USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 811 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 80 THR OG1 : rot 76:sc= 1.17 USER MOD Set 1.2: A 85 TYR OH : rot -137:sc= -0.983! USER MOD Set 2.1: A 39 GLN : amide:sc= -1.12 K(o=-0.72,f=-1.4!) USER MOD Set 2.2: A 50 SER OG : rot -105:sc= 0.398 USER MOD Set 3.1: A 35 THR OG1 : rot -150:sc= 0.0347 USER MOD Set 3.2: A 81 SER OG : rot -154:sc= -0.154 USER MOD Set 4.1: A 13 LYS NZ :NH3+ 159:sc= 1.28 (180deg=-0.331) USER MOD Set 4.2: A 18 TYR OH : rot 141:sc= -0.0973 USER MOD Set 5.1: A 4 MET CE :methyl -145:sc= -3.75! (180deg=-6.51!) USER MOD Set 5.2: A 24 THR OG1 : rot -170:sc= 0 USER MOD Set 5.3: A 27 MET CE :methyl 147:sc= -2.87 (180deg=-2.7!) USER MOD Set 5.4: A 34 HIS : no HD1:sc= -0.83 K(o=-7.5,f=-11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.306 (180deg=-1.04) USER MOD Single : A 3 GLN : amide:sc= -4.76! C(o=-4.8!,f=-4.4!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.77! C(o=-3.8!,f=-4.6!) USER MOD Single : A 12 THR OG1 : rot -45:sc= 0.628 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 113:sc= 1.25 USER MOD Single : A 25 MET CE :methyl 159:sc= -2.93 (180deg=-4.64!) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -0.474 (180deg=-2.04!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.193 F(o=-1.1,f=-0.19) USER MOD Single : A 40 TYR OH : rot 0:sc=-0.00729 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=4.95e-05 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0307 K(o=-0.031,f=-0.94) USER MOD Single : A 57 ASN : amide:sc= -2.08! C(o=-2.1!,f=-7.2!) USER MOD Single : A 59 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -122:sc= -4.42! (180deg=-8.27!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -5:sc= 0.96 USER MOD Single : A 72 TYR OH : rot -170:sc= -2.27! USER MOD Single : A 83 THR OG1 : rot -74:sc= 0.189! USER MOD Single : A 86 ASN :FLIP amide:sc= -1.62 F(o=-4.8!,f=-1.6) USER MOD Single : A 90 SER OG : rot 140:sc= 0.143 USER MOD Single : A 93 SER OG : rot 117:sc= -0.57 USER MOD Single : A 97 SER OG : rot 179:sc= 0 USER MOD Single : A 100 THR OG1 : rot -89:sc= 0.857 USER MOD Single : A 102 SER OG : rot 30:sc= 0.0649 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.506 6.158 -5.354 1.00 0.00 N ATOM 2 CA MET A 1 11.784 5.238 -6.271 1.00 0.00 C ATOM 3 C MET A 1 11.330 5.959 -7.535 1.00 0.00 C ATOM 4 O MET A 1 11.483 7.174 -7.649 1.00 0.00 O ATOM 5 CB MET A 1 10.576 4.660 -5.533 1.00 0.00 C ATOM 6 CG MET A 1 10.863 4.302 -4.083 1.00 0.00 C ATOM 7 SD MET A 1 9.383 3.783 -3.193 1.00 0.00 S ATOM 8 CE MET A 1 10.088 3.300 -1.618 1.00 0.00 C ATOM 0 H1 MET A 1 13.136 5.608 -4.736 1.00 0.00 H new ATOM 0 H2 MET A 1 13.069 6.832 -5.911 1.00 0.00 H new ATOM 0 H3 MET A 1 11.819 6.679 -4.773 1.00 0.00 H new ATOM 0 HA MET A 1 12.459 4.438 -6.574 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.761 5.383 -5.566 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.233 3.768 -6.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.602 3.502 -4.049 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.302 5.163 -3.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.295 2.954 -0.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.808 2.496 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.591 4.155 -1.167 1.00 0.00 H new ATOM 20 N ILE A 2 10.772 5.189 -8.471 1.00 0.00 N ATOM 21 CA ILE A 2 10.276 5.710 -9.749 1.00 0.00 C ATOM 22 C ILE A 2 11.329 6.530 -10.492 1.00 0.00 C ATOM 23 O ILE A 2 12.206 7.148 -9.892 1.00 0.00 O ATOM 24 CB ILE A 2 8.987 6.551 -9.583 1.00 0.00 C ATOM 25 CG1 ILE A 2 8.307 6.739 -10.946 1.00 0.00 C ATOM 26 CG2 ILE A 2 9.281 7.896 -8.926 1.00 0.00 C ATOM 27 CD1 ILE A 2 7.174 7.741 -10.947 1.00 0.00 C ATOM 0 H ILE A 2 10.650 4.182 -8.365 1.00 0.00 H new ATOM 0 HA ILE A 2 10.039 4.830 -10.347 1.00 0.00 H new ATOM 0 HB ILE A 2 8.307 6.012 -8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.056 7.056 -11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.924 5.776 -11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.355 8.461 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.716 7.732 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.983 8.457 -9.543 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.751 7.811 -11.949 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.402 7.418 -10.249 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.552 8.717 -10.643 1.00 0.00 H new ATOM 39 N GLN A 3 11.229 6.525 -11.814 1.00 0.00 N ATOM 40 CA GLN A 3 12.159 7.263 -12.659 1.00 0.00 C ATOM 41 C GLN A 3 12.004 8.764 -12.449 1.00 0.00 C ATOM 42 O GLN A 3 12.987 9.503 -12.395 1.00 0.00 O ATOM 43 CB GLN A 3 11.926 6.913 -14.129 1.00 0.00 C ATOM 44 CG GLN A 3 13.106 7.231 -15.030 1.00 0.00 C ATOM 45 CD GLN A 3 13.480 8.699 -15.010 1.00 0.00 C ATOM 46 OE1 GLN A 3 14.591 9.063 -14.624 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.552 9.552 -15.428 1.00 0.00 N ATOM 0 H GLN A 3 10.510 6.015 -12.327 1.00 0.00 H new ATOM 0 HA GLN A 3 13.174 6.979 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.697 5.850 -14.208 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.051 7.455 -14.487 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.966 6.637 -14.719 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.868 6.935 -16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.644 9.206 -15.739 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.747 10.553 -15.438 1.00 0.00 H new ATOM 56 N MET A 4 10.761 9.196 -12.336 1.00 0.00 N ATOM 57 CA MET A 4 10.446 10.606 -12.132 1.00 0.00 C ATOM 58 C MET A 4 9.007 10.787 -11.656 1.00 0.00 C ATOM 59 O MET A 4 8.062 10.440 -12.362 1.00 0.00 O ATOM 60 CB MET A 4 10.653 11.382 -13.427 1.00 0.00 C ATOM 61 CG MET A 4 10.772 12.883 -13.223 1.00 0.00 C ATOM 62 SD MET A 4 9.173 13.680 -12.989 1.00 0.00 S ATOM 63 CE MET A 4 9.557 15.351 -13.498 1.00 0.00 C ATOM 0 H MET A 4 9.944 8.587 -12.382 1.00 0.00 H new ATOM 0 HA MET A 4 11.116 10.990 -11.363 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.555 11.018 -13.919 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.819 11.180 -14.099 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.402 13.079 -12.355 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.271 13.325 -14.086 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.989 16.056 -12.891 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.623 15.535 -13.367 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.293 15.481 -14.547 1.00 0.00 H new ATOM 73 N ALA A 5 8.854 11.339 -10.457 1.00 0.00 N ATOM 74 CA ALA A 5 7.538 11.577 -9.881 1.00 0.00 C ATOM 75 C ALA A 5 6.720 12.522 -10.761 1.00 0.00 C ATOM 76 O ALA A 5 7.011 13.716 -10.838 1.00 0.00 O ATOM 77 CB ALA A 5 7.673 12.153 -8.479 1.00 0.00 C ATOM 0 H ALA A 5 9.630 11.631 -9.863 1.00 0.00 H new ATOM 0 HA ALA A 5 7.014 10.623 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.682 12.326 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.216 11.450 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.218 13.096 -8.524 1.00 0.00 H new ATOM 83 N PRO A 6 5.688 12.000 -11.445 1.00 0.00 N ATOM 84 CA PRO A 6 4.835 12.802 -12.328 1.00 0.00 C ATOM 85 C PRO A 6 4.157 13.952 -11.587 1.00 0.00 C ATOM 86 O PRO A 6 4.030 13.923 -10.362 1.00 0.00 O ATOM 87 CB PRO A 6 3.794 11.798 -12.837 1.00 0.00 C ATOM 88 CG PRO A 6 4.436 10.466 -12.659 1.00 0.00 C ATOM 89 CD PRO A 6 5.274 10.589 -11.421 1.00 0.00 C ATOM 0 HA PRO A 6 5.407 13.276 -13.126 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.865 11.869 -12.271 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.545 11.981 -13.882 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.688 9.681 -12.550 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.048 10.206 -13.523 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.705 10.350 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.131 9.916 -11.444 1.00 0.00 H new ATOM 97 N PRO A 7 3.712 14.986 -12.321 1.00 0.00 N ATOM 98 CA PRO A 7 3.048 16.151 -11.731 1.00 0.00 C ATOM 99 C PRO A 7 1.674 15.809 -11.167 1.00 0.00 C ATOM 100 O PRO A 7 1.376 14.649 -10.880 1.00 0.00 O ATOM 101 CB PRO A 7 2.909 17.133 -12.904 1.00 0.00 C ATOM 102 CG PRO A 7 3.774 16.588 -13.991 1.00 0.00 C ATOM 103 CD PRO A 7 3.823 15.106 -13.781 1.00 0.00 C ATOM 0 HA PRO A 7 3.616 16.552 -10.892 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.872 17.209 -13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.227 18.135 -12.616 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.365 16.829 -14.972 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.773 17.021 -13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.006 14.597 -14.293 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.752 14.674 -14.154 1.00 0.00 H new ATOM 111 N SER A 8 0.838 16.830 -11.017 1.00 0.00 N ATOM 112 CA SER A 8 -0.511 16.650 -10.496 1.00 0.00 C ATOM 113 C SER A 8 -1.541 16.935 -11.579 1.00 0.00 C ATOM 114 O SER A 8 -1.967 18.076 -11.761 1.00 0.00 O ATOM 115 CB SER A 8 -0.745 17.569 -9.295 1.00 0.00 C ATOM 116 OG SER A 8 0.477 18.094 -8.809 1.00 0.00 O ATOM 0 H SER A 8 1.073 17.795 -11.250 1.00 0.00 H new ATOM 0 HA SER A 8 -0.620 15.615 -10.173 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.407 18.386 -9.582 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.247 17.015 -8.502 1.00 0.00 H new ATOM 0 HG SER A 8 0.300 18.679 -8.043 1.00 0.00 H new ATOM 122 N LEU A 9 -1.931 15.894 -12.305 1.00 0.00 N ATOM 123 CA LEU A 9 -2.903 16.038 -13.378 1.00 0.00 C ATOM 124 C LEU A 9 -4.322 16.097 -12.828 1.00 0.00 C ATOM 125 O LEU A 9 -4.702 15.300 -11.969 1.00 0.00 O ATOM 126 CB LEU A 9 -2.779 14.879 -14.366 1.00 0.00 C ATOM 127 CG LEU A 9 -3.685 14.982 -15.594 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.471 16.312 -16.301 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.432 13.823 -16.544 1.00 0.00 C ATOM 0 H LEU A 9 -1.589 14.943 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.694 16.975 -13.895 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.744 14.815 -14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.004 13.949 -13.843 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.722 14.931 -15.263 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.123 16.370 -17.173 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.705 17.129 -15.618 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.432 16.392 -16.619 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.086 13.914 -17.411 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.392 13.840 -16.870 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.636 12.882 -16.033 1.00 0.00 H new ATOM 141 N ASN A 10 -5.101 17.046 -13.331 1.00 0.00 N ATOM 142 CA ASN A 10 -6.480 17.212 -12.895 1.00 0.00 C ATOM 143 C ASN A 10 -7.295 17.957 -13.947 1.00 0.00 C ATOM 144 O ASN A 10 -6.862 18.982 -14.476 1.00 0.00 O ATOM 145 CB ASN A 10 -6.532 17.960 -11.560 1.00 0.00 C ATOM 146 CG ASN A 10 -6.148 19.420 -11.694 1.00 0.00 C ATOM 147 OD1 ASN A 10 -6.948 20.246 -12.136 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.919 19.747 -11.312 1.00 0.00 N ATOM 0 H ASN A 10 -4.800 17.713 -14.042 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.915 16.222 -12.760 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.538 17.889 -11.147 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.862 17.476 -10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.605 20.715 -11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.289 19.030 -10.952 1.00 0.00 H new ATOM 155 N VAL A 11 -8.477 17.433 -14.245 1.00 0.00 N ATOM 156 CA VAL A 11 -9.360 18.039 -15.236 1.00 0.00 C ATOM 157 C VAL A 11 -10.114 19.226 -14.643 1.00 0.00 C ATOM 158 O VAL A 11 -10.587 19.171 -13.508 1.00 0.00 O ATOM 159 CB VAL A 11 -10.377 17.015 -15.772 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.276 17.648 -16.823 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.660 15.799 -16.337 1.00 0.00 C ATOM 0 H VAL A 11 -8.848 16.587 -13.813 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.733 18.385 -16.058 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.005 16.688 -14.943 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.987 16.907 -17.188 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.818 18.484 -16.382 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.668 18.007 -17.653 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.394 15.085 -16.711 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.006 16.108 -17.152 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.065 15.330 -15.553 1.00 0.00 H new ATOM 171 N THR A 12 -10.216 20.301 -15.420 1.00 0.00 N ATOM 172 CA THR A 12 -10.906 21.507 -14.975 1.00 0.00 C ATOM 173 C THR A 12 -11.979 21.921 -15.963 1.00 0.00 C ATOM 174 O THR A 12 -11.709 22.169 -17.139 1.00 0.00 O ATOM 175 CB THR A 12 -9.906 22.647 -14.775 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.341 23.041 -16.012 1.00 0.00 O ATOM 177 CG2 THR A 12 -8.768 22.291 -13.843 1.00 0.00 C ATOM 0 H THR A 12 -9.829 20.361 -16.362 1.00 0.00 H new ATOM 0 HA THR A 12 -11.389 21.286 -14.023 1.00 0.00 H new ATOM 0 HB THR A 12 -10.480 23.458 -14.326 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.082 22.245 -16.522 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.097 23.144 -13.746 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.168 22.031 -12.863 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.219 21.441 -14.248 1.00 0.00 H new ATOM 185 N LYS A 13 -13.201 21.995 -15.464 1.00 0.00 N ATOM 186 CA LYS A 13 -14.346 22.379 -16.280 1.00 0.00 C ATOM 187 C LYS A 13 -14.408 23.893 -16.452 1.00 0.00 C ATOM 188 O LYS A 13 -13.894 24.644 -15.622 1.00 0.00 O ATOM 189 CB LYS A 13 -15.641 21.875 -15.642 1.00 0.00 C ATOM 190 CG LYS A 13 -16.286 20.729 -16.404 1.00 0.00 C ATOM 191 CD LYS A 13 -17.653 21.120 -16.944 1.00 0.00 C ATOM 192 CE LYS A 13 -17.716 20.985 -18.456 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.000 20.381 -18.907 1.00 0.00 N ATOM 0 H LYS A 13 -13.429 21.793 -14.491 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.230 21.924 -17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.432 21.551 -14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.349 22.701 -15.575 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.640 20.429 -17.229 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.386 19.865 -15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.418 20.490 -16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.877 22.148 -16.660 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.597 21.967 -18.913 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.885 20.370 -18.