USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 463 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 4 TYR OH : rot -42:sc= 0.144 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.1) USER MOD Single : A 19 THR OG1 : rot -120:sc= -1.37 USER MOD Single : A 28 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.7) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 0.0917 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.42! C(o=-1.4!,f=-3.4!) USER MOD Single : A 48 MET CE :methyl -105:sc= -2.06! (180deg=-3.25!) USER MOD Single : A 52 ASN : amide:sc= 0.0123 X(o=0.012,f=-0.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.919 23.282 29.162 1.00 28.47 N ATOM 2 CA VAL A 2 65.626 22.678 29.582 1.00 27.63 C ATOM 3 C VAL A 2 65.522 21.224 29.126 1.00 27.22 C ATOM 4 O VAL A 2 65.893 20.889 28.000 1.00 27.29 O ATOM 5 CB VAL A 2 64.421 23.484 29.036 1.00 29.44 C ATOM 6 CG1 VAL A 2 64.455 23.558 27.516 1.00 30.68 C ATOM 7 CG2 VAL A 2 63.108 22.885 29.519 1.00 28.06 C ATOM 0 HA VAL A 2 65.599 22.708 30.671 1.00 27.63 H new ATOM 0 HB VAL A 2 64.495 24.501 29.422 1.00 29.44 H new ATOM 0 HG11 VAL A 2 63.598 24.129 27.160 1.00 30.68 H new ATOM 0 HG12 VAL A 2 65.375 24.047 27.196 1.00 30.68 H new ATOM 0 HG13 VAL A 2 64.417 22.551 27.102 1.00 30.68 H new ATOM 0 HG21 VAL A 2 62.275 23.467 29.124 1.00 28.06 H new ATOM 0 HG22 VAL A 2 63.028 21.855 29.171 1.00 28.06 H new ATOM 0 HG23 VAL A 2 63.079 22.904 30.608 1.00 28.06 H new ATOM 19 N ASP A 3 65.006 20.365 30.006 1.00 25.50 N ATOM 20 CA ASP A 3 64.867 18.944 29.702 1.00 24.73 C ATOM 21 C ASP A 3 63.562 18.665 28.957 1.00 23.55 C ATOM 22 O ASP A 3 62.558 19.351 29.156 1.00 25.41 O ATOM 23 CB ASP A 3 64.923 18.115 30.991 1.00 24.12 C ATOM 24 CG ASP A 3 65.305 16.667 30.739 1.00 23.15 C ATOM 25 OD1 ASP A 3 64.424 15.878 30.333 1.00 23.64 O ATOM 26 OD2 ASP A 3 66.485 16.320 30.952 1.00 27.21 O ATOM 0 H ASP A 3 64.678 20.630 30.935 1.00 25.50 H new ATOM 0 HA ASP A 3 65.697 18.656 29.057 1.00 24.73 H new ATOM 0 HB2 ASP A 3 65.643 18.563 31.675 1.00 24.12 H new ATOM 0 HB3 ASP A 3 63.951 18.150 31.483 1.00 24.12 H new ATOM 31 N TYR A 4 63.594 17.646 28.102 1.00 22.85 N ATOM 32 CA TYR A 4 62.428 17.250 27.317 1.00 20.38 C ATOM 33 C TYR A 4 62.165 15.756 27.459 1.00 19.62 C ATOM 34 O TYR A 4 63.084 14.976 27.714 1.00 19.45 O ATOM 35 CB TYR A 4 62.637 17.592 25.838 1.00 20.51 C ATOM 36 CG TYR A 4 62.234 19.000 25.454 1.00 22.09 C ATOM 37 CD1 TYR A 4 62.797 20.108 26.078 1.00 20.17 C ATOM 38 CD2 TYR A 4 61.294 19.220 24.455 1.00 21.07 C ATOM 39 CE1 TYR A 4 62.431 21.391 25.718 1.00 24.84 C ATOM 40 CE2 TYR A 4 60.925 20.500 24.089 1.00 21.00 C ATOM 41 CZ TYR A 4 61.497 21.582 24.723 1.00 23.27 C ATOM 42 OH TYR A 4 61.135 22.861 24.362 1.00 23.97 O ATOM 0 H TYR A 4 64.423 17.075 27.934 1.00 22.85 H new ATOM 0 HA TYR A 4 61.566 17.800 27.695 1.00 20.38 H new ATOM 0 HB2 TYR A 4 63.689 17.449 25.591 1.00 20.51 H new ATOM 0 HB3 TYR A 4 62.068 16.887 25.232 1.00 20.51 H new ATOM 0 HD1 TYR A 4 63.532 19.963 26.856 1.00 20.17 H new ATOM 0 HD2 TYR A 4 60.844 18.375 23.955 1.00 21.07 H new ATOM 0 HE1 TYR A 4 62.875 22.241 26.215 1.00 24.84 H new ATOM 0 HE2 TYR A 4 60.192 20.652 23.310 1.00 21.00 H new ATOM 0 HH TYR A 4 61.023 23.409 25.167 1.00 23.97 H new ATOM 52 N ILE A 5 60.906 15.366 27.297 1.00 19.64 N ATOM 53 CA ILE A 5 60.519 13.963 27.385 1.00 17.42 C ATOM 54 C ILE A 5 60.017 13.483 26.030 1.00 15.48 C ATOM 55 O ILE A 5 59.253 14.177 25.360 1.00 13.64 O ATOM 56 CB ILE A 5 59.435 13.724 28.465 1.00 17.05 C ATOM 57 CG1 ILE A 5 59.122 12.227 28.584 1.00 18.26 C ATOM 58 CG2 ILE A 5 58.169 14.515 28.152 1.00 17.24 C ATOM 59 CD1 ILE A 5 58.222 11.884 29.752 1.00 24.60 C ATOM 0 H ILE A 5 60.134 16.004 27.103 1.00 19.64 H new ATOM 0 HA ILE A 5 61.402 13.394 27.677 1.00 17.42 H new ATOM 0 HB ILE A 5 59.822 14.075 29.421 1.00 17.05 H new ATOM 0 HG12 ILE A 5 58.650 11.889 27.662 1.00 18.26 H new ATOM 0 HG13 ILE A 5 60.057 11.676 28.684 1.00 18.26 H new ATOM 0 HG21 ILE A 5 57.424 14.330 28.925 1.00 17.24 H new ATOM 0 HG22 ILE A 5 58.403 15.579 28.121 1.00 17.24 H new ATOM 0 HG23 ILE A 5 57.774 14.202 27.185 1.00 17.24 H new ATOM 0 HD11 ILE A 5 58.045 10.809 29.771 1.00 24.60 H new ATOM 0 HD12 ILE A 5 58.701 12.190 30.682 1.00 24.60 H new ATOM 0 HD13 ILE A 5 57.271 12.406 29.644 1.00 24.60 H new ATOM 71 N VAL A 6 60.443 12.291 25.628 1.00 14.88 N ATOM 72 CA VAL A 6 60.048 11.742 24.339 1.00 16.39 C ATOM 73 C VAL A 6 58.601 11.267 24.373 1.00 16.73 C ATOM 74 O VAL A 6 58.231 10.427 25.193 1.00 16.60 O ATOM 75 CB VAL A 6 60.955 10.570 23.913 1.00 14.83 C ATOM 76 CG1 VAL A 6 60.607 10.108 22.505 1.00 13.66 C ATOM 77 CG2 VAL A 6 62.423 10.960 24.004 1.00 14.68 C ATOM 0 H VAL A 6 61.059 11.689 26.174 1.00 14.88 H new ATOM 0 HA VAL A 6 60.152 12.545 23.609 1.00 16.39 H new ATOM 0 HB VAL A 6 60.783 9.740 24.599 1.00 14.83 H new ATOM 0 HG11 VAL A 6 61.258 9.281 22.222 1.00 13.66 H new ATOM 0 HG12 VAL A 6 59.568 9.779 22.476 1.00 13.66 H new ATOM 0 HG13 VAL A 6 60.745 10.933 21.807 1.00 13.66 H new ATOM 0 HG21 VAL A 6 63.043 10.117 23.699 1.00 14.68 H new ATOM 0 HG22 VAL A 6 62.615 11.809 23.348 1.00 14.68 H new ATOM 0 HG23 VAL A 6 62.664 11.234 25.031 1.00 14.68 H new ATOM 87 N GLU A 7 57.788 11.822 23.485 1.00 18.22 N ATOM 88 CA GLU A 7 56.381 11.451 23.394 1.00 19.75 C ATOM 89 C GLU A 7 56.132 10.526 22.200 1.00 19.66 C ATOM 90 O GLU A 7 55.131 9.808 22.164 1.00 19.94 O ATOM 91 CB GLU A 7 55.502 12.704 23.288 1.00 22.09 C ATOM 92 CG GLU A 7 55.877 13.622 22.132 1.00 24.09 C ATOM 93 CD GLU A 7 54.995 14.850 22.039 1.00 26.56 C ATOM 94 OE1 GLU A 7 53.840 14.720 21.582 1.00 30.58 O ATOM 95 OE2 GLU A 7 55.461 15.946 22.419 1.00 25.20 O ATOM 0 H GLU A 7 58.079 12.533 22.815 1.00 18.22 H new ATOM 0 HA GLU A 7 56.116 10.911 24.303 1.00 19.75 H new ATOM 0 HB2 GLU A 7 54.462 12.398 23.174 1.00 22.09 H new ATOM 0 HB3 GLU A 7 55.569 13.264 24.221 1.00 22.09 H new ATOM 0 HG2 GLU A 7 56.915 13.935 22.246 1.00 24.09 H new ATOM 0 HG3 GLU A 7 55.813 13.064 21.198 1.00 24.09 H new ATOM 102 N TYR A 8 57.048 10.547 21.227 1.00 20.46 N ATOM 103 CA TYR A 8 56.935 9.704 20.042 1.00 18.95 C ATOM 104 C TYR A 8 58.270 9.037 19.727 1.00 19.02 C ATOM 105 O TYR A 8 59.332 9.647 19.874 1.00 15.87 O ATOM 106 CB TYR A 8 56.463 10.524 18.837 1.00 21.85 C ATOM 107 CG TYR A 8 55.002 10.907 18.896 1.00 18.43 C ATOM 108 CD1 TYR A 8 54.008 9.965 18.659 1.00 19.22 C ATOM 109 CD2 TYR A 8 54.615 12.208 19.191 1.00 20.37 C ATOM 110 CE1 TYR A 8 52.671 10.309 18.712 1.00 20.17 C ATOM 111 CE2 TYR A 8 53.280 12.560 19.248 1.00 20.58 C ATOM 112 CZ TYR A 8 52.312 11.608 19.007 1.00 21.70 C ATOM 113 OH TYR A 8 50.981 