USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1077 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: B 117 SER OG : rot 150:sc= -0.104 USER MOD Set 1.2: B 119 HIS : no HE2:sc= -1.03 K(o=-1.1,f=-4.3!) USER MOD Set 2.1: B 93 SER OG : rot 180:sc= 0.731 USER MOD Set 2.2: B 104 TYR OH : rot -179:sc= 0.785 USER MOD Set 3.1: B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 114 CYS SG : rot 28:sc= -1.57! USER MOD Set 4.1: A 25 GLN : amide:sc= 1.09 K(o=1.1,f=-2.4) USER MOD Set 4.2: A 65 MET CE :methyl 176:sc= 0 (180deg=-0.0084) USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 0.15 USER MOD Set 5.2: A 57 THR OG1 : rot 90:sc= 0.152 USER MOD Set 6.1: A 4 ASN : amide:sc= 0.0939 X(o=0.094,f=0) USER MOD Set 6.2: A 48 TYR OH : rot 130:sc= 0 USER MOD Set 7.1: A 14 THR OG1 : rot -38:sc= 0.38 USER MOD Set 7.2: A 42 LYS NZ :NH3+ -176:sc= 0.279 (180deg=0.0669) USER MOD Set 8.1: A 15 CYS SG : rot -153:sc= -0.232! USER MOD Set 8.2: A 17 SER OG : rot -158:sc= 0.913 USER MOD Set 8.3: A 18 CYS SG : rot 180:sc= -1.02! USER MOD Set 8.4: A 21 THR OG1 : rot -75:sc= 1.39 USER MOD Set 8.5: B 85 CYS SG : rot 161:sc= -0.865! USER MOD Set 8.6: B 133 LYS NZ :NH3+ -171:sc= 1.69 (180deg=-0.261) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 166:sc= 1.27 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 13 MET CE :methyl -161:sc= -0.249 (180deg=-0.653) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.074) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.573 K(o=0.57,f=-0.42) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.514 K(o=-0.51,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0.658 (180deg=0.41) USER MOD Single : A 59 GLN : amide:sc= 0.213 K(o=0.21,f=-0.31) USER MOD Single : A 72 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.38) USER MOD Single : A 73 ASN : amide:sc= -0.091 X(o=-0.091,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 77 HIS : no HD1:sc= -0.039 X(o=-0.039,f=-0.0074) USER MOD Single : B 80 SER OG : rot 37:sc= 0.324 USER MOD Single : B 83 MET CE :methyl -163:sc=-0.00868 (180deg=-0.438) USER MOD Single : B 84 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : B 88 CYS SG : rot 180:sc= -1.13 USER MOD Single : B 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 LYS NZ :NH3+ -167:sc= 0.884 (180deg=0.719) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 ASN : amide:sc= -0.342 K(o=-0.34,f=-3!) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ -167:sc= 1.18 (180deg=1.02) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl 160:sc= -0.188 (180deg=-1.59) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 85:sc= 1.26 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 THR OG1 : rot 87:sc= 1.36 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 165:sc=-0.00899 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -8.276 -8.730 27.444 1.00 0.00 N ATOM 21 CA GLY A 2 -7.041 -9.508 27.262 1.00 0.00 C ATOM 22 C GLY A 2 -6.790 -9.816 25.783 1.00 0.00 C ATOM 23 O GLY A 2 -7.723 -9.772 24.979 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.196 -8.953 27.669 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.110 -10.440 27.823 1.00 0.00 H new ATOM 27 N VAL A 3 -5.551 -10.154 25.415 1.00 0.00 N ATOM 28 CA VAL A 3 -5.091 -10.145 24.008 1.00 0.00 C ATOM 29 C VAL A 3 -5.960 -11.014 23.093 1.00 0.00 C ATOM 30 O VAL A 3 -6.313 -12.142 23.442 1.00 0.00 O ATOM 31 CB VAL A 3 -3.619 -10.588 23.822 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.621 -9.506 24.243 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.255 -11.930 24.477 1.00 0.00 C ATOM 0 H VAL A 3 -4.832 -10.443 26.078 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.180 -9.097 23.724 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.538 -10.745 22.746 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.605 -9.870 24.092 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.779 -8.611 23.641 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.767 -9.266 25.296 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.204 -12.153 24.291 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.428 -11.869 25.551 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.874 -12.721 24.054 1.00 0.00 H new ATOM 43 N ASN A 4 -6.296 -10.478 21.916 1.00 0.00 N ATOM 44 CA ASN A 4 -7.126 -11.127 20.903 1.00 0.00 C ATOM 45 C ASN A 4 -6.349 -11.280 19.583 1.00 0.00 C ATOM 46 O ASN A 4 -5.835 -10.297 19.049 1.00 0.00 O ATOM 47 CB ASN A 4 -8.401 -10.290 20.720 1.00 0.00 C ATOM 48 CG ASN A 4 -9.399 -10.985 19.806 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.986 -11.995 20.173 1.00 0.00 O ATOM 50 ND2 ASN A 4 -9.596 -10.479 18.603 1.00 0.00 N ATOM 0 H ASN A 4 -5.986 -9.548 21.635 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.400 -12.132 21.223 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.861 -10.109 21.691 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.142 -9.317 20.304 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.247 -10.930 17.960 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.097 -9.637 18.316 1.00 0.00 H new ATOM 57 N SER A 5 -6.244 -12.499 19.053 1.00 0.00 N ATOM 58 CA SER A 5 -5.530 -12.771 17.796 1.00 0.00 C ATOM 59 C SER A 5 -6.487 -12.977 16.611 1.00 0.00 C ATOM 60 O SER A 5 -7.491 -13.687 16.737 1.00 0.00 O ATOM 61 CB SER A 5 -4.626 -13.997 17.943 1.00 0.00 C ATOM 62 OG SER A 5 -3.775 -14.063 16.813 1.00 0.00 O ATOM 0 H SER A 5 -6.651 -13.330 19.481 1.00 0.00 H new ATOM 0 HA SER A 5 -4.923 -11.891 17.