USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 19 GLN : amide:sc= -2.2! K(o=-4.8!,f=-1.7) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.6! C(o=-4.8!,f=-2.2!) USER MOD Set 2.1: A 18 SER OG : rot -77:sc= 1.92 USER MOD Set 2.2: A 71 THR OG1 : rot 73:sc= -0.949 USER MOD Set 2.3: A 74 ASN : amide:sc=-0.00886 K(o=0.96,f=-1.6!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.162 (180deg=-0.627) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0158 (180deg=-0.148) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -147:sc= 0.779 USER MOD Single : A 9 ASN : amide:sc= -0.0965 X(o=-0.096,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.345 K(o=-0.35,f=-1.7) USER MOD Single : A 20 SER OG : rot 70:sc= 1.16 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 35 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.073) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 179:sc= 0.456 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 43 SER OG : rot 87:sc= 0.682 USER MOD Single : A 46 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 48 MET CE :methyl -166:sc= -3.65! (180deg=-4.26!) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= -0.116 (180deg=-1.62!) USER MOD Single : A 51 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 52 THR OG1 : rot -69:sc= 0.305 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.195 K(o=0.19,f=-0.7) USER MOD Single : A 63 MET CE :methyl -179:sc= -0.631 (180deg=-0.674) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0.701 (180deg=0.548) USER MOD Single : A 76 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -123:sc= -0.109 (180deg=-1.01) USER MOD Single : A 83 GLN : amide:sc= -0.612 K(o=-0.61,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 90 SER OG : rot 91:sc= 0.274 USER MOD Single : A 91 SER OG : rot 180:sc= 0.051 USER MOD Single : A 95 GLN : amide:sc= -0.856 K(o=-0.86,f=-0.0076) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 99 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0731) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 104 ASN : amide:sc= 0.159 K(o=0.16,f=-4.5!) USER MOD Single : A 106 TYR OH : rot 150:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= -0.0466 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.975 2.199 21.716 1.00 10.21 N ATOM 2 CA MET A 1 2.280 1.884 20.300 1.00 52.21 C ATOM 3 C MET A 1 1.193 2.462 19.368 1.00 61.02 C ATOM 4 O MET A 1 0.928 1.905 18.300 1.00 72.33 O ATOM 5 CB MET A 1 2.424 0.341 20.113 1.00 51.13 C ATOM 6 CG MET A 1 1.162 -0.484 20.451 1.00 50.10 C ATOM 7 SD MET A 1 1.357 -2.248 20.110 1.00 43.43 S ATOM 8 CE MET A 1 1.651 -2.260 18.338 1.00 12.21 C ATOM 0 H1 MET A 1 2.605 1.652 22.337 1.00 10.21 H new ATOM 0 H2 MET A 1 2.120 3.215 21.885 1.00 10.21 H new ATOM 0 H3 MET A 1 0.986 1.952 21.921 1.00 10.21 H new ATOM 0 HA MET A 1 3.228 2.350 20.031 1.00 52.21 H new ATOM 0 HB2 MET A 1 2.703 0.141 19.078 1.00 51.13 H new ATOM 0 HB3 MET A 1 3.246 -0.009 20.738 1.00 51.13 H new ATOM 0 HG2 MET A 1 0.918 -0.348 21.505 1.00 50.10 H new ATOM 0 HG3 MET A 1 0.319 -0.100 19.876 1.00 50.10 H new ATOM 0 HE1 MET A 1 1.454 -3.257 17.943 1.00 12.21 H new ATOM 0 HE2 MET A 1 0.989 -1.541 17.855 1.00 12.21 H new ATOM 0 HE3 MET A 1 2.688 -1.989 18.139 1.00 12.21 H new ATOM 20 N THR A 2 0.612 3.616 19.760 1.00 11.14 N ATOM 21 CA THR A 2 -0.506 4.261 19.038 1.00 24.31 C ATOM 22 C THR A 2 -0.156 4.565 17.563 1.00 4.14 C ATOM 23 O THR A 2 -0.935 4.239 16.658 1.00 52.03 O ATOM 24 CB THR A 2 -0.943 5.580 19.762 1.00 12.44 C ATOM 25 OG1 THR A 2 0.198 6.433 19.942 1.00 71.10 O ATOM 26 CG2 THR A 2 -1.600 5.300 21.131 1.00 35.41 C ATOM 0 H THR A 2 0.907 4.129 20.591 1.00 11.14 H new ATOM 0 HA THR A 2 -1.334 3.552 19.042 1.00 24.31 H new ATOM 0 HB THR A 2 -1.685 6.071 19.132 1.00 12.44 H new ATOM 0 HG1 THR A 2 -0.078 7.258 20.393 1.00 71.10 H new ATOM 0 HG21 THR A 2 -1.887 6.243 21.597 1.00 35.41 H new ATOM 0 HG22 THR A 2 -2.486 4.681 20.990 1.00 35.41 H new ATOM 0 HG23 THR A 2 -0.892 4.778 21.775 1.00 35.41 H new ATOM 34 N SER A 3 1.043 5.143 17.340 1.00 44.35 N ATOM 35 CA SER A 3 1.527 5.508 15.997 1.00 10.33 C ATOM 36 C SER A 3 1.878 4.255 15.167 1.00 60.42 C ATOM 37 O SER A 3 1.846 4.300 13.939 1.00 1.05 O ATOM 38 CB SER A 3 2.751 6.448 16.117 1.00 43.14 C ATOM 39 OG SER A 3 2.449 7.589 16.908 1.00 53.30 O ATOM 0 H SER A 3 1.700 5.369 18.087 1.00 44.35 H new ATOM 0 HA SER A 3 0.727 6.032 15.474 1.00 10.33 H new ATOM 0 HB2 SER A 3 3.586 5.906 16.560 1.00 43.14 H new ATOM 0 HB3 SER A 3 3.068 6.765 15.123 1.00 43.14 H new ATOM 0 HG SER A 3 3.240 8.164 16.968 1.00 53.30 H new ATOM 45 N THR A 4 2.213 3.148 15.863 1.00 33.10 N ATOM 46 CA THR A 4 2.535 1.861 15.231 1.00 30.14 C ATOM 47 C THR A 4 1.258 1.160 14.735 1.00 53.20 C ATOM 48 O THR A 4 1.237 0.598 13.644 1.00 43.23 O ATOM 49 CB THR A 4 3.319 0.926 16.209 1.00 51.23 C ATOM 50 OG1 THR A 4 4.441 1.644 16.754 1.00 23.41 O ATOM 51 CG2 THR A 4 3.816 -0.349 15.500 1.00 3.34 C ATOM 0 H THR A 4 2.266 3.127 16.881 1.00 33.10 H new ATOM 0 HA THR A 4 3.175 2.069 14.374 1.00 30.14 H new ATOM 0 HB THR A 4 2.641 0.622 17.007 1.00 51.23 H new ATOM 0 HG1 THR A 4 5.182 1.022 16.912 1.00 23.41 H new ATOM 0 HG21 THR A 4 4.356 -0.974 16.211 1.00 3.34 H new ATOM 0 HG22 THR A 4 2.963 -0.902 15.106 1.00 3.34 H new ATOM 0 HG23 THR A 4 4.481 -0.074 14.681 1.00 3.34 H new ATOM 59 N VAL A 5 0.191 1.231 15.549 1.00 5.14 N ATOM 60 CA VAL A 5 -1.142 0.706 15.194 1.00 72.11 C ATOM 61 C VAL A 5 -1.741 1.550 14.052 1.00 13.32 C ATOM 62 O VAL A 5 -2.416 1.028 13.163 1.00 64.13 O ATOM 63 CB VAL A 5 -2.098 0.705 16.449 1.00 62.25 C ATOM 64 CG1 VAL A 5 -3.524 0.205 16.106 1.00 33.44 C ATOM 65 CG2 VAL A 5 -1.486 -0.141 17.585 1.00 60.22 C ATOM 0 H VAL A 5 0.227 1.656 16.476 1.00 5.14 H new ATOM 0 HA VAL A 5 -1.037 -0.325 14.857 1.00 72.11 H new ATOM 0 HB VAL A 5 -2.196 1.738 16.782 1.00 62.25 H new ATOM 0 HG11 VAL A 5 -4.142 0.224 17.004 1.00 33.44 H new ATOM 0 HG12 VAL A 5 -3.965 0.853 15.349 1.00 33.44 H new ATOM 0 HG13 VAL A 5 -3.470 -0.814 15.724 1.00 33.44 H new ATOM 0 HG21 VAL A 5 -2.155 -0.134 18.445 1.00 60.22 H new ATOM 0 HG22 VAL A 5 -1.348 -1.166 17.241 1.00 60.22 H new ATOM 0 HG23 VAL A 5 -0.522 0.278 17.872 1.00 60.22 H new ATOM 75 N GLU A 6 -1.440 2.859 14.083 1.00 44.41 N ATOM 76 CA GLU A 6 -1.847 3.826 13.050 1.00 24.45 C ATOM 77 C GLU A 6 -1.040 3.597 11.759 1.00 72.11 C ATOM 78 O GLU A 6 -1.564 3.796 10.668 1.00 13.02 O ATOM 79 CB GLU A 6 -1.681 5.268 13.614 1.00 42.23 C ATOM 80 CG GLU A 6 -2.098 6.447 12.685 1.00 12.34 C ATOM 81 CD GLU A 6 -0.995 6.922 11.713 1.00 54.20 C ATOM 82 OE1 GLU A 6 0.174 7.028 12.140 1.00 12.11 O ATOM 83 OE2 GLU A 6 -1.291 7.221 10.533 1.00 61.43 O ATOM 0 H GLU A 6 -0.899 3.281 14.838 1.00 44.41 H new ATOM 0 HA GLU A 6 -2.896 3.687 12.789 1.00 24.45 H new ATOM 0 HB2 GLU A 6 -2.262 5.340 14.533 1.00 42.23 H new ATOM 0 HB3 GLU A 6 -0.635 5.406 13.886 1.00 42.23 H new ATOM 0 HG2 GLU A 6 -2.969 6.144 12.105 1.00 12.34 H new ATOM 0 HG3 GLU A 6 -2.405 7.289 13.305 1.00 12.34 H new ATOM 90 N PHE A 7 0.224 3.150 11.905 1.00 64.50 N ATOM 91 CA PHE A 7 1.120 2.826 10.773 1.00 22.45 C ATOM 92 C PHE A 7 0.650 1.541 10.054 1.00 51.41 C ATOM 93 O PHE A 7 0.614 1.480 8.815 1.00 62.31 O ATOM 94 CB PHE A 7 2.574 2.679 11.298 1.00 15.44 C ATOM 95 CG PHE A 7 3.647 2.484 10.224 1.00 14.44 C ATOM 96 CD1 PHE A 7 3.957 3.516 9.340 1.00 34.14 C ATOM 97 CD2 PHE A 7 4.370 1.294 10.121 1.00 0.24 C ATOM 98 CE1 PHE A 7 4.932 3.363 8.375 1.00 40.43 C ATOM 99 CE2 PHE A 7 5.346 1.142 9.154 1.00 2.41 C ATOM 100 CZ PHE A 7 5.630 2.179 8.290 1.00 33.53 C ATOM 0 H PHE A 7 0.656 3.002 12.817 1.00 64.50 H new ATOM 0 HA PHE A 7 1.089 3.635 10.043 1.00 22.45 H new ATOM 0 HB2 PHE A 7 2.823 3.567 11.879 1.00 15.44 H new ATOM 0 HB3 PHE A 7 2.611 1.831 11.981 1.00 15.44 H new ATOM 0 HD1 PHE A 7 3.424 4.453 9.411 1.00 34.14 H new ATOM 0 HD2 PHE A 7 4.164 0.483 10.804 1.00 0.24 H new ATOM 0 HE1 PHE A 7 5.147 4.169 7.689 1.00 40.43 H new ATOM 0 HE2 PHE A 7 5.887 0.210 9.075 1.00 2.41 H new ATOM 0 HZ PHE A 7 6.402 2.062 7.544 1.00 33.53 H new ATOM 110 N ILE A 8 0.277 0.523 10.851 1.00 70.12 N ATOM 111 CA ILE A 8 -0.328 -0.714 10.339 1.00 75.14 C ATOM 112 C ILE A 8 -1.665 -0.377 9.653 1.00 54.30 C ATOM 113 O ILE A 8 -1.948 -0.910 8.602 1.00 4.24 O ATOM 114 CB ILE A 8 -0.548 -1.786 11.480 1.00 4.30 C ATOM 115 CG1 ILE A 8 0.811 -2.168 12.154 1.00 31.13 C ATOM 116 CG2 ILE A 8 -1.259 -3.055 10.938 1.00 4.31 C ATOM 117 CD1 ILE A 8 0.689 -3.078 13.372 1.00 14.31 C ATOM 0 H ILE A 8 0.387 0.537 11.865 1.00 70.12 H new ATOM 0 HA ILE A 8 0.359 -1.156 9.618 1.00 75.14 H new ATOM 0 HB ILE A 8 -1.195 -1.335 12.233 1.00 4.30 H new ATOM 0 HG12 ILE A 8 1.442 -2.659 11.413 1.00 31.13 H new ATOM 0 HG13 ILE A 8 1.322 -1.253 12.452 1.00 31.13 H new ATOM 0 HG21 ILE A 8 -1.394 -3.771 11.749 1.00 4.31 H new ATOM 0 HG22 ILE A 8 -2.232 -2.781 10.530 1.00 4.31 H new ATOM 0 HG23 ILE A 8 -0.651 -3.506 10.154 1.00 4.31 H new ATOM 0 HD11 ILE A 8 1.682 -3.288 13.770 1.00 14.31 H new ATOM 0 HD12 ILE A 8 0.088 -2.585 14.136 1.00 14.31 H new ATOM 0 HD13 ILE A 8 0.210 -4.013 13.081 1.00 14.31 H new ATOM 129 N ASN A 9 -2.429 0.566 10.250 1.00 22.03 N ATOM 130 CA ASN A 9 -3.701 1.081 9.689 1.00 30.44 C ATOM 131 C ASN A 9 -3.472 1.752 8.320 1.00 30.53 C ATOM 132 O ASN A 9 -4.301 1.610 7.412 1.00 22.00 O ATOM 133 CB ASN A 9 -4.360 2.080 10.683 1.00 23.20 C ATOM 134 CG ASN A 9 -5.632 2.776 10.170 1.00 73.21 C ATOM 135 OD1 ASN A 9 -5.879 3.944 10.478 1.00 0.42 O ATOM 136 ND2 ASN A 9 -6.463 2.073 9.413 1.00 51.34 N ATOM 0 H ASN A 9 -2.179 0.995 11.141 1.00 22.03 H new ATOM 0 HA ASN A 9 -4.375 0.237 9.540 1.00 30.44 H new ATOM 0 HB2 ASN A 9 -4.603 1.546 11.601 1.00 23.20 H new ATOM 0 HB3 ASN A 9 -3.628 2.844 10.943 1.00 23.20 H new ATOM 0 HD21 ASN A 9 -7.326 2.497 9.073 1.00 51.34 H new ATOM 0 HD22 ASN A 9 -6.239 1.108 9.170 1.00 51.34 H new ATOM 143 N ARG A 10 -2.332 2.472 8.194 1.00 72.20 N ATOM 144 CA ARG A 10 -1.899 3.083 6.923 1.00 54.12 C ATOM 145 C ARG A 10 -1.784 2.005 5.837 1.00 64.31 C ATOM 146 O ARG A 10 -2.383 2.111 4.761 1.00 72.32 O ATOM 147 CB ARG A 10 -0.514 3.772 7.061 1.00 63.23 C ATOM 148 CG ARG A 10 -0.420 4.958 8.028 1.00 24.54 C ATOM 149 CD ARG A 10 0.976 5.625 7.996 1.00 51.31 C ATOM 150 NE ARG A 10 1.312 6.308 9.256 1.00 71.50 N ATOM 151 CZ ARG A 10 2.519 6.817 9.555 1.00 30.12 C ATOM 152 NH1 ARG A 10 3.524 6.747 8.680 1.00 51.10 N ATOM 153 NH2 ARG A 10 2.727 7.355 10.750 1.00 64.24 N ATOM 0 H ARG A 10 -1.692 2.643 8.969 1.00 72.20 H new ATOM 0 HA ARG A 10 -2.646 3.830 6.654 1.00 54.12 H new ATOM 0 HB2 ARG A 10 0.209 3.020 7.377 1.00 63.23 H new ATOM 0 HB3 ARG A 10 -0.206 4.115 6.073 1.00 63.23 H new ATOM 0 HG2 ARG A 10 -1.180 5.696 7.771 1.00 24.54 H new ATOM 0 HG3 ARG A 10 -0.636 4.618 9.041 1.00 24.54 H new ATOM 0 HD2 ARG A 10 1.731 4.867 7.787 1.00 51.31 H new ATOM 0 HD3 ARG A 10 1.011 6.344 7.178 1.00 51.31 H new ATOM 0 HE ARG A 10 0.574 6.402 9.954 1.00 71.50 H new ATOM 0 HH11 ARG A 10 3.380 6.303 7.773 1.00 51.10 H new ATOM 0 HH12 ARG A 10 4.436 7.137 8.918 1.00 51.10 H new ATOM 0 HH21 ARG A 10 1.973 7.381 11.436 1.00 64.24 H new ATOM 0 HH22 ARG A 10 3.641 7.743 10.983 1.00 64.24 H new ATOM 167 N TRP A 11 -1.009 0.959 6.159 1.00 13.14 N ATOM 168 CA TRP A 11 -0.715 -0.127 5.212 1.00 13.01 C ATOM 169 C TRP A 11 -1.893 -1.094 5.019 1.00 33.14 C ATOM 170 O TRP A 11 -1.965 -1.749 3.983 1.00 64.14 O ATOM 171 CB TRP A 11 0.560 -0.871 5.638 1.00 71.03 C ATOM 172 CG TRP A 11 1.779 -0.001 5.501 1.00 73.03 C ATOM 173 CD1 TRP A 11 2.464 0.628 6.492 1.00 75.54 C ATOM 174 CD2 TRP A 11 2.405 0.395 4.270 1.00 3.31 C ATOM 175 NE1 TRP A 11 3.499 1.346 5.963 1.00 73.12 N ATOM 176 CE2 TRP A 11 3.489 1.218 4.608 1.00 50.51 C ATOM 177 CE3 TRP A 11 2.166 0.111 2.920 1.00 15.14 C ATOM 178 CZ2 TRP A 11 4.329 1.772 3.654 1.00 10.14 C ATOM 179 CZ3 TRP A 11 3.001 0.664 1.969 1.00 43.23 C ATOM 180 CH2 TRP A 11 4.076 1.483 2.347 1.00 52.04 C ATOM 0 H TRP A 11 -0.572 0.842 7.073 1.00 13.14 H new ATOM 0 HA TRP A 11 -0.547 0.332 4.238 1.00 13.01 H new ATOM 0 HB2 TRP A 11 0.462 -1.201 6.672 1.00 71.03 H new ATOM 0 HB3 TRP A 11 0.681 -1.766 5.028 1.00 71.03 H new ATOM 0 HD1 TRP A 11 2.225 0.569 7.544 1.00 75.54 H new ATOM 0 HE1 TRP A 11 4.173 1.892 6.499 1.00 73.12 H new ATOM 0 HE3 TRP A 11 1.345 -0.528 2.628 1.00 15.14 H new ATOM 0 HZ2 TRP A 11 5.154 2.409 3.937 1.00 10.14 H new ATOM 0 HZ3 TRP A 11 2.825 0.464 0.922 1.00 43.23 H new ATOM 0 HH2 TRP A 11 4.719 1.894 1.583 1.00 52.04 H new ATOM 191 N GLN A 12 -2.806 -1.165 6.005 1.00 33.42 N ATOM 192 CA GLN A 12 -4.085 -1.876 5.864 1.00 43.41 C ATOM 193 C GLN A 12 -4.890 -1.191 4.766 1.00 21.13 C ATOM 194 O GLN A 12 -5.382 -1.839 3.854 1.00 13.22 O ATOM 195 CB GLN A 12 -4.906 -1.876 7.193 1.00 75.53 C ATOM 196 CG GLN A 12 -4.396 -2.829 8.283 1.00 63.15 C ATOM 197 CD GLN A 12 -5.166 -2.692 9.596 1.00 30.24 C ATOM 198 OE1 GLN A 12 -4.797 -1.907 10.468 1.00 15.13 O ATOM 199 NE2 GLN A 12 -6.263 -3.419 9.744 1.00 62.21 N ATOM 0 H GLN A 12 -2.676 -0.731 6.919 1.00 33.42 H new ATOM 0 HA GLN A 12 -3.880 -2.916 5.612 1.00 43.41 H new ATOM 0 HB2 GLN A 12 -4.914 -0.863 7.595 1.00 75.53 H new ATOM 0 HB3 GLN A 12 -5.939 -2.136 6.962 1.00 75.53 H new ATOM 0 HG2 GLN A 12 -4.474 -3.856 7.927 1.00 63.15 H new ATOM 0 HG3 GLN A 12 -3.339 -2.634 8.465 1.00 63.15 H new ATOM 0 HE21 GLN A 12 -6.551 -4.064 9.008 1.00 62.21 H new ATOM 0 HE22 GLN A 12 -6.820 -3.334 10.594 1.00 62.21 H new ATOM 208 N ARG A 13 -4.931 0.150 4.853 1.00 73.25 N ATOM 209 CA ARG A 13 -5.720 0.987 3.956 1.00 22.21 C ATOM 210 C ARG A 13 -5.218 0.876 2.504 1.00 71.32 C ATOM 211 O ARG A 13 -6.022 0.646 1.608 1.00 13.02 O ATOM 212 CB ARG A 13 -5.707 2.465 4.426 1.00 72.04 C ATOM 213 CG ARG A 13 -6.799 3.331 3.759 1.00 44.14 C ATOM 214 CD ARG A 13 -8.233 2.891 4.163 1.00 65.25 C ATOM 215 NE ARG A 13 -9.283 3.524 3.345 1.00 64.54 N ATOM 216 CZ ARG A 13 -9.648 4.814 3.389 1.00 52.13 C ATOM 217 NH1 ARG A 13 -9.060 