11.957 19.062 1.00 22.64 O ATOM 0 H TYR A 8 57.877 11.142 21.241 1.00 20.46 H new ATOM 0 HA TYR A 8 56.196 8.930 20.249 1.00 18.95 H new ATOM 0 HB2 TYR A 8 57.064 11.430 18.768 1.00 21.85 H new ATOM 0 HB3 TYR A 8 56.643 9.952 17.927 1.00 21.85 H new ATOM 0 HD1 TYR A 8 54.285 8.947 18.430 1.00 19.22 H new ATOM 0 HD2 TYR A 8 55.370 12.957 19.379 1.00 20.37 H new ATOM 0 HE1 TYR A 8 51.911 9.565 18.524 1.00 20.17 H new ATOM 0 HE2 TYR A 8 52.996 13.576 19.480 1.00 20.58 H new ATOM 0 HH TYR A 8 50.901 12.908 19.283 1.00 22.64 H new ATOM 123 N ASP A 9 58.207 7.782 19.289 1.00 19.32 N ATOM 124 CA ASP A 9 59.408 7.024 18.947 1.00 19.54 C ATOM 125 C ASP A 9 59.915 7.424 17.564 1.00 19.44 C ATOM 126 O ASP A 9 59.161 7.404 16.589 1.00 22.24 O ATOM 127 CB ASP A 9 59.119 5.520 18.988 1.00 19.40 C ATOM 128 CG ASP A 9 60.330 4.681 18.626 1.00 19.30 C ATOM 129 OD1 ASP A 9 60.527 4.408 17.423 1.00 22.49 O ATOM 130 OD2 ASP A 9 61.081 4.297 19.546 1.00 22.70 O ATOM 0 H ASP A 9 57.335 7.268 19.162 1.00 19.32 H new ATOM 0 HA ASP A 9 60.180 7.252 19.681 1.00 19.54 H new ATOM 0 HB2 ASP A 9 58.778 5.247 19.987 1.00 19.40 H new ATOM 0 HB3 ASP A 9 58.305 5.292 18.300 1.00 19.40 H new ATOM 135 N TYR A 10 61.198 7.779 17.483 1.00 19.80 N ATOM 136 CA TYR A 10 61.801 8.186 16.217 1.00 19.14 C ATOM 137 C TYR A 10 63.042 7.353 15.909 1.00 19.27 C ATOM 138 O TYR A 10 63.867 7.098 16.791 1.00 19.65 O ATOM 139 CB TYR A 10 62.171 9.672 16.249 1.00 18.98 C ATOM 140 CG TYR A 10 62.546 10.232 14.892 1.00 18.21 C ATOM 141 CD1 TYR A 10 63.834 10.089 14.391 1.00 18.09 C ATOM 142 CD2 TYR A 10 61.609 10.897 14.111 1.00 16.11 C ATOM 143 CE1 TYR A 10 64.176 10.593 13.150 1.00 17.82 C ATOM 144 CE2 TYR A 10 61.945 11.403 12.871 1.00 18.99 C ATOM 145 CZ TYR A 10 63.230 11.249 12.395 1.00 19.73 C ATOM 146 OH TYR A 10 63.569 11.750 11.157 1.00 19.88 O ATOM 0 H TYR A 10 61.837 7.792 18.278 1.00 19.80 H new ATOM 0 HA TYR A 10 61.065 8.019 15.430 1.00 19.14 H new ATOM 0 HB2 TYR A 10 61.330 10.239 16.647 1.00 18.98 H new ATOM 0 HB3 TYR A 10 63.005 9.816 16.935 1.00 18.98 H new ATOM 0 HD1 TYR A 10 64.580 9.576 14.980 1.00 18.09 H new ATOM 0 HD2 TYR A 10 60.601 11.020 14.480 1.00 16.11 H new ATOM 0 HE1 TYR A 10 65.181 10.473 12.774 1.00 17.82 H new ATOM 0 HE2 TYR A 10 61.204 11.917 12.276 1.00 18.99 H new ATOM 0 HH TYR A 10 62.788 12.183 10.754 1.00 19.88 H new ATOM 156 N ASP A 11 63.170 6.937 14.650 1.00 20.91 N ATOM 157 CA ASP A 11 64.313 6.140 14.215 1.00 21.74 C ATOM 158 C ASP A 11 65.394 7.040 13.623 1.00 21.42 C ATOM 159 O ASP A 11 65.162 7.731 12.629 1.00 22.26 O ATOM 160 CB ASP A 11 63.878 5.094 13.183 1.00 22.27 C ATOM 161 CG ASP A 11 65.034 4.235 12.701 1.00 23.57 C ATOM 162 OD1 ASP A 11 65.686 4.621 11.706 1.00 24.76 O ATOM 163 OD2 ASP A 11 65.289 3.180 13.319 1.00 26.05 O ATOM 0 H ASP A 11 62.494 7.140 13.913 1.00 20.91 H new ATOM 0 HA ASP A 11 64.721 5.624 15.084 1.00 21.74 H new ATOM 0 HB2 ASP A 11 63.112 4.454 13.620 1.00 22.27 H new ATOM 0 HB3 ASP A 11 63.424 5.598 12.330 1.00 22.27 H new ATOM 168 N ALA A 12 66.576 7.025 14.238 1.00 20.92 N ATOM 169 CA ALA A 12 67.691 7.844 13.774 1.00 22.85 C ATOM 170 C ALA A 12 68.184 7.391 12.405 1.00 25.49 C ATOM 171 O ALA A 12 68.873 6.376 12.285 1.00 26.15 O ATOM 172 CB ALA A 12 68.831 7.819 14.781 1.00 20.93 C ATOM 0 H ALA A 12 66.784 6.455 15.058 1.00 20.92 H new ATOM 0 HA ALA A 12 67.330 8.868 13.679 1.00 22.85 H new ATOM 0 HB1 ALA A 12 69.652 8.436 14.416 1.00 20.93 H new ATOM 0 HB2 ALA A 12 68.481 8.209 15.737 1.00 20.93 H new ATOM 0 HB3 ALA A 12 69.178 6.794 14.913 1.00 20.93 H new ATOM 178 N VAL A 13 67.815 8.148 11.375 1.00 27.78 N ATOM 179 CA VAL A 13 68.230 7.845 10.009 0.50 28.61 C ATOM 180 C VAL A 13 69.535 8.565 9.681 1.00 29.89 C ATOM 181 O VAL A 13 70.370 8.051 8.934 1.00 31.71 O ATOM 182 CB VAL A 13 67.148 8.229 8.971 0.50 28.07 C ATOM 183 CG1 VAL A 13 65.884 7.410 9.188 0.50 26.47 C ATOM 184 CG2 VAL A 13 66.838 9.720 9.026 0.50 28.31 C ATOM 0 H VAL A 13 67.228 8.978 11.461 1.00 27.78 H new ATOM 0 HA VAL A 13 68.379 6.767 9.950 0.50 28.61 H new ATOM 0 HB VAL A 13 67.539 8.005 7.979 0.50 28.07 H new ATOM 0 HG11 VAL A 13 65.135 7.694 8.449 0.50 26.47 H new ATOM 0 HG12 VAL A 13 66.115 6.350 9.082 0.50 26.47 H new ATOM 0 HG13 VAL A 13 65.496 7.598 10.189 0.50 26.47 H new ATOM 0 HG21 VAL A 13 66.075 9.960 8.286 0.50 28.31 H new ATOM 0 HG22 VAL A 13 66.474 9.980 10.020 0.50 28.31 H new ATOM 0 HG23 VAL A 13 67.743 10.288 8.811 0.50 28.31 H new ATOM 194 N HIS A 14 69.701 9.763 10.251 1.00 31.70 N ATOM 195 CA HIS A 14 70.909 10.555 10.046 1.00 32.50 C ATOM 196 C HIS A 14 71.940 10.221 11.121 1.00 32.86 C ATOM 197 O HIS A 14 71.677 9.410 12.013 1.00 33.89 O ATOM 198 CB HIS A 14 70.582 12.054 10.081 1.00 33.28 C ATOM 199 CG HIS A 14 69.512 12.463 9.114 1.00 35.00 C ATOM 200 ND1 HIS A 14 68.203 12.684 9.488 1.00 35.25 N ATOM 201 CD2 HIS A 14 69.564 12.694 7.780 1.00 35.89 C ATOM 202 CE1 HIS A 14 67.496 13.031 8.428 1.00 36.93 C ATOM 203 NE2 HIS A 14 68.299 13.045 7.380 1.00 37.29 N ATOM 0 H HIS A 14 69.010 10.203 10.859 1.00 31.70 H new ATOM 0 HA HIS A 14 71.322 10.312 9.067 1.00 32.50 H new ATOM 0 HB2 HIS A 14 70.270 12.325 11.090 1.00 33.28 H new ATOM 0 HB3 HIS A 14 71.489 12.619 9.865 1.00 33.28 H new ATOM 0 HD2 HIS A 14 70.437 12.616 7.149 1.00 35.89 H new ATOM 0 HE1 HIS A 14 66.441 13.264 8.420 1.00 36.93 H new ATOM 0 HE2 HIS A 14 68.023 13.279 6.426 1.00 37.29 H new ATOM 212 N ASP A 15 73.112 10.844 11.038 1.00 33.94 N ATOM 213 CA ASP A 15 74.172 10.600 12.012 1.00 35.16 C ATOM 214 C ASP A 15 73.902 11.363 13.305 1.00 33.77 C ATOM 215 O ASP A 15 74.024 10.807 14.398 1.00 32.75 O ATOM 216 CB ASP A 15 75.538 10.993 11.440 1.00 38.42 C ATOM 217 CG ASP A 15 75.912 10.176 10.216 1.00 42.27 C ATOM 218 OD1 ASP A 15 75.567 10.598 9.092 1.00 45.18 O ATOM 219 OD2 ASP A 15 76.549 9.114 10.383 1.00 43.52 O ATOM 0 H ASP A 15 73.351 11.518 10.311 1.00 33.94 H new ATOM 0 HA ASP A 15 74.185 9.533 12.235 1.00 35.16 H new ATOM 0 HB2 ASP A 15 75.528 12.051 11.178 1.00 38.42 H new ATOM 0 HB3 ASP A 15 76.301 10.862 12.207 1.00 38.42 H new ATOM 224 N ASP A 16 73.536 12.636 13.172 1.00 32.66 N ATOM 225 CA ASP A 16 73.230 13.472 14.330 1.00 32.09 C ATOM 226 C ASP A 16 71.843 13.147 14.884 1.00 28.99 C ATOM 227 O ASP A 16 71.557 13.423 16.049 1.00 29.32 O ATOM 228 CB ASP A 16 73.317 14.958 13.962 1.00 33.11 C ATOM 229 CG ASP A 16 72.328 15.352 12.878 1.00 34.80 C ATOM 230 OD1 ASP A 16 72.646 15.166 11.685 1.00 35.42 O ATOM 231 OD2 ASP A 16 71.234 15.846 13.224 1.00 35.07 O ATOM 0 H ASP A 16 73.444 13.111 12.274 1.00 32.66 H new ATOM 0 HA ASP A 16 73.969 13.260 15.103 1.00 32.09 H new ATOM 0 HB2 ASP A 16 73.133 