.13 C ATOM 611 CD LYS A 61 79.879 -5.952 -8.796 1.00 1.08 C ATOM 612 CE LYS A 61 81.027 -6.666 -8.075 1.00 2.17 C ATOM 613 NZ LYS A 61 80.819 -6.602 -6.600 1.00 2.43 N ATOM 0 H LYS A 61 76.341 -5.176 -7.324 1.00 0.31 H new ATOM 0 HA LYS A 61 75.307 -6.370 -9.611 1.00 0.36 H new ATOM 0 HB2 LYS A 61 77.631 -6.478 -10.329 1.00 0.46 H new ATOM 0 HB3 LYS A 61 77.430 -5.014 -9.387 1.00 0.46 H new ATOM 0 HG2 LYS A 61 78.304 -6.265 -7.351 1.00 1.13 H new ATOM 0 HG3 LYS A 61 78.611 -7.651 -8.379 1.00 1.13 H new ATOM 0 HD2 LYS A 61 80.004 -6.041 -9.875 1.00 1.08 H new ATOM 0 HD3 LYS A 61 79.895 -4.888 -8.560 1.00 1.08 H new ATOM 0 HE2 LYS A 61 81.080 -7.706 -8.399 1.00 2.17 H new ATOM 0 HE3 LYS A 61 81.977 -6.201 -8.337 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 81.545 -7.174 -6.122 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 80.891 -5.614 -6.282 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 79.876 -6.973 -6.366 1.00 2.43 H new ATOM 627 N ASP A 62 76.338 -8.584 -7.452 1.00 0.29 N ATOM 628 CA ASP A 62 76.462 -10.019 -7.193 1.00 0.30 C ATOM 629 C ASP A 62 75.137 -10.667 -6.772 1.00 0.28 C ATOM 630 O ASP A 62 75.137 -11.753 -6.191 1.00 0.30 O ATOM 631 CB ASP A 62 77.508 -10.248 -6.100 1.00 0.32 C ATOM 632 CG ASP A 62 77.867 -11.728 -6.015 1.00 0.40 C ATOM 633 OD1 ASP A 62 78.676 -12.167 -6.816 1.00 0.81 O ATOM 634 OD2 ASP A 62 77.330 -12.399 -5.150 1.00 1.11 O ATOM 0 H ASP A 62 76.489 -7.992 -6.636 1.00 0.29 H new ATOM 0 HA ASP A 62 76.767 -10.489 -8.128 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.402 -9.661 -6.313 1.00 0.32 H new ATOM 0 HB3 ASP A 62 77.123 -9.904 -5.140 1.00 0.32 H new ATOM 639 N SER A 63 74.006 -10.017 -7.059 1.00 0.26 N ATOM 640 CA SER A 63 72.681 -10.566 -6.741 1.00 0.28 C ATOM 641 C SER A 63 72.362 -10.559 -5.240 1.00 0.24 C ATOM 642 O SER A 63 71.252 -10.929 -4.855 1.00 0.26 O ATOM 643 CB SER A 63 72.536 -11.994 -7.279 1.00 0.36 C ATOM 644 OG SER A 63 73.076 -12.055 -8.591 1.00 1.09 O ATOM 0 H SER A 63 73.980 -9.104 -7.514 1.00 0.26 H new ATOM 0 HA SER A 63 71.966 -9.906 -7.231 1.00 0.28 H new ATOM 0 HB2 SER A 63 73.055 -12.696 -6.626 1.00 0.36 H new ATOM 0 HB3 SER A 63 71.486 -12.286 -7.291 1.00 0.36 H new ATOM 0 HG SER A 63 72.987 -12.967 -8.939 1.00 1.09 H new ATOM 650 N ASN A 64 73.308 -10.150 -4.391 1.00 0.20 N ATOM 651 CA ASN A 64 73.042 -10.055 -2.958 1.00 0.18 C ATOM 652 C ASN A 64 72.103 -8.885 -2.690 1.00 0.15 C ATOM 653 O ASN A 64 72.264 -7.815 -3.274 1.00 0.14 O ATOM 654 CB ASN A 64 74.353 -9.847 -2.196 1.00 0.19 C ATOM 655 CG ASN A 64 75.280 -11.037 -2.416 1.00 0.24 C ATOM 656 OD1 ASN A 64 74.814 -12.157 -2.623 1.00 0.85 O ATOM 657 ND2 ASN A 64 76.572 -10.861 -2.385 1.00 0.87 N ATOM 0 H ASN A 64 74.253 -9.883 -4.668 1.00 0.20 H new ATOM 0 HA ASN A 64 72.576 -10.980 -2.619 1.00 0.18 H new ATOM 0 HB2 ASN A 64 74.838 -8.931 -2.534 1.00 0.19 H new ATOM 0 HB3 ASN A 64 74.149 -9.726 -1.132 1.00 0.19 H new ATOM 0 HD21 ASN A 64 77.198 -11.653 -2.533 1.00 0.87 H new ATOM 0 HD22 ASN A 64 76.956 -9.932 -2.213 1.00 0.87 H new ATOM 664 N ARG A 65 71.118 -9.085 -1.816 1.00 0.15 N ATOM 665 CA ARG A 65 70.124 -8.047 -1.553 1.00 0.14 C ATOM 666 C ARG A 65 70.249 -7.495 -0.136 1.00 0.12 C ATOM 667 O ARG A 65 70.554 -8.219 0.815 1.00 0.14 O ATOM 668 CB ARG A 65 68.719 -8.626 -1.740 1.00 0.18 C ATOM 669 CG ARG A 65 68.533 -9.059 -3.195 1.00 0.21 C ATOM 670 CD ARG A 65 67.115 -9.599 -3.391 1.00 0.51 C ATOM 671 NE ARG A 65 66.140 -8.509 -3.283 1.00 1.47 N ATOM 672 CZ ARG A 65 64.812 -8.700 -3.310 1.00 2.00 C ATOM 673 NH1 ARG A 65 64.278 -9.890 -3.436 1.00 2.52 N ATOM 674 NH2 ARG A 65 64.024 -7.664 -3.208 1.00 2.51 N ATOM 0 H ARG A 65 70.988 -9.945 -1.284 1.00 0.15 H new ATOM 0 HA ARG A 65 70.298 -7.232 -2.256 1.00 0.14 H new ATOM 0 HB2 ARG A 65 68.574 -9.477 -1.075 1.00 0.18 H new ATOM 0 HB3 ARG A 65 67.969 -7.881 -1.473 1.00 0.18 H new ATOM 0 HG2 ARG A 65 68.707 -8.214 -3.862 1.00 0.21 H new ATOM 0 HG3 ARG A 65 69.264 -9.825 -3.454 1.00 0.21 H new ATOM 0 HD2 ARG A 65 67.031 -10.076 -4.367 1.00 0.51 H new ATOM 0 HD3 ARG A 65 66.902 -10.363 -2.643 1.00 0.51 H new ATOM 0 HE ARG A 65 66.489 -7.556 -3.182 1.00 1.47 H new ATOM 0 HH11 ARG A 65 64.877 -10.712 -3.518 1.00 2.52 H new ATOM 0 HH12 ARG A 65 63.264 -9.995 -3.452 1.00 2.52 H new ATOM 0 HH21 ARG A 65 64.421 -6.729 -3.110 1.00 2.51 H new ATOM 0 HH22 ARG A 65 63.012 -7.789 -3.227 1.00 2.51 H new ATOM 688 N TYR A 66 69.984 -6.201 0.001 1.00 0.10 N ATOM 689 CA TYR A 66 69.992 -5.567 1.313 1.00 0.10 C ATOM 690 C TYR A 66 69.050 -4.367 1.342 1.00 0.09 C ATOM 691 O TYR A 66 68.630 -3.870 0.298 1.00 0.10 O ATOM 692 CB TYR A 66 71.418 -5.147 1.690 1.00 0.10 C ATOM 693 CG TYR A 66 71.964 -3.970 0.910 1.00 0.09 C ATOM 694 CD1 TYR A 66 71.739 -2.665 1.364 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.718 -4.187 -0.249 1.00 0.12 C ATOM 696 CE1 TYR A 66 72.268 -1.577 0.660 1.00 0.12 C ATOM 697 CE2 TYR A 66 73.243 -3.098 -0.956 1.00 0.15 C ATOM 698 CZ TYR A 66 73.020 -1.794 -0.500 