USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 141:sc= 1.28 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 1.06 K(o=2.3,f=-6.3!) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 26 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.83) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 152:sc= -2.39! (180deg=-2.78!) USER MOD Single : A 44 SER OG : rot 44:sc= 0.52 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 47 MET CE :methyl -112:sc= -4.96! (180deg=-11.4!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00221 X(o=-0.0022,f=-0.059) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -88:sc= 0.312 USER MOD Single : A 78 SER OG : rot -53:sc= 0.196 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.038 16.227 -9.815 1.00 0.00 N ATOM 2 CA GLY A 1 25.527 14.908 -10.136 1.00 0.00 C ATOM 3 C GLY A 1 24.015 14.833 -10.045 1.00 0.00 C ATOM 4 O GLY A 1 23.440 15.039 -8.977 1.00 0.00 O ATOM 0 H1 GLY A 1 27.075 16.226 -9.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.643 16.923 -10.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.763 16.479 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.841 14.636 -11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.965 14.177 -9.457 1.00 0.00 H new ATOM 8 N SER A 2 23.370 14.539 -11.170 1.00 0.00 N ATOM 9 CA SER A 2 21.916 14.444 -11.214 1.00 0.00 C ATOM 10 C SER A 2 21.465 12.987 -11.172 1.00 0.00 C ATOM 11 O SER A 2 22.288 12.071 -11.170 1.00 0.00 O ATOM 12 CB SER A 2 21.377 15.119 -12.477 1.00 0.00 C ATOM 13 OG SER A 2 20.864 16.408 -12.186 1.00 0.00 O ATOM 0 H SER A 2 23.832 14.363 -12.062 1.00 0.00 H new ATOM 0 HA SER A 2 21.517 14.956 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.172 15.199 -13.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.593 14.503 -12.916 1.00 0.00 H new ATOM 0 HG SER A 2 20.527 16.820 -13.009 1.00 0.00 H new ATOM 19 N SER A 3 20.153 12.781 -11.137 1.00 0.00 N ATOM 20 CA SER A 3 19.591 11.436 -11.090 1.00 0.00 C ATOM 21 C SER A 3 18.865 11.105 -12.390 1.00 0.00 C ATOM 22 O SER A 3 18.066 11.897 -12.887 1.00 0.00 O ATOM 23 CB SER A 3 18.630 11.302 -9.907 1.00 0.00 C ATOM 24 OG SER A 3 18.625 9.978 -9.401 1.00 0.00 O ATOM 0 H SER A 3 19.459 13.528 -11.140 1.00 0.00 H new ATOM 0 HA SER A 3 20.412 10.730 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.921 11.995 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.623 11.579 -10.219 1.00 0.00 H new ATOM 0 HG SER A 3 18.004 9.919 -8.645 1.00 0.00 H new ATOM 30 N GLY A 4 19.150 9.926 -12.937 1.00 0.00 N ATOM 31 CA GLY A 4 18.516 9.510 -14.174 1.00 0.00 C ATOM 32 C GLY A 4 18.056 8.066 -14.133 1.00 0.00 C ATOM 33 O GLY A 4 18.830 7.153 -14.418 1.00 0.00 O ATOM 0 H GLY A 4 19.808 9.253 -12.545 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.661 10.155 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.216 9.642 -14.999 1.00 0.00 H new ATOM 37 N SER A 5 16.793 7.859 -13.776 1.00 0.00 N ATOM 38 CA SER A 5 16.232 6.516 -13.693 1.00 0.00 C ATOM 39 C SER A 5 15.013 6.379 -14.600 1.00 0.00 C ATOM 40 O SER A 5 13.882 6.621 -14.178 1.00 0.00 O ATOM 41 CB SER A 5 15.848 6.189 -12.249 1.00 0.00 C ATOM 42 OG SER A 5 16.912 5.545 -11.571 1.00 0.00 O ATOM 0 H SER A 5 16.138 8.605 -13.539 1.00 0.00 H new ATOM 0 HA SER A 5 16.992 5.810 -14.027 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.581 7.106 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.966 5.548 -12.240 1.00 0.00 H new ATOM 0 HG SER A 5 16.642 5.348 -10.650 1.00 0.00 H new ATOM 48 N SER A 6 15.252 5.989 -15.848 1.00 0.00 N ATOM 49 CA SER A 6 14.175 5.823 -16.816 1.00 0.00 C ATOM 50 C SER A 6 14.028 4.359 -17.220 1.00 0.00 C ATOM 51 O SER A 6 15.001 3.707 -17.595 1.00 0.00 O ATOM 52 CB SER A 6 14.437 6.682 -18.055 1.00 0.00 C ATOM 53 OG SER A 6 15.098 7.887 -17.709 1.00 0.00 O ATOM 0 H SER A 6 16.182 5.782 -16.212 1.00 0.00 H new ATOM 0 HA SER A 6 13.246 6.148 -16.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.043 6.123 -18.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.493 6.910 -18.550 1.00 0.00 H new ATOM 0 HG SER A 6 15.256 8.418 -18.518 1.00 0.00 H new ATOM 59 N GLY A 7 12.802 3.850 -17.141 1.00 0.00 N ATOM 60 CA GLY A 7 12.549 2.467 -17.501 1.00 0.00 C ATOM 61 C GLY A 7 11.073 2.179 -17.691 1.00 0.00 C ATOM 62 O GLY A 7 10.444 1.490 -16.887 1.00 0.00 O ATOM 0 H GLY A 7 11.980 4.370 -16.834 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.084 2.230 -18.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.947 1.814 -16.724 1.00 0.00 H new ATOM 66 N PRO A 8 10.497 2.715 -18.777 1.00 0.00 N ATOM 67 CA PRO A 8 9.078 2.526 -19.096 1.00 0.00 C ATOM 68 C PRO A 8 8.764 1.094 -19.515 1.00 0.00 C ATOM 69 O PRO A 8 9.181 0.644 -20.583 1.00 0.00 O ATOM 70 CB PRO A 8 8.845 3.488 -20.263 1.00 0.00 C ATOM 71 CG PRO A 8 10.184 3.647 -20.896 1.00 0.00 C ATOM 72 CD PRO A 8 11.185 3.546 -19.779 1.00 0.00 C ATOM 0 HA PRO A 8 8.438 2.717 -18.235 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.119 3.085 -20.969 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.455 4.445 -19.916 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.356 2.874 -21.645 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.263 4.607 -21.405 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.115 3.085 -20.113 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.441 4.527 -19.379 1.00 0.00 H new ATOM 80 N ARG A 9 8.027 0.382 -18.669 1.00 0.00 N ATOM 81 CA ARG A 9 7.658 -0.999 -18.952 1.00 0.00 C ATOM 82 C ARG A 9 6.206 -1.091 -19.413 1.00 0.00 C ATOM 83 O ARG A 9 5.853 -1.954 -20.218 1.00 0.00 O ATOM 84 CB ARG A 9 7.866 -1.870 -17.711 1.00 0.00 C ATOM 85 CG ARG A 9 8.533 -3.203 -18.008 1.00 0.00 C ATOM 86 CD ARG A 9 8.156 -4.256 -16.978 1.00 0.00 C ATOM 87 NE ARG A 9 9.275 -5.139 -16.662 1.00 0.00 N ATOM 88 CZ ARG A 9 9.182 -6.180 -15.842 1.00 0.00 C ATOM 89 NH1 ARG A 9 8.026 -6.467 -15.259 1.00 0.00 N ATOM 90 NH2 ARG A 9 10.246 -6.937 -15.604 1.00 0.00 N ATOM 0 H ARG A 9 7.674 0.739 -17.781 1.00 0.00 H new ATOM 0 HA ARG A 9 8.300 -1.362 -19.755 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.473 -1.322 -16.990 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.900 -2.053 -17.240 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.242 -3.544 -19.002 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.615 -3.075 -18.020 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.813 -3.765 -16.067 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.322 -4.848 -17.354 1.00 0.00 H new ATOM 0 HE ARG A 9 10.178 -4.946 -17.095 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.206 -5.888 -15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.957 -7.267 -14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.137 -6.720 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.173 -7.736 -14.974 1.00 0.00 H new ATOM 104 N CYS A 10 5.370 -0.196 -18.899 1.00 0.00 N ATOM 105 CA CYS A 10 3.956 -0.176 -19.257 1.00 0.00 C ATOM 106 C CYS A 10 3.779 -0.013 -20.763 1.00 0.00 C ATOM 107 O CYS A 10 4.681 0.427 -21.475 1.00 0.00 O ATOM 108 CB CYS A 10 3.238 0.957 -18.521 1.00 0.00 C ATOM 109 SG CYS A 10 2.440 0.447 -16.981 1.00 0.00 S ATOM 0 H CYS A 10 5.647 0.525 -18.233 1.00 0.00 H new ATOM 0 HA CYS A 10 3.517 -1.128 -18.959 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.957 1.746 -18.301 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.486 1.386 -19.183 1.00 0.00 H new ATOM 0 HG CYS A 10 1.862 1.474 -16.431 1.00 0.00 H new ATOM 115 N PRO A 11 2.588 -0.378 -21.261 1.00 0.00 N ATOM 116 CA PRO A 11 2.265 -0.283 -22.688 1.00 0.00 C ATOM 117 C PRO A 11 2.128 1.162 -23.156 1.00 0.00 C ATOM 118 O PRO A 11 2.289 2.097 -22.372 1.00 0.00 O ATOM 119 CB PRO A 11 0.922 -1.009 -22.797 1.00 0.00 C ATOM 120 CG PRO A 11 0.317 -0.892 -21.440 1.00 0.00 C ATOM 121 CD PRO A 11 1.466 -0.911 -20.471 1.00 0.00 C ATOM 0 HA PRO A 11 3.049 -0.712 -23.313 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.285 -0.552 -23.555 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.058 -2.052 -23.081 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.257 0.030 -21.347 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.370 -1.716 -21.247 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.263 -0.295 -19.595 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.671 -1.919 -20.111 1.00 0.00 H new ATOM 129 N VAL A 12 1.830 1.338 -24.439 1.00 0.00 N ATOM 130 CA VAL A 12 1.670 2.669 -25.012 1.00 0.00 C ATOM 131 C VAL A 12 0.498 2.712 -25.986 1.00 0.00 C ATOM 132 O VAL A 12 0.430 1.918 -26.924 1.00 0.00 O ATOM 133 CB VAL A 12 2.947 3.124 -25.742 1.00 0.00 C ATOM 134 CG1 VAL A 12 2.802 4.556 -26.233 1.00 0.00 C ATOM 135 CG2 VAL A 12 4.159 2.983 -24.833 1.00 0.00 C ATOM 0 H VAL A 12 1.694 0.575 -25.102 1.00 0.00 H new ATOM 0 HA VAL A 12 1.474 3.348 -24.182 1.00 0.00 H new ATOM 0 HB VAL A 12 3.096 2.482 -26.610 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.715 4.859 -26.746 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.960 4.621 -26.922 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.627 5.216 -25.383 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.053 3.309 -25.365 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.021 3.599 -23.944 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.273 1.940 -24.538 1.00 0.00 H new ATOM 145 N GLN A 13 -0.422 3.643 -25.757 1.00 0.00 N ATOM 146 CA GLN A 13 -1.592 3.789 -26.615 1.00 0.00 C ATOM 147 C GLN A 13 -1.345 4.832 -27.700 1.00 0.00 C