5.675 4.216 1.00 44.03 N ATOM 218 NH2 ARG A 13 -10.635 5.225 2.607 1.00 22.13 N ATOM 0 H ARG A 13 -4.412 0.679 5.554 1.00 73.25 H new ATOM 0 HA ARG A 13 -6.748 0.626 3.985 1.00 22.21 H new ATOM 0 HB2 ARG A 13 -5.840 2.496 5.507 1.00 72.04 H new ATOM 0 HB3 ARG A 13 -4.730 2.898 4.212 1.00 72.04 H new ATOM 0 HG2 ARG A 13 -6.651 4.375 4.036 1.00 44.14 H new ATOM 0 HG3 ARG A 13 -6.695 3.271 2.676 1.00 44.14 H new ATOM 0 HD2 ARG A 13 -8.314 1.808 4.072 1.00 65.25 H new ATOM 0 HD3 ARG A 13 -8.400 3.136 5.212 1.00 65.25 H new ATOM 0 HE ARG A 13 -9.778 2.925 2.684 1.00 64.54 H new ATOM 0 HH11 ARG A 13 -8.314 5.359 4.835 1.00 44.03 H new ATOM 0 HH12 ARG A 13 -9.356 6.651 4.231 1.00 44.03 H new ATOM 0 HH21 ARG A 13 -11.103 4.564 1.986 1.00 22.13 H new ATOM 0 HH22 ARG A 13 -10.927 6.202 2.626 1.00 22.13 H new ATOM 232 N ILE A 14 -3.886 1.002 2.291 1.00 35.21 N ATOM 233 CA ILE A 14 -3.284 0.914 0.936 1.00 53.04 C ATOM 234 C ILE A 14 -3.484 -0.499 0.353 1.00 24.23 C ATOM 235 O ILE A 14 -3.951 -0.641 -0.783 1.00 61.44 O ATOM 236 CB ILE A 14 -1.742 1.242 0.919 1.00 32.33 C ATOM 237 CG1 ILE A 14 -1.417 2.597 1.616 1.00 42.44 C ATOM 238 CG2 ILE A 14 -1.211 1.252 -0.536 1.00 40.44 C ATOM 239 CD1 ILE A 14 0.070 2.920 1.679 1.00 61.10 C ATOM 0 H ILE A 14 -3.209 1.164 3.036 1.00 35.21 H new ATOM 0 HA ILE A 14 -3.795 1.663 0.332 1.00 53.04 H new ATOM 0 HB ILE A 14 -1.241 0.457 1.485 1.00 32.33 H new ATOM 0 HG12 ILE A 14 -1.930 3.399 1.086 1.00 42.44 H new ATOM 0 HG13 ILE A 14 -1.817 2.578 2.630 1.00 42.44 H new ATOM 0 HG21 ILE A 14 -0.145 1.480 -0.533 1.00 40.44 H new ATOM 0 HG22 ILE A 14 -1.372 0.274 -0.989 1.00 40.44 H new ATOM 0 HG23 ILE A 14 -1.742 2.010 -1.112 1.00 40.44 H new ATOM 0 HD11 ILE A 14 0.213 3.878 2.178 1.00 61.10 H new ATOM 0 HD12 ILE A 14 0.589 2.140 2.236 1.00 61.10 H new ATOM 0 HD13 ILE A 14 0.474 2.974 0.668 1.00 61.10 H new ATOM 251 N ALA A 15 -3.147 -1.532 1.171 1.00 55.41 N ATOM 252 CA ALA A 15 -3.250 -2.954 0.776 1.00 74.30 C ATOM 253 C ALA A 15 -4.665 -3.292 0.286 1.00 61.31 C ATOM 254 O ALA A 15 -4.838 -3.891 -0.776 1.00 55.30 O ATOM 255 CB ALA A 15 -2.858 -3.871 1.951 1.00 51.40 C ATOM 0 H ALA A 15 -2.798 -1.398 2.120 1.00 55.41 H new ATOM 0 HA ALA A 15 -2.557 -3.123 -0.048 1.00 74.30 H new ATOM 0 HB1 ALA A 15 -2.940 -4.913 1.642 1.00 51.40 H new ATOM 0 HB2 ALA A 15 -1.831 -3.661 2.250 1.00 51.40 H new ATOM 0 HB3 ALA A 15 -3.526 -3.689 2.793 1.00 51.40 H new ATOM 261 N LEU A 16 -5.657 -2.821 1.053 1.00 44.22 N ATOM 262 CA LEU A 16 -7.083 -3.132 0.832 1.00 45.01 C ATOM 263 C LEU A 16 -7.690 -2.293 -0.310 1.00 25.01 C ATOM 264 O LEU A 16 -8.520 -2.803 -1.051 1.00 15.40 O ATOM 265 CB LEU A 16 -7.900 -2.940 2.142 1.00 23.40 C ATOM 266 CG LEU A 16 -7.618 -3.968 3.289 1.00 5.33 C ATOM 267 CD1 LEU A 16 -8.438 -3.626 4.557 1.00 34.23 C ATOM 268 CD2 LEU A 16 -7.879 -5.412 2.809 1.00 55.34 C ATOM 0 H LEU A 16 -5.495 -2.208 1.852 1.00 44.22 H new ATOM 0 HA LEU A 16 -7.139 -4.179 0.533 1.00 45.01 H new ATOM 0 HB2 LEU A 16 -7.704 -1.938 2.524 1.00 23.40 H new ATOM 0 HB3 LEU A 16 -8.961 -2.985 1.894 1.00 23.40 H new ATOM 0 HG LEU A 16 -6.564 -3.899 3.558 1.00 5.33 H new ATOM 0 HD11 LEU A 16 -8.223 -4.356 5.337 1.00 34.23 H new ATOM 0 HD12 LEU A 16 -8.168 -2.630 4.907 1.00 34.23 H new ATOM 0 HD13 LEU A 16 -9.502 -3.651 4.320 1.00 34.23 H new ATOM 0 HD21 LEU A 16 -7.676 -6.108 3.623 1.00 55.34 H new ATOM 0 HD22 LEU A 16 -8.919 -5.510 2.498 1.00 55.34 H new ATOM 0 HD23 LEU A 16 -7.226 -5.639 1.966 1.00 55.34 H new ATOM 280 N LEU A 17 -7.277 -1.016 -0.448 1.00 43.11 N ATOM 281 CA LEU A 17 -7.793 -0.120 -1.516 1.00 4.52 C ATOM 282 C LEU A 17 -7.324 -0.607 -2.897 1.00 13.43 C ATOM 283 O LEU A 17 -8.128 -0.706 -3.823 1.00 4.33 O ATOM 284 CB LEU A 17 -7.394 1.371 -1.274 1.00 64.04 C ATOM 285 CG LEU A 17 -8.157 2.111 -0.126 1.00 53.34 C ATOM 286 CD1 LEU A 17 -7.608 3.539 0.084 1.00 34.20 C ATOM 287 CD2 LEU A 17 -9.679 2.132 -0.394 1.00 3.55 C ATOM 0 H LEU A 17 -6.588 -0.578 0.164 1.00 43.11 H new ATOM 0 HA LEU A 17 -8.882 -0.162 -1.486 1.00 4.52 H new ATOM 0 HB2 LEU A 17 -6.327 1.409 -1.057 1.00 64.04 H new ATOM 0 HB3 LEU A 17 -7.551 1.923 -2.201 1.00 64.04 H new ATOM 0 HG LEU A 17 -7.988 1.555 0.796 1.00 53.34 H new ATOM 0 HD11 LEU A 17 -8.159 4.026 0.888 1.00 34.20 H new ATOM 0 HD12 LEU A 17 -6.552 3.488 0.347 1.00 34.20 H new ATOM 0 HD13 LEU A 17 -7.725 4.113 -0.835 1.00 34.20 H new ATOM 0 HD21 LEU A 17 -10.185 2.652 0.419 1.00 3.55 H new ATOM 0 HD22 LEU A 17 -9.876 2.649 -1.333 1.00 3.55 H new ATOM 0 HD23 LEU A 17 -10.051 1.110 -0.458 1.00 3.55 H new ATOM 299 N SER A 18 -6.025 -0.956 -3.001 1.00 25.43 N ATOM 300 CA SER A 18 -5.432 -1.508 -4.236 1.00 71.13 C ATOM 301 C SER A 18 -6.000 -2.907 -4.537 1.00 70.34 C ATOM 302 O SER A 18 -6.195 -3.260 -5.706 1.00 12.42 O ATOM 303 CB SER A 18 -3.906 -1.592 -4.105 1.00 44.32 C ATOM 304 OG SER A 18 -3.541 -2.409 -3.004 1.00 11.42 O ATOM 0 H SER A 18 -5.360 -0.863 -2.233 1.00 25.43 H new ATOM 0 HA SER A 18 -5.686 -0.840 -5.059 1.00 71.13 H new ATOM 0 HB2 SER A 18 -3.479 -1.998 -5.022 1.00 44.32 H new ATOM 0 HB3 SER A 18 -3.492 -0.592 -3.975 1.00 44.32 H new ATOM 0 HG SER A 18 -3.657 -1.906 -2.171 1.00 11.42 H new ATOM 310 N GLN A 19 -6.231 -3.702 -3.462 1.00 70.32 N ATOM 311 CA GLN A 19 -6.863 -5.031 -3.560 1.00 33.24 C ATOM 312 C GLN A 19 -8.280 -4.914 -4.136 1.00 65.14 C ATOM 313 O GLN A 19 -8.673 -5.705 -4.991 1.00 41.44 O ATOM 314 CB GLN A 19 -6.918 -5.720 -2.172 1.00 31.04 C ATOM 315 CG GLN A 19 -7.336 -7.200 -2.206 1.00 0.00 C ATOM 316 CD GLN A 19 -6.388 -8.062 -3.042 1.00 70.31 C ATOM 317 OE1 GLN A 19 -6.608 -8.281 -4.233 1.00 42.10 O ATOM 318 NE2 GLN A 19 -5.306 -8.518 -2.432 1.00 13.31 N ATOM 0 H GLN A 19 -5.983 -3.436 -2.509 1.00 70.32 H new ATOM 0 HA GLN A 19 -6.256 -5.640 -4.230 1.00 33.24 H new ATOM 0 HB2 GLN A 19 -5.936 -5.644 -1.705 1.00 31.04 H new ATOM 0 HB3 GLN A 19 -7.616 -5.174 -1.538 1.00 31.04 H new ATOM 0 HG2 GLN A 19 -7.370 -7.587 -1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.345 -7.279 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.155 -8.318 -1.443 1.00 13.31 H new ATOM 0 HE22 GLN A 19 -4.623 -9.070 -2.950 1.00 13.31 H new ATOM 327 N SER A 20 -9.015 -3.891 -3.660 1.00 73.42 N ATOM 328 CA SER A 20 -10.357 -3.577 -4.148 1.00 64.35 C ATOM 329 C SER A 20 -10.300 -3.257 -5.641 1.00 51.42 C ATOM 330 O SER A 20 -11.029 -3.851 -6.419 1.00 5.20 O ATOM 331 CB SER A 20 -10.965 -2.387 -3.377 1.00 54.34 C ATOM 332 OG SER A 20 -11.127 -2.692 -2.004 1.00 5.32 O ATOM 0 H SER A 20 -8.688 -3.263 -2.926 1.00 73.42 H new ATOM 0 HA SER A 20 -10.994 -4.446 -3.985 1.00 64.35 H new ATOM 0 HB2 SER A 20 -10.321 -1.514 -3.484 1.00 54.34 H new ATOM 0 HB3 SER A 20 -11.931 -2.126 -3.810 1.00 54.34 H new ATOM 0 HG SER A 20 -10.247 -2.754 -1.577 1.00 5.32 H new ATOM 338 N LEU A 21 -9.360 -2.361 -6.019 1.00 42.24 N ATOM 339 CA LEU A 21 -9.184 -1.923 -7.412 1.00 0.13 C ATOM 340 C LEU A 21 -8.815 -3.117 -8.324 1.00 5.45 C ATOM 341 O LEU A 21 -9.226 -3.153 -9.481 1.00 5.34 O ATOM 342 CB LEU A 21 -8.103 -0.800 -7.549 1.00 21.54 C ATOM 343 CG LEU A 21 -8.296 0.519 -6.732 1.00 60.33 C ATOM 344 CD1 LEU A 21 -7.303 1.610 -7.206 1.00 44.15 C ATOM 345 CD2 LEU A 21 -9.754 1.018 -6.770 1.00 4.15 C ATOM 0 H LEU A 21 -8.708 -1.926 -5.366 1.00 42.24 H new ATOM 0 HA LEU A 21 -10.140 -1.508 -7.731 1.00 0.13 H new ATOM 0 HB2 LEU A 21 -7.141 -1.228 -7.266 1.00 21.54 H new ATOM 0 HB3 LEU A 21 -8.035 -0.531 -8.603 1.00 21.54 H new ATOM 0 HG LEU A 21 -8.074 0.294 -5.689 1.00 60.33 H new ATOM 0 HD11 LEU A 21 -7.456 2.519 -6.624 1.00 44.15 H new ATOM 0 HD12 LEU A 21 -6.281 1.257 -7.067 1.00 44.15 H new ATOM 0 HD13 LEU A 21 -7.473 1.823 -8.261 1.00 44.15 H new ATOM 0 HD21 LEU A 21 -9.840 1.936 -6.189 1.00 4.15 H new ATOM 0 HD22 LEU A 21 -10.045 1.213 -7.802 1.00 4.15 H new ATOM 0 HD23 LEU A 21 -10.410 0.258 -6.346 1.00 4.15 H new ATOM 357 N LEU A 22 -8.060 -4.100 -7.771 1.00 13.54 N ATOM 358 CA LEU A 22 -7.630 -5.309 -8.512 1.00 41.41 C ATOM 359 C LEU A 22 -8.839 -6.198 -8.850 1.00 43.13 C ATOM 360 O LEU A 22 -9.070 -6.533 -10.023 1.00 73.41 O ATOM 361 CB LEU A 22 -6.570 -6.117 -7.712 1.00 5.21 C ATOM 362 CG LEU A 22 -6.025 -7.408 -8.418 1.00 63.53 C ATOM 363 CD1 LEU A 22 -5.352 -7.076 -9.768 1.00 52.55 C ATOM 364 CD2 LEU A 22 -5.070 -8.193 -7.498 1.00 23.25 C ATOM 0 H LEU A 22 -7.735 -4.076 -6.805 1.00 13.54 H new ATOM 0 HA LEU A 22 -7.168 -4.979 -9.443 1.00 41.41 H new ATOM 0 HB2 LEU A 22 -5.727 -5.461 -7.495 1.00 5.21 H new ATOM 0 HB3 LEU A 22 -7.005 -6.405 -6.755 1.00 5.21 H new ATOM 0 HG LEU A 22 -6.882 -8.048 -8.627 1.00 63.53 H new ATOM 0 HD11 LEU A 22 -4.987 -7.994 -10.228 1.00 52.55 H new ATOM 0 HD12 LEU A 22 -6.077 -6.602 -10.429 1.00 52.55 H new ATOM 0 HD13 LEU A 22 -4.516 -6.397 -9.601 1.00 52.55 H new ATOM 0 HD21 LEU A 22 -4.711 -9.081 -8.019 1.00 23.25 H new ATOM 0 HD22 LEU A 22 -4.222 -7.562 -7.230 1.00 23.25 H new ATOM 0 HD23 LEU A 22 -5.600 -8.492 -6.594 1.00 23.25 H new ATOM 376 N GLU A 23 -9.607 -6.541 -7.797 1.00 63.04 N ATOM 377 CA GLU A 23 -10.825 -7.366 -7.890 1.00 43.04 C ATOM 378 C GLU A 23 -11.831 -6.741 -8.864 1.00 41.34 C ATOM 379 O GLU A 23 -12.295 -7.396 -9.795 1.00 72.13 O ATOM 380 CB GLU A 23 -11.453 -7.512 -6.481 1.00 53.33 C ATOM 381 CG GLU A 23 -10.567 -8.273 -5.473 1.00 13.12 C ATOM 382 CD GLU A 23 -11.172 -8.293 -4.065 1.00 43.43 C ATOM 383 OE1 GLU A 23 -10.671 -7.581 -3.167 1.00 42.53 O ATOM 384 OE2 GLU A 23 -12.187 -8.996 -3.859 1.00 51.11 O ATOM 0 H GLU A 23 -9.394 -6.247 -6.844 1.00 63.04 H new ATOM 0 HA GLU A 23 -10.560 -8.352 -8.271 1.00 43.04 H new ATOM 0 HB2 GLU A 23 -11.665 -6.519 -6.085 1.00 53.33 H new ATOM 0 HB3 GLU A 23 -12.408 -8.030 -6.572 1.00 53.33 H new ATOM 0 HG2 GLU A 23 -10.424 -9.297 -5.819 1.00 13.12 H new ATOM 0 HG3 GLU A 23 -9.582 -7.809 -5.436 1.00 13.12 H new ATOM 391 N LEU A 24 -12.080 -5.436 -8.663 1.00 41.43 N ATOM 392 CA LEU A 24 -13.067 -4.658 -9.423 1.00 55.42 C ATOM 393 C LEU A 24 -12.640 -4.501 -10.892 1.00 75.31 C ATOM 394 O LEU A 24 -13.482 -4.507 -11.771 1.00 42.13 O ATOM 395 CB LEU A 24 -13.296 -3.269 -8.753 1.00 52.30 C ATOM 396 CG LEU A 24 -13.869 -3.307 -7.299 1.00 53.33 C ATOM 397 CD1 LEU A 24 -13.901 -1.900 -6.661 1.00 40.51 C ATOM 398 CD2 LEU A 24 -15.246 -3.987 -7.264 1.00 13.34 C ATOM 0 H LEU A 24 -11.592 -4.885 -7.956 1.00 41.43 H new ATOM 0 HA LEU A 24 -14.011 -5.203 -9.414 1.00 55.42 H new ATOM 0 HB2 LEU A 24 -12.347 -2.733 -8.737 1.00 52.30 H new ATOM 0 HB3 LEU A 24 -13.978 -2.692 -9.378 1.00 52.30 H new ATOM 0 HG LEU A 24 -13.194 -3.911 -6.693 1.00 53.33 H new ATOM 0 HD11 LEU A 24 -14.305 -1.968 -5.651 1.00 40.51 H new ATOM 0 HD12 LEU A 24 -12.890 -1.496 -6.621 1.00 40.51 H new ATOM 0 HD13 LEU A 24 -14.531 -1.243 -7.261 1.00 40.51 H new ATOM 0 HD21 LEU A 24 -15.620 -3.999 -6.240 1.00 13.34 H new ATOM 0 HD22 LEU A 24 -15.940 -3.435 -7.897 1.00 13.34 H new ATOM 0 HD23 LEU A 24 -15.156 -5.010 -7.629 1.00 13.34 H new ATOM 410 N ALA A 25 -11.324 -4.404 -11.144 1.00 74.02 N ATOM 411 CA ALA A 25 -10.773 -4.299 -12.517 1.00 74.42 C ATOM 412 C ALA A 25 -10.981 -5.593 -13.308 1.00 71.35 C ATOM 413 O ALA A 25 -11.336 -5.560 -14.491 1.00 40.15 O ATOM 414 CB ALA A 25 -9.289 -3.969 -12.467 1.00 22.31 C ATOM 0 H ALA A 25 -10.613 -4.396 -10.413 1.00 74.02 H new ATOM 0 HA ALA A 25 -11.310 -3.497 -13.024 1.00 74.42 H new ATOM 0 HB1 ALA A 25 -8.898 -3.895 -13.482 1.00 22.31 H new ATOM 0 HB2 ALA A 25 -9.145 -3.019 -11.953 1.00 22.31 H new ATOM 0 HB3 ALA A 25 -8.759 -4.756 -11.931 1.00 22.31 H new ATOM 420 N GLN A 26 -10.741 -6.729 -12.633 1.00 14.40 N ATOM 421 CA GLN A 26 -10.957 -8.069 -13.211 1.00 44.12 C ATOM 422 C GLN A 26 -12.464 -8.371 -13.365 1.00 73.30 C ATOM 423 O GLN A 26 -12.858 -9.198 -14.193 1.00 0.12 O ATOM 424 CB GLN A 26 -10.249 -9.140 -12.346 1.00 1.32 C ATOM 425 CG GLN A 26 -8.713 -8.958 -12.279 1.00 24.41 C ATOM 426 CD GLN A 26 -7.991 -9.989 -11.401 1.00 14.31 C ATOM 427 OE1 GLN A 26 -8.537 -10.489 -10.419 1.00 5.53 O ATOM 428 NE2 GLN A 26 -6.760 -10.319 -11.755 1.00 14.55 N ATOM 0 H GLN A 26 -10.393 -6.747 -11.674 1.00 14.40 H new ATOM 0 HA GLN A 26 -10.521 -8.094 -14.210 1.00 44.12 H new ATOM 0 HB2 GLN A 26 -10.656 -9.107 -11.335 1.00 1.32 H new ATOM 0 HB3 GLN A 26 -10.473 -10.128 -12.748 1.00 1.32 H new ATOM 0 HG2 GLN A 26 -8.308 -9.012 -13.290 1.00 24.41 H new ATOM 0 HG3 GLN A 26 -8.494 -7.959 -11.901 1.00 24.41 H new ATOM 0 HE21 GLN A 26 -6.332 -9.888 -12.575 1.00 14.55 H new ATOM 0 HE22 GLN A 26 -6.239 -11.004 -11.208 1.00 14.55 H new ATOM 437 N ARG A 27 -13.296 -7.690 -12.556 1.00 73.13 N ATOM 438 CA ARG A 27 -14.768 -7.703 -12.699 1.00 63.42 C ATOM 439 C ARG A 27 -15.212 -6.760 -13.843 1.00 10.11 C ATOM 440 O ARG A 27 -16.315 -6.905 -14.376 1.00 45.23 O ATOM 441 CB ARG A 27 -15.444 -7.290 -11.361 1.00 33.11 C ATOM 442 CG ARG A 27 -15.242 -8.292 -10.204 1.00 14.54 C ATOM 443 CD ARG A 27 -15.834 -7.794 -8.872 1.00 3.32 C ATOM 444 NE ARG A 27 -15.580 -8.735 -7.768 1.00 43.34 N ATOM 445 CZ ARG A 27 -16.354 -8.893 -6.684 1.00 41.10 C ATOM 446 NH1 ARG A 27 -17.469 -8.180 -6.515 1.00 33.01 N ATOM 447 NH2 ARG A 27 -16.000 -9.780 -5.773 1.00 42.50 N ATOM 0 H ARG A 27 -12.968 -7.113 -11.782 1.00 73.13 H new ATOM 0 HA ARG A 27 -15.082 -8.716 -12.949 1.00 63.42 H new ATOM 0 HB2 ARG A 27 -15.053 -6.319 -11.056 1.00 33.11 H new ATOM 0 HB3 ARG A 27 -16.513 -7.164 -11.533 1.00 33.11 H new ATOM 0 HG2 ARG A 27 -15.704 -9.243 -10.468 1.00 14.54 H new ATOM 0 HG3 ARG A 27 -14.176 -8.480 -10.075 1.00 14.54 H new ATOM 0 HD2 ARG A 27 -15.405 -6.822 -8.626 1.00 3.32 H new ATOM 0 HD3 ARG A 27 -16.908 -7.649 -8.985 1.00 3.32 H new ATOM 0 HE ARG A 27 -14.744 -9.316 -7.833 1.00 43.34 H new ATOM 0 HH11 ARG A 27 -17.749 -7.497 -7.219 1.00 33.01 H new ATOM 0 HH12 ARG A 27 -18.041 -8.318 -5.682 1.00 33.01 H new ATOM 0 HH21 ARG A 27 -15.151 -10.331 -5.900 1.00 42.50 H new ATOM 0 HH22 ARG A 27 -16.575 -9.915 -4.942 1.00 42.50 H new ATOM 461 N GLY A 28 -14.341 -5.796 -14.202 1.00 14.31 N ATOM 462 CA GLY A 28 -14.612 -4.830 -15.278 1.00 43.00 C ATOM 463 C GLY A 28 -15.264 -3.548 -14.786 1.00 71.34 C ATOM 464 O GLY A 28 -15.719 -2.734 -15.590 1.00 72.34 O ATOM 0 H GLY A 28 -13.434 -5.668 -13.754 1.00 14.31 H new ATOM 0 HA2 GLY A 28 -13.676 -4.584 -15.780 1.00 43.00 H new ATOM 0 HA3 GLY A 28 -15.259 -5.296 -16.021 1.00 43.00 H new ATOM 468 N GLU A 29 -15.319 -3.385 -13.464 1.00 13.31 N ATOM 469 CA GLU A 29 -15.865 -2.198 -12.791 1.00 43.42 C ATOM 470 C GLU A 29 -14.806 -1.073 -12.723 1.00 13.11 C ATOM 471 O GLU A 29 -14.424 -0.623 -11.630 1.00 44.52 O ATOM 472 CB GLU A 29 -16.332 -2.590 -11.361 1.00 31.43 C ATOM 473 CG GLU A 29 -17.225 -3.841 -11.265 1.00 30.22 C ATOM 474 CD GLU A 29 -18.518 -3.734 -12.089 1.00 61.12 C ATOM 475 OE1 GLU A 29 -18.627 -4.382 -13.150 1.00 51.03 O ATOM 476 OE2 GLU A 29 -19.428 -2.983 -11.677 1.00 72.32 O ATOM 0 H GLU A 29 -14.977 -4.091 -12.812 1.00 13.31 H new ATOM 0 HA GLU A 29 -16.716 -1.824 -13.360 1.00 43.42 H new ATOM 0 HB2 GLU A 29 -15.449 -2.749 -10.742 1.00 31.43 H new ATOM 0 HB3 GLU A 29 -16.874 -1.747 -10.933 1.00 31.43 H new ATOM 0 HG2 GLU A 29 -16.659 -4.709 -11.603 1.00 30.22 H new ATOM 0 HG3 GLU A 29 -17.482 -4.015 -10.220 1.00 30.22 H new ATOM 483 N TRP A 30 -14.359 -0.613 -13.906 1.00 30.11 N ATOM 484 CA TRP A 30 -13.296 0.413 -14.046 1.00 30.53 C ATOM 485 C TRP A 30 -13.744 1.756 -13.446 1.00 43.44 C ATOM 486 O TRP A 30 -12.922 2.535 -12.963 1.00 53.22 O ATOM 487 CB TRP A 30 -12.903 0.608 -15.535 1.00 64.15 C ATOM 488 CG TRP A 30 -12.581 -0.683 -16.266 1.00 63.01 C ATOM 489 CD1 TRP A 30 -13.384 -1.352 -17.153 1.00 35.41 C ATOM 490 CD2 TRP A 30 -11.373 -1.460 -16.159 1.00 22.43 C ATOM 491 NE1 TRP A 30 -12.768 -2.501 -17.575 1.00 1.22 N ATOM 492 CE2 TRP A 30 -11.534 -2.589 -16.987 1.00 33.32 C ATOM 493 CE3 TRP A 30 -10.173 -1.314 -15.443 1.00 74.21 C ATOM 494 CZ2 TRP A 30 -10.549 -3.561 -17.120 1.00 34.42 C ATOM 495 CZ3 TRP A 30 -9.198 -2.285 -15.576 1.00 4.12 C ATOM 496 CH2 TRP A 30 -9.395 -3.398 -16.404 1.00 71.10 C ATOM 0 H TRP A 30 -14.724 -0.941 -14.800 1.00 30.11 H new ATOM 0 HA TRP A 30 -12.424 0.057 -13.497 1.00 30.53 H new ATOM 0 HB2 TRP A 30 -13.720 1.112 -16.052 1.00 64.15 H new ATOM 0 HB3 TRP A 30 -12.037 1.268 -15.588 1.00 64.15 H new ATOM 0 HD1 TRP A 30 -14.361 -1.021 -17.473 1.00 35.41 H new ATOM 0 HE1 TRP A 30 -13.165 -3.182 -18.223 1.00 1.22 H new ATOM 0 HE3 TRP A 30 -10.015 -0.460 -14.801 1.00 74.21 H new ATOM 0 HZ2 TRP A 30 -10.690 -4.415 -17.766 1.00 34.42 H new ATOM 0 HZ3 TRP A 30 -8.270 -2.184 -15.033 1.00 4.12 H new ATOM 0 HH2 TRP A 30 -8.618 -4.144 -16.479 1.00 71.10 H new ATOM 507 N ASP A 31 -15.064 1.991 -13.491 1.00 23.12 N ATOM 508 CA ASP A 31 -15.716 3.166 -12.896 1.00 35.11 C ATOM 509 C ASP A 31 -15.381 3.260 -11.395 1.00 64.31 C ATOM 510 O ASP A 31 -14.964 4.314 -10.900 1.00 61.30 O ATOM 511 CB ASP A 31 -17.256 3.065 -13.079 1.00 61.31 C ATOM 512 CG ASP A 31 -17.691 2.843 -14.541 1.00 31.34 C ATOM 513 OD1 ASP A 31 -18.120 3.811 -15.214 1.00 12.51 O ATOM 514 OD2 ASP A 31 -17.590 1.690 -15.030 1.00 55.42 O ATOM 0 H ASP A 31 -15.719 1.358 -13.950 1.00 23.12 H new ATOM 0 HA ASP A 31 -15.349 4.061 -13.399 1.00 35.11 H new ATOM 0 HB2 ASP A 31 -17.633 2.245 -12.468 1.00 61.31 H new ATOM 0 HB3 ASP A 31 -17.718 3.979 -12.706 1.00 61.31 H new ATOM 519 N LEU A 32 -15.520 2.108 -10.702 1.00 23.12 N ATOM 520 CA LEU A 32 -15.268 2.001 -9.254 1.00 12.10 C ATOM 521 C LEU A 32 -13.788 2.267 -8.933 1.00 63.34 C ATOM 522 O LEU A 32 -13.481 2.811 -7.876 1.00 72.00 O ATOM 523 CB LEU A 32 -15.707 0.617 -8.704 1.00 51.13 C ATOM 524 CG LEU A 32 -17.190 0.207 -8.968 1.00 13.44 C ATOM 525 CD1 LEU A 32 -17.547 -1.077 -8.196 1.00 32.23 C ATOM 526 CD2 LEU A 32 -18.179 1.352 -8.650 1.00 45.02 C ATOM 0 H LEU A 32 -15.810 1.230 -11.133 1.00 23.12 H new ATOM 0 HA LEU A 32 -15.869 2.764 -8.759 1.00 12.10 H new ATOM 0 HB2 LEU A 32 -15.059 -0.145 -9.138 1.00 51.13 H new ATOM 0 HB3 LEU A 32 -15.535 0.606 -7.628 1.00 51.13 H new ATOM 0 HG LEU A 32 -17.285 0.001 -10.034 1.00 13.44 H new ATOM 0 HD11 LEU A 32 -18.585 -1.344 -8.395 1.00 32.23 H new ATOM 0 HD12 LEU A 32 -16.895 -1.889 -8.519 1.00 32.23 H new ATOM 0 HD13 LEU A 32 -17.414 -0.908 -7.127 1.00 32.23 H new ATOM 0 HD21 LEU A 32 -19.198 1.019 -8.849 1.00 45.02 H new ATOM 0 HD22 LEU A 32 -18.087 1.631 -7.600 1.00 45.02 H new ATOM 0 HD23 LEU A 32 -17.950 2.215 -9.276 1.00 45.02 H new ATOM 538 N LEU A 33 -12.886 1.914 -9.880 1.00 71.24 N ATOM 539 CA LEU A 33 -11.458 2.277 -9.782 1.00 24.43 C ATOM 540 C LEU A 33 -11.309 3.802 -9.796 1.00 10.20 C ATOM 541 O LEU A 33 -10.662 4.351 -8.922 1.00 44.14 O ATOM 542 CB LEU A 33 -10.578 1.640 -10.909 1.00 32.30 C ATOM 543 CG LEU A 33 -10.154 0.150 -10.707 1.00 33.20 C ATOM 544 CD1 LEU A 33 -11.356 -0.805 -10.733 1.00 22.35 C ATOM 545 CD2 LEU A 33 -9.074 -0.261 -11.733 1.00 71.33 C ATOM 0 H LEU A 33 -13.124 1.380 -10.716 1.00 71.24 H new ATOM 0 HA LEU A 33 -11.093 1.871 -8.839 1.00 24.43 H new ATOM 0 HB2 LEU A 33 -11.123 1.715 -11.850 1.00 32.30 H new ATOM 0 HB3 LEU A 33 -9.674 2.240 -11.016 1.00 32.30 H new ATOM 0 HG LEU A 33 -9.717 0.069 -9.712 1.00 33.20 H new ATOM 0 HD11 LEU A 33 -11.011 -1.829 -10.589 1.00 22.35 H new ATOM 0 HD12 LEU A 33 -12.049 -0.540 -9.934 1.00 22.35 H new ATOM 0 HD13 LEU A 33 -11.863 -0.726 -11.695 1.00 22.35 H new ATOM 0 HD21 LEU A 33 -8.796 -1.302 -11.571 1.00 71.33 H new ATOM 0 HD22 LEU A 33 -9.468 -0.143 -12.743 1.00 71.33 H new ATOM 0 HD23 LEU A 33 -8.195 0.372 -11.610 1.00 71.33 H new ATOM 557 N LEU A 34 -11.970 4.462 -10.768 1.00 64.33 N ATOM 558 CA LEU A 34 -11.886 5.931 -10.962 1.00 54.45 C ATOM 559 C LEU A 34 -12.326 6.722 -9.697 1.00 20.41 C ATOM 560 O LEU A 34 -11.694 7.722 -9.335 1.00 65.31 O ATOM 561 CB LEU A 34 -12.743 6.360 -12.186 1.00 33.32 C ATOM 562 CG LEU A 34 -12.392 5.679 -13.547 1.00 21.44 C ATOM 563 CD1 LEU A 34 -13.318 6.171 -14.677 1.00 21.11 C ATOM 564 CD2 LEU A 34 -10.905 5.868 -13.910 1.00 32.23 C ATOM 0 H LEU A 34 -12.577 3.996 -11.442 1.00 64.33 H new ATOM 0 HA LEU A 34 -10.839 6.172 -11.146 1.00 54.45 H new ATOM 0 HB2 LEU A 34 -13.789 6.155 -11.960 1.00 33.32 H new ATOM 0 HB3 LEU A 34 -12.649 7.439 -12.309 1.00 33.32 H new ATOM 0 HG LEU A 34 -12.561 4.609 -13.429 1.00 21.44 H new ATOM 0 HD11 LEU A 34 -13.047 5.678 -15.610 1.00 21.11 H new ATOM 0 HD12 LEU A 34 -14.353 5.934 -14.429 1.00 21.11 H new ATOM 0 HD13 LEU A 34 -13.210 7.250 -14.792 1.00 21.11 H new ATOM 0 HD21 LEU A 34 -10.698 5.381 -14.863 1.00 32.23 H new ATOM 0 HD22 LEU A 34 -10.683 6.932 -13.991 1.00 32.23 H new ATOM 0 HD23 LEU A 34 -10.282 5.425 -13.133 1.00 32.23 H new ATOM 576 N GLN A 35 -13.414 6.259 -9.038 1.00 41.33 N ATOM 577 CA GLN A 35 -13.935 6.891 -7.796 1.00 73.31 C ATOM 578 C GLN A 35 -13.035 6.586 -6.576 1.00 10.01 C ATOM 579 O GLN A 35 -12.535 7.512 -5.928 1.00 40.53 O ATOM 580 CB GLN A 35 -15.418 6.475 -7.507 1.00 13.23 C ATOM 581 CG GLN A 35 -16.489 7.199 -8.368 1.00 3.31 C ATOM 582 CD GLN A 35 -16.531 6.754 -9.830 1.00 71.33 C ATOM 583 OE1 GLN A 35 -17.282 5.850 -10.199 1.00 51.20 O ATOM 584 NE2 GLN A 35 -15.715 7.365 -10.671 1.00 12.54 N ATOM 0 H GLN A 35 -13.951 5.448 -9.344 1.00 41.33 H new ATOM 0 HA GLN A 35 -13.918 7.968 -7.964 1.00 73.31 H new ATOM 0 HB2 GLN A 35 -15.514 5.401 -7.664 1.00 13.23 H new ATOM 0 HB3 GLN A 35 -15.633 6.663 -6.455 1.00 13.23 H new ATOM 0 HG2 GLN A 35 -17.469 7.032 -7.922 1.00 3.31 H new ATOM 0 HG3 GLN A 35 -16.301 8.272 -8.333 1.00 3.31 H new ATOM 0 HE21 GLN A 35 -15.104 8.111 -10.338 1.00 12.54 H new ATOM 0 HE22 GLN A 35 -15.696 7.091 -11.653 1.00 12.54 H new ATOM 593 N GLN A 36 -12.812 5.284 -6.284 1.00 40.42 N ATOM 594 CA GLN A 36 -12.054 4.842 -5.082 1.00 11.44 C ATOM 595 C GLN A 36 -10.566 5.265 -5.153 1.00 4.23 C ATOM 596 O GLN A 36 -9.881 5.320 -4.114 1.00 5.24 O ATOM 597 CB GLN A 36 -12.149 3.300 -4.902 1.00 22.44 C ATOM 598 CG GLN A 36 -13.578 2.740 -4.703 1.00 70.31 C ATOM 599 CD GLN A 36 -14.260 3.197 -3.408 1.00 70.43 C ATOM 600 OE1 GLN A 36 -13.609 3.452 -2.391 1.00 61.41 O ATOM 601 NE2 GLN A 36 -15.583 3.291 -3.422 1.00 74.55 N ATOM 0 H GLN A 36 -13.146 4.515 -6.865 1.00 40.42 H new ATOM 0 HA GLN A 36 -12.509 5.333 -4.222 1.00 11.44 H new ATOM 0 HB2 GLN A 36 -11.709 2.822 -5.777 1.00 22.44 H new ATOM 0 HB3 GLN A 36 -11.542 3.014 -4.043 1.00 22.44 H new ATOM 0 HG2 GLN A 36 -14.195 3.040 -5.550 1.00 70.31 H new ATOM 0 HG3 GLN A 36 -13.533 1.651 -4.712 1.00 70.31 H new ATOM 0 HE21 GLN A 36 -16.101 3.075 -4.274 1.00 74.55 H new ATOM 0 HE22 GLN A 36 -16.083 3.579 -2.581 1.00 74.55 H new ATOM 610 N GLU A 37 -10.088 5.567 -6.388 1.00 3.45 N ATOM 611 CA GLU A 37 -8.703 5.995 -6.635 1.00 31.41 C ATOM 612 C GLU A 37 -8.374 7.286 -5.871 1.00 53.11 C ATOM 613 O GLU A 37 -7.279 7.408 -5.368 1.00 33.12 O ATOM 614 CB GLU A 37 -8.406 6.223 -8.136 1.00 73.10 C ATOM 615 CG GLU A 37 -6.904 6.469 -8.463 1.00 24.00 C ATOM 616 CD GLU A 37 -6.626 7.291 -9.740 1.00 44.03 C ATOM 617 OE1 GLU A 37 -7.546 7.497 -10.568 1.00 64.54 O ATOM 618 OE2 GLU A 37 -5.468 7.718 -9.929 1.00 43.34 O ATOM 0 H GLU A 37 -10.657 5.518 -7.233 1.00 3.45 H new ATOM 0 HA GLU A 37 -8.075 5.178 -6.278 1.00 31.41 H new ATOM 0 HB2 GLU A 37 -8.750 5.355 -8.698 1.00 73.10 H new ATOM 0 HB3 GLU A 37 -8.986 7.078 -8.483 1.00 73.10 H new ATOM 0 HG2 GLU A 37 -6.445 6.980 -7.616 1.00 24.00 H new ATOM 0 HG3 GLU A 37 -6.408 5.503 -8.559 1.00 24.00 H new ATOM 625 N VAL A 38 -9.348 8.216 -5.766 1.00 71.11 N ATOM 626 CA VAL A 38 -9.165 9.511 -5.073 1.00 20.10 C ATOM 627 C VAL A 38 -8.626 9.293 -3.630 1.00 63.21 C ATOM 628 O VAL A 38 -7.606 9.883 -3.220 1.00 52.15 O ATOM 629 CB VAL A 38 -10.521 10.315 -5.030 1.00 33.20 C ATOM 630 CG1 VAL A 38 -10.360 11.672 -4.313 1.00 32.25 C ATOM 631 CG2 VAL A 38 -11.113 10.514 -6.450 1.00 52.03 C ATOM 0 H VAL A 38 -10.281 8.091 -6.158 1.00 71.11 H new ATOM 0 HA VAL A 38 -8.432 10.092 -5.633 1.00 20.10 H new ATOM 0 HB VAL A 38 -11.224 9.714 -4.453 1.00 33.20 H new ATOM 0 HG11 VAL A 38 -11.316 12.195 -4.305 1.00 32.25 H new ATOM 0 HG12 VAL A 38 -10.029 11.505 -3.288 1.00 32.25 H new ATOM 0 HG13 VAL A 38 -9.621 12.276 -4.839 1.00 32.25 H new ATOM 0 HG21 VAL A 38 -12.047 11.072 -6.380 1.00 52.03 H new ATOM 0 HG22 VAL A 38 -10.404 11.068 -7.065 1.00 52.03 H new ATOM 0 HG23 VAL A 38 -11.304 9.542 -6.904 1.00 52.03 H new ATOM 641 N SER A 39 -9.290 8.376 -2.905 1.00 33.31 N ATOM 642 CA SER A 39 -8.903 7.993 -1.542 1.00 30.02 C ATOM 643 C SER A 39 -7.625 7.140 -1.535 1.00 3.43 C ATOM 644 O SER A 39 -6.835 7.240 -0.605 1.00 3.21 O ATOM 645 CB SER A 39 -10.055 7.253 -0.847 1.00 64.54 C ATOM 646 OG SER A 39 -11.184 8.109 -0.723 1.00 35.25 O ATOM 0 H SER A 39 -10.111 7.880 -3.251 1.00 33.31 H new ATOM 0 HA SER A 39 -8.689 8.906 -0.987 1.00 30.02 H new ATOM 0 HB2 SER A 39 -10.324 6.365 -1.419 1.00 64.54 H new ATOM 0 HB3 SER A 39 -9.737 6.913 0.139 1.00 64.54 H new ATOM 0 HG SER A 39 -11.913 7.627 -0.280 1.00 35.25 H new ATOM 652 N TYR A 40 -7.425 6.312 -2.581 1.00 25.12 N ATOM 653 CA TYR A 40 -6.198 5.498 -2.736 1.00 44.44 C ATOM 654 C TYR A 40 -4.950 6.398 -2.865 1.00 61.12 C ATOM 655 O TYR A 40 -3.924 6.117 -2.247 1.00 64.32 O ATOM 656 CB TYR A 40 -6.324 4.561 -3.966 1.00 15.22 C ATOM 657 CG TYR A 40 -5.102 3.652 -4.232 1.00 73.15 C ATOM 658 CD1 TYR A 40 -4.593 2.816 -3.230 1.00 23.15 C ATOM 659 CD2 TYR A 40 -4.476 3.609 -5.489 1.00 35.22 C ATOM 660 CE1 TYR A 40 -3.509 1.989 -3.464 1.00 62.25 C ATOM 661 CE2 TYR A 40 -3.388 2.780 -5.722 1.00 31.22 C ATOM 662 CZ TYR A 40 -2.912 1.969 -4.710 1.00 3.50 C ATOM 663 OH TYR A 40 -1.842 1.128 -4.943 1.00 55.10 O ATOM 0 H TYR A 40 -8.100 6.188 -3.335 1.00 25.12 H new ATOM 0 HA TYR A 40 -6.080 4.886 -1.842 1.00 44.44 H new ATOM 0 HB2 TYR A 40 -7.203 3.930 -3.833 1.00 15.22 H new ATOM 0 HB3 TYR A 40 -6.501 5.172 -4.851 1.00 15.22 H new ATOM 0 HD1 TYR A 40 -5.056 2.817 -2.254 1.00 23.15 H new ATOM 0 HD2 TYR A 40 -4.848 4.232 -6.288 1.00 35.22 H new ATOM 0 HE1 TYR A 40 -3.129 1.359 -2.673 1.00 62.25 H new ATOM 0 HE2 TYR A 40 -2.914 2.769 -6.692 1.00 31.22 H new ATOM 0 HH TYR A 40 -1.549 1.222 -5.873 1.00 55.10 H new ATOM 673 N LEU A 41 -5.090 7.502 -3.626 1.00 24.33 N ATOM 674 CA LEU A 41 -4.004 8.458 -3.895 1.00 33.21 C ATOM 675 C LEU A 41 -3.662 9.234 -2.613 1.00 63.15 C ATOM 676 O LEU A 41 -2.495 9.271 -2.180 1.00 53.31 O ATOM 677 CB LEU A 41 -4.393 9.462 -5.026 1.00 4.51 C ATOM 678 CG LEU A 41 -4.726 8.870 -6.434 1.00 52.14 C ATOM 679 CD1 LEU A 41 -4.942 9.992 -7.479 1.00 23.41 C ATOM 680 CD2 LEU A 41 -3.669 7.842 -6.906 1.00 13.20 C ATOM 0 H LEU A 41 -5.971 7.755 -4.074 1.00 24.33 H new ATOM 0 HA LEU A 41 -3.134 7.891 -4.228 1.00 33.21 H new ATOM 0 HB2 LEU A 41 -5.259 10.031 -4.687 1.00 4.51 H new ATOM 0 HB3 LEU A 41 -3.573 10.170 -5.144 1.00 4.51 H new ATOM 0 HG LEU A 41 -5.665 8.325 -6.336 1.00 52.14 H new ATOM 0 HD11 LEU A 41 -5.172 9.548 -8.448 1.00 23.41 H new ATOM 0 HD12 LEU A 41 -5.771 10.627 -7.165 1.00 23.41 H new ATOM 0 HD13 LEU A 41 -4.036 10.592 -7.561 1.00 23.41 H new ATOM 0 HD21 LEU A 41 -3.946 7.460 -7.889 1.00 13.20 H new ATOM 0 HD22 LEU A 41 -2.693 8.325 -6.966 1.00 13.20 H new ATOM 0 HD23 LEU A 41 -3.622 7.016 -6.196 1.00 13.20 H new ATOM 692 N GLN A 42 -4.721 9.828 -2.005 1.00 72.24 N ATOM 693 CA GLN A 42 -4.602 10.633 -0.777 1.00 54.30 C ATOM 694 C GLN A 42 -3.932 9.823 0.345 1.00 31.01 C ATOM 695 O GLN A 42 -2.938 10.275 0.940 1.00 33.32 O ATOM 696 CB GLN A 42 -5.999 11.143 -0.320 1.00 71.51 C ATOM 697 CG GLN A 42 -5.959 12.095 0.898 1.00 33.13 C ATOM 698 CD GLN A 42 -7.334 12.615 1.335 1.00 44.23 C ATOM 699 OE1 GLN A 42 -8.243 12.778 0.523 1.00 4.23 O ATOM 700 NE2 GLN A 42 -7.494 12.885 2.620 1.00 34.03 N ATOM 0 H GLN A 42 -5.676 9.758 -2.357 1.00 72.24 H new ATOM 0 HA GLN A 42 -3.973 11.496 -0.997 1.00 54.30 H new ATOM 0 HB2 GLN A 42 -6.476 11.658 -1.154 1.00 71.51 H new ATOM 0 HB3 GLN A 42 -6.625 10.285 -0.076 1.00 71.51 H new ATOM 0 HG2 GLN A 42 -5.497 11.575 1.737 1.00 33.13 H new ATOM 0 HG3 GLN A 42 -5.320 12.946 0.659 1.00 33.13 H new ATOM 0 HE21 GLN A 