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.037 -13.927 18.858 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.226 -14.904 18.019 1.00 0.00 H new ATOM 0 HG SER A 5 -3.187 -14.843 16.892 1.00 0.00 H new ATOM 68 N VAL A 6 -6.159 -12.399 15.450 1.00 0.00 N ATOM 69 CA VAL A 6 -6.945 -12.485 14.205 1.00 0.00 C ATOM 70 C VAL A 6 -6.035 -12.799 13.013 1.00 0.00 C ATOM 71 O VAL A 6 -4.914 -12.297 12.925 1.00 0.00 O ATOM 72 CB VAL A 6 -7.743 -11.179 13.955 1.00 0.00 C ATOM 73 CG1 VAL A 6 -8.420 -11.118 12.574 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.845 -11.027 15.016 1.00 0.00 C ATOM 0 H VAL A 6 -5.313 -11.840 15.343 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.661 -13.299 14.316 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.009 -10.375 14.007 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.958 -10.176 12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.662 -11.187 11.794 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.120 -11.948 12.475 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.401 -10.107 14.834 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.523 -11.878 14.961 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.393 -10.987 16.007 1.00 0.00 H new ATOM 84 N THR A 7 -6.557 -13.610 12.087 1.00 0.00 N ATOM 85 CA THR A 7 -5.957 -13.938 10.782 1.00 0.00 C ATOM 86 C THR A 7 -6.727 -13.225 9.671 1.00 0.00 C ATOM 87 O THR A 7 -7.953 -13.150 9.710 1.00 0.00 O ATOM 88 CB THR A 7 -5.998 -15.449 10.527 1.00 0.00 C ATOM 89 OG1 THR A 7 -5.501 -16.169 11.633 1.00 0.00 O ATOM 90 CG2 THR A 7 -5.171 -15.860 9.306 1.00 0.00 C ATOM 0 H THR A 7 -7.451 -14.079 12.230 1.00 0.00 H new ATOM 0 HA THR A 7 -4.918 -13.609 10.790 1.00 0.00 H new ATOM 0 HB THR A 7 -7.048 -15.685 10.352 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.736 -17.116 11.539 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.234 -16.940 9.170 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.559 -15.360 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.130 -15.574 9.458 1.00 0.00 H new ATOM 98 N ILE A 8 -6.029 -12.741 8.647 1.00 0.00 N ATOM 99 CA ILE A 8 -6.587 -12.096 7.450 1.00 0.00 C ATOM 100 C ILE A 8 -5.945 -12.696 6.188 1.00 0.00 C ATOM 101 O ILE A 8 -4.723 -12.712 6.015 1.00 0.00 O ATOM 102 CB ILE A 8 -6.399 -10.560 7.530 1.00 0.00 C ATOM 103 CG1 ILE A 8 -6.991 -10.001 8.849 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.036 -9.874 6.309 1.00 0.00 C ATOM 105 CD1 ILE A 8 -6.991 -8.475 8.974 1.00 0.00 C ATOM 0 H ILE A 8 -5.010 -12.787 8.623 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.659 -12.285 7.397 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.330 -10.345 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.017 -10.357 8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.429 -10.417 9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.894 -8.796 6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.564 -10.241 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.102 -10.099 6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.425 -8.188 9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.967 -8.105 8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.580 -8.044 8.165 1.00 0.00 H new ATOM 117 N SER A 9 -6.771 -13.166 5.258 1.00 0.00 N ATOM 118 CA SER A 9 -6.340 -13.762 3.988 1.00 0.00 C ATOM 119 C SER A 9 -5.886 -12.678 2.986 1.00 0.00 C ATOM 120 O SER A 9 -6.564 -12.398 1.996 1.00 0.00 O ATOM 121 CB SER A 9 -7.461 -14.672 3.453 1.00 0.00 C ATOM 122 OG SER A 9 -8.726 -14.022 3.438 1.00 0.00 O ATOM 0 H SER A 9 -7.785 -13.145 5.365 1.00 0.00 H new ATOM 0 HA SER A 9 -5.461 -14.387 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.211 -14.997 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.523 -15.568 4.070 1.00 0.00 H new ATOM 0 HG SER A 9 -9.405 -14.637 3.090 1.00 0.00 H new ATOM 128 N VAL A 10 -4.750 -12.025 3.271 1.00 0.00 N ATOM 129 CA VAL A 10 -4.159 -10.954 2.440 1.00 0.00 C ATOM 130 C VAL A 10 -3.518 -11.560 1.181 1.00 0.00 C ATOM 131 O VAL A 10 -2.302 -11.724 1.073 1.00 0.00 O ATOM 132 CB VAL A 10 -3.207 -10.008 3.208 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.731 -8.838 2.324 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.946 -9.376 4.398 1.00 0.00 C ATOM 0 H VAL A 10 -4.200 -12.228 4.105 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.975 -10.301 2.131 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.357 -10.611 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.064 -8.196 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.199 -9.230 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.593 -8.260 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.270 -8.711 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.802 -8.807 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.292 -10.161 5.070 1.00 0.00 H new ATOM 144 N GLU A 11 -4.387 -11.937 0.245 1.00 0.00 N ATOM 145 CA GLU A 11 -4.102 -12.806 -0.903 1.00 0.00 C ATOM 146 C GLU A 11 -3.219 -12.153 -1.985 1.00 0.00 C ATOM 147 O GLU A 11 -2.695 -12.846 -2.861 1.00 0.00 O ATOM 148 CB GLU A 11 -5.453 -13.263 -1.489 1.00 0.00 C ATOM 149 CG GLU A 11 -5.342 -14.492 -2.400 1.00 0.00 C ATOM 150 CD GLU A 11 -6.715 -14.986 -2.843 1.00 0.00 C ATOM 151 OE1 GLU A 11 -7.470 -15.508 -1.992 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.071 -14.871 -4.041 1.00 0.00 O ATOM 0 H GLU A 11 -5.360 -11.631 0.265 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.515 -13.654 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.137 -13.488 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.891 -12.440 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.744 -14.243 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.820 -15.291 -1.873 1.00 0.00 H new ATOM 159 N GLY A 12 -3.063 -10.823 -1.950 1.00 0.00 N ATOM 160 CA GLY A 12 -2.325 -10.031 -2.948 1.00 0.00 C ATOM 161 C GLY A 12 -0.876 -9.693 -2.584 1.00 0.00 C ATOM 162 O GLY A 12 -0.199 -9.050 -3.385 1.00 0.00 O ATOM 0 H GLY A 12 -3.458 -10.249 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.326 -10.577 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.865 -9.099 -3.118 1.00 0.00 H new ATOM 166 N MET A 13 -0.412 -10.065 -1.386 1.00 0.00 N ATOM 167 CA MET A 13 0.849 -9.615 -0.768 1.00 0.00 C ATOM 168 C MET A 13 1.920 -10.718 -0.754 1.00 0.00 C ATOM 169 O MET A 13 1.610 -11.877 -0.460 1.00 0.00 O ATOM 170 CB MET A 13 0.515 -9.096 0.641 1.00 0.00 