USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 51 SER OG : rot 180:sc= 0.754 USER MOD Set 1.2: A 54 SER OG : rot 103:sc= 0.808 USER MOD Set 2.1: A 25 ASN : amide:sc= 1.06 K(o=0.13,f=-4.3!) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.932 K(o=0.13,f=-4.9) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 1.23 (180deg=1.13) USER MOD Single : A 4 SER OG : rot -150:sc= -1.58! USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -0.0162 (180deg=-0.134) USER MOD Single : A 8 MET CE :methyl 159:sc= -0.176 (180deg=-0.718) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 11 ASN : amide:sc= 0.724 K(o=0.72,f=-0.055) USER MOD Single : A 19 MET CE :methyl 157:sc= -0.125 (180deg=-0.753) USER MOD Single : A 30 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.36) USER MOD Single : A 31 SER OG : rot 41:sc= 0.0969 USER MOD Single : A 35 THR OG1 : rot -96:sc= 0.452 USER MOD Single : A 55 CYS SG : rot 67:sc= 0.607 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= -0.0499 (180deg=-0.275) USER MOD Single : A 70 SER OG : rot -116:sc= 0.284 USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= -1.31! (180deg=-2.28!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.626 K(o=0.63,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.062 -10.150 -9.664 1.00 22.30 N ATOM 2 CA GLY A 1 13.682 -9.629 -9.516 1.00 34.43 C ATOM 3 C GLY A 1 12.932 -10.325 -8.395 1.00 54.31 C ATOM 4 O GLY A 1 13.194 -11.494 -8.114 1.00 35.32 O ATOM 0 H1 GLY A 1 15.589 -9.551 -10.331 1.00 22.30 H new ATOM 0 H2 GLY A 1 15.538 -10.140 -8.739 1.00 22.30 H new ATOM 0 H3 GLY A 1 15.028 -11.125 -10.026 1.00 22.30 H new ATOM 0 HA2 GLY A 1 13.718 -8.558 -9.319 1.00 34.43 H new ATOM 0 HA3 GLY A 1 13.141 -9.763 -10.453 1.00 34.43 H new ATOM 10 N PRO A 2 12.000 -9.622 -7.723 1.00 3.42 N ATOM 11 CA PRO A 2 11.213 -10.176 -6.627 1.00 42.11 C ATOM 12 C PRO A 2 9.870 -10.739 -7.106 1.00 52.42 C ATOM 13 O PRO A 2 9.708 -11.057 -8.288 1.00 55.43 O ATOM 14 CB PRO A 2 11.014 -8.942 -5.744 1.00 10.24 C ATOM 15 CG PRO A 2 10.898 -7.802 -6.710 1.00 41.31 C ATOM 16 CD PRO A 2 11.641 -8.211 -7.970 1.00 31.52 C ATOM 0 HA PRO A 2 11.692 -11.017 -6.127 1.00 42.11 H new ATOM 0 HB2 PRO A 2 10.118 -9.034 -5.130 1.00 10.24 H new ATOM 0 HB3 PRO A 2 11.854 -8.801 -5.064 1.00 10.24 H new ATOM 0 HG2 PRO A 2 9.852 -7.589 -6.931 1.00 41.31 H new ATOM 0 HG3 PRO A 2 11.326 -6.893 -6.287 1.00 41.31 H new ATOM 0 HD2 PRO A 2 11.015 -8.106 -8.856 1.00 31.52 H new ATOM 0 HD3 PRO A 2 12.526 -7.595 -8.131 1.00 31.52 H new ATOM 24 N GLY A 3 8.914 -10.854 -6.185 1.00 45.01 N ATOM 25 CA GLY A 3 7.594 -11.356 -6.522 1.00 21.14 C ATOM 26 C GLY A 3 6.532 -10.813 -5.586 1.00 63.20 C ATOM 27 O GLY A 3 6.757 -10.711 -4.377 1.00 32.45 O ATOM 0 H GLY A 3 9.034 -10.605 -5.203 1.00 45.01 H new ATOM 0 HA2 GLY A 3 7.351 -11.080 -7.548 1.00 21.14 H new ATOM 0 HA3 GLY A 3 7.596 -12.445 -6.477 1.00 21.14 H new ATOM 31 N SER A 4 5.381 -10.450 -6.140 1.00 33.30 N ATOM 32 CA SER A 4 4.271 -9.919 -5.356 1.00 22.20 C ATOM 33 C SER A 4 3.218 -11.004 -5.103 1.00 43.34 C ATOM 34 O SER A 4 3.284 -12.094 -5.680 1.00 12.55 O ATOM 35 CB SER A 4 3.663 -8.720 -6.090 1.00 64.22 C ATOM 36 OG SER A 4 3.517 -8.989 -7.475 1.00 5.04 O ATOM 0 H SER A 4 5.191 -10.515 -7.140 1.00 33.30 H new ATOM 0 HA SER A 4 4.640 -9.589 -4.385 1.00 22.20 H new ATOM 0 HB2 SER A 4 2.691 -8.480 -5.659 1.00 64.22 H new ATOM 0 HB3 SER A 4 4.298 -7.845 -5.951 1.00 64.22 H new ATOM 0 HG SER A 4 3.596 -8.153 -7.981 1.00 5.04 H new ATOM 42 N MET A 5 2.257 -10.702 -4.230 1.00 14.31 N ATOM 43 CA MET A 5 1.191 -11.645 -3.895 1.00 21.41 C ATOM 44 C MET A 5 0.226 -11.804 -5.071 1.00 3.22 C ATOM 45 O MET A 5 -0.813 -11.139 -5.138 1.00 24.55 O ATOM 46 CB MET A 5 0.424 -11.187 -2.642 1.00 54.22 C ATOM 47 CG MET A 5 1.269 -11.122 -1.377 1.00 4.32 C ATOM 48 SD MET A 5 0.309 -10.599 0.061 1.00 52.35 S ATOM 49 CE MET A 5 1.579 -10.573 1.323 1.00 62.22 C ATOM 0 H MET A 5 2.195 -9.809 -3.741 1.00 14.31 H new ATOM 0 HA MET A 5 1.652 -12.610 -3.684 1.00 21.41 H new ATOM 0 HB2 MET A 5 -0.002 -10.202 -2.831 1.00 54.22 H new ATOM 0 HB3 MET A 5 -0.410 -11.867 -2.473 1.00 54.22 H new ATOM 0 HG2 MET A 5 1.705 -12.102 -1.183 1.00 4.32 H new ATOM 0 HG3 MET A 5 2.096 -10.429 -1.530 1.00 4.32 H new ATOM 0 HE1 MET A 5 1.141 -10.268 2.273 1.00 62.22 H new ATOM 0 HE2 MET A 5 2.011 -11.569 1.425 1.00 62.22 H new ATOM 0 HE3 MET A 5 2.359 -9.867 1.039 1.00 62.22 H new ATOM 59 N LYS A 6 0.603 -12.656 -6.017 1.00 60.02 N ATOM 60 CA LYS A 6 -0.242 -12.966 -7.165 1.00 0.51 C ATOM 61 C LYS A 6 -1.018 -14.249 -6.905 1.00 20.35 C ATOM 62 O LYS A 6 -0.443 -15.261 -6.491 1.00 72.41 O ATOM 63 CB LYS A 6 0.611 -13.102 -8.438 1.00 22.24 C ATOM 64 CG LYS A 6 1.347 -11.819 -8.822 1.00 51.21 C ATOM 65 CD LYS A 6 0.377 -10.677 -9.130 1.00 43.02 C ATOM 66 CE LYS A 6 1.109 -9.383 -9.466 1.00 42.41 C ATOM 67 NZ LYS A 6 1.983 -9.528 -10.661 1.00 41.11 N ATOM 0 H LYS A 6 1.496 -13.148 -6.011 1.00 60.02 H new ATOM 0 HA LYS A 6 -0.950 -12.150 -7.313 1.00 0.51 H new ATOM 0 HB2 LYS A 6 1.340 -13.899 -8.293 1.00 22.24 H new ATOM 0 HB3 LYS A 6 -0.032 -13.404 -9.265 1.00 22.24 H new ATOM 0 HG2 LYS A 6 2.010 -11.523 -8.009 1.00 51.21 H new ATOM 0 HG3 LYS A 6 1.975 -12.007 -9.693 1.00 51.21 H new ATOM 0 HD2 LYS A 6 -0.262 -10.960 -9.966 1.00 43.02 H new ATOM 0 HD3 LYS A 6 -0.275 -10.513 -8.272 1.00 43.02 H new ATOM 0 HE2 LYS A 6 0.381 -8.591 -9.644 1.00 42.41 H new ATOM 0 HE3 LYS A 6 1.712 -9.076 -8.612 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 2.341 -8.594 -10.944 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 2.784 -10.151 -10.432 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 1.436 -9.941 -11.443 1.00 41.11 H new ATOM 81 N ILE A 7 -2.323 -14.199 -7.130 1.00 20.42 N ATOM 82 CA ILE A 7 -3.193 -15.344 -6.901 1.00 44.41 C ATOM 83 C ILE A 7 -3.007 -16.381 -8.006 1.00 2.01 C ATOM 84 O ILE A 7 -2.728 -16.027 -9.155 1.00 74.52 O ATOM 85 CB ILE A 7 -4.684 -14.910 -6.841 1.00 64.54 C ATOM 86 CG1 ILE A 7 -4.889 -13.845 -5.750 1.00 73.53 C ATOM 87 CG2 ILE A 7 -5.600 -16.112 -6.598 1.00 60.11 C ATOM 88 CD1 ILE A 7 -4.520 -14.313 -4.358 1.00 33.43 C ATOM 0 H ILE A 7 -2.806 -13.369 -7.474 1.00 20.42 H new ATOM 0 HA ILE A 7 -2.920 -15.784 -5.942 1.00 44.41 H new ATOM 0 HB ILE A 7 -4.949 -14.477 -7.806 1.00 64.54 H new ATOM 0 HG12 ILE A 7 -4.293 -12.967 -5.997 1.00 73.53 H new ATOM 0 HG13 ILE A 7 -5.933 -13.533 -5.753 1.00 73.53 H new ATOM 0 HG21 ILE A 7 -6.637 -15.778 -6.561 1.00 60.11 H new ATOM 0 HG22 ILE A 7 -5.479 -16.831 -7.408 1.00 60.11 H new ATOM 0 HG23 ILE A 7 -5.337 -16.584 -5.652 1.00 60.11 H new ATOM 0 HD11 ILE A 7 -4.692 -13.506 -3.645 1.00 33.43 H new ATOM 0 HD12 ILE A 7 -5.134 -15.173 -4.088 1.00 33.43 H new ATOM 0 HD13 ILE A 7 -3.468 -14.597 -4.337 1.00 33.43 H new ATOM 100 N MET A 8 -3.132 -17.660 -7.647 1.00 64.41 N ATOM 101 CA MET A 8 -3.075 -18.742 -8.627 1.00 24.40 C ATOM 102 C MET A 8 -4.041 -18.459 -9.780 1.00 34.32 C ATOM 103 O MET A 8 -5.262 -18.461 -9.605 1.00 33.34 O ATOM 104 CB MET A 8 -3.389 -20.096 -7.962 1.00 14.01 C ATOM 105 CG MET A 8 -4.705 -20.127 -7.193 1.00 51.13 C ATOM 106 SD MET A 8 -5.035 -21.730 -6.427 1.00 50.30 S ATOM 107 CE MET A 8 -3.614 -21.909 -5.350 1.00 14.20 C ATOM 0 H MET A 8 -3.273 -17.970 -6.686 1.00 64.41 H new ATOM 0 HA MET A 8 -2.064 -18.796 -9.031 1.00 24.40 H new ATOM 0 HB2 MET A 8 -3.413 -20.868 -8.731 1.00 14.01 H new ATOM 0 HB3 MET A 8 -2.577 -20.350 -7.280 1.00 14.01 H new ATOM 0 HG2 MET A 8 -4.687 -19.358 -6.421 1.00 51.13 H new ATOM 0 HG3 MET A 8 -5.522 -19.879 -7.871 1.00 51.13 H new ATOM 0 HE1 MET A 8 -3.843 -22.627 -4.562 1.00 14.20 H new ATOM 0 HE2 MET A 8 -2.761 -22.265 -5.929 1.00 14.20 H new ATOM 0 HE3 MET A 8 -3.372 -20.945 -4.903 1.00 14.20 H new ATOM 117 N SER A 9 -3.475 -18.177 -10.948 1.00 52.42 N ATOM 118 CA SER A 9 -4.247 -17.774 -12.113 1.00 41.40 C ATOM 119 C SER A 9 -3.394 -17.919 -13.375 1.00 52.44 C ATOM 120 O SER A 9 -2.278 -18.451 -13.321 1.00 2.24 O ATOM 121 CB SER A 9 -4.719 -16.319 -11.935 1.00 11.15 C ATOM 122 OG SER A 9 -5.468 -15.867 -13.052 1.00 3.21 O ATOM 0 H SER A 9 -2.469 -18.222 -11.112 1.00 52.42 H new ATOM 0 HA SER A 9 -5.122 -18.416 -12.216 1.00 41.40 H new ATOM 0 HB2 SER A 9 -5.328 -16.242 -11.034 1.00 11.15 H new ATOM 0 HB3 SER A 9 -3.854 -15.671 -11.791 1.00 11.15 H new ATOM 0 HG SER A 9 -5.752 -14.941 -12.902 1.00 3.21 H new ATOM 128 N ASP A 10 -3.923 -17.453 -14.503 1.00 5.42 N ATOM 129 CA ASP A 10 -3.205 -17.499 -15.777 1.00 71.14 C ATOM 130 C ASP A 10 -1.963 -16.613 -15.715 1.00 13.53 C ATOM 131 O ASP A 10 -2.068 -15.398 -15.514 1.00 34.12 O ATOM 132 CB ASP A 10 -4.109 -17.041 -16.930 1.00 24.34 C ATOM 133 CG ASP A 10 -5.345 -17.908 -17.092 1.00 63.12 C ATOM 134 OD1 ASP A 10 -6.369 -17.612 -16.442 1.00 0.04 O ATOM 135 OD2 ASP A 10 -5.295 -18.891 -17.864 1.00 35.34 O ATOM 0 H ASP A 10 -4.852 -17.036 -14.562 1.00 5.42 H new ATOM 0 HA ASP A 10 -2.903 -18.531 -15.959 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -4.415 -16.009 -16.757 1.00 24.34 H new ATOM 0 HB3 ASP A 10 -3.539 -17.053 -17.859 1.00 24.34 H new ATOM 140 N ASN A 11 -0.795 -17.227 -15.871 1.00 24.23 N ATOM 141 CA ASN A 11 0.480 -16.510 -15.839 1.00 34.43 C ATOM 142 C ASN A 11 1.405 -17.050 -16.931 1.00 13.01 C ATOM 143 O ASN A 11 1.539 -18.264 -17.087 1.00 54.04 O ATOM 144 CB ASN A 11 1.153 -16.646 -14.463 1.00 22.21 C ATOM 145 CG ASN A 11 0.442 -15.855 -13.375 1.00 23.50 C ATOM 146 OD1 ASN A 11 0.731 -14.677 -13.160 1.00 72.51 O ATOM 147 ND2 ASN A 11 -0.493 -16.488 -12.683 1.00 70.34 N ATOM 0 H ASN A 11 -0.703 -18.231 -16.023 1.00 24.23 H new ATOM 0 HA ASN A 11 0.286 -15.453 -16.019 1.00 34.43 H new ATOM 0 HB2 ASN A 11 1.181 -17.698 -14.180 1.00 22.21 H new ATOM 0 HB3 ASN A 11 2.187 -16.307 -14.535 1.00 22.21 H new ATOM 0 HD21 ASN A 11 -1.000 -15.999 -11.945 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -0.706 -17.464 -12.888 1.00 70.34 H new ATOM 154 N PRO A 12 2.066 -16.157 -17.694 1.00 75.11 N ATOM 155 CA PRO A 12 2.904 -16.552 -18.842 1.00 13.21 C ATOM 156 C PRO A 12 4.125 -17.380 -18.433 1.00 32.31 C ATOM 157 O PRO A 12 4.622 -18.196 -19.211 1.00 35.35 O ATOM 158 CB PRO A 12 3.336 -15.209 -19.451 1.00 12.34 C ATOM 159 CG PRO A 12 3.218 -14.225 -18.334 1.00 23.15 C ATOM 160 CD PRO A 12 2.054 -14.691 -17.502 1.00 32.52 C ATOM 0 HA PRO A 12 2.359 -17.193 -19.535 1.00 13.21 H new ATOM 0 HB2 PRO A 12 4.357 -15.257 -19.829 1.00 12.34 H new ATOM 0 HB3 PRO A 12 2.698 -14.932 -20.290 1.00 12.34 H new ATOM 0 HG2 PRO A 12 4.133 -14.192 -17.743 1.00 23.15 H new ATOM 0 HG3 PRO A 12 3.048 -13.218 -18.715 1.00 23.15 H new ATOM 0 HD2 PRO A 12 2.176 -14.421 -16.453 1.00 32.52 H new ATOM 0 HD3 PRO A 12 1.116 -14.249 -17.838 1.00 32.52 H new ATOM 168 N PHE A 13 4.590 -17.184 -17.205 1.00 55.21 N ATOM 169 CA PHE A 13 5.800 -17.854 -16.730 1.00 54.02 C ATOM 170 C PHE A 13 5.520 -19.293 -16.281 1.00 42.42 C ATOM 171 O PHE A 13 6.389 -19.944 -15.704 1.00 10.34 O ATOM 172 CB PHE A 13 6.466 -17.048 -15.599 1.00 54.21 C ATOM 173 CG PHE A 13 5.557 -16.694 -14.443 1.00 45.45 C ATOM 174 CD1 PHE A 13 5.292 -17.609 -13.433 1.00 71.32 C ATOM 175 CD2 PHE A 13 4.988 -15.431 -14.361 1.00 72.33 C ATOM 176 CE1 PHE A 13 4.476 -17.271 -12.368 1.00 63.22 C ATOM 177 CE2 PHE A 13 4.171 -15.092 -13.300 1.00 73.14 C ATOM 178 CZ PHE A 13 3.915 -16.012 -12.302 1.00 55.23 C ATOM 0 H PHE A 13 4.151 -16.569 -16.520 1.00 55.21 H new ATOM 0 HA PHE A 13 6.492 -17.905 -17.571 1.00 54.02 H new ATOM 0 HB2 PHE A 13 7.311 -17.620 -15.215 1.00 54.21 H new ATOM 0 HB3 PHE A 13 6.869 -16.127 -16.019 1.00 54.21 H new ATOM 0 HD1 PHE A 13 5.728 -18.596 -13.479 1.00 71.32 H new ATOM 0 HD2 PHE A 13 5.186 -14.705 -15.135 1.00 72.33 H new ATOM 0 HE1 PHE A 13 4.278 -17.992 -11.589 1.00 63.22 H new ATOM 0 HE2 PHE A 13 3.732 -14.107 -13.251 1.00 73.14 H new ATOM 0 HZ PHE A 13 3.277 -15.747 -11.472 1.00 55.23 H new ATOM 188 N ASP A 14 4.309 -19.782 -16.548 1.00 61.43 N ATOM 189 CA ASP A 14 3.939 -21.171 -16.247 1.00 1.10 C ATOM 190 C ASP A 14 3.720 -21.941 -17.553 1.00 23.42 C ATOM 191 O ASP A 14 3.188 -23.051 -17.563 1.00 64.53 O ATOM 192 CB ASP A 14 2.669 -21.199 -15.372 1.00 24.22 C ATOM 193 CG ASP A 14 2.248 -22.607 -14.951 1.00 25.23 C ATOM 194 OD1 ASP A 14 2.931 -23.212 -14.096 1.00 35.13 O ATOM 195 OD2 ASP A 14 1.228 -23.117 -15.473 1.00 35.14 O ATOM 0 H ASP A 14 3.561 -19.235 -16.975 1.00 61.43 H new ATOM 0 HA ASP A 14 4.746 -21.651 -15.693 1.00 1.10 H new ATOM 0 HB2 ASP A 14 2.839 -20.597 -14.479 1.00 24.22 H new ATOM 0 HB3 ASP A 14 1.850 -20.732 -15.919 1.00 24.22 H new ATOM 200 N ASP A 15 4.148 -21.339 -18.662 1.00 24.15 N ATOM 201 CA ASP A 15 3.964 -21.931 -19.987 1.00 22.14 C ATOM 202 C ASP A 15 4.679 -23.281 -20.095 1.00 33.41 C ATOM 203 O ASP A 15 5.817 -23.430 -19.651 1.00 21.43 O ATOM 204 CB ASP A 15 4.466 -20.984 -21.083 1.00 33.54 C ATOM 205 CG ASP A 15 4.190 -21.522 -22.480 1.00 71.14 C ATOM 206 OD1 ASP A 15 3.089 -21.274 -23.014 1.00 14.35 O ATOM 207 OD2 ASP A 15 5.069 -22.201 -23.049 1.00 4.14 O ATOM 0 H ASP A 15 4.626 -20.438 -18.669 1.00 24.15 H new ATOM 0 HA ASP A 15 2.895 -22.095 -20.127 1.00 22.14 H new ATOM 0 HB2 ASP A 15 3.986 -20.012 -20.969 1.00 33.54 H new ATOM 0 HB3 ASP A 15 5.538 -20.826 -20.962 1.00 33.54 H new ATOM 212 N GLU A 16 4.005 -24.243 -20.717 1.00 64.42 N ATOM 213 CA GLU A 16 4.484 -25.624 -20.802 1.00 72.15 C ATOM 214 C GLU A 16 5.872 -25.735 -21.450 1.00 0.22 C ATOM 215 O GLU A 16 6.649 -26.628 -21.106 1.00 14.11 O ATOM 216 CB GLU A 16 3.469 -26.467 -21.584 1.00 10.52 C ATOM 217 CG GLU A 16 3.119 -25.887 -22.952 1.00 35.24 C ATOM 218 CD GLU A 16 2.098 -26.721 -23.706 1.00 43.11 C ATOM 219 OE1 GLU A 16 0.881 -26.533 -23.485 1.00 71.15 O ATOM 220 OE2 GLU A 16 2.501 -27.567 -24.528 1.00 60.31 O ATOM 0 H GLU A 16 3.108 -24.089 -21.179 1.00 64.42 H new ATOM 0 HA GLU A 16 4.583 -25.999 -19.783 1.00 72.15 H new ATOM 0 HB2 GLU A 16 3.869 -27.472 -21.716 1.00 10.52 H new ATOM 0 HB3 GLU A 16 2.557 -26.562 -20.995 1.00 10.52 H new ATOM 0 HG2 GLU A 16 2.731 -24.876 -22.824 1.00 35.24 H new ATOM 0 HG3 GLU A 16 4.027 -25.807 -23.550 1.00 35.24 H new ATOM 227 N ASP A 17 6.185 -24.832 -22.379 1.00 22.24 N ATOM 228 CA ASP A 17 7.462 -24.889 -23.099 1.00 3.22 C ATOM 229 C ASP A 17 8.589 -24.273 -22.280 1.00 74.54 C ATOM 230 O ASP A 17 9.764 -24.421 -22.624 1.00 14.22 O ATOM 231 CB ASP A 17 7.370 -24.184 -24.460 1.00 73.41 C ATOM 232 CG ASP A 17 6.519 -24.943 -25.466 1.00 11.32 C ATOM 233 OD1 ASP A 17 6.966 -26.007 -25.947 1.00 74.33 O ATOM 234 OD2 ASP A 17 5.414 -24.463 -25.808 1.00 23.03 O ATOM 0 H ASP A 17 5.579 -24.058 -22.651 1.00 22.24 H new ATOM 0 HA ASP A 17 7.685 -25.943 -23.265 1.00 3.22 H new ATOM 0 HB2 ASP A 17 6.953 -23.187 -24.319 1.00 73.41 H new ATOM 0 HB3 ASP A 17 8.374 -24.056 -24.865 1.00 73.41 H new ATOM 239 N GLY A 18 8.237 -23.581 -21.200 1.00 22.32 N ATOM 240 CA GLY A 18 9.239 -22.954 -20.366 1.00 55.12 C ATOM 241 C GLY A 18 9.956 -23.964 -19.493 1.00 21.01 C ATOM 242 O GLY A 18 9.314 -24.764 -18.813 1.00 22.31 O ATOM 0 H GLY A 18 7.275 -23.445 -20.890 1.00 22.32 H new ATOM 0 HA2 GLY A 18 9.964 -22.437 -20.995 1.00 55.12 H new ATOM 0 HA3 GLY A 18 8.768 -22.199 -19.737 1.00 55.12 H new ATOM 246 N MET A 19 11.285 -23.954 -19.532 1.00 71.05 N ATOM 247 CA MET A 19 12.074 -24.805 -18.649 1.00 33.54 C ATOM 248 C MET A 19 12.010 -24.256 -17.229 1.00 63.41 C ATOM 249 O MET A 19 12.264 -23.069 -17.005 1.00 61.02 O ATOM 250 CB MET A 19 13.533 -24.891 -19.122 1.00 64.03 C ATOM 251 CG MET A 19 13.685 -25.417 -20.543 1.00 15.00 C ATOM 252 SD MET A 19 15.409 -25.583 -21.055 1.00 45.42 S ATOM 253 CE MET A 19 15.976 -26.874 -19.951 1.00 24.42 C ATOM 0 H MET A 19 11.835 -23.370 -20.162 1.00 71.05 H new ATOM 0 HA MET A 19 11.658 -25.812 -18.670 1.00 33.54 H new ATOM 0 HB2 MET A 19 13.985 -23.901 -19.060 1.00 64.03 H new ATOM 0 HB3 MET A 19 14.088 -25.538 -18.443 1.00 64.03 H new ATOM 0 HG2 MET A 19 13.194 -26.387 -20.620 1.00 15.00 H new ATOM 0 HG3 MET A 19 13.171 -24.745 -21.230 1.00 15.00 H new ATOM 0 HE1 MET A 19 16.846 -27.368 -20.385 1.00 24.42 H new ATOM 0 HE2 MET A 19 16.248 -26.437 -18.990 1.00 24.42 H new ATOM 0 HE3 MET A 19 15.180 -27.604 -19.805 1.00 24.42 H new ATOM 263 N PHE A 20 11.651 -25.112 -16.279 1.00 61.25 N ATOM 264 CA PHE A 20 11.510 -24.710 -14.883 1.00 32.04 C ATOM 265 C PHE A 20 12.308 -25.663 -13.996 1.00 71.52 C ATOM 266 O PHE A 20 12.657 -26.765 -14.425 1.00 70.12 O ATOM 267 CB PHE A 20 10.029 -24.726 -14.456 1.00 3.13 C ATOM 268 CG PHE A 20 9.074 -24.057 -15.422 1.00 61.03 C ATOM 269 CD1 PHE A 20 9.360 -22.815 -15.974 1.00 54.41 C ATOM 270 CD2 PHE A 20 7.884 -24.675 -15.774 1.00 44.04 C ATOM 271 CE1 PHE A 20 8.482 -22.210 -16.855 1.00 24.51 C ATOM 272 CE2 PHE A 20 7.004 -24.071 -16.651 1.00 71.41 C ATOM 273 CZ PHE A 20 7.305 -22.840 -17.191 1.00 15.24 C ATOM 0 H PHE A 20 11.451 -26.097 -16.452 1.00 61.25 H new ATOM 0 HA PHE A 20 11.891 -23.695 -14.773 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.717 -25.762 -14.320 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.942 -24.237 -13.486 1.00 3.13 H new ATOM 0 HD1 PHE A 20 10.281 -22.315 -15.712 1.00 54.41 H new ATOM 0 HD2 PHE A 20 7.642 -25.641 -15.357 1.00 44.04 H new ATOM 0 HE1 PHE A 20 8.719 -21.245 -17.278 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.080 -24.564 -16.913 1.00 71.41 H new ATOM 0 HZ PHE A 20 6.618 -22.369 -17.878 1.00 15.24 H new ATOM 283 N PHE A 21 12.596 -25.246 -12.767 1.00 10.12 N ATOM 284 CA PHE A 21 13.317 -26.093 -11.813 1.00 12.01 C ATOM 285 C PHE A 21 12.391 -26.529 -10.682 1.00 31.14 C ATOM 286 O PHE A 21 11.455 -25.810 -10.328 1.00 62.34 O ATOM 287 CB PHE A 21 14.564 -25.382 -11.238 1.00 11.41 C ATOM 288 CG PHE A 21 14.638 -23.899 -11.497 1.00 11.11 C ATOM 289 CD1 PHE A 21 15.005 -23.422 -12.745 1.00 12.25 C ATOM 290 CD2 PHE A 21 14.360 -22.987 -10.492 1.00 14.31 C ATOM 291 CE1 PHE A 21 15.092 -22.071 -12.988 1.00 70.43 C ATOM 292 CE2 PHE A 21 14.448 -21.627 -10.729 1.00 22.23 C ATOM 293 CZ PHE A 21 14.813 -21.168 -11.980 1.00 73.54 C ATOM 0 H PHE A 21 12.343 -24.327 -12.405 1.00 10.12 H new ATOM 0 HA PHE A 21 13.660 -26.974 -12.355 