15.560 14.852 1.00 33.11 H new ATOM 0 HB3 ASP A 16 74.328 15.186 13.626 1.00 33.11 H new ATOM 236 N GLU A 17 70.984 12.564 14.040 1.00 26.24 N ATOM 237 CA GLU A 17 69.628 12.197 14.441 1.00 25.30 C ATOM 238 C GLU A 17 69.646 11.349 15.707 1.00 24.54 C ATOM 239 O GLU A 17 70.317 10.317 15.768 1.00 25.14 O ATOM 240 CB GLU A 17 68.929 11.439 13.309 1.00 23.95 C ATOM 241 CG GLU A 17 67.443 11.208 13.545 1.00 20.42 C ATOM 242 CD GLU A 17 66.644 12.496 13.597 1.00 21.71 C ATOM 243 OE1 GLU A 17 66.633 13.231 12.586 1.00 21.61 O ATOM 244 OE2 GLU A 17 66.024 12.768 14.647 1.00 20.15 O ATOM 0 H GLU A 17 71.209 12.337 13.071 1.00 26.24 H new ATOM 0 HA GLU A 17 69.075 13.113 14.650 1.00 25.30 H new ATOM 0 HB2 GLU A 17 69.057 11.995 12.380 1.00 23.95 H new ATOM 0 HB3 GLU A 17 69.419 10.475 13.174 1.00 23.95 H new ATOM 0 HG2 GLU A 17 67.049 10.574 12.751 1.00 20.42 H new ATOM 0 HG3 GLU A 17 67.309 10.666 14.481 1.00 20.42 H new ATOM 251 N LEU A 18 68.901 11.793 16.715 1.00 23.56 N ATOM 252 CA LEU A 18 68.830 11.085 17.985 1.00 20.54 C ATOM 253 C LEU A 18 67.692 10.074 17.972 1.00 19.54 C ATOM 254 O LEU A 18 66.550 10.416 17.655 1.00 17.41 O ATOM 255 CB LEU A 18 68.635 12.075 19.139 1.00 21.20 C ATOM 256 CG LEU A 18 69.410 11.751 20.420 1.00 20.22 C ATOM 257 CD1 LEU A 18 69.138 12.804 21.484 1.00 19.20 C ATOM 258 CD2 LEU A 18 69.050 10.365 20.936 1.00 19.15 C ATOM 0 H LEU A 18 68.337 12.642 16.675 1.00 23.56 H new ATOM 0 HA LEU A 18 69.770 10.552 18.131 1.00 20.54 H new ATOM 0 HB2 LEU A 18 68.929 13.067 18.798 1.00 21.20 H new ATOM 0 HB3 LEU A 18 67.573 12.122 19.379 1.00 21.20 H new ATOM 0 HG LEU A 18 70.475 11.759 20.186 1.00 20.22 H new ATOM 0 HD11 LEU A 18 69.696 12.560 22.388 1.00 19.20 H new ATOM 0 HD12 LEU A 18 69.451 13.781 21.117 1.00 19.20 H new ATOM 0 HD13 LEU A 18 68.072 12.826 21.710 1.00 19.20 H new ATOM 0 HD21 LEU A 18 69.613 10.158 21.846 1.00 19.15 H new ATOM 0 HD22 LEU A 18 67.982 10.323 21.152 1.00 19.15 H new ATOM 0 HD23 LEU A 18 69.296 9.620 20.180 1.00 19.15 H new ATOM 270 N THR A 19 68.008 8.826 18.314 1.00 20.31 N ATOM 271 CA THR A 19 67.002 7.775 18.356 1.00 20.55 C ATOM 272 C THR A 19 66.237 7.873 19.669 1.00 19.06 C ATOM 273 O THR A 19 66.589 7.221 20.656 1.00 18.35 O ATOM 274 CB THR A 19 67.625 6.365 18.231 1.00 20.16 C ATOM 275 OG1 THR A 19 68.554 6.326 17.143 1.00 22.84 O ATOM 276 CG2 THR A 19 66.545 5.315 18.012 1.00 22.41 C ATOM 0 H THR A 19 68.949 8.522 18.564 1.00 20.31 H new ATOM 0 HA THR A 19 66.334 7.916 17.506 1.00 20.55 H new ATOM 0 HB THR A 19 68.149 6.145 19.161 1.00 20.16 H new ATOM 0 HG1 THR A 19 68.265 5.655 16.490 1.00 22.84 H new ATOM 0 HG21 THR A 19 67.006 4.331 17.927 1.00 22.41 H new ATOM 0 HG22 THR A 19 65.855 5.321 18.856 1.00 22.41 H new ATOM 0 HG23 THR A 19 65.999 5.540 17.096 1.00 22.41 H new ATOM 284 N ILE A 20 65.198 8.703 19.687 1.00 19.37 N ATOM 285 CA ILE A 20 64.403 8.912 20.891 1.00 16.93 C ATOM 286 C ILE A 20 63.213 7.954 20.959 1.00 15.57 C ATOM 287 O ILE A 20 62.534 7.714 19.960 1.00 15.48 O ATOM 288 CB ILE A 20 63.889 10.370 20.972 1.00 18.29 C ATOM 289 CG1 ILE A 20 62.916 10.669 19.823 1.00 16.61 C ATOM 290 CG2 ILE A 20 65.059 11.346 20.944 1.00 15.26 C ATOM 291 CD1 ILE A 20 62.397 12.091 19.820 1.00 24.60 C ATOM 0 H ILE A 20 64.887 9.242 18.879 1.00 19.37 H new ATOM 0 HA ILE A 20 65.059 8.712 21.738 1.00 16.93 H new ATOM 0 HB ILE A 20 63.354 10.492 21.913 1.00 18.29 H new ATOM 0 HG12 ILE A 20 63.416 10.472 18.875 1.00 16.61 H new ATOM 0 HG13 ILE A 20 62.071 9.983 19.886 1.00 16.61 H new ATOM 0 HG21 ILE A 20 64.682 12.367 21.002 1.00 15.26 H new ATOM 0 HG22 ILE A 20 65.715 11.153 21.793 1.00 15.26 H new ATOM 0 HG23 ILE A 20 65.618 11.217 20.017 1.00 15.26 H new ATOM 0 HD11 ILE A 20 61.716 12.228 18.980 1.00 24.60 H new ATOM 0 HD12 ILE A 20 61.868 12.287 20.752 1.00 24.60 H new ATOM 0 HD13 ILE A 20 63.233 12.783 19.725 1.00 24.60 H new ATOM 303 N ARG A 21 62.976 7.405 22.150 1.00 15.18 N ATOM 304 CA ARG A 21 61.864 6.483 22.371 1.00 17.91 C ATOM 305 C ARG A 21 60.903 7.064 23.403 1.00 18.31 C ATOM 306 O ARG A 21 61.337 7.635 24.404 1.00 16.91 O ATOM 307 CB ARG A 21 62.373 5.116 22.844 1.00 17.50 C ATOM 308 CG ARG A 21 63.278 4.408 21.844 1.00 16.96 C ATOM 309 CD ARG A 21 64.726 4.852 21.979 1.00 15.75 C ATOM 310 NE ARG A 21 65.614 4.113 21.080 1.00 17.98 N ATOM 311 CZ ARG A 21 66.943 4.076 21.203 1.00 18.72 C ATOM 312 NH1 ARG A 21 67.550 4.733 22.189 1.00 15.98 N ATOM 313 NH2 ARG A 21 67.670 3.378 20.336 1.00 18.32 N ATOM 0 H ARG A 21 63.542 7.584 22.979 1.00 15.18 H new ATOM 0 HA ARG A 21 61.339 6.346 21.425 1.00 17.91 H new ATOM 0 HB2 ARG A 21 62.916 5.247 23.780 1.00 17.50 H new ATOM 0 HB3 ARG A 21 61.517 4.476 23.059 1.00 17.50 H new ATOM 0 HG2 ARG A 21 63.213 3.330 21.994 1.00 16.96 H new ATOM 0 HG3 ARG A 21 62.929 4.610 20.831 1.00 16.96 H new ATOM 0 HD2 ARG A 21 64.799 5.918 21.765 1.00 15.75 H new ATOM 0 HD3 ARG A 21 65.054 4.710 23.009 1.00 15.75 H new ATOM 0 HE ARG A 21 65.191 3.593 20.311 1.00 17.98 H new ATOM 0 HH11 ARG A 21 66.999 5.270 22.858 1.00 15.98 H new ATOM 0 HH12 ARG A 21 68.566 4.699 22.275 1.00 15.98 H new ATOM 0 HH21 ARG A 21 67.212 2.872 19.578 1.00 18.32 H new ATOM 0 HH22 ARG A 21 68.685 3.349 20.429 1.00 18.32 H new ATOM 327 N VAL A 22 59.599 6.908 23.159 1.00 17.47 N ATOM 328 CA VAL A 22 58.571 7.432 24.060 1.00 15.85 C ATOM 329 C VAL A 22 58.858 7.083 25.521 1.00 16.32 C ATOM 330 O VAL A 22 59.030 5.912 25.869 1.00 16.12 O ATOM 331 CB VAL A 22 57.165 6.905 23.690 1.00 14.89 C ATOM 332 CG1 VAL A 22 56.098 7.551 24.563 1.00 8.42 C ATOM 333 CG2 VAL A 22 56.866 7.144 22.216 1.00 16.01 C ATOM 0 H VAL A 22 59.230 6.421 22.342 1.00 17.47 H new ATOM 0 HA VAL A 22 58.594 8.515 23.942 1.00 15.85 H new ATOM 0 HB VAL A 22 57.151 5.830 23.871 1.00 14.89 H new ATOM 0 HG11 VAL A 22 55.117 7.165 24.285 1.00 8.42 H new ATOM 0 HG12 VAL A 22 56.295 7.320 25.610 1.00 8.42 H new ATOM 0 HG13 VAL A 22 56.116 8.631 24.421 1.00 8.42 H new ATOM 0 HG21 VAL A 22 55.872 6.765 21.980 1.00 16.01 H new ATOM 0 HG22 VAL A 22 56.906 8.213 22.005 1.00 16.01 H new ATOM 0 HG23 VAL A 22 57.606 6.626 21.606 1.00 16.01 H new ATOM 343 N GLY A 23 58.910 8.113 26.365 1.00 15.88 N ATOM 344 CA GLY A 23 59.166 7.913 27.781 1.00 17.17 C ATOM 345 C GLY A 23 60.559 8.341 28.212 1.00 18.82 C ATOM 346 O GLY A 23 60.798 8.550 29.403 1.00 17.98 O ATOM 0 H GLY A 23 58.779 9.086 26.090 1.00 15.88 H new ATOM 0 HA2 GLY A 23 58.428 8.471 28.358 1.00 17.17 H new ATOM 0 HA3 GLY A 23 59.028 6.859 28.022 1.00 17.17 H new ATOM 350 N GLU A 24 61.480 8.479 27.255 1.00 16.59 N ATOM 351 CA GLU A 24 62.852 8.871 27.568 1.00 15.26 C ATOM 352 C GLU A 24 62.968 10.369 27.829 1.00 15.26 C