1.00 0.15 C ATOM 699 OH TYR A 66 73.540 -0.722 -1.195 1.00 0.19 O ATOM 0 H TYR A 66 69.763 -5.575 -0.773 1.00 0.10 H new ATOM 0 HA TYR A 66 69.637 -6.290 2.048 1.00 0.10 H new ATOM 0 HB2 TYR A 66 71.440 -4.902 2.752 1.00 0.10 H new ATOM 0 HB3 TYR A 66 72.082 -5.999 1.546 1.00 0.10 H new ATOM 0 HD1 TYR A 66 71.157 -2.498 2.258 1.00 0.09 H new ATOM 0 HD2 TYR A 66 72.895 -5.194 -0.598 1.00 0.12 H new ATOM 0 HE1 TYR A 66 72.096 -0.571 1.012 1.00 0.12 H new ATOM 0 HE2 TYR A 66 73.820 -3.265 -1.853 1.00 0.15 H new ATOM 0 HH TYR A 66 74.492 -0.875 -1.368 1.00 0.19 H new ATOM 709 N THR A 67 68.720 -3.910 2.545 1.00 0.09 N ATOM 710 CA THR A 67 67.842 -2.756 2.712 1.00 0.10 C ATOM 711 C THR A 67 68.531 -1.698 3.568 1.00 0.09 C ATOM 712 O THR A 67 69.137 -2.011 4.594 1.00 0.10 O ATOM 713 CB THR A 67 66.534 -3.188 3.379 1.00 0.12 C ATOM 714 OG1 THR A 67 65.982 -4.285 2.664 1.00 0.14 O ATOM 715 CG2 THR A 67 65.541 -2.023 3.368 1.00 0.14 C ATOM 0 H THR A 67 69.047 -4.321 3.420 1.00 0.09 H new ATOM 0 HA THR A 67 67.621 -2.335 1.731 1.00 0.10 H new ATOM 0 HB THR A 67 66.733 -3.483 4.409 1.00 0.12 H new ATOM 0 HG1 THR A 67 65.407 -3.950 1.945 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.611 -2.333 3.844 1.00 0.14 H new ATOM 0 HG22 THR A 67 65.964 -1.179 3.914 1.00 0.14 H new ATOM 0 HG23 THR A 67 65.341 -1.725 2.339 1.00 0.14 H new ATOM 723 N THR A 68 68.439 -0.443 3.141 1.00 0.09 N ATOM 724 CA THR A 68 69.072 0.655 3.873 1.00 0.09 C ATOM 725 C THR A 68 68.060 1.749 4.198 1.00 0.11 C ATOM 726 O THR A 68 67.158 2.025 3.408 1.00 0.14 O ATOM 727 CB THR A 68 70.222 1.233 3.040 1.00 0.10 C ATOM 728 OG1 THR A 68 70.849 2.281 3.766 1.00 0.11 O ATOM 729 CG2 THR A 68 69.690 1.771 1.709 1.00 0.12 C ATOM 0 H THR A 68 67.937 -0.159 2.299 1.00 0.09 H new ATOM 0 HA THR A 68 69.463 0.266 4.813 1.00 0.09 H new ATOM 0 HB THR A 68 70.948 0.446 2.835 1.00 0.10 H new ATOM 0 HG1 THR A 68 71.140 1.945 4.639 1.00 0.11 H new ATOM 0 HG21 THR A 68 70.515 2.179 1.126 1.00 0.12 H new ATOM 0 HG22 THR A 68 69.217 0.962 1.152 1.00 0.12 H new ATOM 0 HG23 THR A 68 68.958 2.556 1.900 1.00 0.12 H new ATOM 737 N TYR A 69 68.221 2.372 5.360 1.00 0.09 N ATOM 738 CA TYR A 69 67.333 3.457 5.767 1.00 0.10 C ATOM 739 C TYR A 69 68.032 4.801 5.601 1.00 0.10 C ATOM 740 O TYR A 69 69.223 4.924 5.892 1.00 0.09 O ATOM 741 CB TYR A 69 66.925 3.274 7.230 1.00 0.12 C ATOM 742 CG TYR A 69 66.253 1.951 7.506 1.00 0.16 C ATOM 743 CD1 TYR A 69 67.022 0.840 7.874 1.00 0.26 C ATOM 744 CD2 TYR A 69 64.862 1.834 7.398 1.00 0.16 C ATOM 745 CE1 TYR A 69 66.400 -0.388 8.132 1.00 0.30 C ATOM 746 CE2 TYR A 69 64.241 0.605 7.656 1.00 0.20 C ATOM 747 CZ TYR A 69 65.009 -0.504 8.023 1.00 0.24 C ATOM 748 OH TYR A 69 64.397 -1.715 8.278 1.00 0.29 O ATOM 0 H TYR A 69 68.953 2.147 6.034 1.00 0.09 H new ATOM 0 HA TYR A 69 66.445 3.436 5.136 1.00 0.10 H new ATOM 0 HB2 TYR A 69 67.810 3.361 7.860 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.251 4.082 7.515 1.00 0.12 H new ATOM 0 HD1 TYR A 69 68.095 0.930 7.959 1.00 0.26 H new ATOM 0 HD2 TYR A 69 64.268 2.691 7.116 1.00 0.16 H new ATOM 0 HE1 TYR A 69 66.993 -1.245 8.415 1.00 0.30 H new ATOM 0 HE2 TYR A 69 63.168 0.514 7.571 1.00 0.20 H new ATOM 0 HH TYR A 69 63.429 -1.624 8.158 1.00 0.29 H new ATOM 758 N ILE A 70 67.298 5.808 5.134 1.00 0.12 N ATOM 759 CA ILE A 70 67.878 7.138 4.956 1.00 0.13 C ATOM 760 C ILE A 70 67.560 8.012 6.178 1.00 0.13 C ATOM 761 O ILE A 70 66.389 8.345 6.374 1.00 0.16 O ATOM 762 CB ILE A 70 67.303 7.837 3.716 1.00 0.17 C ATOM 763 CG1 ILE A 70 67.313 6.916 2.488 1.00 0.18 C ATOM 764 CG2 ILE A 70 68.159 9.064 3.404 1.00 0.19 C ATOM 765 CD1 ILE A 70 66.522 7.571 1.351 1.00 0.34 C ATOM 0 H ILE A 70 66.314 5.732 4.875 1.00 0.12 H new ATOM 0 HA ILE A 70 68.954 7.012 4.835 1.00 0.13 H new ATOM 0 HB ILE A 70 66.271 8.114 3.931 1.00 0.17 H new ATOM 0 HG12 ILE A 70 68.338 6.727 2.170 1.00 0.18 H new ATOM 0 HG13 ILE A 70 66.875 5.950 2.741 1.00 0.18 H new ATOM 0 HG21 ILE A 70 67.762 9.571 2.525 1.00 0.19 H new ATOM 0 HG22 ILE A 70 68.142 9.746 4.254 1.00 0.19 H new ATOM 0 HG23 ILE A 70 69.185 8.752 3.210 1.00 0.19 H new ATOM 0 HD11 ILE A 70 66.529 6.917 0.479 1.00 0.34 H new ATOM 0 HD12 ILE A 70 65.494 7.737 1.672 1.00 0.34 H new ATOM 0 HD13 ILE A 70 66.980 8.526 1.092 1.00 0.34 H new ATOM 777 N PRO A 71 68.523 8.397 6.997 1.00 0.13 N ATOM 778 CA PRO A 71 68.227 9.241 8.198 1.00 0.14 C ATOM 779 C PRO A 71 67.501 10.538 7.830 1.00 0.14 C ATOM 780 O PRO A 71 66.568 10.949 8.520 1.00 0.14 O ATOM 781 CB PRO A 71 69.596 9.525 8.834 1.00 0.16 C ATOM 782 CG PRO A 71 70.617 9.121 7.824 1.00 0.18 C ATOM 783 CD PRO A 71 69.961 8.070 6.934 1.00 0.16 C ATOM 0 HA PRO A 71 67.554 8.729 8.886 1.00 0.14 H new ATOM 0 HB2 PRO A 71 69.696 10.580 9.088 1.00 0.16 H new ATOM 0 HB3 PRO A 71 69.720 8.962 9.759 1.00 0.16 H new ATOM 0 HG2 PRO A 71 70.940 9.980 7.235 1.00 0.18 H new ATOM 0 HG3 PRO A 71 71.504 8.717 8.311 1.00 0.18 H new ATOM 0 HD2 PRO A 71 70.338 8.121 5.912 1.00 0.16 H new ATOM 0 