ATOM 148 O GLN A 13 -0.361 5.571 -27.654 1.00 0.00 O ATOM 149 CB GLN A 13 -2.815 4.180 -25.784 1.00 0.00 C ATOM 150 CG GLN A 13 -2.764 5.606 -25.261 1.00 0.00 C ATOM 151 CD GLN A 13 -3.914 5.926 -24.326 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.707 6.386 -23.203 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.136 5.683 -24.786 1.00 0.00 N ATOM 0 H GLN A 13 -0.380 4.308 -24.984 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.780 2.829 -27.096 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.711 4.057 -26.392 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.905 3.495 -24.941 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.821 5.764 -24.738 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.781 6.299 -26.103 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.261 5.301 -25.724 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.949 5.878 -24.202 1.00 0.00 H new ATOM 162 N THR A 14 -2.244 4.887 -28.677 1.00 0.00 N ATOM 163 CA THR A 14 -2.124 5.838 -29.775 1.00 0.00 C ATOM 164 C THR A 14 -3.335 6.761 -29.838 1.00 0.00 C ATOM 165 O THR A 14 -4.385 6.465 -29.267 1.00 0.00 O ATOM 166 CB THR A 14 -1.970 5.118 -31.128 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.221 4.543 -31.521 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.910 4.031 -31.045 1.00 0.00 C ATOM 0 H THR A 14 -3.064 4.283 -28.730 1.00 0.00 H new ATOM 0 HA THR A 14 -1.229 6.430 -29.583 1.00 0.00 H new ATOM 0 HB THR A 14 -1.658 5.851 -31.872 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.116 4.088 -32.383 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.819 3.537 -32.012 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.047 4.476 -30.774 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.197 3.300 -30.289 1.00 0.00 H new ATOM 176 N VAL A 15 -3.183 7.882 -30.536 1.00 0.00 N ATOM 177 CA VAL A 15 -4.266 8.849 -30.675 1.00 0.00 C ATOM 178 C VAL A 15 -5.546 8.175 -31.155 1.00 0.00 C ATOM 179 O VAL A 15 -6.642 8.505 -30.703 1.00 0.00 O ATOM 180 CB VAL A 15 -3.892 9.974 -31.658 1.00 0.00 C ATOM 181 CG1 VAL A 15 -5.044 10.955 -31.811 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.630 10.687 -31.195 1.00 0.00 C ATOM 0 H VAL A 15 -2.321 8.143 -31.014 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.433 9.280 -29.688 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.694 9.530 -32.634 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.761 11.743 -32.509 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.920 10.430 -32.192 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.277 11.396 -30.842 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.380 11.479 -31.901 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.798 11.120 -30.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.807 9.974 -31.143 1.00 0.00 H new ATOM 192 N GLY A 16 -5.400 7.225 -32.075 1.00 0.00 N ATOM 193 CA GLY A 16 -6.553 6.519 -32.601 1.00 0.00 C ATOM 194 C GLY A 16 -7.363 5.840 -31.515 1.00 0.00 C ATOM 195 O GLY A 16 -8.517 6.197 -31.278 1.00 0.00 O ATOM 0 H GLY A 16 -4.504 6.933 -32.465 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.190 7.221 -33.140 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.220 5.772 -33.322 1.00 0.00 H new ATOM 199 N GLN A 17 -6.758 4.858 -30.854 1.00 0.00 N ATOM 200 CA GLN A 17 -7.433 4.127 -29.788 1.00 0.00 C ATOM 201 C GLN A 17 -7.782 5.053 -28.628 1.00 0.00 C ATOM 202 O GLN A 17 -8.750 4.820 -27.904 1.00 0.00 O ATOM 203 CB GLN A 17 -6.552 2.979 -29.292 1.00 0.00 C ATOM 204 CG GLN A 17 -6.186 1.979 -30.377 1.00 0.00 C ATOM 205 CD GLN A 17 -5.170 0.956 -29.910 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.529 -0.093 -29.374 1.00 0.00 O ATOM 207 NE2 GLN A 17 -3.892 1.255 -30.112 1.00 0.00 N ATOM 0 H GLN A 17 -5.803 4.551 -31.038 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.359 3.718 -30.193 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.637 3.392 -28.867 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.070 2.456 -28.488 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.087 1.464 -30.710 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.787 2.514 -31.239 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.639 2.136 -30.560 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.163 0.604 -29.819 1.00 0.00 H new ATOM 216 N TRP A 18 -6.988 6.104 -28.458 1.00 0.00 N ATOM 217 CA TRP A 18 -7.214 7.066 -27.385 1.00 0.00 C ATOM 218 C TRP A 18 -8.498 7.853 -27.620 1.00 0.00 C ATOM 219 O TRP A 18 -9.273 8.089 -26.692 1.00 0.00 O ATOM 220 CB TRP A 18 -6.027 8.025 -27.274 1.00 0.00 C ATOM 221 CG TRP A 18 -6.260 9.150 -26.312 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.485 9.047 -24.969 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.293 10.548 -26.620 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.656 10.296 -24.423 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.542 11.234 -25.415 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.135 11.287 -27.795 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.637 12.622 -25.355 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.230 12.664 -27.734 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.478 13.320 -26.521 1.00 0.00 C ATOM 0 H TRP A 18 -6.183 6.312 -29.049 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.315 6.513 -26.451 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.145 7.466 -26.961 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.809 8.438 -28.259 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.523 8.120 -24.417 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.838 10.493 -23.439 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.942 10.791 -28.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.829 13.129 -24.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.111 13.245 -28.637 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.545 14.398 -26.506 1.00 0.00 H new ATOM 240 N LEU A 19 -8.720 8.256 -28.866 1.00 0.00 N ATOM 241 CA LEU A 19 -9.913 9.017 -29.224 1.00 0.00 C ATOM 242 C LEU A 19 -11.163 8.151 -29.116 1.00 0.00 C ATOM 243 O LEU A 19 -12.214 8.613 -28.673 1.00 0.00 O ATOM 244 CB LEU A 19 -9.782 9.571 -30.644 1.00 0.00 C ATOM 245 CG LEU A 19 -9.005 10.880 -30.785 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.498 11.048 -32.209 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.874 12.062 -30.383 1.00 0.00 C ATOM 0 H LEU A 19 -8.090 8.069 -29.646 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.008 9.848 -28.525 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.298 8.816 -31.264 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.783 9.721 -31.048 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.145 10.844 -30.117 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.947 11.985 -32.291 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.839 10.217 -32.461 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.343 11.063 -32.897 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.304 12.985 -30.490 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.754 12.102 -31.025 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.187 11.947 -29.345 1.00 0.00 H new ATOM 259 N GLU A 20 -11.041 6.891 -29.524 1.00 0.00 N ATOM 260 CA GLU A 20 -12.163 5.960 -29.472 1.00 0.00 C ATOM 261 C GLU A 20 -12.621 5.740 -28.033 1.00 0.00 C ATOM 262 O GLU A 20 -13.779 5.407 -27.783 1.00 0.00 O ATOM 263 CB GLU A 20 -11.773 4.622 -30.104 1.00 0.00 C ATOM 264 CG GLU A 20 -11.244 4.751 -31.523 1.00 0.00 C ATOM 265 CD GLU A 20 -12.017 3.904 -32.514 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.265 3.908 -32.452 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.375 3.236 -33.351 1.00 0.00 O ATOM 0 H GLU A 20 -10.178 6.492 -29.894 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.989 6.394 -30.036 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.014 4.144 -29.484 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.642 3.964 -30.107 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.290 5.796 -31.830 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.194 4.459 -31.543 1.00 0.00 H new ATOM 274 N SER A 21 -11.703 5.929 -27.090 1.00 0.00 N ATOM 275 CA SER A 21 -12.010 5.747 -25.676 1.00 0.00 C ATOM 276 C SER A 21 -12.979 6.820 -25.189 1.00 0.00 C ATOM 277 O SER A 21 -14.101 6.518 -24.779 1.00 0.00 O ATOM 278 CB SER A 21 -10.727 5.787 -24.844 1.00 0.00 C ATOM 279 OG SER A 21 -10.943 6.439 -23.605 1.00 0.00 O ATOM 0 H SER A 21 -10.740 6.208 -27.280 1.00 0.00 H new ATOM 0 HA SER A 21 -12.482 4.772 -25.555 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.373 4.771 -24.667 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.945 6.305 -25.400 1.00 0.00 H new ATOM 0 HG SER A 21 -10.109 6.450 -23.091 1.00 0.00 H new ATOM 285 N ILE A 22 -12.538 8.072 -25.237 1.00 0.00 N ATOM 286 CA ILE A 22 -13.366 9.190 -24.802 1.00 0.00 C ATOM 287 C ILE A 22 -14.734 9.156 -25.474 1.00 0.00 C ATOM 288 O ILE A 22 -15.741 9.538 -24.878 1.00 0.00 O ATOM 289 CB ILE A 22 -12.692 10.541 -25.104 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.293 10.618 -26.579 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.477 10.739 -24.210 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.636 11.926 -26.961 1.00 0.00 C ATOM 0 H ILE A 22 -11.612 8.338 -25.573 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.491 9.088 -23.724 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.404 11.340 -24.897 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.611 9.799 -26.805 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.181 10.473 -27.195 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.012 11.698 -24.436 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.788 10.723 -23.165 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.760 9.937 -24.388 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.380 11.909 -28.020 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.324 12.749 -26.767 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.730 12.064 -26.371 1.00 0.00 H new ATOM 304 N GLY A 23 -14.764 8.693 -26.720 1.00 0.00 N ATOM 305 CA GLY A 23 -16.014 8.614 -27.453 1.00 0.00 C ATOM 306 C GLY A 23 -16.139 9.699 -28.504 1.00 0.00 C ATOM 307 O GLY A 23 -17.197 10.310 -28.654 1.00 0.00 O ATOM 0 H GLY A 23 -13.945 8.371 -27.235 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.090 7.638 -27.