USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 860 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 57 HIS :FLIP no HD1:sc= -4.99! C(o=-5.4!,f=-4.1!) USER MOD Set 1.2: A 74 SER OG : rot -80:sc= 1.31 USER MOD Set 1.3: A 78 THR OG1 : rot -112:sc= -0.401 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 63:sc= 0.232 USER MOD Single : A 8 MET CE :methyl -160:sc= -0.127 (180deg=-0.754) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 79:sc= 0.63 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -4.05! C(o=-4.1!,f=-8.1!) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 0.0516 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 160:sc= -1.01 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 57:sc= 1.04 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.248 F(o=-1.7,f=-0.25) USER MOD Single : A 70 GLN : amide:sc= 1.15 K(o=1.2,f=-2.6!) USER MOD Single : A 75 SER OG : rot 54:sc= 0.833 USER MOD Single : A 76 ASN : amide:sc= -3.33 K(o=-3.3,f=-6!) USER MOD Single : A 81 ASN : amide:sc= -1.01 K(o=-1,f=-8.3!) USER MOD Single : A 82 SER OG : rot 40:sc= 0.176 USER MOD Single : A 83 ASN : amide:sc=-0.00403 X(o=-0.004,f=0) USER MOD Single : A 89 THR OG1 : rot -17:sc= -0.288! USER MOD Single : A 90 SER OG : rot 31:sc= 0.153 USER MOD Single : A 92 ASN : amide:sc= -0.0291 K(o=-0.029,f=-5.1!) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0.141 (180deg=0.136) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 64:sc= -2.24 USER MOD Single : A 106 SER OG : rot 180:sc= -0.766 USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0204 F(o=-2,f=-0.02) USER MOD Single : A 113 SER OG : rot 171:sc= 0.00584 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.117 2.564 2.407 1.00 0.00 N ATOM 2 CA GLY A 1 -31.301 3.122 1.079 1.00 0.00 C ATOM 3 C GLY A 1 -30.620 2.254 0.019 1.00 0.00 C ATOM 4 O GLY A 1 -29.442 2.443 -0.280 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.588 3.172 3.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.529 1.610 2.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.101 2.510 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.366 3.202 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.891 4.132 1.045 1.00 0.00 H new ATOM 8 N SER A 2 -31.391 1.320 -0.519 1.00 0.00 N ATOM 9 CA SER A 2 -30.876 0.422 -1.539 1.00 0.00 C ATOM 10 C SER A 2 -29.580 -0.231 -1.056 1.00 0.00 C ATOM 11 O SER A 2 -28.515 0.382 -1.106 1.00 0.00 O ATOM 12 CB SER A 2 -30.638 1.163 -2.856 1.00 0.00 C ATOM 13 OG SER A 2 -31.835 1.295 -3.619 1.00 0.00 O ATOM 0 H SER A 2 -32.368 1.166 -0.268 1.00 0.00 H new ATOM 0 HA SER A 2 -31.621 -0.353 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.231 2.152 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.891 0.628 -3.443 1.00 0.00 H new ATOM 0 HG SER A 2 -31.641 1.775 -4.451 1.00 0.00 H new ATOM 19 N SER A 3 -29.713 -1.468 -0.598 1.00 0.00 N ATOM 20 CA SER A 3 -28.566 -2.211 -0.105 1.00 0.00 C ATOM 21 C SER A 3 -28.588 -3.636 -0.660 1.00 0.00 C ATOM 22 O SER A 3 -29.592 -4.072 -1.221 1.00 0.00 O ATOM 23 CB SER A 3 -28.541 -2.237 1.424 1.00 0.00 C ATOM 24 OG SER A 3 -29.812 -2.576 1.972 1.00 0.00 O ATOM 0 H SER A 3 -30.598 -1.974 -0.558 1.00 0.00 H new ATOM 0 HA SER A 3 -27.661 -1.709 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.796 -2.957 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.233 -1.261 1.798 1.00 0.00 H new ATOM 0 HG SER A 3 -29.755 -2.584 2.950 1.00 0.00 H new ATOM 30 N GLY A 4 -27.469 -4.323 -0.485 1.00 0.00 N ATOM 31 CA GLY A 4 -27.347 -5.691 -0.961 1.00 0.00 C ATOM 32 C GLY A 4 -25.932 -6.226 -0.737 1.00 0.00 C ATOM 33 O GLY A 4 -25.584 -6.625 0.374 1.00 0.00 O ATOM 0 H GLY A 4 -26.638 -3.958 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.066 -6.326 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.592 -5.734 -2.022 1.00 0.00 H new ATOM 37 N SER A 5 -25.153 -6.217 -1.808 1.00 0.00 N ATOM 38 CA SER A 5 -23.783 -6.696 -1.742 1.00 0.00 C ATOM 39 C SER A 5 -23.763 -8.164 -1.312 1.00 0.00 C ATOM 40 O SER A 5 -24.649 -8.615 -0.588 1.00 0.00 O ATOM 41 CB SER A 5 -22.949 -5.849 -0.779 1.00 0.00 C ATOM 42 OG SER A 5 -21.713 -5.442 -1.360 1.00 0.00 O ATOM 0 H SER A 5 -25.445 -5.885 -2.727 1.00 0.00 H new ATOM 0 HA SER A 5 -23.341 -6.609 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.519 -4.968 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.753 -6.420 0.129 1.00 0.00 H new ATOM 0 HG SER A 5 -21.210 -4.902 -0.715 1.00 0.00 H new ATOM 48 N SER A 6 -22.742 -8.870 -1.775 1.00 0.00 N ATOM 49 CA SER A 6 -22.594 -10.277 -1.447 1.00 0.00 C ATOM 50 C SER A 6 -21.354 -10.849 -2.138 1.00 0.00 C ATOM 51 O SER A 6 -21.035 -10.468 -3.263 1.00 0.00 O ATOM 52 CB SER A 6 -23.839 -11.070 -1.851 1.00 0.00 C ATOM 53 OG SER A 6 -24.594 -11.492 -0.719 1.00 0.00 O ATOM 0 H SER A 6 -22.009 -8.493 -2.375 1.00 0.00 H new ATOM 0 HA SER A 6 -22.473 -10.365 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.466 -10.455 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.540 -11.942 -2.433 1.00 0.00 H new ATOM 0 HG SER A 6 -24.924 -10.707 -0.234 1.00 0.00 H new ATOM 59 N GLY A 7 -20.688 -11.753 -1.434 1.00 0.00 N ATOM 60 CA GLY A 7 -19.490 -12.380 -1.965 1.00 0.00 C ATOM 61 C GLY A 7 -18.230 -11.699 -1.427 1.00 0.00 C ATOM 62 O GLY A 7 -18.293 -10.945 -0.457 1.00 0.00 O ATOM 0 H GLY A 7 -20.956 -12.066 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.479 -13.437 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.500 -12.327 -3.054 1.00 0.00 H new ATOM 66 N MET A 8 -17.114 -11.987 -2.081 1.00 0.00 N ATOM 67 CA MET A 8 -15.842 -11.412 -1.681 1.00 0.00 C ATOM 68 C MET A 8 -14.718 -11.861 -2.617 1.00 0.00 C ATOM 69 O MET A 8 -14.289 -13.013 -2.570 1.00 0.00 O ATOM 70 CB MET A 8 -15.515 -11.841 -0.249 1.00 0.00 C ATOM 71 CG MET A 8 -15.457 -10.631 0.686 1.00 0.00 C ATOM 72 SD MET A 8 -14.767 -11.110 2.261 1.00 0.00 S ATOM 73 CE MET A 8 -15.978 -12.316 2.776 1.00 0.00 C ATOM 0 H MET A 8 -17.065 -12.612 -2.886 1.00 0.00 H new ATOM 0 HA MET A 8 -15.923 -10.326 -1.735 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.270 -12.543 0.105 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.559 -12.365 -0.232 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.851 -9.844 0.238 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.457 -10.222 0.827 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.916 -12.456 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.976 -11.965 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.783 -13.264 2.275 1.00 0.00 H new ATOM 83 N VAL A 9 -14.273 -10.928 -3.446 1.00 0.00 N ATOM 84 CA VAL A 9 -13.208 -11.213 -4.392 1.00 0.00 C ATOM 85 C VAL A 9 -12.042 -10.254 -4.145 1.00 0.00 C ATOM 86 O VAL A 9 -11.934 -9.221 -4.804 1.00 0.00 O ATOM 87 CB VAL A 9 -13.746 -11.145 -5.823 1.00 0.00 C ATOM 88 CG1 VAL A 9 -14.827 -12.203 -6.053 1.00 0.00 C ATOM 89 CG2 VAL A 9 -14.271 -9.744 -6.144 1.00 0.00 C ATOM 0 H VAL A 9 -14.631 -9.974 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.831 -12.226 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.921 -11.357 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.192 -12.133 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.407 -13.195 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.653 -12.036 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.648 -9.722 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.077 -9.491 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.463 -9.020 -6.039 1.00 0.00 H new ATOM 99 N THR A 10 -11.199 -10.630 -3.195 1.00 0.00 N ATOM 100 CA THR A 10 -10.045 -9.815 -2.853 1.00 0.00 C ATOM 101 C THR A 10 -10.493 -8.478 -2.259 1.00 0.00 C ATOM 102 O THR A 10 -11.176 -7.698 -2.922 1.00 0.00 O ATOM 103 CB THR A 10 -9.184 -9.665 -4.108 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.046 -10.996 -4.596 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.751 -9.235 -3.787 1.00 0.00 C ATOM 0 H THR A 10 -11.292 -11.488 -2.651 1.00 0.00 H new ATOM 0 HA THR A 10 -9.440 -10.290 -2.081 1.00 0.00 H new ATOM 0 HB THR A 10 -9.641 -8.935 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.502 -10.991 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.183 -9.143 -4.713 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.766 -8.274 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.282 -9.981 -3.146 1.00 0.00 H new ATOM 113 N PRO A 11 -10.081 -8.249 -0.984 1.00 0.00 N ATOM 114 CA PRO A 11 -10.433 -7.019 -0.294 1.00 0.00 C ATOM 115 C PRO A 11 -9.602 -5.843 -0.811 1.00 0.00 C ATOM 116 O PRO A 11 -8.527 -6.039 -1.376 1.00 0.00 O ATOM 117 CB PRO A 11 -10.195 -7.313 1.179 1.00 0.00 C ATOM 118 CG PRO A 11 -9.283 -8.528 1.219 1.00 0.00 C ATOM 119 CD PRO A 11 -9.272 -9.150 -0.168 1.00 0.00 C ATOM 0 HA PRO A 11 -11.468 -6.721 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.733 -6.461 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.135 -7.513 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.275 -8.239 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.638 -9.247 1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.257 -9.233 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.691 -10.156 -0.154 1.00 0.00 H new ATOM 127 N SER A 12 -10.132 -4.647 -0.599 1.00 0.00 N ATOM 128 CA SER A 12 -9.452 -3.440 -1.036 1.00 0.00 C ATOM 129 C SER A 12 -8.240 -3.168 -0.144 1.00 0.00 C ATOM 130 O SER A 12 -8.298 -3.376 1.068 1.00 0.00 O ATOM 131 CB SER A 12 -10.400 -2.239 -1.023 1.00 0.00 C ATOM 132 OG SER A 12 -11.697 -2.577 -1.510 1.00 0.00 O ATOM 0 H SER A 12 -11.024 -4.488 -0.131 1.00 0.00 H new ATOM 0 HA SER A 12 -9.113 -3.591 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.483 -1.854 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.981 -1.439 -1.633 1.00 0.00 H new ATOM 0 HG SER A 12 -12.198 -3.044 -0.809 1.00 0.00 H new ATOM 138 N LEU A 13 -7.170 -2.709 -0.776 1.00 0.00 N ATOM 139 CA LEU A 13 -5.946 -2.407 -0.054 1.00 0.00 C ATOM 140 C LEU A 13 -5.958 -0.937 0.370 1.00 0.00 C ATOM 141 O LEU A 13 -5.857 -0.044 -0.470 1.00 0.00 O ATOM 142 CB LEU A 13 -4.723 -2.797 -0.887 1.00 0.00 C ATOM 143 CG LEU A 13 -3.431 -3.045 -0.105 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.535 -1.805 -0.120 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.733 -3.516 1.318 1.00 0.00 C ATOM 0 H LEU A 13 -7.125 -2.539 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.885 -3.001 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.963 -3.700 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.538 -2.008 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.881 -3.846 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.624 -2.008 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.278 -1.554 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.064 -0.968 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.798 -3.685 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.315 -2.755 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.302 -4.445 1.281 1.00 0.00 H new ATOM 157 N ARG A 14 -6.083 -0.731 1.673 1.00 0.00 N ATOM 158 CA ARG A 14 -6.110 0.615 2.218 1.00 0.00 C ATOM 159 C ARG A 14 -4.843 0.883 3.034 1.00 0.00 C ATOM 160 O ARG A 14 -4.601 0.225 4.044 1.00 0.00 O ATOM 161 CB ARG A 14 -7.336 0.824 3.110 1.00 0.00 C ATOM 162 CG ARG A 14 -7.157 2.049 4.009 1.00 0.00 C ATOM 163 CD ARG A 14 -8.474 2.424 4.693 1.00 0.00 C ATOM 164 NE ARG A 14 -9.062 1.233 5.345 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.299 1.193 5.859 1.00 0.00 C ATOM 166 NH1 ARG A 14 -11.085 2.276 5.800 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.750 0.068 6.433 1.00 0.00 N ATOM 0 H ARG A 14 -6.167 -1.474 2.367 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.161 1.311 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.224 0.950 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.499 -0.062 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.397 1.843 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.798 2.890 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.300 3.205 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.172 2.829 3.960 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.491 0.390 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.742 3.132 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.026 2.245 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.152 -0.757 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.691 0.037 6.824 1.00 0.00 H new ATOM 181 N LEU A 15 -4.069 1.850 2.564 1.00 0.00 N ATOM 182 CA LEU A 15 -2.833 2.213 3.237 1.00 0.00 C ATOM 183 C LEU A 15 -3.087 3.418 4.145 1.00 0.00 C ATOM 184 O LEU A 15 -3.280 4.533 3.664 1.00 0.00 O ATOM 185 CB LEU A 15 -1.714 2.436 2.218 1.00 0.00 C ATOM 186 CG LEU A 15 -1.239 1.194 1.460 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.378 1.582 0.257 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.515 0.224 2.396 1.00 0.00 C ATOM 0 H LEU A 15 -4.274 2.393 1.725 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.493 1.398 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.054 3.173 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.859 2.870 2.736 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.115 