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.165 20.622 -19.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.952 19.347 -18.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.780 20.751 -18.328 1.00 0.00 H new ATOM 207 N ASP A 14 -15.040 24.334 -17.535 1.00 0.00 N ATOM 208 CA ASP A 14 -15.169 25.760 -17.820 1.00 0.00 C ATOM 209 C ASP A 14 -16.565 26.086 -18.341 1.00 0.00 C ATOM 210 O ASP A 14 -16.729 26.930 -19.222 1.00 0.00 O ATOM 211 CB ASP A 14 -14.118 26.196 -18.841 1.00 0.00 C ATOM 212 CG ASP A 14 -12.815 26.613 -18.189 1.00 0.00 C ATOM 213 OD1 ASP A 14 -12.414 25.968 -17.199 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.196 27.587 -18.670 1.00 0.00 O ATOM 0 H ASP A 14 -15.471 23.725 -18.230 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.010 26.306 -16.890 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.928 25.377 -19.535 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.509 27.027 -19.428 1.00 0.00 H new ATOM 219 N GLY A 15 -17.568 25.409 -17.792 1.00 0.00 N ATOM 220 CA GLY A 15 -18.936 25.638 -18.215 1.00 0.00 C ATOM 221 C GLY A 15 -19.414 24.595 -19.204 1.00 0.00 C ATOM 222 O GLY A 15 -20.513 24.056 -19.066 1.00 0.00 O ATOM 0 H GLY A 15 -17.457 24.706 -17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.589 25.634 -17.342 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.014 26.627 -18.667 1.00 0.00 H new ATOM 226 N ASP A 16 -18.585 24.307 -20.202 1.00 0.00 N ATOM 227 CA ASP A 16 -18.928 23.319 -21.217 1.00 0.00 C ATOM 228 C ASP A 16 -17.675 22.789 -21.909 1.00 0.00 C ATOM 229 O ASP A 16 -17.730 22.343 -23.055 1.00 0.00 O ATOM 230 CB ASP A 16 -19.878 23.926 -22.250 1.00 0.00 C ATOM 231 CG ASP A 16 -19.364 25.241 -22.805 1.00 0.00 C ATOM 232 OD1 ASP A 16 -18.237 25.638 -22.441 1.00 0.00 O ATOM 233 OD2 ASP A 16 -20.088 25.873 -23.603 1.00 0.00 O ATOM 0 H ASP A 16 -17.672 24.744 -20.329 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.426 22.486 -20.722 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.020 23.220 -23.068 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.855 24.085 -21.793 1.00 0.00 H new ATOM 238 N SER A 17 -16.549 22.841 -21.206 1.00 0.00 N ATOM 239 CA SER A 17 -15.282 22.367 -21.752 1.00 0.00 C ATOM 240 C SER A 17 -14.474 21.635 -20.685 1.00 0.00 C ATOM 241 O SER A 17 -14.720 21.798 -19.490 1.00 0.00 O ATOM 242 CB SER A 17 -14.471 23.537 -22.310 1.00 0.00 C ATOM 243 OG SER A 17 -14.459 23.521 -23.727 1.00 0.00 O ATOM 0 H SER A 17 -16.488 23.207 -20.256 1.00 0.00 H new ATOM 0 HA SER A 17 -15.501 21.670 -22.561 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.894 24.478 -21.958 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.449 23.487 -21.934 1.00 0.00 H new ATOM 0 HG SER A 17 -13.935 24.280 -24.058 1.00 0.00 H new ATOM 249 N TYR A 18 -13.511 20.829 -21.121 1.00 0.00 N ATOM 250 CA TYR A 18 -12.674 20.075 -20.192 1.00 0.00 C ATOM 251 C TYR A 18 -11.195 20.219 -20.530 1.00 0.00 C ATOM 252 O TYR A 18 -10.753 19.853 -21.619 1.00 0.00 O ATOM 253 CB TYR A 18 -13.066 18.598 -20.204 1.00 0.00 C ATOM 254 CG TYR A 18 -14.504 18.358 -19.816 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.526 18.517 -20.740 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.839 17.976 -18.523 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.844 18.303 -20.391 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.155 17.760 -18.164 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.155 17.924 -19.101 1.00 0.00 C ATOM 260 OH TYR A 18 -18.470 17.711 -18.749 1.00 0.00 O ATOM 0 H TYR A 18 -13.291 20.681 -22.106 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.836 20.485 -19.195 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.893 18.192 -21.201 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.417 18.052 -19.520 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.286 18.814 -21.750 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.059 17.846 -17.788 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.627 18.431 -21.123 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.400 17.464 -17.155 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.527 16.938 -18.149 1.00 0.00 H new ATOM 270 N SER A 19 -10.434 20.744 -19.576 1.00 0.00 N ATOM 271 CA SER A 19 -9.000 20.929 -19.749 1.00 0.00 C ATOM 272 C SER A 19 -8.255 20.370 -18.544 1.00 0.00 C ATOM 273 O SER A 19 -8.685 20.547 -17.405 1.00 0.00 O ATOM 274 CB SER A 19 -8.668 22.410 -19.931 1.00 0.00 C ATOM 275 OG SER A 19 -7.338 22.687 -19.526 1.00 0.00 O ATOM 0 H SER A 19 -10.790 21.050 -18.670 1.00 0.00 H new ATOM 0 HA SER A 19 -8.685 20.392 -20.644 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.799 22.690 -20.976 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.363 23.016 -19.349 1.00 0.00 H new ATOM 0 HG SER A 19 -6.806 22.946 -20.307 1.00 0.00 H new ATOM 281 N LEU A 20 -7.140 19.698 -18.792 1.00 0.00 N ATOM 282 CA LEU A 20 -6.356 19.120 -17.705 1.00 0.00 C ATOM 283 C LEU A 20 -5.479 20.182 -17.058 1.00 0.00 C ATOM 284 O LEU A 20 -5.281 21.258 -17.616 1.00 0.00 O ATOM 285 CB LEU A 20 -5.485 17.952 -18.193 1.00 0.00 C ATOM 286 CG LEU A 20 -5.746 17.465 -19.620 1.00 0.00 C ATOM 287 CD1 LEU A 20 -4.879 16.256 -19.935 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.217 17.134 -19.811 1.00 0.00 C ATOM 0 H LEU A 20 -6.759 19.539 -19.725 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.058 18.733 -16.967 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.439 18.250 -18.119 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.626 17.112 -17.513 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.484 18.266 -20.311 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.077 15.922 -20.954 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.828 16.527 -19.840 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.110 15.451 -19.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.383 16.790 -20.832 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.507 16.350 -19.112 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.817 18.025 -19.627 1.00 0.00 H new ATOM 300 N ARG A 21 -4.958 19.874 -15.877 1.00 0.00 N ATOM 301 CA ARG A 21 -4.102 20.807 -15.156 1.00 0.00 C ATOM 302 C ARG A 21 -2.972 20.068 -14.453 1.00 0.00 C ATOM 303 O ARG A 21 -3.141 19.560 -13.344 1.00 0.00 O ATOM 304 CB ARG A 21 -4.916 21.607 -14.142 1.00 0.00 C ATOM 305 CG ARG A 21 -4.135 22.735 -13.489 1.00 0.00 C ATOM 306 CD ARG A 21 -4.526 24.087 -14.062 1.00 0.00 C ATOM 307 NE ARG A 21 -3.937 25.192 -13.309 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.814 26.426 -13.787 1.00 0.00 C ATOM 309 NH1 ARG A 21 -4.232 26.711 -15.012 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.271 27.376 -13.040 1.00 0.00 N ATOM 0 H ARG A 21 -5.113 18.987 -15.399 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.668 21.497 -15.880 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.792 22.023 -14.639 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.280 20.932 -13.367 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.315 22.729 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.067 22.572 -13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.206 24.146 -15.102 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.612 24.183 -14.057 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.602 25.006 -12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.650 25.982 -15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.136 27.659 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.947 27.161 -12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.177 28.323 -13.408 1.00 0.00 H new ATOM 324 N TRP A 22 -1.824 20.009 -15.112 1.00 0.00 N ATOM 325 CA TRP A 22 -0.658 19.328 -14.564 1.00 0.00 C ATOM 326 C TRP A 22 0.473 20.317 -14.299 1.00 0.00 C ATOM 327 O TRP A 22 1.025 20.908 -15.226 1.00 0.00 O ATOM 328 CB TRP A 22 -0.186 18.240 -15.529 1.00 0.00 C ATOM 329 CG TRP A 22 0.174 18.771 -16.882 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.403 19.186 -17.288 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.699 18.947 -18.004 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.354 19.617 -18.591 1.00 0.00 N ATOM 333 CE2 TRP A 22 0.074 19.480 -19.054 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.055 18.707 -18.224 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.471 19.778 -20.303 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.590 19.003 -19.465 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.801 19.531 -20.485 1.00 0.00 C ATOM 0 H TRP A 22 -1.674 20.426 -16.031 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.942 18.869 -13.617 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.680 17.734 -15.102 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.971 17.492 -15.636 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.291 19.178 -16.674 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.143 19.980 -19.126 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.676 18.298 -17.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.136 20.189 -21.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.639 18.821 -19.647 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.252 19.750 -21.442 1.00 0.00 H new ATOM 348 N GLU A 23 0.813 20.490 -13.025 1.00 0.00 N ATOM 349 CA GLU A 23 1.879 21.405 -12.632 1.00 0.00 C ATOM 350 C GLU A 23 2.935 20.680 -11.803 1.00 0.00 C ATOM 351 O GLU A 23 2.614 20.029 -10.807 1.00 0.00 O ATOM 352 CB GLU A 23 1.302 22.576 -11.833 1.00 0.00 C ATOM 353 CG GLU A 23 2.306 23.683 -11.563 1.00 0.00 C ATOM 354 CD GLU A 23 1.670 25.060 -11.563 1.00 0.00 C ATOM 355 OE1 GLU A 23 1.016 25.412 -10.559 1.00 0.00 O ATOM 356 OE2 GLU A 23 1.825 25.784 -12.569 1.00 0.00 O ATOM 0 H GLU A 23 0.365 20.007 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 23 2.351 21.788 -13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.453 22.992 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.921 22.203 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.784 23.508 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.091 23.649 -12.319 1.00 0.00 H new ATOM 363 N THR A 24 4.194 20.787 -12.219 1.00 0.00 N ATOM 364 CA THR A 24 5.284 20.129 -11.506 1.00 0.00 C ATOM 365 C THR A 24 5.738 20.946 -10.305 1.00 0.00 C ATOM 366 O THR A 24 5.338 22.096 -10.123 1.00 0.00 O ATOM 367 CB THR A 24 6.479 19.887 -12.429 1.00 0.00 C ATOM 368 OG1 THR A 24 6.934 21.104 -12.993 1.00 0.00 O ATOM 369 CG2 THR A 24 6.183 18.936 -13.567 1.00 0.00 C ATOM 0 H THR A 24 4.483 21.319 -13.040 1.00 0.00 H new ATOM 0 HA THR A 24 4.900 19.171 -11.156 1.00 0.00 H new ATOM 0 HB THR A 24 7.241 19.436 -11.794 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.590 20.914 -13.696 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.076 18.812 -14.180 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.883 17.969 -13.164 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.377 19.340 -14.179 1.00 0.00 H new ATOM 377 N MET A 25 6.587 20.331 -9.493 1.00 0.00 N ATOM 378 CA MET A 25 7.128 20.969 -8.301 1.00 0.00 C ATOM 379 C MET A 25 7.979 19.976 -7.522 1.00 0.00 C ATOM 380 O MET A 25 7.945 19.938 -6.292 1.00 0.00 O ATOM 381 CB MET A 25 6.000 21.505 -7.419 1.00 0.00 C ATOM 382 CG MET A 25 4.875 20.507 -7.195 1.00 0.00 C ATOM 383 SD MET A 25 3.298 21.306 -6.843 1.00 0.00 S ATOM 384 CE MET A 25 2.933 22.049 -8.431 1.00 0.00 C ATOM 0 H MET A 25 6.919 19.378 -9.642 1.00 0.00 H new ATOM 0 HA MET A 25 7.752 21.808 -8.607 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.413 21.797 -6.453 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.590 22.406 -7.876 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.770 19.879 -8.080 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.138 19.849 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.864 22.251 -8.501 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.486 22.983 -8.531 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.227 21.366 -9.228 1.00 0.00 H new ATOM 394 N LYS A 26 8.733 19.166 -8.256 1.00 0.00 N ATOM 395 CA LYS A 26 9.592 18.158 -7.653 1.00 0.00 C ATOM 396 C LYS A 26 11.042 18.333 -8.102 1.00 0.00 C ATOM 397 O LYS A 26 11.847 17.406 -8.004 1.00 0.00 O ATOM 398 CB LYS A 26 9.089 16.763 -8.029 1.00 0.00 C ATOM 399 CG LYS A 26 9.393 16.367 -9.466 1.00 0.00 C ATOM 400 CD LYS A 26 