C ATOM 171 CG MET A 13 1.695 -8.570 1.473 1.00 0.00 C ATOM 172 SD MET A 13 2.827 -9.791 2.201 1.00 0.00 S ATOM 173 CE MET A 13 1.662 -10.843 3.110 1.00 0.00 C ATOM 0 H MET A 13 -0.924 -10.716 -0.791 1.00 0.00 H new ATOM 0 HA MET A 13 1.289 -8.813 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.219 -8.296 0.545 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.037 -9.902 1.198 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.282 -7.905 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.290 -7.964 2.283 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.201 -11.416 3.865 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.911 -10.219 3.595 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.172 -11.527 2.417 1.00 0.00 H new ATOM 183 N THR A 14 3.176 -10.352 -1.067 1.00 0.00 N ATOM 184 CA THR A 14 4.348 -11.255 -1.053 1.00 0.00 C ATOM 185 C THR A 14 5.724 -10.574 -0.974 1.00 0.00 C ATOM 186 O THR A 14 6.695 -11.257 -0.656 1.00 0.00 O ATOM 187 CB THR A 14 4.255 -12.242 -2.215 1.00 0.00 C ATOM 188 OG1 THR A 14 5.167 -13.288 -2.012 1.00 0.00 O ATOM 189 CG2 THR A 14 4.569 -11.581 -3.541 1.00 0.00 C ATOM 0 H THR A 14 3.413 -9.399 -1.343 1.00 0.00 H new ATOM 0 HA THR A 14 4.293 -11.791 -0.106 1.00 0.00 H new ATOM 0 HB THR A 14 3.232 -12.617 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.995 -12.930 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.492 -12.317 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.860 -10.773 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.581 -11.177 -3.516 1.00 0.00 H new ATOM 197 N CYS A 15 5.840 -9.283 -1.287 1.00 0.00 N ATOM 198 CA CYS A 15 7.113 -8.657 -1.633 1.00 0.00 C ATOM 199 C CYS A 15 7.871 -7.958 -0.470 1.00 0.00 C ATOM 200 O CYS A 15 7.313 -7.643 0.588 1.00 0.00 O ATOM 201 CB CYS A 15 6.833 -7.646 -2.754 1.00 0.00 C ATOM 202 SG CYS A 15 5.727 -8.172 -4.085 1.00 0.00 S ATOM 0 H CYS A 15 5.048 -8.640 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 15 7.784 -9.461 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.413 -6.748 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.787 -7.363 -3.199 1.00 0.00 H new ATOM 0 HG CYS A 15 6.022 -7.527 -5.175 1.00 0.00 H new ATOM 207 N ASN A 16 9.129 -7.605 -0.758 1.00 0.00 N ATOM 208 CA ASN A 16 10.094 -6.980 0.154 1.00 0.00 C ATOM 209 C ASN A 16 9.611 -5.662 0.783 1.00 0.00 C ATOM 210 O ASN A 16 9.699 -5.490 1.999 1.00 0.00 O ATOM 211 CB ASN A 16 11.392 -6.745 -0.633 1.00 0.00 C ATOM 212 CG ASN A 16 12.543 -6.300 0.258 1.00 0.00 C ATOM 213 OD1 ASN A 16 13.224 -7.123 0.860 1.00 0.00 O ATOM 214 ND2 ASN A 16 12.803 -5.013 0.378 1.00 0.00 N ATOM 0 H ASN A 16 9.523 -7.756 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 16 10.241 -7.658 0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.671 -7.663 -1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.217 -5.989 -1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.571 -4.701 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.236 -4.329 -0.123 1.00 0.00 H new ATOM 221 N SER A 17 9.105 -4.723 -0.020 1.00 0.00 N ATOM 222 CA SER A 17 8.539 -3.465 0.487 1.00 0.00 C ATOM 223 C SER A 17 7.088 -3.638 0.963 1.00 0.00 C ATOM 224 O SER A 17 6.595 -2.847 1.764 1.00 0.00 O ATOM 225 CB SER A 17 8.598 -2.371 -0.587 1.00 0.00 C ATOM 226 OG SER A 17 7.694 -2.631 -1.651 1.00 0.00 O ATOM 0 H SER A 17 9.075 -4.810 -1.036 1.00 0.00 H new ATOM 0 HA SER A 17 9.145 -3.168 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.363 -1.406 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.612 -2.301 -0.980 1.00 0.00 H new ATOM 0 HG SER A 17 7.982 -2.144 -2.451 1.00 0.00 H new ATOM 232 N CYS A 18 6.369 -4.645 0.462 1.00 0.00 N ATOM 233 CA CYS A 18 4.988 -4.918 0.809 1.00 0.00 C ATOM 234 C CYS A 18 4.870 -5.458 2.261 1.00 0.00 C ATOM 235 O CYS A 18 4.042 -4.955 3.022 1.00 0.00 O ATOM 236 CB CYS A 18 4.455 -5.817 -0.320 1.00 0.00 C ATOM 237 SG CYS A 18 4.608 -4.999 -1.951 1.00 0.00 S ATOM 0 H CYS A 18 6.750 -5.307 -0.214 1.00 0.00 H new ATOM 0 HA CYS A 18 4.356 -4.031 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.006 -6.757 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.410 -6.062 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 18 4.151 -5.788 -2.877 1.00 0.00 H new ATOM 242 N VAL A 19 5.752 -6.377 2.683 1.00 0.00 N ATOM 243 CA VAL A 19 5.853 -6.790 4.103 1.00 0.00 C ATOM 244 C VAL A 19 6.286 -5.632 5.029 1.00 0.00 C ATOM 245 O VAL A 19 5.894 -5.605 6.197 1.00 0.00 O ATOM 246 CB VAL A 19 6.766 -8.021 4.340 1.00 0.00 C ATOM 247 CG1 VAL A 19 6.215 -9.267 3.629 1.00 0.00 C ATOM 248 CG2 VAL A 19 8.237 -7.795 3.957 1.00 0.00 C ATOM 0 H VAL A 19 6.409 -6.853 2.065 1.00 0.00 H new ATOM 0 HA VAL A 19 4.837 -7.087 4.364 1.00 0.00 H new ATOM 0 HB VAL A 19 6.754 -8.183 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.876 -10.114 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.220 -9.494 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.157 -9.079 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.808 -8.703 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.303 -7.546 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.645 -6.975 4.548 1.00 0.00 H new ATOM 258 N TRP A 20 7.055 -4.659 4.509 1.00 0.00 N ATOM 259 CA TRP A 20 7.419 -3.431 5.224 1.00 0.00 C ATOM 260 C TRP A 20 6.196 -2.519 5.424 1.00 0.00 C ATOM 261 O TRP A 20 5.946 -2.113 6.563 1.00 0.00 O ATOM 262 CB TRP A 20 8.576 -2.730 4.482 1.00 0.00 C ATOM 263 CG TRP A 20 9.083 -1.436 5.050 1.00 0.00 C ATOM 264 CD1 TRP A 20 10.131 -1.314 5.895 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.646 -0.067 4.772 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.360 0.018 6.176 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.508 0.834 5.470 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.623 0.516 3.988 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.380 2.228 5.386 1.00 0.00 C ATOM 270 CZ3 TRP A 20 7.466 1.915 3.919 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.348 2.769 4.601 1.00 0.00 C ATOM 0 H TRP A 20 7.444 -4.708 3.568 1.00 0.00 H new ATOM 0 HA TRP A 20 7.769 -3.682 6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.413 -3.426 4.432 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.254 -2.544 3.457 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.705 -2.138 6.292 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.071 0.354 6.825 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.951 -0.122 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.063 2.875 5.