0.674 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.054 0.681 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.961 2.204 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.495 2.138 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.188 -0.650 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.352 0.719 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.193 -0.089 3.190 1.00 0.00 H new ATOM 200 N VAL A 16 -3.078 3.152 5.443 1.00 0.00 N ATOM 201 CA VAL A 16 -3.305 4.200 6.423 1.00 0.00 C ATOM 202 C VAL A 16 -1.961 4.660 6.992 1.00 0.00 C ATOM 203 O VAL A 16 -1.187 3.849 7.497 1.00 0.00 O ATOM 204 CB VAL A 16 -4.274 3.709 7.501 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.519 4.792 8.553 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.591 3.238 6.881 1.00 0.00 C ATOM 0 H VAL A 16 -2.917 2.226 5.839 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.773 5.065 5.954 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.815 2.856 8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.211 4.417 9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.575 5.058 9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.946 5.674 8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.262 2.894 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.056 4.064 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.395 2.419 6.189 1.00 0.00 H new ATOM 216 N PHE A 17 -1.726 5.960 6.891 1.00 0.00 N ATOM 217 CA PHE A 17 -0.489 6.538 7.389 1.00 0.00 C ATOM 218 C PHE A 17 -0.582 6.821 8.890 1.00 0.00 C ATOM 219 O PHE A 17 -0.982 7.911 9.296 1.00 0.00 O ATOM 220 CB PHE A 17 -0.280 7.858 6.645 1.00 0.00 C ATOM 221 CG PHE A 17 0.214 7.690 5.207 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.439 7.149 4.968 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.570 8.082 4.168 1.00 0.00 C ATOM 224 CE1 PHE A 17 1.898 6.994 3.633 1.00 0.00 C ATOM 225 CE2 PHE A 17 -0.111 7.927 2.833 1.00 0.00 C ATOM 226 CZ PHE A 17 1.114 7.386 2.594 1.00 0.00 C ATOM 0 H PHE A 17 -2.371 6.630 6.472 1.00 0.00 H new ATOM 0 HA PHE A 17 0.337 5.845 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.220 8.409 6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.438 8.464 7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.062 6.837 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.543 8.512 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.871 6.564 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.734 8.239 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.464 7.268 1.579 1.00 0.00 H new ATOM 236 N VAL A 18 -0.204 5.821 9.673 1.00 0.00 N ATOM 237 CA VAL A 18 -0.239 5.949 11.120 1.00 0.00 C ATOM 238 C VAL A 18 0.917 6.841 11.577 1.00 0.00 C ATOM 239 O VAL A 18 0.801 7.551 12.575 1.00 0.00 O ATOM 240 CB VAL A 18 -0.218 4.563 11.768 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.572 3.867 11.618 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.908 3.704 11.189 1.00 0.00 C ATOM 0 H VAL A 18 0.128 4.919 9.333 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.164 6.428 11.439 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.025 4.694 12.833 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.530 2.884 12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.344 4.466 12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.808 3.754 10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.901 2.724 11.667 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.760 3.585 10.116 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.867 4.189 11.372 1.00 0.00 H new ATOM 252 N LYS A 19 2.006 6.775 10.825 1.00 0.00 N ATOM 253 CA LYS A 19 3.182 7.568 11.141 1.00 0.00 C ATOM 254 C LYS A 19 3.735 8.186 9.855 1.00 0.00 C ATOM 255 O LYS A 19 3.114 8.087 8.798 1.00 0.00 O ATOM 256 CB LYS A 19 4.204 6.728 11.909 1.00 0.00 C ATOM 257 CG LYS A 19 3.625 6.242 13.239 1.00 0.00 C ATOM 258 CD LYS A 19 4.527 6.642 14.408 1.00 0.00 C ATOM 259 CE LYS A 19 3.762 6.595 15.732 1.00 0.00 C ATOM 260 NZ LYS A 19 4.480 7.363 16.773 1.00 0.00 N ATOM 0 H LYS A 19 2.099 6.185 9.998 1.00 0.00 H new ATOM 0 HA LYS A 19 2.919 8.392 11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.504 5.872 11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.101 7.319 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.630 6.663 13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.512 5.158 13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.385 5.972 14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.916 7.647 14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.761 7.004 15.595 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.642 5.560 16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.947 7.321 17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.426 6.955 16.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.572 8.354 16.472 1.00 0.00 H new ATOM 274 N GLY A 20 4.897 8.809 9.988 1.00 0.00 N ATOM 275 CA GLY A 20 5.541 9.442 8.850 1.00 0.00 C ATOM 276 C GLY A 20 5.018 10.866 8.646 1.00 0.00 C ATOM 277 O GLY A 20 4.324 11.405 9.507 1.00 0.00 O ATOM 0 H GLY A 20 5.409 8.889 10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.620 9.466 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.361 8.852 7.951 1.00 0.00 H new ATOM 281 N PRO A 21 5.380 11.449 7.472 1.00 0.00 N ATOM 282 CA PRO A 21 4.955 12.799 7.145 1.00 0.00 C ATOM 283 C PRO A 21 3.479 12.827 6.743 1.00 0.00 C ATOM 284 O PRO A 21 2.784 13.811 6.990 1.00 0.00 O ATOM 285 CB PRO A 21 5.883 13.243 6.026 1.00 0.00 C ATOM 286 CG PRO A 21 6.485 11.970 5.453 1.00 0.00 C ATOM 287 CD PRO A 21 6.201 10.840 6.429 1.00 0.00 C ATOM 0 HA PRO A 21 5.023 13.479 7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.336 13.795 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.661 13.907 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.053 11.749 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.559 12.088 5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.677 10.018 5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.124 10.430 6.840 1.00 0.00 H new ATOM 295 N ARG A 22 3.044 11.735 6.131 1.00 0.00 N ATOM 296 CA ARG A 22 1.663 11.622 5.693 1.00 0.00 C ATOM 297 C ARG A 22 0.776 11.159 6.850 1.00 0.00 C ATOM 298 O ARG A 22 -0.433 11.002 6.686 1.00 0.00 O ATOM 299 CB ARG A 22 1.533 10.635 4.532 1.00 0.00 C ATOM 300 CG ARG A 22 2.455 11.024 3.375 1.00 0.00 C ATOM 301 CD ARG A 22 1.687 11.062 2.052 1.00 0.00 C ATOM 302 NE ARG A 22 0.441 11.845 2.211 1.00 0.00 N ATOM 303 CZ ARG A 22 0.385 13.183 2.174 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.504 13.895 1.983 1.00 0.00 N ATOM 305 NH2 ARG A 22 -0.789 13.809 2.328 1.00 0.00 N ATOM 0 H ARG A 22 3.624 10.921 5.928 1.00 0.00 H new ATOM 0 HA ARG A 22 1.340 12.607 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.779 9.630 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.500 10.610 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.898 12.000 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.276 10.310 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.308 11.506 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.450 10.048 1.730 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.429 11.334 2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.398 13.418 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.462 14.914 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.641 13.267 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.831 14.828 2.300 1.00 0.00 H new ATOM 319 N GLU A 23 1.410 10.953 7.995 1.00 0.00 N ATOM 320 CA GLU A 23 0.693 10.510 9.179 1.00 0.00 C ATOM 321 C GLU A 23 -0.664 11.211 9.270 1.00 0.00 C ATOM 322 O GLU A 23 -0.729 12.434 9.382 1.00 0.00 O ATOM 323 CB GLU A 23 1.520 10.752 10.443 1.00 0.00 C ATOM 324 CG GLU A 23 0.648 10.655 11.696 1.00 0.00 C ATOM 325 CD GLU A 23 1.482 10.858 12.962 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.665 10.454 12.933 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.919 11.413 13.930 1.00 0.00 O ATOM 0 H GLU A 23 2.413 11.085 8.128 1.00 0.00 H new ATOM 0 HA GLU A 23 0.522 9.437 9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.327 10.021 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.985 11.737 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.142 11.405 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.161 9.681 11.730 1.00 0.00 H new ATOM 334 N GLY A 24 -1.715 10.405 9.218 1.00 0.00 N ATOM 335 CA GLY A 24 -3.066 10.932 9.293 1.00 0.00 C ATOM 336 C GLY A 24 -3.782 10.799 7.947 1.00 0.00 C ATOM 337 O GLY A 24 -4.970 11.101 7.839 1.00 0.00 O ATOM 0 H GLY A 24 -1.657 9.391 9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.626 10.399 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.035 11.980 9.591 1.00 0.00 H new ATOM 341 N ASP A 25 -3.030 10.346 6.955 1.00 0.00 N ATOM 342 CA ASP A 25 -3.578 10.169 5.621 1.00 0.00 C ATOM 343 C ASP A 25 -3.837 8.681 5.374 1.00 0.00 C ATOM 344 O ASP A 25 -3.255 7.827 6.041 1.00 0.00 O ATOM 345 CB ASP A 25 -2.599 10.662 4.554 1.00 0.00 C ATOM 346 CG ASP A 25 -2.708 12.150 4.214 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.565 12.477 3.365 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.932 12.927 4.812 1.00 0.00 O ATOM 0 H ASP A 25 -2.045 10.096 7.048 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.502 10.744 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.583 10.455 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.756 10.084 3.643 1.00 0.00 H new ATOM 353 N ALA A 26 -4.710 8.417 4.413 1.00 0.00 N ATOM 354 CA ALA A 26 -5.053 7.048 4.069 1.00 0.00 C ATOM 355 C ALA A 26 -5.516 6.993 2.612 1.00 0.00 C ATOM 356 O ALA A 26 -6.074 7.960 2.097 1.00 0.00 O ATOM 357 CB ALA A 26 -6.117 6.529 5.039 1.00 0.00 C ATOM 0 H ALA A 26 -5.190 9.128 3.862 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.182 6.399 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.375 5.502 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.728 6.561 6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.007 7.154 4.971 1.00 0.00 H new ATOM 363 N LEU A 27 -5.267 5.851 1.988 1.00 0.00 N ATOM 364 CA LEU A 27 -5.651 5.657 0.600 1.00 0.00 C ATOM 365 C LEU A 27 -6.296 4.278 0.442 1.00 0.00 C ATOM 366 O LEU A 27 -6.275 3.469 1.368 1.00 0.00 O ATOM 367 CB LEU A 27 -4.453 5.885 -0.324 1.00 0.00 C ATOM 368 CG LEU A 27 -3.719 7.217 -0.154 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.222 7.056 -0.423 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.346 8.304 -1.030 1.00 0.00 C ATOM 0 H LEU A 27 -4.804 5.050 2.418 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.397 6.394 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.739 5.077 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.796 5.811 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.827 7.537 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.724 8.017 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.802 6.334 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.072 6.702 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.806 9.240 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.290 8.005 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.390 8.442 -0.748 1.00 0.00 H new ATOM 382 N ASP A 28 -6.852 4.053 -0.739 1.00 0.00 N ATOM 383 CA ASP A 28 -7.502 2.786 -1.031 1.00 0.00 C ATOM 384 C ASP A 28 -7.315 2.452 -2.512 1.00 0.00 C ATOM 385 O ASP A 28 -7.215 3.349 -3.347 1.00 0.00 O ATOM 386 CB ASP A 28 -9.004 2.860 -0.748 1.00 0.00 C ATOM 387 CG ASP A 28 -9.834 1.732 -1.365 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.741 0.604 -0.835 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.542 2.023 -2.353 1.00 0.00 O ATOM 0 H ASP A 28 -6.866 4.726 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.053 2.022 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.156 2.854 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.382 3.813 -1.118 1.00 0.00 H new ATOM 394 N TYR A 29 -7.275 1.158 -2.793 1.00 0.00 N ATOM 395 CA TYR A 29 -7.102 0.693 -4.159 1.00 0.00 C ATOM 396 C TYR A 29 -7.839 -0.628 -4.386 1.00 0.00 C ATOM 397 O TYR A 29 -8.064 -1.387 -3.445 1.00 0.00 O ATOM 398 CB TYR A 29 -5.600 0.464 -4.339 1.00 0.00 C ATOM 399 CG TYR A 29 -4.755 1.730 -4.190 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.542 2.274 -2.940 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.206 2.328 -5.306 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.746 3.466 -2.800 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.410 3.520 -5.166 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.219 4.030 -3.919 1.00 0.00 C ATOM 405 OH TYR A 29 -2.468 5.156 -3.787 1.00 0.00 O ATOM 0 H TYR A 29 -7.359 0.416 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.501 1.420 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.265 -0.272 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.424 0.036 -5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.972 1.806 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.373 1.902 -6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.572 3.902 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.975 