HD3 PRO A 71 70.157 7.061 7.296 1.00 0.16 H new ATOM 791 N VAL A 72 67.932 11.177 6.747 1.00 0.16 N ATOM 792 CA VAL A 72 67.270 12.382 6.263 1.00 0.19 C ATOM 793 C VAL A 72 67.216 12.369 4.738 1.00 0.21 C ATOM 794 O VAL A 72 68.098 11.806 4.089 1.00 0.30 O ATOM 795 CB VAL A 72 68.015 13.628 6.749 1.00 0.20 C ATOM 796 CG1 VAL A 72 67.991 13.672 8.278 1.00 1.34 C ATOM 797 CG2 VAL A 72 69.467 13.579 6.268 1.00 1.40 C ATOM 0 H VAL A 72 68.734 10.881 6.190 1.00 0.16 H new ATOM 0 HA VAL A 72 66.253 12.406 6.656 1.00 0.19 H new ATOM 0 HB VAL A 72 67.529 14.518 6.349 1.00 0.20 H new ATOM 0 HG11 VAL A 72 68.521 14.559 8.625 1.00 1.34 H new ATOM 0 HG12 VAL A 72 66.958 13.708 8.625 1.00 1.34 H new ATOM 0 HG13 VAL A 72 68.476 12.781 8.675 1.00 1.34 H new ATOM 0 HG21 VAL A 72 69.995 14.467 6.615 1.00 1.40 H new ATOM 0 HG22 VAL A 72 69.953 12.689 6.667 1.00 1.40 H new ATOM 0 HG23 VAL A 72 69.489 13.547 5.179 1.00 1.40 H new ATOM 807 N GLN A 73 66.195 13.005 4.170 1.00 0.34 N ATOM 808 CA GLN A 73 66.042 13.019 2.719 1.00 0.41 C ATOM 809 C GLN A 73 67.240 13.700 2.066 1.00 0.28 C ATOM 810 O GLN A 73 67.594 14.825 2.417 1.00 0.37 O ATOM 811 CB GLN A 73 64.758 13.757 2.334 1.00 0.66 C ATOM 812 CG GLN A 73 63.546 12.981 2.856 1.00 1.37 C ATOM 813 CD GLN A 73 62.254 13.741 2.562 1.00 1.56 C ATOM 814 OE1 GLN A 73 62.277 14.943 2.295 1.00 1.56 O ATOM 815 NE2 GLN A 73 61.116 13.103 2.596 1.00 2.32 N ATOM 0 H GLN A 73 65.472 13.510 4.683 1.00 0.34 H new ATOM 0 HA GLN A 73 65.984 11.989 2.367 1.00 0.41 H new ATOM 0 HB2 GLN A 73 64.766 14.764 2.752 1.00 0.66 H new ATOM 0 HB3 GLN A 73 64.697 13.862 1.251 1.00 0.66 H new ATOM 0 HG2 GLN A 73 63.509 11.996 2.390 1.00 1.37 H new ATOM 0 HG3 GLN A 73 63.644 12.822 3.930 1.00 1.37 H new ATOM 0 HE21 GLN A 73 61.096 12.107 2.817 1.00 2.32 H new ATOM 0 HE22 GLN A 73 60.247 13.600 2.402 1.00 2.32 H new ATOM 824 N ASP A 74 67.861 13.007 1.115 1.00 0.27 N ATOM 825 CA ASP A 74 69.031 13.538 0.421 1.00 0.39 C ATOM 826 C ASP A 74 68.747 13.671 -1.080 1.00 0.34 C ATOM 827 O ASP A 74 68.977 12.720 -1.832 1.00 0.32 O ATOM 828 CB ASP A 74 70.218 12.595 0.649 1.00 0.60 C ATOM 829 CG ASP A 74 71.530 13.374 0.629 1.00 1.00 C ATOM 830 OD1 ASP A 74 71.760 14.084 -0.336 1.00 1.52 O ATOM 831 OD2 ASP A 74 72.283 13.247 1.580 1.00 1.61 O ATOM 0 H ASP A 74 67.574 12.078 0.808 1.00 0.27 H new ATOM 0 HA ASP A 74 69.266 14.527 0.814 1.00 0.39 H new ATOM 0 HB2 ASP A 74 70.106 12.084 1.605 1.00 0.60 H new ATOM 0 HB3 ASP A 74 70.233 11.826 -0.123 1.00 0.60 H new ATOM 836 N PRO A 75 68.242 14.797 -1.540 1.00 0.36 N ATOM 837 CA PRO A 75 67.969 14.991 -3.001 1.00 0.36 C ATOM 838 C PRO A 75 69.224 14.820 -3.855 1.00 0.29 C ATOM 839 O PRO A 75 69.148 14.397 -5.008 1.00 0.30 O ATOM 840 CB PRO A 75 67.445 16.428 -3.097 1.00 0.47 C ATOM 841 CG PRO A 75 66.920 16.732 -1.737 1.00 0.53 C ATOM 842 CD PRO A 75 67.851 15.999 -0.776 1.00 0.45 C ATOM 0 HA PRO A 75 67.264 14.249 -3.377 1.00 0.36 H new ATOM 0 HB2 PRO A 75 68.238 17.120 -3.379 1.00 0.47 H new ATOM 0 HB3 PRO A 75 66.663 16.515 -3.852 1.00 0.47 H new ATOM 0 HG2 PRO A 75 66.921 17.805 -1.545 1.00 0.53 H new ATOM 0 HG3 PRO A 75 65.891 16.390 -1.626 1.00 0.53 H new ATOM 0 HD2 PRO A 75 68.716 16.607 -0.510 1.00 0.45 H new ATOM 0 HD3 PRO A 75 67.346 15.739 0.154 1.00 0.45 H new ATOM 850 N LYS A 76 70.377 15.150 -3.280 1.00 0.26 N ATOM 851 CA LYS A 76 71.647 15.017 -3.991 1.00 0.26 C ATOM 852 C LYS A 76 71.945 13.557 -4.348 1.00 0.22 C ATOM 853 O LYS A 76 72.584 13.278 -5.363 1.00 0.22 O ATOM 854 CB LYS A 76 72.786 15.588 -3.144 1.00 0.28 C ATOM 855 CG LYS A 76 74.080 15.600 -3.963 1.00 0.36 C ATOM 856 CD LYS A 76 75.234 16.097 -3.089 1.00 0.82 C ATOM 857 CE LYS A 76 76.490 16.260 -3.946 1.00 0.97 C ATOM 858 NZ LYS A 76 76.424 17.553 -4.683 1.00 1.84 N ATOM 0 H LYS A 76 70.459 15.510 -2.329 1.00 0.26 H new ATOM 0 HA LYS A 76 71.566 15.580 -4.921 1.00 0.26 H new ATOM 0 HB2 LYS A 76 72.540 16.599 -2.820 1.00 0.28 H new ATOM 0 HB3 LYS A 76 72.919 14.988 -2.244 1.00 0.28 H new ATOM 0 HG2 LYS A 76 74.297 14.599 -4.335 1.00 0.36 H new ATOM 0 HG3 LYS A 76 73.966 16.245 -4.834 1.00 0.36 H new ATOM 0 HD2 LYS A 76 74.970 17.048 -2.627 1.00 0.82 H new ATOM 0 HD3 LYS A 76 75.422 15.391 -2.280 1.00 0.82 H new ATOM 0 HE2 LYS A 76 77.379 16.233 -3.316 1.00 0.97 H new ATOM 0 HE3 LYS A 76 76.573 15.432 -4.650 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 77.307 17.696 -5.213 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 75.622 17.535 -5.345 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 76.296 18.332 -4.006 1.00 1.84 H new ATOM 872 N LEU A 77 71.479 12.625 -3.521 1.00 0.20 N ATOM 873 CA LEU A 77 71.778 11.212 -3.732 1.00 0.20 C ATOM 874 C LEU A 77 71.335 10.764 -5.122 1.00 0.19 C ATOM 875 O LEU A 77 72.026 9.984 -5.776 1.00 0.19 O ATOM 876 CB LEU A 77 71.074 10.367 -2.669 1.00 0.23 C ATOM 877 CG LEU A 77 71.506 8.905 -2.798 1.00 0.25 C ATOM 878 CD1 LEU A 77 72.962 8.761 -2.349 1.00 0.26 C ATOM 879 CD2 LEU A 77 70.614 8.030 -1.916 