10.529 15.361 -9.536 1.00 0.00 C ATOM 401 CE LYS A 26 11.509 15.701 -10.645 1.00 0.00 C ATOM 402 NZ LYS A 26 12.557 14.654 -10.801 1.00 0.00 N ATOM 0 H LYS A 26 8.766 19.189 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 26 9.558 18.277 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.539 16.032 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.011 16.721 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.500 15.942 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.655 17.255 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.054 15.337 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.123 14.363 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.968 15.816 -11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.982 16.659 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.832 14.584 -11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.389 14.908 -10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.183 13.738 -10.480 1.00 0.00 H new ATOM 416 N MET A 27 11.368 19.523 -8.599 1.00 0.00 N ATOM 417 CA MET A 27 12.718 19.811 -9.064 1.00 0.00 C ATOM 418 C MET A 27 13.041 21.294 -8.908 1.00 0.00 C ATOM 419 O MET A 27 14.004 21.662 -8.234 1.00 0.00 O ATOM 420 CB MET A 27 12.877 19.388 -10.528 1.00 0.00 C ATOM 421 CG MET A 27 11.660 19.685 -11.394 1.00 0.00 C ATOM 422 SD MET A 27 11.149 18.266 -12.384 1.00 0.00 S ATOM 423 CE MET A 27 9.422 18.649 -12.668 1.00 0.00 C ATOM 0 H MET A 27 10.715 20.302 -8.689 1.00 0.00 H new ATOM 0 HA MET A 27 13.418 19.241 -8.453 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.744 19.897 -10.950 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.085 18.319 -10.566 1.00 0.00 H new ATOM 0 HG2 MET A 27 10.832 19.995 -10.756 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.885 20.522 -12.055 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.123 18.276 -13.648 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.813 18.175 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.278 19.729 -12.631 1.00 0.00 H new ATOM 433 N ARG A 28 12.230 22.141 -9.532 1.00 0.00 N ATOM 434 CA ARG A 28 12.428 23.585 -9.458 1.00 0.00 C ATOM 435 C ARG A 28 13.861 23.963 -9.824 1.00 0.00 C ATOM 436 O ARG A 28 14.625 24.427 -8.979 1.00 0.00 O ATOM 437 CB ARG A 28 12.100 24.093 -8.052 1.00 0.00 C ATOM 438 CG ARG A 28 10.662 23.840 -7.626 1.00 0.00 C ATOM 439 CD ARG A 28 10.507 23.920 -6.117 1.00 0.00 C ATOM 440 NE ARG A 28 10.556 22.600 -5.490 1.00 0.00 N ATOM 441 CZ ARG A 28 10.361 22.395 -4.192 1.00 0.00 C ATOM 442 NH1 ARG A 28 10.101 23.418 -3.389 1.00 0.00 N ATOM 443 NH2 ARG A 28 10.424 21.167 -3.695 1.00 0.00 N ATOM 0 H ARG A 28 11.429 21.853 -10.095 1.00 0.00 H new ATOM 0 HA ARG A 28 11.755 24.054 -10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.770 23.614 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.299 25.164 -8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.007 24.571 -8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.346 22.857 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.297 24.547 -5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.559 24.401 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 28 10.751 21.792 -6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.051 24.364 -3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.951 23.259 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.623 20.378 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.274 21.012 -2.698 1.00 0.00 H new ATOM 457 N TYR A 29 14.217 23.764 -11.090 1.00 0.00 N ATOM 458 CA TYR A 29 15.557 24.090 -11.566 1.00 0.00 C ATOM 459 C TYR A 29 15.567 25.439 -12.280 1.00 0.00 C ATOM 460 O TYR A 29 16.113 26.418 -11.771 1.00 0.00 O ATOM 461 CB TYR A 29 16.072 22.993 -12.504 1.00 0.00 C ATOM 462 CG TYR A 29 16.556 21.747 -11.788 1.00 0.00 C ATOM 463 CD1 TYR A 29 16.182 21.481 -10.474 1.00 0.00 C ATOM 464 CD2 TYR A 29 17.387 20.835 -12.427 1.00 0.00 C ATOM 465 CE1 TYR A 29 16.623 20.345 -9.822 1.00 0.00 C ATOM 466 CE2 TYR A 29 17.831 19.697 -11.781 1.00 0.00 C ATOM 467 CZ TYR A 29 17.447 19.458 -10.478 1.00 0.00 C ATOM 468 OH TYR A 29 17.888 18.326 -9.832 1.00 0.00 O ATOM 0 H TYR A 29 13.597 23.379 -11.803 1.00 0.00 H new ATOM 0 HA TYR A 29 16.218 24.154 -10.701 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.276 22.716 -13.195 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.889 23.396 -13.104 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.536 22.174 -9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 29 17.691 21.019 -13.447 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.323 20.154 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.475 18.998 -12.294 1.00 0.00 H new ATOM 0 HH TYR A 29 18.459 17.807 -10.435 1.00 0.00 H new ATOM 478 N GLU A 30 14.956 25.482 -13.458 1.00 0.00 N ATOM 479 CA GLU A 30 14.890 26.711 -14.243 1.00 0.00 C ATOM 480 C GLU A 30 13.820 26.604 -15.323 1.00 0.00 C ATOM 481 O GLU A 30 12.948 25.737 -15.260 1.00 0.00 O ATOM 482 CB GLU A 30 16.248 27.010 -14.881 1.00 0.00 C ATOM 483 CG GLU A 30 16.594 28.490 -14.912 1.00 0.00 C ATOM 484 CD GLU A 30 17.510 28.897 -13.775 1.00 0.00 C ATOM 485 OE1 GLU A 30 17.023 29.007 -12.631 1.00 0.00 O ATOM 486 OE2 GLU A 30 18.716 29.103 -14.030 1.00 0.00 O ATOM 0 H GLU A 30 14.499 24.680 -13.892 1.00 0.00 H new ATOM 0 HA GLU A 30 14.627 27.529 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.023 26.476 -14.332 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.254 26.623 -15.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.072 28.728 -15.862 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.676 29.075 -14.862 1.00 0.00 H new ATOM 493 N HIS A 31 13.891 27.485 -16.315 1.00 0.00 N ATOM 494 CA HIS A 31 12.925 27.479 -17.408 1.00 0.00 C ATOM 495 C HIS A 31 13.202 26.326 -18.367 1.00 0.00 C ATOM 496 O HIS A 31 13.469 26.537 -19.551 1.00 0.00 O ATOM 497 CB HIS A 31 12.962 28.810 -18.162 1.00 0.00 C ATOM 498 CG HIS A 31 14.344 29.265 -18.513 1.00 0.00 C ATOM 499 ND1 HIS A 31 15.512 28.582 -18.585 1.00 0.00 N flip ATOM 500 CD2 HIS A 31 14.645 30.570 -18.841 1.00 0.00 C flip ATOM 501 CE1 HIS A 31 16.484 29.478 -18.953 1.00 0.00 C flip ATOM 502 NE2 HIS A 31 15.936 30.670 -19.102 1.00 0.00 N flip ATOM 0 H HIS A 31 14.605 28.210 -16.385 1.00 0.00 H new ATOM 0 HA HIS A 31 11.931 27.344 -16.982 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.377 28.715 -19.077 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.481 29.576 -17.553 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.936 31.384 -18.879 1.00 0.00 H new ATOM 0 HE1 HIS A 31 17.529 29.246 -19.097 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.426 31.523 -19.373 1.00 0.00 H new ATOM 511 N ILE A 32 13.136 25.104 -17.845 1.00 0.00 N ATOM 512 CA ILE A 32 13.377 23.912 -18.647 1.00 0.00 C ATOM 513 C ILE A 32 12.240 23.681 -19.638 1.00 0.00 C ATOM 514 O ILE A 32 11.156 24.247 -19.496 1.00 0.00 O ATOM 515 CB ILE A 32 13.533 22.664 -17.752 1.00 0.00 C ATOM 516 CG1 ILE A 32 14.567 22.923 -16.654 1.00 0.00 C ATOM 517 CG2 ILE A 32 13.935 21.453 -18.581 1.00 0.00 C ATOM 518 CD1 ILE A 32 14.809 21.725 -15.762 1.00 0.00 C ATOM 0 H ILE A 32 12.917 24.915 -16.867 1.00 0.00 H new ATOM 0 HA ILE A 32 14.304 24.074 -19.197 1.00 0.00 H new ATOM 0 HB ILE A 32 12.571 22.455 -17.285 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.509 23.220 -17.115 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.234 23.761 -16.042 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.039 20.585 -17.930 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.169 21.255 -19.331 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.885 21.651 -19.077 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.553 21.978 -15.006 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.877 21.441 -15.273 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.172 20.891 -16.363 1.00 0.00 H new ATOM 530 N ASP A 33 12.493 22.845 -20.642 1.00 0.00 N ATOM 531 CA ASP A 33 11.493 22.534 -21.661 1.00 0.00 C ATOM 532 C ASP A 33 10.631 21.338 -21.256 1.00 0.00 C ATOM 533 O ASP A 33 10.242 20.533 -22.100 1.00 0.00 O ATOM 534 CB ASP A 33 12.186 22.226 -22.980 1.00 0.00 C ATOM 535 CG ASP A 33 13.126 23.332 -23.416 1.00 0.00 C ATOM 536 OD1 ASP A 33 13.341 24.274 -22.624 1.00 0.00 O ATOM 537 OD2 ASP A 33 13.648 23.256 -24.548 1.00 0.00 O ATOM 0 H ASP A 33 13.386 22.369 -20.772 1.00 0.00 H new ATOM 0 HA ASP A 33 10.844 23.403 -21.768 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.745 21.295 -22.884 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.434 22.067 -23.753 1.00 0.00 H new ATOM 542 N HIS A 34 10.345 21.232 -19.962 1.00 0.00 N ATOM 543 CA HIS A 34 9.532 20.139 -19.418 1.00 0.00 C ATOM 544 C HIS A 34 8.397 19.750 -20.365 1.00 0.00 C ATOM 545 O HIS A 34 7.315 20.337 -20.327 1.00 0.00 O ATOM 546 CB HIS A 34 8.945 20.546 -18.064 1.00 0.00 C ATOM 547 CG HIS A 34 9.798 20.165 -16.892 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.232 21.074 -15.951 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.292 18.965 -16.508 1.00 0.00 C ATOM 550 CE1 HIS A 34 10.958 20.449 -15.041 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.010 19.168 -15.356 1.00 0.00 N ATOM 0 H HIS A 34 10.667 21.897 -19.259 1.00 0.00 H new ATOM 0 HA HIS A 34 10.185 19.275 -19.297 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.793 21.625 -18.055 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.964 20.085 -17.951 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.148 18.022 -17.014 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.429 20.908 -14.185 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.503 18.447 -14.829 1.00 0.00 H new ATOM 560 N THR A 35 8.650 18.756 -21.211 1.00 0.00 N ATOM 561 CA THR A 35 7.649 18.290 -22.163 1.00 0.00 C ATOM 562 C THR A 35 6.485 17.626 -21.437 1.00 0.00 C ATOM 563 O THR A 35 6.560 17.361 -20.238 1.00 0.00 O ATOM 564 CB THR A 35 8.275 17.307 -23.155 1.00 0.00 C ATOM 565 OG1 THR A 35 9.674 17.512 -23.247 1.00 0.00 O ATOM 566 CG2 THR A 35 7.700 17.419 -24.550 1.00 0.00 C ATOM 0 H THR A 35 9.539 18.258 -21.256 1.00 0.00 H new ATOM 0 HA THR A 35 7.271 19.153 -22.711 1.00 0.00 H new ATOM 0 HB THR A 35 8.047 16.315 -22.765 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.982 17.268 -24.145 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.187 16.695 -25.203 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.629 17.218 -24.519 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.869 18.425 -24.934 1.00 0.00 H new ATOM 574 N PHE A 36 5.407 17.359 -22.168 1.00 0.00 N ATOM 575 CA PHE A 36 4.232 16.728 -21.580 1.00 0.00 C ATOM 576 C PHE A 36 3.445 15.936 -22.619 1.00 0.00 C ATOM 577 O PHE A 36 2.873 16.507 -23.549 1.00 0.00 O ATOM 578 CB PHE A 36 3.328 17.779 -20.937 1.00 0.00 C ATOM 579 CG PHE A 36 4.011 18.599 -19.881 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.342 18.040 -18.656 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.320 19.929 -20.113 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.968 18.795 -17.682 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.945 20.688 -19.143 1.00 0.00 C ATOM 584 CZ PHE A 36 5.270 20.119 -17.926 1.00 0.00 C ATOM 0 H PHE A 36 5.323 17.569 -23.163 1.00 0.00 H new ATOM 0 HA PHE A 36 4.580 16.034 -20.814 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.950 18.444 -21.713 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.464 17.281 -20.496 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.108 17.004 -18.461 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.069 20.378 -21.063 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.220 18.349 -16.731 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.179 21.725 -19.335 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.760 20.710 -17.167 1.00 0.00 H new ATOM 594 N GLU A 37 3.409 14.619 -22.448 1.00 0.00 N ATOM 595 CA GLU A 37 2.679 13.748 -23.361 1.00 0.00 C ATOM 596 C GLU A 37 1.295 13.437 -22.803 1.00 0.00 C ATOM 597 O GLU A 37 1.152 12.625 -21.890 1.00 0.00 O ATOM 598 CB GLU A 37 3.451 12.448 -23.594 1.00 0.00 C ATOM 599 CG GLU A 37 3.655 12.115 -25.063 1.00 0.00 C ATOM 600 CD GLU A 37 4.648 10.989 -25.274 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.058 10.365 -24.273 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.015 10.731 -26.439 1.00 0.00 O ATOM 0 H GLU A 37 3.877 14.131 -21.685 1.00 0.00 H new ATOM 0 HA GLU A 37 2.568 14.266 -24.314 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.424 12.521 -23.108 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.917 11.627 -23.115 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.698 11.838 -25.505 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.003 13.004 -25.588 1.00 0.00 H new ATOM 609 N ILE A 38 0.280 14.095 -23.351 1.00 0.00 N ATOM 610 CA ILE A 38 -1.091 13.895 -22.896 1.00 0.00 C ATOM 611 C ILE A 38 -1.783 12.787 -23.684 1.00 0.00 C ATOM 612 O ILE A 38 -1.601 12.655 -24.895 1.00 0.00 O ATOM 613 CB ILE A 38 -1.914 15.197 -23.008 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.314 16.279 -22.109 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.373 14.951 -22.643 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.219 17.080 -22.777 1.00 0.00 C ATOM 0 H ILE A 38 0.380 14.770 -24.109 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.037 13.600 -21.848 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.877 15.538 -24.042 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.106 16.957 -21.