42 -6.723 12.740 3.271 1.00 34.03 H new ATOM 0 HE22 GLN A 42 -8.389 13.238 2.959 1.00 34.03 H new ATOM 709 N SER A 43 -4.452 8.599 0.568 1.00 52.34 N ATOM 710 CA SER A 43 -3.955 7.703 1.614 1.00 53.20 C ATOM 711 C SER A 43 -2.480 7.348 1.381 1.00 21.21 C ATOM 712 O SER A 43 -1.657 7.662 2.233 1.00 11.32 O ATOM 713 CB SER A 43 -4.824 6.430 1.721 1.00 23.23 C ATOM 714 OG SER A 43 -6.148 6.763 2.113 1.00 41.34 O ATOM 0 H SER A 43 -5.225 8.212 0.027 1.00 52.34 H new ATOM 0 HA SER A 43 -4.025 8.232 2.565 1.00 53.20 H new ATOM 0 HB2 SER A 43 -4.842 5.913 0.762 1.00 23.23 H new ATOM 0 HB3 SER A 43 -4.386 5.743 2.445 1.00 23.23 H new ATOM 0 HG SER A 43 -6.679 6.981 1.319 1.00 41.34 H new ATOM 720 N ILE A 44 -2.153 6.790 0.188 1.00 2.20 N ATOM 721 CA ILE A 44 -0.807 6.239 -0.101 1.00 1.04 C ATOM 722 C ILE A 44 0.295 7.317 0.055 1.00 42.34 C ATOM 723 O ILE A 44 1.336 7.054 0.675 1.00 71.35 O ATOM 724 CB ILE A 44 -0.735 5.530 -1.525 1.00 2.54 C ATOM 725 CG1 ILE A 44 0.543 4.632 -1.660 1.00 31.13 C ATOM 726 CG2 ILE A 44 -0.823 6.539 -2.695 1.00 74.34 C ATOM 727 CD1 ILE A 44 0.672 3.883 -2.985 1.00 14.42 C ATOM 0 H ILE A 44 -2.807 6.710 -0.591 1.00 2.20 H new ATOM 0 HA ILE A 44 -0.619 5.465 0.644 1.00 1.04 H new ATOM 0 HB ILE A 44 -1.612 4.885 -1.589 1.00 2.54 H new ATOM 0 HG12 ILE A 44 1.424 5.259 -1.528 1.00 31.13 H new ATOM 0 HG13 ILE A 44 0.545 3.905 -0.848 1.00 31.13 H new ATOM 0 HG21 ILE A 44 -0.769 6.003 -3.643 1.00 74.34 H new ATOM 0 HG22 ILE A 44 -1.767 7.081 -2.638 1.00 74.34 H new ATOM 0 HG23 ILE A 44 0.005 7.245 -2.630 1.00 74.34 H new ATOM 0 HD11 ILE A 44 1.587 3.291 -2.981 1.00 14.42 H new ATOM 0 HD12 ILE A 44 -0.186 3.224 -3.115 1.00 14.42 H new ATOM 0 HD13 ILE A 44 0.707 4.599 -3.806 1.00 14.42 H new ATOM 739 N GLU A 45 0.027 8.548 -0.454 1.00 4.54 N ATOM 740 CA GLU A 45 0.960 9.685 -0.325 1.00 41.53 C ATOM 741 C GLU A 45 1.155 10.075 1.151 1.00 44.53 C ATOM 742 O GLU A 45 2.296 10.275 1.591 1.00 41.53 O ATOM 743 CB GLU A 45 0.478 10.899 -1.161 1.00 74.13 C ATOM 744 CG GLU A 45 0.839 10.832 -2.654 1.00 34.44 C ATOM 745 CD GLU A 45 2.358 10.886 -2.943 1.00 4.50 C ATOM 746 OE1 GLU A 45 3.036 11.807 -2.412 1.00 75.11 O ATOM 747 OE2 GLU A 45 2.871 10.046 -3.729 1.00 4.31 O ATOM 0 H GLU A 45 -0.831 8.773 -0.958 1.00 4.54 H new ATOM 0 HA GLU A 45 1.926 9.370 -0.719 1.00 41.53 H new ATOM 0 HB2 GLU A 45 -0.605 10.982 -1.066 1.00 74.13 H new ATOM 0 HB3 GLU A 45 0.906 11.808 -0.738 1.00 74.13 H new ATOM 0 HG2 GLU A 45 0.433 9.911 -3.073 1.00 34.44 H new ATOM 0 HG3 GLU A 45 0.353 11.659 -3.171 1.00 34.44 H new ATOM 754 N THR A 46 0.033 10.150 1.910 1.00 14.31 N ATOM 755 CA THR A 46 0.057 10.460 3.356 1.00 25.45 C ATOM 756 C THR A 46 0.963 9.468 4.128 1.00 62.22 C ATOM 757 O THR A 46 1.778 9.875 4.949 1.00 75.53 O ATOM 758 CB THR A 46 -1.398 10.480 3.957 1.00 53.31 C ATOM 759 OG1 THR A 46 -2.171 11.503 3.305 1.00 42.30 O ATOM 760 CG2 THR A 46 -1.415 10.744 5.473 1.00 31.23 C ATOM 0 H THR A 46 -0.905 9.998 1.538 1.00 14.31 H new ATOM 0 HA THR A 46 0.481 11.457 3.472 1.00 25.45 H new ATOM 0 HB THR A 46 -1.825 9.492 3.786 1.00 53.31 H new ATOM 0 HG1 THR A 46 -2.495 11.168 2.443 1.00 42.30 H new ATOM 0 HG21 THR A 46 -2.445 10.746 5.830 1.00 31.23 H new ATOM 0 HG22 THR A 46 -0.855 9.961 5.985 1.00 31.23 H new ATOM 0 HG23 THR A 46 -0.957 11.712 5.679 1.00 31.23 H new ATOM 768 N VAL A 47 0.854 8.182 3.779 1.00 51.23 N ATOM 769 CA VAL A 47 1.623 7.091 4.402 1.00 73.43 C ATOM 770 C VAL A 47 3.131 7.260 4.145 1.00 13.24 C ATOM 771 O VAL A 47 3.947 7.151 5.069 1.00 51.11 O ATOM 772 CB VAL A 47 1.143 5.706 3.850 1.00 31.43 C ATOM 773 CG1 VAL A 47 1.949 4.527 4.453 1.00 54.13 C ATOM 774 CG2 VAL A 47 -0.379 5.534 4.076 1.00 2.15 C ATOM 0 H VAL A 47 0.221 7.861 3.046 1.00 51.23 H new ATOM 0 HA VAL A 47 1.450 7.130 5.478 1.00 73.43 H new ATOM 0 HB VAL A 47 1.332 5.691 2.777 1.00 31.43 H new ATOM 0 HG11 VAL A 47 1.582 3.587 4.042 1.00 54.13 H new ATOM 0 HG12 VAL A 47 3.004 4.643 4.206 1.00 54.13 H new ATOM 0 HG13 VAL A 47 1.829 4.520 5.536 1.00 54.13 H new ATOM 0 HG21 VAL A 47 -0.698 4.567 3.687 1.00 2.15 H new ATOM 0 HG22 VAL A 47 -0.597 5.586 5.143 1.00 2.15 H new ATOM 0 HG23 VAL A 47 -0.916 6.328 3.557 1.00 2.15 H new ATOM 784 N MET A 48 3.472 7.550 2.876 1.00 63.41 N ATOM 785 CA MET A 48 4.872 7.676 2.420 1.00 1.53 C ATOM 786 C MET A 48 5.554 8.957 2.953 1.00 1.14 C ATOM 787 O MET A 48 6.779 8.993 3.080 1.00 72.12 O ATOM 788 CB MET A 48 4.938 7.606 0.867 1.00 41.33 C ATOM 789 CG MET A 48 4.523 6.238 0.303 1.00 71.11 C ATOM 790 SD MET A 48 4.613 6.133 -1.500 1.00 21.13 S ATOM 791 CE MET A 48 3.227 7.147 -2.022 1.00 13.40 C ATOM 0 H MET A 48 2.786 7.704 2.137 1.00 63.41 H new ATOM 0 HA MET A 48 5.430 6.836 2.835 1.00 1.53 H new ATOM 0 HB2 MET A 48 4.291 8.376 0.447 1.00 41.33 H new ATOM 0 HB3 MET A 48 5.954 7.832 0.543 1.00 41.33 H new ATOM 0 HG2 MET A 48 5.163 5.468 0.735 1.00 71.11 H new ATOM 0 HG3 MET A 48 3.503 6.019 0.620 1.00 71.11 H new ATOM 0 HE1 MET A 48 3.022 6.967 -3.077 1.00 13.40 H new ATOM 0 HE2 MET A 48 2.347 6.891 -1.432 1.00 13.40 H new ATOM 0 HE3 MET A 48 3.470 8.199 -1.874 1.00 13.40 H new ATOM 801 N GLU A 49 4.760 10.001 3.257 1.00 3.14 N ATOM 802 CA GLU A 49 5.291 11.283 3.785 1.00 3.21 C ATOM 803 C GLU A 49 5.267 11.343 5.323 1.00 2.50 C ATOM 804 O GLU A 49 5.953 12.179 5.920 1.00 41.40 O ATOM 805 CB GLU A 49 4.492 12.463 3.205 1.00 71.14 C ATOM 806 CG GLU A 49 4.567 12.585 1.670 1.00 32.53 C ATOM 807 CD GLU A 49 3.786 13.794 1.152 1.00 72.31 C ATOM 808 OE1 GLU A 49 4.385 14.703 0.540 1.00 70.05 O ATOM 809 OE2 GLU A 49 2.563 13.858 1.399 1.00 44.03 O ATOM 0 H GLU A 49 3.746 9.987 3.148 1.00 3.14 H new ATOM 0 HA GLU A 49 6.333 11.350 3.474 1.00 3.21 H new ATOM 0 HB2 GLU A 49 3.448 12.359 3.499 1.00 71.14 H new ATOM 0 HB3 GLU A 49 4.858 13.388 3.650 1.00 71.14 H new ATOM 0 HG2 GLU A 49 5.610 12.669 1.364 1.00 32.53 H new ATOM 0 HG3 GLU A 49 4.173 11.677 1.214 1.00 32.53 H new ATOM 816 N LYS A 50 4.460 10.481 5.962 1.00 35.33 N ATOM 817 CA LYS A 50 4.350 10.422 7.440 1.00 33.10 C ATOM 818 C LYS A 50 5.355 9.407 7.997 1.00 45.12 C ATOM 819 O LYS A 50 5.619 8.371 7.372 1.00 75.14 O ATOM 820 CB LYS A 50 2.886 10.112 7.900 1.00 31.44 C ATOM 821 CG LYS A 50 2.005 11.368 8.148 1.00 44.44 C ATOM 822 CD LYS A 50 1.918 12.328 6.935 1.00 11.33 C ATOM 823 CE LYS A 50 1.138 13.613 7.251 1.00 72.31 C ATOM 824 NZ LYS A 50 -0.255 13.340 7.696 1.00 35.12 N ATOM 0 H LYS A 50 3.867 9.807 5.478 1.00 35.33 H new ATOM 0 HA LYS A 50 4.596 11.403 7.846 1.00 33.10 H new ATOM 0 HB2 LYS A 50 2.406 9.491 7.144 1.00 31.44 H new ATOM 0 HB3 LYS A 50 2.924 9.525 8.817 1.00 31.44 H new ATOM 0 HG2 LYS A 50 0.999 11.046 8.416 1.00 44.44 H new ATOM 0 HG3 LYS A 50 2.403 11.915 9.003 1.00 44.44 H new ATOM 0 HD2 LYS A 50 2.925 12.590 6.611 1.00 11.33 H new ATOM 0 HD3 LYS A 50 1.439 11.813 6.102 1.00 11.33 H new ATOM 0 HE2 LYS A 50 1.661 14.170 8.028 1.00 72.31 H new ATOM 0 HE3 LYS A 50 1.115 14.247 6.365 1.00 72.31 H new ATOM 0 HZ1 LYS A 50 -0.922 13.837 7.072 1.00 35.12 H new ATOM 0 HZ2 LYS A 50 -0.438 12.317 7.655 1.00 35.12 H new ATOM 0 HZ3 LYS A 50 -0.379 13.675 8.673 1.00 35.12 H new ATOM 838 N GLN A 51 5.879 9.707 9.199 1.00 24.21 N ATOM 839 CA GLN A 51 7.032 9.008 9.777 1.00 33.23 C ATOM 840 C GLN A 51 6.701 7.571 10.212 1.00 52.51 C ATOM 841 O GLN A 51 5.593 7.278 10.680 1.00 74.24 O ATOM 842 CB GLN A 51 7.603 9.819 10.970 1.00 11.01 C ATOM 843 CG GLN A 51 6.650 9.985 12.180 1.00 61.13 C ATOM 844 CD GLN A 51 7.182 10.911 13.279 1.00 31.23 C ATOM 845 OE1 GLN A 51 6.414 11.590 13.966 1.00 14.21 O ATOM 846 NE2 GLN A 51 8.491 10.935 13.488 1.00 22.24 N ATOM 0 H GLN A 51 5.509 10.446 9.797 1.00 24.21 H new ATOM 0 HA GLN A 51 7.786 8.931 8.994 1.00 33.23 H new ATOM 0 HB2 GLN A 51 8.516 9.333 11.313 1.00 11.01 H new ATOM 0 HB3 GLN A 51 7.884 10.810 10.612 1.00 11.01 H new ATOM 0 HG2 GLN A 51 5.695 10.373 11.825 1.00 61.13 H new ATOM 0 HG3 GLN A 51 6.455 9.003 12.611 1.00 61.13 H new ATOM 0 HE21 GLN A 51 9.110 10.367 12.910 1.00 22.24 H new ATOM 0 HE22 GLN A 51 8.879 11.522 14.227 1.00 22.24 H new ATOM 855 N THR A 52 7.680 6.686 10.018 1.00 51.02 N ATOM 856 CA THR A 52 7.656 5.311 10.503 1.00 60.55 C ATOM 857 C THR A 52 8.049 5.305 12.002 1.00 41.45 C ATOM 858 O THR A 52 9.156 5.750 12.338 1.00 64.20 O ATOM 859 CB THR A 52 8.644 4.429 9.663 1.00 32.44 C ATOM 860 OG1 THR A 52 8.247 4.445 8.277 1.00 2.11 O ATOM 861 CG2 THR A 52 8.719 2.976 10.159 1.00 0.54 C ATOM 0 H THR A 52 8.532 6.915 9.506 1.00 51.02 H new ATOM 0 HA THR A 52 6.656 4.892 10.393 1.00 60.55 H new ATOM 0 HB THR A 52 9.638 4.860 9.783 1.00 32.44 H new ATOM 0 HG1 THR A 52 7.403 3.957 8.173 1.00 2.11 H new ATOM 0 HG21 THR A 52 9.418 2.415 9.539 1.00 0.54 H new ATOM 0 HG22 THR A 52 9.060 2.962 11.194 1.00 0.54 H new ATOM 0 HG23 THR A 52 7.732 2.519 10.096 1.00 0.54 H new ATOM 869 N PRO A 53 7.146 4.850 12.932 1.00 14.31 N ATOM 870 CA PRO A 53 7.447 4.830 14.386 1.00 3.43 C ATOM 871 C PRO A 53 8.655 3.905 14.723 1.00 52.35 C ATOM 872 O PRO A 53 8.921 2.941 13.991 1.00 74.32 O ATOM 873 CB PRO A 53 6.124 4.305 15.019 1.00 70.44 C ATOM 874 CG PRO A 53 5.427 3.585 13.904 1.00 41.11 C ATOM 875 CD PRO A 53 5.776 4.345 12.650 1.00 61.33 C ATOM 0 HA PRO A 53 7.742 5.808 14.766 1.00 3.43 H new ATOM 0 HB2 PRO A 53 6.324 3.638 15.857 1.00 70.44 H new ATOM 0 HB3 PRO A 53 5.516 5.125 15.402 1.00 70.44 H new ATOM 0 HG2 PRO A 53 5.758 2.549 13.839 1.00 41.11 H new ATOM 0 HG3 PRO A 53 4.349 3.566 14.063 1.00 41.11 H new ATOM 0 HD2 PRO A 53 5.757 3.702 11.770 1.00 61.33 H new ATOM 0 HD3 PRO A 53 5.076 5.160 12.465 1.00 61.33 H new ATOM 883 N PRO A 54 9.391 4.184 15.846 1.00 0.33 N ATOM 884 CA PRO A 54 10.547 3.361 16.267 1.00 31.12 C ATOM 885 C PRO A 54 10.121 1.952 16.736 1.00 32.55 C ATOM 886 O PRO A 54 10.726 0.954 16.329 1.00 32.13 O ATOM 887 CB PRO A 54 11.197 4.194 17.407 1.00 34.54 C ATOM 888 CG PRO A 54 10.082 5.046 17.944 1.00 52.22 C ATOM 889 CD PRO A 54 9.185 5.346 16.761 1.00 31.15 C ATOM 0 HA PRO A 54 11.241 3.166 15.449 1.00 31.12 H new ATOM 0 HB2 PRO A 54 11.610 3.549 18.182 1.00 34.54 H new ATOM 0 HB3 PRO A 54 12.017 4.806 17.031 1.00 34.54 H new ATOM 0 HG2 PRO A 54 9.534 4.524 18.728 1.00 52.22 H new ATOM 0 HG3 PRO A 54 10.469 5.965 18.384 1.00 52.22 H new ATOM 0 HD2 PRO A 54 8.142 5.435 17.064 1.00 31.15 H new ATOM 0 HD3 PRO A 54 9.459 6.285 16.281 1.00 31.15 H new ATOM 897 N GLY A 55 9.079 1.896 17.591 1.00 53.13 N ATOM 898 CA GLY A 55 8.599 0.648 18.185 1.00 1.43 C ATOM 899 C GLY A 55 7.827 -0.229 17.202 1.00 63.21 C ATOM 900 O GLY A 55 6.596 -0.237 17.197 1.00 25.14 O ATOM 0 H GLY A 55 8.552 2.719 17.884 1.00 53.13 H new ATOM 0 HA2 GLY A 55 9.450 0.087 18.572 1.00 1.43 H new ATOM 0 HA3 GLY A 55 7.958 0.881 19.035 1.00 1.43 H new ATOM 904 N ILE A 56 8.568 -0.951 16.353 1.00 55.10 N ATOM 905 CA ILE A 56 8.032 -1.930 15.389 1.00 11.30 C ATOM 906 C ILE A 56 8.803 -3.245 15.581 1.00 40.20 C ATOM 907 O ILE A 56 9.994 -3.327 15.255 1.00 12.30 O ATOM 908 CB ILE A 56 8.163 -1.415 13.899 1.00 74.24 C ATOM 909 CG1 ILE A 56 7.242 -0.176 13.651 1.00 73.01 C ATOM 910 CG2 ILE A 56 7.884 -2.539 12.861 1.00 21.43 C ATOM 911 CD1 ILE A 56 7.322 0.409 12.253 1.00 35.15 C ATOM 0 H ILE A 56 9.584 -0.871 16.313 1.00 55.10 H new ATOM 0 HA ILE A 56 6.968 -2.080 15.572 1.00 11.30 H new ATOM 0 HB ILE A 56 9.198 -1.104 13.758 1.00 74.24 H new ATOM 0 HG12 ILE A 56 6.210 -0.463 13.851 1.00 73.01 H new ATOM 0 HG13 ILE A 56 7.501 0.601 14.370 1.00 73.01 H new ATOM 0 HG21 ILE A 56 7.986 -2.137 11.853 1.00 21.43 H new ATOM 0 HG22 ILE A 56 8.598 -3.350 13.002 1.00 21.43 H new ATOM 0 HG23 ILE A 56 6.872 -2.919 12.999 1.00 21.43 H new ATOM 0 HD11 ILE A 56 6.649 1.263 12.177 1.00 35.15 H new ATOM 0 HD12 ILE A 56 8.343 0.733 12.052 1.00 35.15 H new ATOM 0 HD13 ILE A 56 7.031 -0.348 11.525 1.00 35.15 H new ATOM 923 N THR A 57 8.138 -4.249 16.159 1.00 64.42 N ATOM 924 CA THR A 57 8.729 -5.568 16.422 1.00 14.33 C ATOM 925 C THR A 57 8.681 -6.456 15.162 1.00 40.43 C ATOM 926 O THR A 57 8.212 -6.016 14.108 1.00 51.25 O ATOM 927 CB THR A 57 7.987 -6.244 17.620 1.00 63.22 C ATOM 928 OG1 THR A 57 6.574 -6.256 17.367 1.00 1.10 O ATOM 929 CG2 THR A 57 8.264 -5.519 18.955 1.00 64.04 C ATOM 0 H THR A 57 7.167 -4.171 16.461 1.00 64.42 H new ATOM 0 HA THR A 57 9.779 -5.440 16.687 1.00 14.33 H new ATOM 0 HB THR A 57 8.363 -7.263 17.709 1.00 63.22 H new ATOM 0 HG1 THR A 57 6.111 -6.682 18.118 1.00 1.10 H new ATOM 0 HG21 THR A 57 7.729 -6.022 19.760 1.00 64.04 H new ATOM 0 HG22 THR A 57 9.334 -5.537 19.164 1.00 64.04 H new ATOM 0 HG23 THR A 57 7.925 -4.485 18.885 1.00 64.04 H new ATOM 937 N ARG A 58 9.172 -7.706 15.308 1.00 42.53 N ATOM 938 CA ARG A 58 9.277 -8.703 14.226 1.00 70.34 C ATOM 939 C ARG A 58 7.927 -8.921 13.512 1.00 31.13 C ATOM 940 O ARG A 58 7.840 -8.733 12.301 1.00 30.23 O ATOM 941 CB ARG A 58 9.811 -10.046 14.811 1.00 0.41 C ATOM 942 CG ARG A 58 9.873 -11.229 13.815 1.00 72.44 C ATOM 943 CD ARG A 58 10.843 -11.012 12.640 1.00 65.23 C ATOM 944 NE ARG A 58 10.832 -12.172 11.726 1.00 43.13 N ATOM 945 CZ ARG A 58 11.683 -12.377 10.699 1.00 43.31 C ATOM 946 NH1 ARG A 58 12.632 -11.498 10.409 1.00 3.30 N ATOM 947 NH2 ARG A 58 11.582 -13.480 9.966 1.00 51.10 N ATOM 0 H ARG A 58 9.514 -8.056 16.203 1.00 42.53 H new ATOM 0 HA ARG A 58 9.975 -8.325 13.479 1.00 70.34 H new ATOM 0 HB2 ARG A 58 10.811 -9.876 15.209 1.00 0.41 H new ATOM 0 HB3 ARG A 58 9.178 -10.334 15.651 1.00 0.41 H new ATOM 0 HG2 ARG A 58 10.169 -12.129 14.354 1.00 72.44 H new ATOM 0 HG3 ARG A 58 8.874 -11.409 13.419 1.00 72.44 H new ATOM 0 HD2 ARG A 58 10.563 -10.111 12.094 1.00 65.23 H new ATOM 0 HD3 ARG A 58 11.852 -10.854 13.021 1.00 65.23 H new ATOM 0 HE ARG A 58 10.117 -12.882 11.885 1.00 43.13 H new ATOM 0 HH11 ARG A 58 12.728 -10.649 10.966 1.00 3.30 H new ATOM 0 HH12 ARG A 58 13.266 -11.671 9.629 1.00 3.30 H new ATOM 0 HH21 ARG A 58 10.862 -14.170 10.180 1.00 51.10 H new ATOM 0 HH22 ARG A 58 12.224 -13.637 9.189 1.00 51.10 H new ATOM 961 