ATOM 353 O GLU A 24 62.172 11.164 27.333 1.00 13.41 O ATOM 354 CB GLU A 24 63.797 8.478 26.429 1.00 15.08 C ATOM 355 CG GLU A 24 63.921 6.976 26.219 1.00 12.07 C ATOM 356 CD GLU A 24 65.084 6.609 25.315 1.00 14.29 C ATOM 357 OE1 GLU A 24 65.073 7.016 24.134 1.00 15.06 O ATOM 358 OE2 GLU A 24 66.009 5.919 25.790 1.00 14.81 O ATOM 0 H GLU A 24 61.300 8.326 26.263 1.00 16.59 H new ATOM 0 HA GLU A 24 63.136 8.342 28.478 1.00 15.26 H new ATOM 0 HB2 GLU A 24 63.446 8.936 25.504 1.00 15.08 H new ATOM 0 HB3 GLU A 24 64.786 8.889 26.633 1.00 15.08 H new ATOM 0 HG2 GLU A 24 64.047 6.487 27.185 1.00 12.07 H new ATOM 0 HG3 GLU A 24 62.995 6.595 25.787 1.00 12.07 H new ATOM 365 N ILE A 25 63.971 10.740 28.620 1.00 15.57 N ATOM 366 CA ILE A 25 64.224 12.139 28.948 1.00 16.69 C ATOM 367 C ILE A 25 65.537 12.598 28.324 1.00 17.86 C ATOM 368 O ILE A 25 66.584 11.983 28.532 1.00 19.05 O ATOM 369 CB ILE A 25 64.262 12.384 30.475 1.00 17.79 C ATOM 370 CG1 ILE A 25 65.228 11.412 31.163 1.00 17.49 C ATOM 371 CG2 ILE A 25 62.862 12.258 31.063 1.00 15.26 C ATOM 372 CD1 ILE A 25 65.429 11.697 32.636 1.00 24.60 C ATOM 0 H ILE A 25 64.626 10.086 29.048 1.00 15.57 H new ATOM 0 HA ILE A 25 63.397 12.719 28.538 1.00 16.69 H new ATOM 0 HB ILE A 25 64.625 13.397 30.651 1.00 17.79 H new ATOM 0 HG12 ILE A 25 64.852 10.396 31.046 1.00 17.49 H new ATOM 0 HG13 ILE A 25 66.193 11.454 30.658 1.00 17.49 H new ATOM 0 HG21 ILE A 25 62.902 12.433 32.138 1.00 15.26 H new ATOM 0 HG22 ILE A 25 62.205 12.994 30.600 1.00 15.26 H new ATOM 0 HG23 ILE A 25 62.476 11.257 30.872 1.00 15.26 H new ATOM 0 HD11 ILE A 25 66.124 10.970 33.056 1.00 24.60 H new ATOM 0 HD12 ILE A 25 65.835 12.701 32.760 1.00 24.60 H new ATOM 0 HD13 ILE A 25 64.473 11.626 33.154 1.00 24.60 H new ATOM 384 N ILE A 26 65.475 13.686 27.560 1.00 17.28 N ATOM 385 CA ILE A 26 66.655 14.218 26.893 0.50 16.69 C ATOM 386 C ILE A 26 67.257 15.359 27.707 1.00 17.06 C ATOM 387 O ILE A 26 66.572 16.332 28.026 1.00 18.52 O ATOM 388 CB ILE A 26 66.340 14.716 25.467 0.50 17.01 C ATOM 389 CG1 ILE A 26 65.567 13.661 24.669 0.50 16.38 C ATOM 390 CG2 ILE A 26 67.629 15.081 24.747 0.50 14.54 C ATOM 391 CD1 ILE A 26 64.071 13.696 24.899 1.00 24.60 C ATOM 0 H ILE A 26 64.619 14.214 27.389 1.00 17.28 H new ATOM 0 HA ILE A 26 67.373 13.401 26.815 0.50 16.69 H new ATOM 0 HB ILE A 26 65.711 15.603 25.548 0.50 17.01 H new ATOM 0 HG12 ILE A 26 65.765 13.805 23.607 0.50 16.38 H new ATOM 0 HG13 ILE A 26 65.943 12.672 24.932 0.50 16.38 H new ATOM 0 HG21 ILE A 26 67.397 15.431 23.741 0.50 14.54 H new ATOM 0 HG22 ILE A 26 68.142 15.870 25.297 0.50 14.54 H new ATOM 0 HG23 ILE A 26 68.273 14.204 24.686 0.50 14.54 H new ATOM 0 HD11 ILE A 26 63.593 12.921 24.301 1.00 24.60 H new ATOM 0 HD12 ILE A 26 63.861 13.521 25.954 1.00 24.60 H new ATOM 0 HD13 ILE A 26 63.681 14.671 24.608 1.00 24.60 H new ATOM 403 N ARG A 27 68.541 15.235 28.035 1.00 18.57 N ATOM 404 CA ARG A 27 69.232 16.241 28.837 1.00 19.72 C ATOM 405 C ARG A 27 69.625 17.461 28.010 1.00 20.30 C ATOM 406 O ARG A 27 70.266 17.338 26.966 1.00 20.29 O ATOM 407 CB ARG A 27 70.477 15.633 29.490 1.00 20.00 C ATOM 408 CG ARG A 27 71.184 16.577 30.454 1.00 20.63 C ATOM 409 CD ARG A 27 72.424 15.936 31.062 1.00 21.55 C ATOM 410 NE ARG A 27 72.098 14.779 31.897 1.00 19.42 N ATOM 411 CZ ARG A 27 73.003 14.050 32.554 1.00 19.92 C ATOM 412 NH1 ARG A 27 74.297 14.357 32.489 1.00 18.94 N ATOM 413 NH2 ARG A 27 72.614 13.010 33.285 1.00 20.17 N ATOM 0 H ARG A 27 69.125 14.446 27.757 1.00 18.57 H new ATOM 0 HA ARG A 27 68.538 16.573 29.609 1.00 19.72 H new ATOM 0 HB2 ARG A 27 70.191 14.728 30.026 1.00 20.00 H new ATOM 0 HB3 ARG A 27 71.177 15.334 28.710 1.00 20.00 H new ATOM 0 HG2 ARG A 27 71.466 17.489 29.929 1.00 20.63 H new ATOM 0 HG3 ARG A 27 70.497 16.867 31.249 1.00 20.63 H new ATOM 0 HD2 ARG A 27 73.099 15.627 30.264 1.00 21.55 H new ATOM 0 HD3 ARG A 27 72.956 16.675 31.661 1.00 21.55 H new ATOM 0 HE ARG A 27 71.117 14.513 31.982 1.00 19.42 H new ATOM 0 HH11 ARG A 27 74.604 15.155 31.934 1.00 18.94 H new ATOM 0 HH12 ARG A 27 74.981 13.794 32.995 1.00 18.94 H new ATOM 0 HH21 ARG A 27 71.625 12.769 33.344 1.00 20.17 H new ATOM 0 HH22 ARG A 27 73.305 12.453 33.787 1.00 20.17 H new ATOM 427 N ASN A 28 69.236 18.641 28.499 1.00 21.66 N ATOM 428 CA ASN A 28 69.549 19.909 27.842 1.00 22.30 C ATOM 429 C ASN A 28 69.028 19.956 26.404 1.00 24.05 C ATOM 430 O ASN A 28 69.807 19.969 25.448 1.00 22.02 O ATOM 431 CB ASN A 28 71.064 20.163 27.872 1.00 22.17 C ATOM 432 CG ASN A 28 71.441 21.539 27.348 1.00 19.53 C ATOM 433 OD1 ASN A 28 70.694 22.505 27.506 1.00 22.18 O ATOM 434 ND2 ASN A 28 72.607 21.634 26.716 1.00 17.78 N ATOM 0 H ASN A 28 68.697 18.743 29.359 1.00 21.66 H new ATOM 0 HA ASN A 28 69.041 20.699 28.396 1.00 22.30 H new ATOM 0 HB2 ASN A 28 71.425 20.057 28.895 1.00 22.17 H new ATOM 0 HB3 ASN A 28 71.567 19.402 27.276 1.00 22.17 H new ATOM 0 HD21 ASN A 28 72.912 22.532 26.341 1.00 17.78 H new ATOM 0 HD22 ASN A 28 73.196 20.809 26.606 1.00 17.78 H new ATOM 441 N VAL A 29 67.705 19.970 26.262 1.00 24.67 N ATOM 442 CA VAL A 29 67.078 20.038 24.949 1.00 24.71 C ATOM 443 C VAL A 29 66.827 21.484 24.542 1.00 26.15 C ATOM 444 O VAL A 29 65.953 22.153 25.097 1.00 24.81 O ATOM 445 CB VAL A 29 65.748 19.259 24.910 1.00 24.09 C ATOM 446 CG1 VAL A 29 65.038 19.459 23.579 1.00 22.48 C ATOM 447 CG2 VAL A 29 65.998 17.785 25.169 1.00 22.75 C ATOM 0 H VAL A 29 67.048 19.935 27.042 1.00 24.67 H new ATOM 0 HA VAL A 29 67.770 19.577 24.244 1.00 24.71 H new ATOM 0 HB VAL A 29 65.099 19.646 25.695 1.00 24.09 H new ATOM 0 HG11 VAL A 29 64.103 18.899 23.578 1.00 22.48 H new ATOM 0 HG12 VAL A 29 64.827 20.519 23.435 1.00 22.48 H new ATOM 0 HG13 VAL A 29 65.675 19.103 22.770 1.00 22.48 H new ATOM 0 HG21 VAL A 29 65.052 17.245 25.139 1.00 22.75 H new ATOM 0 HG22 VAL A 29 66.666 17.389 24.404 1.00 22.75 H new ATOM 0 HG23 VAL A 29 66.456 17.661 26.150 1.00 22.75 H new ATOM 457 N LYS A 30 67.605 21.958 23.575 1.00 28.66 N ATOM 458 CA LYS A 30 67.477 23.324 23.089 1.00 30.94 C ATOM 459 C LYS A 30 66.925 23.347 21.671 1.00 30.52 C ATOM 460 O LYS A 30 66.870 22.318 20.996 1.00 28.63 O ATOM 461 CB LYS A 30 68.834 24.035 23.139 1.00 32.04 C ATOM 462 CG LYS A 30 69.379 24.208 24.551 1.00 36.67 C ATOM 463 CD LYS A 30 68.464 25.078 25.399 1.00 40.00 C ATOM 464 CE LYS A 30 68.962 25.181 26.833 1.00 40.13 C ATOM 465 NZ LYS A 30 68.073 26.034 27.671 1.00 42.51 N ATOM 0 H LYS A 30 68.333 21.413 23.112 1.00 28.66 H new ATOM 0 HA LYS A 30 66.777 23.851 23.737 1.00 30.94 H new ATOM 0 HB2 LYS A 30 69.554 23.469 22.547 1.00 32.04 H new ATOM 0 HB3 LYS A 30 68.739 25.015 22.672 1.00 32.04 H new ATOM 0 HG2 LYS A 