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.847 8.692 -26.754 1.00 0.00 H new ATOM 311 N LEU A 24 -15.055 9.941 -29.234 1.00 0.00 N ATOM 312 CA LEU A 24 -15.046 10.962 -30.276 1.00 0.00 C ATOM 313 C LEU A 24 -14.070 10.595 -31.389 1.00 0.00 C ATOM 314 O LEU A 24 -13.039 11.239 -31.582 1.00 0.00 O ATOM 315 CB LEU A 24 -14.673 12.321 -29.683 1.00 0.00 C ATOM 316 CG LEU A 24 -15.810 13.098 -29.018 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.263 14.290 -28.247 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.824 13.553 -30.057 1.00 0.00 C ATOM 0 H LEU A 24 -14.171 9.444 -29.123 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.048 11.021 -30.701 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.884 12.169 -28.946 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.253 12.939 -30.477 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.313 12.436 -28.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.087 14.831 -27.781 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.576 13.941 -27.476 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.734 14.954 -28.931 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.626 14.104 -29.566 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.334 14.198 -30.786 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.240 12.683 -30.565 1.00 0.00 H new ATOM 330 N PRO A 25 -14.403 9.536 -32.143 1.00 0.00 N ATOM 331 CA PRO A 25 -13.570 9.061 -33.252 1.00 0.00 C ATOM 332 C PRO A 25 -13.573 10.026 -34.433 1.00 0.00 C ATOM 333 O PRO A 25 -12.636 10.045 -35.231 1.00 0.00 O ATOM 334 CB PRO A 25 -14.225 7.734 -33.644 1.00 0.00 C ATOM 335 CG PRO A 25 -15.643 7.868 -33.208 1.00 0.00 C ATOM 336 CD PRO A 25 -15.617 8.721 -31.970 1.00 0.00 C ATOM 0 HA PRO A 25 -12.523 8.967 -32.965 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.156 7.560 -34.718 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.738 6.892 -33.153 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.249 8.330 -33.987 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.081 6.892 -33.000 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.510 9.341 -31.891 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.569 8.115 -31.065 1.00 0.00 H new ATOM 344 N GLN A 26 -14.630 10.824 -34.537 1.00 0.00 N ATOM 345 CA GLN A 26 -14.753 11.791 -35.621 1.00 0.00 C ATOM 346 C GLN A 26 -13.545 12.722 -35.660 1.00 0.00 C ATOM 347 O GLN A 26 -13.204 13.269 -36.709 1.00 0.00 O ATOM 348 CB GLN A 26 -16.036 12.608 -35.461 1.00 0.00 C ATOM 349 CG GLN A 26 -16.099 13.394 -34.161 1.00 0.00 C ATOM 350 CD GLN A 26 -17.348 13.091 -33.356 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.602 11.942 -32.993 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.134 14.122 -33.073 1.00 0.00 N ATOM 0 H GLN A 26 -15.414 10.820 -33.884 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.796 11.241 -36.561 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.123 13.300 -36.299 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.893 11.937 -35.512 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.219 13.165 -33.560 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.065 14.460 -34.384 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.884 15.057 -33.394 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.988 13.979 -32.534 1.00 0.00 H new ATOM 361 N TYR A 27 -12.903 12.897 -34.511 1.00 0.00 N ATOM 362 CA TYR A 27 -11.734 13.764 -34.413 1.00 0.00 C ATOM 363 C TYR A 27 -10.446 12.961 -34.569 1.00 0.00 C ATOM 364 O TYR A 27 -9.457 13.215 -33.882 1.00 0.00 O ATOM 365 CB TYR A 27 -11.730 14.500 -33.072 1.00 0.00 C ATOM 366 CG TYR A 27 -12.918 15.415 -32.880 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.287 16.323 -33.865 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.672 15.371 -31.714 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.371 17.162 -33.693 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.759 16.205 -31.534 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.104 17.099 -32.526 1.00 0.00 C ATOM 372 OH TYR A 27 -16.185 17.932 -32.352 1.00 0.00 O ATOM 0 H TYR A 27 -13.172 12.450 -33.634 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.786 14.494 -35.221 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.712 13.767 -32.265 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.814 15.086 -32.991 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.717 16.374 -34.781 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.404 14.673 -30.935 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.643 17.863 -34.468 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.335 16.157 -30.622 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.906 17.443 -31.903 1.00 0.00 H new ATOM 382 N GLU A 28 -10.467 11.992 -35.479 1.00 0.00 N ATOM 383 CA GLU A 28 -9.301 11.152 -35.727 1.00 0.00 C ATOM 384 C GLU A 28 -8.373 11.798 -36.752 1.00 0.00 C ATOM 385 O GLU A 28 -7.152 11.693 -36.652 1.00 0.00 O ATOM 386 CB GLU A 28 -9.736 9.769 -36.215 1.00 0.00 C ATOM 387 CG GLU A 28 -8.583 8.793 -36.384 1.00 0.00 C ATOM 388 CD GLU A 28 -8.652 8.030 -37.692 1.00 0.00 C ATOM 389 OE1 GLU A 28 -8.412 8.646 -38.751 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.945 6.817 -37.657 1.00 0.00 O ATOM 0 H GLU A 28 -11.278 11.769 -36.056 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.757 11.043 -34.789 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.453 9.352 -35.508 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.254 9.875 -37.168 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.640 9.338 -36.335 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.586 8.086 -35.555 1.00 0.00 H new ATOM 397 N ASN A 29 -8.964 12.465 -37.739 1.00 0.00 N ATOM 398 CA ASN A 29 -8.191 13.126 -38.784 1.00 0.00 C ATOM 399 C ASN A 29 -7.851 14.559 -38.384 1.00 0.00 C ATOM 400 O ASN A 29 -6.858 15.124 -38.844 1.00 0.00 O ATOM 401 CB ASN A 29 -8.968 13.123 -40.101 1.00 0.00 C ATOM 402 CG ASN A 29 -8.303 12.269 -41.163 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.833 11.233 -41.565 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.134 12.701 -41.623 1.00 0.00 N ATOM 0 H ASN A 29 -9.975 12.562 -37.837 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.261 12.574 -38.918 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.978 12.755 -39.923 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.061 14.146 -40.467 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.639 12.168 -42.338 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.732 13.566 -41.261 1.00 0.00 H new ATOM 411 N HIS A 30 -8.683 15.141 -37.526 1.00 0.00 N ATOM 412 CA HIS A 30 -8.470 16.508 -37.063 1.00 0.00 C ATOM 413 C HIS A 30 -7.083 16.664 -36.447 1.00 0.00 C ATOM 414 O HIS A 30 -6.326 17.563 -36.816 1.00 0.00 O ATOM 415 CB HIS A 30 -9.541 16.896 -36.043 1.00 0.00 C ATOM 416 CG HIS A 30 -10.712 17.609 -36.645 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.783 16.951 -37.212 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.978 18.930 -36.765 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.656 17.837 -37.656 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.192 19.046 -37.397 1.00 0.00 N ATOM 0 H HIS A 30 -9.510 14.688 -37.138 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.542 17.172 -37.924 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.894 15.996 -35.539 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.091 17.532 -35.281 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.352 19.742 -36.427 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.591 17.611 -38.148 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.659 19.923 -37.628 1.00 0.00 H new ATOM 428 N LEU A 31 -6.756 15.783 -35.508 1.00 0.00 N ATOM 429 CA LEU A 31 -5.460 15.823 -34.840 1.00 0.00 C ATOM 430 C LEU A 31 -4.357 15.308 -35.760 1.00 0.00 C ATOM 431 O LEU A 31 -3.307 15.935 -35.897 1.00 0.00 O ATOM 432 CB LEU A 31 -5.499 14.991 -33.557 1.00 0.00 C ATOM 433 CG LEU A 31 -6.293 15.588 -32.394 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.349 14.606 -31.909 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.361 15.976 -31.256 1.00 0.00 C ATOM 0 H LEU A 31 -7.370 15.032 -35.192 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.242 16.860 -34.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.919 14.014 -33.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.474 14.825 -33.224 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.797 16.488 -32.747 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.904 15.048 -31.