N SER A 59 6.884 -9.273 14.294 1.00 4.05 N ATOM 962 CA SER A 59 5.536 -9.571 13.766 1.00 74.43 C ATOM 963 C SER A 59 4.932 -8.373 13.009 1.00 65.20 C ATOM 964 O SER A 59 4.314 -8.547 11.957 1.00 2.42 O ATOM 965 CB SER A 59 4.604 -9.997 14.917 1.00 4.43 C ATOM 966 OG SER A 59 5.184 -11.052 15.664 1.00 53.32 O ATOM 0 H SER A 59 6.953 -9.358 15.308 1.00 4.05 H new ATOM 0 HA SER A 59 5.635 -10.389 13.053 1.00 74.43 H new ATOM 0 HB2 SER A 59 4.411 -9.146 15.570 1.00 4.43 H new ATOM 0 HB3 SER A 59 3.642 -10.315 14.515 1.00 4.43 H new ATOM 0 HG SER A 59 4.580 -11.309 16.391 1.00 53.32 H new ATOM 972 N ILE A 60 5.148 -7.165 13.563 1.00 3.15 N ATOM 973 CA ILE A 60 4.674 -5.902 12.969 1.00 40.15 C ATOM 974 C ILE A 60 5.397 -5.624 11.638 1.00 14.34 C ATOM 975 O ILE A 60 4.770 -5.214 10.669 1.00 74.44 O ATOM 976 CB ILE A 60 4.879 -4.692 13.957 1.00 55.03 C ATOM 977 CG1 ILE A 60 4.165 -4.975 15.313 1.00 13.11 C ATOM 978 CG2 ILE A 60 4.382 -3.359 13.332 1.00 15.22 C ATOM 979 CD1 ILE A 60 4.386 -3.924 16.382 1.00 74.23 C ATOM 0 H ILE A 60 5.658 -7.038 14.437 1.00 3.15 H new ATOM 0 HA ILE A 60 3.606 -6.008 12.777 1.00 40.15 H new ATOM 0 HB ILE A 60 5.947 -4.584 14.144 1.00 55.03 H new ATOM 0 HG12 ILE A 60 3.094 -5.067 15.131 1.00 13.11 H new ATOM 0 HG13 ILE A 60 4.508 -5.937 15.694 1.00 13.11 H new ATOM 0 HG21 ILE A 60 4.538 -2.545 14.040 1.00 15.22 H new ATOM 0 HG22 ILE A 60 4.939 -3.156 12.417 1.00 15.22 H new ATOM 0 HG23 ILE A 60 3.320 -3.440 13.100 1.00 15.22 H new ATOM 0 HD11 ILE A 60 3.850 -4.208 17.288 1.00 74.23 H new ATOM 0 HD12 ILE A 60 5.451 -3.845 16.600 1.00 74.23 H new ATOM 0 HD13 ILE A 60 4.016 -2.962 16.028 1.00 74.23 H new ATOM 991 N GLN A 61 6.710 -5.898 11.613 1.00 11.42 N ATOM 992 CA GLN A 61 7.580 -5.683 10.445 1.00 64.13 C ATOM 993 C GLN A 61 7.148 -6.591 9.274 1.00 43.45 C ATOM 994 O GLN A 61 7.144 -6.166 8.114 1.00 43.33 O ATOM 995 CB GLN A 61 9.048 -5.964 10.855 1.00 73.22 C ATOM 996 CG GLN A 61 10.114 -5.608 9.804 1.00 45.30 C ATOM 997 CD GLN A 61 11.530 -5.964 10.258 1.00 75.12 C ATOM 998 OE1 GLN A 61 11.732 -6.927 10.992 1.00 74.44 O ATOM 999 NE2 GLN A 61 12.519 -5.197 9.834 1.00 3.51 N ATOM 0 H GLN A 61 7.206 -6.282 12.417 1.00 11.42 H new ATOM 0 HA GLN A 61 7.494 -4.650 10.107 1.00 64.13 H new ATOM 0 HB2 GLN A 61 9.264 -5.408 11.767 1.00 73.22 H new ATOM 0 HB3 GLN A 61 9.142 -7.023 11.097 1.00 73.22 H new ATOM 0 HG2 GLN A 61 9.892 -6.132 8.875 1.00 45.30 H new ATOM 0 HG3 GLN A 61 10.063 -4.541 9.588 1.00 45.30 H new ATOM 0 HE21 GLN A 61 12.323 -4.403 9.225 1.00 3.51 H new ATOM 0 HE22 GLN A 61 13.478 -5.399 10.116 1.00 3.51 H new ATOM 1008 N ASP A 62 6.754 -7.834 9.614 1.00 65.15 N ATOM 1009 CA ASP A 62 6.263 -8.825 8.636 1.00 43.21 C ATOM 1010 C ASP A 62 4.847 -8.472 8.125 1.00 53.03 C ATOM 1011 O ASP A 62 4.546 -8.682 6.944 1.00 34.01 O ATOM 1012 CB ASP A 62 6.260 -10.250 9.244 1.00 43.21 C ATOM 1013 CG ASP A 62 7.666 -10.824 9.511 1.00 32.51 C ATOM 1014 OD1 ASP A 62 8.033 -11.057 10.683 1.00 71.44 O ATOM 1015 OD2 ASP A 62 8.411 -11.059 8.535 1.00 71.32 O ATOM 0 H ASP A 62 6.767 -8.179 10.574 1.00 65.15 H new ATOM 0 HA ASP A 62 6.948 -8.801 7.788 1.00 43.21 H new ATOM 0 HB2 ASP A 62 5.703 -10.233 10.181 1.00 43.21 H new ATOM 0 HB3 ASP A 62 5.728 -10.920 8.569 1.00 43.21 H new ATOM 1020 N MET A 63 3.973 -7.957 9.025 1.00 41.55 N ATOM 1021 CA MET A 63 2.600 -7.535 8.646 1.00 43.15 C ATOM 1022 C MET A 63 2.639 -6.342 7.678 1.00 23.53 C ATOM 1023 O MET A 63 1.984 -6.366 6.628 1.00 20.41 O ATOM 1024 CB MET A 63 1.724 -7.204 9.894 1.00 72.44 C ATOM 1025 CG MET A 63 1.345 -8.422 10.752 1.00 32.53 C ATOM 1026 SD MET A 63 0.169 -8.022 12.069 1.00 61.13 S ATOM 1027 CE MET A 63 1.093 -6.856 13.076 1.00 22.12 C ATOM 0 H MET A 63 4.192 -7.824 10.012 1.00 41.55 H new ATOM 0 HA MET A 63 2.135 -8.379 8.137 1.00 43.15 H new ATOM 0 HB2 MET A 63 2.260 -6.489 10.518 1.00 72.44 H new ATOM 0 HB3 MET A 63 0.810 -6.713 9.560 1.00 72.44 H new ATOM 0 HG2 MET A 63 0.916 -9.192 10.111 1.00 32.53 H new ATOM 0 HG3 MET A 63 2.248 -8.843 11.194 1.00 32.53 H new ATOM 0 HE1 MET A 63 0.485 -6.549 13.927 1.00 22.12 H new ATOM 0 HE2 MET A 63 2.007 -7.329 13.434 1.00 22.12 H new ATOM 0 HE3 MET A 63 1.348 -5.981 12.478 1.00 22.12 H new ATOM 1037 N VAL A 64 3.442 -5.321 8.034 1.00 21.44 N ATOM 1038 CA VAL A 64 3.619 -4.108 7.226 1.00 23.31 C ATOM 1039 C VAL A 64 4.222 -4.452 5.851 1.00 65.01 C ATOM 1040 O VAL A 64 3.600 -4.154 4.833 1.00 14.33 O ATOM 1041 CB VAL A 64 4.498 -3.038 7.984 1.00 13.12 C ATOM 1042 CG1 VAL A 64 4.850 -1.846 7.072 1.00 34.30 C ATOM 1043 CG2 VAL A 64 3.779 -2.541 9.268 1.00 11.34 C ATOM 0 H VAL A 64 3.987 -5.319 8.896 1.00 21.44 H new ATOM 0 HA VAL A 64 2.636 -3.667 7.062 1.00 23.31 H new ATOM 0 HB VAL A 64 5.429 -3.527 8.272 1.00 13.12 H new ATOM 0 HG11 VAL A 64 5.456 -1.130 7.627 1.00 34.30 H new ATOM 0 HG12 VAL A 64 5.411 -2.202 6.208 1.00 34.30 H new ATOM 0 HG13 VAL A 64 3.933 -1.362 6.735 1.00 34.30 H new ATOM 0 HG21 VAL A 64 4.404 -1.805 9.773 1.00 11.34 H new ATOM 0 HG22 VAL A 64 2.827 -2.085 8.998 1.00 11.34 H new ATOM 0 HG23 VAL A 64 3.601 -3.385 9.935 1.00 11.34 H new ATOM 1053 N ALA A 65 5.398 -5.130 5.830 1.00 74.54 N ATOM 1054 CA ALA A 65 6.079 -5.504 4.564 1.00 41.51 C ATOM 1055 C ALA A 65 5.226 -6.482 3.736 1.00 23.31 C ATOM 1056 O ALA A 65 5.334 -6.506 2.512 1.00 22.52 O ATOM 1057 CB ALA A 65 7.477 -6.096 4.814 1.00 20.24 C ATOM 0 H ALA A 65 5.892 -5.428 6.671 1.00 74.54 H new ATOM 0 HA ALA A 65 6.204 -4.584 3.993 1.00 41.51 H new ATOM 0 HB1 ALA A 65 7.938 -6.355 3.861 1.00 20.24 H new ATOM 0 HB2 ALA A 65 8.096 -5.362 5.329 1.00 20.24 H new ATOM 0 HB3 ALA A 65 7.388 -6.991 5.429 1.00 20.24 H new ATOM 1063 N GLY A 66 4.375 -7.268 4.427 1.00 44.10 N ATOM 1064 CA GLY A 66 3.427 -8.158 3.763 1.00 51.42 C ATOM 1065 C GLY A 66 2.350 -7.386 3.005 1.00 13.12 C ATOM 1066 O GLY A 66 1.968 -7.762 1.889 1.00 32.33 O ATOM 0 H GLY A 66 4.332 -7.297 5.446 1.00 44.10 H new ATOM 0 HA2 GLY A 66 3.963 -8.806 3.070 1.00 51.42 H new ATOM 0 HA3 GLY A 66 2.956 -8.804 4.504 1.00 51.42 H new ATOM 1070 N TYR A 67 1.874 -6.289 3.624 1.00 73.23 N ATOM 1071 CA TYR A 67 0.883 -5.382 3.022 1.00 71.00 C ATOM 1072 C TYR A 67 1.490 -4.559 1.884 1.00 61.22 C ATOM 1073 O TYR A 67 0.792 -4.288 0.900 1.00 41.52 O ATOM 1074 CB TYR A 67 0.253 -4.446 4.089 1.00 60.52 C ATOM 1075 CG TYR A 67 -0.683 -5.144 5.092 1.00 64.11 C ATOM 1076 CD1 TYR A 67 -1.177 -6.446 4.876 1.00 63.41 C ATOM 1077 CD2 TYR A 67 -1.098 -4.488 6.243 1.00 11.21 C ATOM 1078 CE1 TYR A 67 -2.037 -7.045 5.771 1.00 33.51 C ATOM 1079 CE2 TYR A 67 -1.956 -5.087 7.135 1.00 20.25 C ATOM 1080 CZ TYR A 67 -2.422 -6.363 6.898 1.00 31.13 C ATOM 1081 OH TYR A 67 -3.277 -6.966 7.801 1.00 24.00 O ATOM 0 H TYR A 67 2.168 -6.007 4.559 1.00 73.23 H new ATOM 0 HA TYR A 67 0.093 -6.006 2.603 1.00 71.00 H new ATOM 0 HB2 TYR A 67 1.055 -3.958 4.642 1.00 60.52 H new ATOM 0 HB3 TYR A 67 -0.305 -3.661 3.579 1.00 60.52 H new ATOM 0 HD1 TYR A 67 -0.875 -6.986 3.991 1.00 63.41 H new ATOM 0 HD2 TYR A 67 -0.740 -3.488 6.441 1.00 11.21 H new ATOM 0 HE1 TYR A 67 -2.405 -8.043 5.587 1.00 33.51 H new ATOM 0 HE2 TYR A 67 -2.266 -4.557 8.023 1.00 20.25 H new ATOM 0 HH TYR A 67 -3.452 -6.353 8.545 1.00 24.00 H new ATOM 1091 N ILE A 68 2.783 -4.169 2.024 1.00 74.02 N ATOM 1092 CA ILE A 68 3.500 -3.437 0.963 1.00 1.24 C ATOM 1093 C ILE A 68 3.598 -4.354 -0.271 1.00 41.54 C ATOM 1094 O ILE A 68 3.203 -3.963 -1.353 1.00 42.54 O ATOM 1095 CB ILE A 68 4.949 -2.944 1.371 1.00 23.21 C ATOM 1096 CG1 ILE A 68 4.957 -2.229 2.760 1.00 23.04 C ATOM 1097 CG2 ILE A 68 5.525 -2.002 0.271 1.00 71.51 C ATOM 1098 CD1 ILE A 68 6.315 -1.712 3.218 1.00 50.13 C ATOM 0 H ILE A 68 3.342 -4.351 2.858 1.00 74.02 H new ATOM 0 HA ILE A 68 2.929 -2.531 0.759 1.00 1.24 H new ATOM 0 HB ILE A 68 5.583 -3.826 1.458 1.00 23.21 H new ATOM 0 HG12 ILE A 68 4.261 -1.391 2.723 1.00 23.04 H new ATOM 0 HG13 ILE A 68 4.579 -2.924 3.510 1.00 23.04 H new ATOM 0 HG21 ILE A 68 6.521 -1.669 0.562 1.00 71.51 H new ATOM 0 HG22 ILE A 68 5.584 -2.541 -0.675 1.00 71.51 H new ATOM 0 HG23 ILE A 68 4.873 -1.136 0.155 1.00 71.51 H new ATOM 0 HD11 ILE A 68 6.212 -1.233 4.192 1.00 50.13 H new ATOM 0 HD12 ILE A 68 7.014 -2.545 3.295 1.00 50.13 H new ATOM 0 HD13 ILE A 68 6.691 -0.988 2.495 1.00 50.13 H new ATOM 1110 N LYS A 69 4.041 -5.613 -0.038 1.00 71.45 N ATOM 1111 CA LYS A 69 4.141 -6.666 -1.074 1.00 62.31 C ATOM 1112 C LYS A 69 2.804 -6.848 -1.798 1.00 53.43 C ATOM 1113 O LYS A 69 2.759 -6.854 -3.031 1.00 20.24 O ATOM 1114 CB LYS A 69 4.590 -8.014 -0.430 1.00 41.22 C ATOM 1115 CG LYS A 69 4.631 -9.242 -1.375 1.00 1.51 C ATOM 1116 CD LYS A 69 5.460 -9.004 -2.661 1.00 33.44 C ATOM 1117 CE LYS A 69 5.510 -10.243 -3.566 1.00 2.13 C ATOM 1118 NZ LYS A 69 5.989 -9.908 -4.936 1.00 63.33 N ATOM 0 H LYS A 69 4.342 -5.928 0.884 1.00 71.45 H new ATOM 0 HA LYS A 69 4.887 -6.355 -1.805 1.00 62.31 H new ATOM 0 HB2 LYS A 69 5.584 -7.876 -0.004 1.00 41.22 H new ATOM 0 HB3 LYS A 69 3.917 -8.240 0.397 1.00 41.22 H new ATOM 0 HG2 LYS A 69 5.048 -10.092 -0.835 1.00 1.51 H new ATOM 0 HG3 LYS A 69 3.612 -9.510 -1.654 1.00 1.51 H new ATOM 0 HD2 LYS A 69 5.032 -8.170 -3.216 1.00 33.44 H new ATOM 0 HD3 LYS A 69 6.475 -8.717 -2.387 1.00 33.44 H new ATOM 0 HE2 LYS A 69 6.169 -10.990 -3.123 1.00 2.13 H new ATOM 0 HE3 LYS A 69 4.517 -10.689 -3.627 1.00 2.13 H new ATOM 0 HZ1 LYS A 69 6.251 -10.782 -5.435 1.00 63.33 H new ATOM 0 HZ2 LYS A 69 5.232 -9.424 -5.460 1.00 63.33 H new ATOM 0 HZ3 LYS A 69 6.819 -9.284 -4.871 1.00 63.33 H new ATOM 1132 N GLN A 70 1.724 -6.950 -1.004 1.00 54.32 N ATOM 1133 CA GLN A 70 0.370 -7.178 -1.516 1.00 21.30 C ATOM 1134 C GLN A 70 -0.068 -6.033 -2.440 1.00 15.20 C ATOM 1135 O GLN A 70 -0.556 -6.283 -3.538 1.00 41.12 O ATOM 1136 CB GLN A 70 -0.634 -7.336 -0.351 1.00 73.12 C ATOM 1137 CG GLN A 70 -2.051 -7.748 -0.801 1.00 30.43 C ATOM 1138 CD GLN A 70 -3.051 -7.876 0.345 1.00 51.42 C ATOM 1139 OE1 GLN A 70 -2.963 -7.166 1.344 1.00 21.24 O ATOM 1140 NE2 GLN A 70 -3.988 -8.805 0.225 1.00 10.35 N ATOM 0 H GLN A 70 1.770 -6.876 0.012 1.00 54.32 H new ATOM 0 HA GLN A 70 0.382 -8.101 -2.095 1.00 21.30 H new ATOM 0 HB2 GLN A 70 -0.253 -8.083 0.346 1.00 73.12 H new ATOM 0 HB3 GLN A 70 -0.696 -6.394 0.193 1.00 73.12 H new ATOM 0 HG2 GLN A 70 -2.423 -7.013 -1.514 1.00 30.43 H new ATOM 0 HG3 GLN A 70 -1.992 -8.701 -1.327 1.00 30.43 H new ATOM 0 HE21 GLN A 70 -4.033 -9.378 -0.618 1.00 10.35 H new ATOM 0 HE22 GLN A 70 -4.664 -8.947 0.975 1.00 10.35 H new ATOM 1149 N THR A 71 0.167 -4.776 -2.002 1.00 2.20 N ATOM 1150 CA THR A 71 -0.275 -3.588 -2.741 1.00 24.03 C ATOM 1151 C THR A 71 0.666 -3.274 -3.915 1.00 3.05 C ATOM 1152 O THR A 71 0.254 -2.581 -4.833 1.00 34.03 O ATOM 1153 CB THR A 71 -0.483 -2.337 -1.813 1.00 62.13 C ATOM 1154 OG1 THR A 71 -1.050 -1.248 -2.562 1.00 10.10 O ATOM 1155 CG2 THR A 71 0.786 -1.835 -1.114 1.00 25.34 C ATOM 0 H THR A 71 0.663 -4.565 -1.136 1.00 2.20 H new ATOM 0 HA THR A 71 -1.254 -3.827 -3.155 1.00 24.03 H new ATOM 0 HB THR A 71 -1.159 -2.682 -1.030 1.00 62.13 H new ATOM 0 HG1 THR A 71 -1.992 -1.439 -2.755 1.00 10.10 H new ATOM 0 HG21 THR A 71 0.543 -0.970 -0.496 1.00 25.34 H new ATOM 0 HG22 THR A 71 1.193 -2.627 -0.485 1.00 25.34 H new ATOM 0 HG23 THR A 71 1.525 -1.550 -1.863 1.00 25.34 H new ATOM 1163 N LEU A 72 1.925 -3.773 -3.872 1.00 4.44 N ATOM 1164 CA LEU A 72 2.871 -3.655 -5.012 1.00 41.14 C ATOM 1165 C LEU A 72 2.494 -4.659 -6.105 1.00 23.13 C ATOM 1166 O LEU A 72 2.716 -4.404 -7.293 1.00 52.13 O ATOM 1167 CB LEU A 72 4.364 -3.870 -4.594 1.00 53.03 C ATOM 1168 CG LEU A 72 4.964 -2.839 -3.581 1.00 1.42 C ATOM 1169 CD1 LEU A 72 6.501 -2.960 -3.466 1.00 64.25 C ATOM 1170 CD2 LEU A 72 4.527 -1.408 -3.919 1.00 44.24 C ATOM 0 H LEU A 72 2.310 -4.260 -3.063 1.00 4.44 H new ATOM 0 HA LEU A 72 2.788 -2.635 -5.387 1.00 41.14 H new ATOM 0 HB2 LEU A 72 4.456 -4.866 -4.161 1.00 53.03 H new ATOM 0 HB3 LEU A 72 4.976 -3.857 -5.496 1.00 53.03 H new ATOM 0 HG LEU A 72 4.560 -3.082 -2.598 1.00 1.42 H new ATOM 0 HD11 LEU A 72 6.871 -2.225 -2.752 1.00 64.25 H new ATOM 0 HD12 LEU A 72 6.763 -3.961 -3.124 1.00 64.25 H new ATOM 0 HD13 LEU A 72 6.954 -2.779 -4.441 1.00 64.25 H new ATOM 0 HD21 LEU A 72 4.960 -0.715 -3.197 1.00 44.24 H new ATOM 0 HD22 LEU A 72 4.870 -1.150 -4.921 1.00 44.24 H new ATOM 0 HD23 LEU A 72 3.440 -1.341 -3.879 1.00 44.24 H new ATOM 1182 N ASP A 73 1.940 -5.809 -5.678 1.00 4.12 N ATOM 1183 CA ASP A 73 1.418 -6.829 -6.597 1.00 71.12 C ATOM 1184 C ASP A 73 0.145 -6.318 -7.270 1.00 73.42 C ATOM 1185 O ASP A 73 0.058 -6.328 -8.490 1.00 54.55 O ATOM 1186 CB ASP A 73 1.147 -8.177 -5.868 1.00 12.25 C ATOM 1187 CG ASP A 73 2.421 -8.915 -5.413 1.00 64.22 C ATOM 1188 OD1 ASP A 73 2.313 -9.822 -4.564 1.00 62.02 O ATOM 1189 OD2 ASP A 73 3.527 -8.617 -5.922 1.00 34.23 O ATOM 0 H ASP A 73 1.843 -6.053 -4.692 1.00 4.12 H new ATOM 0 HA ASP A 73 2.176 -7.018 -7.357 1.00 71.12 H new ATOM 0 HB2 ASP A 73 0.520 -7.987 -4.997 1.00 12.25 H new ATOM 0 HB3 ASP A 73 0.580 -8.829 -6.532 1.00 12.25 H new ATOM 1194 N ASN A 74 -0.810 -5.831 -6.450 1.00 22.43 N ATOM 1195 CA ASN A 74 -2.088 -5.263 -6.931 1.00 10.53 C ATOM 1196 C ASN A 74 -1.812 -4.094 -7.900 1.00 44.34 C ATOM 1197 O ASN A 74 -2.407 -4.016 -8.970 1.00 61.22 O ATOM 1198 CB ASN A 74 -2.976 -4.778 -5.742 1.00 55.02 C ATOM 1199 CG ASN A 74 -3.302 -5.861 -4.698 1.00 52.12 C ATOM 1200 OD1 ASN A 74 -3.354 -7.055 -4.996 1.00 41.12 O ATOM 1201 ND2 ASN A 74 -3.533 -5.448 -3.457 1.00 73.33 N ATOM 0 H ASN A 74 -0.717 -5.820 -5.434 1.00 22.43 H new ATOM 0 HA ASN A 74 -2.632 -6.047 -7.457 1.00 10.53 H new ATOM 0 HB2 ASN A 74 -2.470 -3.952 -5.242 1.00 55.02 H new ATOM 0 HB3 ASN A 74 -3.911 -4.385 -6.141 1.00 55.02 H new ATOM 0 HD21 ASN A 74 -3.759 -6.125 -2.728 1.00 73.33 H new ATOM 0 HD22 ASN A 74 -3.484 -4.454 -3.233 1.00 73.33 H new ATOM 1208 N GLU A 75 -0.834 -3.246 -7.515 1.00 21.30 N ATOM 1209 CA GLU A 75 -0.364 -2.099 -8.310 1.00 32.45 C ATOM 1210 C GLU A 75 0.151 -2.564 -9.686 