30 69.492 23.231 25.021 1.00 36.67 H new ATOM 0 HG3 LYS A 30 70.371 24.657 24.507 1.00 36.67 H new ATOM 0 HD2 LYS A 30 68.401 26.075 24.962 1.00 40.00 H new ATOM 0 HD3 LYS A 30 67.456 24.663 25.392 1.00 40.00 H new ATOM 0 HE2 LYS A 30 69.023 24.184 27.268 1.00 40.13 H new ATOM 0 HE3 LYS A 30 69.971 25.594 26.838 1.00 40.13 H new ATOM 0 HZ1 LYS A 30 68.650 26.704 28.218 1.00 42.51 H new ATOM 0 HZ2 LYS A 30 67.418 26.561 27.058 1.00 42.51 H new ATOM 0 HZ3 LYS A 30 67.529 25.433 28.323 1.00 42.51 H new ATOM 479 N LYS A 31 66.518 24.530 21.225 1.00 31.66 N ATOM 480 CA LYS A 31 65.973 24.691 19.883 1.00 32.46 C ATOM 481 C LYS A 31 67.078 25.077 18.905 1.00 33.31 C ATOM 482 O LYS A 31 67.911 25.935 19.203 1.00 32.74 O ATOM 483 CB LYS A 31 64.863 25.746 19.875 1.00 31.76 C ATOM 484 CG LYS A 31 63.624 25.331 20.652 0.01 32.47 C ATOM 485 CD LYS A 31 62.567 26.423 20.644 0.01 32.64 C ATOM 486 CE LYS A 31 61.297 25.981 21.357 0.01 32.79 C ATOM 487 NZ LYS A 31 61.529 25.705 22.804 0.01 32.84 N ATOM 0 H LYS A 31 66.555 25.390 21.772 1.00 31.66 H new ATOM 0 HA LYS A 31 65.545 23.739 19.569 1.00 32.46 H new ATOM 0 HB2 LYS A 31 65.252 26.674 20.295 1.00 31.76 H new ATOM 0 HB3 LYS A 31 64.581 25.957 18.843 1.00 31.76 H new ATOM 0 HG2 LYS A 31 63.210 24.420 20.219 0.01 32.47 H new ATOM 0 HG3 LYS A 31 63.900 25.098 21.681 0.01 32.47 H new ATOM 0 HD2 LYS A 31 62.963 27.317 21.126 0.01 32.64 H new ATOM 0 HD3 LYS A 31 62.331 26.694 19.615 0.01 32.64 H new ATOM 0 HE2 LYS A 31 60.537 26.755 21.254 0.01 32.79 H new ATOM 0 HE3 LYS A 31 60.906 25.084 20.876 0.01 32.79 H new ATOM 0 HZ1 LYS A 31 60.637 25.407 23.248 0.01 32.84 H new ATOM 0 HZ2 LYS A 31 62.235 24.948 22.904 0.01 32.84 H new ATOM 0 HZ3 LYS A 31 61.877 26.567 23.270 0.01 32.84 H new ATOM 501 N LEU A 32 67.077 24.438 17.738 1.00 34.55 N ATOM 502 CA LEU A 32 68.086 24.703 16.718 1.00 36.08 C ATOM 503 C LEU A 32 67.574 25.710 15.691 1.00 37.71 C ATOM 504 O LEU A 32 66.459 26.222 15.811 1.00 36.52 O ATOM 505 CB LEU A 32 68.491 23.397 16.026 1.00 35.96 C ATOM 506 CG LEU A 32 69.164 22.363 16.933 1.00 33.75 C ATOM 507 CD1 LEU A 32 69.365 21.053 16.188 1.00 31.94 C ATOM 508 CD2 LEU A 32 70.494 22.893 17.451 1.00 31.78 C ATOM 0 H LEU A 32 66.388 23.733 17.476 1.00 34.55 H new ATOM 0 HA LEU A 32 68.961 25.132 17.206 1.00 36.08 H new ATOM 0 HB2 LEU A 32 67.602 22.947 15.585 1.00 35.96 H new ATOM 0 HB3 LEU A 32 69.169 23.634 15.206 1.00 35.96 H new ATOM 0 HG LEU A 32 68.513 22.177 17.787 1.00 33.75 H new ATOM 0 HD11 LEU A 32 69.844 20.329 16.847 1.00 31.94 H new ATOM 0 HD12 LEU A 32 68.398 20.666 15.866 1.00 31.94 H new ATOM 0 HD13 LEU A 32 69.996 21.223 15.316 1.00 31.94 H new ATOM 0 HD21 LEU A 32 70.958 22.145 18.094 1.00 31.78 H new ATOM 0 HD22 LEU A 32 71.153 23.107 16.610 1.00 31.78 H new ATOM 0 HD23 LEU A 32 70.324 23.806 18.021 1.00 31.78 H new ATOM 520 N GLN A 33 68.395 25.989 14.678 1.00 38.97 N ATOM 521 CA GLN A 33 68.018 26.930 13.625 1.00 39.78 C ATOM 522 C GLN A 33 67.126 26.262 12.573 1.00 39.42 C ATOM 523 O GLN A 33 66.705 26.909 11.611 1.00 39.85 O ATOM 524 CB GLN A 33 69.266 27.525 12.961 0.60 40.32 C ATOM 525 CG GLN A 33 70.127 26.501 12.235 0.60 40.38 C ATOM 526 CD GLN A 33 71.337 27.125 11.566 0.60 39.93 C ATOM 527 OE1 GLN A 33 71.276 27.535 10.405 0.60 39.55 O ATOM 528 NE2 GLN A 33 72.447 27.203 12.294 0.60 38.18 N ATOM 0 H GLN A 33 69.322 25.578 14.565 1.00 38.97 H new ATOM 0 HA GLN A 33 67.448 27.735 14.089 1.00 39.78 H new ATOM 0 HB2 GLN A 33 68.957 28.293 12.252 0.60 40.32 H new ATOM 0 HB3 GLN A 33 69.870 28.019 13.722 0.60 40.32 H new ATOM 0 HG2 GLN A 33 70.459 25.743 12.944 0.60 40.38 H new ATOM 0 HG3 GLN A 33 69.523 25.992 11.484 0.60 40.38 H new ATOM 0 HE21 GLN A 33 72.455 26.852 13.252 0.60 38.18 H new ATOM 0 HE22 GLN A 33 73.291 27.614 11.895 0.60 38.18 H new ATOM 537 N GLU A 34 66.838 24.970 12.761 1.00 38.54 N ATOM 538 CA GLU A 34 65.992 24.229 11.839 1.00 36.53 C ATOM 539 C GLU A 34 64.621 24.005 12.462 1.00 35.34 C ATOM 540 O GLU A 34 64.508 23.413 13.537 1.00 34.99 O ATOM 541 CB GLU A 34 66.636 22.889 11.478 1.00 37.22 C ATOM 542 CG GLU A 34 67.963 23.027 10.749 0.50 36.82 C ATOM 543 CD GLU A 34 68.667 21.696 10.569 0.50 36.76 C ATOM 544 OE1 GLU A 34 68.265 20.927 9.671 0.50 36.04 O ATOM 545 OE2 GLU A 34 69.620 21.423 11.328 0.50 37.76 O ATOM 0 H GLU A 34 67.183 24.420 13.548 1.00 38.54 H new ATOM 0 HA GLU A 34 65.876 24.811 10.924 1.00 36.53 H new ATOM 0 HB2 GLU A 34 66.791 22.312 12.390 1.00 37.22 H new ATOM 0 HB3 GLU A 34 65.946 22.320 10.854 1.00 37.22 H new ATOM 0 HG2 GLU A 34 67.792 23.479 9.772 0.50 36.82 H new ATOM 0 HG3 GLU A 34 68.611 23.705 11.305 0.50 36.82 H new ATOM 552 N GLU A 35 63.584 24.489 11.782 1.00 33.27 N ATOM 553 CA GLU A 35 62.216 24.352 12.271 0.50 31.92 C ATOM 554 C GLU A 35 61.842 22.881 12.427 1.00 30.55 C ATOM 555 O GLU A 35 61.828 22.127 11.451 1.00 32.49 O ATOM 556 CB GLU A 35 61.237 25.047 11.319 0.50 32.23 C ATOM 557 CG GLU A 35 59.789 24.995 11.783 0.50 32.26 C ATOM 558 CD GLU A 35 58.833 25.621 10.786 0.50 31.89 C ATOM 559 OE1 GLU A 35 58.361 24.900 9.881 0.50 31.33 O ATOM 560 OE2 GLU A 35 58.554 26.831 10.909 0.50 31.03 O ATOM 0 H GLU A 35 63.666 24.979 10.891 1.00 33.27 H new ATOM 0 HA GLU A 35 62.155 24.829 13.249 0.50 31.92 H new ATOM 0 HB2 GLU A 35 61.535 26.089 11.204 0.50 32.23 H new ATOM 0 HB3 GLU A 35 61.311 24.584 10.335 0.50 32.23 H new ATOM 0 HG2 GLU A 35 59.503 23.957 11.952 0.50 32.26 H new ATOM 0 HG3 GLU A 35 59.699 25.510 12.739 0.50 32.26 H new ATOM 567 N GLY A 36 61.545 22.480 13.662 1.00 28.28 N ATOM 568 CA GLY A 36 61.174 21.103 13.932 1.00 24.78 C ATOM 569 C GLY A 36 62.347 20.244 14.366 1.00 23.68 C ATOM 570 O GLY A 36 62.228 19.020 14.421 1.00 23.56 O ATOM 0 H GLY A 36 61.555 23.087 14.481 1.00 28.28 H new ATOM 0 HA2 GLY A 36 60.411 21.085 14.710 1.00 24.78 H new ATOM 0 HA3 GLY A 36 60.727 20.671 13.037 1.00 24.78 H new ATOM 574 N TRP A 37 63.483 20.876 14.667 1.00 23.14 N ATOM 575 CA TRP A 37 64.668 20.148 15.095 1.00 20.93 C ATOM 576 C TRP A 37 65.253 20.751 16.366 1.00 21.08 C ATOM 577 O TRP A 37 65.488 21.959 16.450 1.00 21.30 O ATOM 578 CB TRP A 37 65.712 20.133 13.977 1.00 20.40 C ATOM 579 CG TRP A 37 65.293 19.315 12.793 1.00 20.90 C ATOM 580 CD1 TRP A 37 65.106 19.753 11.514 1.00 20.96 C ATOM 581 CD2 TRP A 37 64.995 17.913 12.783 1.00 19.62 C ATOM 582 NE1 TRP A 37 64.717 18.710 10.709 1.00 18.59 N ATOM 583 CE2 TRP A 37 64.641 17.570 11.465 1.00 19.33 C ATOM 584 CE3 TRP A 37 64.997 16.915 13.761 1.00 18.84 C ATOM 585 CZ2 TRP A 37 64.291 16.271 11.102 1.00 17.78 C ATOM 586 CZ3 TRP A 37 64.650 15.628 13.400 1.00 19.33 C ATOM 587 CH2 TRP A 37 64.301 15.316 12.081 1.00 21.05 