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.035 14.377 -32.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.866 13.689 -31.573 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.943 16.399 -30.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.829 15.092 -30.904 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.642 16.715 -31.610 1.00 0.00 H new ATOM 447 N MET A 32 -4.605 14.165 -36.389 1.00 0.00 N ATOM 448 CA MET A 32 -3.634 13.568 -37.299 1.00 0.00 C ATOM 449 C MET A 32 -3.240 14.552 -38.395 1.00 0.00 C ATOM 450 O MET A 32 -2.147 14.467 -38.956 1.00 0.00 O ATOM 451 CB MET A 32 -4.205 12.293 -37.924 1.00 0.00 C ATOM 452 CG MET A 32 -4.249 11.114 -36.965 1.00 0.00 C ATOM 453 SD MET A 32 -2.865 9.981 -37.194 1.00 0.00 S ATOM 454 CE MET A 32 -2.749 9.254 -35.561 1.00 0.00 C ATOM 0 H MET A 32 -5.469 13.633 -36.286 1.00 0.00 H new ATOM 0 HA MET A 32 -2.743 13.315 -36.724 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.213 12.495 -38.285 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.604 12.023 -38.792 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.245 11.484 -35.940 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.184 10.572 -37.104 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.935 8.529 -35.542 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.555 10.036 -34.827 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.686 8.753 -35.318 1.00 0.00 H new ATOM 464 N ALA A 33 -4.136 15.486 -38.697 1.00 0.00 N ATOM 465 CA ALA A 33 -3.880 16.488 -39.724 1.00 0.00 C ATOM 466 C ALA A 33 -3.055 17.645 -39.170 1.00 0.00 C ATOM 467 O ALA A 33 -2.357 18.332 -39.913 1.00 0.00 O ATOM 468 CB ALA A 33 -5.192 17.000 -40.300 1.00 0.00 C ATOM 0 H ALA A 33 -5.046 15.569 -38.244 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.305 16.017 -40.521 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.986 17.748 -41.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.744 16.170 -40.742 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.788 17.449 -39.505 1.00 0.00 H new ATOM 474 N ASN A 34 -3.143 17.854 -37.861 1.00 0.00 N ATOM 475 CA ASN A 34 -2.406 18.929 -37.207 1.00 0.00 C ATOM 476 C ASN A 34 -1.094 18.413 -36.624 1.00 0.00 C ATOM 477 O ASN A 34 -0.626 18.899 -35.596 1.00 0.00 O ATOM 478 CB ASN A 34 -3.255 19.560 -36.102 1.00 0.00 C ATOM 479 CG ASN A 34 -4.240 20.580 -36.640 1.00 0.00 C ATOM 480 OD1 ASN A 34 -3.868 21.708 -36.961 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.504 20.186 -36.740 1.00 0.00 N ATOM 0 H ASN A 34 -3.717 17.293 -37.232 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.177 19.686 -37.957 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.799 18.777 -35.574 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.601 20.040 -35.374 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.212 20.829 -37.095 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.767 19.241 -36.462 1.00 0.00 H new ATOM 488 N GLY A 35 -0.504 17.425 -37.291 1.00 0.00 N ATOM 489 CA GLY A 35 0.748 16.859 -36.824 1.00 0.00 C ATOM 490 C GLY A 35 0.685 16.427 -35.373 1.00 0.00 C ATOM 491 O GLY A 35 1.648 16.593 -34.625 1.00 0.00 O ATOM 0 H GLY A 35 -0.871 17.007 -38.146 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.009 16.001 -37.444 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.543 17.594 -36.946 1.00 0.00 H new ATOM 495 N PHE A 36 -0.454 15.871 -34.973 1.00 0.00 N ATOM 496 CA PHE A 36 -0.641 15.415 -33.600 1.00 0.00 C ATOM 497 C PHE A 36 -0.840 13.903 -33.551 1.00 0.00 C ATOM 498 O PHE A 36 -1.966 13.417 -33.447 1.00 0.00 O ATOM 499 CB PHE A 36 -1.842 16.120 -32.966 1.00 0.00 C ATOM 500 CG PHE A 36 -1.579 17.557 -32.617 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.430 17.918 -31.933 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.481 18.546 -32.974 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.184 19.240 -31.611 1.00 0.00 C ATOM 504 CE2 PHE A 36 -2.241 19.869 -32.655 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.092 20.216 -31.972 1.00 0.00 C ATOM 0 H PHE A 36 -1.261 15.725 -35.580 1.00 0.00 H new ATOM 0 HA PHE A 36 0.258 15.663 -33.035 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.687 16.070 -33.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.133 15.583 -32.063 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.282 17.158 -31.648 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.382 18.280 -33.507 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.716 19.509 -31.078 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.951 20.631 -32.940 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.904 21.249 -31.720 1.00 0.00 H new ATOM 515 N ASP A 37 0.262 13.165 -33.627 1.00 0.00 N ATOM 516 CA ASP A 37 0.211 11.708 -33.591 1.00 0.00 C ATOM 517 C ASP A 37 1.020 11.165 -32.417 1.00 0.00 C ATOM 518 O ASP A 37 1.506 10.035 -32.456 1.00 0.00 O ATOM 519 CB ASP A 37 0.737 11.125 -34.903 1.00 0.00 C ATOM 520 CG ASP A 37 2.077 11.712 -35.301 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.023 11.635 -34.488 1.00 0.00 O ATOM 522 OD2 ASP A 37 2.181 12.248 -36.424 1.00 0.00 O ATOM 0 H ASP A 37 1.202 13.552 -33.714 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.829 11.408 -33.461 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.832 10.044 -34.804 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.012 11.310 -35.696 1.00 0.00 H new ATOM 527 N ASN A 38 1.162 11.978 -31.375 1.00 0.00 N ATOM 528 CA ASN A 38 1.914 11.579 -30.191 1.00 0.00 C ATOM 529 C ASN A 38 1.080 11.769 -28.928 1.00 0.00 C ATOM 530 O ASN A 38 1.233 12.760 -28.214 1.00 0.00 O ATOM 531 CB ASN A 38 3.209 12.387 -30.088 1.00 0.00 C ATOM 532 CG ASN A 38 2.994 13.862 -30.369 1.00 0.00 C ATOM 533 OD1 ASN A 38 1.916 14.402 -30.122 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.023 14.521 -30.890 1.00 0.00 N ATOM 0 H ASN A 38 0.766 12.917 -31.327 1.00 0.00 H new ATOM 0 HA ASN A 38 2.161 10.522 -30.286 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.630 12.268 -29.090 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.940 11.989 -30.792 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.938 15.515 -31.101 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.899 14.033 -31.079 1.00 0.00 H new ATOM 541 N VAL A 39 0.199 10.812 -28.657 1.00 0.00 N ATOM 542 CA VAL A 39 -0.658 10.872 -27.479 1.00 0.00 C ATOM 543 C VAL A 39 0.167 10.843 -26.197 1.00 0.00 C ATOM 544 O VAL A 39 -0.224 11.421 -25.184 1.00 0.00 O ATOM 545 CB VAL A 39 -1.664 9.706 -27.456 1.00 0.00 C ATOM 546 CG1 VAL A 39 -0.943 8.383 -27.250 1.00 0.00 C ATOM 547 CG2 VAL A 39 -2.710 9.927 -26.374 1.00 0.00 C ATOM 0 H VAL A 39 0.060 9.985 -29.238 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.206 11.813 -27.534 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.173 9.669 -28.419 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.670 7.571 -27.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.236 8.224 -28.064 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.406 8.405 -26.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.413 9.094 -26.372 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.220 9.991 -25.402 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.247 10.854 -26.572 1.00 0.00 H new ATOM 557 N GLN A 40 1.309 10.166 -26.251 1.00 0.00 N ATOM 558 CA GLN A 40 2.190 10.062 -25.093 1.00 0.00 C ATOM 559 C GLN A 40 2.796 11.417 -24.746 1.00 0.00 C ATOM 560 O GLN A 40 3.007 11.732 -23.575 1.00 0.00 O ATOM 561 CB GLN A 40 3.302 9.046 -25.362 1.00 0.00 C ATOM 562 CG GLN A 40 4.234 9.450 -26.493 1.00 0.00 C ATOM 563 CD GLN A 40 5.238 8.368 -26.837 1.00 0.00 C ATOM 564 OE1 GLN A 40 6.386 8.407 -26.394 1.00 0.00 O ATOM 565 NE2 GLN A 40 4.810 7.393 -27.630 1.00 0.00 N ATOM 0 H GLN A 40 1.646 9.682 -27.083 1.00 0.00 H new ATOM 0 HA GLN A 40 1.595 9.723 -24.245 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.886 8.910 -24.452 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.852 8.082 -25.600 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.644 9.687 -27.378 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.767 10.359 -26.213 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.850 7.400 -27.974 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.441 6.637 -27.895 1.00 0.00 H new ATOM 574 N PHE A 41 3.073 12.216 -25.771 1.00 0.00 N ATOM 575 CA PHE A 41 3.656 13.538 -25.574 1.00 0.00 C ATOM 576 C PHE A 41 2.567 14.593 -25.405 1.00 0.00 C ATOM 577 O PHE A 41 2.791 15.639 -24.796 1.00 0.00 O ATOM 578 CB PHE A 41 4.556 13.903 -26.757 1.00 0.00 C ATOM 579 CG PHE A 41 5.885 13.204 -26.737 1.00 0.00 C ATOM 580 CD1 PHE A 41 6.901 13.642 -25.904 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.118 12.108 -27.553 1.00 0.00 C ATOM 582 CE1 PHE A 41 8.125 13.000 -25.883 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.339 11.462 -27.536 1.00 0.00 C ATOM 584 CZ PHE A 41 8.345 11.910 -26.701 1.00 0.00 C ATOM 0 H PHE A 41 2.903 11.971 -26.746 1.00 0.00 H new ATOM 0 HA PHE A 41 4.256 13.511 -24.664 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.040 13.658 -27.685 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.721 14.980 -26.759 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.735 14.495 -25.263 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.336 11.755 -28.209 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.908 13.351 -25.227 