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 6.659 2.334 3.336 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.233 3.840 4.522 1.00 0.00 H new ATOM 282 N THR A 21 5.391 -2.271 4.372 1.00 0.00 N ATOM 283 CA THR A 21 4.164 -1.446 4.426 1.00 0.00 C ATOM 284 C THR A 21 3.284 -1.839 5.607 1.00 0.00 C ATOM 285 O THR A 21 2.985 -0.978 6.428 1.00 0.00 O ATOM 286 CB THR A 21 3.378 -1.506 3.103 1.00 0.00 C ATOM 287 OG1 THR A 21 4.184 -1.013 2.056 1.00 0.00 O ATOM 288 CG2 THR A 21 2.091 -0.669 3.133 1.00 0.00 C ATOM 0 H THR A 21 5.578 -2.645 3.442 1.00 0.00 H new ATOM 0 HA THR A 21 4.477 -0.412 4.572 1.00 0.00 H new ATOM 0 HB THR A 21 3.105 -2.550 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.236 -0.036 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.581 -0.751 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.437 -1.036 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.340 0.375 3.323 1.00 0.00 H new ATOM 296 N ILE A 22 2.950 -3.126 5.759 1.00 0.00 N ATOM 297 CA ILE A 22 2.042 -3.587 6.833 1.00 0.00 C ATOM 298 C ILE A 22 2.589 -3.244 8.230 1.00 0.00 C ATOM 299 O ILE A 22 1.861 -2.710 9.063 1.00 0.00 O ATOM 300 CB ILE A 22 1.750 -5.107 6.732 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.399 -5.610 5.311 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.629 -5.490 7.722 1.00 0.00 C ATOM 303 CD1 ILE A 22 0.183 -4.952 4.649 1.00 0.00 C ATOM 0 H ILE A 22 3.292 -3.873 5.154 1.00 0.00 H new ATOM 0 HA ILE A 22 1.103 -3.051 6.692 1.00 0.00 H new ATOM 0 HB ILE A 22 2.685 -5.604 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.266 -5.457 4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.224 -6.685 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.427 -6.559 7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.943 -5.250 8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.276 -4.932 7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.031 -5.381 3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.703 -5.127 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.355 -3.880 4.557 1.00 0.00 H new ATOM 315 N GLU A 23 3.871 -3.514 8.488 1.00 0.00 N ATOM 316 CA GLU A 23 4.497 -3.284 9.797 1.00 0.00 C ATOM 317 C GLU A 23 4.581 -1.784 10.142 1.00 0.00 C ATOM 318 O GLU A 23 4.408 -1.400 11.301 1.00 0.00 O ATOM 319 CB GLU A 23 5.887 -3.943 9.797 1.00 0.00 C ATOM 320 CG GLU A 23 6.500 -4.022 11.203 1.00 0.00 C ATOM 321 CD GLU A 23 7.772 -4.870 11.224 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.794 -4.461 10.623 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.761 -5.967 11.831 1.00 0.00 O ATOM 0 H GLU A 23 4.509 -3.900 7.792 1.00 0.00 H new ATOM 0 HA GLU A 23 3.878 -3.735 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.809 -4.947 9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.553 -3.378 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.728 -3.016 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.770 -4.445 11.894 1.00 0.00 H new ATOM 330 N GLN A 24 4.833 -0.932 9.142 1.00 0.00 N ATOM 331 CA GLN A 24 4.828 0.529 9.288 1.00 0.00 C ATOM 332 C GLN A 24 3.418 1.138 9.432 1.00 0.00 C ATOM 333 O GLN A 24 3.264 2.168 10.094 1.00 0.00 O ATOM 334 CB GLN A 24 5.594 1.172 8.117 1.00 0.00 C ATOM 335 CG GLN A 24 7.071 0.742 8.005 1.00 0.00 C ATOM 336 CD GLN A 24 7.868 0.909 9.294 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.753 1.912 9.989 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.666 -0.051 9.703 1.00 0.00 N ATOM 0 H GLN A 24 5.049 -1.242 8.195 1.00 0.00 H new ATOM 0 HA GLN A 24 5.334 0.753 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.085 0.923 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.552 2.256 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.112 -0.303 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.549 1.324 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.778 -0.895 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.174 0.048 10.582 1.00 0.00 H new ATOM 347 N GLN A 25 2.387 0.520 8.844 1.00 0.00 N ATOM 348 CA GLN A 25 0.989 0.901 9.063 1.00 0.00 C ATOM 349 C GLN A 25 0.524 0.525 10.473 1.00 0.00 C ATOM 350 O GLN A 25 0.028 1.372 11.217 1.00 0.00 O ATOM 351 CB GLN A 25 0.073 0.192 8.050 1.00 0.00 C ATOM 352 CG GLN A 25 0.141 0.734 6.622 1.00 0.00 C ATOM 353 CD GLN A 25 -0.776 -0.071 5.713 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.586 -1.257 5.487 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.820 0.542 5.205 1.00 0.00 N ATOM 0 H GLN A 25 2.501 -0.262 8.200 1.00 0.00 H new ATOM 0 HA GLN A 25 0.927 1.982 8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.329 -0.867 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.956 0.266 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.151 1.784 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.166 0.684 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.974 1.532 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.478 0.028 4.618 1.00 0.00 H new ATOM 364 N ILE A 26 0.636 -0.759 10.821 1.00 0.00 N ATOM 365 CA ILE A 26 0.007 -1.333 12.018 1.00 0.00 C ATOM 366 C ILE A 26 0.693 -0.832 13.294 1.00 0.00 C ATOM 367 O ILE A 26 0.002 -0.357 14.197 1.00 0.00 O ATOM 368 CB ILE A 26 -0.062 -2.877 11.855 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.354 -3.333 11.132 1.00 0.00 C ATOM 370 CG2 ILE A 26 0.001 -3.646 13.180 1.00 0.00 C ATOM 371 CD1 ILE A 26 -1.618 -2.714 9.753 1.00 0.00 C ATOM 0 