C ATOM 0 H TRP A 37 63.602 21.888 14.621 1.00 23.14 H new ATOM 0 HA TRP A 37 64.376 19.121 15.316 1.00 20.93 H new ATOM 0 HB2 TRP A 37 65.905 21.156 13.654 1.00 20.40 H new ATOM 0 HB3 TRP A 37 66.650 19.740 14.369 1.00 20.40 H new ATOM 0 HD1 TRP A 37 65.244 20.772 11.183 1.00 20.96 H new ATOM 0 HE1 TRP A 37 64.517 18.774 9.711 1.00 18.59 H new ATOM 0 HE3 TRP A 37 65.265 17.146 14.781 1.00 18.84 H new ATOM 0 HZ2 TRP A 37 64.022 16.027 10.085 1.00 17.78 H new ATOM 0 HZ3 TRP A 37 64.648 14.849 14.148 1.00 19.33 H new ATOM 0 HH2 TRP A 37 64.034 14.300 11.831 1.00 21.05 H new ATOM 598 N LEU A 38 65.485 19.888 17.350 1.00 21.83 N ATOM 599 CA LEU A 38 66.043 20.299 18.634 1.00 21.88 C ATOM 600 C LEU A 38 67.343 19.551 18.900 1.00 22.72 C ATOM 601 O LEU A 38 67.669 18.596 18.201 1.00 23.91 O ATOM 602 CB LEU A 38 65.042 20.039 19.766 1.00 21.21 C ATOM 603 CG LEU A 38 63.851 21.002 19.823 1.00 20.69 C ATOM 604 CD1 LEU A 38 62.910 20.772 18.649 1.00 18.49 C ATOM 605 CD2 LEU A 38 63.106 20.850 21.140 1.00 18.88 C ATOM 0 H LEU A 38 65.293 18.889 17.281 1.00 21.83 H new ATOM 0 HA LEU A 38 66.249 21.369 18.597 1.00 21.88 H new ATOM 0 HB2 LEU A 38 64.661 19.023 19.666 1.00 21.21 H new ATOM 0 HB3 LEU A 38 65.573 20.088 20.717 1.00 21.21 H new ATOM 0 HG LEU A 38 64.234 22.020 19.756 1.00 20.69 H new ATOM 0 HD11 LEU A 38 62.073 21.467 18.712 1.00 18.49 H new ATOM 0 HD12 LEU A 38 63.447 20.935 17.715 1.00 18.49 H new ATOM 0 HD13 LEU A 38 62.535 19.749 18.678 1.00 18.49 H new ATOM 0 HD21 LEU A 38 62.264 21.541 21.163 1.00 18.88 H new ATOM 0 HD22 LEU A 38 62.739 19.828 21.235 1.00 18.88 H new ATOM 0 HD23 LEU A 38 63.780 21.072 21.967 1.00 18.88 H new ATOM 617 N GLU A 39 68.081 19.988 19.914 1.00 21.79 N ATOM 618 CA GLU A 39 69.354 19.359 20.265 1.00 23.86 C ATOM 619 C GLU A 39 69.382 18.975 21.742 1.00 21.01 C ATOM 620 O GLU A 39 69.207 19.827 22.614 1.00 19.88 O ATOM 621 CB GLU A 39 70.514 20.307 19.944 1.00 25.80 C ATOM 622 CG GLU A 39 71.888 19.669 20.075 1.00 33.40 C ATOM 623 CD GLU A 39 72.098 18.530 19.094 1.00 39.01 C ATOM 624 OE1 GLU A 39 72.369 18.810 17.908 1.00 43.40 O ATOM 625 OE2 GLU A 39 71.993 17.361 19.514 1.00 41.93 O ATOM 0 H GLU A 39 67.822 20.775 20.509 1.00 21.79 H new ATOM 0 HA GLU A 39 69.462 18.450 19.674 1.00 23.86 H new ATOM 0 HB2 GLU A 39 70.394 20.681 18.927 1.00 25.80 H new ATOM 0 HB3 GLU A 39 70.460 21.169 20.609 1.00 25.80 H new ATOM 0 HG2 GLU A 39 72.654 20.428 19.914 1.00 33.40 H new ATOM 0 HG3 GLU A 39 72.016 19.297 21.091 1.00 33.40 H new ATOM 632 N GLY A 40 69.614 17.689 22.016 1.00 18.22 N ATOM 633 CA GLY A 40 69.654 17.220 23.393 1.00 20.08 C ATOM 634 C GLY A 40 70.473 15.956 23.576 1.00 18.70 C ATOM 635 O GLY A 40 70.770 15.248 22.612 1.00 18.64 O ATOM 0 H GLY A 40 69.774 16.968 21.312 1.00 18.22 H new ATOM 0 HA2 GLY A 40 70.067 18.006 24.025 1.00 20.08 H new ATOM 0 HA3 GLY A 40 68.636 17.037 23.736 1.00 20.08 H new ATOM 639 N GLU A 41 70.830 15.676 24.829 1.00 18.96 N ATOM 640 CA GLU A 41 71.620 14.498 25.174 1.00 20.96 C ATOM 641 C GLU A 41 70.722 13.361 25.654 1.00 20.09 C ATOM 642 O GLU A 41 70.222 13.383 26.781 1.00 19.27 O ATOM 643 CB GLU A 41 72.641 14.846 26.260 1.00 22.24 C ATOM 644 CG GLU A 41 73.518 16.041 25.919 1.00 26.27 C ATOM 645 CD GLU A 41 74.228 16.605 27.134 1.00 30.19 C ATOM 646 OE1 GLU A 41 73.609 17.412 27.861 1.00 29.05 O ATOM 647 OE2 GLU A 41 75.399 16.238 27.361 1.00 32.10 O ATOM 0 H GLU A 41 70.580 16.257 25.629 1.00 18.96 H new ATOM 0 HA GLU A 41 72.146 14.169 24.278 1.00 20.96 H new ATOM 0 HB2 GLU A 41 72.112 15.050 27.191 1.00 22.24 H new ATOM 0 HB3 GLU A 41 73.278 13.979 26.438 1.00 22.24 H new ATOM 0 HG2 GLU A 41 74.257 15.744 25.175 1.00 26.27 H new ATOM 0 HG3 GLU A 41 72.905 16.820 25.466 1.00 26.27 H new ATOM 654 N LEU A 42 70.521 12.372 24.789 1.00 19.56 N ATOM 655 CA LEU A 42 69.691 11.220 25.117 1.00 21.20 C ATOM 656 C LEU A 42 70.443 9.929 24.838 1.00 22.89 C ATOM 657 O LEU A 42 71.127 9.807 23.821 1.00 22.08 O ATOM 658 CB LEU A 42 68.377 11.241 24.331 1.00 18.58 C ATOM 659 CG LEU A 42 67.383 10.141 24.716 1.00 15.91 C ATOM 660 CD1 LEU A 42 66.927 10.309 26.157 1.00 15.01 C ATOM 661 CD2 LEU A 42 66.190 10.140 23.774 1.00 17.47 C ATOM 0 H LEU A 42 70.924 12.346 23.852 1.00 19.56 H new ATOM 0 HA LEU A 42 69.453 11.272 26.179 1.00 21.20 H new ATOM 0 HB2 LEU A 42 67.899 12.210 24.475 1.00 18.58 H new ATOM 0 HB3 LEU A 42 68.604 11.151 23.269 1.00 18.58 H new ATOM 0 HG LEU A 42 67.889 9.180 24.627 1.00 15.91 H new ATOM 0 HD11 LEU A 42 66.222 9.518 26.410 1.00 15.01 H new ATOM 0 HD12 LEU A 42 67.790 10.252 26.821 1.00 15.01 H new ATOM 0 HD13 LEU A 42 66.442 11.278 26.275 1.00 15.01 H new ATOM 0 HD21 LEU A 42 65.497 9.351 24.066 1.00 17.47 H new ATOM 0 HD22 LEU A 42 65.685 11.104 23.826 1.00 17.47 H new ATOM 0 HD23 LEU A 42 66.532 9.964 22.754 1.00 17.47 H new ATOM 673 N ASN A 43 70.309 8.970 25.750 1.00 25.48 N ATOM 674 CA ASN A 43 70.984 7.681 25.623 1.00 26.38 C ATOM 675 C ASN A 43 72.508 7.847 25.658 1.00 29.40 C ATOM 676 O ASN A 43 73.244 6.979 25.182 1.00 30.74 O ATOM 677 CB ASN A 43 70.555 6.966 24.336 1.00 24.64 C ATOM 678 CG ASN A 43 69.125 6.461 24.400 0.50 23.85 C ATOM 679 OD1 ASN A 43 68.194 7.140 23.969 0.50 20.08 O ATOM 680 ND2 ASN A 43 68.944 5.261 24.944 0.50 21.91 N ATOM 0 H ASN A 43 69.736 9.062 26.589 1.00 25.48 H new ATOM 0 HA ASN A 43 70.690 7.068 26.475 1.00 26.38 H new ATOM 0 HB2 ASN A 43 70.658 7.649 23.493 1.00 24.64 H new ATOM 0 HB3 ASN A 43 71.225 6.127 24.150 1.00 24.64 H new ATOM 0 HD21 ASN A 43 68.005 4.870 25.016 0.50 21.91 H new ATOM 0 HD22 ASN A 43 69.745 4.731 25.289 0.50 21.91 H new ATOM 687 N GLY A 44 72.980 8.963 26.230 1.00 31.47 N ATOM 688 CA GLY A 44 74.408 9.209 26.324 1.00 32.96 C ATOM 689 C GLY A 44 74.999 9.818 25.070 1.00 33.01 C ATOM 690 O GLY A 44 76.221 9.862 24.916 1.00 32.58 O ATOM 0 H GLY A 44 72.394 9.697 26.628 1.00 31.47 H new ATOM 0 HA2 GLY A 44 74.600 9.874 27.166 1.00 32.96 H new ATOM 0 HA3 GLY A 44 74.917 8.269 26.537 1.00 32.96 H new ATOM 694 N ARG A 45 74.139 10.287 24.172 1.00 32.71 N ATOM 695 CA ARG A 45 74.586 10.900 22.935 1.00 32.86 C ATOM 696 C ARG A 45 73.805 12.175 22.660 1.00 31.58 C ATOM 697 O ARG A 45 72.611 12.260 22.954 1.00 31.44 O ATOM 698 CB ARG A 45 74.426 9.927 21.760 1.00 33.41 C ATOM 699 CG ARG A 45 73.007 9.402 21.587 1.00 36.02 C ATOM 700 CD ARG A 45 72.753 8.933 20.164 1.00 39.71 C ATOM 701 NE ARG A 45 72.776 10.042 19.210 1.00 41.97 N ATOM 702 CZ ARG A 45 72.751 9.891 17.884 1.00 44.26 C ATOM 703 NH1 ARG A 45 72.692 8.677 17.342 1.00 45.68 N ATOM 704 NH2 ARG A 45 72.782 10.960 17.098 1.00 44.83 N ATOM 0 H ARG A 45 73.126 10.252 24.282 1.00 32.71 H new ATOM 0 HA ARG