3.998 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.156 5.447 -4.669 1.00 0.00 H new ATOM 415 N LYS A 30 -8.195 -0.863 -5.641 1.00 0.00 N ATOM 416 CA LYS A 30 -8.901 -2.079 -6.004 1.00 0.00 C ATOM 417 C LYS A 30 -7.916 -3.249 -6.025 1.00 0.00 C ATOM 418 O LYS A 30 -6.704 -3.044 -6.069 1.00 0.00 O ATOM 419 CB LYS A 30 -9.657 -1.887 -7.320 1.00 0.00 C ATOM 420 CG LYS A 30 -8.721 -2.053 -8.519 1.00 0.00 C ATOM 421 CD LYS A 30 -9.186 -3.196 -9.424 1.00 0.00 C ATOM 422 CE LYS A 30 -9.612 -2.669 -10.796 1.00 0.00 C ATOM 423 NZ LYS A 30 -10.952 -3.185 -11.156 1.00 0.00 N ATOM 0 H LYS A 30 -8.007 -0.231 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.660 -2.315 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.470 -2.610 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.110 -0.896 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.686 -1.124 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.708 -2.251 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.381 -3.921 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.020 -3.719 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.626 -1.579 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.885 -2.971 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.226 -2.818 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.927 -4.224 -11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.646 -2.876 -10.445 1.00 0.00 H new ATOM 437 N PRO A 31 -8.488 -4.483 -5.991 1.00 0.00 N ATOM 438 CA PRO A 31 -7.673 -5.686 -6.006 1.00 0.00 C ATOM 439 C PRO A 31 -7.108 -5.948 -7.404 1.00 0.00 C ATOM 440 O PRO A 31 -7.850 -5.963 -8.384 1.00 0.00 O ATOM 441 CB PRO A 31 -8.596 -6.792 -5.522 1.00 0.00 C ATOM 442 CG PRO A 31 -10.010 -6.262 -5.697 1.00 0.00 C ATOM 443 CD PRO A 31 -9.919 -4.764 -5.938 1.00 0.00 C ATOM 0 HA PRO A 31 -6.796 -5.608 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.447 -7.705 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.397 -7.038 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.501 -6.755 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.608 -6.470 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.413 -4.482 -6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.403 -4.204 -5.138 1.00 0.00 H new ATOM 451 N GLY A 32 -5.799 -6.148 -7.450 1.00 0.00 N ATOM 452 CA GLY A 32 -5.126 -6.408 -8.711 1.00 0.00 C ATOM 453 C GLY A 32 -4.457 -5.141 -9.248 1.00 0.00 C ATOM 454 O GLY A 32 -4.105 -5.072 -10.424 1.00 0.00 O ATOM 0 H GLY A 32 -5.187 -6.135 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.377 -7.188 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.845 -6.781 -9.441 1.00 0.00 H new ATOM 458 N SER A 33 -4.304 -4.170 -8.360 1.00 0.00 N ATOM 459 CA SER A 33 -3.684 -2.909 -8.730 1.00 0.00 C ATOM 460 C SER A 33 -2.370 -2.728 -7.968 1.00 0.00 C ATOM 461 O SER A 33 -2.360 -2.703 -6.738 1.00 0.00 O ATOM 462 CB SER A 33 -4.623 -1.732 -8.456 1.00 0.00 C ATOM 463 OG SER A 33 -4.995 -1.055 -9.653 1.00 0.00 O ATOM 0 H SER A 33 -4.599 -4.231 -7.385 1.00 0.00 H new ATOM 0 HA SER A 33 -3.476 -2.931 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.519 -2.093 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.136 -1.030 -7.779 1.00 0.00 H new ATOM 0 HG SER A 33 -5.596 -0.312 -9.435 1.00 0.00 H new ATOM 469 N THR A 34 -1.293 -2.605 -8.730 1.00 0.00 N ATOM 470 CA THR A 34 0.024 -2.427 -8.142 1.00 0.00 C ATOM 471 C THR A 34 0.192 -0.994 -7.636 1.00 0.00 C ATOM 472 O THR A 34 0.066 -0.041 -8.404 1.00 0.00 O ATOM 473 CB THR A 34 1.066 -2.829 -9.187 1.00 0.00 C ATOM 474 OG1 THR A 34 0.917 -4.242 -9.301 1.00 0.00 O ATOM 475 CG2 THR A 34 2.500 -2.646 -8.684 1.00 0.00 C ATOM 0 H THR A 34 -1.306 -2.625 -9.750 1.00 0.00 H new ATOM 0 HA THR A 34 0.157 -3.064 -7.268 1.00 0.00 H new ATOM 0 HB THR A 34 0.919 -2.238 -10.091 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.555 -4.586 -9.961 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.200 -2.946 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.666 -1.599 -8.430 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.657 -3.263 -7.799 1.00 0.00 H new ATOM 483 N ILE A 35 0.475 -0.885 -6.346 1.00 0.00 N ATOM 484 CA ILE A 35 0.662 0.417 -5.728 1.00 0.00 C ATOM 485 C ILE A 35 2.154 0.654 -5.490 1.00 0.00 C ATOM 486 O ILE A 35 2.742 0.071 -4.581 1.00 0.00 O ATOM 487 CB ILE A 35 -0.189 0.536 -4.462 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.676 0.366 -4.782 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.093 1.852 -3.733 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.258 -0.846 -4.053 1.00 0.00 C ATOM 0 H ILE A 35 0.579 -1.677 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 35 0.315 1.208 -6.393 1.00 0.00 H new ATOM 0 HB ILE A 35 0.090 -0.273 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.219 1.265 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.809 0.247 -5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.525 1.911 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.145 1.894 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.140 2.689 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.316 -0.944 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.728 -1.747 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.145 -0.712 -2.977 1.00 0.00 H new ATOM 502 N ARG A 36 2.725 1.511 -6.324 1.00 0.00 N ATOM 503 CA ARG A 36 4.138 1.833 -6.216 1.00 0.00 C ATOM 504 C ARG A 36 4.349 2.964 -5.208 1.00 0.00 C ATOM 505 O ARG A 36 4.082 4.126 -5.508 1.00 0.00 O ATOM 506 CB ARG A 36 4.712 2.252 -7.571 1.00 0.00 C ATOM 507 CG ARG A 36 4.767 1.065 -8.534 1.00 0.00 C ATOM 508 CD ARG A 36 5.082 1.529 -9.958 1.00 0.00 C ATOM 509 NE ARG A 36 6.547 1.557 -10.169 1.00 0.00 N ATOM 510 CZ ARG A 36 7.299 0.466 -10.366 1.00 0.00 C ATOM 511 NH1 ARG A 36 6.729 -0.747 -10.381 1.00 0.00 N ATOM 512 NH2 ARG A 36 8.621 0.587 -10.549 1.00 0.00 N ATOM 0 H ARG A 36 2.234 1.992 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 36 4.658 0.937 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.099 3.045 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.713 2.661 -7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.527 0.357 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.813 0.538 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.615 0.858 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.663 2.521 -10.127 1.00 0.00 H new ATOM 0 HE ARG A 36 7.013 2.464 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.723 -0.839 -10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.302 -1.578 -10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.055 1.510 -10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.193 -0.244 -10.699 1.00 0.00 H new ATOM 526 N VAL A 37 4.827 2.583 -4.032 1.00 0.00 N ATOM 527 CA VAL A 37 5.078 3.551 -2.977 1.00 0.00 C ATOM 528 C VAL A 37 6.526 4.036 -3.069 1.00 0.00 C ATOM 529 O VAL A 37 7.457 3.232 -3.034 1.00 0.00 O ATOM 530 CB VAL A 37 4.737 2.942 -1.616 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.942 3.960 -0.493 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.309 2.392 -1.604 1.00 0.00 C ATOM 0 H VAL A 37 5.047 1.618 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 37 4.435 4.423 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 37 5.418 2.109 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.692 3.501 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.983 4.283 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.297 4.822 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.092 1.965 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.606 3.199 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.210 1.620 -2.367 1.00 0.00 H new ATOM 542 N GLY A 38 6.671 5.348 -3.185 1.00 0.00 N ATOM 543 CA GLY A 38 7.990 5.949 -3.283 1.00 0.00 C ATOM 544 C GLY A 38 8.015 7.327 -2.618 1.00 0.00 C ATOM 545 O GLY A 38 7.174 7.627 -1.772 1.00 0.00 O ATOM 0 H GLY A 38 5.897 6.011 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.726 5.299 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.274 6.042 -4.331 1.00 0.00 H new ATOM 549 N ARG A 39 8.988 8.128 -3.027 1.00 0.00 N ATOM 550 CA ARG A 39 9.134 9.467 -2.482 1.00 0.00 C ATOM 551 C ARG A 39 8.481 10.492 -3.412 1.00 0.00 C ATOM 552 O ARG A 39 8.062 11.560 -2.968 1.00 0.00 O ATOM 553 CB ARG A 39 10.608 9.827 -2.292 1.00 0.00 C ATOM 554 CG ARG A 39 10.771 11.310 -1.952 1.00 0.00 C ATOM 555 CD ARG A 39 12.189 11.607 -1.458 1.00 0.00 C ATOM 556 NE ARG A 39 12.793 12.684 -2.273 1.00 0.00 N ATOM 557 CZ ARG A 39 13.874 13.387 -1.906 1.00 0.00 C ATOM 558 NH1 ARG A 39 14.475 13.130 -0.736 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.353 14.347 -2.709 1.00 0.00 N ATOM 0 H ARG A 39 9.683 7.875 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 39 8.640 9.485 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.035 9.218 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.163 9.596 -3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.555 11.915 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.049 11.593 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.163 11.904 -0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.800 10.707 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 39 12.360 12.905 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.110 12.400 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.297 13.665 -0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.895 14.543 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.175 14.882 -2.430 1.00 0.00 H new ATOM 573 N ILE A 40 8.416 10.132 -4.685 1.00 0.00 N ATOM 574 CA ILE A 40 7.822 11.007 -5.682 1.00 0.00 C ATOM 575 C ILE A 40 6.456 10.453 -6.091 1.00 0.00 C ATOM 576 O ILE A 40 6.126 9.311 -5.777 1.00 0.00 O ATOM 577 CB ILE A 40 8.781 11.209 -6.857 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.127 9.873 -7.518 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.032 11.973 -6.419 1.00 0.00 C ATOM 580 CD1 ILE A 40 9.991 10.085 -8.763 1.00 0.00 C ATOM 0 H ILE A 40 8.765 9.246 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 40 7.652 12.000 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 40 8.278 11.819 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.656 9.238 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.210 9.350 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.697 12.103 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.744 12.950 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.548 11.411 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.223 9.120 -9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.449 10.700 -9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.917 10.586 -8.482 1.00 0.00 H new ATOM 592 N VAL A 41 5.698 11.289 -6.785 1.00 0.00 N ATOM 593 CA VAL A 41 4.375 10.898 -7.240 1.00 0.00 C ATOM 594 C VAL A 41 4.439 10.527 -8.723 1.00 0.00 C ATOM 595 O VAL A 41 3.626 9.740 -9.206 1.00 0.00 O ATOM 596 CB VAL A 41 3.369 12.013 -6.945 1.00 0.00 C ATOM 597 CG1 VAL A 41 2.829 11.901 -5.518 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.989 13.390 -7.191 1.00 0.00 C ATOM 0 H VAL A 41 5.975 12.236 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 41 4.030 10.017 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 41 2.529 11.897 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.116 12.705 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.332 10.939 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.654 11.979 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.253 14.164 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.855 13.520 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.301 13.468 -8.232 1.00 0.00 H new ATOM 608 N ARG A 42 5.413 11.112 -9.405 1.00 0.00 N ATOM 609 CA ARG A 42 5.594 10.853 -10.823 1.00 0.00 C ATOM 610 C ARG A 42 5.260 9.395 -11.143 1.00 0.00 C ATOM 611 O ARG A 42 4.114 9.070 -11.452 1.00 0.00 O ATOM 612 CB ARG A 42 7.031 11.147 -11.257 1.00 0.00 C ATOM 613 CG ARG A 42 7.233 12.643 -11.510 1.00 0.00 C ATOM 614 CD ARG A 42 8.303 13.217 -10.580 1.00 0.00 C ATOM 615 NE ARG A 42 8.553 14.637 -10.911 1.00 0.00 N ATOM 616 CZ ARG A 42 9.302 15.462 -10.167 1.00 0.00 C ATOM 617 NH1 ARG A 42 9.879 15.013 -9.044 1.00 0.00 N ATOM 618 NH2 ARG A 42 9.474 16.736 -10.545 1.00 0.00 N ATOM 0 H ARG A 42 6.085 11.765 -9.002 1.00 0.00 H new ATOM 0 HA ARG A 42 4.919 11.512 -11.369 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.724 10.808 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.263 10.587 -12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.524 12.804 -12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.292 13.172 -11.357 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.980 13.128 -9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.226 12.645 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 42 8.128 15.012 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.748 14.043 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.449 15.641 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.035 17.078 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.044 17.364 -9.978 1.00 0.00 H new ATOM 