1.00 44.03 C ATOM 1211 O GLU A 75 -0.373 -2.143 -10.706 1.00 1.53 O ATOM 1212 CB GLU A 75 0.760 -1.347 -7.531 1.00 5.44 C ATOM 1213 CG GLU A 75 1.345 -0.083 -8.206 1.00 1.20 C ATOM 1214 CD GLU A 75 0.368 1.096 -8.394 1.00 53.23 C ATOM 1215 OE1 GLU A 75 0.640 1.962 -9.251 1.00 44.11 O ATOM 1216 OE2 GLU A 75 -0.682 1.166 -7.707 1.00 33.55 O ATOM 0 H GLU A 75 -0.343 -3.344 -6.627 1.00 21.30 H new ATOM 0 HA GLU A 75 -1.199 -1.419 -8.476 1.00 32.45 H new ATOM 0 HB2 GLU A 75 0.366 -1.061 -6.556 1.00 5.44 H new ATOM 0 HB3 GLU A 75 1.577 -2.046 -7.352 1.00 5.44 H new ATOM 0 HG2 GLU A 75 2.191 0.263 -7.613 1.00 1.20 H new ATOM 0 HG3 GLU A 75 1.736 -0.365 -9.184 1.00 1.20 H new ATOM 1223 N GLN A 76 1.132 -3.492 -9.684 1.00 1.11 N ATOM 1224 CA GLN A 76 1.806 -3.944 -10.918 1.00 71.25 C ATOM 1225 C GLN A 76 0.838 -4.697 -11.857 1.00 51.22 C ATOM 1226 O GLN A 76 0.896 -4.511 -13.072 1.00 72.51 O ATOM 1227 CB GLN A 76 3.038 -4.827 -10.579 1.00 43.45 C ATOM 1228 CG GLN A 76 3.876 -5.246 -11.810 1.00 41.31 C ATOM 1229 CD GLN A 76 5.155 -6.031 -11.494 1.00 52.14 C ATOM 1230 OE1 GLN A 76 6.151 -5.928 -12.214 1.00 62.25 O ATOM 1231 NE2 GLN A 76 5.134 -6.857 -10.457 1.00 12.23 N ATOM 0 H GLN A 76 1.475 -3.944 -8.837 1.00 1.11 H new ATOM 0 HA GLN A 76 2.150 -3.055 -11.447 1.00 71.25 H new ATOM 0 HB2 GLN A 76 3.679 -4.285 -9.884 1.00 43.45 H new ATOM 0 HB3 GLN A 76 2.697 -5.725 -10.063 1.00 43.45 H new ATOM 0 HG2 GLN A 76 3.250 -5.851 -12.466 1.00 41.31 H new ATOM 0 HG3 GLN A 76 4.148 -4.349 -12.367 1.00 41.31 H new ATOM 0 HE21 GLN A 76 4.298 -6.925 -9.876 1.00 12.23 H new ATOM 0 HE22 GLN A 76 5.953 -7.424 -10.240 1.00 12.23 H new ATOM 1240 N LEU A 77 -0.057 -5.522 -11.281 1.00 4.41 N ATOM 1241 CA LEU A 77 -1.048 -6.307 -12.046 1.00 75.22 C ATOM 1242 C LEU A 77 -2.038 -5.374 -12.762 1.00 73.00 C ATOM 1243 O LEU A 77 -2.289 -5.536 -13.950 1.00 2.11 O ATOM 1244 CB LEU A 77 -1.813 -7.291 -11.113 1.00 63.23 C ATOM 1245 CG LEU A 77 -0.976 -8.446 -10.474 1.00 60.23 C ATOM 1246 CD1 LEU A 77 -1.840 -9.309 -9.525 1.00 13.31 C ATOM 1247 CD2 LEU A 77 -0.293 -9.303 -11.555 1.00 30.14 C ATOM 0 H LEU A 77 -0.114 -5.664 -10.273 1.00 4.41 H new ATOM 0 HA LEU A 77 -0.513 -6.890 -12.796 1.00 75.22 H new ATOM 0 HB2 LEU A 77 -2.266 -6.713 -10.307 1.00 63.23 H new ATOM 0 HB3 LEU A 77 -2.628 -7.737 -11.683 1.00 63.23 H new ATOM 0 HG LEU A 77 -0.189 -7.991 -9.872 1.00 60.23 H new ATOM 0 HD11 LEU A 77 -1.228 -10.103 -9.097 1.00 13.31 H new ATOM 0 HD12 LEU A 77 -2.236 -8.684 -8.724 1.00 13.31 H new ATOM 0 HD13 LEU A 77 -2.666 -9.749 -10.084 1.00 13.31 H new ATOM 0 HD21 LEU A 77 0.282 -10.098 -11.080 1.00 30.14 H new ATOM 0 HD22 LEU A 77 -1.051 -9.741 -12.204 1.00 30.14 H new ATOM 0 HD23 LEU A 77 0.374 -8.677 -12.147 1.00 30.14 H new ATOM 1259 N LEU A 78 -2.569 -4.387 -12.008 1.00 35.41 N ATOM 1260 CA LEU A 78 -3.518 -3.372 -12.522 1.00 1.44 C ATOM 1261 C LEU A 78 -2.910 -2.537 -13.631 1.00 70.52 C ATOM 1262 O LEU A 78 -3.379 -2.536 -14.769 1.00 73.21 O ATOM 1263 CB LEU A 78 -3.963 -2.419 -11.373 1.00 45.43 C ATOM 1264 CG LEU A 78 -4.992 -3.015 -10.405 1.00 23.30 C ATOM 1265 CD1 LEU A 78 -5.319 -2.048 -9.261 1.00 44.40 C ATOM 1266 CD2 LEU A 78 -6.240 -3.415 -11.191 1.00 24.13 C ATOM 0 H LEU A 78 -2.350 -4.270 -11.019 1.00 35.41 H new ATOM 0 HA LEU A 78 -4.375 -3.914 -12.922 1.00 1.44 H new ATOM 0 HB2 LEU A 78 -3.081 -2.121 -10.805 1.00 45.43 H new ATOM 0 HB3 LEU A 78 -4.381 -1.513 -11.813 1.00 45.43 H new ATOM 0 HG LEU A 78 -4.571 -3.904 -9.936 1.00 23.30 H new ATOM 0 HD11 LEU A 78 -6.052 -2.506 -8.596 1.00 44.40 H new ATOM 0 HD12 LEU A 78 -4.410 -1.825 -8.702 1.00 44.40 H new ATOM 0 HD13 LEU A 78 -5.728 -1.125 -9.671 1.00 44.40 H new ATOM 0 HD21 LEU A 78 -6.978 -3.840 -10.511 1.00 24.13 H new ATOM 0 HD22 LEU A 78 -6.660 -2.535 -11.679 1.00 24.13 H new ATOM 0 HD23 LEU A 78 -5.973 -4.155 -11.945 1.00 24.13 H new ATOM 1278 N LYS A 79 -1.850 -1.836 -13.255 1.00 4.42 N ATOM 1279 CA LYS A 79 -1.216 -0.837 -14.093 1.00 60.51 C ATOM 1280 C LYS A 79 -0.557 -1.504 -15.318 1.00 74.40 C ATOM 1281 O LYS A 79 -0.590 -0.959 -16.417 1.00 13.43 O ATOM 1282 CB LYS A 79 -0.184 -0.052 -13.250 1.00 24.11 C ATOM 1283 CG LYS A 79 -0.739 0.677 -12.006 1.00 53.04 C ATOM 1284 CD LYS A 79 -1.911 1.641 -12.305 1.00 12.40 C ATOM 1285 CE LYS A 79 -2.215 2.569 -11.110 1.00 73.25 C ATOM 1286 NZ LYS A 79 -2.459 1.821 -9.846 1.00 71.32 N ATOM 0 H LYS A 79 -1.402 -1.949 -12.346 1.00 4.42 H new ATOM 0 HA LYS A 79 -1.964 -0.138 -14.467 1.00 60.51 H new ATOM 0 HB2 LYS A 79 0.592 -0.745 -12.924 1.00 24.11 H new ATOM 0 HB3 LYS A 79 0.296 0.685 -13.894 1.00 24.11 H new ATOM 0 HG2 LYS A 79 -1.071 -0.066 -11.281 1.00 53.04 H new ATOM 0 HG3 LYS A 79 0.069 1.240 -11.538 1.00 53.04 H new ATOM 0 HD2 LYS A 79 -1.670 2.244 -13.180 1.00 12.40 H new ATOM 0 HD3 LYS A 79 -2.802 1.063 -12.551 1.00 12.40 H new ATOM 0 HE2 LYS A 79 -1.379 3.254 -10.966 1.00 73.25 H new ATOM 0 HE3 LYS A 79 -3.089 3.177 -11.341 1.00 73.25 H new ATOM 0 HZ1 LYS A 79 -3.396 2.072 -9.470 1.00 71.32 H new ATOM 0 HZ2 LYS A 79 -2.424 0.799 -10.035 1.00 71.32 H new ATOM 0 HZ3 LYS A 79 -1.728 2.069 -9.149 1.00 71.32 H new ATOM 1300 N GLY A 80 0.033 -2.689 -15.092 1.00 11.41 N ATOM 1301 CA GLY A 80 0.631 -3.501 -16.155 1.00 51.10 C ATOM 1302 C GLY A 80 -0.400 -4.087 -17.108 1.00 0.55 C ATOM 1303 O GLY A 80 -0.096 -4.331 -18.283 1.00 60.45 O ATOM 0 H GLY A 80 0.107 -3.108 -14.165 1.00 11.41 H new ATOM 0 HA2 GLY A 80 1.333 -2.889 -16.720 1.00 51.10 H new ATOM 0 HA3 GLY A 80 1.205 -4.312 -15.706 1.00 51.10 H new ATOM 1307 N LEU A 81 -1.618 -4.343 -16.587 1.00 25.51 N ATOM 1308 CA LEU A 81 -2.783 -4.728 -17.406 1.00 52.24 C ATOM 1309 C LEU A 81 -3.130 -3.572 -18.360 1.00 35.31 C ATOM 1310 O LEU A 81 -3.364 -3.794 -19.556 1.00 5.41 O ATOM 1311 CB LEU A 81 -3.975 -5.117 -16.462 1.00 0.34 C ATOM 1312 CG LEU A 81 -5.341 -5.604 -17.083 1.00 60.52 C ATOM 1313 CD1 LEU A 81 -6.154 -6.431 -16.053 1.00 63.30 C ATOM 1314 CD2 LEU A 81 -6.205 -4.426 -17.597 1.00 61.43 C ATOM 0 H LEU A 81 -1.820 -4.288 -15.589 1.00 25.51 H new ATOM 0 HA LEU A 81 -2.560 -5.601 -18.019 1.00 52.24 H new ATOM 0 HB2 LEU A 81 -3.620 -5.906 -15.799 1.00 0.34 H new ATOM 0 HB3 LEU A 81 -4.192 -4.250 -15.839 1.00 0.34 H new ATOM 0 HG LEU A 81 -5.087 -6.234 -17.936 1.00 60.52 H new ATOM 0 HD11 LEU A 81 -7.091 -6.755 -16.505 1.00 63.30 H new ATOM 0 HD12 LEU A 81 -5.576 -7.304 -15.750 1.00 63.30 H new ATOM 0 HD13 LEU A 81 -6.367 -5.816 -15.179 1.00 63.30 H new ATOM 0 HD21 LEU A 81 -7.135 -4.812 -18.015 1.00 61.43 H new ATOM 0 HD22 LEU A 81 -6.431 -3.753 -16.770 1.00 61.43 H new ATOM 0 HD23 LEU A 81 -5.658 -3.883 -18.368 1.00 61.43 H new ATOM 1326 N LEU A 82 -3.134 -2.337 -17.813 1.00 1.22 N ATOM 1327 CA LEU A 82 -3.478 -1.120 -18.575 1.00 32.23 C ATOM 1328 C LEU A 82 -2.416 -0.845 -19.664 1.00 64.21 C ATOM 1329 O LEU A 82 -2.704 -0.964 -20.861 1.00 45.51 O ATOM 1330 CB LEU A 82 -3.603 0.092 -17.603 1.00 23.50 C ATOM 1331 CG LEU A 82 -4.603 -0.075 -16.413 1.00 72.10 C ATOM 1332 CD1 LEU A 82 -4.550 1.142 -15.474 1.00 43.23 C ATOM 1333 CD2 LEU A 82 -6.042 -0.344 -16.903 1.00 40.52 C ATOM 0 H LEU A 82 -2.900 -2.158 -16.837 1.00 1.22 H new ATOM 0 HA LEU A 82 -4.437 -1.270 -19.072 1.00 32.23 H new ATOM 0 HB2 LEU A 82 -2.616 0.305 -17.193 1.00 23.50 H new ATOM 0 HB3 LEU A 82 -3.903 0.965 -18.182 1.00 23.50 H new ATOM 0 HG LEU A 82 -4.290 -0.952 -15.846 1.00 72.10 H new ATOM 0 HD11 LEU A 82 -5.255 1.000 -14.655 1.00 43.23 H new ATOM 0 HD12 LEU A 82 -3.543 1.247 -15.072 1.00 43.23 H new ATOM 0 HD13 LEU A 82 -4.815 2.042 -16.029 1.00 43.23 H new ATOM 0 HD21 LEU A 82 -6.704 -0.454 -16.044 1.00 40.52 H new ATOM 0 HD22 LEU A 82 -6.379 0.491 -17.517 1.00 40.52 H new ATOM 0 HD23 LEU A 82 -6.060 -1.260 -17.494 1.00 40.52 H new ATOM 1345 N GLN A 83 -1.178 -0.518 -19.229 1.00 33.31 N ATOM 1346 CA GLN A 83 -0.028 -0.230 -20.119 1.00 23.23 C ATOM 1347 C GLN A 83 1.300 -0.654 -19.442 1.00 22.33 C ATOM 1348 O GLN A 83 2.004 -1.541 -19.934 1.00 14.15 O ATOM 1349 CB GLN A 83 0.054 1.291 -20.487 1.00 41.32 C ATOM 1350 CG GLN A 83 -1.157 1.866 -21.261 1.00 65.13 C ATOM 1351 CD GLN A 83 -0.994 3.323 -21.719 1.00 23.33 C ATOM 1352 OE1 GLN A 83 -1.971 4.080 -21.792 1.00 62.24 O ATOM 1353 NE2 GLN A 83 0.217 3.726 -22.077 1.00 63.33 N ATOM 0 H GLN A 83 -0.946 -0.446 -18.238 1.00 33.31 H new ATOM 0 HA GLN A 83 -0.180 -0.803 -21.034 1.00 23.23 H new ATOM 0 HB2 GLN A 83 0.176 1.862 -19.566 1.00 41.32 H new ATOM 0 HB3 GLN A 83 0.952 1.453 -21.084 1.00 41.32 H new ATOM 0 HG2 GLN A 83 -1.340 1.243 -22.136 1.00 65.13 H new ATOM 0 HG3 GLN A 83 -2.042 1.795 -20.628 1.00 65.13 H new ATOM 0 HE21 GLN A 83 1.008 3.086 -22.009 1.00 63.33 H new ATOM 0 HE22 GLN A 83 0.358 4.676 -22.421 1.00 63.33 H new ATOM 1362 N GLN A 84 1.629 -0.009 -18.301 1.00 3.42 N ATOM 1363 CA GLN A 84 2.966 -0.129 -17.649 1.00 0.42 C ATOM 1364 C GLN A 84 2.830 -0.316 -16.123 1.00 72.21 C ATOM 1365 O GLN A 84 1.893 0.201 -15.540 1.00 32.02 O ATOM 1366 CB GLN A 84 3.817 1.133 -17.965 1.00 20.04 C ATOM 1367 CG GLN A 84 3.146 2.470 -17.581 1.00 40.25 C ATOM 1368 CD GLN A 84 4.036 3.700 -17.772 1.00 41.24 C ATOM 1369 OE1 GLN A 84 4.908 3.738 -18.640 1.00 43.53 O ATOM 1370 NE2 GLN A 84 3.812 4.722 -16.970 1.00 42.13 N ATOM 0 H GLN A 84 0.985 0.607 -17.804 1.00 3.42 H new ATOM 0 HA GLN A 84 3.466 -1.012 -18.048 1.00 0.42 H new ATOM 0 HB2 GLN A 84 4.769 1.055 -17.440 1.00 20.04 H new ATOM 0 HB3 GLN A 84 4.041 1.147 -19.032 1.00 20.04 H new ATOM 0 HG2 GLN A 84 2.242 2.594 -18.178 1.00 40.25 H new ATOM 0 HG3 GLN A 84 2.835 2.420 -16.538 1.00 40.25 H new ATOM 0 HE21 GLN A 84 3.083 4.662 -16.260 1.00 42.13 H new ATOM 0 HE22 GLN A 84 4.368 5.572 -17.060 1.00 42.13 H new ATOM 1379 N ARG A 85 3.821 -0.999 -15.501 1.00 32.44 N ATOM 1380 CA ARG A 85 3.805 -1.433 -14.068 1.00 50.24 C ATOM 1381 C ARG A 85 3.412 -0.309 -13.070 1.00 44.44 C ATOM 1382 O ARG A 85 2.824 -0.583 -12.014 1.00 44.41 O ATOM 1383 CB ARG A 85 5.203 -2.000 -13.698 1.00 32.23 C ATOM 1384 CG ARG A 85 6.349 -0.964 -13.763 1.00 52.12 C ATOM 1385 CD ARG A 85 7.733 -1.613 -13.801 1.00 22.02 C ATOM 1386 NE ARG A 85 7.902 -2.430 -15.017 1.00 24.15 N ATOM 1387 CZ ARG A 85 8.765 -2.183 -16.015 1.00 62.45 C ATOM 1388 NH1 ARG A 85 9.588 -1.131 -15.973 1.00 24.45 N ATOM 1389 NH2 ARG A 85 8.771 -2.982 -17.071 1.00 72.54 N ATOM 0 H ARG A 85 4.676 -1.273 -15.985 1.00 32.44 H new ATOM 0 HA ARG A 85 3.031 -2.196 -13.978 1.00 50.24 H new ATOM 0 HB2 ARG A 85 5.159 -2.413 -12.690 1.00 32.23 H new ATOM 0 HB3 ARG A 85 5.437 -2.825 -14.371 1.00 32.23 H new ATOM 0 HG2 ARG A 85 6.220 -0.342 -14.648 1.00 52.12 H new ATOM 0 HG3 ARG A 85 6.286 -0.304 -12.898 1.00 52.12 H new ATOM 0 HD2 ARG A 85 8.501 -0.841 -13.768 1.00 22.02 H new ATOM 0 HD3 ARG A 85 7.870 -2.237 -12.918 1.00 22.02 H new ATOM 0 HE ARG A 85 7.311 -3.256 -15.108 1.00 24.15 H new ATOM 0 HH11 ARG A 85 9.567 -0.499 -15.173 1.00 24.45 H new ATOM 0 HH12 ARG A 85 10.237 -0.960 -16.741 1.00 24.45 H new ATOM 0 HH21 ARG A 85 8.126 -3.771 -17.117 1.00 72.54 H new ATOM 0 HH22 ARG A 85 9.420 -2.808 -17.838 1.00 72.54 H new ATOM 1403 N LEU A 86 3.763 0.938 -13.420 1.00 11.22 N ATOM 1404 CA LEU A 86 3.393 2.152 -12.675 1.00 4.30 C ATOM 1405 C LEU A 86 2.727 3.122 -13.666 1.00 22.24 C ATOM 1406 O LEU A 86 3.373 4.016 -14.213 1.00 70.03 O ATOM 1407 CB LEU A 86 4.656 2.766 -12.001 1.00 43.13 C ATOM 1408 CG LEU A 86 5.334 1.897 -10.889 1.00 3.41 C ATOM 1409 CD1 LEU A 86 6.704 2.472 -10.475 1.00 71.23 C ATOM 1410 CD2 LEU A 86 4.399 1.743 -9.665 1.00 62.51 C ATOM 0 H LEU A 86 4.325 1.135 -14.248 1.00 11.22 H new ATOM 0 HA LEU A 86 2.690 1.929 -11.873 1.00 4.30 H new ATOM 0 HB2 LEU A 86 5.395 2.968 -12.777 1.00 43.13 H new ATOM 0 HB3 LEU A 86 4.380 3.726 -11.565 1.00 43.13 H new ATOM 0 HG LEU A 86 5.512 0.906 -11.306 1.00 3.41 H new ATOM 0 HD11 LEU A 86 7.144 1.842 -9.702 1.00 71.23 H new ATOM 0 HD12 LEU A 86 7.365 2.498 -11.342 1.00 71.23 H new ATOM 0 HD13 LEU A 86 6.573 3.483 -10.089 1.00 71.23 H new ATOM 0 HD21 LEU A 86 4.891 1.136 -8.905 1.00 62.51 H new ATOM 0 HD22 LEU A 86 4.174 2.727 -9.253 1.00 62.51 H new ATOM 0 HD23 LEU A 86 3.473 1.258 -9.973 1.00 62.51 H new ATOM 1422 N ASP A 87 1.444 2.857 -13.953 1.00 43.44 N ATOM 1423 CA ASP A 87 0.643 3.584 -14.956 1.00 4.41 C ATOM 1424 C ASP A 87 -0.158 4.703 -14.291 1.00 14.11 C ATOM 1425 O ASP A 87 -0.515 4.620 -13.107 1.00 24.11 O ATOM 1426 CB ASP A 87 -0.300 2.590 -15.694 1.00 23.12 C ATOM 1427 CG ASP A 87 -1.133 3.209 -16.830 1.00 22.11 C ATOM 1428 OD1 ASP A 87 -0.618 3.313 -17.963 1.00 74.22 O ATOM 1429 OD2 ASP A 87 -2.300 3.592 -16.596 1.00 25.44 O ATOM 0 H ASP A 87 0.921 2.116 -13.486 1.00 43.44 H new ATOM 0 HA ASP A 87 1.312 4.039 -15.686 1.00 4.41 H new ATOM 0 HB2 ASP A 87 0.301 1.779 -16.104 1.00 23.12 H new ATOM 0 HB3 ASP A 87 -0.979 2.147 -14.965 1.00 23.12 H new ATOM 1434 N GLU A 88 -0.437 5.746 -15.066 1.00 44.25 N ATOM 1435 CA GLU A 88 -1.106 6.948 -14.585 1.00 31.03 C ATOM 1436 C GLU A 88 -2.619 6.845 -14.848 1.00 11.15 C ATOM 1437 O GLU A 88 -3.077 7.111 -15.971 1.00 0.13 O ATOM 1438 CB GLU A 88 -0.508 8.219 -15.274 1.00 1.24 C ATOM 1439 CG GLU A 88 0.997 8.503 -14.994 1.00 62.31 C ATOM 1440 CD GLU A 88 1.968 7.463 -15.593 1.00 2.43 C ATOM 1441 OE1 GLU A 88 2.000 7.320 -16.831 1.00 64.25 O ATOM 1442 OE2 GLU A 88 2.712 6.807 -14.840 1.00 51.12 O ATOM 0 H GLU A 88 -0.202 5.780 -16.058 1.00 44.25 H new ATOM 0 HA GLU A 88 -0.944 7.039 -13.511 1.00 31.03 H new ATOM 0 HB2 GLU A 88 -0.645 8.122 -16.351 1.00 1.24 H new ATOM 0 HB3 GLU A 88 -1.086 9.086 -14.956 1.00 1.24 H new ATOM 0 HG2 GLU A 88 1.248 9.486 -15.391 1.00 62.31 H new ATOM 0 HG3 GLU A 88 1.151 8.546 -13.916 1.00 62.31 H new ATOM 1449 N LEU A 89 -3.385 6.396 -13.828 1.00 1.14 N ATOM 1450 CA LEU A 89 -4.858 6.535 -13.819 1.00 70.30 C ATOM 1451 C LEU A 89 -5.181 8.049 -13.776 1.00 71.11 C ATOM 1452 O LEU A 89 -5.695 8.616 -14.747 1.00 60.24 O ATOM 1453 CB LEU A 89 -5.495 5.800 -12.605 1.00 53.21 C ATOM 1454 CG LEU A 89 -5.440 4.241 -12.574 