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.914 15.812 -21.209 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.932 15.883 -22.730 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.797 14.209 -23.320 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.435 14.585 -21.618 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.160 17.829 -22.081 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.592 16.413 -23.070 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.619 17.576 -23.661 1.00 0.00 H new ATOM 628 N GLN A 39 -2.585 12.000 -22.976 1.00 0.00 N ATOM 629 CA GLN A 39 -3.327 10.901 -23.581 1.00 0.00 C ATOM 630 C GLN A 39 -4.672 10.745 -22.882 1.00 0.00 C ATOM 631 O GLN A 39 -4.724 10.411 -21.701 1.00 0.00 O ATOM 632 CB GLN A 39 -2.524 9.603 -23.480 1.00 0.00 C ATOM 633 CG GLN A 39 -3.123 8.454 -24.272 1.00 0.00 C ATOM 634 CD GLN A 39 -2.408 7.140 -24.025 1.00 0.00 C ATOM 635 OE1 GLN A 39 -3.018 6.156 -23.609 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.104 7.119 -24.280 1.00 0.00 N ATOM 0 H GLN A 39 -2.738 12.105 -21.973 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.497 11.122 -24.635 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.509 9.785 -23.832 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.451 9.312 -22.432 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.175 8.346 -24.009 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.083 8.691 -25.335 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.638 7.959 -24.624 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.569 6.263 -24.132 1.00 0.00 H new ATOM 645 N TYR A 40 -5.760 11.010 -23.605 1.00 0.00 N ATOM 646 CA TYR A 40 -7.095 10.917 -23.021 1.00 0.00 C ATOM 647 C TYR A 40 -7.964 9.872 -23.716 1.00 0.00 C ATOM 648 O TYR A 40 -8.307 10.014 -24.890 1.00 0.00 O ATOM 649 CB TYR A 40 -7.789 12.282 -23.076 1.00 0.00 C ATOM 650 CG TYR A 40 -7.797 12.911 -24.453 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.648 13.487 -24.980 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.954 12.932 -25.224 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.651 14.066 -26.236 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.963 13.507 -26.480 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.810 14.073 -26.980 1.00 0.00 C ATOM 656 OH TYR A 40 -7.817 14.649 -28.230 1.00 0.00 O ATOM 0 H TYR A 40 -5.743 11.288 -24.586 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.970 10.603 -21.985 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.817 12.170 -22.733 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.293 12.959 -22.381 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.737 13.483 -24.399 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.860 12.492 -24.835 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.749 14.510 -26.631 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.869 13.513 -27.067 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.926 15.003 -28.432 1.00 0.00 H new ATOM 666 N ARG A 41 -8.344 8.834 -22.968 1.00 0.00 N ATOM 667 CA ARG A 41 -9.203 7.782 -23.501 1.00 0.00 C ATOM 668 C ARG A 41 -10.592 7.889 -22.882 1.00 0.00 C ATOM 669 O ARG A 41 -10.927 8.909 -22.278 1.00 0.00 O ATOM 670 CB ARG A 41 -8.596 6.390 -23.256 1.00 0.00 C ATOM 671 CG ARG A 41 -8.809 5.830 -21.855 1.00 0.00 C ATOM 672 CD ARG A 41 -8.996 4.323 -21.883 1.00 0.00 C ATOM 673 NE ARG A 41 -9.302 3.785 -20.560 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.801 2.571 -20.356 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.040 1.771 -21.386 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.062 2.157 -19.124 1.00 0.00 N ATOM 0 H ARG A 41 -8.070 8.702 -21.994 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.287 7.914 -24.580 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.022 5.693 -23.978 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.525 6.438 -23.452 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.954 6.080 -21.228 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.684 6.298 -21.403 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.802 4.070 -22.572 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.090 3.852 -22.265 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.122 4.375 -19.747 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.841 2.088 -22.335 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.423 0.839 -21.230 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.880 2.771 -18.330 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.445 1.224 -18.970 1.00 0.00 H new ATOM 690 N LYS A 42 -11.406 6.849 -23.033 1.00 0.00 N ATOM 691 CA LYS A 42 -12.757 6.869 -22.481 1.00 0.00 C ATOM 692 C LYS A 42 -13.116 5.549 -21.809 1.00 0.00 C ATOM 693 O LYS A 42 -12.542 4.503 -22.114 1.00 0.00 O ATOM 694 CB LYS A 42 -13.773 7.183 -23.578 1.00 0.00 C ATOM 695 CG LYS A 42 -13.288 8.223 -24.571 1.00 0.00 C ATOM 696 CD LYS A 42 -12.929 7.589 -25.904 1.00 0.00 C ATOM 697 CE LYS A 42 -12.481 8.631 -26.913 1.00 0.00 C ATOM 698 NZ LYS A 42 -11.651 8.036 -27.995 1.00 0.00 N ATOM 0 H LYS A 42 -11.159 5.991 -23.527 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.786 7.650 -21.722 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.013 6.265 -24.114 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.696 7.534 -23.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.063 8.975 -24.721 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.418 8.738 -24.165 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.134 6.857 -25.758 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.791 7.049 -26.295 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.356 9.113 -27.350 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.911 9.408 -26.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.366 8.780 -28.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.803 7.598 -27.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.203 7.313 -28.498 1.00 0.00 H new ATOM 712 N ASP A 43 -14.085 5.610 -20.901 1.00 0.00 N ATOM 713 CA ASP A 43 -14.548 4.429 -20.187 1.00 0.00 C ATOM 714 C ASP A 43 -15.232 3.448 -21.140 1.00 0.00 C ATOM 715 O ASP A 43 -15.478 2.295 -20.784 1.00 0.00 O ATOM 716 CB ASP A 43 -15.518 4.844 -19.079 1.00 0.00 C ATOM 717 CG ASP A 43 -16.179 3.657 -18.402 1.00 0.00 C ATOM 718 OD1 ASP A 43 -17.024 3.001 -19.047 1.00 0.00 O ATOM 719 OD2 ASP A 43 -15.853 3.387 -17.227 1.00 0.00 O ATOM 0 H ASP A 43 -14.566 6.471 -20.642 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.685 3.930 -19.746 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.981 5.430 -18.333 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.287 5.492 -19.499 1.00 0.00 H new ATOM 724 N THR A 44 -15.539 3.910 -22.351 1.00 0.00 N ATOM 725 CA THR A 44 -16.195 3.070 -23.345 1.00 0.00 C ATOM 726 C THR A 44 -15.195 2.584 -24.386 1.00 0.00 C ATOM 727 O THR A 44 -15.298 1.465 -24.888 1.00 0.00 O ATOM 728 CB THR A 44 -17.328 3.839 -24.029 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.874 5.103 -24.481 1.00 0.00 O ATOM 730 CG2 THR A 44 -18.520 4.076 -23.128 1.00 0.00 C ATOM 0 H THR A 44 -15.343 4.861 -22.665 1.00 0.00 H new ATOM 0 HA THR A 44 -16.613 2.203 -22.833 1.00 0.00 H new ATOM 0 HB THR A 44 -17.642 3.210 -24.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.612 5.579 -24.917 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.286 4.626 -23.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.925 3.118 -22.801 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.209 4.655 -22.258 1.00 0.00 H new ATOM 738 N ALA A 45 -14.225 3.434 -24.703 1.00 0.00 N ATOM 739 CA ALA A 45 -13.202 3.092 -25.680 1.00 0.00 C ATOM 740 C ALA A 45 -11.923 2.632 -24.990 1.00 0.00 C ATOM 741 O ALA A 45 -11.813 2.688 -23.765 1.00 0.00 O ATOM 742 CB ALA A 45 -12.919 4.279 -26.587 1.00 0.00 C ATOM 0 H ALA A 45 -14.127 4.364 -24.297 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.574 2.268 -26.289 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.152 4.008 -27.312 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.831 4.561 -27.112 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.570 5.120 -25.988 1.00 0.00 H new ATOM 748 N THR A 46 -10.960 2.179 -25.782 1.00 0.00 N ATOM 749 CA THR A 46 -9.689 1.711 -25.243 1.00 0.00 C ATOM 750 C THR A 46 -8.606 2.771 -25.409 1.00 0.00 C ATOM 751 O THR A 46 -8.671 3.604 -26.313 1.00 0.00 O ATOM 752 CB THR A 46 -9.266 0.415 -25.937 1.00 0.00 C ATOM 753 OG1 THR A 46 -10.353 -0.149 -26.649 1.00 0.00 O ATOM 754 CG2 THR A 46 -8.752 -0.635 -24.975 1.00 0.00 C ATOM 0 H THR A 46 -11.034 2.126 -26.798 1.00 0.00 H new ATOM 0 HA THR A 46 -9.820 1.518 -24.178 1.00 0.00 H new ATOM 0 HB THR A 46 -8.457 0.696 -26.611 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.063 -0.976 -27.088 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.469 -1.529 -25.530 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.883 -0.247 -24.443 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.534 -0.885 -24.258 1.00 0.00 H new ATOM 762 N TRP A 47 -7.611 2.736 -24.528 1.00 0.00 N ATOM 763 CA TRP A 47 -6.511 3.695 -24.573 1.00 0.00 C ATOM 764 C TRP A 47 -5.944 3.810 -25.987 1.00 0.00 C ATOM 765 O TRP A 47 -5.440 4.861 -26.382 1.00 0.00 O ATOM 766 CB TRP A 47 -5.402 3.273 -23.606 1.00 0.00 C ATOM 767 CG TRP A 47 -5.680 3.652 -22.185 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.976 2.808 -21.153 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.691 4.975 -21.638 1.00 0.00 C ATOM 770 NE1 TRP A 47 -6.171 3.526 -19.999 1.00 0.00 N ATOM 771 CE2 TRP A 47 -6.002 4.859 -20.271 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.469 6.246 -22.174 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -6.095 5.967 -19.432 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.561 7.344 -21.341 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.872 7.199 -19.983 1.00 0.00 C ATOM 0 H TRP A 47 -7.543 2.053 -23.773 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.900 4.669 -24.274 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.268 2.193 -23.667 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.463 3.729 -23.919 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.046 1.733 -21.233 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.404 3.132 -19.088 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.230 6.368 -23.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.334 5.857 -18.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.390 8.331 -21.744 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.937 8.078 -19.358 1.00 0.00 H new ATOM 786 N LYS A 48 -6.026 2.717 -26.739 1.00 0.00 N ATOM 787 CA LYS A 48 -5.516 2.682 -28.107 1.00 0.00 C ATOM 788 C LYS A 48 -6.195 3.734 -28.978 1.00 0.00 C ATOM 789 O LYS A 48 -5.570 4.319 -29.863 1.00 0.00 O ATOM 790 CB LYS A 48 -5.726 1.294 -28.716 1.00 0.00 C ATOM 791 CG LYS A 48 -4.929 0.199 -28.028 1.00 0.00 C ATOM 792 CD LYS A 48 -5.832 -0.728 -27.232 1.00 0.00 C ATOM 793 CE LYS A 48 -5.302 -2.153 -27.225 1.00 0.00 C ATOM 794 NZ LYS A 48 -5.843 -2.941 -26.083 1.00 0.00 N ATOM 0 H LYS A 48 -6.442 1.841 -26.424 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.449 2.903 -28.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.786 1.043 -28.670 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.451 1.324 -29.770 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.381 -0.377 -28.773 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.190 0.647 -27.364 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.915 -0.365 -26.208 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.835 -0.714 -27.658 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.566 -2.643 -28.162 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.214 -2.135 -27.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.458 -3.907 -26.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.569 -2.488 -25.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.880 -2.980 -26.149 1.00 0.00 H new ATOM 808 N ASP A 49 -7.479 3.967 -28.726 1.00 0.00 N ATOM 809 CA ASP A 49 -8.242 4.948 -29.493 1.00 0.00 C ATOM 810 C ASP A 49 -7.959 6.364 -29.002 1.00 0.00 C ATOM 811 O ASP A 49 -8.149 7.336 -29.733 1.00 0.00 O ATOM 812 CB ASP A 49 -9.741 4.657 -29.393 1.00 0.00 C ATOM 813 CG ASP A 49 -10.049 3.172 -29.387 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.711 2.491 -30.377 1.00 0.00 O ATOM 815 OD2 ASP A 49 -10.630 2.691 -28.391 1.00 0.00 O ATOM 0 H ASP A 49 -8.013 3.492 -27.999 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.932 4.872 -30.535 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.135 5.109 -28.483 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.255 5.127 -30.231 1.00 0.00 H new ATOM 820 N SER A 50 -7.508 6.473 -27.758 1.00 0.00 N ATOM 821 CA SER A 50 -7.200 7.767 -27.165 1.00 0.00 C ATOM 822 C SER A 50 -6.267 8.574 -28.061 1.00 0.00 C ATOM 823 O SER A 50 -5.477 8.012 -28.819 1.00 0.00 O ATOM 824 CB SER A 50 -6.562 7.575 -25.790 1.00 0.00 C ATOM 825 OG SER A 50 -5.181 7.276 -25.907 1.00 0.00 O ATOM 0 H SER A 50 -7.347 5.678 -27.140 1.00 0.00 H new ATOM 0 HA SER A 50 -8.133 8.320 -27.057 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.693 8.479 -25.195 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.069 6.769 -25.260 1.00 0.00 H new ATOM 0 HG SER A 50 -5.037 6.322 -25.736 1.00 0.00 H new ATOM 831 N LYS A 51 -6.362 9.896 -27.962 1.00 0.00 N ATOM 832 CA LYS A 51 -5.524 10.785 -28.755 1.00 0.00 C ATOM 833 C LYS A 51 -4.293 11.210 -27.962 1.00 0.00 C ATOM 834 O LYS A 51 -4.399 11.610 -26.802 1.00 0.00 O ATOM 835 CB LYS A 51 -6.321 12.014 -29.188 1.00 0.00 C ATOM 836 CG LYS A 51 -6.660 12.023 -30.668 1.00 0.00 C ATOM 837 CD LYS A 51 -6.536 13.416 -31.260 1.00 0.00 C ATOM 838 CE LYS A 51 -7.447 13.594 -32.464 1.00 0.00 C ATOM 839 NZ LYS A 51 -7.167 14.862 -33.192 1.00 0.00 N ATOM 0 H LYS A 51 -7.012 10.375 -27.339 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.194 10.247 -29.644 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.245 12.060 -28.611 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.750 12.911 -28.948 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.996 11.341 -31.198 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.676 11.655 -30.812 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.785 14.158 -30.501 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.502 13.596 -31.555 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.320 12.751 -33.143 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.487 13.586 -32.