632 N GLY A 43 6.281 8.555 -11.059 1.00 0.00 N ATOM 633 CA GLY A 43 6.110 7.139 -11.336 1.00 0.00 C ATOM 634 C GLY A 43 5.902 6.349 -10.042 1.00 0.00 C ATOM 635 O GLY A 43 6.705 5.481 -9.704 1.00 0.00 O ATOM 0 H GLY A 43 7.230 8.828 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.255 6.994 -11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.986 6.759 -11.862 1.00 0.00 H new ATOM 639 N ASN A 44 4.819 6.677 -9.354 1.00 0.00 N ATOM 640 CA ASN A 44 4.494 6.009 -8.105 1.00 0.00 C ATOM 641 C ASN A 44 3.051 6.337 -7.716 1.00 0.00 C ATOM 642 O ASN A 44 2.600 7.468 -7.886 1.00 0.00 O ATOM 643 CB ASN A 44 5.408 6.483 -6.973 1.00 0.00 C ATOM 644 CG ASN A 44 6.834 5.963 -7.166 1.00 0.00 C ATOM 645 OD1 ASN A 44 7.066 4.795 -7.432 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.774 6.892 -7.016 1.00 0.00 N ATOM 0 H ASN A 44 4.155 7.397 -9.638 1.00 0.00 H new ATOM 0 HA ASN A 44 4.627 4.937 -8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.416 7.572 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.017 6.137 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.758 6.644 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.511 7.852 -6.793 1.00 0.00 H new ATOM 653 N GLU A 45 2.367 5.326 -7.201 1.00 0.00 N ATOM 654 CA GLU A 45 0.984 5.492 -6.786 1.00 0.00 C ATOM 655 C GLU A 45 0.905 6.399 -5.556 1.00 0.00 C ATOM 656 O GLU A 45 0.062 7.293 -5.493 1.00 0.00 O ATOM 657 CB GLU A 45 0.327 4.138 -6.513 1.00 0.00 C ATOM 658 CG GLU A 45 -0.147 3.486 -7.813 1.00 0.00 C ATOM 659 CD GLU A 45 -1.075 4.422 -8.589 1.00 0.00 C ATOM 660 OE1 GLU A 45 -2.030 4.925 -7.958 1.00 0.00 O ATOM 661 OE2 GLU A 45 -0.810 4.613 -9.795 1.00 0.00 O ATOM 0 H GLU A 45 2.745 4.389 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 45 0.435 5.967 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.036 3.481 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.519 4.270 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.714 3.228 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.668 2.555 -7.588 1.00 0.00 H new ATOM 668 N ILE A 46 1.793 6.136 -4.608 1.00 0.00 N ATOM 669 CA ILE A 46 1.834 6.917 -3.384 1.00 0.00 C ATOM 670 C ILE A 46 3.245 7.474 -3.186 1.00 0.00 C ATOM 671 O ILE A 46 4.230 6.789 -3.457 1.00 0.00 O ATOM 672 CB ILE A 46 1.329 6.087 -2.202 1.00 0.00 C ATOM 673 CG1 ILE A 46 -0.053 5.499 -2.495 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.340 6.908 -0.911 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.315 4.261 -1.636 1.00 0.00 C ATOM 0 H ILE A 46 2.489 5.393 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 46 1.161 7.771 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 46 2.011 5.249 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.820 6.249 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.124 5.235 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.976 6.295 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.357 7.237 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.694 7.778 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.304 3.863 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.439 3.504 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.268 4.533 -0.582 1.00 0.00 H new ATOM 687 N ALA A 47 3.297 8.712 -2.715 1.00 0.00 N ATOM 688 CA ALA A 47 4.571 9.369 -2.478 1.00 0.00 C ATOM 689 C ALA A 47 4.593 9.933 -1.056 1.00 0.00 C ATOM 690 O ALA A 47 3.674 10.644 -0.653 1.00 0.00 O ATOM 691 CB ALA A 47 4.793 10.450 -3.537 1.00 0.00 C ATOM 0 H ALA A 47 2.478 9.277 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 47 5.391 8.656 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.749 10.943 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.799 9.994 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.990 11.185 -3.481 1.00 0.00 H new ATOM 697 N ILE A 48 5.651 9.594 -0.335 1.00 0.00 N ATOM 698 CA ILE A 48 5.804 10.057 1.033 1.00 0.00 C ATOM 699 C ILE A 48 7.023 10.978 1.122 1.00 0.00 C ATOM 700 O ILE A 48 8.117 10.609 0.697 1.00 0.00 O ATOM 701 CB ILE A 48 5.858 8.871 1.998 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.570 8.048 1.927 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.164 9.336 3.423 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.879 6.562 1.731 1.00 0.00 C ATOM 0 H ILE A 48 6.411 9.004 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 48 4.937 10.644 1.335 1.00 0.00 H new ATOM 0 HB ILE A 48 6.675 8.218 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.995 8.186 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.950 8.406 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.197 8.473 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.128 9.844 3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.386 10.022 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.946 6.000 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.433 6.425 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.478 6.202 2.567 1.00 0.00 H new ATOM 716 N LYS A 49 6.794 12.159 1.678 1.00 0.00 N ATOM 717 CA LYS A 49 7.859 13.135 1.828 1.00 0.00 C ATOM 718 C LYS A 49 8.508 12.968 3.203 1.00 0.00 C ATOM 719 O LYS A 49 8.354 13.822 4.074 1.00 0.00 O ATOM 720 CB LYS A 49 7.333 14.547 1.564 1.00 0.00 C ATOM 721 CG LYS A 49 6.965 14.729 0.090 1.00 0.00 C ATOM 722 CD LYS A 49 8.135 15.320 -0.699 1.00 0.00 C ATOM 723 CE LYS A 49 8.639 14.334 -1.755 1.00 0.00 C ATOM 724 NZ LYS A 49 8.035 14.632 -3.072 1.00 0.00 N ATOM 0 H LYS A 49 5.886 12.462 2.030 1.00 0.00 H new ATOM 0 HA LYS A 49 8.638 12.966 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.458 14.735 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.089 15.279 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.681 13.768 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.098 15.384 0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.822 16.246 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.946 15.574 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.725 14.391 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.392 13.315 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.823 13.742 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.156 15.170 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.701 15.194 -3.640 1.00 0.00 H new ATOM 738 N ASP A 50 9.221 11.861 3.355 1.00 0.00 N ATOM 739 CA ASP A 50 9.894 11.571 4.610 1.00 0.00 C ATOM 740 C ASP A 50 11.408 11.632 4.397 1.00 0.00 C ATOM 741 O ASP A 50 12.177 11.541 5.353 1.00 0.00 O ATOM 742 CB ASP A 50 9.543 10.168 5.111 1.00 0.00 C ATOM 743 CG ASP A 50 10.273 9.736 6.384 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.701 10.643 7.129 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.387 8.507 6.583 1.00 0.00 O ATOM 0 H ASP A 50 9.347 11.155 2.630 1.00 0.00 H new ATOM 0 HA ASP A 50 9.571 12.308 5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.469 10.121 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.765 9.450 4.321 1.00 0.00 H new ATOM 750 N ALA A 51 11.791 11.785 3.138 1.00 0.00 N ATOM 751 CA ALA A 51 13.199 11.860 2.788 1.00 0.00 C ATOM 752 C ALA A 51 13.793 10.450 2.777 1.00 0.00 C ATOM 753 O ALA A 51 14.329 10.006 1.762 1.00 0.00 O ATOM 754 CB ALA A 51 13.920 12.788 3.767 1.00 0.00 C ATOM 0 H ALA A 51 11.151 11.859 2.348 1.00 0.00 H new ATOM 0 HA ALA A 51 13.324 12.279 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 51 14.976 12.844 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.480 13.784 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.818 12.398 4.780 1.00 0.00 H new ATOM 760 N GLY A 52 13.677 9.784 3.917 1.00 0.00 N ATOM 761 CA GLY A 52 14.196 8.434 4.051 1.00 0.00 C ATOM 762 C GLY A 52 13.694 7.539 2.916 1.00 0.00 C ATOM 763 O GLY A 52 14.303 6.514 2.613 1.00 0.00 O ATOM 0 H GLY A 52 13.231 10.155 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.286 8.457 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.891 8.017 5.010 1.00 0.00 H new ATOM 767 N ILE A 53 12.587 7.958 2.320 1.00 0.00 N ATOM 768 CA ILE A 53 11.996 7.207 1.225 1.00 0.00 C ATOM 769 C ILE A 53 12.584 7.698 -0.100 1.00 0.00 C ATOM 770 O ILE A 53 12.827 8.891 -0.271 1.00 0.00 O ATOM 771 CB ILE A 53 10.469 7.283 1.286 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.948 6.763 2.628 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.836 6.550 0.102 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.488 7.168 2.842 1.00 0.00 C ATOM 0 H ILE A 53 12.084 8.808 2.575 1.00 0.00 H new ATOM 0 HA ILE A 53 12.243 6.149 1.311 1.00 0.00 H new ATOM 0 HB ILE A 53 10.175 8.330 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.037 5.677 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.561 7.158 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.750 6.619 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.171 7.006 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.135 5.502 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.142 6.786 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.407 8.255 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.874 6.752 2.043 1.00 0.00 H new ATOM 786 N SER A 54 12.795 6.752 -1.003 1.00 0.00 N ATOM 787 CA SER A 54 13.349 7.073 -2.308 1.00 0.00 C ATOM 788 C SER A 54 12.264 6.954 -3.380 1.00 0.00 C ATOM 789 O SER A 54 11.267 6.261 -3.186 1.00 0.00 O ATOM 790 CB SER A 54 14.530 6.160 -2.644 1.00 0.00 C ATOM 791 OG SER A 54 15.508 6.825 -3.439 1.00 0.00 O ATOM 0 H SER A 54 12.592 5.763 -0.857 1.00 0.00 H new ATOM 0 HA SER A 54 13.714 8.100 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.991 5.808 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.168 5.280 -3.175 1.00 0.00 H new ATOM 0 HG SER A 54 16.247 6.210 -3.631 1.00 0.00 H new ATOM 797 N THR A 55 12.496 7.641 -4.489 1.00 0.00 N ATOM 798 CA THR A 55 11.552 7.621 -5.593 1.00 0.00 C ATOM 799 C THR A 55 11.025 6.203 -5.820 1.00 0.00 C ATOM 800 O THR A 55 9.816 5.989 -5.891 1.00 0.00 O ATOM 801 CB THR A 55 12.246 8.215 -6.821 1.00 0.00 C ATOM 802 OG1 THR A 55 12.032 9.618 -6.696 1.00 0.00 O ATOM 803 CG2 THR A 55 11.542 7.845 -8.128 1.00 0.00 C ATOM 0 H THR A 55 13.324 8.215 -4.646 1.00 0.00 H new ATOM 0 HA THR A 55 10.674 8.228 -5.372 1.00 0.00 H new ATOM 0 HB THR A 55 13.279 7.870 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.691 10.099 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.075 8.292 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.531 6.761 -8.241 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.518 8.218 -8.108 1.00 0.00 H new ATOM 811 N LYS A 56 11.960 5.269 -5.926 1.00 0.00 N ATOM 812 CA LYS A 56 11.605 3.877 -6.143 1.00 0.00 C ATOM 813 C LYS A 56 12.011 3.055 -4.918 1.00 0.00 C ATOM 814 O LYS A 56 12.904 2.212 -5.000 1.00 0.00 O ATOM 815 CB LYS A 56 12.210 3.368 -7.453 1.00 0.00 C ATOM 816 CG LYS A 56 11.191 3.441 -8.592 1.00 0.00 C ATOM 817 CD LYS A 56 11.715 4.306 -9.741 1.00 0.00 C ATOM 818 CE LYS A 56 10.560 4.923 -10.533 1.00 0.00 C ATOM 819 NZ LYS A 56 10.617 4.495 -11.949 1.00 0.00 N ATOM 0 H LYS A 56 12.962 5.449 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 56 10.526 3.772 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.088 3.962 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.547 2.339 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.975 2.437 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.253 3.853 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.352 5.097 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.333 3.701 -10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.609 4.623 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.610 6.010 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.827 4.922 -12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.517 4.803 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.547 3.459 -12.002 1.00 0.00 H new ATOM 833 N HIS A 57 11.337 3.330 -3.811 1.00 0.00 N ATOM 834 CA HIS A 57 11.616 2.626 -2.571 1.00 0.00 C ATOM 835 C HIS A 57 11.176 1.167 -2.698 1.00 0.00 C ATOM 836 O HIS A 57 12.002 0.257 -2.635 1.00 0.00 O ATOM 837 CB HIS A 57 10.968 3.340 -1.383 1.00 0.00 C ATOM 838 CG HIS A 57 11.278 2.713 -0.045 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.289 1.406 0.346 1.00 0.00 N flip ATOM 840 CD2 HIS A 57 11.627 3.457 1.068 1.00 0.00 C flip ATOM 841 CE1 HIS A 57 11.627 1.355 1.628 1.00 0.00 C flip ATOM 842 NE2 HIS A 57 11.836 2.625 2.078 1.00 0.00 N flip ATOM 0 H HIS A 57 10.598 4.031 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 57 12.689 2.629 -2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.300 4.378 -1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.887 3.352 -1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.714 4.533 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.721 0.455 2.218 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.106 2.888 3.026 1.00 0.00 H new ATOM 850 N LEU A 58 9.875 0.988 -2.876 1.00 0.00 N ATOM 851 CA LEU A 58 9.314 -0.345 -3.012 1.00 0.00 C ATOM 852 C LEU A 58 8.006 -0.266 -3.802 1.00 0.00 C ATOM 853 O LEU A 58 7.514 0.825 -4.086 1.00 0.00 O ATOM 854 CB LEU A 58 9.166 -1.007 -1.641 1.00 0.00 C ATOM 855 CG LEU A 58 8.425 -0.192 -0.579 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.174 