A 45 75.642 11.149 23.043 1.00 32.86 H new ATOM 0 HB2 ARG A 45 74.733 10.427 20.842 1.00 33.41 H new ATOM 0 HB3 ARG A 45 75.101 9.083 21.904 1.00 33.41 H new ATOM 0 HG2 ARG A 45 72.837 8.577 22.278 1.00 36.02 H new ATOM 0 HG3 ARG A 45 72.295 10.186 21.845 1.00 36.02 H new ATOM 0 HD2 ARG A 45 73.508 8.198 19.884 1.00 39.71 H new ATOM 0 HD3 ARG A 45 71.786 8.432 20.114 1.00 39.71 H new ATOM 0 HE ARG A 45 72.814 10.991 19.582 1.00 41.97 H new ATOM 0 HH11 ARG A 45 72.665 7.852 17.941 1.00 45.68 H new ATOM 0 HH12 ARG A 45 72.673 8.572 16.328 1.00 45.68 H new ATOM 0 HH21 ARG A 45 72.825 11.893 17.508 1.00 44.83 H new ATOM 0 HH22 ARG A 45 72.763 10.848 16.084 1.00 44.83 H new ATOM 718 N ARG A 46 74.480 13.163 22.088 1.00 29.31 N ATOM 719 CA ARG A 46 73.839 14.424 21.760 1.00 28.15 C ATOM 720 C ARG A 46 73.329 14.341 20.330 1.00 25.89 C ATOM 721 O ARG A 46 74.123 14.245 19.390 1.00 24.31 O ATOM 722 CB ARG A 46 74.815 15.593 21.916 1.00 29.02 C ATOM 723 CG ARG A 46 74.133 16.951 21.971 1.00 33.26 C ATOM 724 CD ARG A 46 74.967 18.027 21.293 1.00 34.98 C ATOM 725 NE ARG A 46 75.092 17.803 19.852 1.00 37.59 N ATOM 726 CZ ARG A 46 75.561 18.709 18.990 1.00 37.81 C ATOM 727 NH1 ARG A 46 75.954 19.908 19.414 1.00 35.42 N ATOM 728 NH2 ARG A 46 75.636 18.415 17.696 1.00 38.71 N ATOM 0 H ARG A 46 75.469 13.114 21.843 1.00 29.31 H new ATOM 0 HA ARG A 46 73.009 14.602 22.444 1.00 28.15 H new ATOM 0 HB2 ARG A 46 75.397 15.451 22.827 1.00 29.02 H new ATOM 0 HB3 ARG A 46 75.518 15.582 21.083 1.00 29.02 H new ATOM 0 HG2 ARG A 46 73.158 16.888 21.488 1.00 33.26 H new ATOM 0 HG3 ARG A 46 73.957 17.228 23.010 1.00 33.26 H new ATOM 0 HD2 ARG A 46 74.512 19.002 21.469 1.00 34.98 H new ATOM 0 HD3 ARG A 46 75.960 18.052 21.743 1.00 34.98 H new ATOM 0 HE ARG A 46 74.803 16.897 19.483 1.00 37.59 H new ATOM 0 HH11 ARG A 46 75.898 20.142 20.405 1.00 35.42 H new ATOM 0 HH12 ARG A 46 76.311 20.593 18.748 1.00 35.42 H new ATOM 0 HH21 ARG A 46 75.336 17.499 17.363 1.00 38.71 H new ATOM 0 HH22 ARG A 46 75.994 19.105 17.036 1.00 38.71 H new ATOM 742 N GLY A 47 72.012 14.377 20.161 1.00 23.54 N ATOM 743 CA GLY A 47 71.454 14.255 18.832 1.00 20.18 C ATOM 744 C GLY A 47 70.242 15.120 18.585 1.00 18.28 C ATOM 745 O GLY A 47 69.520 15.490 19.512 1.00 15.10 O ATOM 0 H GLY A 47 71.330 14.487 20.912 1.00 23.54 H new ATOM 0 HA2 GLY A 47 72.223 14.511 18.103 1.00 20.18 H new ATOM 0 HA3 GLY A 47 71.184 13.213 18.658 1.00 20.18 H new ATOM 749 N MET A 48 70.037 15.443 17.315 1.00 19.75 N ATOM 750 CA MET A 48 68.911 16.255 16.891 1.00 24.37 C ATOM 751 C MET A 48 67.659 15.393 16.768 1.00 21.67 C ATOM 752 O MET A 48 67.716 14.276 16.255 1.00 23.42 O ATOM 753 CB MET A 48 69.232 16.924 15.552 1.00 23.84 C ATOM 754 CG MET A 48 68.144 17.851 15.037 1.00 29.41 C ATOM 755 SD MET A 48 68.404 18.326 13.316 1.00 32.83 S ATOM 756 CE MET A 48 70.044 19.040 13.400 1.00 33.81 C ATOM 0 H MET A 48 70.647 15.148 16.553 1.00 19.75 H new ATOM 0 HA MET A 48 68.726 17.028 17.637 1.00 24.37 H new ATOM 0 HB2 MET A 48 70.157 17.491 15.656 1.00 23.84 H new ATOM 0 HB3 MET A 48 69.415 16.149 14.807 1.00 23.84 H new ATOM 0 HG2 MET A 48 67.176 17.359 15.133 1.00 29.41 H new ATOM 0 HG3 MET A 48 68.110 18.747 15.657 1.00 29.41 H new ATOM 0 HE1 MET A 48 69.971 20.126 13.342 1.00 33.81 H new ATOM 0 HE2 MET A 48 70.516 18.758 14.341 1.00 33.81 H new ATOM 0 HE3 MET A 48 70.644 18.672 12.568 1.00 33.81 H new ATOM 766 N PHE A 49 66.531 15.917 17.238 1.00 19.37 N ATOM 767 CA PHE A 49 65.268 15.183 17.188 1.00 19.28 C ATOM 768 C PHE A 49 64.105 16.108 16.838 1.00 17.06 C ATOM 769 O PHE A 49 64.198 17.326 17.001 1.00 14.70 O ATOM 770 CB PHE A 49 65.003 14.483 18.526 1.00 18.38 C ATOM 771 CG PHE A 49 65.448 15.281 19.718 1.00 19.54 C ATOM 772 CD1 PHE A 49 64.682 16.333 20.192 1.00 21.48 C ATOM 773 CD2 PHE A 49 66.640 14.984 20.355 1.00 18.95 C ATOM 774 CE1 PHE A 49 65.098 17.072 21.282 1.00 20.51 C ATOM 775 CE2 PHE A 49 67.060 15.718 21.445 1.00 17.87 C ATOM 776 CZ PHE A 49 66.289 16.765 21.908 1.00 18.61 C ATOM 0 H PHE A 49 66.464 16.845 17.657 1.00 19.37 H new ATOM 0 HA PHE A 49 65.350 14.430 16.404 1.00 19.28 H new ATOM 0 HB2 PHE A 49 63.936 14.277 18.614 1.00 18.38 H new ATOM 0 HB3 PHE A 49 65.515 13.521 18.531 1.00 18.38 H new ATOM 0 HD1 PHE A 49 63.750 16.578 19.704 1.00 21.48 H new ATOM 0 HD2 PHE A 49 67.249 14.168 19.995 1.00 18.95 H new ATOM 0 HE1 PHE A 49 64.492 17.889 21.644 1.00 20.51 H new ATOM 0 HE2 PHE A 49 67.991 15.474 21.935 1.00 17.87 H new ATOM 0 HZ PHE A 49 66.617 17.343 22.759 1.00 18.61 H new ATOM 786 N PRO A 50 62.988 15.532 16.354 1.00 18.64 N ATOM 787 CA PRO A 50 61.801 16.304 15.970 1.00 17.68 C ATOM 788 C PRO A 50 61.198 17.086 17.138 1.00 17.04 C ATOM 789 O PRO A 50 61.224 16.634 18.285 1.00 17.64 O ATOM 790 CB PRO A 50 60.815 15.242 15.472 1.00 18.09 C ATOM 791 CG PRO A 50 61.650 14.046 15.168 1.00 15.45 C ATOM 792 CD PRO A 50 62.796 14.089 16.135 1.00 16.48 C ATOM 0 HA PRO A 50 62.045 17.059 15.223 1.00 17.68 H new ATOM 0 HB2 PRO A 50 60.064 15.016 16.229 1.00 18.09 H new ATOM 0 HB3 PRO A 50 60.281 15.585 14.586 1.00 18.09 H new ATOM 0 HG2 PRO A 50 61.074 13.128 15.285 1.00 15.45 H new ATOM 0 HG3 PRO A 50 62.007 14.070 14.138 1.00 15.45 H new ATOM 0 HD2 PRO A 50 62.561 13.567 17.063 1.00 16.48 H new ATOM 0 HD3 PRO A 50 63.690 13.620 15.723 1.00 16.48 H new ATOM 800 N ASP A 51 60.653 18.263 16.827 1.00 18.08 N ATOM 801 CA ASP A 51 60.039 19.129 17.834 1.00 21.32 C ATOM 802 C ASP A 51 58.762 18.516 18.416 1.00 20.86 C ATOM 803 O ASP A 51 58.507 18.637 19.614 1.00 22.92 O ATOM 804 CB ASP A 51 59.730 20.505 17.231 1.00 20.97 C ATOM 805 CG ASP A 51 59.053 21.440 18.217 1.00 24.99 C ATOM 806 OD1 ASP A 51 59.765 22.057 19.038 1.00 24.50 O ATOM 807 OD2 ASP A 51 57.810 21.553 18.170 1.00 25.32 O ATOM 0 H ASP A 51 60.625 18.640 15.880 1.00 18.08 H new ATOM 0 HA ASP A 51 60.754 19.239 18.649 1.00 21.32 H new ATOM 0 HB2 ASP A 51 60.657 20.961 16.883 1.00 20.97 H new ATOM 0 HB3 ASP A 51 59.089 20.379 16.358 1.00 20.97 H new ATOM 812 N ASN A 52 57.967 17.858 17.568 1.00 21.11 N ATOM 813 CA ASN A 52 56.716 17.242 18.016 1.00 22.93 C ATOM 814 C ASN A 52 56.929 15.827 18.578 1.00 22.66 C ATOM 815 O ASN A 52 55.962 15.113 18.850 1.00 22.72 O ATOM 816 CB ASN A 52 55.696 17.212 16.871 1.00 22.50 C ATOM 817 CG ASN A 52 56.099 16.277 15.743 1.00 24.81 C ATOM 818 OD1 ASN A 52 56.851 16.656 14.846 1.00 25.56 O ATOM 819 ND2 ASN A 52 55.590 15.049 15.779 1.00 22.94 N ATOM 0 H ASN A 52 58.165 17.739 16.575 1.00 21.11 H new ATOM 0 HA ASN A 52 56.328 17.856 18.829 1.00 22.93 H new ATOM 0 HB2 ASN A 52 54.727 16.903 17.263 1.00 22.50 H new ATOM 0 HB3 ASN A 52 55.573 18.220 16.474 1.00 22.50 