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.810 14.944 -34.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.313 15.669 -32.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.183 14.860 -33.527 1.00 0.00 H new ATOM 853 N THR A 52 -3.126 11.115 -28.589 1.00 0.00 N ATOM 854 CA THR A 52 -1.875 11.482 -27.934 1.00 0.00 C ATOM 855 C THR A 52 -1.523 12.944 -28.186 1.00 0.00 C ATOM 856 O THR A 52 -1.098 13.312 -29.281 1.00 0.00 O ATOM 857 CB THR A 52 -0.738 10.584 -28.422 1.00 0.00 C ATOM 858 OG1 THR A 52 -0.989 9.231 -28.087 1.00 0.00 O ATOM 859 CG2 THR A 52 0.611 10.959 -27.844 1.00 0.00 C ATOM 0 H THR A 52 -3.020 10.787 -29.549 1.00 0.00 H new ATOM 0 HA THR A 52 -2.010 11.344 -26.861 1.00 0.00 H new ATOM 0 HB THR A 52 -0.703 10.723 -29.503 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.251 8.672 -28.409 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.373 10.283 -28.231 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.856 11.983 -28.127 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.575 10.882 -26.757 1.00 0.00 H new ATOM 867 N GLU A 53 -1.688 13.772 -27.159 1.00 0.00 N ATOM 868 CA GLU A 53 -1.373 15.191 -27.260 1.00 0.00 C ATOM 869 C GLU A 53 0.065 15.445 -26.827 1.00 0.00 C ATOM 870 O GLU A 53 0.535 14.876 -25.841 1.00 0.00 O ATOM 871 CB GLU A 53 -2.331 16.017 -26.399 1.00 0.00 C ATOM 872 CG GLU A 53 -3.302 16.865 -27.206 1.00 0.00 C ATOM 873 CD GLU A 53 -2.609 17.966 -27.987 1.00 0.00 C ATOM 874 OE1 GLU A 53 -1.627 17.663 -28.695 1.00 0.00 O ATOM 875 OE2 GLU A 53 -3.049 19.130 -27.887 1.00 0.00 O ATOM 0 H GLU A 53 -2.039 13.483 -26.246 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.489 15.495 -28.300 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.898 15.345 -25.755 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.749 16.668 -25.747 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.850 16.224 -27.897 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.036 17.309 -26.533 1.00 0.00 H new ATOM 882 N THR A 54 0.765 16.290 -27.572 1.00 0.00 N ATOM 883 CA THR A 54 2.155 16.603 -27.261 1.00 0.00 C ATOM 884 C THR A 54 2.311 18.055 -26.824 1.00 0.00 C ATOM 885 O THR A 54 2.444 18.955 -27.654 1.00 0.00 O ATOM 886 CB THR A 54 3.046 16.328 -28.473 1.00 0.00 C ATOM 887 OG1 THR A 54 2.263 16.111 -29.634 1.00 0.00 O ATOM 888 CG2 THR A 54 3.946 15.125 -28.294 1.00 0.00 C ATOM 0 H THR A 54 0.396 16.770 -28.393 1.00 0.00 H new ATOM 0 HA THR A 54 2.463 15.962 -26.435 1.00 0.00 H new ATOM 0 HB THR A 54 3.670 17.215 -28.579 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.852 15.939 -30.398 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.551 14.987 -29.190 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.599 15.284 -27.436 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.337 14.237 -28.127 1.00 0.00 H new ATOM 896 N LEU A 55 2.307 18.274 -25.514 1.00 0.00 N ATOM 897 CA LEU A 55 2.461 19.615 -24.964 1.00 0.00 C ATOM 898 C LEU A 55 3.929 19.892 -24.653 1.00 0.00 C ATOM 899 O LEU A 55 4.614 19.060 -24.058 1.00 0.00 O ATOM 900 CB LEU A 55 1.615 19.774 -23.698 1.00 0.00 C ATOM 901 CG LEU A 55 0.270 20.476 -23.901 1.00 0.00 C ATOM 902 CD1 LEU A 55 0.480 21.943 -24.232 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.533 19.794 -24.993 1.00 0.00 C ATOM 0 H LEU A 55 2.199 17.540 -24.814 1.00 0.00 H new ATOM 0 HA LEU A 55 2.116 20.335 -25.706 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.432 18.786 -23.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.192 20.334 -22.962 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.294 20.409 -22.971 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.487 22.426 -24.373 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.012 22.428 -23.414 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.066 22.029 -25.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.485 20.309 -25.120 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.025 19.826 -25.929 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.717 18.756 -24.715 1.00 0.00 H new ATOM 915 N GLN A 56 4.408 21.062 -25.062 1.00 0.00 N ATOM 916 CA GLN A 56 5.796 21.440 -24.827 1.00 0.00 C ATOM 917 C GLN A 56 5.991 21.943 -23.402 1.00 0.00 C ATOM 918 O GLN A 56 6.501 21.223 -22.543 1.00 0.00 O ATOM 919 CB GLN A 56 6.232 22.513 -25.828 1.00 0.00 C ATOM 920 CG GLN A 56 7.434 22.111 -26.668 1.00 0.00 C ATOM 921 CD GLN A 56 7.068 21.187 -27.812 1.00 0.00 C ATOM 922 OE1 GLN A 56 6.004 21.319 -28.418 1.00 0.00 O ATOM 923 NE2 GLN A 56 7.951 20.242 -28.114 1.00 0.00 N ATOM 0 H GLN A 56 3.857 21.763 -25.557 1.00 0.00 H new ATOM 0 HA GLN A 56 6.415 20.554 -24.965 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.397 22.741 -26.490 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.468 23.429 -25.286 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.908 23.007 -27.068 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.169 21.619 -26.031 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.820 20.169 -27.586 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.760 19.590 -28.874 1.00 0.00 H new ATOM 932 N ASN A 57 5.583 23.180 -23.160 1.00 0.00 N ATOM 933 CA ASN A 57 5.711 23.786 -21.839 1.00 0.00 C ATOM 934 C ASN A 57 4.375 24.353 -21.369 1.00 0.00 C ATOM 935 O ASN A 57 4.269 25.541 -21.060 1.00 0.00 O ATOM 936 CB ASN A 57 6.767 24.892 -21.855 1.00 0.00 C ATOM 937 CG ASN A 57 8.068 24.449 -22.497 1.00 0.00 C ATOM 938 OD1 ASN A 57 8.234 23.282 -22.853 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.001 25.381 -22.646 1.00 0.00 N ATOM 0 H ASN A 57 5.159 23.787 -23.862 1.00 0.00 H new ATOM 0 HA ASN A 57 6.024 23.008 -21.143 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.376 25.755 -22.394 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.963 25.217 -20.833 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.898 25.142 -23.070 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.822 26.336 -22.337 1.00 0.00 H new ATOM 946 N ALA A 58 3.361 23.498 -21.314 1.00 0.00 N ATOM 947 CA ALA A 58 2.034 23.912 -20.877 1.00 0.00 C ATOM 948 C ALA A 58 1.541 23.036 -19.736 1.00 0.00 C ATOM 949 O ALA A 58 1.696 21.816 -19.769 1.00 0.00 O ATOM 950 CB ALA A 58 1.053 23.861 -22.038 1.00 0.00 C ATOM 0 H ALA A 58 3.433 22.512 -21.567 1.00 0.00 H new ATOM 0 HA ALA A 58 2.101 24.939 -20.517 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.067 24.173 -21.695 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.391 24.530 -22.829 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.998 22.843 -22.423 1.00 0.00 H new ATOM 956 N HIS A 59 0.943 23.659 -18.729 1.00 0.00 N ATOM 957 CA HIS A 59 0.426 22.928 -17.580 1.00 0.00 C ATOM 958 C HIS A 59 -1.064 22.645 -17.743 1.00 0.00 C ATOM 959 O HIS A 59 -1.786 22.474 -16.761 1.00 0.00 O ATOM 960 CB HIS A 59 0.671 23.717 -16.294 1.00 0.00 C ATOM 961 CG HIS A 59 2.087 23.657 -15.813 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.622 24.578 -14.938 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.081 22.779 -16.088 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.884 24.270 -14.694 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.186 23.182 -15.379 1.00 0.00 N ATOM 0 H HIS A 59 0.804 24.669 -18.685 1.00 0.00 H new ATOM 0 HA HIS A 59 0.954 21.976 -17.518 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.396 24.759 -16.459 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.014 23.334 -15.513 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.122 25.373 -14.541 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.017 21.922 -16.742 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.554 24.815 -14.045 1.00 0.00 H new ATOM 974 N SER A 60 -1.518 22.600 -18.992 1.00 0.00 N ATOM 975 CA SER A 60 -2.923 22.340 -19.287 1.00 0.00 C ATOM 976 C SER A 60 -3.207 22.501 -20.776 1.00 0.00 C ATOM 977 O SER A 60 -2.687 23.411 -21.421 1.00 0.00 O ATOM 978 CB SER A 60 -3.817 23.288 -18.488 1.00 0.00 C ATOM 979 OG SER A 60 -3.366 24.627 -18.591 1.00 0.00 O ATOM 0 H SER A 60 -0.933 22.740 -19.816 1.00 0.00 H new ATOM 0 HA SER A 60 -3.141 21.311 -19.000 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.842 23.218 -18.852 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.829 22.985 -17.441 1.00 0.00 H new ATOM 0 HG SER A 60 -3.957 25.212 -18.072 1.00 0.00 H new ATOM 985 N MET A 61 -4.046 21.619 -21.316 1.00 0.00 N ATOM 986 CA MET A 61 -4.406 21.678 -22.725 1.00 0.00 C ATOM 987 C MET A 61 -5.890 22.010 -22.872 1.00 0.00 C ATOM 988 O MET A 61 -6.491 22.594 -21.970 1.00 0.00 O ATOM 989 CB MET A 61 -4.085 20.349 -23.416 1.00 0.00 C ATOM 990 CG MET A 61 -5.039 19.223 -23.057 1.00 0.00 C ATOM 991 SD MET A 61 -4.568 17.651 -23.802 1.00 0.00 S ATOM 992 CE MET A 61 -6.164 17.051 -24.353 1.00 0.00 C ATOM 0 H MET A 61 -4.486 20.858 -20.798 1.00 0.00 H new ATOM 0 HA MET A 61 -3.821 22.463 -23.203 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.104 20.498 -24.496 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.070 20.050 -23.153 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.072 19.112 -21.973 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.046 19.487 -23.381 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.366 16.083 -23.895 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.939 17.759 -24.061 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.158 16.946 -25.438 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.481 21.635 -24.001 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.893 21.898 -24.238 1.00 0.00 C ATOM 1004 C ALA A 62 -8.557 20.732 -24.961 1.00 0.00 C ATOM 1005 O ALA A 62 -8.778 20.790 -26.171 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.066 23.183 -25.033 1.00 0.00 C ATOM 0 H ALA A 62 -6.006 21.150 -24.762 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.381 22.015 -23.270 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.127 23.366 -25.202 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.638 24.016 -24.475 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.557 23.089 -25.992 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.874 19.674 -24.212 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.519 18.483 -24.778 1.00 0.00 C ATOM 1014 C LEU A 63 -10.580 18.867 -25.814 1.00 0.00 C ATOM 1015 O LEU A 63 -11.702 19.226 -25.462 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.165 17.651 -23.669 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.197 17.077 -22.635 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.863 16.990 -21.270 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.701 15.708 -23.074 1.00 0.00 C ATOM 0 H LEU A 63 -8.695 19.616 -23.210 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.748 17.892 -25.273 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.897 18.271 -23.152 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.712 16.827 -24.127 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.340 17.746 -22.557 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.158 16.579 -20.547 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.171 17.986 -20.951 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.738 16.343 -21.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.013 15.313 -22.327 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.548 15.031 -23.180 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.186 15.797 -24.030 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.226 18.814 -27.109 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.130 19.174 -28.195 1.00 0.00 C ATOM 1033 C PRO A 64 -11.938 17.995 -28.734 1.00 0.00 C ATOM 1034 O PRO A 64 -13.156 18.087 -28.886 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.164 19.688 -29.256 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.917 18.881 -29.063 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.901 18.420 -27.620 1.00 0.00 C ATOM 0 HA PRO A 64 -11.889 19.888 -27.876 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.570 19.554 -30.259 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.969 20.753 -29.131 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.903 18.027 -29.740 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.033 19.479 -29.286 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.748 17.343 -27.546 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.098 18.896 -27.057 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.256 16.897 -29.045 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.919 15.718 -29.591 1.00 0.00 C ATOM 1047 C ALA A 65 -12.382 14.761 -28.498 1.00 0.00 C ATOM 1048 O ALA A 65 -11.710 13.774 -28.200 1.00 0.00 O ATOM 1049 CB ALA A 65 -10.993 14.998 -30.559 1.00 0.00 C ATOM 0 H ALA A 65 -10.247 16.799 -28.929 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.807 16.060 -30.122 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.498 14.120 -30.960 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.728 15.669 -31.