1.00 0.27 C ATOM 0 H LEU A 77 70.898 12.820 -2.706 1.00 0.20 H new ATOM 0 HA LEU A 77 72.856 11.074 -3.652 1.00 0.20 H new ATOM 0 HB2 LEU A 77 71.317 10.741 -1.674 1.00 0.23 H new ATOM 0 HB3 LEU A 77 69.993 10.448 -2.784 1.00 0.23 H new ATOM 0 HG LEU A 77 71.413 8.590 -3.837 1.00 0.25 H new ATOM 0 HD11 LEU A 77 73.270 7.719 -2.441 1.00 0.26 H new ATOM 0 HD12 LEU A 77 73.599 9.384 -2.976 1.00 0.26 H new ATOM 0 HD13 LEU A 77 73.055 9.077 -1.310 1.00 0.26 H new ATOM 0 HD21 LEU A 77 70.921 6.988 -2.008 1.00 0.27 H new ATOM 0 HD22 LEU A 77 70.708 8.346 -0.877 1.00 0.27 H new ATOM 0 HD23 LEU A 77 69.576 8.131 -2.234 1.00 0.27 H new ATOM 891 N LEU A 78 70.199 11.278 -5.582 1.00 0.20 N ATOM 892 CA LEU A 78 69.680 10.892 -6.889 1.00 0.24 C ATOM 893 C LEU A 78 70.694 11.225 -7.978 1.00 0.21 C ATOM 894 O LEU A 78 71.009 10.395 -8.832 1.00 0.22 O ATOM 895 CB LEU A 78 68.366 11.627 -7.170 1.00 0.31 C ATOM 896 CG LEU A 78 67.344 11.307 -6.075 1.00 0.37 C ATOM 897 CD1 LEU A 78 66.075 12.129 -6.309 1.00 0.45 C ATOM 898 CD2 LEU A 78 66.992 9.818 -6.116 1.00 0.47 C ATOM 0 H LEU A 78 69.626 11.954 -5.077 1.00 0.20 H new ATOM 0 HA LEU A 78 69.498 9.817 -6.887 1.00 0.24 H new ATOM 0 HB2 LEU A 78 68.542 12.702 -7.212 1.00 0.31 H new ATOM 0 HB3 LEU A 78 67.974 11.330 -8.143 1.00 0.31 H new ATOM 0 HG LEU A 78 67.770 11.553 -5.103 1.00 0.37 H new ATOM 0 HD11 LEU A 78 65.346 11.903 -5.531 1.00 0.45 H new ATOM 0 HD12 LEU A 78 66.319 13.191 -6.280 1.00 0.45 H new ATOM 0 HD13 LEU A 78 65.655 11.880 -7.283 1.00 0.45 H new ATOM 0 HD21 LEU A 78 66.265 9.594 -5.335 1.00 0.47 H new ATOM 0 HD22 LEU A 78 66.567 9.571 -7.089 1.00 0.47 H new ATOM 0 HD23 LEU A 78 67.893 9.227 -5.953 1.00 0.47 H new ATOM 910 N ASP A 79 71.242 12.434 -7.913 1.00 0.20 N ATOM 911 CA ASP A 79 72.207 12.872 -8.915 1.00 0.23 C ATOM 912 C ASP A 79 73.424 11.954 -8.926 1.00 0.22 C ATOM 913 O ASP A 79 73.932 11.595 -9.989 1.00 0.25 O ATOM 914 CB ASP A 79 72.648 14.310 -8.624 1.00 0.24 C ATOM 915 CG ASP A 79 71.468 15.270 -8.758 1.00 0.87 C ATOM 916 OD1 ASP A 79 70.588 14.998 -9.559 1.00 1.83 O ATOM 917 OD2 ASP A 79 71.461 16.266 -8.054 1.00 0.84 O ATOM 0 H ASP A 79 71.038 13.120 -7.187 1.00 0.20 H new ATOM 0 HA ASP A 79 71.729 12.831 -9.894 1.00 0.23 H new ATOM 0 HB2 ASP A 79 73.063 14.373 -7.618 1.00 0.24 H new ATOM 0 HB3 ASP A 79 73.440 14.600 -9.314 1.00 0.24 H new ATOM 922 N ASN A 80 73.877 11.558 -7.741 1.00 0.20 N ATOM 923 CA ASN A 80 75.042 10.687 -7.639 1.00 0.22 C ATOM 924 C ASN A 80 74.791 9.361 -8.356 1.00 0.23 C ATOM 925 O ASN A 80 75.615 8.913 -9.155 1.00 0.26 O ATOM 926 CB ASN A 80 75.358 10.418 -6.166 1.00 0.22 C ATOM 927 CG ASN A 80 76.723 9.750 -6.040 1.00 0.27 C ATOM 928 OD1 ASN A 80 76.809 8.554 -5.766 1.00 0.64 O ATOM 929 ND2 ASN A 80 77.804 10.458 -6.225 1.00 0.66 N ATOM 0 H ASN A 80 73.461 11.822 -6.848 1.00 0.20 H new ATOM 0 HA ASN A 80 75.888 11.186 -8.112 1.00 0.22 H new ATOM 0 HB2 ASN A 80 75.349 11.353 -5.607 1.00 0.22 H new ATOM 0 HB3 ASN A 80 74.589 9.779 -5.731 1.00 0.22 H new ATOM 0 HD21 ASN A 80 78.721 10.019 -6.142 1.00 0.66 H new ATOM 0 HD22 ASN A 80 77.731 11.450 -6.452 1.00 0.66 H new ATOM 936 N LEU A 81 73.640 8.750 -8.096 1.00 0.20 N ATOM 937 CA LEU A 81 73.316 7.466 -8.712 1.00 0.21 C ATOM 938 C LEU A 81 73.333 7.565 -10.232 1.00 0.24 C ATOM 939 O LEU A 81 73.738 6.618 -10.906 1.00 0.27 O ATOM 940 CB LEU A 81 71.935 6.995 -8.247 1.00 0.20 C ATOM 941 CG LEU A 81 71.925 6.825 -6.726 1.00 0.20 C ATOM 942 CD1 LEU A 81 70.506 6.495 -6.260 1.00 0.19 C ATOM 943 CD2 LEU A 81 72.863 5.682 -6.331 1.00 0.24 C ATOM 0 H LEU A 81 72.923 9.117 -7.471 1.00 0.20 H new ATOM 0 HA LEU A 81 74.073 6.745 -8.404 1.00 0.21 H new ATOM 0 HB2 LEU A 81 71.176 7.718 -8.545 1.00 0.20 H new ATOM 0 HB3 LEU A 81 71.683 6.050 -8.729 1.00 0.20 H new ATOM 0 HG LEU A 81 72.260 7.750 -6.258 1.00 0.20 H new ATOM 0 HD11 LEU A 81 70.498 6.374 -5.177 1.00 0.19 H new ATOM 0 HD12 LEU A 81 69.833 7.306 -6.539 1.00 0.19 H new ATOM 0 HD13 LEU A 81 70.174 5.570 -6.731 1.00 0.19 H new ATOM 0 HD21 LEU A 81 72.855 5.562 -5.248 1.00 0.24 H new ATOM 0 HD22 LEU A 81 72.528 4.757 -6.801 1.00 0.24 H new ATOM 0 HD23 LEU A 81 73.876 5.911 -6.663 1.00 0.24 H new ATOM 955 N LEU A 82 72.891 8.700 -10.771 1.00 0.25 N ATOM 956 CA LEU A 82 72.899 8.881 -12.219 1.00 0.29 C ATOM 957 C LEU A 82 74.327 8.934 -12.757 1.00 0.32 C ATOM 958 O LEU A 82 74.640 8.281 -13.751 1.00 0.36 O ATOM 959 CB LEU A 82 72.145 10.155 -12.609 1.00 0.30 C ATOM 960 CG LEU A 82 70.696 10.075 -12.121 1.00 0.29 C ATOM 961 CD1 LEU A 82 69.988 11.398 -12.415 1.00 0.32 C ATOM 962 CD2 LEU A 82 69.968 8.943 -12.851 1.00 0.32 C ATOM 0 H LEU A 82 72.530 9.492 -10.239 1.00 0.25 H new ATOM 0 HA LEU A 82 72.394 8.023 -12.664 1.00 0.29 H new ATOM 0 HB2 LEU A 82 72.636 11.026 -12.175 1.00 0.30 H new ATOM 0 HB3 LEU A 82 72.167 10.284 -13.691 1.00 0.30 H new ATOM 0 HG LEU A 82 70.687 9.882 -11.048 1.00 0.29 H new ATOM 0 HD11 LEU A 82 68.956 11.343 -12.068 1.00 0.32 H new ATOM 0 HD12 LEU A 82 