0.465 -1.167 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.100 -1.051 0.644 1.00 0.00 C ATOM 0 H LEU A 58 9.193 1.745 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 58 9.990 -0.986 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.645 -1.955 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.161 -1.240 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 58 9.083 0.610 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.666 1.038 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.461 1.131 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.503 -0.305 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.574 -0.447 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.470 -1.888 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.025 -1.431 1.078 1.00 0.00 H new ATOM 869 N ARG A 59 7.480 -1.436 -4.134 1.00 0.00 N ATOM 870 CA ARG A 59 6.239 -1.512 -4.885 1.00 0.00 C ATOM 871 C ARG A 59 5.277 -2.500 -4.222 1.00 0.00 C ATOM 872 O ARG A 59 5.707 -3.503 -3.653 1.00 0.00 O ATOM 873 CB ARG A 59 6.494 -1.950 -6.328 1.00 0.00 C ATOM 874 CG ARG A 59 6.762 -3.454 -6.406 1.00 0.00 C ATOM 875 CD ARG A 59 7.403 -3.828 -7.744 1.00 0.00 C ATOM 876 NE ARG A 59 7.860 -5.236 -7.710 1.00 0.00 N ATOM 877 CZ ARG A 59 8.126 -5.965 -8.802 1.00 0.00 C ATOM 878 NH1 ARG A 59 7.981 -5.426 -10.020 1.00 0.00 N ATOM 879 NH2 ARG A 59 8.536 -7.235 -8.675 1.00 0.00 N ATOM 0 H ARG A 59 7.891 -2.339 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 59 5.795 -0.517 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.632 -1.698 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.346 -1.404 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.418 -3.753 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.827 -4.001 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.685 -3.689 -8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.246 -3.168 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 59 7.980 -5.678 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.668 -4.460 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.184 -5.982 -10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.645 -7.645 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.739 -7.791 -9.506 1.00 0.00 H new ATOM 893 N ILE A 60 3.994 -2.184 -4.318 1.00 0.00 N ATOM 894 CA ILE A 60 2.968 -3.031 -3.735 1.00 0.00 C ATOM 895 C ILE A 60 2.128 -3.650 -4.853 1.00 0.00 C ATOM 896 O ILE A 60 1.734 -2.961 -5.793 1.00 0.00 O ATOM 897 CB ILE A 60 2.146 -2.249 -2.708 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.016 -1.810 -1.529 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.928 -3.055 -2.253 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.205 -0.987 -0.526 1.00 0.00 C ATOM 0 H ILE A 60 3.641 -1.352 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 60 3.422 -3.855 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 60 1.773 -1.344 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.432 -2.687 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.857 -1.220 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.361 -2.477 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.295 -3.275 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.259 -3.989 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.847 -0.687 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.811 -0.099 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.379 -1.588 -0.146 1.00 0.00 H new ATOM 912 N GLU A 61 1.877 -4.944 -4.715 1.00 0.00 N ATOM 913 CA GLU A 61 1.090 -5.663 -5.702 1.00 0.00 C ATOM 914 C GLU A 61 0.258 -6.754 -5.025 1.00 0.00 C ATOM 915 O GLU A 61 0.467 -7.062 -3.853 1.00 0.00 O ATOM 916 CB GLU A 61 1.986 -6.255 -6.792 1.00 0.00 C ATOM 917 CG GLU A 61 2.990 -7.245 -6.200 1.00 0.00 C ATOM 918 CD GLU A 61 2.533 -8.688 -6.422 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.377 -8.981 -6.049 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.351 -9.466 -6.959 1.00 0.00 O ATOM 0 H GLU A 61 2.205 -5.513 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 61 0.410 -4.958 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.372 -6.758 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.519 -5.454 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.968 -7.095 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.106 -7.057 -5.133 1.00 0.00 H new ATOM 927 N SER A 62 -0.668 -7.309 -5.793 1.00 0.00 N ATOM 928 CA SER A 62 -1.533 -8.359 -5.282 1.00 0.00 C ATOM 929 C SER A 62 -1.516 -9.559 -6.231 1.00 0.00 C ATOM 930 O SER A 62 -1.476 -9.392 -7.449 1.00 0.00 O ATOM 931 CB SER A 62 -2.964 -7.851 -5.094 1.00 0.00 C ATOM 932 OG SER A 62 -3.928 -8.875 -5.326 1.00 0.00 O ATOM 0 H SER A 62 -0.838 -7.051 -6.765 1.00 0.00 H new ATOM 0 HA SER A 62 -1.156 -8.669 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.082 -7.465 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.146 -7.020 -5.775 1.00 0.00 H new ATOM 0 HG SER A 62 -3.754 -9.630 -4.726 1.00 0.00 H new ATOM 938 N ASP A 63 -1.548 -10.743 -5.637 1.00 0.00 N ATOM 939 CA ASP A 63 -1.536 -11.971 -6.414 1.00 0.00 C ATOM 940 C ASP A 63 -2.246 -13.074 -5.627 1.00 0.00 C ATOM 941 O ASP A 63 -2.312 -13.022 -4.400 1.00 0.00 O ATOM 942 CB ASP A 63 -0.105 -12.434 -6.692 1.00 0.00 C ATOM 943 CG ASP A 63 0.011 -13.745 -7.472 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.261 -13.706 -8.691 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.369 -14.757 -6.831 1.00 0.00 O ATOM 0 H ASP A 63 -1.582 -10.878 -4.627 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.041 -11.776 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.412 -11.652 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.415 -12.547 -5.741 1.00 0.00 H new ATOM 950 N SER A 64 -2.759 -14.047 -6.365 1.00 0.00 N ATOM 951 CA SER A 64 -3.461 -15.162 -5.751 1.00 0.00 C ATOM 952 C SER A 64 -4.464 -14.643 -4.718 1.00 0.00 C ATOM 953 O SER A 64 -4.388 -14.997 -3.543 1.00 0.00 O ATOM 954 CB SER A 64 -2.481 -16.137 -5.096 1.00 0.00 C ATOM 955 OG SER A 64 -2.815 -17.495 -5.371 1.00 0.00 O ATOM 0 H SER A 64 -2.703 -14.087 -7.383 1.00 0.00 H new ATOM 0 HA SER A 64 -3.998 -15.700 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.472 -15.932 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.476 -15.976 -4.018 1.00 0.00 H new ATOM 0 HG SER A 64 -2.165 -18.086 -4.937 1.00 0.00 H new ATOM 961 N GLY A 65 -5.380 -13.813 -5.195 1.00 0.00 N ATOM 962 CA GLY A 65 -6.397 -13.243 -4.328 1.00 0.00 C ATOM 963 C GLY A 65 -5.799 -12.830 -2.981 1.00 0.00 C ATOM 964 O GLY A 65 -6.422 -13.019 -1.937 1.00 0.00 O ATOM 0 H GLY A 65 -5.439 -13.522 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.848 -12.376 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.194 -13.970 -4.169 1.00 0.00 H new ATOM 968 N ASN A 66 -4.599 -12.272 -3.048 1.00 0.00 N ATOM 969 CA ASN A 66 -3.911 -11.831 -1.847 1.00 0.00 C ATOM 970 C ASN A 66 -3.006 -10.645 -2.190 1.00 0.00 C ATOM 971 O ASN A 66 -2.770 -10.359 -3.362 1.00 0.00 O ATOM 972 CB ASN A 66 -3.033 -12.945 -1.274 1.00 0.00 C ATOM 973 CG ASN A 66 -3.880 -13.991 -0.546 1.00 0.00 C ATOM 974 OD1 ASN A 66 -3.881 -13.860 0.777 1.00 0.00 O flip ATOM 975 ND2 ASN A 66 -4.492 -14.859 -1.146 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.086 -12.115 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.664 -11.551 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.473 -13.421 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.303 -12.520 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.448 -14.903 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.048 -15.541 -0.630 1.00 0.00 H new ATOM 982 N TRP A 67 -2.525 -9.988 -1.145 1.00 0.00 N ATOM 983 CA TRP A 67 -1.651 -8.840 -1.320 1.00 0.00 C ATOM 984 C TRP A 67 -0.258 -9.225 -0.817 1.00 0.00 C ATOM 985 O TRP A 67 -0.128 -9.998 0.130 1.00 0.00 O ATOM 986 CB TRP A 67 -2.221 -7.606 -0.619 1.00 0.00 C ATOM 987 CG TRP A 67 -3.477 -7.038 -1.281 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.749 -7.419 -1.101 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.531 -5.963 -2.243 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.616 -6.673 -1.873 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.851 -5.759 -2.589 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.499 -5.189 -2.801 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.261 -4.784 -3.507 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -2.925 -4.219 -3.716 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.250 -4.001 -4.076 1.00 0.00 C ATOM 0 H TRP A 67 -2.724 -10.229 -0.174 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.577 -8.568 -2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.452 -7.863 0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.455 -6.831 -0.591 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.057 -8.211 -0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.630 -6.773 -1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.460 -5.331 -2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.301 -4.644 -3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.171 -3.596 -4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.498 -3.231 -4.791 1.00 0.00 H new ATOM 1006 N VAL A 68 0.748 -8.667 -1.474 1.00 0.00 N ATOM 1007 CA VAL A 68 2.126 -8.941 -1.105 1.00 0.00 C ATOM 1008 C VAL A 68 2.941 -7.649 -1.195 1.00 0.00 C ATOM 1009 O VAL A 68 2.562 -6.720 -1.907 1.00 0.00 O ATOM 1010 CB VAL A 68 2.688 -10.064 -1.980 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.675 -11.200 -2.131 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.122 -9.530 -3.346 1.00 0.00 C ATOM 0 H VAL A 68 0.636 -8.026 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 68 2.183 -9.290 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 68 3.571 -10.467 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.099 -11.985 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.437 -11.608 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.766 -10.817 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.517 -10.348 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.264 -9.088 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.894 -8.772 -3.212 1.00 0.00 H new ATOM 1022 N ILE A 69 4.045 -7.631 -0.462 1.00 0.00 N ATOM 1023 CA ILE A 69 4.916 -6.469 -0.450 1.00 0.00 C ATOM 1024 C ILE A 69 6.351 -6.908 -0.748 1.00 0.00 C ATOM 1025 O ILE A 69 6.769 -7.991 -0.340 1.00 0.00 O ATOM 1026 CB ILE A 69 4.768 -5.702 0.866 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.579 -4.405 0.839 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.139 -6.586 2.059 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.810 -3.264 1.509 1.00 0.00 C ATOM 0 H ILE A 69 4.356 -8.403 0.128 1.00 0.00 H new ATOM 0 HA ILE A 69 4.628 -5.769 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 69 3.721 -5.424 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.530 -4.556 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.809 -4.137 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.026 -6.018 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.483 -7.456 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.173 -6.915 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.408 -2.354 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.870 -3.100 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.603 -3.525 2.547 1.00 0.00 H new ATOM 1041 N GLN A 70 7.065 -6.046 -1.457 1.00 0.00 N ATOM 1042 CA GLN A 70 8.444 -6.333 -1.814 1.00 0.00 C ATOM 1043 C GLN A 70 9.286 -5.057 -1.745 1.00 0.00 C ATOM 1044 O GLN A 70 8.952 -4.054 -2.374 1.00 0.00 O ATOM 1045 CB GLN A 70 8.529 -6.972 -3.201 1.00 0.00 C ATOM 1046 CG GLN A 70 9.986 -7.128 -3.644 1.00 0.00 C ATOM 1047 CD GLN A 70 10.081 -7.932 -4.942 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.225 -7.864 -5.809 1.00 0.00 O ATOM 1049 NE2 GLN A 70 11.167 -8.695 -5.027 1.00 0.00 N ATOM 0 H GLN A 70 6.715 -5.149 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 70 8.844 -7.048 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.043 -7.948 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.990 -6.358 -3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.433 -6.145 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.557 -7.627 -2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.844 -8.705 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.323 -9.270 -5.855 1.00 0.00 H new ATOM 1058 N ASP A 71 10.361 -5.137 -0.974 1.00 0.00 N ATOM 1059 CA ASP A 71 11.253 -4.001 -0.815 1.00 0.00 C ATOM 1060 C ASP A 71 12.238 -3.964 -1.984 1.00 0.00 C ATOM 1061 O ASP A 71 13.127 -4.809 -2.079 1.00 0.00 O ATOM 1062 CB ASP A 71 12.060 -4.112 0.480 1.00 0.00 C ATOM 1063 CG ASP A 71 13.221 -3.123 0.606 1.00 0.00 C ATOM 1064 OD1 ASP A 71 12.960 -1.915 0.416 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.342 -3.597 0.888 1.00 0.00 O ATOM 0 H ASP A 71 10.634 -5.970 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 71 10.645 -3.097 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.386 -3.967 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.455 -5.125 0.558 1.00 0.00 H new ATOM 1070 N LEU A 72 