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.592 -25.548 -10.161 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.454 -25.852 -11.656 1.00 11.41 H new ATOM 0 HD1 PHE A 21 15.226 -24.121 -13.538 1.00 12.25 H new ATOM 0 HD2 PHE A 21 14.072 -23.341 -9.513 1.00 14.31 H new ATOM 0 HE1 PHE A 21 15.378 -21.716 -13.967 1.00 70.43 H new ATOM 0 HE2 PHE A 21 14.232 -20.925 -9.937 1.00 22.23 H new ATOM 0 HZ PHE A 21 14.880 -20.107 -12.169 1.00 73.54 H new ATOM 303 N VAL A 22 12.660 -27.703 -10.108 1.00 32.43 N ATOM 304 CA VAL A 22 11.856 -28.224 -9.006 1.00 52.22 C ATOM 305 C VAL A 22 12.576 -27.937 -7.697 1.00 31.51 C ATOM 306 O VAL A 22 13.753 -28.275 -7.549 1.00 75.34 O ATOM 307 CB VAL A 22 11.583 -29.750 -9.136 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.717 -30.245 -7.979 1.00 24.52 C ATOM 309 CG2 VAL A 22 10.934 -30.069 -10.480 1.00 1.01 C ATOM 0 H VAL A 22 13.430 -28.310 -10.390 1.00 32.43 H new ATOM 0 HA VAL A 22 10.887 -27.726 -9.031 1.00 52.22 H new ATOM 0 HB VAL A 22 12.538 -30.274 -9.090 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.538 -31.315 -8.090 1.00 24.52 H new ATOM 0 HG12 VAL A 22 11.230 -30.059 -7.035 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.764 -29.716 -7.985 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.752 -31.141 -10.551 1.00 1.01 H new ATOM 0 HG22 VAL A 22 9.988 -29.534 -10.563 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.598 -29.760 -11.287 1.00 1.01 H new ATOM 319 N LEU A 23 11.884 -27.289 -6.765 1.00 13.42 N ATOM 320 CA LEU A 23 12.489 -26.869 -5.501 1.00 60.42 C ATOM 321 C LEU A 23 11.844 -27.585 -4.323 1.00 65.53 C ATOM 322 O LEU A 23 10.816 -28.258 -4.469 1.00 63.14 O ATOM 323 CB LEU A 23 12.346 -25.352 -5.290 1.00 73.02 C ATOM 324 CG LEU A 23 13.069 -24.451 -6.306 1.00 31.12 C ATOM 325 CD1 LEU A 23 12.420 -24.540 -7.677 1.00 65.11 C ATOM 326 CD2 LEU A 23 13.107 -23.006 -5.817 1.00 32.23 C ATOM 0 H LEU A 23 10.899 -27.041 -6.860 1.00 13.42 H new ATOM 0 HA LEU A 23 13.546 -27.129 -5.555 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.285 -25.103 -5.306 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.715 -25.109 -4.294 1.00 73.02 H new ATOM 0 HG LEU A 23 14.095 -24.807 -6.398 1.00 31.12 H new ATOM 0 HD11 LEU A 23 12.952 -23.893 -8.374 1.00 65.11 H new ATOM 0 HD12 LEU A 23 12.462 -25.569 -8.033 1.00 65.11 H new ATOM 0 HD13 LEU A 23 11.380 -24.222 -7.608 1.00 65.11 H new ATOM 0 HD21 LEU A 23 13.623 -22.387 -6.551 1.00 32.23 H new ATOM 0 HD22 LEU A 23 12.089 -22.640 -5.685 1.00 32.23 H new ATOM 0 HD23 LEU A 23 13.636 -22.958 -4.865 1.00 32.23 H new ATOM 338 N ILE A 24 12.456 -27.425 -3.156 1.00 4.03 N ATOM 339 CA ILE A 24 11.895 -27.917 -1.909 1.00 14.44 C ATOM 340 C ILE A 24 12.208 -26.945 -0.777 1.00 20.22 C ATOM 341 O ILE A 24 13.316 -26.414 -0.687 1.00 63.42 O ATOM 342 CB ILE A 24 12.431 -29.326 -1.532 1.00 41.31 C ATOM 343 CG1 ILE A 24 11.674 -29.882 -0.312 1.00 51.34 C ATOM 344 CG2 ILE A 24 13.935 -29.286 -1.251 1.00 63.03 C ATOM 345 CD1 ILE A 24 12.210 -31.206 0.189 1.00 72.04 C ATOM 0 H ILE A 24 13.353 -26.951 -3.050 1.00 4.03 H new ATOM 0 HA ILE A 24 10.818 -27.997 -2.055 1.00 14.44 H new ATOM 0 HB ILE A 24 12.262 -29.988 -2.381 1.00 41.31 H new ATOM 0 HG12 ILE A 24 11.721 -29.152 0.496 1.00 51.34 H new ATOM 0 HG13 ILE A 24 10.622 -30.002 -0.572 1.00 51.34 H new ATOM 0 HG21 ILE A 24 14.283 -30.285 -0.990 1.00 63.03 H new ATOM 0 HG22 ILE A 24 14.462 -28.939 -2.140 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.132 -28.605 -0.423 1.00 63.03 H new ATOM 0 HD11 ILE A 24 11.626 -31.533 1.049 1.00 72.04 H new ATOM 0 HD12 ILE A 24 12.137 -31.951 -0.603 1.00 72.04 H new ATOM 0 HD13 ILE A 24 13.253 -31.089 0.482 1.00 72.04 H new ATOM 357 N ASN A 25 11.217 -26.682 0.056 1.00 75.55 N ATOM 358 CA ASN A 25 11.430 -25.934 1.285 1.00 14.42 C ATOM 359 C ASN A 25 11.656 -26.916 2.417 1.00 33.01 C ATOM 360 O ASN A 25 11.129 -28.035 2.382 1.00 70.04 O ATOM 361 CB ASN A 25 10.228 -25.048 1.608 1.00 41.24 C ATOM 362 CG ASN A 25 10.446 -24.156 2.820 1.00 20.01 C ATOM 363 OD1 ASN A 25 11.570 -23.791 3.149 1.00 54.42 O ATOM 364 ND2 ASN A 25 9.364 -23.802 3.489 1.00 44.54 N ATOM 0 H ASN A 25 10.252 -26.976 -0.096 1.00 75.55 H new ATOM 0 HA ASN A 25 12.299 -25.288 1.159 1.00 14.42 H new ATOM 0 HB2 ASN A 25 10.002 -24.425 0.743 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.357 -25.679 1.782 1.00 41.24 H new ATOM 0 HD21 ASN A 25 9.446 -23.204 4.311 1.00 44.54 H new ATOM 0 HD22 ASN A 25 8.447 -24.126 3.183 1.00 44.54 H new ATOM 371 N ASP A 26 12.375 -26.469 3.436 1.00 0.51 N ATOM 372 CA ASP A 26 12.833 -27.339 4.532 1.00 41.45 C ATOM 373 C ASP A 26 11.659 -27.905 5.316 1.00 23.42 C ATOM 374 O ASP A 26 11.816 -28.794 6.156 1.00 60.33 O ATOM 375 CB ASP A 26 13.799 -26.594 5.462 1.00 15.32 C ATOM 376 CG ASP A 26 15.168 -26.405 4.826 1.00 11.14 C ATOM 377 OD1 ASP A 26 16.026 -27.298 4.980 1.00 61.30 O ATOM 378 OD2 ASP A 26 15.384 -25.374 4.152 1.00 61.45 O ATOM 0 H ASP A 26 12.662 -25.495 3.535 1.00 0.51 H new ATOM 0 HA ASP A 26 13.371 -28.175 4.084 1.00 41.45 H new ATOM 0 HB2 ASP A 26 13.380 -25.621 5.716 1.00 15.32 H new ATOM 0 HB3 ASP A 26 13.905 -27.149 6.394 1.00 15.32 H new ATOM 383 N GLU A 27 10.478 -27.389 5.022 1.00 22.54 N ATOM 384 CA GLU A 27 9.230 -27.962 5.505 1.00 61.02 C ATOM 385 C GLU A 27 8.838 -29.156 4.624 1.00 61.13 C ATOM 386 O GLU A 27 7.686 -29.592 4.624 1.00 71.33 O ATOM 387 CB GLU A 27 8.143 -26.880 5.482 1.00 25.02 C ATOM 388 CG GLU A 27 8.468 -25.669 6.353 1.00 4.32 C ATOM 389 CD GLU A 27 7.483 -24.519 6.172 1.00 34.53 C ATOM 390 OE1 GLU A 27 6.271 -24.728 6.384 1.00 73.21 O ATOM 391 OE2 GLU A 27 7.921 -23.396 5.831 1.00 24.01 O ATOM 0 H GLU A 27 10.356 -26.560 4.441 1.00 22.54 H new ATOM 0 HA GLU A 27 9.349 -28.319 6.528 1.00 61.02 H new ATOM 0 HB2 GLU A 27 7.994 -26.548 4.454 1.00 25.02 H new ATOM 0 HB3 GLU A 27 7.201 -27.315 5.816 1.00 25.02 H new ATOM 0 HG2 GLU A 27 8.474 -25.973 7.400 1.00 4.32 H new ATOM 0 HG3 GLU A 27 9.473 -25.319 6.117 1.00 4.32 H new ATOM 398 N GLU A 28 9.822 -29.675 3.879 1.00 74.33 N ATOM 399 CA GLU A 28 9.635 -30.796 2.964 1.00 5.20 C ATOM 400 C GLU A 28 8.598 -30.439 1.905 1.00 42.14 C ATOM 401 O GLU A 28 7.902 -31.301 1.373 1.00 30.30 O ATOM 402 CB GLU A 28 9.244 -32.065 3.736 1.00 11.13 C ATOM 403 CG GLU A 28 10.249 -32.434 4.825 1.00 44.12 C ATOM 404 CD GLU A 28 9.928 -33.746 5.520 1.00 45.01 C ATOM 405 OE1 GLU A 28 8.761 -33.955 5.903 1.00 33.23 O ATOM 406 OE2 GLU A 28 10.853 -34.564 5.716 1.00 15.51 O ATOM 0 H GLU A 28 10.778 -29.321 3.898 1.00 74.33 H new ATOM 0 HA GLU A 28 10.577 -31.002 2.456 1.00 5.20 H new ATOM 0 HB2 GLU A 28 8.263 -31.921 4.188 1.00 11.13 H new ATOM 0 HB3 GLU A 28 9.153 -32.896 3.036 1.00 11.13 H new ATOM 0 HG2 GLU A 28 11.244 -32.498 4.385 1.00 44.12 H new ATOM 0 HG3 GLU A 28 10.280 -31.636 5.567 1.00 44.12 H new ATOM 413 N GLN A 29 8.543 -29.156 1.567 1.00 64.21 N ATOM 414 CA GLN A 29 7.544 -28.659 0.629 1.00 51.25 C ATOM 415 C GLN A 29 8.103 -28.679 -0.786 1.00 33.51 C ATOM 416 O GLN A 29 9.059 -27.975 -1.087 1.00 74.21 O ATOM 417 CB GLN A 29 7.114 -27.236 1.008 1.00 71.23 C ATOM 418 CG GLN A 29 6.464 -27.139 2.384 1.00 15.21 C ATOM 419 CD GLN A 29 6.182 -25.706 2.810 1.00 15.23 C ATOM 420 OE1 GLN A 29 6.881 -24.777 2.408 1.00 50.34 O ATOM 421 NE2 GLN A 29 5.169 -25.520 3.643 1.00 41.25 N ATOM 0 H GLN A 29 9.177 -28.443 1.927 1.00 64.21 H new ATOM 0 HA GLN A 29 6.670 -29.308 0.674 1.00 51.25 H new ATOM 0 HB2 GLN A 29 7.986 -26.583 0.981 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.415 -26.865 0.258 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.530 -27.701 2.379 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.115 -27.610 3.121 1.00 15.21 H new ATOM 0 HE21 GLN A 29 4.612 -26.316 3.954 1.00 41.25 H new ATOM 0 HE22 GLN A 29 4.946 -24.581 3.973 1.00 41.25 H new ATOM 430 N HIS A 30 7.499 -29.483 -1.647 1.00 71.42 N ATOM 431 CA HIS A 30 7.963 -29.629 -3.024 1.00 42.33 C ATOM 432 C HIS A 30 7.153 -28.715 -3.941 1.00 72.03 C ATOM 433 O HIS A 30 5.933 -28.625 -3.804 1.00 21.01 O ATOM 434 CB HIS A 30 7.837 -31.095 -3.469 1.00 50.11 C ATOM 435 CG HIS A 30 8.590 -32.057 -2.593 1.00 63.33 C ATOM 436 ND1 HIS A 30 7.995 -32.793 -1.586 1.00 62.20 N ATOM 437 CD2 HIS A 30 9.901 -32.407 -2.580 1.00 60.32 C ATOM 438 CE1 HIS A 30 8.905 -33.548 -0.996 1.00 74.33 C ATOM 439 NE2 HIS A 30 10.067 -33.331 -1.580 1.00 40.22 N ATOM 0 H HIS A 30 6.682 -30.049 -1.418 1.00 71.42 H new ATOM 0 HA HIS A 30 9.013 -29.341 -3.084 1.00 42.33 H new ATOM 0 HB2 HIS A 30 6.783 -31.374 -3.478 1.00 50.11 H new ATOM 0 HB3 HIS A 30 8.200 -31.188 -4.492 1.00 50.11 H new ATOM 0 HD2 HIS A 30 10.671 -32.028 -3.236 1.00 60.32 H new ATOM 0 HE1 HIS A 30 8.727 -34.227 -0.175 1.00 74.33 H new ATOM 0 HE2 HIS A 30 10.948 -33.779 -1.328 1.00 40.22 H new ATOM 448 N SER A 31 7.830 -28.037 -4.868 1.00 35.33 N ATOM 449 CA SER A 31 7.175 -27.074 -5.746 1.00 44.32 C ATOM 450 C SER A 31 8.000 -26.870 -7.017 1.00 41.34 C ATOM 451 O SER A 31 9.045 -27.501 -7.201 1.00 42.53 O ATOM 452 CB SER A 31 6.968 -25.739 -5.007 1.00 53.22 C ATOM 453 OG SER A 31 6.194 -24.825 -5.774 1.00 51.33 O ATOM 0 H SER A 31 8.832 -28.139 -5.028 1.00 35.33 H new ATOM 0 HA SER A 31 6.198 -27.463 -6.033 1.00 44.32 H new ATOM 0 HB2 SER A 31 6.473 -25.924 -4.054 1.00 53.22 H new ATOM 0 HB3 SER A 31 7.937 -25.294 -4.781 1.00 53.22 H new ATOM 0 HG SER A 31 5.460 -25.305 -6.211 1.00 51.33 H new ATOM 459 N LEU A 32 7.529 -25.980 -7.878 1.00 3.13 N ATOM 460 CA LEU A 32 8.132 -25.752 -9.186 1.00 2.12 C ATOM 461 C LEU A 32 8.268 -24.252 -9.441 1.00 23.13 C ATOM 462 O LEU A 32 7.286 -23.515 -9.346 1.00 0.03 O ATOM 463 CB LEU A 32 7.250 -26.409 -10.259 1.00 20.23 C ATOM 464 CG LEU A 32 7.764 -26.324 -11.706 1.00 74.50 C ATOM 465 CD1 LEU A 32 9.090 -27.063 -11.844 1.00 31.30 C ATOM 466 CD2 LEU A 32 6.729 -26.880 -12.688 1.00 54.31 C ATOM 0 H LEU A 32 6.716 -25.393 -7.690 1.00 3.13 H new ATOM 0 HA LEU A 32 9.128 -26.193 -9.221 1.00 2.12 H new ATOM 0 HB2 LEU A 32 7.123 -27.461 -10.002 1.00 20.23 H new ATOM 0 HB3 LEU A 32 6.262 -25.950 -10.219 1.00 20.23 H new ATOM 0 HG LEU A 32 7.927 -25.274 -11.949 1.00 74.50 H new ATOM 0 HD11 LEU A 32 9.440 -26.993 -12.874 1.00 31.30 H new ATOM 0 HD12 LEU A 32 9.828 -26.614 -11.179 1.00 31.30 H new ATOM 0 HD13 LEU A 32 8.952 -28.111 -11.578 1.00 31.30 H new ATOM 0 HD21 LEU A 32 7.117 -26.809 -13.704 1.00 54.31 H new ATOM 0 HD22 LEU A 32 6.526 -27.924 -12.450 1.00 54.31 H new ATOM 0 HD23 LEU A 32 5.807 -26.304 -12.610 1.00 54.31 H new ATOM 478 N TRP A 33 9.484 -23.805 -9.749 1.00 3.12 N ATOM 479 CA TRP A 33 9.753 -22.381 -9.953 1.00 32.24 C ATOM 480 C TRP A 33 10.260 -22.133 -11.378 1.00 54.31 C ATOM 481 O TRP A 33 11.094 -22.890 -11.885 1.00 25.10 O ATOM 482 CB TRP A 33 10.783 -21.892 -8.925 1.00 63.34 C ATOM 483 CG TRP A 33 10.728 -20.415 -8.673 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.638 -19.478 -9.064 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.696 -19.706 -7.977 1.00 60.41 C ATOM 486 NE1 TRP A 33 11.237 -18.235 -8.648 1.00 2.11 N ATOM 487 CE2 TRP A 33 10.051 -18.347 -7.981 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.505 -20.090 -7.348 1.00 13.51 C ATOM 489 CZ2 TRP A 33 9.264 -17.369 -7.383 1.00 54.44 C ATOM 490 CZ3 TRP A 33 7.724 -19.115 -6.755 1.00 3.41 C ATOM 491 CH2 TRP A 33 8.107 -17.768 -6.776 1.00 1.12 C ATOM 0 H TRP A 33 10.299 -24.407 -9.863 1.00 3.12 H new ATOM 0 HA TRP A 33 8.827 -21.823 -9.816 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.622 -22.418 -7.984 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.782 -22.156 -9.271 1.00 63.34 H new ATOM 0 HD1 TRP A 33 12.541 -19.685 -9.619 1.00 61.25 H new ATOM 0 HE1 TRP A 33 11.744 -17.365 -8.811 1.00 2.11 H new ATOM 0 HE3 TRP A 33 8.203 -21.127 -7.327 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 9.557 -16.330 -7.398 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 6.803 -19.397 -6.267 1.00 3.41 H new ATOM 0 HH2 TRP A 33 7.475 -17.030 -6.303 1.00 1.12 H new ATOM 502 N PRO A 34 9.757 -21.077 -12.050 1.00 25.13 N ATOM 503 CA PRO A 34 10.133 -20.763 -13.434 1.00 42.25 C ATOM 504 C PRO A 34 11.485 -20.055 -13.553 1.00 14.23 C ATOM 505 O PRO A 34 11.926 -19.366 -12.631 1.00 50.31 O ATOM 506 CB PRO A 34 9.001 -19.836 -13.885 1.00 31.40 C ATOM 507 CG PRO A 34 8.618 -19.109 -12.643 1.00 22.21 C ATOM 508 CD PRO A 34 8.768 -20.108 -11.521 1.00 51.42 C ATOM 0 HA PRO A 34 10.251 -21.664 -14.036 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.333 -19.149 -14.664 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.162 -20.399 -14.293 1.00 31.40 H new ATOM 0 HG2 PRO A 34 9.259 -18.242 -12.483 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.594 -18.741 -12.705 1.00 22.21 H new ATOM 0 HD2 PRO A 34 9.121 -19.633 -10.606 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.820 -20.591 -11.284 1.00 51.42 H new ATOM 516 N THR A 35 12.115 -20.220 -14.715 1.00 20.31 N ATOM 517 CA THR A 35 13.392 -19.579 -15.028 1.00 14.53 C ATOM 518 C THR A 35 13.263 -18.055 -15.009 1.00 24.53 C ATOM 519 O THR A 35 14.201 -17.338 -14.657 1.00 70.21 O ATOM 520 CB THR A 35 13.883 -20.030 -16.427 1.00 2.34 C ATOM 521 OG1 THR A 35 12.757 -20.126 -17.319 1.00 13.41 O ATOM 522 CG2 THR A 35 14.610 -21.370 -16.371 1.00 20.12 C ATOM 0 H THR A 35 11.753 -20.804 -15.469 1.00 20.31 H new ATOM 0 HA THR A 35 14.112 -19.879 -14.267 1.00 14.53 H new ATOM 0 HB THR A 35 14.591 -19.286 -16.791 1.00 2.34 H new ATOM 0 HG1 THR A 35 12.443 -21.054 -17.351 1.00 13.41 H new ATOM 0 HG21 THR A 35 14.937 -21.649 -17.373 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.477 -21.286 -15.716 1.00 20.12 H new ATOM 0 HG23 THR A 35 13.936 -22.134 -15.984 1.00 20.12 H new ATOM 530 N PHE A 36 12.080 -17.578 -15.379 1.00 54.32 N ATOM 531 CA PHE A 36 11.807 -16.148 -15.507 1.00 23.33 C ATOM 532 C PHE A 36 11.823 -15.438 -14.149 1.00 20.31 C ATOM 533 O PHE A 36 11.898 -14.208 -14.086 1.00 11.01 O ATOM 534 CB PHE A 36 10.447 -15.952 -16.189 1.00 71.31 C ATOM 535 CG PHE A 36 10.273 -16.807 -17.423 1.00 0.31 C ATOM 536 CD1 PHE A 36 11.016 -16.556 -18.565 1.00 72.31 C ATOM 537 CD2 PHE A 36 9.369 -17.861 -17.440 1.00 21.12 C ATOM 538 CE1 PHE A 36 10.864 -17.335 -19.696 1.00 4.13 C ATOM 539 CE2 PHE A 36 9.213 -18.643 -18.568 1.00 35.02 C ATOM 540 CZ PHE A 36 9.961 -18.380 -19.698 1.00 61.34 C ATOM 0 H PHE A 36 11.280 -18.172 -15.600 1.00 54.32 H new ATOM 0 HA PHE A 36 12.597 -15.704 -16.113 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.654 -16.185 -15.478 1.00 71.31 H new ATOM 0 HB3 PHE A 36 10.332 -14.903 -16.462 1.00 71.31 H new ATOM 0 HD1 PHE A 36 11.724 -15.740 -18.571 1.00 72.31 H new ATOM 0 HD2 PHE A 36 8.780 -18.072 -16.560 1.00 21.12 H new ATOM 0 HE1 PHE A 36 11.451 -17.127 -20.578 1.00 4.13 H new ATOM 0 HE2 PHE A 36 8.506 -19.460 -18.566 1.00 35.02 H new ATOM 0 HZ PHE A 36 9.840 -18.990 -20.581 1.00 61.34 H new ATOM 550 N ALA A 37 11.770 -16.211 -13.068 1.00 31.31 N ATOM 551 CA ALA A 37 11.727 -15.648 -11.719 1.00 2.32 C ATOM 552 C ALA A 37 12.950 -16.075 -10.908 1.00 65.11 C ATOM 553 O ALA A 37 13.588 -17.083 -11.215 1.00 71.31 O ATOM 554 CB ALA A 37 10.442 -16.070 -11.014 1.00 32.12 C ATOM 0 H ALA A 37 11.756 -17.230 -13.098 1.00 31.31 H new ATOM 0 HA ALA A 37 11.742 -14.561 -11.800 1.00 2.32 H new ATOM 0 HB1 ALA A 37 10.421 -15.645 -10.011 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.582 -15.710 -11.579 1.00 32.12 H new ATOM 0 HB3 ALA A 37 10.403 -17.157 -10.948 1.00 32.12 H new ATOM 560 N ASP A 38 13.270 -15.301 -9.875 1.00 62.40 N ATOM 561 CA ASP A 38 14.406 -15.603 -9.000 1.00 71.51 C ATOM 562 C ASP A 38 13.997 -16.563 -7.893 1.00 32.04 C ATOM 563 O ASP A 38 12.850 -16.546 -7.440 1.00 55.21 O ATOM 564 CB ASP A 38 14.985 -14.317 -8.394 1.00 73.44 C ATOM 565 CG ASP A 38 15.859 -13.552 -9.374 1.00 11.53 C ATOM 566 OD1 ASP A 38 15.310 -12.852 -10.250 1.00 12.15 O ATOM 567 OD2 ASP A 38 17.102 -13.664 -9.280 1.00 71.03 O ATOM 0 H ASP A 38 12.758 -14.456 -9.620 1.00 62.40 H new ATOM 0 HA ASP A 38 15.176 -16.080 -9.607 1.00 71.51 H new ATOM 0 HB2 ASP A 38 14.168 -13.675 -8.064 1.00 73.44 H new ATOM 0 HB3 ASP A 38 15.571 -14.568 -7.510 1.00 73.44 H new ATOM 572 N VAL A 39 14.945 -17.389 -7.462 1.00 54.22 N ATOM 573 CA VAL A 39 14.697 -18.410 -6.447 1.00 43.22 C ATOM 574 C VAL A 39 14.280 -17.775 -5.114 1.00 15.13 C ATOM 575 O VAL A 39 14.999 -16.931 -4.571 1.00 15.20 O ATOM 576 CB VAL A 39 15.957 -19.291 -6.231 1.00 24.11 C ATOM 577 CG1 VAL A 39 15.709 -20.351 -5.157 1.00 4.21 C ATOM 578 CG2 VAL A 39 16.391 -19.943 -7.544 1.00 12.12 C ATOM 0 H VAL A 39 15.905 -17.371 -7.805 1.00 54.22 H new ATOM 0 HA VAL A 39 13.881 -19.037 -6.807 1.00 43.22 H new ATOM 0 HB VAL A 39 16.764 -18.645 -5.885 1.00 24.11 H new ATOM 0 HG11 VAL A 39 16.608 -20.954 -5.026 1.00 4.21 H new ATOM 0 HG12 VAL A 39 15.459 -19.863 -4.215 1.00 4.21 H new ATOM 0 HG13 VAL A 39 14.883 -20.993 -5.463 1.00 4.21 H new ATOM 0 HG21 VAL A 39 17.276 -20.556 -7.371 1.00 12.12 H new ATOM 0 HG22 VAL A 39 15.584 -20.570 -7.923 1.00 12.12 H new ATOM 0 HG23 VAL A 39 16.624 -19.169 -8.275 1.00 12.12 H new ATOM 588 N PRO A 40 13.109 -18.169 -4.571 1.00 15.15 N ATOM 589 CA PRO A 40 12.614 -17.643 -3.296 1.00 14.42 C ATOM 590 C PRO A 40 13.399 -18.192 -2.099 1.00 75.04 C ATOM 591 O PRO A 40 13.630 -19.404 -1.990 1.00 54.23 O ATOM 592 CB PRO A 40 11.151 -18.108 -3.263 1.00 2.52 C ATOM 593 CG PRO A 40 11.118 -19.337 -4.109 1.00 3.34 C ATOM 594 CD PRO A 40 12.174 -19.150 -5.167 1.00 13.40 C ATOM 0 HA PRO A 40 12.723 -16.561 -3.224 1.00 14.42 H new ATOM 0 HB2 PRO A 40 10.827 -18.321 -2.244 1.00 2.52 H new ATOM 0 HB3 PRO A 40 10.484 -17.341 -3.655 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.319 -20.226 -3.511 1.00 3.34 H new ATOM 0 HG3 PRO A 40 10.135 -19.472 -4.560 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.676 -20.089 -5.400 1.00 13.40 H new ATOM 0 HD3 PRO A 40 11.745 -18.778 -6.098 1.00 13.40 H new ATOM 602 N ALA A 41 13.807 -17.290 -1.205 1.00 33.41 N ATOM 603 CA ALA A 41 14.585 -17.661 -0.026 1.00 52.11 C ATOM 604 C ALA A 41 13.869 -18.740 0.785 1.00 43.14 C ATOM 605 O ALA A 41 12.690 -18.600 1.117 1.00 23.12 O ATOM 606 CB ALA A 41 14.853 -16.433 0.837 1.00 52.40 C ATOM 0 H ALA A 41 13.609 -16.292 -1.278 1.00 33.41 H new ATOM 0 HA ALA A 41 15.539 -18.069 -0.360 1.00 52.11 H new ATOM 0 HB1 ALA A 41 15.434 -16.723 1.713 1.00 52.40 H new ATOM 0 HB2 ALA A 41 15.412 -15.697 0.259 1.00 52.40 H new ATOM 0 HB3 ALA A 41 13.906 -16.000 1.157 1.00 52.40 H new ATOM 612 N GLY A 42 14.586 -19.815 1.084 1.00 10.21 N ATOM 613 CA GLY A 42 14.014 -20.928 1.823 1.00 25.41 C ATOM 614 C GLY A 42 13.762 -22.119 0.926 1.00 61.12 C ATOM 615 O GLY A 42 13.794 -23.265 1.373 1.00 34.40 O ATOM 0 H GLY A 42 15.565 -19.938 0.825 1.00 10.21 H new ATOM 0 HA2 GLY A 42 14.688 -21.215 2.630 1.00 25.41 H new ATOM 0 HA3 GLY A 42 13.078 -20.616 2.286 1.00 25.41 H new ATOM 619 N TRP A 43 13.527 -21.845 -0.352 1.00 42.44 N ATOM 620 CA TRP A 43 13.274 -22.899 -1.324 1.00 35.33 C ATOM 621 C TRP A 43 14.563 -23.240 -2.065 1.00 5.14 C ATOM 622 O TRP A 43 15.110 -22.410 -2.792 1.00 44.43 O ATOM 623 CB TRP A 43 12.183 -22.468 -2.310 1.00 0.31 C ATOM 624 CG TRP A 43 10.859 -22.204 -1.655 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.477 -21.068 -0.996 1.00 10.04 C ATOM 626 CD2 TRP A 43 9.742 -23.096 -1.595 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.190 -21.200 -0.539 1.00 32.12 N ATOM 628 CE2 TRP A 43 8.719 -22.437 -0.889 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.509 -24.390 -2.070 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.482 -23.028 -0.649 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.280 -24.975 -1.830 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.281 -24.295 -1.125 1.00 1.41 C ATOM 0 H TRP A 43 13.507 -20.901 -0.738 1.00 42.44 H new ATOM 0 HA TRP A 43 12.925 -23.788 -0.799 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.509 -21.567 -2.830 1.00 0.31 H new ATOM 0 HB3 TRP A 43 12.058 -23.244 -3.065 1.00 0.31 H new ATOM 0 HD1 TRP A 43 11.097 -20.195 -0.856 1.00 10.04 H new ATOM 0 HE1 TRP A 43 8.669 -20.492 -0.022 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.275 -24.923 -2.614 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 6.708 -22.505 -0.106 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 8.088 -25.974 -2.193 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.332 -24.780 -0.953 1.00 1.41 H new ATOM 643 N ARG A 44 15.052 -24.456 -1.857 1.00 11.32 N ATOM 644 CA ARG A 44 16.294 -24.905 -2.478 1.00 5.43 C ATOM 645 C ARG A 44 15.989 -25.758 -3.712 1.00 3.31 C ATOM 646 O ARG A 44 15.073 -26.583 -3.698 1.00 13.14 O ATOM 647 CB ARG A 44 17.138 -25.693 -1.461 1.00 25.21 C ATOM 648 CG ARG A 44 16.521 -27.019 -1.024 1.00 12.21 C ATOM 649 CD ARG A 44 17.313 -27.669 0.104 1.00 42.25 C ATOM 650 NE ARG A 44 17.193 -26.932 1.366 1.00 33.10 N ATOM 651 CZ ARG A 44 18.166 -26.832 2.275 1.00 75.23 C ATOM 652 NH1 ARG A 44 19.359 -27.368 2.048 1.00 51.22 N ATOM 653 NH2 ARG A 44 17.950 -26.202 3.417 1.00 70.20 N ATOM 0 H ARG A 44 14.606 -25.153 -1.260 1.00 11.32 H new ATOM 0 HA ARG A 44 16.867 -24.035 -2.798 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.119 -25.888 -1.894 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.297 -25.072 -0.580 1.00 25.21 H new ATOM 0 HG2 ARG A 44 15.495 -26.852 -0.698 1.00 12.21 H new ATOM 0 HG3 ARG A 44 16.478 -27.698 -1.876 1.00 12.21 H new ATOM 0 HD2 ARG A 44 16.963 -28.691 0.248 1.00 42.25 H new ATOM 0 HD3 ARG A 44 18.364 -27.729 -0.181 1.00 42.25 H new ATOM 0 HE ARG A 44 16.308 -26.465 1.562 1.00 33.10 H new ATOM 0 HH11 ARG A 44 19.538 -27.861 1.173 1.00 51.22 H new ATOM 0 HH12 ARG A 44 20.096 -27.287 2.748 1.00 51.22 H new ATOM 0 HH21 ARG A 44 17.037 -25.790 3.607 1.00 70.20 H new ATOM 0 HH22 ARG A 44 18.697 -26.128 4.108 1.00 70.20 H new ATOM 667 N VAL A 45 16.752 -25.543 -4.780 1.00 33.52 N ATOM 668 CA VAL A 45 16.541 -26.247 -6.044 1.00 3.11 C ATOM 669 C VAL A 45 17.012 -27.703 -5.939 1.00 0.20 C ATOM 670 O VAL A 45 18.159 -27.970 -5.560 1.00 14.01 O ATOM 671 CB VAL A 45 17.295 -25.544 -7.204 1.00 42.52 C ATOM 672 CG1 VAL A 45 17.069 -26.276 -8.525 1.00 31.31 C ATOM 673 CG2 VAL A 45 16.874 -24.079 -7.314 1.00 40.23 C ATOM 0 H VAL A 45 17.528 -24.882 -4.796 1.00 33.52 H new ATOM 0 HA VAL A 45 15.472 -26.230 -6.256 1.00 3.11 H new ATOM 0 HB VAL A 45 18.362 -25.575 -6.982 1.00 42.52 H new ATOM 0 HG11 VAL A 45 17.608 -25.763 -9.322 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.434 -27.300 -8.441 1.00 31.31 H new ATOM 0 HG13 VAL A 45 16.004 -26.288 -8.757 1.00 31.31 H new ATOM 0 HG21 VAL A 45 17.415 -23.606 -8.133 1.00 40.23 H new ATOM 0 HG22 VAL A 45 15.802 -24.022 -7.505 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.104 -23.563 -6.382 1.00 40.23 H new ATOM 683 N VAL A 46 16.120 -28.638 -6.257 1.00 33.24 N ATOM 684 CA VAL A 46 16.444 -30.068 -6.240 1.00 13.35 C ATOM 685 C VAL A 46 16.655 -30.577 -7.662 1.00 21.32 C ATOM 686 O VAL A 46 17.441 -31.494 -7.900 1.00 22.43 O ATOM 687 CB VAL A 46 15.327 -30.898 -5.552 1.00 43.02 C ATOM 688 CG1 VAL A 46 14.836 -30.188 -4.301 1.00 54.42 C ATOM 689 CG2 VAL A 46 14.161 -31.184 -6.501 1.00 11.10 C ATOM 0 H VAL A 46 15.160 -28.432 -6.532 1.00 33.24 H new ATOM 0 HA VAL A 46 17.363 -30.190 -5.666 1.00 13.35 H new ATOM 0 HB VAL A 46 15.758 -31.858 -5.269 1.00 43.02 H new ATOM 0 HG11 VAL A 46 14.053 -30.782 -3.829 1.00 54.42 H new ATOM 0 HG12 VAL A 46 15.665 -30.062 -3.605 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.437 -29.210 -4.571 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.402 -31.767 -5.979 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.727 -30.243 -6.839 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.522 -31.746 -7.362 1.00 11.10 H new ATOM 699 N PHE A 47 15.935 -29.980 -8.601 1.00 63.21 N ATOM 700 CA PHE A 47 16.047 -30.326 -10.012 1.00 72.55 C ATOM 701 C PHE A 47 16.246 -29.042 -10.800 1.00 11.21 C ATOM 702 O PHE A 47 15.434 -28.124 -10.683 1.00 10.30 O ATOM 703 CB PHE A 47 14.778 -31.058 -10.486 1.00 21.25 C ATOM 704 CG PHE A 47 14.967 -31.914 -11.721 1.00 31.24 C ATOM 705 CD1 PHE A 47 15.490 -31.384 -12.894 1.00 33.42 C ATOM 706 CD2 PHE A 47 14.621 -33.258 -11.699 1.00 35.11 C ATOM 707 CE1 PHE A 47 15.660 -32.177 -14.015 1.00 40.53 C ATOM 708 CE2 PHE A 47 14.789 -34.052 -12.817 1.00 61.52 C ATOM 709 CZ PHE A 47 15.310 -33.511 -13.977 1.00 51.14 C ATOM 0 H PHE A 47 15.257 -29.243 -8.407 1.00 63.21 H new ATOM 0 HA PHE A 47 16.894 -30.994 -10.168 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.414 -31.689 -9.675 1.00 21.25 H new ATOM 0 HB3 PHE A 47 14.002 -30.319 -10.687 1.00 21.25 H new ATOM 0 HD1 PHE A 47 15.767 -30.341 -12.931 1.00 33.42 H new ATOM 0 HD2 PHE A 47 14.215 -33.689 -10.796 1.00 35.11 H new ATOM 0 HE1 PHE A 47 16.067 -31.751 -14.920 1.00 40.53 H new ATOM 0 HE2 PHE A 47 14.513 -35.096 -12.784 1.00 61.52 H new ATOM 0 HZ PHE A 47 15.443 -34.131 -14.851 1.00 51.14 H new ATOM 719 N GLY A 48 17.324 -28.975 -11.577 1.00 65.51 N ATOM 720 CA GLY A 48 17.650 -27.762 -12.312 1.00 3.32 C ATOM 721 C GLY A 48 16.679 -27.471 -13.442 1.00 73.14 C ATOM 722 O GLY A 48 15.664 -28.156 -13.591 1.00 32.53 O ATOM 0 H GLY A 48 17.982 -29.743 -11.712 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.659 -26.918 -11.622 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.657 -27.851 -12.720 1.00 3.32 H new ATOM 726 N GLU A 49 17.008 -26.463 -14.248 1.00 43.12 N ATOM 727 CA GLU A 49 16.163 -26.045 -15.364 1.00 43.14 C ATOM 728 C GLU A 49 15.877 -27.235 -16.285 1.00 60.45 C ATOM 729 O GLU A 49 16.789 -27.773 -16.917 1.00 2.22 O ATOM 730 CB GLU A 49 16.860 -24.928 -16.158 1.00 51.44 C ATOM 731 CG GLU A 49 17.341 -23.757 -15.305 1.00 44.04 C ATOM 732 CD GLU A 49 18.287 -22.834 -16.059 1.00 14.21 C ATOM 733 OE1 GLU A 49 19.492 -23.156 -16.149 1.00 63.23 O ATOM 734 OE2 GLU A 49 17.839 -21.785 -16.566 1.00 54.24 O ATOM 0 H GLU A 49 17.863 -25.916 -14.147 1.00 43.12 H new ATOM 0 HA GLU A 49 15.219 -25.669 -14.969 1.00 43.14 H new ATOM 0 HB2 GLU A 49 17.714 -25.352 -16.686 1.00 51.44 H new ATOM 0 HB3 GLU A 49 16.171 -24.552 -16.915 1.00 51.44 H new ATOM 0 HG2 GLU A 49 16.479 -23.185 -14.960 1.00 44.04 H new ATOM 0 HG3 GLU A 49 17.844 -24.141 -14.418 1.00 44.04 H new ATOM 741 N ALA A 50 14.620 -27.660 -16.334 1.00 15.04 N ATOM 742 CA ALA A 50 14.215 -28.795 -17.160 1.00 15.21 C ATOM 743 C ALA A 50 12.857 -28.538 -17.802 1.00 3.12 C ATOM 744 O ALA A 50 12.138 -27.621 -17.406 1.00 24.11 O ATOM 745 CB ALA A 50 14.172 -30.070 -16.324 1.00 15.15 C ATOM 0 H ALA A 50 13.857 -27.233 -15.808 1.00 15.04 H new ATOM 0 HA ALA A 50 14.951 -28.921 -17.954 1.00 15.21 H new ATOM 0 HB1 ALA A 50 13.869 -30.907 -16.953 1.00 15.15 H new ATOM 0 HB2 ALA A 50 15.161 -30.267 -15.910 1.00 15.15 H new ATOM 0 HB3 ALA A 50 13.456 -29.948 -15.511 1.00 15.15 H new ATOM 751 N SER A 51 12.518 -29.346 -18.798 1.00 24.24 N ATOM 752 CA SER A 51 11.239 -29.235 -19.486 1.00 52.43 C ATOM 753 C SER A 51 10.080 -29.580 -18.542 1.00 62.51 C ATOM 754 O SER A 51 10.241 -30.388 -17.624 1.00 55.12 O ATOM 755 CB SER A 51 11.250 -30.147 -20.719 1.00 22.31 C ATOM 756 OG SER A 51 11.848 -31.399 -20.423 1.00 