70.502 12.208 -11.898 1.00 0.32 H new ATOM 0 HD13 LEU A 82 70.001 11.587 -13.488 1.00 0.32 H new ATOM 0 HD21 LEU A 82 68.937 8.889 -12.502 1.00 0.32 H new ATOM 0 HD22 LEU A 82 69.978 9.136 -13.924 1.00 0.32 H new ATOM 0 HD23 LEU A 82 70.470 7.997 -12.648 1.00 0.32 H new ATOM 974 N THR A 83 75.205 9.668 -12.077 1.00 0.32 N ATOM 975 CA THR A 83 76.604 9.743 -12.496 1.00 0.36 C ATOM 976 C THR A 83 77.270 8.364 -12.497 1.00 0.37 C ATOM 977 O THR A 83 78.141 8.089 -13.322 1.00 0.41 O ATOM 978 CB THR A 83 77.372 10.679 -11.560 1.00 0.36 C ATOM 979 OG1 THR A 83 76.699 11.929 -11.489 1.00 0.40 O ATOM 980 CG2 THR A 83 78.789 10.895 -12.095 1.00 0.32 C ATOM 0 H THR A 83 74.978 10.213 -11.245 1.00 0.32 H new ATOM 0 HA THR A 83 76.627 10.129 -13.515 1.00 0.36 H new ATOM 0 HB THR A 83 77.426 10.233 -10.567 1.00 0.36 H new ATOM 0 HG1 THR A 83 77.188 12.530 -10.889 1.00 0.40 H new ATOM 0 HG21 THR A 83 79.333 11.562 -11.426 1.00 0.32 H new ATOM 0 HG22 THR A 83 79.306 9.937 -12.152 1.00 0.32 H new ATOM 0 HG23 THR A 83 78.739 11.340 -13.089 1.00 0.32 H new ATOM 988 N LYS A 84 76.856 7.502 -11.572 1.00 0.34 N ATOM 989 CA LYS A 84 77.395 6.143 -11.487 1.00 0.36 C ATOM 990 C LYS A 84 76.759 5.171 -12.494 1.00 0.36 C ATOM 991 O LYS A 84 77.143 4.002 -12.535 1.00 0.37 O ATOM 992 CB LYS A 84 77.224 5.593 -10.068 1.00 0.35 C ATOM 993 CG LYS A 84 77.878 6.534 -9.050 1.00 0.38 C ATOM 994 CD LYS A 84 79.389 6.599 -9.289 1.00 1.08 C ATOM 995 CE LYS A 84 80.051 7.373 -8.147 1.00 1.07 C ATOM 996 NZ LYS A 84 79.755 8.826 -8.295 1.00 2.15 N ATOM 0 H LYS A 84 76.149 7.718 -10.869 1.00 0.34 H new ATOM 0 HA LYS A 84 78.453 6.218 -11.740 1.00 0.36 H new ATOM 0 HB2 LYS A 84 76.164 5.480 -9.840 1.00 0.35 H new ATOM 0 HB3 LYS A 84 77.673 4.602 -9.998 1.00 0.35 H new ATOM 0 HG2 LYS A 84 77.445 7.531 -9.134 1.00 0.38 H new ATOM 0 HG3 LYS A 84 77.677 6.184 -8.038 1.00 0.38 H new ATOM 0 HD2 LYS A 84 79.803 5.592 -9.348 1.00 1.08 H new ATOM 0 HD3 LYS A 84 79.597 7.086 -10.242 1.00 1.08 H new ATOM 0 HE2 LYS A 84 79.682 7.012 -7.187 1.00 1.07 H new ATOM 0 HE3 LYS A 84 81.128 7.207 -8.158 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 80.260 9.360 -7.559 1.00 2.15 H new ATOM 0 HZ2 LYS A 84 80.066 9.150 -9.233 1.00 2.15 H new ATOM 0 HZ3 LYS A 84 78.732 8.984 -8.196 1.00 2.15 H new ATOM 1010 N ASN A 85 75.789 5.629 -13.287 1.00 0.35 N ATOM 1011 CA ASN A 85 75.092 4.758 -14.227 1.00 0.36 C ATOM 1012 C ASN A 85 74.389 3.619 -13.489 1.00 0.33 C ATOM 1013 O ASN A 85 74.388 2.472 -13.942 1.00 0.35 O ATOM 1014 CB ASN A 85 76.076 4.197 -15.259 1.00 0.42 C ATOM 1015 CG ASN A 85 76.803 5.339 -15.959 1.00 0.43 C ATOM 1016 OD1 ASN A 85 76.188 6.346 -16.312 1.00 0.85 O ATOM 1017 ND2 ASN A 85 78.085 5.243 -16.185 1.00 0.94 N ATOM 0 H ASN A 85 75.470 6.598 -13.295 1.00 0.35 H new ATOM 0 HA ASN A 85 74.336 5.347 -14.747 1.00 0.36 H new ATOM 0 HB2 ASN A 85 76.797 3.542 -14.769 1.00 0.42 H new ATOM 0 HB3 ASN A 85 75.542 3.591 -15.991 1.00 0.42 H new ATOM 0 HD21 ASN A 85 78.578 6.002 -16.654 1.00 0.94 H new ATOM 0 HD22 ASN A 85 78.593 4.409 -15.892 1.00 0.94 H new ATOM 1024 N VAL A 86 73.782 3.944 -12.351 1.00 0.30 N ATOM 1025 CA VAL A 86 73.035 2.949 -11.587 1.00 0.26 C ATOM 1026 C VAL A 86 71.546 3.069 -11.899 1.00 0.23 C ATOM 1027 O VAL A 86 71.018 4.176 -12.011 1.00 0.26 O ATOM 1028 CB VAL A 86 73.273 3.154 -10.085 1.00 0.26 C ATOM 1029 CG1 VAL A 86 72.546 2.067 -9.287 1.00 0.24 C ATOM 1030 CG2 VAL A 86 74.771 3.068 -9.783 1.00 0.30 C ATOM 0 H VAL A 86 73.792 4.878 -11.941 1.00 0.30 H new ATOM 0 HA VAL A 86 73.379 1.953 -11.867 1.00 0.26 H new ATOM 0 HB VAL A 86 72.892 4.135 -9.801 1.00 0.26 H new ATOM 0 HG11 VAL A 86 72.720 2.220 -8.222 1.00 0.24 H new ATOM 0 HG12 VAL A 86 71.477 2.120 -9.491 1.00 0.24 H new ATOM 0 HG13 VAL A 86 72.923 1.087 -9.579 1.00 0.24 H new ATOM 0 HG21 VAL A 86 74.936 3.214 -8.716 1.00 0.30 H new ATOM 0 HG22 VAL A 86 75.146 2.088 -10.077 1.00 0.30 H new ATOM 0 HG23 VAL A 86 75.300 3.841 -10.341 1.00 0.30 H new ATOM 1040 N LYS A 87 70.874 1.929 -12.042 1.00 0.21 N ATOM 1041 CA LYS A 87 69.450 1.940 -12.360 1.00 0.23 C ATOM 1042 C LYS A 87 68.660 2.515 -11.190 1.00 0.21 C ATOM 1043 O LYS A 87 68.903 2.162 -10.037 1.00 0.23 O ATOM 1044 CB LYS A 87 68.965 0.521 -12.666 1.00 0.24 C ATOM 1045 CG LYS A 87 67.516 0.571 -13.157 1.00 0.30 C ATOM 1046 CD LYS A 87 67.003 -0.851 -13.385 1.00 0.86 C ATOM 1047 CE LYS A 87 65.614 -0.797 -14.023 1.00 1.03 C ATOM 1048 NZ LYS A 87 65.295 -2.119 -14.632 1.00 1.92 N ATOM 0 H LYS A 87 71.285 1.001 -11.945 1.00 0.21 H new ATOM 0 HA LYS A 87 69.292 2.564 -13.240 1.00 0.23 H new ATOM 0 HB2 LYS A 87 69.601 0.063 -13.424 1.00 0.24 H new ATOM 0 HB3 LYS A 87 69.036 -0.100 -11.773 1.00 0.24 H new ATOM 0 HG2 LYS A 87 66.890 1.081 -12.424 1.00 0.30 H new ATOM 0 HG3 LYS A 87 67.454 1.144 -14.082 1.00 0.30 H new ATOM 0 HD2 LYS A 87 67.690 -1.398 -14.031 1.00 0.86 H new ATOM 0 HD3 LYS A 87 66.959 -1.389 -12.438 1.00 0.86 H new ATOM 0 HE2 LYS A 87 64.867 -0.541 -13.272 1.00 1.03 H