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.088 14.689 -30.035 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.544 15.044 -27.915 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.097 14.187 -26.872 1.00 0.00 C ATOM 1057 C LEU A 66 -15.490 13.697 -27.264 1.00 0.00 C ATOM 1058 O LEU A 66 -15.941 13.919 -28.387 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.157 14.924 -25.532 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.865 15.634 -25.111 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.900 15.962 -23.625 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.649 14.780 -25.439 1.00 0.00 C ATOM 0 H LEU A 66 -14.117 15.855 -28.146 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.439 13.325 -26.761 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.958 15.662 -25.579 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.427 14.209 -24.755 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.788 16.566 -25.671 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.976 16.466 -23.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.748 16.615 -23.416 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.002 15.041 -23.051 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.743 15.303 -25.132 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.717 13.830 -24.908 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.614 14.594 -26.512 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.166 13.025 -26.336 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.500 12.502 -26.594 1.00 0.00 C ATOM 1076 C GLU A 67 -18.406 12.690 -25.374 1.00 0.00 C ATOM 1077 O GLU A 67 -18.223 12.031 -24.351 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.413 11.016 -26.958 1.00 0.00 C ATOM 1079 CG GLU A 67 -18.754 10.301 -26.949 1.00 0.00 C ATOM 1080 CD GLU A 67 -19.725 10.862 -27.970 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -19.284 11.631 -28.849 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -20.928 10.531 -27.889 1.00 0.00 O ATOM 0 H GLU A 67 -15.810 12.831 -25.400 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.932 13.055 -27.428 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.968 10.920 -27.948 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.742 10.519 -26.257 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.597 9.241 -27.148 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.195 10.377 -25.955 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.405 13.587 -25.466 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.338 13.839 -24.362 1.00 0.00 C ATOM 1091 C PRO A 68 -21.016 12.558 -23.886 1.00 0.00 C ATOM 1092 O PRO A 68 -20.944 11.525 -24.552 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.369 14.795 -24.970 1.00 0.00 C ATOM 1094 CG PRO A 68 -20.662 15.446 -26.108 1.00 0.00 C ATOM 1095 CD PRO A 68 -19.710 14.416 -26.646 1.00 0.00 C ATOM 0 HA PRO A 68 -19.834 14.245 -23.485 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.254 14.257 -25.310 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.704 15.531 -24.240 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -21.368 15.764 -26.875 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.128 16.337 -25.778 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.163 13.828 -27.445 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -18.811 14.875 -27.058 1.00 0.00 H new ATOM 1103 N SER A 69 -21.674 12.628 -22.733 1.00 0.00 N ATOM 1104 CA SER A 69 -22.363 11.468 -22.176 1.00 0.00 C ATOM 1105 C SER A 69 -21.447 10.246 -22.161 1.00 0.00 C ATOM 1106 O SER A 69 -21.860 9.143 -22.521 1.00 0.00 O ATOM 1107 CB SER A 69 -23.626 11.164 -22.985 1.00 0.00 C ATOM 1108 OG SER A 69 -24.618 10.560 -22.175 1.00 0.00 O ATOM 0 H SER A 69 -21.745 13.474 -22.167 1.00 0.00 H new ATOM 0 HA SER A 69 -22.644 11.701 -21.149 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.016 12.086 -23.416 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.379 10.503 -23.816 1.00 0.00 H new ATOM 0 HG SER A 69 -25.415 10.377 -22.715 1.00 0.00 H new ATOM 1114 N THR A 70 -20.202 10.453 -21.744 1.00 0.00 N ATOM 1115 CA THR A 70 -19.223 9.373 -21.684 1.00 0.00 C ATOM 1116 C THR A 70 -18.079 9.740 -20.744 1.00 0.00 C ATOM 1117 O THR A 70 -17.713 10.909 -20.626 1.00 0.00 O ATOM 1118 CB THR A 70 -18.678 9.075 -23.085 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.684 8.504 -23.902 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.494 8.129 -23.091 1.00 0.00 C ATOM 0 H THR A 70 -19.847 11.360 -21.442 1.00 0.00 H new ATOM 0 HA THR A 70 -19.716 8.480 -21.299 1.00 0.00 H new ATOM 0 HB THR A 70 -18.348 10.040 -23.471 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.491 8.349 -23.367 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.164 7.966 -24.117 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.679 8.563 -22.512 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.787 7.177 -22.648 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.516 8.736 -20.085 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.409 8.960 -19.166 1.00 0.00 C ATOM 1130 C ARG A 71 -15.110 9.113 -19.942 1.00 0.00 C ATOM 1131 O ARG A 71 -14.967 8.574 -21.040 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.294 7.803 -18.175 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.694 8.171 -16.758 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.990 6.932 -15.930 1.00 0.00 C ATOM 1135 NE ARG A 71 -17.880 6.010 -16.631 1.00 0.00 N ATOM 1136 CZ ARG A 71 -19.209 6.072 -16.576 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -19.809 7.026 -15.876 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -19.941 5.181 -17.231 1.00 0.00 N ATOM 0 H ARG A 71 -17.807 7.762 -20.169 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.600 9.877 -18.609 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.920 6.979 -18.518 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.266 7.441 -18.170 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.893 8.742 -16.288 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.574 8.814 -16.781 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.056 6.424 -15.690 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.444 7.227 -14.984 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.458 5.274 -17.197 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.252 7.718 -15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.827 7.067 -15.839 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.486 4.449 -17.776 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.959 5.228 -17.189 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.167 9.857 -19.379 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.891 10.079 -20.043 1.00 0.00 C ATOM 1154 C TYR A 72 -11.718 9.916 -19.084 1.00 0.00 C ATOM 1155 O TYR A 72 -11.652 10.568 -18.042 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.860 11.468 -20.681 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.171 11.449 -22.159 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.475 11.289 -22.608 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.161 11.574 -23.104 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.765 11.255 -23.958 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.443 11.545 -24.456 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.746 11.383 -24.878 1.00 0.00 C ATOM 1163 OH TYR A 72 -14.033 11.342 -26.222 1.00 0.00 O ATOM 0 H TYR A 72 -14.261 10.313 -18.472 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.790 9.323 -20.822 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.579 12.111 -20.173 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.875 11.909 -20.529 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.276 11.190 -21.890 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.139 11.696 -22.777 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.785 11.129 -24.291 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.647 11.649 -25.179 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.199 11.282 -26.733 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.792 9.040 -19.456 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.609 8.778 -18.648 1.00 0.00 C ATOM 1175 C TRP A 73 -8.362 9.300 -19.351 1.00 0.00 C ATOM 1176 O TRP A 73 -8.015 8.839 -20.438 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.476 7.280 -18.387 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.623 6.720 -17.607 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.919 6.597 -18.023 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.578 6.212 -16.270 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.681 6.044 -17.021 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.881 5.799 -15.937 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.562 6.069 -15.321 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.193 5.250 -14.697 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.873 5.523 -14.091 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.179 5.120 -13.788 1.00 0.00 C ATOM 0 H TRP A 73 -10.839 8.496 -20.318 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.714 9.296 -17.695 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.401 6.756 -19.340 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.549 7.092 -17.846 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.289 6.890 -18.994 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.680 5.848 -17.076 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.552 6.380 -15.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.200 4.938 -14.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.096 5.405 -13.351 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.390 4.698 -12.817 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.698 10.272 -18.735 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.502 10.854 -19.325 1.00 0.00 C ATOM 1199 C ALA A 74 -5.284 10.694 -18.425 1.00 0.00 C ATOM 1200 O ALA A 74 -5.395 10.308 -17.261 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.734 12.323 -19.650 1.00 0.00 C ATOM 0 H ALA A 74 -7.966 10.670 -17.835 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.296 10.312 -20.248 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.831 12.745 -20.091 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.559 12.413 -20.357 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.978 12.864 -18.736 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.118 10.998 -18.986 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.855 10.900 -18.266 1.00 0.00 C ATOM 1209 C ARG A 75 -1.840 11.861 -18.871 1.00 0.00 C ATOM 1210 O ARG A 75 -2.126 12.523 -19.870 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.322 9.469 -18.324 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.417 8.845 -19.707 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.784 7.463 -19.737 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.726 6.415 -19.350 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.926 6.019 -18.095 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.278 6.604 -17.095 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.779 5.039 -17.837 1.00 0.00 N ATOM 0 H ARG A 75 -4.023 11.318 -19.950 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.022 11.167 -17.223 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.281 9.464 -18.002 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.878 8.853 -17.617 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.463 8.774 -20.005 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.922 9.489 -20.433 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.408 7.259 -20.