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.507 10.608 -28.175 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.301 11.408 -26.688 1.00 0.00 H new ATOM 594 N MET A 42 1.387 14.310 -25.948 1.00 0.00 N ATOM 595 CA MET A 42 0.263 15.234 -25.856 1.00 0.00 C ATOM 596 C MET A 42 0.018 15.650 -24.409 1.00 0.00 C ATOM 597 O MET A 42 -0.453 16.755 -24.142 1.00 0.00 O ATOM 598 CB MET A 42 -1.000 14.593 -26.435 1.00 0.00 C ATOM 599 CG MET A 42 -1.386 15.137 -27.801 1.00 0.00 C ATOM 600 SD MET A 42 -3.059 14.670 -28.287 1.00 0.00 S ATOM 601 CE MET A 42 -2.715 13.476 -29.577 1.00 0.00 C ATOM 0 H MET A 42 1.185 13.449 -26.456 1.00 0.00 H new ATOM 0 HA MET A 42 0.509 16.124 -26.435 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.849 13.516 -26.511 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.827 14.751 -25.743 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.305 16.224 -27.791 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.680 14.771 -28.546 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.532 12.757 -29.634 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.617 13.991 -30.533 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.786 12.953 -29.350 1.00 0.00 H new ATOM 611 N GLY A 43 0.340 14.757 -23.478 1.00 0.00 N ATOM 612 CA GLY A 43 0.147 15.051 -22.070 1.00 0.00 C ATOM 613 C GLY A 43 1.343 15.751 -21.455 1.00 0.00 C ATOM 614 O GLY A 43 2.099 15.148 -20.693 1.00 0.00 O ATOM 0 H GLY A 43 0.731 13.835 -23.674 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.737 15.677 -21.950 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.044 14.123 -21.531 1.00 0.00 H new ATOM 618 N SER A 44 1.515 17.026 -21.786 1.00 0.00 N ATOM 619 CA SER A 44 2.631 17.807 -21.265 1.00 0.00 C ATOM 620 C SER A 44 2.399 19.299 -21.483 1.00 0.00 C ATOM 621 O SER A 44 2.083 20.033 -20.547 1.00 0.00 O ATOM 622 CB SER A 44 3.938 17.380 -21.935 1.00 0.00 C ATOM 623 OG SER A 44 4.635 16.437 -21.139 1.00 0.00 O ATOM 0 H SER A 44 0.896 17.541 -22.413 1.00 0.00 H new ATOM 0 HA SER A 44 2.703 17.621 -20.193 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.725 16.948 -22.913 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.567 18.254 -22.103 1.00 0.00 H new ATOM 0 HG SER A 44 4.006 15.767 -20.799 1.00 0.00 H new ATOM 629 N ASN A 45 2.558 19.741 -22.727 1.00 0.00 N ATOM 630 CA ASN A 45 2.366 21.145 -23.070 1.00 0.00 C ATOM 631 C ASN A 45 1.976 21.299 -24.537 1.00 0.00 C ATOM 632 O ASN A 45 2.757 21.793 -25.349 1.00 0.00 O ATOM 633 CB ASN A 45 3.642 21.940 -22.784 1.00 0.00 C ATOM 634 CG ASN A 45 4.898 21.134 -23.053 1.00 0.00 C ATOM 635 OD1 ASN A 45 5.097 20.624 -24.155 1.00 0.00 O ATOM 636 ND2 ASN A 45 5.752 21.016 -22.043 1.00 0.00 N ATOM 0 H ASN A 45 2.819 19.147 -23.514 1.00 0.00 H new ATOM 0 HA ASN A 45 1.556 21.536 -22.454 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.652 22.839 -23.400 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.638 22.266 -21.744 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.615 20.485 -22.164 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.545 21.456 -21.146 1.00 0.00 H new ATOM 643 N VAL A 46 0.762 20.871 -24.868 1.00 0.00 N ATOM 644 CA VAL A 46 0.267 20.962 -26.236 1.00 0.00 C ATOM 645 C VAL A 46 -1.186 20.509 -26.326 1.00 0.00 C ATOM 646 O VAL A 46 -1.644 19.695 -25.525 1.00 0.00 O ATOM 647 CB VAL A 46 1.118 20.113 -27.199 1.00 0.00 C ATOM 648 CG1 VAL A 46 0.939 18.632 -26.905 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.758 20.425 -28.644 1.00 0.00 C ATOM 0 H VAL A 46 0.103 20.458 -24.208 1.00 0.00 H new ATOM 0 HA VAL A 46 0.337 22.010 -26.528 1.00 0.00 H new ATOM 0 HB VAL A 46 2.168 20.365 -27.047 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.548 18.048 -27.595 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.250 18.424 -25.881 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.110 18.361 -27.027 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.369 19.816 -29.311 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.296 20.202 -28.813 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.943 21.480 -28.845 1.00 0.00 H new ATOM 659 N MET A 47 -1.907 21.043 -27.307 1.00 0.00 N ATOM 660 CA MET A 47 -3.309 20.692 -27.503 1.00 0.00 C ATOM 661 C MET A 47 -4.149 21.120 -26.304 1.00 0.00 C ATOM 662 O MET A 47 -4.824 20.300 -25.683 1.00 0.00 O ATOM 663 CB MET A 47 -3.453 19.186 -27.729 1.00 0.00 C ATOM 664 CG MET A 47 -4.704 18.805 -28.505 1.00 0.00 C ATOM 665 SD MET A 47 -4.550 19.127 -30.272 1.00 0.00 S ATOM 666 CE MET A 47 -5.588 20.577 -30.443 1.00 0.00 C ATOM 0 H MET A 47 -1.544 21.720 -27.978 1.00 0.00 H new ATOM 0 HA MET A 47 -3.670 21.221 -28.385 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.577 18.822 -28.266 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.467 18.682 -26.763 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.915 17.747 -28.349 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.555 19.361 -28.111 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.476 20.323 -31.022 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.887 20.929 -29.456 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.033 21.363 -30.955 1.00 0.00 H new ATOM 676 N GLU A 48 -4.102 22.410 -25.984 1.00 0.00 N ATOM 677 CA GLU A 48 -4.858 22.945 -24.858 1.00 0.00 C ATOM 678 C GLU A 48 -6.242 23.408 -25.304 1.00 0.00 C ATOM 679 O GLU A 48 -6.622 23.238 -26.462 1.00 0.00 O ATOM 680 CB GLU A 48 -4.102 24.109 -24.214 1.00 0.00 C ATOM 681 CG GLU A 48 -2.696 23.746 -23.764 1.00 0.00 C ATOM 682 CD GLU A 48 -1.912 24.949 -23.276 1.00 0.00 C ATOM 683 OE1 GLU A 48 -1.523 25.785 -24.118 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.688 25.053 -22.052 1.00 0.00 O ATOM 0 H GLU A 48 -3.549 23.103 -26.488 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.979 22.149 -24.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.046 24.933 -24.926 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.668 24.468 -23.355 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.753 23.006 -22.966 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.162 23.280 -24.592 1.00 0.00 H new ATOM 691 N ASP A 49 -6.991 23.994 -24.375 1.00 0.00 N ATOM 692 CA ASP A 49 -8.333 24.482 -24.671 1.00 0.00 C ATOM 693 C ASP A 49 -8.323 25.389 -25.898 1.00 0.00 C ATOM 694 O ASP A 49 -9.271 25.398 -26.682 1.00 0.00 O ATOM 695 CB ASP A 49 -8.901 25.237 -23.468 1.00 0.00 C ATOM 696 CG ASP A 49 -10.399 25.448 -23.571 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.000 24.960 -24.552 1.00 0.00 O ATOM 698 OD2 ASP A 49 -10.969 26.099 -22.672 1.00 0.00 O ATOM 0 H ASP A 49 -6.691 24.142 -23.411 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.968 23.621 -24.883 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.677 24.683 -22.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.406 26.204 -23.383 1.00 0.00 H new ATOM 703 N GLN A 50 -7.245 26.151 -26.055 1.00 0.00 N ATOM 704 CA GLN A 50 -7.113 27.063 -27.185 1.00 0.00 C ATOM 705 C GLN A 50 -6.718 26.309 -28.450 1.00 0.00 C ATOM 706 O GLN A 50 -7.326 26.487 -29.506 1.00 0.00 O ATOM 707 CB GLN A 50 -6.076 28.144 -26.877 1.00 0.00 C ATOM 708 CG GLN A 50 -6.671 29.535 -26.731 1.00 0.00 C ATOM 709 CD GLN A 50 -5.878 30.591 -27.476 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.167 31.393 -26.869 1.00 0.00 O ATOM 711 NE2 GLN A 50 -5.994 30.596 -28.799 1.00 0.00 N ATOM 0 H GLN A 50 -6.451 26.155 -25.414 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.081 27.535 -27.353 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.554 27.883 -25.956 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.331 28.158 -27.673 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.696 29.528 -27.101 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.715 29.798 -25.674 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.594 29.913 -29.261 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.483 31.283 -29.353 1.00 0.00 H new ATOM 720 N ASP A 51 -5.697 25.467 -28.336 1.00 0.00 N ATOM 721 CA ASP A 51 -5.221 24.685 -29.471 1.00 0.00 C ATOM 722 C ASP A 51 -6.360 23.885 -30.096 1.00 0.00 C ATOM 723 O ASP A 51 -6.404 23.693 -31.312 1.00 0.00 O ATOM 724 CB ASP A 51 -4.099 23.742 -29.033 1.00 0.00 C ATOM 725 CG ASP A 51 -2.943 24.479 -28.387 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.121 24.995 -27.264 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.859 24.538 -29.004 1.00 0.00 O ATOM 0 H ASP A 51 -5.183 25.308 -27.469 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.833 25.376 -30.220 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.497 23.010 -28.331 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.735 23.188 -29.898 1.00 0.00 H new ATOM 732 N LEU A 52 -7.279 23.420 -29.257 1.00 0.00 N ATOM 733 CA LEU A 52 -8.418 22.639 -29.726 1.00 0.00 C ATOM 734 C LEU A 52 -9.340 23.489 -30.595 1.00 0.00 C ATOM 735 O LEU A 52 -10.052 22.971 -31.456 1.00 0.00 O ATOM 736 CB LEU A 52 -9.198 22.073 -28.538 1.00 0.00 C ATOM 737 CG LEU A 52 -8.500 20.970 -27.741 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.166 20.787 -26.386 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.504 19.664 -28.521 1.00 0.00 C ATOM 0 H LEU A 52 -7.258 23.570 -28.248 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.038 21.815 -30.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.431 22.893 -27.