1.00 31.52 C ATOM 1455 CD1 LEU A 89 -5.803 3.711 -11.167 1.00 40.22 C ATOM 1456 CD2 LEU A 89 -6.379 3.634 -13.636 1.00 41.02 C ATOM 0 H LEU A 89 -3.007 5.934 -13.001 1.00 1.14 H new ATOM 0 HA LEU A 89 -5.279 6.076 -14.714 1.00 70.30 H new ATOM 0 HB2 LEU A 89 -5.010 6.168 -11.701 1.00 53.21 H new ATOM 0 HB3 LEU A 89 -6.542 6.097 -12.548 1.00 53.21 H new ATOM 0 HG LEU A 89 -4.420 3.936 -12.807 1.00 31.52 H new ATOM 0 HD11 LEU A 89 -5.759 2.622 -11.166 1.00 40.22 H new ATOM 0 HD12 LEU A 89 -5.095 4.103 -10.437 1.00 40.22 H new ATOM 0 HD13 LEU A 89 -6.811 4.034 -10.906 1.00 40.22 H new ATOM 0 HD21 LEU A 89 -6.322 2.546 -13.593 1.00 41.02 H new ATOM 0 HD22 LEU A 89 -7.403 3.951 -13.440 1.00 41.02 H new ATOM 0 HD23 LEU A 89 -6.077 3.975 -14.626 1.00 41.02 H new ATOM 1468 N SER A 90 -4.822 8.692 -12.651 1.00 70.43 N ATOM 1469 CA SER A 90 -4.787 10.165 -12.505 1.00 21.53 C ATOM 1470 C SER A 90 -3.398 10.617 -11.999 1.00 14.21 C ATOM 1471 O SER A 90 -3.167 11.818 -11.800 1.00 55.53 O ATOM 1472 CB SER A 90 -5.896 10.639 -11.539 1.00 1.40 C ATOM 1473 OG SER A 90 -7.173 10.214 -11.980 1.00 60.52 O ATOM 0 H SER A 90 -4.543 8.199 -11.803 1.00 70.43 H new ATOM 0 HA SER A 90 -4.967 10.617 -13.480 1.00 21.53 H new ATOM 0 HB2 SER A 90 -5.704 10.247 -10.540 1.00 1.40 H new ATOM 0 HB3 SER A 90 -5.877 11.726 -11.464 1.00 1.40 H new ATOM 0 HG SER A 90 -7.384 9.345 -11.580 1.00 60.52 H new ATOM 1479 N SER A 91 -2.491 9.627 -11.791 1.00 1.44 N ATOM 1480 CA SER A 91 -1.095 9.829 -11.334 1.00 14.51 C ATOM 1481 C SER A 91 -1.027 10.337 -9.867 1.00 73.54 C ATOM 1482 O SER A 91 -2.057 10.480 -9.197 1.00 34.20 O ATOM 1483 CB SER A 91 -0.309 10.762 -12.311 1.00 75.02 C ATOM 1484 OG SER A 91 1.086 10.761 -12.034 1.00 12.51 O ATOM 0 H SER A 91 -2.718 8.644 -11.941 1.00 1.44 H new ATOM 0 HA SER A 91 -0.607 8.855 -11.347 1.00 14.51 H new ATOM 0 HB2 SER A 91 -0.476 10.436 -13.338 1.00 75.02 H new ATOM 0 HB3 SER A 91 -0.695 11.778 -12.232 1.00 75.02 H new ATOM 0 HG SER A 91 1.545 11.354 -12.665 1.00 12.51 H new ATOM 1490 N LEU A 92 0.199 10.558 -9.363 1.00 30.21 N ATOM 1491 CA LEU A 92 0.447 11.118 -8.018 1.00 12.51 C ATOM 1492 C LEU A 92 1.317 12.378 -8.137 1.00 11.20 C ATOM 1493 O LEU A 92 0.829 13.502 -7.974 1.00 20.34 O ATOM 1494 CB LEU A 92 1.109 10.050 -7.096 1.00 24.12 C ATOM 1495 CG LEU A 92 0.156 8.967 -6.510 1.00 71.33 C ATOM 1496 CD1 LEU A 92 0.939 7.838 -5.801 1.00 5.22 C ATOM 1497 CD2 LEU A 92 -0.859 9.621 -5.558 1.00 11.33 C ATOM 0 H LEU A 92 1.054 10.352 -9.879 1.00 30.21 H new ATOM 0 HA LEU A 92 -0.502 11.399 -7.562 1.00 12.51 H new ATOM 0 HB2 LEU A 92 1.894 9.547 -7.661 1.00 24.12 H new ATOM 0 HB3 LEU A 92 1.594 10.565 -6.267 1.00 24.12 H new ATOM 0 HG LEU A 92 -0.384 8.506 -7.337 1.00 71.33 H new ATOM 0 HD11 LEU A 92 0.239 7.102 -5.406 1.00 5.22 H new ATOM 0 HD12 LEU A 92 1.608 7.356 -6.514 1.00 5.22 H new ATOM 0 HD13 LEU A 92 1.523 8.259 -4.983 1.00 5.22 H new ATOM 0 HD21 LEU A 92 -1.522 8.857 -5.152 1.00 11.33 H new ATOM 0 HD22 LEU A 92 -0.329 10.112 -4.742 1.00 11.33 H new ATOM 0 HD23 LEU A 92 -1.447 10.359 -6.104 1.00 11.33 H new ATOM 1509 N ILE A 93 2.609 12.171 -8.451 1.00 55.24 N ATOM 1510 CA ILE A 93 3.618 13.248 -8.565 1.00 62.21 C ATOM 1511 C ILE A 93 4.199 13.243 -9.987 1.00 12.31 C ATOM 1512 O ILE A 93 4.319 12.179 -10.608 1.00 70.11 O ATOM 1513 CB ILE A 93 4.785 13.053 -7.517 1.00 51.01 C ATOM 1514 CG1 ILE A 93 4.207 12.805 -6.090 1.00 4.15 C ATOM 1515 CG2 ILE A 93 5.757 14.264 -7.510 1.00 64.41 C ATOM 1516 CD1 ILE A 93 5.244 12.507 -5.020 1.00 11.44 C ATOM 0 H ILE A 93 2.989 11.243 -8.635 1.00 55.24 H new ATOM 0 HA ILE A 93 3.132 14.202 -8.358 1.00 62.21 H new ATOM 0 HB ILE A 93 5.355 12.175 -7.820 1.00 51.01 H new ATOM 0 HG12 ILE A 93 3.637 13.683 -5.788 1.00 4.15 H new ATOM 0 HG13 ILE A 93 3.506 11.971 -6.138 1.00 4.15 H new ATOM 0 HG21 ILE A 93 6.546 14.093 -6.777 1.00 64.41 H new ATOM 0 HG22 ILE A 93 6.200 14.381 -8.499 1.00 64.41 H new ATOM 0 HG23 ILE A 93 5.209 15.169 -7.249 1.00 64.41 H new ATOM 0 HD11 ILE A 93 4.745 12.349 -4.064 1.00 11.44 H new ATOM 0 HD12 ILE A 93 5.800 11.610 -5.292 1.00 11.44 H new ATOM 0 HD13 ILE A 93 5.932 13.348 -4.936 1.00 11.44 H new ATOM 1528 N GLY A 94 4.542 14.438 -10.497 1.00 1.12 N ATOM 1529 CA GLY A 94 5.161 14.585 -11.805 1.00 11.40 C ATOM 1530 C GLY A 94 6.544 13.938 -11.876 1.00 21.30 C ATOM 1531 O GLY A 94 7.409 14.230 -11.035 1.00 23.33 O ATOM 0 H GLY A 94 4.394 15.321 -10.008 1.00 1.12 H new ATOM 0 HA2 GLY A 94 4.515 14.138 -12.561 1.00 11.40 H new ATOM 0 HA3 GLY A 94 5.247 15.645 -12.045 1.00 11.40 H new ATOM 1535 N GLN A 95 6.733 13.058 -12.883 1.00 31.14 N ATOM 1536 CA GLN A 95 7.991 12.331 -13.149 1.00 3.25 C ATOM 1537 C GLN A 95 8.322 11.333 -12.015 1.00 71.44 C ATOM 1538 O GLN A 95 7.945 10.154 -12.086 1.00 22.11 O ATOM 1539 CB GLN A 95 9.166 13.320 -13.433 1.00 41.40 C ATOM 1540 CG GLN A 95 8.926 14.283 -14.616 1.00 41.32 C ATOM 1541 CD GLN A 95 9.981 15.390 -14.736 1.00 22.13 C ATOM 1542 OE1 GLN A 95 10.316 15.829 -15.839 1.00 3.22 O ATOM 1543 NE2 GLN A 95 10.490 15.895 -13.606 1.00 64.03 N ATOM 0 H GLN A 95 5.996 12.829 -13.550 1.00 31.14 H new ATOM 0 HA GLN A 95 7.849 11.738 -14.053 1.00 3.25 H new ATOM 0 HB2 GLN A 95 9.353 13.909 -12.535 1.00 41.40 H new ATOM 0 HB3 GLN A 95 10.070 12.743 -13.629 1.00 41.40 H new ATOM 0 HG2 GLN A 95 8.908 13.709 -15.542 1.00 41.32 H new ATOM 0 HG3 GLN A 95 7.943 14.741 -14.506 1.00 41.32 H new ATOM 0 HE21 GLN A 95 10.200 15.519 -12.703 1.00 64.03 H new ATOM 0 HE22 GLN A 95 11.167 16.656 -13.647 1.00 64.03 H new ATOM 1552 N SER A 96 8.990 11.816 -10.958 1.00 4.41 N ATOM 1553 CA SER A 96 9.417 10.991 -9.823 1.00 11.34 C ATOM 1554 C SER A 96 8.340 11.020 -8.731 1.00 4.12 C ATOM 1555 O SER A 96 8.184 12.022 -8.027 1.00 44.12 O ATOM 1556 CB SER A 96 10.770 11.505 -9.275 1.00 31.40 C ATOM 1557 OG SER A 96 11.757 11.564 -10.296 1.00 61.02 O ATOM 0 H SER A 96 9.250 12.798 -10.868 1.00 4.41 H new ATOM 0 HA SER A 96 9.551 9.961 -10.152 1.00 11.34 H new ATOM 0 HB2 SER A 96 10.635 12.495 -8.840 1.00 31.40 H new ATOM 0 HB3 SER A 96 11.112 10.849 -8.474 1.00 31.40 H new ATOM 0 HG SER A 96 12.599 11.894 -9.918 1.00 61.02 H new ATOM 1563 N THR A 97 7.564 9.939 -8.644 1.00 4.21 N ATOM 1564 CA THR A 97 6.583 9.721 -7.576 1.00 30.31 C ATOM 1565 C THR A 97 7.227 8.906 -6.426 1.00 30.44 C ATOM 1566 O THR A 97 8.202 8.161 -6.643 1.00 40.25 O ATOM 1567 CB THR A 97 5.323 8.992 -8.146 1.00 41.51 C ATOM 1568 OG1 THR A 97 4.698 9.806 -9.148 1.00 51.34 O ATOM 1569 CG2 THR A 97 4.280 8.626 -7.066 1.00 75.13 C ATOM 0 H THR A 97 7.598 9.178 -9.323 1.00 4.21 H new ATOM 0 HA THR A 97 6.265 10.684 -7.176 1.00 30.31 H new ATOM 0 HB THR A 97 5.681 8.056 -8.575 1.00 41.51 H new ATOM 0 HG1 THR A 97 3.910 9.342 -9.502 1.00 51.34 H new ATOM 0 HG21 THR A 97 3.433 8.123 -7.533 1.00 75.13 H new ATOM 0 HG22 THR A 97 4.735 7.963 -6.331 1.00 75.13 H new ATOM 0 HG23 THR A 97 3.935 9.534 -6.571 1.00 75.13 H new ATOM 1577 N ARG A 98 6.660 9.061 -5.211 1.00 3.45 N ATOM 1578 CA ARG A 98 7.041 8.319 -3.989 1.00 23.15 C ATOM 1579 C ARG A 98 6.910 6.777 -4.148 1.00 54.40 C ATOM 1580 O ARG A 98 7.383 6.053 -3.290 1.00 34.35 O ATOM 1581 CB ARG A 98 6.164 8.790 -2.797 1.00 64.11 C ATOM 1582 CG ARG A 98 6.380 10.231 -2.296 1.00 60.21 C ATOM 1583 CD ARG A 98 7.718 10.417 -1.559 1.00 40.43 C ATOM 1584 NE ARG A 98 7.808 11.751 -0.941 1.00 72.21 N ATOM 1585 CZ ARG A 98 8.656 12.100 0.036 1.00 51.04 C ATOM 1586 NH1 ARG A 98 9.521 11.220 0.546 1.00 54.35 N ATOM 1587 NH2 ARG A 98 8.613 13.340 0.509 1.00 13.23 N ATOM 0 H ARG A 98 5.903 9.725 -5.048 1.00 3.45 H new ATOM 0 HA ARG A 98 8.093 8.535 -3.803 1.00 23.15 H new ATOM 0 HB2 ARG A 98 5.118 8.684 -3.084 1.00 64.11 H new ATOM 0 HB3 ARG A 98 6.336 8.112 -1.961 1.00 64.11 H new ATOM 0 HG2 ARG A 98 6.341 10.914 -3.144 1.00 60.21 H new ATOM 0 HG3 ARG A 98 5.563 10.504 -1.628 1.00 60.21 H new ATOM 0 HD2 ARG A 98 7.822 9.650 -0.791 1.00 40.43 H new ATOM 0 HD3 ARG A 98 8.543 10.282 -2.259 1.00 40.43 H new ATOM 0 HE ARG A 98 7.171 12.469 -1.286 1.00 72.21 H new ATOM 0 HH11 ARG A 98 9.544 10.264 0.192 1.00 54.35 H new ATOM 0 HH12 ARG A 98 10.159 11.504 1.289 1.00 54.35 H new ATOM 0 HH21 ARG A 98 7.942 14.008 0.129 1.00 13.23 H new ATOM 0 HH22 ARG A 98 9.250 13.625 1.253 1.00 13.23 H new ATOM 1601 N GLN A 99 6.230 6.293 -5.219 1.00 55.31 N ATOM 1602 CA GLN A 99 6.089 4.844 -5.541 1.00 13.42 C ATOM 1603 C GLN A 99 7.476 4.144 -5.719 1.00 13.35 C ATOM 1604 O GLN A 99 7.638 2.947 -5.402 1.00 33.41 O ATOM 1605 CB GLN A 99 5.200 4.670 -6.810 1.00 2.34 C ATOM 1606 CG GLN A 99 5.756 5.359 -8.078 1.00 71.15 C ATOM 1607 CD GLN A 99 4.743 5.513 -9.225 1.00 2.34 C ATOM 1608 OE1 GLN A 99 3.535 5.607 -9.012 1.00 31.11 O ATOM 1609 NE2 GLN A 99 5.237 5.598 -10.455 1.00 24.14 N ATOM 0 H GLN A 99 5.759 6.900 -5.890 1.00 55.31 H new ATOM 0 HA GLN A 99 5.602 4.355 -4.698 1.00 13.42 H new ATOM 0 HB2 GLN A 99 5.081 3.606 -7.012 1.00 2.34 H new ATOM 0 HB3 GLN A 99 4.207 5.068 -6.601 1.00 2.34 H new ATOM 0 HG2 GLN A 99 6.127 6.347 -7.805 1.00 71.15 H new ATOM 0 HG3 GLN A 99 6.610 4.787 -8.441 1.00 71.15 H new ATOM 0 HE21 GLN A 99 6.242 5.517 -10.608 1.00 24.14 H new ATOM 0 HE22 GLN A 99 4.611 5.744 -11.247 1.00 24.14 H new ATOM 1618 N LYS A 100 8.483 4.919 -6.178 1.00 50.31 N ATOM 1619 CA LYS A 100 9.881 4.449 -6.272 1.00 55.25 C ATOM 1620 C LYS A 100 10.444 4.251 -4.846 1.00 1.33 C ATOM 1621 O LYS A 100 11.023 3.211 -4.526 1.00 2.13 O ATOM 1622 CB LYS A 100 10.738 5.466 -7.083 1.00 71.53 C ATOM 1623 CG LYS A 100 12.162 4.968 -7.445 1.00 52.54 C ATOM 1624 CD LYS A 100 12.963 5.972 -8.310 1.00 44.42 C ATOM 1625 CE LYS A 100 13.317 7.277 -7.569 1.00 43.13 C ATOM 1626 NZ LYS A 100 14.211 7.027 -6.402 1.00 44.23 N ATOM 0 H LYS A 100 8.351 5.881 -6.491 1.00 50.31 H new ATOM 0 HA LYS A 100 9.917 3.495 -6.799 1.00 55.25 H new ATOM 0 HB2 LYS A 100 10.209 5.714 -8.003 1.00 71.53 H new ATOM 0 HB3 LYS A 100 10.825 6.388 -6.508 1.00 71.53 H new ATOM 0 HG2 LYS A 100 12.714 4.770 -6.526 1.00 52.54 H new ATOM 0 HG3 LYS A 100 12.083 4.021 -7.980 1.00 52.54 H new ATOM 0 HD2 LYS A 100 13.883 5.495 -8.648 1.00 44.42 H new ATOM 0 HD3 LYS A 100 12.384 6.215 -9.201 1.00 44.42 H new ATOM 0 HE2 LYS A 100 13.804 7.966 -8.259 1.00 43.13 H new ATOM 0 HE3 LYS A 100 12.402 7.761 -7.228 1.00 43.13 H new ATOM 0 HZ1 LYS A 100 14.535 7.935 -6.012 1.00 44.23 H new ATOM 0 HZ2 LYS A 100 13.689 6.503 -5.671 1.00 44.23 H new ATOM 0 HZ3 LYS A 100 15.033 6.468 -6.708 1.00 44.23 H new ATOM 1640 N SER A 101 10.200 5.262 -3.986 1.00 22.22 N ATOM 1641 CA SER A 101 10.550 5.237 -2.549 1.00 21.35 C ATOM 1642 C SER A 101 9.632 4.281 -1.746 1.00 64.23 C ATOM 1643 O SER A 101 9.913 3.998 -0.594 1.00 70.30 O ATOM 1644 CB SER A 101 10.477 6.669 -1.960 1.00 34.12 C ATOM 1645 OG SER A 101 11.366 7.546 -2.628 1.00 5.31 O ATOM 0 H SER A 101 9.748 6.130 -4.273 1.00 22.22 H new ATOM 0 HA SER A 101 11.569 4.860 -2.464 1.00 21.35 H new ATOM 0 HB2 SER A 101 9.458 7.047 -2.044 1.00 34.12 H new ATOM 0 HB3 SER A 101 10.720 6.641 -0.898 1.00 34.12 H new ATOM 0 HG SER A 101 11.297 8.442 -2.237 1.00 5.31 H new ATOM 1651 N LEU A 102 8.522 3.829 -2.362 1.00 23.31 N ATOM 1652 CA LEU A 102 7.563 2.863 -1.774 1.00 52.34 C ATOM 1653 C LEU A 102 8.165 1.448 -1.841 1.00 52.31 C ATOM 1654 O LEU A 102 8.173 0.698 -0.848 1.00 1.20 O ATOM 1655 CB LEU A 102 6.245 2.924 -2.591 1.00 10.23 C ATOM 1656 CG LEU A 102 5.003 2.142 -2.068 1.00 34.30 C ATOM 1657 CD1 LEU A 102 4.415 2.805 -0.817 1.00 33.05 C ATOM 1658 CD2 LEU A 102 3.928 2.009 -3.169 1.00 21.31 C ATOM 0 H LEU A 102 8.259 4.129 -3.301 1.00 23.31 H new ATOM 0 HA LEU A 102 7.360 3.109 -0.732 1.00 52.34 H new ATOM 0 HB2 LEU A 102 5.961 3.972 -2.682 1.00 10.23 H new ATOM 0 HB3 LEU A 102 6.463 2.564 -3.597 1.00 10.23 H new ATOM 0 HG LEU A 102 5.336 1.141 -1.794 1.00 34.30 H new ATOM 0 HD11 LEU A 102 3.550 2.236 -0.476 1.00 33.05 H new ATOM 0 HD12 LEU A 102 5.168 2.827 -0.029 1.00 33.05 H new ATOM 0 HD13 LEU A 102 4.109 3.824 -1.055 1.00 33.05 H new ATOM 0 HD21 LEU A 102 3.072 1.459 -2.777 1.00 21.31 H new ATOM 0 HD22 LEU A 102 3.607 3.001 -3.486 1.00 21.31 H new ATOM 0 HD23 LEU A 102 4.345 1.472 -4.021 1.00 21.31 H new ATOM 1670 N ASN A 103 8.675 1.109 -3.044 1.00 34.33 N ATOM 1671 CA ASN A 103 9.423 -0.143 -3.287 1.00 30.43 C ATOM 1672 C ASN A 103 10.758 -0.143 -2.493 1.00 72.25 C ATOM 1673 O ASN A 103 11.185 -1.178 -1.949 1.00 10.41 O ATOM 1674 CB ASN A 103 9.665 -0.318 -4.810 1.00 41.41 C ATOM 1675 CG ASN A 103 10.399 -1.617 -5.172 1.00 21.15 C ATOM 1676 OD1 ASN A 103 9.775 -2.667 -5.354 1.00 12.52 O ATOM 1677 ND2 ASN A 103 11.724 -1.566 -5.276 1.00 1.32 N ATOM 0 H ASN A 103 8.580 1.695 -3.873 1.00 34.33 H new ATOM 0 HA ASN A 103 8.835 -0.990 -2.934 1.00 30.43 H new ATOM 0 HB2 ASN A 103 8.705 -0.297 -5.326 1.00 41.41 H new ATOM 0 HB3 ASN A 103 10.243 0.530 -5.177 1.00 41.41 H new ATOM 0 HD21 ASN A 103 12.250 -2.408 -5.511 1.00 1.32 H new ATOM 0 HD22 ASN A 103 12.214 -0.685 -5.120 1.00 1.32 H new ATOM 1684 N ASN A 104 11.393 1.041 -2.423 1.00 1.50 N ATOM 1685 CA ASN A 104 12.628 1.248 -1.638 1.00 22.03 C ATOM 1686 C ASN A 104 12.335 1.188 -0.121 1.00 14.45 C ATOM 1687 O ASN A 104 13.183 0.729 0.650 1.00 52.23 O ATOM 1688 CB ASN A 104 13.293 2.590 -2.028 1.00 63.41 C ATOM 1689 CG ASN A 104 14.659 2.815 -1.363 1.00 62.34 C ATOM 1690 OD1 ASN A 104 14.752 3.430 -0.303 1.00 20.31 O ATOM 1691 ND2 ASN A 104 15.724 2.292 -1.961 1.00 20.31 N ATOM 0 H ASN A 104 11.068 1.879 -2.906 1.00 1.50 H new ATOM 0 HA ASN A 104 13.325 0.443 -1.870 1.00 22.03 H new ATOM 0 HB2 ASN A 104 13.415 2.624 -3.111 1.00 63.41 H new ATOM 0 HB3 ASN A 104 12.627 3.409 -1.756 1.00 63.41 H new ATOM 0 HD21 ASN A 104 16.647 2.396 -1.541 1.00 20.31 H new ATOM 0 HD22 ASN A 104 15.618 1.786 -2.840 1.00 20.31 H new ATOM 1698 N ALA A 105 11.120 1.638 0.291 1.00 71.03 N ATOM 1699 CA ALA A 105 10.653 1.566 1.694 1.00 25.51 C ATOM 1700 C ALA A 105 10.529 0.110 2.133 1.00 50.12 C ATOM 1701 O ALA A 105 10.879 -0.238 