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.926 7.444 -19.065 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.263 5.959 -20.087 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.622 7.362 -17.286 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.436 6.296 -16.136 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.283 4.587 -18.600 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.932 4.736 -16.875 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.656 11.945 -18.270 1.00 0.00 N ATOM 1232 CA VAL A 76 0.372 12.841 -18.776 1.00 0.00 C ATOM 1233 C VAL A 76 1.765 12.458 -18.286 1.00 0.00 C ATOM 1234 O VAL A 76 1.970 12.191 -17.100 1.00 0.00 O ATOM 1235 CB VAL A 76 0.081 14.299 -18.368 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.202 14.469 -16.861 1.00 0.00 C ATOM 1237 CG2 VAL A 76 1.011 15.254 -19.096 1.00 0.00 C ATOM 0 H VAL A 76 -0.390 11.410 -17.443 1.00 0.00 H new ATOM 0 HA VAL A 76 0.352 12.750 -19.862 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.943 14.538 -18.655 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.007 15.505 -16.594 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.513 13.814 -16.362 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.213 14.210 -16.546 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.790 16.278 -18.795 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.045 15.017 -18.845 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.867 15.153 -20.172 1.00 0.00 H new ATOM 1247 N ARG A 77 2.722 12.453 -19.209 1.00 0.00 N ATOM 1248 CA ARG A 77 4.107 12.131 -18.882 1.00 0.00 C ATOM 1249 C ARG A 77 4.961 13.391 -18.946 1.00 0.00 C ATOM 1250 O ARG A 77 4.936 14.113 -19.939 1.00 0.00 O ATOM 1251 CB ARG A 77 4.666 11.082 -19.845 1.00 0.00 C ATOM 1252 CG ARG A 77 3.828 9.815 -19.918 1.00 0.00 C ATOM 1253 CD ARG A 77 4.635 8.586 -19.537 1.00 0.00 C ATOM 1254 NE ARG A 77 4.648 7.585 -20.599 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.228 6.395 -20.484 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.840 6.062 -19.356 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.196 5.538 -21.494 1.00 0.00 N ATOM 0 H ARG A 77 2.563 12.669 -20.193 1.00 0.00 H new ATOM 0 HA ARG A 77 4.133 11.723 -17.872 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.738 11.518 -20.842 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.678 10.821 -19.537 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.970 9.907 -19.253 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.437 9.695 -20.928 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.658 8.882 -19.307 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.219 8.146 -18.631 1.00 0.00 H new ATOM 0 HE ARG A 77 4.186 7.812 -21.479 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.866 6.719 -18.576 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.285 5.149 -19.268 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.725 5.791 -22.363 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.642 4.625 -21.403 1.00 0.00 H new ATOM 1271 N VAL A 78 5.715 13.655 -17.885 1.00 0.00 N ATOM 1272 CA VAL A 78 6.566 14.838 -17.837 1.00 0.00 C ATOM 1273 C VAL A 78 8.022 14.484 -18.114 1.00 0.00 C ATOM 1274 O VAL A 78 8.629 13.694 -17.393 1.00 0.00 O ATOM 1275 CB VAL A 78 6.471 15.553 -16.475 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.865 14.614 -15.345 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.340 16.803 -16.468 1.00 0.00 C ATOM 0 H VAL A 78 5.755 13.069 -17.051 1.00 0.00 H new ATOM 0 HA VAL A 78 6.206 15.512 -18.614 1.00 0.00 H new ATOM 0 HB VAL A 78 5.436 15.855 -16.317 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.791 15.139 -14.393 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.197 13.753 -15.338 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.890 14.276 -15.494 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.261 17.296 -15.499 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.378 16.525 -16.651 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.004 17.484 -17.250 1.00 0.00 H new ATOM 1287 N ARG A 79 8.577 15.082 -19.163 1.00 0.00 N ATOM 1288 CA ARG A 79 9.964 14.838 -19.537 1.00 0.00 C ATOM 1289 C ARG A 79 10.864 15.951 -19.011 1.00 0.00 C ATOM 1290 O ARG A 79 10.459 17.110 -18.951 1.00 0.00 O ATOM 1291 CB ARG A 79 10.096 14.733 -21.059 1.00 0.00 C ATOM 1292 CG ARG A 79 11.344 13.993 -21.506 1.00 0.00 C ATOM 1293 CD ARG A 79 11.946 14.606 -22.761 1.00 0.00 C ATOM 1294 NE ARG A 79 10.937 14.875 -23.782 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.220 15.026 -25.072 1.00 0.00 C ATOM 1296 NH1 ARG A 79 12.474 14.934 -25.494 1.00 0.00 N ATOM 1297 NH2 ARG A 79 10.249 15.269 -25.941 1.00 0.00 N ATOM 0 H ARG A 79 8.086 15.739 -19.769 1.00 0.00 H new ATOM 0 HA ARG A 79 10.278 13.894 -19.090 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.218 14.224 -21.458 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.105 15.736 -21.486 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.082 14.008 -20.704 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.099 12.948 -21.694 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.455 15.535 -22.502 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.700 13.932 -23.167 1.00 0.00 H new ATOM 0 HE ARG A 79 9.963 14.951 -23.490 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.224 14.747 -24.828 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.689 15.050 -26.484 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.283 15.340 -25.620 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.467 15.385 -26.931 1.00 0.00 H new ATOM 1311 N THR A 80 12.091 15.593 -18.644 1.00 0.00 N ATOM 1312 CA THR A 80 13.049 16.566 -18.137 1.00 0.00 C ATOM 1313 C THR A 80 14.048 16.906 -19.225 1.00 0.00 C ATOM 1314 O THR A 80 15.260 16.831 -19.027 1.00 0.00 O ATOM 1315 CB THR A 80 13.774 16.023 -16.906 1.00 0.00 C ATOM 1316 OG1 THR A 80 13.690 14.610 -16.854 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.229 16.565 -15.601 1.00 0.00 C ATOM 0 H THR A 80 12.444 14.637 -18.689 1.00 0.00 H new ATOM 0 HA THR A 80 12.512 17.468 -17.843 1.00 0.00 H new ATOM 0 HB THR A 80 14.808 16.352 -17.013 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.314 14.221 -17.502 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.788 16.139 -14.768 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.329 17.650 -15.588 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.177 16.296 -15.507 1.00 0.00 H new ATOM 1325 N SER A 81 13.513 17.261 -20.386 1.00 0.00 N ATOM 1326 CA SER A 81 14.315 17.601 -21.554 1.00 0.00 C ATOM 1327 C SER A 81 15.605 18.347 -21.191 1.00 0.00 C ATOM 1328 O SER A 81 16.618 18.217 -21.878 1.00 0.00 O ATOM 1329 CB SER A 81 13.488 18.424 -22.531 1.00 0.00 C ATOM 1330 OG SER A 81 12.518 19.204 -21.852 1.00 0.00 O ATOM 0 H SER A 81 12.507 17.321 -20.545 1.00 0.00 H new ATOM 0 HA SER A 81 14.614 16.663 -22.022 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.144 19.076 -23.107 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.993 17.761 -23.241 1.00 0.00 H new ATOM 0 HG SER A 81 11.766 19.387 -22.453 1.00 0.00 H new ATOM 1336 N ARG A 82 15.555 19.122 -20.104 1.00 0.00 N ATOM 1337 CA ARG A 82 16.707 19.897 -19.628 1.00 0.00 C ATOM 1338 C ARG A 82 17.552 20.438 -20.782 1.00 0.00 C ATOM 1339 O ARG A 82 18.779 20.480 -20.698 1.00 0.00 O ATOM 1340 CB ARG A 82 17.572 19.046 -18.697 1.00 0.00 C ATOM 1341 CG ARG A 82 17.894 19.730 -17.376 1.00 0.00 C ATOM 1342 CD ARG A 82 19.285 20.343 -17.392 1.00 0.00 C ATOM 1343 NE ARG A 82 19.913 20.310 -16.076 1.00 0.00 N ATOM 1344 CZ ARG A 82 19.603 21.147 -15.091 1.00 0.00 C ATOM 1345 NH1 ARG A 82 18.676 22.078 -15.275 1.00 0.00 N ATOM 1346 NH2 ARG A 82 20.221 21.054 -13.921 1.00 0.00 N ATOM 0 H ARG A 82 14.719 19.231 -19.530 1.00 0.00 H new ATOM 0 HA ARG A 82 16.317 20.753 -19.077 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.059 18.106 -18.495 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.504 18.798 -19.205 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.155 20.506 -17.177 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.823 19.007 -16.564 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.910 19.805 -18.105 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.222 21.375 -17.738 1.00 0.00 H new ATOM 0 HE ARG A 82 20.630 19.606 -15.902 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.199 22.153 -16.174 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.440 22.719 -14.518 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.935 20.340 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.982 21.697 -13.166 1.00 0.00 H new ATOM 1360 N THR A 83 16.882 20.853 -21.852 1.00 0.00 N ATOM 1361 CA THR A 83 17.560 21.398 -23.025 1.00 0.00 C ATOM 1362 C THR A 83 18.310 20.312 -23.793 1.00 0.00 C ATOM 1363 O THR A 83 18.023 20.059 -24.962 1.00 0.00 O ATOM 1364 CB THR A 83 18.527 22.517 -22.620 1.00 0.00 C ATOM 1365 OG1 THR A 83 19.798 21.990 -22.284 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.040 23.333 -21.441 1.00 0.00 C ATOM 0 H THR A 83 15.866 20.822 -21.932 1.00 0.00 H new ATOM 0 HA THR A 83 16.795 21.811 -23.682 1.00 0.00 H new ATOM 0 HB THR A 83 18.591 23.169 -23.491 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.748 21.547 -21.411 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.771 24.107 -21.207 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.086 23.798 -21.690 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.912 22.682 -20.576 1.00 0.00 H new ATOM 1374 N GLY A 84 19.278 19.678 -23.136 1.00 0.00 N ATOM 1375 CA GLY A 84 20.052 18.637 -23.789 1.00 0.00 C ATOM 1376 C GLY A 84 20.268 17.421 -22.909 1.00 0.00 C ATOM 1377 O GLY A 84 21.358 16.848 -22.889 1.00 0.00 O ATOM 0 H GLY A 84 19.539 19.866 -22.168 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.542 18.332 -24.703 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.020 19.042 -24.084 1.00 0.00 H new ATOM 1381 N TYR A 85 19.229 17.022 -22.185 1.00 0.00 N ATOM 1382 CA TYR A 85 19.313 15.862 -21.305 1.00 0.00 C ATOM 1383 C TYR A 85 18.960 14.584 -22.075 1.00 0.00 C ATOM 1384 O TYR A 85 18.611 14.638 -23.255 1.00 0.00 O ATOM 1385 CB TYR A 85 18.398 16.073 -20.077 1.00 0.00 C ATOM 1386 CG TYR A 85 17.153 15.213 -20.028 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.187 15.326 -21.011 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.945 14.300 -19.003 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.038 14.561 -20.980 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.801 13.527 -18.959 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.848 13.662 -19.950 1.00 0.00 C ATOM 1392 OH TYR A 85 13.710 12.890 -19.910 1.00 0.00 O ATOM 0 H TYR A 85 18.319 17.484 -22.190 1.00 0.00 H new ATOM 0 HA TYR A 85 20.335 15.748 -20.943 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.982 15.886 -19.176 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.095 17.120 -20.049 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.334 16.027 -21.819 1.00 0.00 H new ATOM 0 HD2 TYR A 85 17.689 14.192 -18.228 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.294 14.665 -21.756 1.00 0.00 H new ATOM 0 HE2 TYR A 85 15.653 12.821 -18.155 1.00 0.00 H new ATOM 0 HH TYR A 85 13.365 12.863 -18.993 1.00 0.00 H new ATOM 1402 N ASN A 86 19.051 13.441 -21.403 1.00 0.00 N ATOM 1403 CA ASN A 86 18.739 12.160 -22.028 1.00 0.00 C ATOM 1404 C ASN A 86 17.233 11.900 -22.008 1.00 0.00 C ATOM 1405 O ASN A 86 16.599 11.959 -20.959 1.00 0.00 O ATOM 1406 CB ASN A 86 19.511 11.036 -21.331 1.00 0.00 C ATOM 1407 CG ASN A 86 18.884 10.642 -20.022 1.00 0.00 C ATOM 1408 OD1 ASN A 86 17.771 9.941 -20.111 1.00 0.00 O flip ATOM 1409 ND2 ASN A 86 19.391 10.961 -18.947 1.00 0.00 N flip ATOM 0 H ASN A 86 19.338 13.375 -20.426 1.00 0.00 H new ATOM 0 HA ASN A 86 19.050 12.190 -23.072 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.555 10.167 -21.987 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.538 11.356 -21.158 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.254 11.505 -18.931 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.948 10.682 -18.072 1.00 0.00 H new ATOM 1416 N GLY A 87 16.663 11.623 -23.177 1.00 0.00 N ATOM 1417 CA GLY A 87 15.235 11.370 -23.263 1.00 0.00 C ATOM 1418 C GLY A 87 14.820 10.099 -22.545 1.00 0.00 C ATOM 1419 O GLY A 87 14.884 9.010 -23.113 1.00 0.00 O ATOM 0 H GLY A 87 17.163 11.569 -24.065 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.694 12.215 -22.838 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.945 11.301 -24.311 1.00 0.00 H new ATOM 1423 N ILE A 88 14.397 10.238 -21.291 1.00 0.00 N ATOM 1424 CA ILE A 88 13.976 9.095 -20.496 1.00 0.00 C ATOM 1425 C ILE A 88 12.480 9.149 -20.200 1.00 0.00 C ATOM 1426 O ILE A 88 11.790 8.133 -20.273 1.00 0.00 O ATOM 1427 CB ILE A 88 14.781 9.022 -19.173 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.095 8.120 -18.143 1.00 0.00 C ATOM 1429 CG2 ILE A 88 14.986 10.416 -18.597 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.089 6.657 -18.525 1.00 0.00 C ATOM 0 H ILE A 88 14.338 11.133 -20.806 1.00 0.00 H new ATOM 0 HA ILE A 88 14.176 8.195 -21.078 1.00 0.00 H new ATOM 0 HB ILE A 88 15.753 8.586 -19.404 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.597 8.234 -17.182 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.067 8.455 -18.007 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.553 10.346 -17.669 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.535 11.028 -19.312 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.017 10.873 -18.397 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.587 6.080 -17.748 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.561 6.530 -19.470 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.115 6.305 -18.632 1.00 0.00 H new ATOM 1442 N TRP A 89 12.010 10.334 -19.846 1.00 0.00 N ATOM 1443 CA TRP A 89 10.602 10.563 -19.513 1.00 0.00 C ATOM 1444 C TRP A 89 10.235 9.986 -18.156 1.00 0.00 C ATOM 1445 O TRP A 89 10.989 9.215 -17.561 1.00 0.00 O ATOM 1446 CB TRP A 89 9.680 9.979 -20.579 1.00 0.00 C ATOM 1447 CG TRP A 89 9.681 10.782 -21.829 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.651 10.800 -22.780 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.673 11.698 -22.251 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.303 11.670 -23.787 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.087 12.235 -23.482 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.456 12.110 -21.705 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.322 13.169 -24.179 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.698 13.036 -22.393 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.132 13.556 -23.620 1.00 0.00 C ATOM 0 H TRP A 89 12.591 11.170 -19.779 1.00 0.00 H new ATOM 0 HA TRP A 89 10.466 11.644 -19.474 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.991 8.959 -20.805 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.665 9.923 -20.187 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.560 10.218 -22.750 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.856 11.864 -24.622 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.114 11.711 -20.