12.048 -2.976 -2.846 1.00 0.00 N ATOM 1071 CA LEU A 72 12.909 -2.817 -4.006 1.00 0.00 C ATOM 1072 C LEU A 72 14.286 -2.330 -3.551 1.00 0.00 C ATOM 1073 O LEU A 72 14.741 -1.266 -3.968 1.00 0.00 O ATOM 1074 CB LEU A 72 12.247 -1.909 -5.044 1.00 0.00 C ATOM 1075 CG LEU A 72 11.028 -2.489 -5.764 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.240 -3.422 -4.842 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.150 -1.376 -6.339 1.00 0.00 C ATOM 0 H LEU A 72 11.310 -2.277 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 72 13.058 -3.775 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.946 -0.985 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.993 -1.642 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 72 11.380 -3.088 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.379 -3.821 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.881 -4.244 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.898 -2.867 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.291 -1.815 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.804 -0.731 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.729 -0.787 -7.051 1.00 0.00 H new ATOM 1089 N GLY A 73 14.910 -3.132 -2.701 1.00 0.00 N ATOM 1090 CA GLY A 73 16.226 -2.796 -2.184 1.00 0.00 C ATOM 1091 C GLY A 73 16.390 -1.281 -2.045 1.00 0.00 C ATOM 1092 O GLY A 73 17.391 -0.718 -2.487 1.00 0.00 O ATOM 0 H GLY A 73 14.529 -4.013 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.372 -3.272 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.994 -3.189 -2.851 1.00 0.00 H new ATOM 1096 N SER A 74 15.392 -0.664 -1.429 1.00 0.00 N ATOM 1097 CA SER A 74 15.413 0.775 -1.227 1.00 0.00 C ATOM 1098 C SER A 74 16.827 1.231 -0.860 1.00 0.00 C ATOM 1099 O SER A 74 17.558 1.742 -1.707 1.00 0.00 O ATOM 1100 CB SER A 74 14.422 1.192 -0.139 1.00 0.00 C ATOM 1101 OG SER A 74 14.398 0.268 0.945 1.00 0.00 O ATOM 0 H SER A 74 14.564 -1.134 -1.063 1.00 0.00 H new ATOM 0 HA SER A 74 15.113 1.256 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.688 2.181 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.424 1.272 -0.569 1.00 0.00 H new ATOM 0 HG SER A 74 13.845 -0.504 0.704 1.00 0.00 H new ATOM 1107 N SER A 75 17.169 1.030 0.405 1.00 0.00 N ATOM 1108 CA SER A 75 18.482 1.414 0.894 1.00 0.00 C ATOM 1109 C SER A 75 18.630 1.016 2.364 1.00 0.00 C ATOM 1110 O SER A 75 19.546 0.279 2.722 1.00 0.00 O ATOM 1111 CB SER A 75 18.715 2.917 0.725 1.00 0.00 C ATOM 1112 OG SER A 75 19.478 3.211 -0.442 1.00 0.00 O ATOM 0 H SER A 75 16.560 0.607 1.105 1.00 0.00 H new ATOM 0 HA SER A 75 19.233 0.889 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.754 3.429 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 75 19.231 3.305 1.603 1.00 0.00 H new ATOM 0 HG SER A 75 19.054 2.798 -1.223 1.00 0.00 H new ATOM 1118 N ASN A 76 17.713 1.523 3.176 1.00 0.00 N ATOM 1119 CA ASN A 76 17.729 1.229 4.599 1.00 0.00 C ATOM 1120 C ASN A 76 17.037 -0.112 4.847 1.00 0.00 C ATOM 1121 O ASN A 76 17.487 -0.904 5.673 1.00 0.00 O ATOM 1122 CB ASN A 76 16.980 2.302 5.391 1.00 0.00 C ATOM 1123 CG ASN A 76 15.624 2.609 4.751 1.00 0.00 C ATOM 1124 OD1 ASN A 76 14.714 1.797 4.743 1.00 0.00 O ATOM 1125 ND2 ASN A 76 15.541 3.825 4.218 1.00 0.00 N ATOM 0 H ASN A 76 16.955 2.135 2.875 1.00 0.00 H new ATOM 0 HA ASN A 76 18.769 1.200 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.834 1.966 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.579 3.211 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.677 4.127 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.342 4.456 4.260 1.00 0.00 H new ATOM 1132 N GLY A 77 15.952 -0.326 4.116 1.00 0.00 N ATOM 1133 CA GLY A 77 15.193 -1.558 4.246 1.00 0.00 C ATOM 1134 C GLY A 77 13.765 -1.275 4.718 1.00 0.00 C ATOM 1135 O GLY A 77 13.488 -0.206 5.261 1.00 0.00 O ATOM 0 H GLY A 77 15.581 0.333 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.167 -2.076 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.689 -2.222 4.954 1.00 0.00 H new ATOM 1139 N THR A 78 12.898 -2.251 4.495 1.00 0.00 N ATOM 1140 CA THR A 78 11.506 -2.120 4.891 1.00 0.00 C ATOM 1141 C THR A 78 11.220 -2.978 6.125 1.00 0.00 C ATOM 1142 O THR A 78 11.818 -4.038 6.300 1.00 0.00 O ATOM 1143 CB THR A 78 10.635 -2.480 3.685 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.166 -1.688 2.625 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.195 -1.986 3.834 1.00 0.00 C ATOM 0 H THR A 78 13.132 -3.136 4.045 1.00 0.00 H new ATOM 0 HA THR A 78 11.273 -1.096 5.184 1.00 0.00 H new ATOM 0 HB THR A 78 10.635 -3.561 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.511 -1.007 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.621 -2.268 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.745 -2.437 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.191 -0.901 3.938 1.00 0.00 H new ATOM 1153 N LEU A 79 10.305 -2.487 6.948 1.00 0.00 N ATOM 1154 CA LEU A 79 9.932 -3.195 8.160 1.00 0.00 C ATOM 1155 C LEU A 79 8.445 -3.551 8.101 1.00 0.00 C ATOM 1156 O LEU A 79 7.629 -2.750 7.648 1.00 0.00 O ATOM 1157 CB LEU A 79 10.321 -2.383 9.397 1.00 0.00 C ATOM 1158 CG LEU A 79 11.801 -2.420 9.785 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.128 -1.328 10.805 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.202 -3.810 10.286 1.00 0.00 C ATOM 0 H LEU A 79 9.811 -1.607 6.799 1.00 0.00 H new ATOM 0 HA LEU A 79 10.482 -4.133 8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.035 -1.344 9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.735 -2.743 10.243 1.00 0.00 H new ATOM 0 HG LEU A 79 12.393 -2.215 8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.186 -1.377 11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.904 -0.351 10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.528 -1.477 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.258 -3.809 10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.605 -4.068 11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.029 -4.544 9.499 1.00 0.00 H new ATOM 1172 N LEU A 80 8.137 -4.753 8.566 1.00 0.00 N ATOM 1173 CA LEU A 80 6.763 -5.224 8.572 1.00 0.00 C ATOM 1174 C LEU A 80 6.382 -5.653 9.990 1.00 0.00 C ATOM 1175 O LEU A 80 6.792 -6.717 10.452 1.00 0.00 O ATOM 1176 CB LEU A 80 6.568 -6.322 7.524 1.00 0.00 C ATOM 1177 CG LEU A 80 5.120 -6.708 7.218 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.294 -5.479 6.833 1.00 0.00 C ATOM 1179 CD2 LEU A 80 5.058 -7.799 6.147 1.00 0.00 C ATOM 0 H LEU A 80 8.816 -5.415 8.941 1.00 0.00 H new ATOM 0 HA LEU A 80 6.084 -4.420 8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.041 -5.999 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.098 -7.214 7.858 1.00 0.00 H new ATOM 0 HG LEU A 80 4.678 -7.121 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.269 -5.782 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.298 -4.765 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.726 -5.013 5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.017 -8.055 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.524 -7.436 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.589 -8.684 6.498 1.00 0.00 H new ATOM 1191 N ASN A 81 5.600 -4.804 10.641 1.00 0.00 N ATOM 1192 CA ASN A 81 5.159 -5.083 11.998 1.00 0.00 C ATOM 1193 C ASN A 81 6.370 -5.090 12.932 1.00 0.00 C ATOM 1194 O ASN A 81 6.540 -4.178 13.741 1.00 0.00 O ATOM 1195 CB ASN A 81 4.485 -6.453 12.087 1.00 0.00 C ATOM 1196 CG ASN A 81 3.240 -6.511 11.199 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.300 -5.750 11.354 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.287 -7.454 10.263 1.00 0.00 N ATOM 0 H ASN A 81 5.261 -3.923 10.255 1.00 0.00 H new ATOM 0 HA ASN A 81 4.446 -4.311 12.286 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.188 -7.229 11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.208 -6.660 13.121 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.505 -7.573 9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.106 -8.058 10.188 1.00 0.00 H new ATOM 1205 N SER A 82 7.181 -6.128 12.790 1.00 0.00 N ATOM 1206 CA SER A 82 8.372 -6.266 13.612 1.00 0.00 C ATOM 1207 C SER A 82 9.366 -7.213 12.937 1.00 0.00 C ATOM 1208 O SER A 82 9.723 -8.247 13.500 1.00 0.00 O ATOM 1209 CB SER A 82 8.020 -6.774 15.011 1.00 0.00 C ATOM 1210 OG SER A 82 7.922 -5.712 15.956 1.00 0.00 O ATOM 0 H SER A 82 7.037 -6.882 12.118 1.00 0.00 H new ATOM 0 HA SER A 82 8.831 -5.283 13.718 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.074 -7.314 14.973 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.779 -7.484 15.341 1.00 0.00 H new ATOM 0 HG SER A 82 7.473 -4.946 15.542 1.00 0.00 H new ATOM 1216 N ASN A 83 9.785 -6.826 11.741 1.00 0.00 N ATOM 1217 CA ASN A 83 10.732 -7.628 10.985 1.00 0.00 C ATOM 1218 C ASN A 83 11.122 -6.879 9.709 1.00 0.00 C ATOM 1219 O ASN A 83 10.264 -6.329 9.020 1.00 0.00 O ATOM 1220 CB ASN A 83 10.116 -8.968 10.577 1.00 0.00 C ATOM 1221 CG ASN A 83 11.199 -10.026 10.361 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.780 -10.557 11.294 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.439 -10.302 9.083 1.00 0.00 N ATOM 0 H ASN A 83 9.486 -5.968 11.277 1.00 0.00 H new ATOM 0 HA ASN A 83 11.602 -7.808 11.617 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.423 -9.304 11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.537 -8.843 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.145 -10.995 8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.917 -9.821 8.351 1.00 0.00 H new ATOM 1230 N ALA A 84 12.417 -6.883 9.431 1.00 0.00 N ATOM 1231 CA ALA A 84 12.932 -6.211 8.250 1.00 0.00 C ATOM 1232 C ALA A 84 12.694 -7.093 7.023 1.00 0.00 C ATOM 1233 O ALA A 84 13.184 -8.220 6.959 1.00 0.00 O ATOM 1234 CB ALA A 84 14.412 -5.882 8.454 1.00 0.00 C ATOM 0 H ALA A 84 13.126 -7.341 10.004 1.00 0.00 H new ATOM 0 HA ALA A 84 12.409 -5.269 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.798 -5.378 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.524 -5.230 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.970 -6.804 8.619 1.00 0.00 H new ATOM 1240 N LEU A 85 11.942 -6.547 6.078 1.00 0.00 N ATOM 1241 CA LEU A 85 11.634 -7.270 4.856 1.00 0.00 C ATOM 1242 C LEU A 85 12.920 -7.483 4.056 1.00 0.00 C ATOM 1243 O LEU A 85 13.961 -6.918 4.386 1.00 0.00 O ATOM 1244 CB LEU A 85 10.533 -6.552 4.073 1.00 0.00 C ATOM 1245 CG LEU A 85 9.218 -6.321 4.821 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.325 -5.334 4.067 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.504 -7.646 5.096 1.00 0.00 C ATOM 0 H LEU A 85 11.537 -5.612 6.134 1.00 0.00 H new ATOM 0 HA LEU A 85 11.236 -8.258 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.918 -5.585 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.319 -7.129 3.173 1.00 0.00 H new ATOM 0 HG LEU A 85 9.448 -5.873 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.397 -5.187 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.842 -4.380 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.099 -5.731 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.573 -7.454 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.286 -8.145 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.144 -8.285 5.704 1.00 0.00 H new ATOM 1259 N ASP A 86 12.805 -8.299 3.018 1.00 0.00 N ATOM 1260 CA ASP A 86 13.946 -8.593 2.168 1.00 0.00 C ATOM 1261 C ASP A 86 13.588 -8.279 0.714 1.00 0.00 C ATOM 1262 O ASP A 86 12.432 -8.409 0.314 1.00 0.00 O ATOM 1263 CB ASP A 86 14.329 -10.072 2.252 1.00 0.00 C ATOM 1264 CG ASP A 86 15.778 -10.343 2.662 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.340 -9.476 3.366 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.291 -11.410 2.263 1.00 0.00 O ATOM 0 H ASP A 86 11.939 -8.765 2.747 1.00 0.00 H new ATOM 0 HA ASP A 86 14.784 -7.984 2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.667 -10.563 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.150 -10.534 1.281 1.00 0.00 H new ATOM 1271 N PRO A 87 14.627 -7.862 -0.057 1.00 0.00 N ATOM 1272 CA PRO A 87 14.433 -7.528 -1.458 1.00 0.00 C ATOM 1273 C PRO A 87 14.268 -8.792 -2.304 1.00 0.00 C ATOM 1274 O PRO A 87 13.464 -8.820 -3.234 1.00 0.00 O ATOM 1275 CB PRO A 87 15.657 -6.712 -1.841 1.00 0.00 C ATOM 1276 CG PRO A 87 16.706 -7.011 -0.782 1.00 0.00 C ATOM 1277 CD PRO A 87 16.010 -7.696 0.383 1.00 0.00 C ATOM 0 HA PRO A 87 13.521 -6.958 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.015 -6.987 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.423 -5.648 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.488 -7.652 -1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.188 -6.091 -0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.471 -8.657 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.068 -7.093 1.289 1.00 0.00 H new ATOM 1285 N GLU A 88 15.043 -9.807 -1.952 1.00 0.00 N ATOM 1286 CA GLU A 88 14.993 -11.071 -2.667 1.00 0.00 C ATOM 1287 C GLU A 88 13.967 -12.005 -2.023 1.00 0.00 C ATOM 1288 O GLU A 88 14.131 -13.224 -2.048 1.00 0.00 O ATOM 1289 CB GLU A 88 16.374 -11.726 -2.720 1.00 0.00 C ATOM 1290 CG GLU A 88 17.380 -10.828 -3.443 1.00 0.00 C ATOM 1291 CD GLU A 88 18.671 -11.588 -3.753 1.00 0.00 C ATOM 1292 