22.35 O ATOM 0 H SER A 51 13.118 -30.092 -19.150 1.00 24.24 H new ATOM 0 HA SER A 51 11.090 -28.206 -19.812 1.00 52.43 H new ATOM 0 HB2 SER A 51 10.230 -30.302 -21.070 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.795 -29.662 -21.529 1.00 22.31 H new ATOM 0 HG SER A 51 11.841 -31.963 -21.225 1.00 22.35 H new ATOM 762 N ARG A 52 8.918 -28.972 -18.790 1.00 22.34 N ATOM 763 CA ARG A 52 7.744 -29.118 -17.922 1.00 33.32 C ATOM 764 C ARG A 52 7.478 -30.586 -17.576 1.00 54.14 C ATOM 765 O ARG A 52 7.318 -30.930 -16.406 1.00 52.31 O ATOM 766 CB ARG A 52 6.516 -28.511 -18.619 1.00 3.52 C ATOM 767 CG ARG A 52 5.241 -28.476 -17.773 1.00 42.23 C ATOM 768 CD ARG A 52 5.330 -27.456 -16.640 1.00 23.53 C ATOM 769 NE ARG A 52 4.029 -27.243 -15.994 1.00 22.00 N ATOM 770 CZ ARG A 52 3.680 -26.124 -15.350 1.00 21.21 C ATOM 771 NH1 ARG A 52 4.554 -25.140 -15.187 1.00 61.40 N ATOM 772 NH2 ARG A 52 2.459 -25.987 -14.852 1.00 1.50 N ATOM 0 H ARG A 52 8.763 -28.366 -19.596 1.00 22.34 H new ATOM 0 HA ARG A 52 7.941 -28.589 -16.989 1.00 33.32 H new ATOM 0 HB2 ARG A 52 6.758 -27.494 -18.926 1.00 3.52 H new ATOM 0 HB3 ARG A 52 6.315 -29.079 -19.527 1.00 3.52 H new ATOM 0 HG2 ARG A 52 4.390 -28.235 -18.410 1.00 42.23 H new ATOM 0 HG3 ARG A 52 5.057 -29.466 -17.355 1.00 42.23 H new ATOM 0 HD2 ARG A 52 6.052 -27.798 -15.899 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.700 -26.509 -17.032 1.00 23.53 H new ATOM 0 HE ARG A 52 3.346 -27.999 -16.039 1.00 22.00 H new ATOM 0 HH11 ARG A 52 5.501 -25.233 -15.554 1.00 61.40 H new ATOM 0 HH12 ARG A 52 4.279 -24.290 -14.695 1.00 61.40 H new ATOM 0 HH21 ARG A 52 1.777 -26.738 -14.959 1.00 1.50 H new ATOM 0 HH22 ARG A 52 2.201 -25.130 -14.362 1.00 1.50 H new ATOM 786 N ALA A 53 7.450 -31.441 -18.597 1.00 30.50 N ATOM 787 CA ALA A 53 7.161 -32.865 -18.415 1.00 22.15 C ATOM 788 C ALA A 53 8.097 -33.504 -17.384 1.00 62.54 C ATOM 789 O ALA A 53 7.653 -34.235 -16.494 1.00 54.12 O ATOM 790 CB ALA A 53 7.263 -33.595 -19.751 1.00 32.44 C ATOM 0 H ALA A 53 7.625 -31.171 -19.565 1.00 30.50 H new ATOM 0 HA ALA A 53 6.143 -32.954 -18.035 1.00 22.15 H new ATOM 0 HB1 ALA A 53 7.046 -34.653 -19.605 1.00 32.44 H new ATOM 0 HB2 ALA A 53 6.545 -33.171 -20.453 1.00 32.44 H new ATOM 0 HB3 ALA A 53 8.271 -33.483 -20.151 1.00 32.44 H new ATOM 796 N SER A 54 9.387 -33.203 -17.501 1.00 73.43 N ATOM 797 CA SER A 54 10.400 -33.755 -16.605 1.00 14.52 C ATOM 798 C SER A 54 10.104 -33.356 -15.158 1.00 44.42 C ATOM 799 O SER A 54 10.069 -34.196 -14.247 1.00 24.13 O ATOM 800 CB SER A 54 11.783 -33.236 -17.022 1.00 35.32 C ATOM 801 OG SER A 54 11.950 -33.323 -18.430 1.00 32.13 O ATOM 0 H SER A 54 9.758 -32.575 -18.214 1.00 73.43 H new ATOM 0 HA SER A 54 10.384 -34.843 -16.673 1.00 14.52 H new ATOM 0 HB2 SER A 54 11.900 -32.201 -16.700 1.00 35.32 H new ATOM 0 HB3 SER A 54 12.560 -33.815 -16.522 1.00 35.32 H new ATOM 0 HG SER A 54 11.844 -32.434 -18.828 1.00 32.13 H new ATOM 807 N CYS A 55 9.872 -32.061 -14.973 1.00 64.42 N ATOM 808 CA CYS A 55 9.580 -31.495 -13.666 1.00 0.12 C ATOM 809 C CYS A 55 8.349 -32.167 -13.055 1.00 61.34 C ATOM 810 O CYS A 55 8.354 -32.561 -11.885 1.00 2.11 O ATOM 811 CB CYS A 55 9.351 -29.986 -13.806 1.00 24.25 C ATOM 812 SG CYS A 55 10.667 -29.124 -14.703 1.00 34.22 S ATOM 0 H CYS A 55 9.882 -31.375 -15.728 1.00 64.42 H new ATOM 0 HA CYS A 55 10.426 -31.670 -13.002 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.404 -29.818 -14.320 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.256 -29.549 -12.812 1.00 24.25 H new ATOM 0 HG CYS A 55 10.668 -29.507 -15.945 1.00 34.22 H new ATOM 818 N VAL A 56 7.311 -32.317 -13.877 1.00 30.54 N ATOM 819 CA VAL A 56 6.059 -32.930 -13.448 1.00 40.14 C ATOM 820 C VAL A 56 6.295 -34.354 -12.956 1.00 14.44 C ATOM 821 O VAL A 56 5.827 -34.728 -11.881 1.00 25.45 O ATOM 822 CB VAL A 56 5.018 -32.939 -14.597 1.00 40.34 C ATOM 823 CG1 VAL A 56 3.763 -33.715 -14.199 1.00 63.11 C ATOM 824 CG2 VAL A 56 4.659 -31.511 -15.000 1.00 22.04 C ATOM 0 H VAL A 56 7.316 -32.019 -14.852 1.00 30.54 H new ATOM 0 HA VAL A 56 5.665 -32.331 -12.627 1.00 40.14 H new ATOM 0 HB VAL A 56 5.465 -33.443 -15.454 1.00 40.34 H new ATOM 0 HG11 VAL A 56 3.051 -33.704 -15.025 1.00 63.11 H new ATOM 0 HG12 VAL A 56 4.031 -34.745 -13.965 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.310 -33.250 -13.323 1.00 63.11 H new ATOM 0 HG21 VAL A 56 3.927 -31.534 -15.808 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.237 -30.986 -14.143 1.00 22.04 H new ATOM 0 HG23 VAL A 56 5.556 -30.992 -15.338 1.00 22.04 H new ATOM 834 N GLU A 57 7.036 -35.136 -13.741 1.00 20.53 N ATOM 835 CA GLU A 57 7.333 -36.521 -13.383 1.00 63.13 C ATOM 836 C GLU A 57 8.077 -36.589 -12.050 1.00 50.11 C ATOM 837 O GLU A 57 7.727 -37.383 -11.173 1.00 23.30 O ATOM 838 CB GLU A 57 8.166 -37.209 -14.475 1.00 41.24 C ATOM 839 CG GLU A 57 8.497 -38.665 -14.153 1.00 22.23 C ATOM 840 CD GLU A 57 9.357 -39.335 -15.213 1.00 72.21 C ATOM 841 OE1 GLU A 57 10.595 -39.148 -15.191 1.00 2.33 O ATOM 842 OE2 GLU A 57 8.805 -40.066 -16.062 1.00 62.23 O ATOM 0 H GLU A 57 7.441 -34.834 -14.627 1.00 20.53 H new ATOM 0 HA GLU A 57 6.382 -37.045 -13.287 1.00 63.13 H new ATOM 0 HB2 GLU A 57 7.622 -37.167 -15.418 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.094 -36.655 -14.618 1.00 41.24 H new ATOM 0 HG2 GLU A 57 9.014 -38.709 -13.194 1.00 22.23 H new ATOM 0 HG3 GLU A 57 7.569 -39.225 -14.041 1.00 22.23 H new ATOM 849 N TYR A 58 9.098 -35.745 -11.894 1.00 31.40 N ATOM 850 CA TYR A 58 9.908 -35.755 -10.678 1.00 21.01 C ATOM 851 C TYR A 58 9.030 -35.507 -9.451 1.00 34.14 C ATOM 852 O TYR A 58 9.025 -36.303 -8.506 1.00 14.54 O ATOM 853 CB TYR A 58 11.030 -34.708 -10.747 1.00 21.12 C ATOM 854 CG TYR A 58 11.973 -34.755 -9.554 1.00 75.13 C ATOM 855 CD1 TYR A 58 13.068 -35.616 -9.542 1.00 72.45 C ATOM 856 CD2 TYR A 58 11.763 -33.951 -8.439 1.00 60.21 C ATOM 857 CE1 TYR A 58 13.924 -35.669 -8.456 1.00 61.43 C ATOM 858 CE2 TYR A 58 12.613 -34.002 -7.350 1.00 50.22 C ATOM 859 CZ TYR A 58 13.693 -34.861 -7.364 1.00 32.20 C ATOM 860 OH TYR A 58 14.540 -34.914 -6.279 1.00 3.54 O ATOM 0 H TYR A 58 9.381 -35.053 -12.588 1.00 31.40 H new ATOM 0 HA TYR A 58 10.369 -36.739 -10.592 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.604 -34.861 -11.661 1.00 21.12 H new ATOM 0 HB3 TYR A 58 10.586 -33.714 -10.812 1.00 21.12 H new ATOM 0 HD1 TYR A 58 13.252 -36.253 -10.395 1.00 72.45 H new ATOM 0 HD2 TYR A 58 10.921 -33.275 -8.424 1.00 60.21 H new ATOM 0 HE1 TYR A 58 14.770 -36.341 -8.464 1.00 61.43 H new ATOM 0 HE2 TYR A 58 12.433 -33.372 -6.492 1.00 50.22 H new ATOM 0 HH TYR A 58 14.236 -34.280 -5.596 1.00 3.54 H new ATOM 870 N VAL A 59 8.301 -34.393 -9.468 1.00 73.44 N ATOM 871 CA VAL A 59 7.366 -34.062 -8.392 1.00 43.10 C ATOM 872 C VAL A 59 6.358 -35.196 -8.165 1.00 65.21 C ATOM 873 O VAL A 59 6.117 -35.594 -7.024 1.00 73.20 O ATOM 874 CB VAL A 59 6.599 -32.746 -8.690 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.654 -32.392 -7.543 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.572 -31.600 -8.960 1.00 61.22 C ATOM 0 H VAL A 59 8.339 -33.702 -10.217 1.00 73.44 H new ATOM 0 HA VAL A 59 7.960 -33.926 -7.488 1.00 43.10 H new ATOM 0 HB VAL A 59 5.999 -32.903 -9.586 1.00 52.21 H new ATOM 0 HG11 VAL A 59 5.129 -31.466 -7.777 1.00 2.35 H new ATOM 0 HG12 VAL A 59 4.930 -33.195 -7.407 1.00 2.35 H new ATOM 0 HG13 VAL A 59 6.228 -32.262 -6.626 1.00 2.35 H new ATOM 0 HG21 VAL A 59 7.012 -30.688 -9.166 1.00 61.22 H new ATOM 0 HG22 VAL A 59 8.205 -31.447 -8.086 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.194 -31.846 -9.820 1.00 61.22 H new ATOM 886 N ASP A 60 5.810 -35.733 -9.262 1.00 75.12 N ATOM 887 CA ASP A 60 4.762 -36.767 -9.203 1.00 61.12 C ATOM 888 C ASP A 60 5.194 -37.959 -8.349 1.00 13.10 C ATOM 889 O ASP A 60 4.379 -38.578 -7.657 1.00 12.42 O ATOM 890 CB ASP A 60 4.392 -37.243 -10.618 1.00 0.13 C ATOM 891 CG ASP A 60 3.274 -38.281 -10.623 1.00 0.51 C ATOM 892 OD1 ASP A 60 2.100 -37.901 -10.430 1.00 73.32 O ATOM 893 OD2 ASP A 60 3.563 -39.480 -10.834 1.00 71.44 O ATOM 0 H ASP A 60 6.076 -35.468 -10.210 1.00 75.12 H new ATOM 0 HA ASP A 60 3.886 -36.316 -8.736 1.00 61.12 H new ATOM 0 HB2 ASP A 60 4.086 -36.385 -11.216 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.276 -37.666 -11.096 1.00 0.13 H new ATOM 898 N GLN A 61 6.479 -38.275 -8.397 1.00 23.32 N ATOM 899 CA GLN A 61 7.032 -39.379 -7.620 1.00 62.44 C ATOM 900 C GLN A 61 7.272 -38.958 -6.165 1.00 1.45 C ATOM 901 O GLN A 61 7.096 -39.752 -5.238 1.00 71.45 O ATOM 902 CB GLN A 61 8.353 -39.848 -8.248 1.00 35.42 C ATOM 903 CG GLN A 61 8.234 -40.252 -9.716 1.00 44.34 C ATOM 904 CD GLN A 61 7.356 -41.474 -9.928 1.00 0.31 C ATOM 905 OE1 GLN A 61 6.142 -41.363 -10.102 1.00 50.34 O ATOM 906 NE2 GLN A 61 7.961 -42.650 -9.926 1.00 74.24 N ATOM 0 H GLN A 61 7.164 -37.781 -8.969 1.00 23.32 H new ATOM 0 HA GLN A 61 6.313 -40.198 -7.628 1.00 62.44 H new ATOM 0 HB2 GLN A 61 9.089 -39.049 -8.160 1.00 35.42 H new ATOM 0 HB3 GLN A 61 8.734 -40.696 -7.678 1.00 35.42 H new ATOM 0 HG2 GLN A 61 7.827 -39.416 -10.285 1.00 44.34 H new ATOM 0 HG3 GLN A 61 9.229 -40.453 -10.113 1.00 44.34 H new ATOM 0 HE21 GLN A 61 8.969 -42.705 -9.779 1.00 74.24 H new ATOM 0 HE22 GLN A 61 7.420 -43.502 -10.072 1.00 74.24 H new ATOM 915 N HIS A 62 7.680 -37.702 -5.983 1.00 24.43 N ATOM 916 CA HIS A 62 8.168 -37.206 -4.689 1.00 12.13 C ATOM 917 C HIS A 62 7.098 -36.502 -3.833 1.00 73.21 C ATOM 918 O HIS A 62 7.444 -35.832 -2.858 1.00 73.04 O ATOM 919 CB HIS A 62 9.372 -36.284 -4.914 1.00 15.25 C ATOM 920 CG HIS A 62 10.589 -37.026 -5.379 1.00 73.13 C ATOM 921 ND1 HIS A 62 10.809 -37.372 -6.696 1.00 73.44 N ATOM 922 CD2 HIS A 62 11.642 -37.519 -4.686 1.00 44.25 C ATOM 923 CE1 HIS A 62 11.940 -38.044 -6.787 1.00 2.04 C ATOM 924 NE2 HIS A 62 12.464 -38.146 -5.585 1.00 65.22 N ATOM 0 H HIS A 62 7.683 -37.000 -6.723 1.00 24.43 H new ATOM 0 HA HIS A 62 8.462 -38.084 -4.114 1.00 12.13 H new ATOM 0 HB2 HIS A 62 9.110 -35.525 -5.651 1.00 15.25 H new ATOM 0 HB3 HIS A 62 9.603 -35.761 -3.986 1.00 15.25 H new ATOM 0 HD1 HIS A 62 10.194 -37.144 -7.477 1.00 73.44 H new ATOM 0 HD2 HIS A 62 11.804 -37.434 -3.622 1.00 44.25 H new ATOM 0 HE1 HIS A 62 12.365 -38.444 -7.696 1.00 2.04 H new ATOM 933 N TRP A 63 5.819 -36.643 -4.184 1.00 60.44 N ATOM 934 CA TRP A 63 4.727 -36.038 -3.391 1.00 71.34 C ATOM 935 C TRP A 63 4.741 -36.527 -1.935 1.00 41.12 C ATOM 936 O TRP A 63 4.171 -35.879 -1.054 1.00 70.10 O ATOM 937 CB TRP A 63 3.351 -36.352 -4.005 1.00 63.22 C ATOM 938 CG TRP A 63 3.007 -35.541 -5.222 1.00 41.44 C ATOM 939 CD1 TRP A 63 2.965 -35.978 -6.510 1.00 1.51 C ATOM 940 CD2 TRP A 63 2.640 -34.156 -5.259 1.00 15.33 C ATOM 941 NE1 TRP A 63 2.609 -34.952 -7.349 1.00 61.23 N ATOM 942 CE2 TRP A 63 2.404 -33.822 -6.606 1.00 5.13 C ATOM 943 CE3 TRP A 63 2.497 -33.164 -4.286 1.00 13.11 C ATOM 944 CZ2 TRP A 63 2.024 -32.542 -7.003 1.00 75.22 C ATOM 945 CZ3 TRP A 63 2.120 -31.893 -4.680 1.00 11.13 C ATOM 946 CH2 TRP A 63 1.890 -31.591 -6.029 1.00 44.21 C ATOM 0 H TRP A 63 5.507 -37.164 -5.003 1.00 60.44 H new ATOM 0 HA TRP A 63 4.896 -34.961 -3.406 1.00 71.34 H new ATOM 0 HB2 TRP A 63 3.319 -37.409 -4.268 1.00 63.22 H new ATOM 0 HB3 TRP A 63 2.584 -36.189 -3.248 1.00 63.22 H new ATOM 0 HD1 TRP A 63 3.181 -36.988 -6.827 1.00 1.51 H new ATOM 0 HE1 TRP A 63 2.513 -35.021 -8.362 1.00 61.23 H new ATOM 0 HE3 TRP A 63 2.678 -33.386 -3.245 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 1.842 -32.309 -8.042 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 2.001 -31.120 -3.935 1.00 11.13 H new ATOM 0 HH2 TRP A 63 1.601 -30.588 -6.305 1.00 44.21 H new ATOM 957 N THR A 64 5.389 -37.670 -1.711 1.00 15.20 N ATOM 958 CA THR A 64 5.438 -38.339 -0.407 1.00 15.11 C ATOM 959 C THR A 64 5.522 -37.379 0.791 1.00 62.45 C ATOM 960 O THR A 64 4.548 -37.225 1.535 1.00 30.34 O ATOM 961 CB THR A 64 6.603 -39.361 -0.351 1.00 50.23 C ATOM 962 OG1 THR A 64 6.943 -39.689 1.010 1.00 30.31 O ATOM 963 CG2 THR A 64 7.818 -38.821 -1.074 1.00 51.44 C ATOM 0 H THR A 64 5.903 -38.166 -2.439 1.00 15.20 H new ATOM 0 HA THR A 64 4.485 -38.859 -0.316 1.00 15.11 H new ATOM 0 HB THR A 64 6.271 -40.272 -0.849 1.00 50.23 H new ATOM 0 HG1 THR A 64 7.679 -40.336 1.016 1.00 30.31 H new ATOM 0 HG21 THR A 64 8.625 -39.552 -1.024 1.00 51.44 H new ATOM 0 HG22 THR A 64 7.566 -38.630 -2.117 1.00 51.44 H new ATOM 0 HG23 THR A 64 8.139 -37.892 -0.602 1.00 51.44 H new ATOM 971 N ASP A 65 6.665 -36.724 0.973 1.00 40.42 N ATOM 972 CA ASP A 65 6.938 -36.006 2.221 1.00 24.01 C ATOM 973 C ASP A 65 6.541 -34.534 2.142 1.00 55.12 C ATOM 974 O ASP A 65 6.946 -33.820 1.224 1.00 53.31 O ATOM 975 CB ASP A 65 8.423 -36.123 2.594 1.00 53.54 C ATOM 976 CG ASP A 65 8.849 -37.563 2.829 1.00 25.00 C ATOM 977 OD1 ASP A 65 8.525 -38.125 3.897 1.00 23.21 O ATOM 978 OD2 ASP A 65 9.503 -38.146 1.938 1.00 73.45 O ATOM 0 H ASP A 65 7.413 -36.673 0.281 1.00 40.42 H new ATOM 0 HA ASP A 65 6.328 -36.472 2.995 1.00 24.01 H new ATOM 0 HB2 ASP A 65 9.030 -35.693 1.797 1.00 53.54 H new ATOM 0 HB3 ASP A 65 8.616 -35.538 3.493 1.00 53.54 H new ATOM 983 N ILE A 66 5.727 -34.109 3.110 1.00 10.53 N ATOM 984 CA ILE A 66 5.378 -32.703 3.328 1.00 43.50 C ATOM 985 C ILE A 66 5.155 -32.506 4.830 1.00 44.02 C ATOM 986 O ILE A 66 4.096 -32.857 5.353 1.00 1.50 O ATOM 987 CB ILE A 66 4.097 -32.264 2.555 1.00 55.33 C ATOM 988 CG1 ILE A 66 4.288 -32.422 1.033 1.00 3.24 C ATOM 989 CG2 ILE A 66 3.732 -30.818 2.902 1.00 4.12 C ATOM 990 CD1 ILE A 66 3.076 -32.030 0.209 1.00 50.03 C ATOM 0 H ILE A 66 5.284 -34.742 3.776 1.00 10.53 H new ATOM 0 HA ILE A 66 6.195 -32.087 2.951 1.00 43.50 H new ATOM 0 HB ILE A 66 3.277 -32.914 2.862 1.00 55.33 H new ATOM 0 HG12 ILE A 66 5.138 -31.815 0.720 1.00 3.24 H new ATOM 0 HG13 ILE A 66 4.540 -33.460 0.816 1.00 3.24 H new ATOM 0 HG21 ILE A 66 2.836 -30.527 2.354 1.00 4.12 H new ATOM 0 HG22 ILE A 66 3.545 -30.737 3.973 1.00 4.12 H new ATOM 0 HG23 ILE A 66 4.555 -30.159 2.627 1.00 4.12 H new ATOM 0 HD11 ILE A 66 3.295 -32.171 -0.850 1.00 50.03 H new ATOM 0 HD12 ILE A 66 2.227 -32.654 0.491 1.00 50.03 H new ATOM 0 HD13 ILE A 66 2.834 -30.983 0.393 1.00 50.03 H new ATOM 1002 N ARG A 67 6.157 -31.957 5.515 1.00 43.45 N ATOM 1003 CA ARG A 67 6.182 -31.938 6.981 1.00 13.13 C ATOM 1004 C ARG A 67 4.923 -31.286 7.588 1.00 1.21 C ATOM 1005 O ARG A 67 4.272 -31.900 8.434 1.00 12.22 O ATOM 1006 CB ARG A 67 7.463 -31.256 7.495 1.00 43.33 C ATOM 1007 CG ARG A 67 7.670 -31.368 9.003 1.00 74.24 C ATOM 1008 CD ARG A 67 7.649 -32.820 9.477 1.00 40.03 C ATOM 1009 NE ARG A 67 8.559 -33.671 8.708 1.00 51.24 N ATOM 1010 CZ ARG A 67 8.918 -34.907 9.063 1.00 52.53 C ATOM 1011 NH1 ARG A 67 8.443 -35.460 10.175 1.00 23.02 N ATOM 1012 NH2 ARG A 67 9.743 -35.594 8.288 1.00 54.53 N ATOM 0 H ARG A 67 6.967 -31.517 5.078 1.00 43.45 H new ATOM 0 HA ARG A 67 6.184 -32.976 7.313 1.00 13.13 H new ATOM 0 HB2 ARG A 67 8.323 -31.694 6.988 1.00 43.33 H new ATOM 0 HB3 ARG A 67 7.435 -30.201 7.221 1.00 43.33 H new ATOM 0 HG2 ARG A 67 8.623 -30.912 9.273 1.00 74.24 H new ATOM 0 HG3 ARG A 67 6.891 -30.807 9.519 1.00 74.24 H new ATOM 0 HD2 ARG A 67 7.923 -32.859 10.531 1.00 40.03 H new ATOM 0 HD3 ARG A 67 6.635 -33.211 9.396 1.00 40.03 H new ATOM 0 HE ARG A 67 8.945 -33.294 7.842 1.00 51.24 H new ATOM 0 HH11 ARG A 67 7.797 -34.939 10.768 1.00 23.02 H new ATOM 0 HH12 ARG A 67 8.725 -36.405 10.435 1.00 23.02 H new ATOM 0 HH21 ARG A 67 10.099 -35.178 7.427 1.00 54.53 H new ATOM 0 HH22 ARG A 67 10.022 -36.539 8.552 1.00 54.53 H new ATOM 1026 N PRO A 68 4.559 -30.038 7.189 1.00 23.24 N ATOM 1027 CA PRO A 68 3.326 -29.385 7.668 1.00 52.12 C ATOM 1028 C PRO A 68 2.080 -30.253 7.479 1.00 32.14 C ATOM 1029 O PRO A 68 1.118 -30.132 8.241 1.00 54.14 O ATOM 1030 CB PRO A 68 3.221 -28.125 6.800 1.00 22.20 C ATOM 1031 CG PRO A 68 4.625 -27.815 6.425 1.00 33.01 C ATOM 1032 CD PRO A 68 5.329 -29.141 6.301 1.00 50.32 C ATOM 0 HA PRO A 68 3.375 -29.186 8.739 1.00 52.12 H new ATOM 0 HB2 PRO A 68 2.604 -28.300 5.919 1.00 22.20 H new ATOM 0 HB3 PRO A 68 2.765 -27.301 7.349 1.00 22.20 H new ATOM 0 HG2 PRO A 68 4.664 -27.264 5.485 1.00 33.01 H new ATOM 0 HG3 PRO A 68 5.101 -27.191 7.181 1.00 33.01 H new ATOM 0 HD2 PRO A 68 5.327 -29.500 5.272 1.00 50.32 H new ATOM 0 HD3 PRO A 68 6.371 -29.070 6.611 1.00 50.32 H new ATOM 1040 N LYS A 69 2.118 -31.126 6.466 1.00 33.43 N ATOM 1041 CA LYS A 69 0.971 -31.961 6.098 1.00 33.10 C ATOM 1042 C LYS A 69 -0.178 -31.063 5.622 1.00 23.31 C ATOM 1043 O LYS A 69 -0.856 -30.422 6.428 1.00 52.50 O ATOM 1044 CB LYS A 69 0.549 -32.853 7.289 1.00 52.20 C ATOM 1045 CG LYS A 69 -0.350 -34.041 6.929 1.00 34.14 C ATOM 1046 CD LYS A 69 -1.787 -33.625 6.624 1.00 43.14 C ATOM 1047 CE LYS A 69 -2.680 -34.832 6.368 1.00 61.40 C ATOM 1048 NZ LYS A 69 -2.771 -35.725 7.553 1.00 11.42 N ATOM 0 H LYS A 69 2.941 -31.273 5.881 1.00 33.43 H new ATOM 0 HA LYS A 69 1.246 -32.627 5.280 1.00 33.10 H new ATOM 0 HB2 LYS A 69 1.448 -33.233 7.774 1.00 52.20 H new ATOM 0 HB3 LYS A 69 0.030 -32.233 8.020 1.00 52.20 H new ATOM 0 HG2 LYS A 69 0.066 -34.556 6.063 1.00 34.14 H new ATOM 0 HG3 LYS A 69 -0.350 -34.754 7.754 1.00 34.14 H new ATOM 0 HD2 LYS A 69 -2.184 -33.049 7.460 1.00 43.14 H new ATOM 0 HD3 LYS A 69 -1.799 -32.971 5.752 1.00 43.14 H new ATOM 0 HE2 LYS A 69 -3.679 -34.491 6.094 1.00 61.40 H new ATOM 0 HE3 LYS A 69 -2.292 -35.396 5.520 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 -3.579 -36.370 7.441 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 -1.895 -36.279 7.638 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 -2.902 -35.152 8.411 1.00 11.42 H new ATOM 1062 N SER A 70 -0.379 -31.009 4.308 1.00 2.31 N ATOM 1063 CA SER A 70 -1.359 -30.100 3.713 1.00 33.04 C ATOM 1064 C SER A 70 -2.124 -30.802 2.587 1.00 22.05 C ATOM 1065 O SER A 70 -2.102 -32.033 2.484 1.00 32.33 O ATOM 1066 CB SER A 70 -0.641 -28.847 3.183 1.00 21.44 C ATOM 1067 OG SER A 70 -1.565 -27.847 2.773 1.00 12.21 O ATOM 0 H SER A 70 0.124 -31.584 3.633 1.00 2.31 H new ATOM 0 HA SER A 70 -2.079 -29.800 4.474 1.00 33.04 H new ATOM 0 HB2 SER A 70 0.010 -28.445 3.959 1.00 21.44 H new ATOM 0 HB3 SER A 70 -0.004 -29.121 2.342 1.00 21.44 H new ATOM 0 HG SER A 70 -1.475 -27.694 1.809 1.00 12.21 H new ATOM 1073 N LEU A 71 -2.809 -30.018 1.758 1.00 31.13 N ATOM 1074 CA LEU A 71 -3.565 -30.549 0.628 1.00 15.23 C ATOM 1075 C LEU A 71 -3.238 -29.766 -0.641 1.00 23.01 C ATOM 1076 O LEU A 71 -2.834 -28.603 -0.573 1.00 0.43 O ATOM 1077 CB LEU A 71 -5.080 -30.509 0.903 1.00 13.44 C ATOM 1078 CG LEU A 71 -5.722 -29.112 1.017 1.00 41.44 C ATOM 1079 CD1 LEU A 71 -7.242 -29.230 1.051 1.00 51.23 C ATOM 1080 CD2 LEU A 71 -5.218 -28.368 2.255 1.00 31.11 C ATOM 0 H LEU A 71 -2.855 -29.003 1.850 1.00 31.13 H new ATOM 0 HA LEU A 71 -3.275 -31.590 0.488 1.00 15.23 H new ATOM 0 HB2 LEU A 71 -5.586 -31.053 0.105 1.00 13.44 H new ATOM 0 HB3 LEU A 71 -5.273 -31.050 1.830 1.00 13.44 H new ATOM 0 HG LEU A 71 -5.431 -28.536 0.139 1.00 41.44 H new ATOM 0 HD11 LEU A 71 -7.682 -28.236 1.132 1.00 51.23 H new ATOM 0 HD12 LEU A 71 -7.590 -29.708 0.135 1.00 51.23 H new ATOM 0 HD13 LEU A 71 -7.541 -29.830 1.910 1.00 51.23 H new ATOM 0 HD21 LEU A 71 -5.689 -27.387 2.307 1.00 31.11 H new ATOM 0 HD22 LEU A 71 -5.468 -28.938 3.149 1.00 31.11 H new ATOM 0 HD23 LEU A 71 -4.136 -28.248 2.192 1.00 31.11 H new ATOM 1092 N ARG A 72 -3.412 -30.410 -1.788 1.00 14.22 N ATOM 1093 CA ARG A 72 -3.119 -29.799 -3.082 1.00 4.30 C ATOM 1094 C ARG A 72 -3.683 -30.690 -4.189 1.00 30.11 C ATOM 1095 O ARG A 72 -4.145 -31.804 -3.910 1.00 10.34 O ATOM 1096 CB ARG A 72 -1.595 -29.625 -3.256 1.00 53.44 C ATOM 1097 CG ARG A 72 -1.191 -28.770 -4.458 1.00 5.31 C ATOM 1098 CD ARG A 72 -1.562 -27.303 -4.261 1.00 1.01 C ATOM 1099 NE ARG A 72 -1.461 -26.543 -5.510 1.00 45.33 N ATOM 1100 CZ ARG A 72 -0.427 -25.770 -5.845 1.00 12.43 C ATOM 1101 NH1 ARG A 72 0.627 -25.662 -5.039 1.00 54.12 N ATOM 1102 NH2 ARG A 72 -0.444 -25.117 -7.000 1.00 3.22 N ATOM 0 H ARG A 72 -3.759 -31.367 -1.850 1.00 14.22 H new ATOM 0 HA ARG A 72 -3.582 -28.814 -3.136 1.00 4.30 H new ATOM 0 HB2 ARG A 72 -1.187 -29.174 -2.351 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -1.138 -30.610 -3.356 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -0.116 -28.855 -4.619 1.00 5.31 H new ATOM 0 HG3 ARG A 72 -1.679 -29.151 -5.355 1.00 5.31 H new ATOM 0 HD2 ARG A 72 -2.579 -27.234 -3.875 1.00 1.01 H new ATOM 0 HD3 ARG A 72 -0.906 -26.860 -3.512 1.00 1.01 H new ATOM 0 HE ARG A 72 -2.236 -26.610 -6.170 1.00 45.33 H new ATOM 0 HH11 ARG A 72 0.649 -26.173 -4.156 1.00 54.12 H new ATOM 0 HH12 ARG A 72 1.413 -25.068 -5.304 1.00 54.12 H new ATOM 0 HH21 ARG A 72 -1.245 -25.208 -7.625 1.00 3.22 H new ATOM 0 HH22 ARG A 72 0.343 -24.524 -7.262 1.00 3.22 H new ATOM 1116 N GLU A 73 -3.664 -30.201 -5.428 1.00 64.25 N ATOM 1117 CA GLU A 73 -4.087 -30.996 -6.577 1.00 44.44 C ATOM 1118 C GLU A 73 -3.298 -32.306 -6.614 1.00 24.34 C ATOM 1119 O GLU A 73 -2.104 -32.317 -6.919 1.00 70.21 O ATOM 1120 CB GLU A 73 -3.887 -30.228 -7.901 1.00 2.40 C ATOM 1121 CG GLU A 73 -4.658 -28.909 -8.011 1.00 2.13 C ATOM 1122 CD GLU A 73 -3.998 -27.757 -7.262 1.00 51.34 C ATOM 1123 OE1 GLU A 73 -4.263 -27.594 -6.055 1.00 3.40 O ATOM 1124 OE2 GLU A 73 -3.201 -27.015 -7.880 1.00 61.01 O ATOM 0 H GLU A 73 -3.359 -29.256 -5.661 1.00 64.25 H new ATOM 0 HA GLU A 73 -5.151 -31.207 -6.469 1.00 44.44 H new ATOM 0 HB2 GLU A 73 -2.824 -30.021 -8.026 1.00 2.40 H new ATOM 0 HB3 GLU A 73 -4.185 -30.875 -8.726 1.00 2.40 H new ATOM 0 HG2 GLU A 73 -4.755 -28.640 -9.063 1.00 2.13 H new ATOM 0 HG3 GLU A 73 -5.667 -29.053 -7.624 1.00 2.13 H new ATOM 1131 N LYS A 74 -3.967 -33.400 -6.273 1.00 70.24 N ATOM 1132 CA LYS A 74 -3.335 -34.711 -6.237 1.00 22.11 C ATOM 1133 C LYS A 74 -3.018 -35.183 -7.655 1.00 62.44 C ATOM 1134 O LYS A 74 -3.913 -35.565 -8.413 1.00 64.25 O ATOM 1135 CB LYS A 74 -4.233 -35.729 -5.503 1.00 3.23 C ATOM 1136 CG LYS A 74 -3.668 -36.200 -4.159 1.00 3.54 C ATOM 1137 CD LYS A 74 -3.487 -35.062 -3.147 1.00 75.42 C ATOM 1138 CE LYS A 74 -4.805 -34.621 -2.504 1.00 24.23 C ATOM 1139 NZ LYS A 74 -5.743 -33.995 -3.473 1.00 24.03 N ATOM 0 H LYS A 74 -4.954 -33.404 -6.016 1.00 70.24 H new ATOM 0 HA LYS A 74 -2.399 -34.632 -5.684 1.00 22.11 H new ATOM 0 HB2 LYS A 74 -5.213 -35.281 -5.337 1.00 3.23 H new ATOM 0 HB3 LYS A 74 -4.384 -36.596 -6.146 1.00 3.23 H new ATOM 0 HG2 LYS A 74 -4.334 -36.951 -3.735 1.00 3.54 H new ATOM 0 HG3 LYS A 74 -2.706 -36.685 -4.326 1.00 3.54 H new ATOM 0 HD2 LYS A 74 -2.797 -35.383 -2.366 1.00 75.42 H new ATOM 0 HD3 LYS A 74 -3.029 -34.208 -3.646 1.00 75.42 H new ATOM 0 HE2 LYS A 74 -5.287 -35.485 -2.047 1.00 24.23 H new ATOM 0 HE3 LYS A 74 -4.593 -33.913 -1.703 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 -6.484 -33.480 -2.956 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 -5.222 -33.333 -4.082 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 -6.180 -34.734 -4.060 1.00 24.03 H new ATOM 1153 N LEU A 75 -1.740 -35.114 -8.007 1.00 35.34 N ATOM 1154 CA LEU A 75 -1.265 -35.527 -9.321 1.00 23.12 C ATOM 1155 C LEU A 75 -1.033 -37.038 -9.348 1.00 31.02 C ATOM 1156 O LEU A 75 -0.606 -37.622 -8.347 1.00 35.24 O ATOM 1157 CB LEU A 75 0.035 -34.780 -9.656 1.00 12.51 C ATOM 1158 CG LEU A 75 0.617 -35.054 -11.051 1.00 13.42 C ATOM 1159 CD1 LEU A 75 -0.338 -34.597 -12.150 1.00 51.34 C ATOM 1160 CD2 LEU A 75 1.976 -34.380 -11.201 1.00 72.41 C ATOM 0 H LEU A 75 -1.004 -34.770 -7.390 1.00 35.34 H new ATOM 0 HA LEU A 75 -2.019 -35.282 -10.069 1.00 23.12 H new ATOM 0 HB2 LEU A 75 -0.148 -33.710 -9.562 1.00 12.51 H new ATOM 0 HB3 LEU A 75 0.786 -35.042 -8.911 1.00 12.51 H new ATOM 0 HG LEU A 75 0.749 -36.131 -11.156 1.00 13.42 H new ATOM 0 HD11 LEU A 75 0.103 -34.805 -13.125 1.00 51.34 H new ATOM 0 HD12 LEU A 75 -1.283 -35.133 -12.057 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -0.518 -33.526 -12.054 1.00 51.34 H new ATOM 0 HD21 LEU A 75 2.375 -34.583 -12.195 1.00 72.41 H new ATOM 0 HD22 LEU A 75 1.865 -33.304 -11.068 1.00 72.41 H new ATOM 0 HD23 LEU A 75 2.661 -34.770 -10.448 1.00 72.41 H new ATOM 1172 N ALA A 76 -1.321 -37.662 -10.489 1.00 23.23 N ATOM 1173 CA ALA A 76 -1.160 -39.110 -10.651 1.00 45.32 C ATOM 1174 C ALA A 76 -0.520 -39.437 -11.999 1.00 65.42 C ATOM 1175 O ALA A 76 -0.620 -40.564 -12.489 1.00 13.14 O ATOM 1176 CB ALA A 76 -2.516 -39.802 -10.510 1.00 72.54 C ATOM 0 H ALA A 76 -1.669 -37.186 -11.321 1.00 23.23 H new ATOM 0 HA ALA A 76 -0.496 -39.479 -9.870 1.00 45.32 H new ATOM 0 HB1 ALA A 76 -2.390 -40.878 -10.631 1.00 72.54 H new ATOM 0 HB2 ALA A 76 -2.930 -39.594 -9.523 1.00 72.54 H new ATOM 0 HB3 ALA A 76 -3.197 -39.428 -11.275 1.00 72.54 H new ATOM 1182 N SER A 77 0.186 -38.454 -12.558 1.00 75.32 N ATOM 1183 CA SER A 77 0.739 -38.548 -13.907 1.00 12.25 C ATOM 1184 C SER A 77 -0.390 -38.724 -14.934 1.00 32.34 C ATOM 1185 O SER A 77 -0.908 -39.825 -15.127 1.00 31.55 O ATOM 1186 CB SER A 77 1.754 -39.704 -14.007 1.00 55.35 C ATOM 1187 OG SER A 77 2.364 -39.748 -15.285 1.00 45.41 O ATOM 0 H SER A 77 0.390 -37.572 -12.088 1.00 75.32 H new ATOM 0 HA SER A 77 1.267 -37.620 -14.127 1.00 12.25 H new ATOM 0 HB2 SER A 77 2.520 -39.585 -13.241 1.00 55.35 H new ATOM 0 HB3 SER A 77 1.250 -40.650 -13.810 1.00 55.35 H new ATOM 0 HG SER A 77 3.003 -40.490 -15.317 1.00 45.41 H new ATOM 1193 N GLY A 78 -0.785 -37.619 -15.569 1.00 44.34 N ATOM 1194 CA GLY A 78 -1.872 -37.650 -16.538 1.00 72.14 C ATOM 1195 C GLY A 78 -1.435 -38.215 -17.876 1.00 74.32 C ATOM 1196 O GLY A 78 -1.413 -37.503 -18.884 1.00 34.32 O ATOM 0 H GLY A 78 -0.369 -36.699 -15.428 1.00 44.34 H new ATOM 0 HA2 GLY A 78 -2.691 -38.251 -16.143 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -2.257 -36.640 -16.681 1.00 72.14 H new ATOM 1200 N GLN A 79 -1.069 -39.493 -17.879 1.00 65.34 N ATOM 1201 CA GLN A 79 -0.611 -40.179 -19.084 1.00 64.55 C ATOM 1202 C GLN A 79 -1.439 -41.438 -19.322 1.00 10.44 C ATOM 1203 O GLN A 79 -1.556 -42.288 -18.438 1.00 4.52 O ATOM 1204 CB GLN A 79 0.879 -40.539 -18.955 1.00 32.42 C ATOM 1205 CG GLN A 79 1.803 -39.329 -18.933 1.00 42.23 C ATOM 1206 CD GLN A 79 1.843 -38.599 -20.266 1.00 52.43 C ATOM 1207 OE1 GLN A 79 2.679 -38.888 -21.121 1.00 31.31 O ATOM 1208 NE2 GLN A 79 0.929 -37.660 -20.463 1.00 13.30 N ATOM 0 H GLN A 79 -1.081 -40.083 -17.047 1.00 65.34 H new ATOM 0 HA GLN A 79 -0.738 -39.512 -19.936 1.00 64.55 H new ATOM 0 HB2 GLN A 79 1.027 -41.114 -18.041 1.00 32.42 H new ATOM 0 HB3 GLN A 79 1.161 -41.185 -19.787 1.00 32.42 H new ATOM 0 HG2 GLN A 79 1.474 -38.640 -18.155 1.00 42.23 H new ATOM 0 HG3 GLN A 79 2.810 -39.651 -18.669 1.00 42.23 H new ATOM 0 HE21 GLN A 79 0.251 -37.447 -19.731 1.00 13.30 H new ATOM 0 HE22 GLN A 79 0.903 -37.151 -21.346 1.00 13.30 H new ATOM 1217 N GLY A 80 -2.019 -41.539 -20.511 1.00 4.32 N ATOM 1218 CA GLY A 80 -2.817 -42.694 -20.866 1.00 64.22 C ATOM 1219 C GLY A 80 -3.520 -42.496 -22.196 1.00 51.02 C ATOM 1220 O GLY A 80 -4.676 -42.031 -22.202 1.00 40.05 O ATOM 1221 OXT GLY A 80 -2.900 -42.767 -23.246 1.00 0.00 O ATOM 0 H GLY A 80 -1.949 -40.832 -21.243 1.00 4.32 H new ATOM 0 HA2 GLY A 80 -2.179 -43.576 -20.918 1.00 64.22 H new ATOM 0 HA3 GLY A 80 -3.556 -42.881 -20.087 1.00 64.22 H new TER 1225 GLY A 80