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.655 13.572 -25.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.756 13.365 -21.979 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.515 14.277 -24.136 1.00 0.00 H new ATOM 1466 N SER A 90 9.059 10.375 -17.680 1.00 0.00 N ATOM 1467 CA SER A 90 8.550 9.918 -16.398 1.00 0.00 C ATOM 1468 C SER A 90 7.488 8.849 -16.600 1.00 0.00 C ATOM 1469 O SER A 90 7.097 8.554 -17.730 1.00 0.00 O ATOM 1470 CB SER A 90 7.957 11.095 -15.623 1.00 0.00 C ATOM 1471 OG SER A 90 6.620 11.348 -16.023 1.00 0.00 O ATOM 0 H SER A 90 8.435 11.014 -18.172 1.00 0.00 H new ATOM 0 HA SER A 90 9.375 9.491 -15.828 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.986 10.882 -14.554 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.564 11.985 -15.787 1.00 0.00 H new ATOM 0 HG SER A 90 6.079 11.566 -15.236 1.00 0.00 H new ATOM 1477 N GLU A 91 7.013 8.278 -15.502 1.00 0.00 N ATOM 1478 CA GLU A 91 5.983 7.253 -15.565 1.00 0.00 C ATOM 1479 C GLU A 91 4.613 7.896 -15.730 1.00 0.00 C ATOM 1480 O GLU A 91 4.321 8.918 -15.108 1.00 0.00 O ATOM 1481 CB GLU A 91 6.012 6.390 -14.302 1.00 0.00 C ATOM 1482 CG GLU A 91 6.907 5.167 -14.420 1.00 0.00 C ATOM 1483 CD GLU A 91 6.713 4.194 -13.273 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.111 4.592 -12.254 1.00 0.00 O ATOM 1485 OE2 GLU A 91 7.162 3.036 -13.396 1.00 0.00 O ATOM 0 H GLU A 91 7.325 8.507 -14.558 1.00 0.00 H new ATOM 0 HA GLU A 91 6.179 6.615 -16.427 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.352 6.999 -13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.997 6.066 -14.070 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.701 4.659 -15.362 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.949 5.485 -14.451 1.00 0.00 H new ATOM 1492 N TRP A 92 3.775 7.300 -16.575 1.00 0.00 N ATOM 1493 CA TRP A 92 2.432 7.821 -16.828 1.00 0.00 C ATOM 1494 C TRP A 92 1.765 8.282 -15.534 1.00 0.00 C ATOM 1495 O TRP A 92 1.412 7.467 -14.680 1.00 0.00 O ATOM 1496 CB TRP A 92 1.570 6.755 -17.505 1.00 0.00 C ATOM 1497 CG TRP A 92 1.842 6.602 -18.971 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.477 5.558 -19.580 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.485 7.519 -20.015 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.534 5.766 -20.937 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.932 6.963 -21.228 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.831 8.755 -20.041 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.743 7.599 -22.453 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.645 9.385 -21.258 1.00 0.00 C ATOM 1505 CH2 TRP A 92 1.099 8.806 -22.450 1.00 0.00 C ATOM 0 H TRP A 92 4.002 6.454 -17.098 1.00 0.00 H new ATOM 0 HA TRP A 92 2.526 8.682 -17.490 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.738 5.798 -17.012 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.519 7.007 -17.364 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.876 4.694 -19.069 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.955 5.133 -21.617 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.478 9.209 -19.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.093 7.155 -23.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.141 10.340 -21.290 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.938 9.322 -23.385 1.00 0.00 H new ATOM 1516 N SER A 93 1.602 9.596 -15.392 1.00 0.00 N ATOM 1517 CA SER A 93 0.984 10.172 -14.199 1.00 0.00 C ATOM 1518 C SER A 93 -0.263 9.391 -13.789 1.00 0.00 C ATOM 1519 O SER A 93 -0.772 8.570 -14.552 1.00 0.00 O ATOM 1520 CB SER A 93 0.619 11.638 -14.449 1.00 0.00 C ATOM 1521 OG SER A 93 -0.238 11.766 -15.570 1.00 0.00 O ATOM 0 H SER A 93 1.890 10.283 -16.089 1.00 0.00 H new ATOM 0 HA SER A 93 1.707 10.112 -13.386 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.131 12.050 -13.566 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.526 12.219 -14.613 1.00 0.00 H new ATOM 0 HG SER A 93 -1.101 12.131 -15.282 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.747 9.650 -12.578 1.00 0.00 N ATOM 1528 CA GLU A 94 -1.931 8.969 -12.069 1.00 0.00 C ATOM 1529 C GLU A 94 -3.097 9.095 -13.042 1.00 0.00 C ATOM 1530 O GLU A 94 -3.462 10.196 -13.454 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.324 9.541 -10.706 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.335 8.688 -9.959 1.00 0.00 C ATOM 1533 CD GLU A 94 -2.768 7.345 -9.535 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -1.571 7.292 -9.184 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -3.522 6.350 -9.554 1.00 0.00 O ATOM 0 H GLU A 94 -0.338 10.325 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.691 7.912 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.428 9.648 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.736 10.540 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.678 9.228 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.207 8.526 -10.593 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.679 7.957 -13.407 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.804 7.937 -14.332 1.00 0.00 C ATOM 1544 C ALA A 95 -6.066 8.486 -13.675 1.00 0.00 C ATOM 1545 O ALA A 95 -6.551 7.939 -12.685 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.044 6.522 -14.837 1.00 0.00 C ATOM 0 H ALA A 95 -3.389 7.037 -13.076 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.558 8.578 -15.178 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.887 6.520 -15.528 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.153 6.163 -15.352 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.264 5.867 -13.994 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.594 9.570 -14.234 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.800 10.193 -13.703 1.00 0.00 C ATOM 1554 C ARG A 96 -8.955 10.079 -14.694 1.00 0.00 C ATOM 1555 O ARG A 96 -8.749 10.085 -15.908 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.541 11.664 -13.373 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.570 11.865 -12.221 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.243 12.542 -11.037 1.00 0.00 C ATOM 1559 NE ARG A 96 -6.271 13.134 -10.122 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.623 12.446 -9.186 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -5.842 11.144 -9.046 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -4.755 13.056 -8.392 1.00 0.00 N ATOM 0 H ARG A 96 -6.205 10.035 -15.055 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.075 9.667 -12.789 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.149 12.163 -14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.488 12.145 -13.128 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.168 10.901 -11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.727 12.469 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.920 13.316 -11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.850 11.814 -10.500 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.078 14.132 -10.205 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.508 10.670 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.344 10.617 -8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.582 14.056 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.260 12.526 -7.675 1.00 0.00 H new ATOM 1576 N SER A 97 -10.172 9.976 -14.168 1.00 0.00 N ATOM 1577 CA SER A 97 -11.361 9.860 -15.004 1.00 0.00 C ATOM 1578 C SER A 97 -12.362 10.966 -14.685 1.00 0.00 C ATOM 1579 O SER A 97 -12.632 11.256 -13.518 1.00 0.00 O ATOM 1580 CB SER A 97 -12.016 8.491 -14.805 1.00 0.00 C ATOM 1581 OG SER A 97 -12.997 8.535 -13.784 1.00 0.00 O ATOM 0 H SER A 97 -10.360 9.971 -13.166 1.00 0.00 H new ATOM 0 HA SER A 97 -11.054 9.962 -16.045 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.474 8.165 -15.739 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.254 7.754 -14.549 1.00 0.00 H new ATOM 0 HG SER A 97 -13.410 7.651 -13.689 1.00 0.00 H new ATOM 1587 N TRP A 98 -12.912 11.582 -15.727 1.00 0.00 N ATOM 1588 CA TRP A 98 -13.884 12.654 -15.554 1.00 0.00 C ATOM 1589 C TRP A 98 -15.075 12.466 -16.491 1.00 0.00 C ATOM 1590 O TRP A 98 -14.994 11.731 -17.475 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.220 14.016 -15.794 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.022 14.356 -17.242 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -13.851 15.105 -18.025 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -11.927 13.963 -18.078 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.337 15.202 -19.295 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.157 14.508 -19.351 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.774 13.204 -17.877 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.275 14.318 -20.409 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.901 13.015 -18.929 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.157 13.572 -20.182 1.00 0.00 C ATOM 0 H TRP A 98 -12.701 11.357 -16.699 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.253 12.620 -14.529 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.829 14.792 -15.330 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.252 14.029 -15.293 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.775 15.555 -17.695 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.764 15.708 -20.070 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.567 12.770 -16.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.470 14.748 -21.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.007 12.428 -18.780 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.456 13.409 -20.987 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.181 13.131 -16.176 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.389 13.034 -16.988 1.00 0.00 C ATOM 1613 C ASP A 99 -17.456 14.167 -18.005 1.00 0.00 C ATOM 1614 O ASP A 99 -16.971 15.266 -17.752 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.630 13.064 -16.096 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.440 12.274 -14.816 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.734 11.061 -14.817 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -17.995 12.871 -13.812 1.00 0.00 O ATOM 0 H ASP A 99 -16.266 13.743 -15.364 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.357 12.087 -17.528 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.872 14.098 -15.849 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.480 12.660 -16.646 1.00 0.00 H new ATOM 1623 N THR A 100 -18.062 13.890 -19.154 1.00 0.00 N ATOM 1624 CA THR A 100 -18.193 14.889 -20.210 1.00 0.00 C ATOM 1625 C THR A 100 -19.583 15.529 -20.207 1.00 0.00 C ATOM 1626 O THR A 100 -19.817 16.518 -20.901 1.00 0.00 O ATOM 1627 CB THR A 100 -17.915 14.254 -21.573 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.750 13.128 -21.782 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.482 13.799 -21.739 1.00 0.00 C ATOM 0 H THR A 100 -18.470 12.983 -19.379 1.00 0.00 H new ATOM 0 HA THR A 100 -17.460 15.673 -20.019 1.00 0.00 H new ATOM 0 HB THR A 100 -18.118 15.037 -22.303 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.307 12.324 -21.440 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.352 13.358 -22.727 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.814 14.654 -21.633 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.245 13.057 -20.977 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.503 14.962 -19.426 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.863 15.485 -19.344 1.00 0.00 C ATOM 1639 C GLU A 101 -22.581 15.356 -20.684 1.00 0.00 C ATOM 1640 O GLU A 101 -21.990 14.937 -21.679 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.848 16.951 -18.901 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.293 17.157 -17.501 1.00 0.00 C ATOM 1643 CD GLU A 101 -22.345 17.646 -16.524 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.537 17.334 -16.729 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -21.976 18.344 -15.556 1.00 0.00 O ATOM 0 H GLU A 101 -20.330 14.143 -18.843 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.403 14.895 -18.604 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.253 17.530 -19.608 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.864 17.345 -18.942 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.874 16.218 -17.138 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.476 17.877 -17.540 1.00 0.00 H new ATOM 1652 N SER A 102 -23.860 15.720 -20.702 1.00 0.00 N ATOM 1653 CA SER A 102 -24.660 15.645 -21.919 1.00 0.00 C ATOM 1654 C SER A 102 -24.905 17.034 -22.496 1.00 0.00 C ATOM 1655 O SER A 102 -25.299 17.933 -21.723 1.00 0.00 O ATOM 1656 CB SER A 102 -25.996 14.956 -21.635 1.00 0.00 C ATOM 1657 OG SER A 102 -26.668 15.573 -20.551 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.704 17.212 -23.716 1.00 0.00 O ATOM 0 H SER A 102 -24.364 16.070 -19.887 1.00 0.00 H new ATOM 0 HA SER A 102 -24.105 15.059 -22.652 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.624 14.993 -22.525 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.825 13.903 -21.409 1.00 0.00 H new ATOM 0 HG SER A 102 -26.429 16.523 -20.516 1.00 0.00 H new TER 1664 SER A 102