new ATOM 0 HE3 LYS A 87 65.582 -0.017 -14.784 1.00 1.03 H new ATOM 0 HZ1 LYS A 87 64.351 -2.083 -15.066 1.00 1.92 H new ATOM 0 HZ2 LYS A 87 66.002 -2.345 -15.360 1.00 1.92 H new ATOM 0 HZ3 LYS A 87 65.309 -2.853 -13.895 1.00 1.92 H new ATOM 1062 N VAL A 88 67.694 3.379 -11.487 1.00 0.22 N ATOM 1063 CA VAL A 88 66.918 4.041 -10.437 1.00 0.20 C ATOM 1064 C VAL A 88 65.425 3.812 -10.652 1.00 0.21 C ATOM 1065 O VAL A 88 64.909 3.985 -11.757 1.00 0.25 O ATOM 1066 CB VAL A 88 67.222 5.545 -10.424 1.00 0.24 C ATOM 1067 CG1 VAL A 88 66.482 6.218 -9.263 1.00 0.24 C ATOM 1068 CG2 VAL A 88 68.727 5.768 -10.246 1.00 0.26 C ATOM 0 H VAL A 88 67.429 3.637 -12.438 1.00 0.22 H new ATOM 0 HA VAL A 88 67.201 3.613 -9.475 1.00 0.20 H new ATOM 0 HB VAL A 88 66.893 5.977 -11.369 1.00 0.24 H new ATOM 0 HG11 VAL A 88 66.703 7.285 -9.261 1.00 0.24 H new ATOM 0 HG12 VAL A 88 65.409 6.070 -9.381 1.00 0.24 H new ATOM 0 HG13 VAL A 88 66.807 5.778 -8.320 1.00 0.24 H new ATOM 0 HG21 VAL A 88 68.938 6.837 -10.237 1.00 0.26 H new ATOM 0 HG22 VAL A 88 69.051 5.327 -9.304 1.00 0.26 H new ATOM 0 HG23 VAL A 88 69.264 5.299 -11.070 1.00 0.26 H new ATOM 1078 N VAL A 89 64.741 3.421 -9.582 1.00 0.19 N ATOM 1079 CA VAL A 89 63.296 3.198 -9.633 1.00 0.22 C ATOM 1080 C VAL A 89 62.611 4.051 -8.573 1.00 0.22 C ATOM 1081 O VAL A 89 63.068 4.107 -7.434 1.00 0.19 O ATOM 1082 CB VAL A 89 62.962 1.725 -9.364 1.00 0.24 C ATOM 1083 CG1 VAL A 89 61.467 1.495 -9.592 1.00 0.21 C ATOM 1084 CG2 VAL A 89 63.764 0.812 -10.299 1.00 0.30 C ATOM 0 H VAL A 89 65.161 3.251 -8.668 1.00 0.19 H new ATOM 0 HA VAL A 89 62.944 3.470 -10.628 1.00 0.22 H new ATOM 0 HB VAL A 89 63.223 1.488 -8.333 1.00 0.24 H new ATOM 0 HG11 VAL A 89 61.227 0.449 -9.402 1.00 0.21 H new ATOM 0 HG12 VAL A 89 60.894 2.128 -8.915 1.00 0.21 H new ATOM 0 HG13 VAL A 89 61.214 1.744 -10.623 1.00 0.21 H new ATOM 0 HG21 VAL A 89 63.514 -0.229 -10.094 1.00 0.30 H new ATOM 0 HG22 VAL A 89 63.519 1.047 -11.335 1.00 0.30 H new ATOM 0 HG23 VAL A 89 64.830 0.968 -10.134 1.00 0.30 H new ATOM 1094 N GLY A 90 61.508 4.702 -8.934 1.00 0.27 N ATOM 1095 CA GLY A 90 60.768 5.523 -7.976 1.00 0.30 C ATOM 1096 C GLY A 90 59.322 5.058 -7.859 1.00 0.50 C ATOM 1097 O GLY A 90 58.628 4.906 -8.864 1.00 0.73 O ATOM 0 H GLY A 90 61.109 4.679 -9.872 1.00 0.27 H new ATOM 0 HA2 GLY A 90 61.250 5.472 -7.000 1.00 0.30 H new ATOM 0 HA3 GLY A 90 60.794 6.566 -8.290 1.00 0.30 H new ATOM 1101 N GLU A 91 58.870 4.837 -6.627 1.00 0.55 N ATOM 1102 CA GLU A 91 57.480 4.453 -6.399 1.00 0.91 C ATOM 1103 C GLU A 91 57.017 4.894 -5.007 1.00 1.23 C ATOM 1104 O GLU A 91 57.074 4.103 -4.064 1.00 1.39 O ATOM 1105 CB GLU A 91 57.322 2.938 -6.546 1.00 1.05 C ATOM 1106 CG GLU A 91 57.253 2.570 -8.028 1.00 1.70 C ATOM 1107 CD GLU A 91 56.773 1.131 -8.186 1.00 2.42 C ATOM 1108 OE1 GLU A 91 57.367 0.258 -7.575 1.00 2.75 O ATOM 1109 OE2 GLU A 91 55.818 0.922 -8.917 1.00 3.17 O ATOM 0 H GLU A 91 59.437 4.916 -5.783 1.00 0.55 H new ATOM 0 HA GLU A 91 56.860 4.951 -7.144 1.00 0.91 H new ATOM 0 HB2 GLU A 91 58.161 2.427 -6.073 1.00 1.05 H new ATOM 0 HB3 GLU A 91 56.418 2.606 -6.036 1.00 1.05 H new ATOM 0 HG2 GLU A 91 56.576 3.247 -8.548 1.00 1.70 H new ATOM 0 HG3 GLU A 91 58.235 2.687 -8.486 1.00 1.70 H new ATOM 1116 N PRO A 92 56.569 6.124 -4.846 1.00 1.61 N ATOM 1117 CA PRO A 92 56.077 6.605 -3.517 1.00 2.06 C ATOM 1118 C PRO A 92 54.919 5.744 -2.999 1.00 2.32 C ATOM 1119 O PRO A 92 54.151 5.216 -3.806 1.00 2.43 O ATOM 1120 CB PRO A 92 55.617 8.046 -3.767 1.00 2.48 C ATOM 1121 CG PRO A 92 56.279 8.465 -5.034 1.00 2.52 C ATOM 1122 CD PRO A 92 56.462 7.194 -5.860 1.00 1.91 C ATOM 0 HA PRO A 92 56.854 6.544 -2.755 1.00 2.06 H new ATOM 0 HB2 PRO A 92 54.532 8.101 -3.855 1.00 2.48 H new ATOM 0 HB3 PRO A 92 55.903 8.697 -2.941 1.00 2.48 H new ATOM 0 HG2 PRO A 92 55.669 9.193 -5.569 1.00 2.52 H new ATOM 0 HG3 PRO A 92 57.239 8.940 -4.833 1.00 2.52 H new ATOM 0 HD2 PRO A 92 55.618 7.027 -6.529 1.00 1.91 H new ATOM 0 HD3 PRO A 92 57.356 7.247 -6.481 1.00 1.91 H new ATOM 1130 N PRO A 93 54.764 5.583 -1.700 1.00 2.69 N ATOM 1131 CA PRO A 93 53.642 4.761 -1.146 1.00 3.14 C ATOM 1132 C PRO A 93 52.286 5.230 -1.667 1.00 3.58 C ATOM 1133 O PRO A 93 52.072 6.424 -1.877 1.00 3.80 O ATOM 1134 CB PRO A 93 53.740 4.967 0.368 1.00 3.64 C ATOM 1135 CG PRO A 93 55.166 5.318 0.608 1.00 3.48 C ATOM 1136 CD PRO A 93 55.592 6.135 -0.608 1.00 3.00 C ATOM 0 HA PRO A 93 53.721 3.714 -1.439 1.00 3.14 H new ATOM 0 HB2 PRO A 93 53.074 5.762 0.704 1.00 3.64 H new ATOM 0 HB3 PRO A 93 53.457 4.064 0.910 1.00 3.64 H new ATOM 0 HG2 PRO A 93 55.280 5.893 1.527 1.00 3.48 H new ATOM 0 HG3 PRO A 93 55.779 4.423 0.714 1.00 3.48 H new ATOM 0 HD2 PRO A 93 55.406 7.199 -0.462 1.00 3.00 H new ATOM 0 HD3 PRO A 93 56.656 6.022 -0.815 1.00 3.00 H new ATOM 1144 N GLU A 94 51.373 4.285 -1.874 1.00 3.96 N ATOM 1145 CA GLU A 94 50.048 4.609 -2.397 1.00 4.59 C ATOM 1146 C GLU A 94 48.985 4.459 -1.314 1.00 5.38 C ATOM 1147 O GLU A 94 49.118 3.637 -0.407 1.00 5.70 O ATOM 