H new ATOM 0 HD21 ASN A 52 55.820 14.380 15.044 1.00 22.94 H new ATOM 0 HD22 ASN A 52 54.970 14.776 16.542 1.00 22.94 H new ATOM 826 N PHE A 53 58.191 15.432 18.764 1.00 21.55 N ATOM 827 CA PHE A 53 58.517 14.114 19.304 1.00 20.71 C ATOM 828 C PHE A 53 58.973 14.231 20.757 1.00 21.87 C ATOM 829 O PHE A 53 58.887 13.270 21.518 1.00 21.91 O ATOM 830 CB PHE A 53 59.599 13.435 18.461 1.00 20.11 C ATOM 831 CG PHE A 53 59.057 12.702 17.263 1.00 19.57 C ATOM 832 CD1 PHE A 53 58.375 13.378 16.264 1.00 17.93 C ATOM 833 CD2 PHE A 53 59.230 11.332 17.140 1.00 17.81 C ATOM 834 CE1 PHE A 53 57.877 12.703 15.167 1.00 17.12 C ATOM 835 CE2 PHE A 53 58.733 10.653 16.045 1.00 15.91 C ATOM 836 CZ PHE A 53 58.056 11.340 15.057 1.00 18.05 C ATOM 0 H PHE A 53 59.004 16.009 18.547 1.00 21.55 H new ATOM 0 HA PHE A 53 57.618 13.499 19.268 1.00 20.71 H new ATOM 0 HB2 PHE A 53 60.311 14.188 18.124 1.00 20.11 H new ATOM 0 HB3 PHE A 53 60.149 12.733 19.088 1.00 20.11 H new ATOM 0 HD1 PHE A 53 58.231 14.445 16.344 1.00 17.93 H new ATOM 0 HD2 PHE A 53 59.759 10.790 17.909 1.00 17.81 H new ATOM 0 HE1 PHE A 53 57.348 13.242 14.395 1.00 17.12 H new ATOM 0 HE2 PHE A 53 58.874 9.585 15.962 1.00 15.91 H new ATOM 0 HZ PHE A 53 57.667 10.811 14.199 1.00 18.05 H new ATOM 846 N VAL A 54 59.479 15.411 21.123 1.00 20.47 N ATOM 847 CA VAL A 54 59.919 15.676 22.484 1.00 19.01 C ATOM 848 C VAL A 54 59.045 16.761 23.112 1.00 19.31 C ATOM 849 O VAL A 54 58.715 17.756 22.462 1.00 17.80 O ATOM 850 CB VAL A 54 61.400 16.113 22.539 1.00 19.69 C ATOM 851 CG1 VAL A 54 62.312 14.963 22.140 1.00 15.47 C ATOM 852 CG2 VAL A 54 61.643 17.329 21.651 1.00 16.35 C ATOM 0 H VAL A 54 59.592 16.200 20.486 1.00 20.47 H new ATOM 0 HA VAL A 54 59.823 14.746 23.045 1.00 19.01 H new ATOM 0 HB VAL A 54 61.633 16.395 23.566 1.00 19.69 H new ATOM 0 HG11 VAL A 54 63.351 15.290 22.185 1.00 15.47 H new ATOM 0 HG12 VAL A 54 62.165 14.128 22.824 1.00 15.47 H new ATOM 0 HG13 VAL A 54 62.075 14.646 21.124 1.00 15.47 H new ATOM 0 HG21 VAL A 54 62.693 17.617 21.707 1.00 16.35 H new ATOM 0 HG22 VAL A 54 61.389 17.083 20.620 1.00 16.35 H new ATOM 0 HG23 VAL A 54 61.021 18.157 21.990 1.00 16.35 H new ATOM 862 N LYS A 55 58.673 16.564 24.370 1.00 19.27 N ATOM 863 CA LYS A 55 57.830 17.519 25.080 1.00 21.49 C ATOM 864 C LYS A 55 58.587 18.135 26.252 1.00 23.86 C ATOM 865 O LYS A 55 59.092 17.420 27.117 1.00 23.57 O ATOM 866 CB LYS A 55 56.554 16.831 25.576 1.00 21.82 C ATOM 867 CG LYS A 55 55.636 17.738 26.382 1.00 22.17 C ATOM 868 CD LYS A 55 55.135 18.911 25.555 1.00 20.83 C ATOM 869 CE LYS A 55 54.235 19.824 26.372 1.00 24.52 C ATOM 870 NZ LYS A 55 53.739 20.981 25.576 1.00 24.40 N ATOM 0 H LYS A 55 58.942 15.749 24.922 1.00 19.27 H new ATOM 0 HA LYS A 55 57.555 18.317 24.390 1.00 21.49 H new ATOM 0 HB2 LYS A 55 56.004 16.445 24.718 1.00 21.82 H new ATOM 0 HB3 LYS A 55 56.831 15.973 26.189 1.00 21.82 H new ATOM 0 HG2 LYS A 55 54.786 17.162 26.749 1.00 22.17 H new ATOM 0 HG3 LYS A 55 56.169 18.111 27.256 1.00 22.17 H new ATOM 0 HD2 LYS A 55 55.984 19.480 25.176 1.00 20.83 H new ATOM 0 HD3 LYS A 55 54.588 18.539 24.688 1.00 20.83 H new ATOM 0 HE2 LYS A 55 53.386 19.253 26.748 1.00 24.52 H new ATOM 0 HE3 LYS A 55 54.783 20.190 27.240 1.00 24.52 H new ATOM 0 HZ1 LYS A 55 53.130 21.577 26.172 1.00 24.40 H new ATOM 0 HZ2 LYS A 55 54.547 21.542 25.238 1.00 24.40 H new ATOM 0 HZ3 LYS A 55 53.194 20.634 24.761 1.00 24.40 H new ATOM 884 N GLU A 56 58.664 19.464 26.272 1.00 24.78 N ATOM 885 CA GLU A 56 59.360 20.171 27.342 1.00 27.68 C ATOM 886 C GLU A 56 58.795 19.777 28.705 1.00 27.45 C ATOM 887 O GLU A 56 57.578 19.766 28.900 1.00 29.34 O ATOM 888 CB GLU A 56 59.246 21.685 27.150 1.00 29.40 C ATOM 889 CG GLU A 56 60.096 22.486 28.125 1.00 32.23 C ATOM 890 CD GLU A 56 60.021 23.980 27.877 1.00 32.36 C ATOM 891 OE1 GLU A 56 60.820 24.488 27.063 1.00 34.64 O ATOM 892 OE2 GLU A 56 59.164 24.641 28.502 1.00 36.50 O ATOM 0 H GLU A 56 58.254 20.070 25.561 1.00 24.78 H new ATOM 0 HA GLU A 56 60.412 19.889 27.303 1.00 27.68 H new ATOM 0 HB2 GLU A 56 59.541 21.937 26.131 1.00 29.40 H new ATOM 0 HB3 GLU A 56 58.203 21.980 27.262 1.00 29.40 H new ATOM 0 HG2 GLU A 56 59.770 22.274 29.143 1.00 32.23 H new ATOM 0 HG3 GLU A 56 61.134 22.161 28.048 1.00 32.23 H new ATOM 899 N ILE A 57 59.684 19.457 29.642 1.00 28.44 N ATOM 900 CA ILE A 57 59.268 19.060 30.982 1.00 27.11 C ATOM 901 C ILE A 57 59.249 20.272 31.915 1.00 29.50 C ATOM 902 O ILE A 57 60.149 20.459 32.739 1.00 28.05 O ATOM 903 CB ILE A 57 60.189 17.962 31.566 1.00 26.77 C ATOM 904 CG1 ILE A 57 60.330 16.801 30.575 1.00 25.02 C ATOM 905 CG2 ILE A 57 59.643 17.463 32.899 1.00 23.48 C ATOM 906 CD1 ILE A 57 61.274 15.714 31.041 1.00 24.60 C ATOM 0 H ILE A 57 60.694 19.465 29.498 1.00 28.44 H new ATOM 0 HA ILE A 57 58.262 18.648 30.903 1.00 27.11 H new ATOM 0 HB ILE A 57 61.176 18.392 31.737 1.00 26.77 H new ATOM 0 HG12 ILE A 57 59.347 16.365 30.398 1.00 25.02 H new ATOM 0 HG13 ILE A 57 60.682 17.191 29.620 1.00 25.02 H new ATOM 0 HG21 ILE A 57 60.302 16.691 33.296 1.00 23.48 H new ATOM 0 HG22 ILE A 57 59.590 18.293 33.604 1.00 23.48 H new ATOM 0 HG23 ILE A 57 58.646 17.048 32.751 1.00 23.48 H new ATOM 0 HD11 ILE A 57 61.322 14.927 30.288 1.00 24.60 H new ATOM 0 HD12 ILE A 57 62.268 16.135 31.190 1.00 24.60 H new ATOM 0 HD13 ILE A 57 60.912 15.296 31.980 1.00 24.60 H new ATOM 918 N LYS A 58 58.221 21.106 31.758 1.00 30.67 N ATOM 919 CA LYS A 58 58.069 22.308 32.575 1.00 34.32 C ATOM 920 C LYS A 58 57.568 21.955 33.976 1.00 33.94 C ATOM 921 O LYS A 58 56.381 21.586 34.111 1.00 34.32 O ATOM 922 CB LYS A 58 57.112 23.295 31.895 1.00 33.25 C ATOM 923 CG LYS A 58 56.976 24.620 32.632 1.00 34.92 C ATOM 924 CD LYS A 58 56.049 25.580 31.898 1.00 37.93 C ATOM 925 CE LYS A 58 56.615 25.997 30.546 1.00 41.50 C ATOM 926 NZ LYS A 58 57.895 26.748 30.679 1.00 44.29 N ATOM 927 OXT LYS A 58 58.371 22.051 34.928 1.00 24.60 O ATOM 0 H LYS A 58 57.480 20.970 31.070 1.00 30.67 H new ATOM 0 HA LYS A 58 59.046 22.781 32.674 1.00 34.32 H new ATOM 0 HB2 LYS A 58 57.462 23.487 30.881 1.00 33.25 H new ATOM 0 HB3 LYS A 58 56.128 22.834 31.810 1.00 33.25 H new ATOM 0 HG2 LYS A 58 56.592 24.440 33.636 1.00 34.92 H new ATOM 0 HG3 LYS A 58 57.959 25.077 32.743 1.00 34.92 H new ATOM 0 HD2 LYS A 58 55.077 25.107 31.754 1.00 37.93 H new ATOM 0 HD3 LYS A 58 55.885 26.466 32.511 1.00 37.93 H new ATOM 0 HE2 LYS A 58 56.778 25.110 29.933 1.00 41.50 H new ATOM 0 HE3 LYS A 58 55.885 26.616 30.024 1.00 41.50 H new ATOM 0 HZ1 LYS A 58 58.138 27.184 29.767 1.00 44.29 H new ATOM 0 HZ2 LYS A 58 57.789 27.490 31.400 1.00 44.29 H new ATOM 0 HZ3 LYS A 58 58.653 26.095 30.963 1.00 44.29 H new