OE1 GLU A 88 19.327 -12.013 -2.777 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.972 -11.728 -4.958 1.00 0.00 O ATOM 0 H GLU A 88 15.710 -9.780 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 88 14.682 -10.874 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.724 -11.928 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.305 -12.686 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.941 -10.457 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.605 -9.958 -2.826 1.00 0.00 H new ATOM 1300 N THR A 89 12.932 -11.399 -1.461 1.00 0.00 N ATOM 1301 CA THR A 89 11.879 -12.161 -0.811 1.00 0.00 C ATOM 1302 C THR A 89 10.564 -11.381 -0.834 1.00 0.00 C ATOM 1303 O THR A 89 10.560 -10.158 -0.699 1.00 0.00 O ATOM 1304 CB THR A 89 12.353 -12.513 0.600 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.572 -13.220 0.391 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.443 -13.534 1.286 1.00 0.00 C ATOM 0 H THR A 89 12.800 -10.388 -1.442 1.00 0.00 H new ATOM 0 HA THR A 89 11.677 -13.091 -1.343 1.00 0.00 H new ATOM 0 HB THR A 89 12.401 -11.606 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.624 -13.514 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.825 -13.749 2.284 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.434 -13.129 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.421 -14.453 0.701 1.00 0.00 H new ATOM 1314 N SER A 90 9.477 -12.120 -1.005 1.00 0.00 N ATOM 1315 CA SER A 90 8.158 -11.513 -1.047 1.00 0.00 C ATOM 1316 C SER A 90 7.296 -12.054 0.095 1.00 0.00 C ATOM 1317 O SER A 90 7.198 -13.266 0.283 1.00 0.00 O ATOM 1318 CB SER A 90 7.477 -11.768 -2.393 1.00 0.00 C ATOM 1319 OG SER A 90 7.350 -13.159 -2.672 1.00 0.00 O ATOM 0 H SER A 90 9.483 -13.134 -1.116 1.00 0.00 H new ATOM 0 HA SER A 90 8.274 -10.436 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.489 -11.307 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.052 -11.290 -3.186 1.00 0.00 H new ATOM 0 HG SER A 90 7.246 -13.653 -1.832 1.00 0.00 H new ATOM 1325 N VAL A 91 6.693 -11.130 0.829 1.00 0.00 N ATOM 1326 CA VAL A 91 5.843 -11.500 1.948 1.00 0.00 C ATOM 1327 C VAL A 91 4.406 -11.060 1.658 1.00 0.00 C ATOM 1328 O VAL A 91 4.185 -10.066 0.967 1.00 0.00 O ATOM 1329 CB VAL A 91 6.399 -10.909 3.245 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.685 -11.496 4.464 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.911 -11.121 3.340 1.00 0.00 C ATOM 0 H VAL A 91 6.776 -10.126 0.671 1.00 0.00 H new ATOM 0 HA VAL A 91 5.832 -12.582 2.078 1.00 0.00 H new ATOM 0 HB VAL A 91 6.212 -9.835 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.099 -11.060 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.620 -11.271 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.827 -12.577 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.281 -10.692 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.131 -12.188 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.400 -10.634 2.496 1.00 0.00 H new ATOM 1341 N ASN A 92 3.467 -11.821 2.200 1.00 0.00 N ATOM 1342 CA ASN A 92 2.058 -11.522 2.008 1.00 0.00 C ATOM 1343 C ASN A 92 1.606 -10.516 3.068 1.00 0.00 C ATOM 1344 O ASN A 92 1.946 -10.651 4.242 1.00 0.00 O ATOM 1345 CB ASN A 92 1.203 -12.782 2.157 1.00 0.00 C ATOM 1346 CG ASN A 92 1.292 -13.340 3.579 1.00 0.00 C ATOM 1347 OD1 ASN A 92 2.334 -13.331 4.213 1.00 0.00 O ATOM 1348 ND2 ASN A 92 0.144 -13.826 4.042 1.00 0.00 N ATOM 0 H ASN A 92 3.654 -12.644 2.772 1.00 0.00 H new ATOM 0 HA ASN A 92 1.932 -11.117 1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.165 -12.552 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.535 -13.537 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.100 -14.222 4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.692 -13.802 3.458 1.00 0.00 H new ATOM 1355 N LEU A 93 0.847 -9.529 2.615 1.00 0.00 N ATOM 1356 CA LEU A 93 0.345 -8.500 3.510 1.00 0.00 C ATOM 1357 C LEU A 93 -0.835 -9.057 4.309 1.00 0.00 C ATOM 1358 O LEU A 93 -1.319 -10.152 4.027 1.00 0.00 O ATOM 1359 CB LEU A 93 0.012 -7.227 2.729 1.00 0.00 C ATOM 1360 CG LEU A 93 1.206 -6.365 2.312 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.785 -5.300 1.297 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.894 -5.753 3.533 1.00 0.00 C ATOM 0 H LEU A 93 0.567 -9.420 1.640 1.00 0.00 H new ATOM 0 HA LEU A 93 1.112 -8.214 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.539 -7.509 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.657 -6.617 3.335 1.00 0.00 H new ATOM 0 HG LEU A 93 1.936 -7.008 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.652 -4.701 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.377 -5.784 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.026 -4.655 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.739 -5.146 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.185 -5.128 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.250 -6.549 4.187 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.265 -8.277 5.290 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.379 -8.678 6.132 1.00 0.00 C ATOM 1376 C GLY A 94 -3.043 -7.461 6.779 1.00 0.00 C ATOM 1377 O GLY A 94 -2.412 -6.418 6.942 1.00 0.00 O ATOM 0 H GLY A 94 -0.862 -7.369 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.112 -9.223 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.027 -9.359 6.907 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.309 -7.635 7.129 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.067 -6.564 7.754 1.00 0.00 C ATOM 1383 C ASP A 95 -4.524 -6.317 9.163 1.00 0.00 C ATOM 1384 O ASP A 95 -4.658 -7.167 10.042 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.546 -6.933 7.875 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.317 -6.172 8.956 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.627 -4.988 8.704 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.578 -6.792 10.010 1.00 0.00 O ATOM 0 H ASP A 95 -4.829 -8.502 6.992 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.968 -5.674 7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.029 -6.757 6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.623 -8.001 8.079 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.923 -5.148 9.335 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.360 -4.779 10.623 1.00 0.00 C ATOM 1395 C GLY A 96 -1.832 -4.839 10.590 1.00 0.00 C ATOM 1396 O GLY A 96 -1.183 -4.802 11.635 1.00 0.00 O ATOM 0 H GLY A 96 -3.814 -4.445 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.682 -3.773 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.737 -5.450 11.395 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.301 -4.929 9.380 1.00 0.00 N ATOM 1401 CA ASP A 97 0.139 -4.994 9.197 1.00 0.00 C ATOM 1402 C ASP A 97 0.698 -3.575 9.076 1.00 0.00 C ATOM 1403 O ASP A 97 0.264 -2.805 8.221 1.00 0.00 O ATOM 1404 CB ASP A 97 0.499 -5.755 7.920 1.00 0.00 C ATOM 1405 CG ASP A 97 0.313 -7.272 7.996 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.453 -7.706 8.884 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.940 -7.963 7.165 1.00 0.00 O ATOM 0 H ASP A 97 -1.842 -4.958 8.516 1.00 0.00 H new ATOM 0 HA ASP A 97 0.565 -5.512 10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.110 -5.370 7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.539 -5.544 7.670 1.00 0.00 H new ATOM 1412 N VAL A 98 1.653 -3.273 9.943 1.00 0.00 N ATOM 1413 CA VAL A 98 2.276 -1.961 9.944 1.00 0.00 C ATOM 1414 C VAL A 98 3.572 -2.015 9.131 1.00 0.00 C ATOM 1415 O VAL A 98 4.432 -2.858 9.384 1.00 0.00 O ATOM 1416 CB VAL A 98 2.492 -1.484 11.382 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.560 -0.391 11.443 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.179 -1.003 12.002 1.00 0.00 C ATOM 0 H VAL A 98 2.011 -3.915 10.650 1.00 0.00 H new ATOM 0 HA VAL A 98 1.624 -1.229 9.468 1.00 0.00 H new ATOM 0 HB VAL A 98 2.848 -2.332 11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.694 -0.070 12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.503 -0.782 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.246 0.459 10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.360 -0.669 13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.781 -0.175 11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.459 -1.821 12.010 1.00 0.00 H new ATOM 1428 N ILE A 99 3.670 -1.106 8.173 1.00 0.00 N ATOM 1429 CA ILE A 99 4.846 -1.040 7.322 1.00 0.00 C ATOM 1430 C ILE A 99 5.668 0.196 7.690 1.00 0.00 C ATOM 1431 O ILE A 99 5.282 1.320 7.372 1.00 0.00 O ATOM 1432 CB ILE A 99 4.444 -1.095 5.847 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.491 -2.262 5.581 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.678 -1.145 4.943 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.731 -2.061 4.268 1.00 0.00 C ATOM 0 H ILE A 99 2.955 -0.409 7.967 1.00 0.00 H new ATOM 0 HA ILE A 99 5.484 -1.908 7.487 1.00 0.00 H new ATOM 0 HB ILE A 99 3.906 -0.178 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.054 -3.194 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.783 -2.353 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.364 -1.184 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.285 -0.255 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.265 -2.033 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.061 -2.904 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.150 -1.140 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.441 -1.995 3.443 1.00 0.00 H new ATOM 1447 N LYS A 100 6.786 -0.052 8.355 1.00 0.00 N ATOM 1448 CA LYS A 100 7.666 1.027 8.770 1.00 0.00 C ATOM 1449 C LYS A 100 8.782 1.196 7.736 1.00 0.00 C ATOM 1450 O LYS A 100 9.706 0.387 7.678 1.00 0.00 O ATOM 1451 CB LYS A 100 8.177 0.786 10.192 1.00 0.00 C ATOM 1452 CG LYS A 100 7.253 1.435 11.224 1.00 0.00 C ATOM 1453 CD LYS A 100 7.339 0.711 12.569 1.00 0.00 C ATOM 1454 CE LYS A 100 7.011 -0.775 12.414 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.145 -1.234 13.523 1.00 0.00 N ATOM 0 H LYS A 100 7.103 -0.985 8.617 1.00 0.00 H new ATOM 0 HA LYS A 100 7.120 1.970 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.244 -0.285 10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.184 1.191 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.525 2.483 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.225 1.415 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.341 0.825 12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.647 1.168 13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.511 -0.945 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.932 -1.357 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.960 -2.252 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.621 -1.058 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.244 -0.714 13.498 1.00 0.00 H new ATOM 1469 N LEU A 101 8.658 2.253 6.947 1.00 0.00 N ATOM 1470 CA LEU A 101 9.644 2.538 5.918 1.00 0.00 C ATOM 1471 C LEU A 101 10.167 3.964 6.101 1.00 0.00 C ATOM 1472 O LEU A 101 9.560 4.766 6.810 1.00 0.00 O ATOM 1473 CB LEU A 101 9.062 2.270 4.529 1.00 0.00 C ATOM 1474 CG LEU A 101 7.972 3.236 4.060 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.109 3.533 2.565 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.581 2.708 4.415 1.00 0.00 C ATOM 0 H LEU A 101 7.890 2.922 6.999 1.00 0.00 H new ATOM 0 HA LEU A 101 10.499 1.869 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.876 2.294 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.654 1.259 4.517 1.00 0.00 H new ATOM 0 HG LEU A 101 8.102 4.180 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.322 4.222 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.082 3.984 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.020 2.605 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.825 3.414 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.424 1.743 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.501 2.590 5.496 1.00 0.00 H new ATOM 1488 N GLY A 102 11.287 4.238 5.450 1.00 0.00 N ATOM 1489 CA GLY A 102 11.899 5.553 5.531 1.00 0.00 C ATOM 1490 C GLY A 102 12.465 5.809 6.930 1.00 0.00 C ATOM 1491 O GLY A 102 12.999 4.900 7.563 1.00 0.00 O ATOM 0 H GLY A 102 11.788 3.571 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.696 5.633 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.161 6.317 5.288 1.00 0.00 H new ATOM 1495 N GLU A 103 12.328 7.051 7.371 1.00 0.00 N ATOM 1496 CA GLU A 103 12.820 7.438 8.682 1.00 0.00 C ATOM 1497 C GLU A 103 11.824 7.020 9.766 1.00 0.00 C ATOM 1498 O GLU A 103 12.131 6.173 10.604 1.00 0.00 O ATOM 1499 CB GLU A 103 13.097 8.941 8.742 1.00 0.00 C ATOM 1500 CG GLU A 103 14.068 9.364 7.638 1.00 0.00 C ATOM 1501 CD GLU A 103 14.928 10.547 8.088 1.00 0.00 C ATOM 1502 OE1 GLU A 103 14.410 11.682 8.022 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.084 10.288 8.487 1.00 0.00 O ATOM 0 H GLU A 103 11.883 7.802 6.843 1.00 0.00 H new ATOM 0 HA GLU A 103 13.763 6.921 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.162 9.491 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.513 9.199 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.709 8.524 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.510 