1148 CB GLU A 94 49.714 3.683 -3.569 1.00 5.02 C ATOM 1149 CG GLU A 94 50.739 3.885 -4.690 1.00 5.18 C ATOM 1150 CD GLU A 94 50.704 5.316 -5.232 1.00 5.24 C ATOM 1151 OE1 GLU A 94 49.725 6.012 -5.006 1.00 5.22 O ATOM 1152 OE2 GLU A 94 51.669 5.699 -5.872 1.00 5.65 O ATOM 0 H GLU A 94 51.524 3.293 -1.689 1.00 3.96 H new ATOM 0 HA GLU A 94 50.057 5.645 -2.736 1.00 4.59 H new ATOM 0 HB2 GLU A 94 49.721 2.644 -3.239 1.00 5.02 H new ATOM 0 HB3 GLU A 94 48.710 3.894 -3.938 1.00 5.02 H new ATOM 0 HG2 GLU A 94 51.738 3.661 -4.316 1.00 5.18 H new ATOM 0 HG3 GLU A 94 50.537 3.183 -5.499 1.00 5.18 H new ATOM 1159 N GLU A 95 47.930 5.262 -1.418 1.00 5.92 N ATOM 1160 CA GLU A 95 46.828 5.210 -0.461 1.00 6.87 C ATOM 1161 C GLU A 95 45.491 5.076 -1.201 1.00 7.76 C ATOM 1162 O GLU A 95 44.813 6.081 -1.432 1.00 7.83 O ATOM 1163 CB GLU A 95 46.826 6.477 0.400 1.00 7.16 C ATOM 1164 CG GLU A 95 48.117 6.541 1.217 1.00 7.33 C ATOM 1165 CD GLU A 95 48.259 7.916 1.860 1.00 7.47 C ATOM 1166 OE1 GLU A 95 47.995 8.896 1.184 1.00 7.52 O ATOM 1167 OE2 GLU A 95 48.631 7.970 3.022 1.00 7.76 O ATOM 0 H GLU A 95 47.814 5.957 -2.156 1.00 5.92 H new ATOM 0 HA GLU A 95 46.961 4.341 0.184 1.00 6.87 H new ATOM 0 HB2 GLU A 95 46.740 7.360 -0.234 1.00 7.16 H new ATOM 0 HB3 GLU A 95 45.962 6.476 1.065 1.00 7.16 H new ATOM 0 HG2 GLU A 95 48.109 5.769 1.987 1.00 7.33 H new ATOM 0 HG3 GLU A 95 48.974 6.341 0.574 1.00 7.33 H new ATOM 1174 N PRO A 96 45.096 3.879 -1.585 1.00 8.63 N ATOM 1175 CA PRO A 96 43.836 3.691 -2.370 1.00 9.67 C ATOM 1176 C PRO A 96 42.605 4.187 -1.616 1.00 10.08 C ATOM 1177 O PRO A 96 42.427 3.896 -0.434 1.00 10.26 O ATOM 1178 CB PRO A 96 43.760 2.180 -2.624 1.00 10.57 C ATOM 1179 CG PRO A 96 44.644 1.557 -1.601 1.00 10.13 C ATOM 1180 CD PRO A 96 45.744 2.578 -1.317 1.00 8.93 C ATOM 0 HA PRO A 96 43.851 4.270 -3.294 1.00 9.67 H new ATOM 0 HB2 PRO A 96 42.736 1.818 -2.530 1.00 10.57 H new ATOM 0 HB3 PRO A 96 44.094 1.935 -3.632 1.00 10.57 H new ATOM 0 HG2 PRO A 96 44.086 1.322 -0.694 1.00 10.13 H new ATOM 0 HG3 PRO A 96 45.066 0.621 -1.968 1.00 10.13 H new ATOM 0 HD2 PRO A 96 46.096 2.511 -0.287 1.00 8.93 H new ATOM 0 HD3 PRO A 96 46.610 2.422 -1.960 1.00 8.93 H new ATOM 1188 N LEU A 97 41.759 4.938 -2.315 1.00 10.45 N ATOM 1189 CA LEU A 97 40.519 5.439 -1.727 1.00 11.04 C ATOM 1190 C LEU A 97 39.519 4.307 -1.486 1.00 11.89 C ATOM 1191 O LEU A 97 38.767 4.333 -0.512 1.00 12.08 O ATOM 1192 CB LEU A 97 39.889 6.482 -2.653 1.00 11.40 C ATOM 1193 CG LEU A 97 40.875 7.627 -2.903 1.00 11.56 C ATOM 1194 CD1 LEU A 97 40.268 8.609 -3.907 1.00 11.71 C ATOM 1195 CD2 LEU A 97 41.155 8.364 -1.590 1.00 11.77 C ATOM 0 H LEU A 97 41.908 5.213 -3.286 1.00 10.45 H new ATOM 0 HA LEU A 97 40.764 5.893 -0.767 1.00 11.04 H new ATOM 0 HB2 LEU A 97 39.610 6.019 -3.599 1.00 11.40 H new ATOM 0 HB3 LEU A 97 38.974 6.871 -2.207 1.00 11.40 H new ATOM 0 HG LEU A 97 41.806 7.220 -3.298 1.00 11.56 H new ATOM 0 HD11 LEU A 97 40.968 9.425 -4.087 1.00 11.71 H new ATOM 0 HD12 LEU A 97 40.065 8.092 -4.845 1.00 11.71 H new ATOM 0 HD13 LEU A 97 39.338 9.011 -3.506 1.00 11.71 H new ATOM 0 HD21 LEU A 97 41.857 9.178 -1.772 1.00 11.77 H new ATOM 0 HD22 LEU A 97 40.224 8.770 -1.195 1.00 11.77 H new ATOM 0 HD23 LEU A 97 41.584 7.670 -0.867 1.00 11.77 H new ATOM 1207 N GLU A 98 39.514 3.316 -2.374 1.00 12.53 N ATOM 1208 CA GLU A 98 38.558 2.217 -2.281 1.00 13.52 C ATOM 1209 C GLU A 98 38.654 1.495 -0.936 1.00 13.93 C ATOM 1210 O GLU A 98 37.652 0.985 -0.434 1.00 14.01 O ATOM 1211 CB GLU A 98 38.808 1.217 -3.413 1.00 14.19 C ATOM 1212 CG GLU A 98 38.533 1.884 -4.763 1.00 14.28 C ATOM 1213 CD GLU A 98 37.069 2.301 -4.858 1.00 13.85 C ATOM 1214 OE1 GLU A 98 36.273 1.497 -5.316 1.00 14.00 O ATOM 1215 OE2 GLU A 98 36.765 3.418 -4.472 1.00 13.51 O ATOM 0 H GLU A 98 40.158 3.252 -3.162 1.00 12.53 H new ATOM 0 HA GLU A 98 37.557 2.640 -2.368 1.00 13.52 H new ATOM 0 HB2 GLU A 98 39.838 0.861 -3.376 1.00 14.19 H new ATOM 0 HB3 GLU A 98 38.165 0.346 -3.290 1.00 14.19 H new ATOM 0 HG2 GLU A 98 39.175 2.756 -4.883 1.00 14.28 H new ATOM 0 HG3 GLU A 98 38.776 1.196 -5.573 1.00 14.28 H new ATOM 1222 N HIS A 99 39.854 1.438 -0.364 1.00 14.35 N ATOM 1223 CA HIS A 99 40.041 0.773 0.923 1.00 14.94 C ATOM 1224 C HIS A 99 39.145 1.399 1.987 1.00 15.25 C ATOM 1225 O HIS A 99 38.556 0.695 2.807 1.00 15.32 O ATOM 1226 CB HIS A 99 41.504 0.880 1.357 1.00 15.27 C ATOM 1227 CG HIS A 99 41.805 0.135 2.629 1.00 15.50 C ATOM 1228 ND1 HIS A 99 41.742 -1.246 2.709 1.00 15.48 N ATOM 1229 CD2 HIS A 99 42.170 0.567 3.881 1.00 15.95 C ATOM 1230 CE1 HIS A 99 42.061 -1.595 3.968 1.00 15.90 C ATOM 1231 NE2 HIS A 99 42.332 -0.528 4.725 1.00 16.20 N ATOM 0 H HIS A 99 40.702 1.839 -0.765 1.00 14.35 H new ATOM 0 HA HIS A 99 39.771 -0.277 0.811 1.00 14.94 H new ATOM 0 HB2 HIS A 99 42.141 0.496 0.560 1.00 15.27 H new ATOM 0 HB3 HIS A 99 41.760 1.931 1.491 1.00 15.27 H new ATOM 0 HD2 HIS A 99 42.310 1.599 4.167 1.00 15.95 H new ATOM 0 HE1 HIS A 99 42.094 -2.614 4.324 1.00 