H ILE A 26 1.170 -1.437 10.277 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.022 -0.991 12.126 1.00 0.00 H new ATOM 0 HB ILE A 26 0.822 -3.110 11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.318 -4.417 11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.204 -3.108 11.776 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.053 -4.717 12.982 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.937 -3.418 13.689 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.837 -3.351 13.812 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.549 -3.110 9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.696 -1.631 9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.796 -2.960 9.080 1.00 0.00 H new ATOM 383 N GLY A 27 2.032 -0.837 13.349 1.00 0.00 N ATOM 384 CA GLY A 27 2.827 -0.510 14.550 1.00 0.00 C ATOM 385 C GLY A 27 2.698 0.923 15.089 1.00 0.00 C ATOM 386 O GLY A 27 3.327 1.257 16.094 1.00 0.00 O ATOM 0 H GLY A 27 2.610 -1.074 12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.544 -1.200 15.345 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.877 -0.697 14.325 1.00 0.00 H new ATOM 390 N LYS A 28 1.873 1.769 14.462 1.00 0.00 N ATOM 391 CA LYS A 28 1.484 3.098 14.957 1.00 0.00 C ATOM 392 C LYS A 28 0.022 3.178 15.441 1.00 0.00 C ATOM 393 O LYS A 28 -0.391 4.219 15.964 1.00 0.00 O ATOM 394 CB LYS A 28 1.813 4.113 13.841 1.00 0.00 C ATOM 395 CG LYS A 28 2.058 5.557 14.311 1.00 0.00 C ATOM 396 CD LYS A 28 3.279 5.746 15.223 1.00 0.00 C ATOM 397 CE LYS A 28 4.633 5.452 14.558 1.00 0.00 C ATOM 398 NZ LYS A 28 4.970 6.423 13.488 1.00 0.00 N ATOM 0 H LYS A 28 1.442 1.541 13.566 1.00 0.00 H new ATOM 0 HA LYS A 28 2.052 3.333 15.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.699 3.767 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.992 4.117 13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.177 6.193 13.434 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.171 5.906 14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.286 6.773 15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.169 5.098 16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.416 5.467 15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.616 4.446 14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.892 6.178 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.239 6.392 12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.015 7.381 13.890 1.00 0.00 H new ATOM 412 N VAL A 29 -0.759 2.100 15.324 1.00 0.00 N ATOM 413 CA VAL A 29 -2.091 1.986 15.936 1.00 0.00 C ATOM 414 C VAL A 29 -1.922 1.463 17.363 1.00 0.00 C ATOM 415 O VAL A 29 -1.671 0.279 17.582 1.00 0.00 O ATOM 416 CB VAL A 29 -3.033 1.062 15.139 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.429 0.998 15.781 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.168 1.499 13.669 1.00 0.00 C ATOM 0 H VAL A 29 -0.483 1.272 14.796 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.554 2.973 15.936 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.580 0.071 15.163 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.069 0.338 15.195 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.345 0.613 16.797 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.864 1.997 15.806 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.841 0.819 13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.570 2.511 13.626 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.188 1.477 13.191 1.00 0.00 H new ATOM 428 N ASN A 30 -2.068 2.376 18.321 1.00 0.00 N ATOM 429 CA ASN A 30 -1.881 2.193 19.771 1.00 0.00 C ATOM 430 C ASN A 30 -2.195 0.778 20.313 1.00 0.00 C ATOM 431 O ASN A 30 -1.371 0.190 21.016 1.00 0.00 O ATOM 432 CB ASN A 30 -2.744 3.238 20.500 1.00 0.00 C ATOM 433 CG ASN A 30 -2.519 3.200 22.007 1.00 0.00 C ATOM 434 OD1 ASN A 30 -3.136 2.426 22.727 1.00 0.00 O ATOM 435 ND2 ASN A 30 -1.608 4.003 22.518 1.00 0.00 N ATOM 0 H ASN A 30 -2.339 3.333 18.095 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.816 2.326 19.962 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.509 4.233 20.122 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.797 3.056 20.284 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.413 3.982 23.519 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.097 4.646 21.913 1.00 0.00 H new ATOM 442 N GLY A 31 -3.360 0.212 19.959 1.00 0.00 N ATOM 443 CA GLY A 31 -3.871 -1.036 20.536 1.00 0.00 C ATOM 444 C GLY A 31 -3.287 -2.331 19.966 1.00 0.00 C ATOM 445 O GLY A 31 -3.618 -3.392 20.483 1.00 0.00 O ATOM 0 H GLY A 31 -3.979 0.615 19.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.684 -1.019 21.610 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.952 -1.059 20.401 1.00 0.00 H new ATOM 449 N VAL A 32 -2.463 -2.300 18.916 1.00 0.00 N ATOM 450 CA VAL A 32 -1.852 -3.526 18.348 1.00 0.00 C ATOM 451 C VAL A 32 -0.676 -4.030 19.209 1.00 0.00 C ATOM 452 O VAL A 32 0.125 -3.239 19.706 1.00 0.00 O ATOM 453 CB VAL A 32 -1.462 -3.369 16.863 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.652 -2.771 16.080 1.00 0.00 C ATOM 455 CG2 VAL A 32 -0.147 -2.590 16.688 1.00 0.00 C ATOM 0 H VAL A 32 -2.197 -1.442 18.434 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.624 -4.296 18.375 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.253 -4.351 16.439 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.378 -2.659 15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.512 -3.436 16.162 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.907 -1.795 16.494 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.087 -2.505 15.627 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.254 -1.594 17.117 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.660 -3.119 17.196 1.00 0.00 H new ATOM 465 N HIS A 33 -0.554 -5.351 19.374 1.00 0.00 N ATOM 466 CA HIS A 33 0.476 -5.990 20.210 1.00 0.00 C ATOM 467 C HIS A 33 1.487 -6.860 19.431 1.00 0.00 C ATOM 468 O HIS A 33 2.626 -6.961 19.874 1.00 0.00 O ATOM 469 CB HIS A 