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.148 21.683 -28.905 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.464 21.267 -27.576 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.656 19.998 -25.833 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.109 21.719 -25.824 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.211 20.512 -26.528 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.003 18.891 -27.938 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.532 19.361 -28.718 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.979 19.803 -29.466 1.00 0.00 H new ATOM 751 N LEU A 53 -9.321 24.797 -30.365 1.00 0.00 N ATOM 752 CA LEU A 53 -10.153 25.721 -31.128 1.00 0.00 C ATOM 753 C LEU A 53 -9.477 26.106 -32.440 1.00 0.00 C ATOM 754 O LEU A 53 -10.143 26.470 -33.409 1.00 0.00 O ATOM 755 CB LEU A 53 -10.445 26.976 -30.304 1.00 0.00 C ATOM 756 CG LEU A 53 -11.102 28.134 -31.055 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.428 27.697 -31.658 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.303 29.325 -30.128 1.00 0.00 C ATOM 0 H LEU A 53 -8.738 25.242 -29.656 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.093 25.219 -31.358 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.090 26.697 -29.471 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.508 27.332 -29.876 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.440 28.437 -31.866 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.880 28.535 -32.188 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.258 26.876 -32.354 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.097 27.366 -30.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.772 30.140 -30.679 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.944 29.034 -29.296 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.337 29.655 -29.744 1.00 0.00 H new ATOM 770 N GLU A 54 -8.150 26.022 -32.463 1.00 0.00 N ATOM 771 CA GLU A 54 -7.385 26.362 -33.657 1.00 0.00 C ATOM 772 C GLU A 54 -7.430 25.225 -34.674 1.00 0.00 C ATOM 773 O GLU A 54 -7.588 25.456 -35.873 1.00 0.00 O ATOM 774 CB GLU A 54 -5.933 26.672 -33.288 1.00 0.00 C ATOM 775 CG GLU A 54 -5.793 27.569 -32.069 1.00 0.00 C ATOM 776 CD GLU A 54 -4.888 28.759 -32.320 1.00 0.00 C ATOM 777 OE1 GLU A 54 -5.306 29.679 -33.053 1.00 0.00 O ATOM 778 OE2 GLU A 54 -3.760 28.769 -31.783 1.00 0.00 O ATOM 0 H GLU A 54 -7.584 25.722 -31.670 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.836 27.247 -34.106 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.406 25.736 -33.102 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.445 27.149 -34.138 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.779 27.924 -31.769 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.398 26.986 -31.237 1.00 0.00 H new ATOM 785 N ILE A 55 -7.291 23.997 -34.186 1.00 0.00 N ATOM 786 CA ILE A 55 -7.316 22.824 -35.051 1.00 0.00 C ATOM 787 C ILE A 55 -8.606 22.767 -35.863 1.00 0.00 C ATOM 788 O ILE A 55 -8.652 22.162 -36.933 1.00 0.00 O ATOM 789 CB ILE A 55 -7.176 21.522 -34.240 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.247 21.458 -33.149 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.785 21.425 -33.631 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.457 20.069 -32.590 1.00 0.00 C ATOM 0 H ILE A 55 -7.160 23.789 -33.196 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.466 22.914 -35.728 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.317 20.675 -34.912 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.968 22.129 -32.337 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.190 21.824 -33.555 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.701 20.500 -33.061 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.039 21.431 -34.425 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.617 22.275 -32.970 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.230 20.099 -31.822 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.767 19.398 -33.391 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.526 19.708 -32.154 1.00 0.00 H new ATOM 804 N GLY A 56 -9.652 23.405 -35.346 1.00 0.00 N ATOM 805 CA GLY A 56 -10.928 23.417 -36.037 1.00 0.00 C ATOM 806 C GLY A 56 -12.093 23.139 -35.108 1.00 0.00 C ATOM 807 O GLY A 56 -13.147 23.766 -35.219 1.00 0.00 O ATOM 0 H GLY A 56 -9.638 23.913 -34.462 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.071 24.387 -36.513 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.915 22.671 -36.831 1.00 0.00 H new ATOM 811 N ILE A 57 -11.905 22.196 -34.191 1.00 0.00 N ATOM 812 CA ILE A 57 -12.949 21.836 -33.240 1.00 0.00 C ATOM 813 C ILE A 57 -13.494 23.070 -32.530 1.00 0.00 C ATOM 814 O ILE A 57 -12.784 23.727 -31.767 1.00 0.00 O ATOM 815 CB ILE A 57 -12.432 20.839 -32.187 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.875 19.587 -32.868 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.543 20.470 -31.215 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.296 18.579 -31.900 1.00 0.00 C ATOM 0 H ILE A 57 -11.039 21.667 -34.087 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.748 21.365 -33.812 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.627 21.313 -31.625 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.670 19.112 -33.442 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.102 19.883 -33.577 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.161 19.764 -30.477 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.897 21.368 -30.709 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.368 20.013 -31.762 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.920 17.718 -32.453 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.479 19.037 -31.343 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.071 18.254 -31.206 1.00 0.00 H new ATOM 830 N LEU A 58 -14.761 23.381 -32.784 1.00 0.00 N ATOM 831 CA LEU A 58 -15.404 24.536 -32.167 1.00 0.00 C ATOM 832 C LEU A 58 -16.343 24.102 -31.046 1.00 0.00 C ATOM 833 O LEU A 58 -16.546 24.831 -30.076 1.00 0.00 O ATOM 834 CB LEU A 58 -16.180 25.333 -33.217 1.00 0.00 C ATOM 835 CG LEU A 58 -15.428 25.648 -34.511 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.271 26.533 -35.416 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.094 26.312 -34.204 1.00 0.00 C ATOM 0 H LEU A 58 -15.363 22.849 -33.413 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.626 25.169 -31.740 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.083 24.778 -33.471 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.499 26.273 -32.768 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.233 24.711 -35.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.720 26.747 -36.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.200 26.020 -35.663 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.498 27.467 -34.903 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.573 26.529 -35.136 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.266 27.241 -33.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.486 25.643 -33.595 1.00 0.00 H new ATOM 849 N ASN A 59 -16.912 22.909 -31.186 1.00 0.00 N ATOM 850 CA ASN A 59 -17.828 22.377 -30.183 1.00 0.00 C ATOM 851 C ASN A 59 -17.204 22.432 -28.792 1.00 0.00 C ATOM 852 O ASN A 59 -16.350 21.614 -28.451 1.00 0.00 O ATOM 853 CB ASN A 59 -18.211 20.936 -30.526 1.00 0.00 C ATOM 854 CG ASN A 59 -19.573 20.841 -31.186 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.452 20.115 -30.720 1.00 0.00 O ATOM 856 ND2 ASN A 59 -19.755 21.576 -32.276 1.00 0.00 N ATOM 0 H ASN A 59 -16.755 22.293 -31.983 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.726 22.995 -30.183 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.458 20.511 -31.190 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.209 20.336 -29.616 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.651 21.553 -32.763 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.999 22.163 -32.627 1.00 0.00 H new ATOM 863 N SER A 60 -17.637 23.402 -27.993 1.00 0.00 N ATOM 864 CA SER A 60 -17.119 23.566 -26.640 1.00 0.00 C ATOM 865 C SER A 60 -17.398 22.325 -25.797 1.00 0.00 C ATOM 866 O SER A 60 -16.588 21.937 -24.957 1.00 0.00 O ATOM 867 CB SER A 60 -17.742 24.797 -25.978 1.00 0.00 C ATOM 868 OG SER A 60 -19.144 24.643 -25.833 1.00 0.00 O ATOM 0 H SER A 60 -18.345 24.086 -28.259 1.00 0.00 H new ATOM 0 HA SER A 60 -16.040 23.704 -26.705 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.287 24.957 -25.000 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.530 25.683 -26.577 1.00 0.00 H new ATOM 0 HG SER A 60 -19.518 25.442 -25.406 1.00 0.00 H new ATOM 874 N GLY A 61 -18.552 21.707 -26.029 1.00 0.00 N ATOM 875 CA GLY A 61 -18.920 20.517 -25.284 1.00 0.00 C ATOM 876 C GLY A 61 -17.979 19.358 -25.543 1.00 0.00 C ATOM 877 O GLY A 61 -17.867 18.444 -24.725 1.00 0.00 O ATOM 0 H GLY A 61 -19.239 22.009 -26.720 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.925 20.746 -24.218 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.935 20.224 -25.552 1.00 0.00 H new ATOM 881 N HIS A 62 -17.301 19.392 -26.686 1.00 0.00 N ATOM 882 CA HIS A 62 -16.365 18.334 -27.052 1.00 0.00 C ATOM 883 C HIS A 62 -14.945 18.695 -26.626 1.00 0.00 C ATOM 884 O HIS A 62 -14.166 17.827 -26.231 1.00 0.00 O ATOM 885 CB HIS A 62 -16.410 18.084 -28.560 1.00 0.00 C ATOM 886 CG HIS A 62 -17.645 17.367 -29.011 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.994 17.233 -30.338 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.614 16.741 -28.303 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.126 16.558 -30.427 