3.267 1.00 71.42 O ATOM 1702 CB ALA A 105 9.311 2.283 1.878 1.00 62.55 C ATOM 0 H ALA A 105 10.441 2.060 -0.342 1.00 71.03 H new ATOM 0 HA ALA A 105 11.392 2.071 2.316 1.00 25.51 H new ATOM 0 HB1 ALA A 105 8.999 2.210 2.920 1.00 62.55 H new ATOM 0 HB2 ALA A 105 9.419 3.333 1.604 1.00 62.55 H new ATOM 0 HB3 ALA A 105 8.559 1.817 1.241 1.00 62.55 H new ATOM 1708 N TYR A 106 10.018 -0.729 1.202 1.00 64.34 N ATOM 1709 CA TYR A 106 9.981 -2.187 1.376 1.00 2.55 C ATOM 1710 C TYR A 106 11.409 -2.711 1.616 1.00 25.12 C ATOM 1711 O TYR A 106 11.627 -3.449 2.563 1.00 11.23 O ATOM 1712 CB TYR A 106 9.358 -2.891 0.126 1.00 3.30 C ATOM 1713 CG TYR A 106 9.061 -4.413 0.288 1.00 31.30 C ATOM 1714 CD1 TYR A 106 10.075 -5.362 0.521 1.00 53.11 C ATOM 1715 CD2 TYR A 106 7.767 -4.899 0.226 1.00 52.43 C ATOM 1716 CE1 TYR A 106 9.794 -6.703 0.678 1.00 15.22 C ATOM 1717 CE2 TYR A 106 7.492 -6.236 0.380 1.00 44.35 C ATOM 1718 CZ TYR A 106 8.501 -7.129 0.616 1.00 43.34 C ATOM 1719 OH TYR A 106 8.211 -8.466 0.789 1.00 25.52 O ATOM 0 H TYR A 106 9.624 -0.410 0.317 1.00 64.34 H new ATOM 0 HA TYR A 106 9.354 -2.416 2.238 1.00 2.55 H new ATOM 0 HB2 TYR A 106 8.428 -2.383 -0.129 1.00 3.30 H new ATOM 0 HB3 TYR A 106 10.035 -2.759 -0.718 1.00 3.30 H new ATOM 0 HD1 TYR A 106 11.101 -5.030 0.578 1.00 53.11 H new ATOM 0 HD2 TYR A 106 6.953 -4.210 0.052 1.00 52.43 H new ATOM 0 HE1 TYR A 106 10.592 -7.410 0.849 1.00 15.22 H new ATOM 0 HE2 TYR A 106 6.472 -6.585 0.314 1.00 44.35 H new ATOM 0 HH TYR A 106 7.319 -8.559 1.184 1.00 25.52 H new ATOM 1729 N GLY A 107 12.346 -2.334 0.716 1.00 42.51 N ATOM 1730 CA GLY A 107 13.742 -2.799 0.771 1.00 3.10 C ATOM 1731 C GLY A 107 14.428 -2.571 2.124 1.00 35.54 C ATOM 1732 O GLY A 107 14.916 -3.523 2.759 1.00 33.34 O ATOM 0 H GLY A 107 12.153 -1.703 -0.062 1.00 42.51 H new ATOM 0 HA2 GLY A 107 13.768 -3.863 0.538 1.00 3.10 H new ATOM 0 HA3 GLY A 107 14.314 -2.289 -0.004 1.00 3.10 H new ATOM 1736 N ARG A 108 14.417 -1.306 2.581 1.00 72.40 N ATOM 1737 CA ARG A 108 15.009 -0.906 3.872 1.00 24.22 C ATOM 1738 C ARG A 108 14.244 -1.516 5.072 1.00 22.44 C ATOM 1739 O ARG A 108 14.860 -1.776 6.114 1.00 41.31 O ATOM 1740 CB ARG A 108 15.089 0.646 3.990 1.00 51.35 C ATOM 1741 CG ARG A 108 13.755 1.387 3.740 1.00 74.40 C ATOM 1742 CD ARG A 108 13.891 2.918 3.746 1.00 50.31 C ATOM 1743 NE ARG A 108 14.773 3.412 2.681 1.00 42.42 N ATOM 1744 CZ ARG A 108 15.357 4.621 2.661 1.00 42.34 C ATOM 1745 NH1 ARG A 108 15.152 5.502 3.638 1.00 12.43 N ATOM 1746 NH2 ARG A 108 16.147 4.939 1.648 1.00 11.34 N ATOM 0 H ARG A 108 13.998 -0.532 2.066 1.00 72.40 H new ATOM 0 HA ARG A 108 16.023 -1.304 3.901 1.00 24.22 H new ATOM 0 HB2 ARG A 108 15.449 0.902 4.986 1.00 51.35 H new ATOM 0 HB3 ARG A 108 15.830 1.012 3.280 1.00 51.35 H new ATOM 0 HG2 ARG A 108 13.348 1.071 2.780 1.00 74.40 H new ATOM 0 HG3 ARG A 108 13.036 1.091 4.504 1.00 74.40 H new ATOM 0 HD2 ARG A 108 12.904 3.367 3.633 1.00 50.31 H new ATOM 0 HD3 ARG A 108 14.279 3.241 4.712 1.00 50.31 H new ATOM 0 HE ARG A 108 14.956 2.788 1.895 1.00 42.42 H new ATOM 0 HH11 ARG A 108 14.542 5.264 4.420 1.00 12.43 H new ATOM 0 HH12 ARG A 108 15.605 6.415 3.604 1.00 12.43 H new ATOM 0 HH21 ARG A 108 16.306 4.269 0.895 1.00 11.34 H new ATOM 0 HH22 ARG A 108 16.597 5.854 1.620 1.00 11.34 H new ATOM 1760 N LEU A 109 12.911 -1.723 4.926 1.00 74.33 N ATOM 1761 CA LEU A 109 12.082 -2.370 5.973 1.00 21.12 C ATOM 1762 C LEU A 109 12.448 -3.843 6.131 1.00 12.34 C ATOM 1763 O LEU A 109 12.634 -4.328 7.238 1.00 61.11 O ATOM 1764 CB LEU A 109 10.571 -2.227 5.668 1.00 60.40 C ATOM 1765 CG LEU A 109 9.591 -2.833 6.727 1.00 62.22 C ATOM 1766 CD1 LEU A 109 9.750 -2.184 8.120 1.00 33.44 C ATOM 1767 CD2 LEU A 109 8.148 -2.737 6.242 1.00 51.35 C ATOM 0 H LEU A 109 12.388 -1.451 4.094 1.00 74.33 H new ATOM 0 HA LEU A 109 12.291 -1.857 6.912 1.00 21.12 H new ATOM 0 HB2 LEU A 109 10.343 -1.167 5.557 1.00 60.40 H new ATOM 0 HB3 LEU A 109 10.370 -2.698 4.706 1.00 60.40 H new ATOM 0 HG LEU A 109 9.853 -3.885 6.839 1.00 62.22 H new ATOM 0 HD11 LEU A 109 9.047 -2.641 8.817 1.00 33.44 H new ATOM 0 HD12 LEU A 109 10.768 -2.337 8.479 1.00 33.44 H new ATOM 0 HD13 LEU A 109 9.547 -1.115 8.049 1.00 33.44 H new ATOM 0 HD21 LEU A 109 7.483 -3.164 6.993 1.00 51.35 H new ATOM 0 HD22 LEU A 109 7.888 -1.691 6.079 1.00 51.35 H new ATOM 0 HD23 LEU A 109 8.041 -3.287 5.307 1.00 51.35 H new ATOM 1779 N SER A 110 12.576 -4.521 4.998 1.00 13.34 N ATOM 1780 CA SER A 110 12.810 -5.960 4.935 1.00 35.40 C ATOM 1781 C SER A 110 14.252 -6.275 5.376 1.00 22.44 C ATOM 1782 O SER A 110 14.514 -7.351 5.923 1.00 12.50 O ATOM 1783 CB SER A 110 12.536 -6.448 3.496 1.00 33.41 C ATOM 1784 OG SER A 110 12.489 -7.867 3.405 1.00 42.13 O ATOM 0 H SER A 110 12.519 -4.080 4.080 1.00 13.34 H new ATOM 0 HA SER A 110 12.137 -6.484 5.613 1.00 35.40 H new ATOM 0 HB2 SER A 110 11.590 -6.033 3.148 1.00 33.41 H new ATOM 0 HB3 SER A 110 13.314 -6.069 2.832 1.00 33.41 H new ATOM 0 HG SER A 110 12.312 -8.130 2.478 1.00 42.13 H new ATOM 1790 N GLY A 111 15.182 -5.311 5.139 1.00 10.41 N ATOM 1791 CA GLY A 111 16.580 -5.487 5.507 1.00 72.42 C ATOM 1792 C GLY A 111 16.903 -5.047 6.933 1.00 13.23 C ATOM 1793 O GLY A 111 17.309 -5.883 7.748 1.00 12.14 O ATOM 0 H GLY A 111 14.973 -4.416 4.697 1.00 10.41 H new ATOM 0 HA2 GLY A 111 16.847 -6.538 5.392 1.00 72.42 H new ATOM 0 HA3 GLY A 111 17.202 -4.922 4.813 1.00 72.42 H new ATOM 1797 N MET A 112 16.738 -3.739 7.264 1.00 41.13 N ATOM 1798 CA MET A 112 16.985 -3.263 8.649 1.00 51.43 C ATOM 1799 C MET A 112 15.670 -3.122 9.460 1.00 53.00 C ATOM 1800 O MET A 112 15.380 -3.968 10.314 1.00 71.52 O ATOM 1801 CB MET A 112 17.778 -1.924 8.608 1.00 22.31 C ATOM 1802 CG MET A 112 18.196 -1.375 9.985 1.00 25.01 C ATOM 1803 SD MET A 112 16.816 -0.695 10.931 1.00 20.21 S ATOM 1804 CE MET A 112 17.590 -0.358 12.504 1.00 1.41 C ATOM 0 H MET A 112 16.443 -3.014 6.610 1.00 41.13 H new ATOM 0 HA MET A 112 17.584 -4.012 9.167 1.00 51.43 H new ATOM 0 HB2 MET A 112 18.673 -2.067 8.003 1.00 22.31 H new ATOM 0 HB3 MET A 112 17.169 -1.174 8.103 1.00 22.31 H new ATOM 0 HG2 MET A 112 18.663 -2.174 10.560 1.00 25.01 H new ATOM 0 HG3 MET A 112 18.949 -0.600 9.846 1.00 25.01 H new ATOM 0 HE1 MET A 112 16.855 0.066 13.188 1.00 1.41 H new ATOM 0 HE2 MET A 112 17.983 -1.285 12.922 1.00 1.41 H new ATOM 0 HE3 MET A 112 18.406 0.351 12.364 1.00 1.41 H new ATOM 1814 N LEU A 113 14.849 -2.102 9.070 1.00 34.44 N ATOM 1815 CA LEU A 113 13.589 -1.681 9.760 1.00 30.10 C ATOM 1816 C LEU A 113 13.210 -0.254 9.256 1.00 2.32 C ATOM 1817 O LEU A 113 13.031 0.690 10.040 1.00 5.35 O ATOM 1818 CB LEU A 113 13.702 -1.689 11.336 1.00 4.11 C ATOM 1819 CG LEU A 113 12.411 -2.069 12.148 1.00 33.22 C ATOM 1820 CD1 LEU A 113 12.644 -1.944 13.668 1.00 42.24 C ATOM 1821 CD2 LEU A 113 11.176 -1.250 11.723 1.00 31.11 C ATOM 0 H LEU A 113 15.050 -1.535 8.246 1.00 34.44 H new ATOM 0 HA LEU A 113 12.814 -2.407 9.513 1.00 30.10 H new ATOM 0 HB2 LEU A 113 14.493 -2.385 11.614 1.00 4.11 H new ATOM 0 HB3 LEU A 113 14.023 -0.698 11.656 1.00 4.11 H new ATOM 0 HG LEU A 113 12.202 -3.112 11.912 1.00 33.22 H new ATOM 0 HD11 LEU A 113 11.731 -2.214 14.199 1.00 42.24 H new ATOM 0 HD12 LEU A 113 13.450 -2.613 13.969 1.00 42.24 H new ATOM 0 HD13 LEU A 113 12.915 -0.917 13.911 1.00 42.24 H new ATOM 0 HD21 LEU A 113 10.315 -1.555 12.317 1.00 31.11 H new ATOM 0 HD22 LEU A 113 11.370 -0.189 11.883 1.00 31.11 H new ATOM 0 HD23 LEU A 113 10.969 -1.425 10.667 1.00 31.11 H new ATOM 1833 N LEU A 114 13.177 -0.121 7.931 1.00 64.01 N ATOM 1834 CA LEU A 114 12.671 1.067 7.193 1.00 72.11 C ATOM 1835 C LEU A 114 13.579 2.308 7.354 1.00 14.31 C ATOM 1836 O LEU A 114 13.214 3.403 6.940 1.00 71.43 O ATOM 1837 CB LEU A 114 11.152 1.351 7.513 1.00 22.33 C ATOM 1838 CG LEU A 114 10.198 1.519 6.267 1.00 73.13 C ATOM 1839 CD1 LEU A 114 8.723 1.336 6.657 1.00 11.43 C ATOM 1840 CD2 LEU A 114 10.398 2.872 5.546 1.00 11.01 C ATOM 0 H LEU A 114 13.511 -0.856 7.307 1.00 64.01 H new ATOM 0 HA LEU A 114 12.717 0.824 6.131 1.00 72.11 H new ATOM 0 HB2 LEU A 114 10.773 0.535 8.128 1.00 22.33 H new ATOM 0 HB3 LEU A 114 11.092 2.258 8.115 1.00 22.33 H new ATOM 0 HG LEU A 114 10.472 0.730 5.566 1.00 73.13 H new ATOM 0 HD11 LEU A 114 8.095 1.459 5.774 1.00 11.43 H new ATOM 0 HD12 LEU A 114 8.577 0.338 7.070 1.00 11.43 H new ATOM 0 HD13 LEU A 114 8.449 2.081 7.403 1.00 11.43 H new ATOM 0 HD21 LEU A 114 9.718 2.936 4.697 1.00 11.01 H new ATOM 0 HD22 LEU A 114 10.191 3.688 6.239 1.00 11.01 H new ATOM 0 HD23 LEU A 114 11.427 2.948 5.193 1.00 11.01 H new ATOM 1852 N VAL A 115 14.784 2.119 7.906 1.00 65.10 N ATOM 1853 CA VAL A 115 15.829 3.163 7.961 1.00 4.41 C ATOM 1854 C VAL A 115 17.145 2.596 7.366 1.00 61.30 C ATOM 1855 O VAL A 115 17.448 1.404 7.565 1.00 42.32 O ATOM 1856 CB VAL A 115 16.064 3.697 9.432 1.00 74.34 C ATOM 1857 CG1 VAL A 115 14.827 4.458 9.966 1.00 51.51 C ATOM 1858 CG2 VAL A 115 16.464 2.556 10.392 1.00 40.33 C ATOM 0 H VAL A 115 15.068 1.236 8.330 1.00 65.10 H new ATOM 0 HA VAL A 115 15.493 4.015 7.370 1.00 4.41 H new ATOM 0 HB VAL A 115 16.894 4.402 9.387 1.00 74.34 H new ATOM 0 HG11 VAL A 115 15.025 4.810 10.978 1.00 51.51 H new ATOM 0 HG12 VAL A 115 14.618 5.311 9.320 1.00 51.51 H new ATOM 0 HG13 VAL A 115 13.965 3.790 9.976 1.00 51.51 H new ATOM 0 HG21 VAL A 115 16.617 2.960 11.393 1.00 40.33 H new ATOM 0 HG22 VAL A 115 15.671 1.809 10.420 1.00 40.33 H new ATOM 0 HG23 VAL A 115 17.387 2.093 10.042 1.00 40.33 H new ATOM 1868 N PRO A 116 17.923 3.416 6.578 1.00 32.13 N ATOM 1869 CA PRO A 116 19.251 3.010 6.066 1.00 75.23 C ATOM 1870 C PRO A 116 20.252 2.782 7.224 1.00 51.42 C ATOM 1871 O PRO A 116 20.775 3.741 7.803 1.00 74.41 O ATOM 1872 CB PRO A 116 19.679 4.189 5.137 1.00 55.25 C ATOM 1873 CG PRO A 116 18.407 4.943 4.861 1.00 42.14 C ATOM 1874 CD PRO A 116 17.564 4.780 6.108 1.00 75.01 C ATOM 0 HA PRO A 116 19.225 2.061 5.530 1.00 75.23 H new ATOM 0 HB2 PRO A 116 20.419 4.826 5.622 1.00 55.25 H new ATOM 0 HB3 PRO A 116 20.129 3.822 4.215 1.00 55.25 H new ATOM 0 HG2 PRO A 116 18.610 5.995 4.659 1.00 42.14 H new ATOM 0 HG3 PRO A 116 17.895 4.543 3.986 1.00 42.14 H new ATOM 0 HD2 PRO A 116 17.797 5.539 6.855 1.00 75.01 H new ATOM 0 HD3 PRO A 116 16.499 4.865 5.890 1.00 75.01 H new ATOM 1882 N ASP A 117 20.445 1.500 7.578 1.00 1.43 N ATOM 1883 CA ASP A 117 21.289 1.073 8.720 1.00 21.52 C ATOM 1884 C ASP A 117 21.543 -0.456 8.633 1.00 11.12 C ATOM 1885 O ASP A 117 21.908 -1.108 9.617 1.00 4.24 O ATOM 1886 CB ASP A 117 20.574 1.490 10.055 1.00 25.12 C ATOM 1887 CG ASP A 117 21.383 1.202 11.340 1.00 72.04 C ATOM 1888 OD1 ASP A 117 21.040 0.262 12.085 1.00 2.34 O ATOM 1889 OD2 ASP A 117 22.371 1.915 11.607 1.00 74.52 O ATOM 0 H ASP A 117 20.018 0.720 7.078 1.00 1.43 H new ATOM 0 HA ASP A 117 22.263 1.561 8.693 1.00 21.52 H new ATOM 0 HB2 ASP A 117 20.351 2.556 10.014 1.00 25.12 H new ATOM 0 HB3 ASP A 117 19.620 0.967 10.118 1.00 25.12 H new ATOM 1894 N ALA A 118 21.397 -1.019 7.412 1.00 31.13 N ATOM 1895 CA ALA A 118 21.447 -2.481 7.175 1.00 51.40 C ATOM 1896 C ALA A 118 22.834 -3.089 7.527 1.00 55.42 C ATOM 1897 O ALA A 118 23.865 -2.486 7.204 1.00 35.40 O ATOM 1898 CB ALA A 118 21.077 -2.794 5.719 1.00 24.00 C ATOM 0 H ALA A 118 21.241 -0.474 6.564 1.00 31.13 H new ATOM 0 HA ALA A 118 20.718 -2.944 7.840 1.00 51.40 H new ATOM 0 HB1 ALA A 118 21.117 -3.871 5.557 1.00 24.00 H new ATOM 0 HB2 ALA A 118 20.069 -2.434 5.514 1.00 24.00 H new ATOM 0 HB3 ALA A 118 21.782 -2.300 5.050 1.00 24.00 H new ATOM 1904 N PRO A 119 22.868 -4.289 8.207 1.00 4.25 N ATOM 1905 CA PRO A 119 24.132 -4.964 8.604 1.00 1.10 C ATOM 1906 C PRO A 119 24.970 -5.422 7.389 1.00 60.42 C ATOM 1907 O PRO A 119 24.420 -5.779 6.341 1.00 45.11 O ATOM 1908 CB PRO A 119 23.652 -6.183 9.457 1.00 52.13 C ATOM 1909 CG PRO A 119 22.224 -5.877 9.815 1.00 72.40 C ATOM 1910 CD PRO A 119 21.682 -5.074 8.656 1.00 62.34 C ATOM 0 HA PRO A 119 24.795 -4.293 9.151 1.00 1.10 H new ATOM 0 HB2 PRO A 119 23.726 -7.112 8.892 1.00 52.13 H new ATOM 0 HB3 PRO A 119 24.265 -6.304 10.350 1.00 52.13 H new ATOM 0 HG2 PRO A 119 21.651 -6.793 9.960 1.00 72.40 H new ATOM 0 HG3 PRO A 119 22.165 -5.313 10.746 1.00 72.40 H new ATOM 0 HD2 PRO A 119 21.300 -5.717 7.863 1.00 62.34 H new ATOM 0 HD3 PRO A 119 20.862 -4.425 8.963 1.00 62.34 H new ATOM 1918 N GLY A 120 26.302 -5.403 7.555 1.00 53.43 N ATOM 1919 CA GLY A 120 27.234 -5.904 6.537 1.00 24.05 C ATOM 1920 C GLY A 120 27.255 -7.430 6.445 1.00 62.22 C ATOM 1921 O GLY A 120 27.798 -7.992 5.485 1.00 4.10 O ATOM 0 H GLY A 120 26.759 -5.042 8.393 1.00 53.43 H new ATOM 0 HA2 GLY A 120 26.960 -5.491 5.566 1.00 24.05 H new ATOM 0 HA3 GLY A 120 28.238 -5.545 6.764 1.00 24.05 H new ATOM 1925 N ALA A 121 26.670 -8.094 7.454 1.00 62.55 N ATOM 1926 CA ALA A 121 26.504 -9.550 7.507 1.00 15.14 C ATOM 1927 C ALA A 121 25.074 -9.867 7.971 1.00 24.04 C ATOM 1928 O ALA A 121 24.706 -9.558 9.109 1.00 34.22 O ATOM 1929 CB ALA A 121 27.545 -10.184 8.454 1.00 42.42 C ATOM 0 H ALA A 121 26.291 -7.620 8.274 1.00 62.55 H new ATOM 0 HA ALA A 121 26.665 -9.974 6.516 1.00 15.14 H new ATOM 0 HB1 ALA A 121 27.404 -11.265 8.479 1.00 42.42 H new ATOM 0 HB2 ALA A 121 28.549 -9.957 8.095 1.00 42.42 H new ATOM 0 HB3 ALA A 121 27.418 -9.779 9.458 1.00 42.42 H new ATOM 1935 N SER A 122 24.260 -10.429 7.070 1.00 24.22 N ATOM 1936 CA SER A 122 22.890 -10.868 7.354 1.00 45.22 C ATOM 1937 C SER A 122 22.649 -12.194 6.594 1.00 23.34 C ATOM 1938 O SER A 122 22.819 -13.279 7.191 1.00 32.21 O ATOM 1939 CB SER A 122 21.875 -9.770 6.926 1.00 10.54 C ATOM 1940 OG SER A 122 22.171 -8.527 7.533 1.00 71.20 O ATOM 1941 OXT SER A 122 22.353 -12.154 5.382 1.00 38.21 O ATOM 0 H SER A 122 24.542 -10.594 6.104 1.00 24.22 H new ATOM 0 HA SER A 122 22.750 -11.033 8.422 1.00 45.22 H new ATOM 0 HB2 SER A 122 21.892 -9.660 5.842 1.00 10.54 H new ATOM 0 HB3 SER A 122 20.866 -10.079 7.200 1.00 10.54 H new ATOM 0 HG SER A 122 21.517 -7.857 7.243 1.00 71.20 H new TER 1947 SER A 122