33 -0.206 -6.828 21.307 1.00 0.00 C ATOM 470 CG HIS A 33 -0.576 -6.053 22.551 1.00 0.00 C ATOM 471 ND1 HIS A 33 0.306 -5.483 23.445 1.00 0.00 N ATOM 472 CD2 HIS A 33 -1.831 -5.902 23.082 1.00 0.00 C ATOM 473 CE1 HIS A 33 -0.401 -5.013 24.485 1.00 0.00 C ATOM 474 NE2 HIS A 33 -1.716 -5.241 24.312 1.00 0.00 N ATOM 0 H HIS A 33 -1.178 -6.021 18.924 1.00 0.00 H new ATOM 0 HA HIS A 33 1.063 -5.180 20.643 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.108 -7.279 20.894 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.459 -7.645 21.588 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.753 -6.236 22.629 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.028 -4.519 25.344 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.473 -4.985 24.946 1.00 0.00 H new ATOM 482 N HIS A 34 1.139 -7.488 18.302 1.00 0.00 N ATOM 483 CA HIS A 34 2.106 -8.249 17.484 1.00 0.00 C ATOM 484 C HIS A 34 1.620 -8.373 16.031 1.00 0.00 C ATOM 485 O HIS A 34 0.476 -8.779 15.824 1.00 0.00 O ATOM 486 CB HIS A 34 2.330 -9.642 18.111 1.00 0.00 C ATOM 487 CG HIS A 34 3.398 -10.486 17.451 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.749 -10.224 17.432 1.00 0.00 N ATOM 489 CD2 HIS A 34 3.226 -11.709 16.856 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.369 -11.257 16.841 1.00 0.00 C ATOM 491 NE2 HIS A 34 4.484 -12.204 16.478 1.00 0.00 N ATOM 0 H HIS A 34 0.190 -7.487 17.928 1.00 0.00 H new ATOM 0 HA HIS A 34 3.054 -7.712 17.467 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.591 -9.511 19.161 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.388 -10.190 18.083 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.281 -12.208 16.704 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.435 -11.320 16.678 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.685 -13.095 16.023 1.00 0.00 H new ATOM 499 N ILE A 35 2.457 -8.054 15.034 1.00 0.00 N ATOM 500 CA ILE A 35 2.153 -8.172 13.596 1.00 0.00 C ATOM 501 C ILE A 35 3.073 -9.188 12.906 1.00 0.00 C ATOM 502 O ILE A 35 4.303 -9.099 12.969 1.00 0.00 O ATOM 503 CB ILE A 35 2.169 -6.777 12.913 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.747 -6.832 11.424 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.459 -5.963 13.132 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.857 -7.057 10.384 1.00 0.00 C ATOM 0 H ILE A 35 3.395 -7.695 15.209 1.00 0.00 H new ATOM 0 HA ILE A 35 1.141 -8.564 13.490 1.00 0.00 H new ATOM 0 HB ILE A 35 1.399 -6.214 13.440 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.012 -7.629 11.311 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.242 -5.897 11.182 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.377 -5.005 12.618 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.604 -5.791 14.199 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.310 -6.516 12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.422 -7.074 9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.586 -6.249 10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.352 -8.008 10.580 1.00 0.00 H new ATOM 518 N LYS A 36 2.454 -10.136 12.202 1.00 0.00 N ATOM 519 CA LYS A 36 3.102 -11.214 11.448 1.00 0.00 C ATOM 520 C LYS A 36 2.548 -11.260 10.011 1.00 0.00 C ATOM 521 O LYS A 36 1.333 -11.209 9.819 1.00 0.00 O ATOM 522 CB LYS A 36 2.842 -12.526 12.213 1.00 0.00 C ATOM 523 CG LYS A 36 3.429 -13.797 11.571 1.00 0.00 C ATOM 524 CD LYS A 36 3.075 -15.016 12.442 1.00 0.00 C ATOM 525 CE LYS A 36 3.706 -16.313 11.918 1.00 0.00 C ATOM 526 NZ LYS A 36 3.428 -17.457 12.824 1.00 0.00 N ATOM 0 H LYS A 36 1.437 -10.177 12.138 1.00 0.00 H new ATOM 0 HA LYS A 36 4.176 -11.052 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.250 -12.426 13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.765 -12.657 12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.031 -13.927 10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.511 -13.705 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.411 -14.839 13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.992 -15.131 12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.318 -16.532 10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.783 -16.180 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.868 -18.318 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.820 -17.257 13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.400 -17.598 12.900 1.00 0.00 H new ATOM 540 N VAL A 37 3.409 -11.373 8.999 1.00 0.00 N ATOM 541 CA VAL A 37 2.997 -11.463 7.584 1.00 0.00 C ATOM 542 C VAL A 37 3.754 -12.569 6.851 1.00 0.00 C ATOM 543 O VAL A 37 4.978 -12.688 6.923 1.00 0.00 O ATOM 544 CB VAL A 37 3.068 -10.109 6.831 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.883 -9.223 7.241 1.00 0.00 C ATOM 546 CG2 VAL A 37 4.374 -9.323 7.035 1.00 0.00 C ATOM 0 H VAL A 37 4.420 -11.406 9.131 1.00 0.00 H new ATOM 0 HA VAL A 37 1.941 -11.733 7.593 1.00 0.00 H new ATOM 0 HB VAL A 37 3.030 -10.366 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.938 -8.273 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.949 -9.726 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.920 -9.040 8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.330 -8.392 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.502 -9.099 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.216 -9.920 6.686 1.00 0.00 H new ATOM 556 N SER A 38 2.977 -13.412 6.178 1.00 0.00 N ATOM 557 CA SER A 38 3.406 -14.661 5.549 1.00 0.00 C ATOM 558 C SER A 38 3.353 -14.542 4.018 1.00 0.00 C ATOM 559 O SER A 38 2.276 -14.622 3.422 1.00 0.00 O ATOM 560 CB SER A 38 2.485 -15.802 6.010 1.00 0.00 C ATOM 561 OG SER A 38 2.451 -15.950 7.420 1.00 0.00 O ATOM 0 H SER A 38 1.981 -13.236 6.049 1.00 0.00 H new ATOM 0 HA SER A 38 4.434 -14.871 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.475 -15.616 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.820 -16.737 5.560 1.00 0.00 H new ATOM 0 HG SER A 38 1.850 -16.687 7.657 1.00 0.00 H new ATOM 567 N LEU A 39 