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.523 16.247 -29.206 1.00 0.00 N ATOM 0 H HIS A 62 -17.382 20.140 -27.375 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.661 17.423 -26.532 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.344 19.039 -29.081 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.535 17.502 -28.850 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.663 16.647 -27.228 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.640 16.304 -31.342 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.367 15.725 -28.972 1.00 0.00 H new ATOM 898 N ARG A 63 -14.615 19.980 -26.710 1.00 0.00 N ATOM 899 CA ARG A 63 -13.288 20.454 -26.335 1.00 0.00 C ATOM 900 C ARG A 63 -12.958 20.065 -24.897 1.00 0.00 C ATOM 901 O ARG A 63 -11.832 19.670 -24.595 1.00 0.00 O ATOM 902 CB ARG A 63 -13.202 21.973 -26.496 1.00 0.00 C ATOM 903 CG ARG A 63 -12.997 22.422 -27.934 1.00 0.00 C ATOM 904 CD ARG A 63 -12.456 23.841 -28.002 1.00 0.00 C ATOM 905 NE ARG A 63 -13.432 24.822 -27.533 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.107 26.042 -27.121 1.00 0.00 C ATOM 907 NH1 ARG A 63 -11.839 26.430 -27.120 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.052 26.878 -26.709 1.00 0.00 N ATOM 0 H ARG A 63 -15.248 20.711 -27.034 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.561 19.983 -26.997 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.117 22.423 -26.111 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.380 22.349 -25.886 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.305 21.743 -28.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.943 22.366 -28.472 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.551 23.913 -27.399 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.174 24.073 -29.029 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.416 24.555 -27.521 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.110 25.791 -27.436 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.593 27.368 -26.803 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.029 26.584 -26.709 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.802 27.815 -26.393 1.00 0.00 H new ATOM 922 N GLN A 64 -13.947 20.179 -24.016 1.00 0.00 N ATOM 923 CA GLN A 64 -13.760 19.841 -22.610 1.00 0.00 C ATOM 924 C GLN A 64 -13.427 18.361 -22.446 1.00 0.00 C ATOM 925 O GLN A 64 -12.450 18.004 -21.788 1.00 0.00 O ATOM 926 CB GLN A 64 -15.017 20.185 -21.810 1.00 0.00 C ATOM 927 CG GLN A 64 -15.190 21.674 -21.560 1.00 0.00 C ATOM 928 CD GLN A 64 -14.432 22.154 -20.338 1.00 0.00 C ATOM 929 OE1 GLN A 64 -14.638 21.656 -19.231 1.00 0.00 O ATOM 930 NE2 GLN A 64 -13.548 23.125 -20.533 1.00 0.00 N ATOM 0 H GLN A 64 -14.885 20.503 -24.251 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.924 20.427 -22.229 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.891 19.811 -22.343 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.981 19.666 -20.852 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.848 22.227 -22.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.250 21.897 -21.436 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.410 23.508 -21.468 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.007 23.488 -19.748 1.00 0.00 H new ATOM 939 N ARG A 65 -14.246 17.506 -23.049 1.00 0.00 N ATOM 940 CA ARG A 65 -14.039 16.065 -22.968 1.00 0.00 C ATOM 941 C ARG A 65 -12.613 15.697 -23.365 1.00 0.00 C ATOM 942 O ARG A 65 -11.985 14.841 -22.740 1.00 0.00 O ATOM 943 CB ARG A 65 -15.036 15.334 -23.869 1.00 0.00 C ATOM 944 CG ARG A 65 -16.177 14.677 -23.109 1.00 0.00 C ATOM 945 CD ARG A 65 -17.389 14.461 -24.001 1.00 0.00 C ATOM 946 NE ARG A 65 -18.607 14.242 -23.226 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.730 13.754 -23.742 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.788 13.435 -25.028 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.797 13.584 -22.972 1.00 0.00 N ATOM 0 H ARG A 65 -15.058 17.786 -23.599 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.200 15.758 -21.935 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.449 16.041 -24.588 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.505 14.572 -24.440 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.844 13.720 -22.707 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.456 15.300 -22.259 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.522 15.328 -24.648 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.213 13.603 -24.650 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.595 14.477 -22.233 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.970 13.564 -25.623 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.651 13.061 -25.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.756 13.828 -21.982 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.658 13.209 -23.370 1.00 0.00 H new ATOM 963 N ILE A 66 -12.108 16.348 -24.408 1.00 0.00 N ATOM 964 CA ILE A 66 -10.756 16.089 -24.888 1.00 0.00 C ATOM 965 C ILE A 66 -9.716 16.701 -23.957 1.00 0.00 C ATOM 966 O ILE A 66 -8.694 16.083 -23.657 1.00 0.00 O ATOM 967 CB ILE A 66 -10.548 16.645 -26.309 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.600 16.076 -27.263 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.146 16.321 -26.804 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.558 16.690 -28.644 1.00 0.00 C ATOM 0 H ILE A 66 -12.615 17.058 -24.936 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.629 15.007 -24.908 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.661 17.729 -26.279 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.456 14.999 -27.349 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.590 16.233 -26.835 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.014 16.720 -27.810 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.411 16.770 -26.136 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.007 15.240 -26.822 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.331 16.239 -29.266 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.732 17.764 -28.570 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.581 16.511 -29.092 1.00 0.00 H new ATOM 982 N LEU A 67 -9.983 17.920 -23.500 1.00 0.00 N ATOM 983 CA LEU A 67 -9.071 18.617 -22.600 1.00 0.00 C ATOM 984 C LEU A 67 -8.714 17.743 -21.402 1.00 0.00 C ATOM 985 O LEU A 67 -7.540 17.579 -21.070 1.00 0.00 O ATOM 986 CB LEU A 67 -9.698 19.927 -22.121 1.00 0.00 C ATOM 987 CG LEU A 67 -9.127 21.208 -22.732 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.963 22.411 -22.326 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.676 21.398 -22.315 1.00 0.00 C ATOM 0 H LEU A 67 -10.824 18.446 -23.738 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.156 18.839 -23.150 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.767 19.893 -22.331 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.588 19.984 -21.038 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.162 21.117 -23.818 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.542 23.313 -22.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.986 22.278 -22.677 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.961 22.506 -21.240 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.287 22.314 -22.759 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.616 21.467 -21.229 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.085 20.549 -22.658 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.734 17.183 -20.760 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.526 16.324 -19.600 1.00 0.00 C ATOM 1003 C GLN A 68 -8.641 15.134 -19.955 1.00 0.00 C ATOM 1004 O GLN A 68 -7.653 14.859 -19.276 1.00 0.00 O ATOM 1005 CB GLN A 68 -10.869 15.831 -19.057 1.00 0.00 C ATOM 1006 CG GLN A 68 -10.971 15.890 -17.542 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.201 15.179 -17.012 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -12.095 14.191 -16.284 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.376 15.679 -17.374 1.00 0.00 N ATOM 0 H GLN A 68 -10.712 17.308 -21.023 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.024 16.911 -18.831 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.669 16.431 -19.490 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.029 14.803 -19.384 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.080 15.441 -17.104 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.993 16.932 -17.223 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.417 16.499 -17.979 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.238 15.243 -17.047 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.003 14.431 -21.024 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.240 13.272 -21.470 1.00 0.00 C ATOM 1020 C ALA A 69 -6.761 13.612 -21.619 1.00 0.00 C ATOM 1021 O ALA A 69 -5.896 12.892 -21.118 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.798 12.747 -22.784 1.00 0.00 C ATOM 0 H ALA A 69 -9.820 14.644 -21.597 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.332 12.494 -20.712 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.219 11.881 -23.105 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.839 12.456 -22.647 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.736 13.527 -23.543 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.478 14.711 -22.310 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.103 15.145 -22.524 1.00 0.00 C ATOM 1030 C ILE A 70 -4.409 15.444 -21.199 1.00 0.00 C ATOM 1031 O ILE A 