15.90 H new ATOM 0 HE2 HIS A 99 42.600 -0.518 5.709 1.00 16.20 H new ATOM 1239 N HIS A 100 39.049 2.725 1.969 1.00 15.60 N ATOM 1240 CA HIS A 100 38.210 3.436 2.932 1.00 16.10 C ATOM 1241 C HIS A 100 36.754 2.969 2.882 1.00 16.21 C ATOM 1242 O HIS A 100 36.047 3.029 3.889 1.00 16.29 O ATOM 1243 CB HIS A 100 38.269 4.939 2.658 1.00 16.57 C ATOM 1244 CG HIS A 100 39.624 5.540 2.911 1.00 16.76 C ATOM 1245 ND1 HIS A 100 40.613 5.571 1.940 1.00 17.19 N ATOM 1246 CD2 HIS A 100 40.170 6.139 4.020 1.00 16.75 C ATOM 1247 CE1 HIS A 100 41.691 6.170 2.476 1.00 17.42 C ATOM 1248 NE2 HIS A 100 41.476 6.536 3.742 1.00 17.17 N ATOM 0 H HIS A 100 39.537 3.326 1.305 1.00 15.60 H new ATOM 0 HA HIS A 100 38.598 3.217 3.927 1.00 16.10 H new ATOM 0 HB2 HIS A 100 37.986 5.123 1.622 1.00 16.57 H new ATOM 0 HB3 HIS A 100 37.533 5.444 3.284 1.00 16.57 H new ATOM 0 HD2 HIS A 100 39.664 6.281 4.964 1.00 16.75 H new ATOM 0 HE1 HIS A 100 42.618 6.335 1.947 1.00 17.42 H new ATOM 0 HE2 HIS A 100 42.128 7.005 4.370 1.00 17.17 H new ATOM 1256 N HIS A 101 36.303 2.502 1.718 1.00 16.36 N ATOM 1257 CA HIS A 101 34.920 2.064 1.567 1.00 16.65 C ATOM 1258 C HIS A 101 34.814 0.546 1.668 1.00 16.91 C ATOM 1259 O HIS A 101 35.553 -0.186 1.011 1.00 17.14 O ATOM 1260 CB HIS A 101 34.375 2.523 0.214 1.00 16.80 C ATOM 1261 CG HIS A 101 34.284 4.019 0.081 1.00 17.13 C ATOM 1262 ND1 HIS A 101 35.316 4.778 -0.445 1.00 17.44 N ATOM 1263 CD2 HIS A 101 33.289 4.910 0.402 1.00 17.35 C ATOM 1264 CE1 HIS A 101 34.926 6.065 -0.426 1.00 17.82 C ATOM 1265 NE2 HIS A 101 33.697 6.202 0.080 1.00 17.79 N ATOM 0 H HIS A 101 36.871 2.418 0.875 1.00 16.36 H new ATOM 0 HA HIS A 101 34.333 2.508 2.371 1.00 16.65 H new ATOM 0 HB2 HIS A 101 35.015 2.134 -0.578 1.00 16.80 H new ATOM 0 HB3 HIS A 101 33.385 2.092 0.064 1.00 16.80 H new ATOM 0 HD2 HIS A 101 32.336 4.649 0.838 1.00 17.35 H new ATOM 0 HE1 HIS A 101 35.532 6.887 -0.777 1.00 17.82 H new ATOM 0 HE2 HIS A 101 33.171 7.067 0.204 1.00 17.79 H new ATOM 1273 N HIS A 102 33.886 0.083 2.500 1.00 17.03 N ATOM 1274 CA HIS A 102 33.653 -1.349 2.659 1.00 17.46 C ATOM 1275 C HIS A 102 33.228 -1.988 1.338 1.00 17.73 C ATOM 1276 O HIS A 102 33.609 -3.120 1.038 1.00 18.10 O ATOM 1277 CB HIS A 102 32.570 -1.585 3.711 1.00 17.62 C ATOM 1278 CG HIS A 102 32.321 -3.041 3.999 1.00 17.77 C ATOM 1279 ND1 HIS A 102 33.275 -3.850 4.597 1.00 17.75 N ATOM 1280 CD2 HIS A 102 31.232 -3.848 3.777 1.00 18.09 C ATOM 1281 CE1 HIS A 102 32.748 -5.081 4.713 1.00 18.05 C ATOM 1282 NE2 HIS A 102 31.505 -5.136 4.229 1.00 18.27 N ATOM 0 H HIS A 102 33.285 0.676 3.073 1.00 17.03 H new ATOM 0 HA HIS A 102 34.587 -1.810 2.981 1.00 17.46 H new ATOM 0 HB2 HIS A 102 32.857 -1.084 4.635 1.00 17.62 H new ATOM 0 HB3 HIS A 102 31.641 -1.125 3.374 1.00 17.62 H new ATOM 0 HD2 HIS A 102 30.305 -3.532 3.321 1.00 18.09 H new ATOM 0 HE1 HIS A 102 33.267 -5.924 5.145 1.00 18.05 H new ATOM 0 HE2 HIS A 102 30.888 -5.948 4.197 1.00 18.27 H new ATOM 1290 N HIS A 103 32.438 -1.262 0.552 1.00 17.69 N ATOM 1291 CA HIS A 103 31.947 -1.786 -0.717 1.00 18.12 C ATOM 1292 C HIS A 103 33.111 -2.178 -1.620 1.00 18.52 C ATOM 1293 O HIS A 103 34.171 -1.553 -1.592 1.00 18.82 O ATOM 1294 CB HIS A 103 31.088 -0.732 -1.420 1.00 18.07 C ATOM 1295 CG HIS A 103 29.841 -0.372 -0.659 1.00 18.13 C ATOM 1296 ND1 HIS A 103 29.802 0.681 0.241 1.00 18.35 N ATOM 1297 CD2 HIS A 103 28.579 -0.916 -0.654 1.00 18.15 C ATOM 1298 CE1 HIS A 103 28.557 0.739 0.745 1.00 18.49 C ATOM 1299 NE2 HIS A 103 27.770 -0.211 0.234 1.00 18.38 N ATOM 0 H HIS A 103 32.126 -0.316 0.770 1.00 17.69 H new ATOM 0 HA HIS A 103 31.344 -2.671 -0.514 1.00 18.12 H new ATOM 0 HB2 HIS A 103 31.684 0.168 -1.573 1.00 18.07 H new ATOM 0 HB3 HIS A 103 30.809 -1.101 -2.407 1.00 18.07 H new ATOM 0 HD2 HIS A 103 28.263 -1.761 -1.248 1.00 18.15 H new ATOM 0 HE1 HIS A 103 28.233 1.466 1.475 1.00 18.49 H new ATOM 0 HE2 HIS A 103 26.788 -0.383 0.448 1.00 18.38 H new ATOM 1307 N HIS A 104 32.906 -3.220 -2.423 1.00 18.68 N ATOM 1308 CA HIS A 104 33.944 -3.704 -3.329 1.00 19.22 C ATOM 1309 C HIS A 104 33.414 -3.776 -4.758 1.00 19.40 C ATOM 1310 O HIS A 104 32.267 -4.160 -4.925 1.00 19.63 O ATOM 1311 CB HIS A 104 34.411 -5.092 -2.889 1.00 19.83 C ATOM 1312 CG HIS A 104 35.559 -5.625 -3.702 1.00 20.24 C ATOM 1313 ND1 HIS A 104 36.819 -5.049 -3.665 1.00 20.20 N ATOM 1314 CD2 HIS A 104 35.654 -6.679 -4.576 1.00 20.83 C ATOM 1315 CE1 HIS A 104 37.611 -5.753 -4.493 1.00 20.75 C ATOM 1316 NE2 HIS A 104 36.951 -6.758 -5.075 1.00 21.15 N ATOM 1317 OXT HIS A 104 34.161 -3.446 -5.663 1.00 19.42 O ATOM 0 H HIS A 104 32.032 -3.744 -2.464 1.00 18.68 H new ATOM 0 HA HIS A 104 34.783 -3.009 -3.297 1.00 19.22 H new ATOM 0 HB2 HIS A 104 34.707 -5.052 -1.841 1.00 19.83 H new ATOM 0 HB3 HIS A 104 33.574 -5.787 -2.958 1.00 19.83 H new ATOM 0 HD2 HIS A 104 34.845 -7.346 -4.837 1.00 20.83 H new ATOM 0 HE1 HIS A 104 38.654 -5.533 -4.666 1.00 20.75 H new ATOM 0 HE2 HIS A 104 37.318 -7.437 -5.742 1.00 21.15 H new TER 1325 HIS A 104