9.636 6.742 1.00 0.00 H new ATOM 1510 N TYR A 104 10.650 7.634 9.715 1.00 0.00 N ATOM 1511 CA TYR A 104 9.608 7.337 10.682 1.00 0.00 C ATOM 1512 C TYR A 104 8.231 7.313 10.015 1.00 0.00 C ATOM 1513 O TYR A 104 7.299 7.964 10.483 1.00 0.00 O ATOM 1514 CB TYR A 104 9.645 8.473 11.706 1.00 0.00 C ATOM 1515 CG TYR A 104 10.939 8.534 12.521 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.135 7.659 13.570 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.909 9.464 12.206 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.353 7.717 14.337 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.126 9.521 12.973 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.288 8.645 14.001 1.00 0.00 C ATOM 1521 OH TYR A 104 14.438 8.699 14.725 1.00 0.00 O ATOM 0 H TYR A 104 10.398 8.336 9.019 1.00 0.00 H new ATOM 0 HA TYR A 104 9.774 6.360 11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.510 9.422 11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.803 8.361 12.389 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.376 6.931 13.816 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.755 10.148 11.385 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.520 7.038 15.161 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.893 10.243 12.737 1.00 0.00 H new ATOM 0 HH TYR A 104 15.014 9.409 14.372 1.00 0.00 H new ATOM 1531 N THR A 105 8.148 6.556 8.930 1.00 0.00 N ATOM 1532 CA THR A 105 6.901 6.439 8.194 1.00 0.00 C ATOM 1533 C THR A 105 6.313 5.036 8.359 1.00 0.00 C ATOM 1534 O THR A 105 6.920 4.051 7.940 1.00 0.00 O ATOM 1535 CB THR A 105 7.176 6.814 6.736 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.261 8.237 6.754 1.00 0.00 O ATOM 1537 CG2 THR A 105 5.984 6.524 5.822 1.00 0.00 C ATOM 0 H THR A 105 8.924 6.018 8.544 1.00 0.00 H new ATOM 0 HA THR A 105 6.146 7.122 8.584 1.00 0.00 H new ATOM 0 HB THR A 105 8.049 6.267 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.027 8.512 7.300 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.232 6.808 4.799 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.750 5.460 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.120 7.097 6.158 1.00 0.00 H new ATOM 1545 N SER A 106 5.139 4.989 8.971 1.00 0.00 N ATOM 1546 CA SER A 106 4.463 3.723 9.197 1.00 0.00 C ATOM 1547 C SER A 106 3.147 3.686 8.417 1.00 0.00 C ATOM 1548 O SER A 106 2.384 4.651 8.435 1.00 0.00 O ATOM 1549 CB SER A 106 4.203 3.496 10.688 1.00 0.00 C ATOM 1550 OG SER A 106 5.389 3.640 11.464 1.00 0.00 O ATOM 0 H SER A 106 4.639 5.807 9.317 1.00 0.00 H new ATOM 0 HA SER A 106 5.111 2.921 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.453 4.205 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.791 2.498 10.836 1.00 0.00 H new ATOM 0 HG SER A 106 5.181 3.489 12.410 1.00 0.00 H new ATOM 1556 N ILE A 107 2.922 2.563 7.752 1.00 0.00 N ATOM 1557 CA ILE A 107 1.711 2.388 6.967 1.00 0.00 C ATOM 1558 C ILE A 107 0.939 1.176 7.493 1.00 0.00 C ATOM 1559 O ILE A 107 1.528 0.131 7.766 1.00 0.00 O ATOM 1560 CB ILE A 107 2.047 2.304 5.477 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.941 3.470 5.050 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.773 2.220 4.633 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.379 3.320 3.592 1.00 0.00 C ATOM 0 H ILE A 107 3.557 1.765 7.740 1.00 0.00 H new ATOM 0 HA ILE A 107 1.058 3.254 7.075 1.00 0.00 H new ATOM 0 HB ILE A 107 2.610 1.387 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.404 4.410 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.819 3.515 5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.039 2.161 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.208 1.332 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.164 3.107 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.013 4.162 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.936 2.391 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.500 3.300 2.948 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.367 1.356 7.618 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.226 0.290 8.106 1.00 0.00 C ATOM 1577 C LEU A 108 -1.967 -0.343 6.926 1.00 0.00 C ATOM 1578 O LEU A 108 -2.427 0.361 6.028 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.153 0.810 9.206 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.413 -0.018 9.469 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.056 -1.466 9.810 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.278 0.629 10.552 1.00 0.00 C ATOM 0 H LEU A 108 -0.852 2.224 7.390 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.630 -0.497 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.584 0.873 10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.456 1.825 8.948 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.005 -0.039 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.969 -2.033 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.512 -1.912 8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.432 -1.486 10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.167 0.021 10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.708 0.701 11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.577 1.627 10.231 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.058 -1.664 6.965 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.735 -2.399 5.911 1.00 0.00 C ATOM 1596 C VAL A 109 -4.121 -2.824 6.400 1.00 0.00 C ATOM 1597 O VAL A 109 -4.238 -3.608 7.340 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.873 -3.579 5.459 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.655 -4.504 4.523 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.582 -3.094 4.797 1.00 0.00 C ATOM 0 H VAL A 109 -1.674 -2.244 7.711 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.879 -1.765 5.036 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.600 -4.152 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.019 -5.334 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.531 -4.891 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.973 -3.946 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.012 -3.953 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.826 -2.486 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.011 -2.497 5.508 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.137 -2.288 5.739 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.510 -2.602 6.094 1.00 0.00 C ATOM 1612 C ASN A 110 -7.236 -3.158 4.867 1.00 0.00 C ATOM 1613 O ASN A 110 -7.035 -2.678 3.753 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.258 -1.351 6.559 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.288 -1.265 8.087 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -6.122 -1.535 8.666 1.00 0.00 O flip ATOM 1617 ND2 ASN A 110 -8.303 -0.974 8.698 1.00 0.00 N flip ATOM 0 H ASN A 110 -5.036 -1.638 4.959 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.490 -3.333 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.776 -0.462 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.277 -1.368 6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.166 -0.778 8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.289 -0.926 9.717 1.00 0.00 H new ATOM 1624 N PHE A 111 -8.064 -4.162 5.114 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.821 -4.788 4.044 1.00 0.00 C ATOM 1626 C PHE A 111 -10.282 -4.336 4.067 1.00 0.00 C ATOM 1627 O PHE A 111 -11.046 -4.738 4.944 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.763 -6.299 4.279 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.388 -6.917 4.019 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.636 -6.486 2.971 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.918 -7.898 4.835 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.360 -7.059 2.729 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.641 -8.472 4.593 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.889 -8.040 3.545 1.00 0.00 C ATOM 0 H PHE A 111 -8.227 -4.558 6.040 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.398 -4.510 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.055 -6.508 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.496 -6.785 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.010 -5.707 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.515 -8.241 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.763 -6.716 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.267 -9.251 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.918 -8.476 3.361 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.628 -3.506 3.094 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.984 -2.995 2.992 1.00 0.00 C ATOM 1646 C VAL A 112 -12.807 -3.920 2.094 1.00 0.00 C ATOM 1647 O VAL A 112 -12.605 -3.955 0.881 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.962 -1.547 2.499 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.276 -0.836 2.826 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.768 -0.787 3.080 1.00 0.00 C ATOM 0 H VAL A 112 -9.992 -3.175 2.369 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.462 -2.983 3.971 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.852 -1.565 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.233 0.191 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.102 -1.357 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.430 -0.835 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.777 0.239 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.833 -0.784 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.842 -1.274 2.773 1.00 0.00 H new ATOM 1660 N SER A 113 -13.718 -4.647 2.724 1.00 0.00 N ATOM 1661 CA SER A 113 -14.572 -5.571 1.997 1.00 0.00 C ATOM 1662 C SER A 113 -15.955 -4.950 1.789 1.00 0.00 C ATOM 1663 O SER A 113 -16.853 -5.138 2.608 1.00 0.00 O ATOM 1664 CB SER A 113 -14.695 -6.905 2.734 1.00 0.00 C ATOM 1665 OG SER A 113 -15.806 -7.670 2.274 1.00 0.00 O ATOM 0 H SER A 113 -13.883 -4.615 3.730 1.00 0.00 H new ATOM 0 HA SER A 113 -14.117 -5.765 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.779 -7.480 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.800 -6.720 3.803 1.00 0.00 H new ATOM 0 HG SER A 113 -15.767 -8.569 2.662 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.083 -4.223 0.689 1.00 0.00 N ATOM 1672 CA GLY A 114 -17.342 -3.574 0.363 1.00 0.00 C ATOM 1673 C GLY A 114 -17.370 -2.137 0.888 1.00 0.00 C ATOM 1674 O GLY A 114 -16.473 -1.723 1.621 1.00 0.00 O ATOM 0 H GLY A 114 -15.336 -4.069 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.486 -3.573 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.169 -4.139 0.794 1.00 0.00 H new ATOM 1678 N PRO A 115 -18.436 -1.397 0.482 1.00 0.00 N ATOM 1679 CA PRO A 115 -18.593 -0.016 0.903 1.00 0.00 C ATOM 1680 C PRO A 115 -19.049 0.064 2.362 1.00 0.00 C ATOM 1681 O PRO A 115 -19.509 -0.926 2.927 1.00 0.00 O ATOM 1682 CB PRO A 115 -19.600 0.580 -0.067 1.00 0.00 C ATOM 1683 CG PRO A 115 -20.316 -0.601 -0.702 1.00 0.00 C ATOM 1684 CD PRO A 115 -19.517 -1.855 -0.386 1.00 0.00 C ATOM 0 HA PRO A 115 -17.656 0.541 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -20.304 1.231 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -19.102 1.187 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -21.331 -0.687 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.399 -0.463 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -20.134 -2.603 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -19.128 -2.316 -1.294 1.00 0.00 H new ATOM 1692 N SER A 116 -18.904 1.253 2.929 1.00 0.00 N ATOM 1693 CA SER A 116 -19.296 1.475 4.311 1.00 0.00 C ATOM 1694 C SER A 116 -19.453 2.974 4.575 1.00 0.00 C ATOM 1695 O SER A 116 -18.498 3.736 4.437 1.00 0.00 O ATOM 1696 CB SER A 116 -18.275 0.870 5.276 1.00 0.00 C ATOM 1697 OG SER A 116 -18.815 -0.228 6.006 1.00 0.00 O ATOM 0 H SER A 116 -18.521 2.072 2.457 1.00 0.00 H new ATOM 0 HA SER A 116 -20.253 0.981 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 116 -17.400 0.538 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.936 1.637 5.973 1.00 0.00 H new ATOM 0 HG SER A 116 -18.132 -0.587 6.610 1.00 0.00 H new ATOM 1703 N SER A 117 -20.666 3.351 4.952 1.00 0.00 N ATOM 1704 CA SER A 117 -20.961 4.745 5.237 1.00 0.00 C ATOM 1705 C SER A 117 -20.750 5.031 6.725 1.00 0.00 C ATOM 1706 O SER A 117 -21.699 4.997 7.508 1.00 0.00 O ATOM 1707 CB SER A 117 -22.391 5.101 4.826 1.00 0.00 C ATOM 1708 OG SER A 117 -22.538 6.492 4.555 1.00 0.00 O ATOM 0 H SER A 117 -21.456 2.716 5.067 1.00 0.00 H new ATOM 0 HA SER A 117 -20.279 5.364 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 117 -22.667 4.528 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.079 4.812 5.620 1.00 0.00 H new ATOM 0 HG SER A 117 -23.464 6.678 4.294 1.00 0.00 H new ATOM 1714 N GLY A 118 -19.501 5.306 7.071 1.00 0.00 N ATOM 1715 CA GLY A 118 -19.154 5.597 8.452 1.00 0.00 C ATOM 1716 C GLY A 118 -17.904 4.824 8.878 1.00 0.00 C ATOM 1717 O GLY A 118 -16.825 5.400 8.999 1.00 0.00 O ATOM 0 H GLY A 118 -18.717 5.333 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.982 6.667 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -19.988 5.335 9.103 1.00 0.00 H new TER 1721 GLY A 118