70 -3.184 15.370 -21.100 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.041 16.399 -23.417 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.701 16.121 -24.769 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.599 16.843 -23.606 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.960 17.370 -25.582 1.00 0.00 C ATOM 0 H ILE A 70 -7.182 15.317 -22.731 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.588 14.326 -23.025 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.587 17.205 -22.926 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.064 15.448 -25.344 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.645 15.602 -24.604 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.571 17.730 -24.239 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.160 17.076 -22.636 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.031 16.042 -24.079 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.429 17.098 -26.528 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.622 18.035 -25.027 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.016 17.879 -25.778 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.199 15.779 -20.185 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.660 16.087 -18.866 1.00 0.00 C ATOM 1049 C GLN A 71 -4.354 14.810 -18.091 1.00 0.00 C ATOM 1050 O GLN A 71 -3.298 14.686 -17.468 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.645 16.952 -18.078 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.328 18.438 -18.133 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.699 19.162 -16.854 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -4.891 19.270 -15.931 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -6.928 19.662 -16.791 1.00 0.00 N ATOM 0 H GLN A 71 -6.215 15.844 -20.251 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.730 16.640 -19.002 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.650 16.789 -18.466 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.649 16.628 -17.037 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.264 18.572 -18.326 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.862 18.889 -18.969 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.565 19.550 -17.579 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.234 20.158 -15.954 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.284 13.862 -18.132 1.00 0.00 N ATOM 1065 CA LEU A 72 -5.114 12.593 -17.433 1.00 0.00 C ATOM 1066 C LEU A 72 -3.965 11.789 -18.034 1.00 0.00 C ATOM 1067 O LEU A 72 -3.350 10.963 -17.358 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.407 11.778 -17.492 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.661 12.469 -16.956 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.858 11.534 -17.028 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.438 12.944 -15.527 1.00 0.00 C ATOM 0 H LEU A 72 -6.163 13.948 -18.642 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.876 12.810 -16.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.588 11.495 -18.529 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.257 10.855 -16.931 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.868 13.339 -17.579 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.741 12.043 -16.642 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.031 11.243 -18.064 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.662 10.645 -16.429 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.341 13.434 -15.161 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.206 12.089 -14.892 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.608 13.650 -15.504 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.679 12.038 -19.307 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.601 11.340 -20.000 1.00 0.00 C ATOM 1085 C LEU A 73 -1.300 11.424 -19.208 1.00 0.00 C ATOM 1086 O LEU A 73 -1.116 12.298 -18.361 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.401 11.929 -21.397 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.337 11.406 -22.487 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.146 12.189 -23.777 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -3.103 9.921 -22.723 1.00 0.00 C ATOM 0 H LEU A 73 -4.178 12.718 -19.881 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.881 10.291 -20.092 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.519 13.011 -21.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.373 11.738 -21.706 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.365 11.543 -22.152 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.821 11.802 -24.541 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.365 13.242 -23.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.116 12.085 -24.117 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.778 9.566 -23.502 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.071 9.760 -23.036 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.292 9.372 -21.801 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.374 10.496 -19.491 1.00 0.00 N ATOM 1103 CA PRO A 74 0.928 10.446 -18.819 1.00 0.00 C ATOM 1104 C PRO A 74 1.830 11.609 -19.216 1.00 0.00 C ATOM 1105 O PRO A 74 1.666 12.198 -20.284 1.00 0.00 O ATOM 1106 CB PRO A 74 1.523 9.120 -19.297 1.00 0.00 C ATOM 1107 CG PRO A 74 0.862 8.857 -20.606 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.526 9.425 -20.490 1.00 0.00 C ATOM 0 HA PRO A 74 0.831 10.519 -17.736 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.605 9.189 -19.407 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.325 8.318 -18.586 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.410 9.329 -21.422 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.830 7.789 -20.819 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.882 9.813 -21.444 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.243 8.671 -20.165 1.00 0.00 H new ATOM 1116 N SER A 75 2.784 11.935 -18.349 1.00 0.00 N ATOM 1117 CA SER A 75 3.711 13.031 -18.608 1.00 0.00 C ATOM 1118 C SER A 75 5.059 12.769 -17.944 1.00 0.00 C ATOM 1119 O SER A 75 5.774 13.701 -17.577 1.00 0.00 O ATOM 1120 CB SER A 75 3.127 14.351 -18.101 1.00 0.00 C ATOM 1121 OG SER A 75 1.713 14.296 -18.046 1.00 0.00 O ATOM 0 H SER A 75 2.935 11.456 -17.461 1.00 0.00 H new ATOM 0 HA SER A 75 3.863 13.100 -19.685 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.524 14.571 -17.110 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.437 15.165 -18.756 1.00 0.00 H new ATOM 0 HG SER A 75 1.341 14.563 -18.913 1.00 0.00 H new ATOM 1127 N GLY A 76 5.401 11.493 -17.794 1.00 0.00 N ATOM 1128 CA GLY A 76 6.662 11.130 -17.175 1.00 0.00 C ATOM 1129 C GLY A 76 6.592 11.151 -15.661 1.00 0.00 C ATOM 1130 O GLY A 76 7.195 11.999 -15.002 1.00 0.00 O ATOM 0 H GLY A 76 4.827 10.704 -18.090 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.953 10.134 -17.508 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.439 11.818 -17.509 1.00 0.00 H new ATOM 1134 N PRO A 77 5.839 10.201 -15.086 1.00 0.00 N ATOM 1135 CA PRO A 77 5.673 10.094 -13.634 1.00 0.00 C ATOM 1136 C PRO A 77 6.952 9.641 -12.937 1.00 0.00 C ATOM 1137 O PRO A 77 7.310 10.159 -11.879 1.00 0.00 O ATOM 1138 CB PRO A 77 4.577 9.037 -13.479 1.00 0.00 C ATOM 1139 CG PRO A 77 4.664 8.217 -14.720 1.00 0.00 C ATOM 1140 CD PRO A 77 5.093 9.159 -15.810 1.00 0.00 C ATOM 0 HA PRO A 77 5.426 11.054 -13.180 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.738 8.428 -12.590 1.00 0.00 H new ATOM 0 HB3 PRO A 77 3.594 9.498 -13.377 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.381 7.405 -14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.702 7.761 -14.955 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.717 8.659 -16.551 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.237 9.574 -16.342 1.00 0.00 H new ATOM 1148 N SER A 78 7.635 8.671 -13.536 1.00 0.00 N ATOM 1149 CA SER A 78 8.872 8.145 -12.970 1.00 0.00 C ATOM 1150 C SER A 78 8.640 7.607 -11.561 1.00 0.00 C ATOM 1151 O SER A 78 9.498 7.730 -10.688 1.00 0.00 O ATOM 1152 CB SER A 78 9.947 9.234 -12.940 1.00 0.00 C ATOM 1153 OG SER A 78 11.233 8.676 -12.732 1.00 0.00 O ATOM 0 H SER A 78 7.353 8.233 -14.413 1.00 0.00 H new ATOM 0 HA SER A 78 9.211 7.325 -13.602 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.935 9.787 -13.879 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.724 9.948 -12.147 1.00 0.00 H new ATOM 0 HG SER A 78 11.216 8.103 -11.937 1.00 0.00 H new ATOM 1159 N SER A 79 7.472 7.008 -11.349 1.00 0.00 N ATOM 1160 CA SER A 79 7.123 6.453 -10.046 1.00 0.00 C ATOM 1161 C SER A 79 6.789 4.969 -10.160 1.00 0.00 C ATOM 1162 O SER A 79 7.209 4.162 -9.332 1.00 0.00 O ATOM 1163 CB SER A 79 5.936 7.210 -9.447 1.00 0.00 C ATOM 1164 OG SER A 79 5.982 8.585 -9.790 1.00 0.00 O ATOM 0 H SER A 79 6.752 6.895 -12.062 1.00 0.00 H new ATOM 0 HA SER A 79 7.985 6.564 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.004 6.774 -9.806 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.942 7.102 -8.362 1.00 0.00 H new ATOM 0 HG SER A 79 5.212 9.046 -9.397 1.00 0.00 H new ATOM 1170 N GLY A 80 6.031 4.617 -11.194 1.00 0.00 N ATOM 1171 CA GLY A 80 5.653 3.231 -11.398 1.00 0.00 C ATOM 1172 C GLY A 80 4.292 3.091 -12.052 1.00 0.00 C ATOM 1173 O GLY A 80 3.679 2.025 -12.003 1.00 0.00 O ATOM 0 H GLY A 80 5.672 5.267 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.403 2.741 -12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.646 2.714 -10.438 1.00 0.00 H new TER 1177 GLY A 80