4.509 -14.365 3.367 1.00 0.00 N ATOM 568 CA LEU A 39 4.616 -14.232 1.907 1.00 0.00 C ATOM 569 C LEU A 39 4.454 -15.554 1.135 1.00 0.00 C ATOM 570 O LEU A 39 3.971 -15.546 0.005 1.00 0.00 O ATOM 571 CB LEU A 39 5.947 -13.541 1.552 1.00 0.00 C ATOM 572 CG LEU A 39 7.234 -14.228 2.072 1.00 0.00 C ATOM 573 CD1 LEU A 39 8.229 -14.476 0.930 1.00 0.00 C ATOM 574 CD2 LEU A 39 7.892 -13.376 3.168 1.00 0.00 C ATOM 0 H LEU A 39 5.409 -14.309 3.845 1.00 0.00 H new ATOM 0 HA LEU A 39 3.775 -13.617 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.014 -13.464 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.920 -12.524 1.943 1.00 0.00 H new ATOM 0 HG LEU A 39 6.951 -15.192 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.123 -14.959 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.769 -15.120 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.503 -13.525 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.795 -13.873 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.152 -12.398 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.197 -13.251 3.998 1.00 0.00 H new ATOM 586 N GLU A 40 4.824 -16.689 1.732 1.00 0.00 N ATOM 587 CA GLU A 40 4.730 -18.018 1.112 1.00 0.00 C ATOM 588 C GLU A 40 3.327 -18.627 1.301 1.00 0.00 C ATOM 589 O GLU A 40 2.859 -19.396 0.457 1.00 0.00 O ATOM 590 CB GLU A 40 5.834 -18.908 1.716 1.00 0.00 C ATOM 591 CG GLU A 40 6.067 -20.215 0.946 1.00 0.00 C ATOM 592 CD GLU A 40 7.383 -20.885 1.352 1.00 0.00 C ATOM 593 OE1 GLU A 40 8.467 -20.288 1.125 1.00 0.00 O ATOM 594 OE2 GLU A 40 7.369 -22.037 1.846 1.00 0.00 O ATOM 0 H GLU A 40 5.205 -16.714 2.678 1.00 0.00 H new ATOM 0 HA GLU A 40 4.880 -17.940 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.766 -18.344 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.572 -19.146 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.238 -20.899 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.078 -20.010 -0.124 1.00 0.00 H new ATOM 601 N GLU A 41 2.638 -18.238 2.378 1.00 0.00 N ATOM 602 CA GLU A 41 1.272 -18.657 2.720 1.00 0.00 C ATOM 603 C GLU A 41 0.218 -17.550 2.475 1.00 0.00 C ATOM 604 O GLU A 41 -0.951 -17.711 2.830 1.00 0.00 O ATOM 605 CB GLU A 41 1.244 -19.178 4.167 1.00 0.00 C ATOM 606 CG GLU A 41 2.205 -20.355 4.395 1.00 0.00 C ATOM 607 CD GLU A 41 2.086 -20.886 5.819 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.586 -20.228 6.761 1.00 0.00 O ATOM 609 OE2 GLU A 41 1.464 -21.953 6.017 1.00 0.00 O ATOM 0 H GLU A 41 3.032 -17.596 3.065 1.00 0.00 H new ATOM 0 HA GLU A 41 0.990 -19.467 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.504 -18.366 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.230 -19.489 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.984 -21.153 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.230 -20.035 4.206 1.00 0.00 H new ATOM 616 N LYS A 42 0.617 -16.424 1.867 1.00 0.00 N ATOM 617 CA LYS A 42 -0.246 -15.354 1.331 1.00 0.00 C ATOM 618 C LYS A 42 -1.270 -14.805 2.348 1.00 0.00 C ATOM 619 O LYS A 42 -2.454 -14.658 2.037 1.00 0.00 O ATOM 620 CB LYS A 42 -0.916 -15.821 0.017 1.00 0.00 C ATOM 621 CG LYS A 42 0.036 -16.434 -1.031 1.00 0.00 C ATOM 622 CD LYS A 42 1.067 -15.440 -1.582 1.00 0.00 C ATOM 623 CE LYS A 42 2.121 -16.194 -2.404 1.00 0.00 C ATOM 624 NZ LYS A 42 3.171 -15.280 -2.905 1.00 0.00 N ATOM 0 H LYS A 42 1.607 -16.221 1.726 1.00 0.00 H new ATOM 0 HA LYS A 42 0.401 -14.504 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.682 -16.557 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.425 -14.969 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.561 -17.278 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.554 -16.829 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.572 -14.694 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.545 -14.905 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.576 -16.971 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.640 -16.693 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.830 -15.808 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.731 -14.514 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.691 -14.874 -2.101 1.00 0.00 H new ATOM 638 N ASN A 43 -0.850 -14.553 3.590 1.00 0.00 N ATOM 639 CA ASN A 43 -1.749 -14.155 4.675 1.00 0.00 C ATOM 640 C ASN A 43 -1.059 -13.279 5.734 1.00 0.00 C ATOM 641 O ASN A 43 0.161 -13.113 5.738 1.00 0.00 O ATOM 642 CB ASN A 43 -2.432 -15.394 5.293 1.00 0.00 C ATOM 643 CG ASN A 43 -1.506 -16.166 6.224 1.00 0.00 C ATOM 644 OD1 ASN A 43 -1.314 -15.793 7.371 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.872 -17.218 5.754 1.00 0.00 N ATOM 0 H ASN A 43 0.128 -14.620 3.872 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.524 -13.524 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.317 -15.079 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.772 -16.054 4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.217 -17.726 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.036 -17.526 4.795 1.00 0.00 H new ATOM 652 N ALA A 44 -1.870 -12.716 6.626 1.00 0.00 N ATOM 653 CA ALA A 44 -1.470 -11.789 7.676 1.00 0.00 C ATOM 654 C ALA A 44 -2.095 -12.228 9.015 1.00 0.00 C ATOM 655 O ALA A 44 -3.300 -12.477 9.063 1.00 0.00 O ATOM 656 CB ALA A 44 -1.960 -10.405 7.215 1.00 0.00 C ATOM 0 H ALA A 44 -2.872 -12.904 6.635 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.393 -11.765 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.692 -9.657 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.493 -10.152 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.043 -10.424 7.094 1.00 0.00 H new ATOM 662 N THR A 45 -1.305 -12.311 10.093 1.00 0.00 N ATOM 663 CA THR A 45 -1.773 -12.638 11.454 1.00 0.00 C ATOM 664 C THR A 45 -1.412 -11.485 12.383 1.00 0.00 C ATOM 665 O THR A 45 -0.340 -10.895 12.269 1.00 0.00 O ATOM 666 CB THR A 45 -1.181 -13.961 11.968 1.00 0.00 C ATOM 667 OG1 THR A 45 -1.351 -14.985 11.015 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.872 -14.438 13.248 1.00 0.00 C ATOM 0 H THR A 45 -0.299 -12.150 10.046 1.00 0.00 H new ATOM 0 HA THR A 45 -2.854 -12.774 11.429 1.00 0.00 H new ATOM 0 HB THR A 45 -0.126 -13.765 12.160 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.967 -15.819 11.358 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.423 -15.375 13.576 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.753 -13.686 14.028 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.933 -14.593 13.053 1.00 0.00 H new ATOM 676 N ILE A 46 -2.294 -11.144 13.318 1.00 0.00 N ATOM 677 CA ILE A 46 -2.110 -9.994 14.211 1.00 0.00 C ATOM 678 C ILE A 46 -2.785 -10.210 15.568 1.00 0.00 C ATOM 679 O ILE A 46 -3.911 -10.709 15.649 1.00 0.00 O ATOM 680 CB ILE A 46 -2.539 -8.685 13.499 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.227 -7.437 14.357 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.020 -8.707 13.069 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.550 -6.103 13.679 1.00 0.00 C ATOM 0 H ILE A 46 -3.161 -11.656 13.482 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.049 -9.893 14.439 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.943 -8.621 12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.790 -7.502 15.288 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.170 -7.449 14.622 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.270 -7.768 12.575 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.186 -9.535 12.380 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.652 -8.834 13.948 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.300 -5.283 14.352 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.968 -6.010 12.762 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.613 -6.065 13.439 1.00 0.00 H new ATOM 695 N ILE A 47 -2.088 -9.806 16.631 1.00 0.00 N ATOM 696 CA ILE A 47 -2.626 -9.690 17.994 1.00 0.00 C ATOM 697 C ILE A 47 -2.873 -8.216 18.316 1.00 0.00 C ATOM 698 O ILE A 47 -1.979 -7.386 18.131 1.00 0.00 O ATOM 699 CB ILE A 47 -1.677 -10.316 19.045 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.347 -11.792 18.717 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.314 -10.212 20.445 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.482 -12.493 19.774 1.00 0.00 C ATOM 0 H ILE A 47 -1.105 -9.542 16.569 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.565 -10.242 18.037 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.740 -9.760 19.025 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.280 -12.344 18.602 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.832 -11.833 17.757 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.644 -10.653 21.183 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.484 -9.164 20.690 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.265 -10.745 20.453 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.297 -13.523 19.468 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.468 -11.968 19.874 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.002 -12.487 20.732 1.00 0.00 H new ATOM 714 N TYR A 48 -4.045 -7.908 18.869 1.00 0.00 N ATOM 715 CA TYR A 48 -4.422 -6.581 19.361 1.00 0.00 C ATOM 716 C TYR A 48 -5.226 -6.627 20.677 1.00 0.00 C ATOM 717 O TYR A 48 -5.836 -7.638 21.030 1.00 0.00 O ATOM 718 CB TYR A 48 -5.179 -5.829 18.254 1.00 0.00 C ATOM 719 CG TYR A 48 -6.480 -6.465 17.786 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.687 -6.186 18.458 1.00 0.00 C ATOM 721 CD2 TYR A 48 -6.496 -7.294 16.645 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.905 -6.702 17.983 1.00 0.00 C ATOM 723 CE2 TYR A 48 -7.711 -7.828 16.170 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.922 -7.520 16.833 1.00 0.00 C ATOM 725 OH TYR A 48 -10.101 -8.019 16.374 1.00 0.00 O ATOM 0 H TYR A 48 -4.785 -8.599 18.992 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.508 -6.041 19.606 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.397 -4.822 18.610 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.517 -5.727 17.394 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.676 -5.571 19.345 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.573 -7.521 16.133 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.827 -6.473 18.497 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.717 -8.471 15.302 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.182 -7.837 15.414 1.00 0.00 H new ATOM 735 N ASP A 49 -5.232 -5.506 21.399 1.00 0.00 N ATOM 736 CA ASP A 49 -6.052 -5.252 22.584 1.00 0.00 C ATOM 737 C ASP A 49 -7.513 -4.996 22.149 1.00 0.00 C ATOM 738 O ASP A 49 -7.759 -4.016 21.433 1.00 0.00 O ATOM 739 CB ASP A 49 -5.461 -4.038 23.326 1.00 0.00 C ATOM 740 CG ASP A 49 -6.036 -3.808 24.727 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.200 -4.187 24.993 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.284 -3.268 25.576 1.00 0.00 O ATOM 0 H ASP A 49 -4.637 -4.712 21.162 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.051 -6.111 23.255 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.382 -4.168 23.407 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.631 -3.144 22.726 1.00 0.00 H new ATOM 747 N PRO A 50 -8.485 -5.847 22.542 1.00 0.00 N ATOM 748 CA PRO A 50 -9.852 -5.773 22.030 1.00 0.00 C ATOM 749 C PRO A 50 -10.610 -4.520 22.486 1.00 0.00 C ATOM 750 O PRO A 50 -11.623 -4.192 21.872 1.00 0.00 O ATOM 751 CB PRO A 50 -10.538 -7.061 22.498 1.00 0.00 C ATOM 752 CG PRO A 50 -9.770 -7.432 23.763 1.00 0.00 C ATOM 753 CD PRO A 50 -8.346 -6.996 23.427 1.00 0.00 C ATOM 0 HA PRO A 50 -9.845 -5.688 20.943 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.596 -6.901 22.703 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.475 -7.846 21.745 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.157 -6.912 24.639 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.828 -8.500 23.974 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.794 -6.731 24.329 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.794 -7.801 22.941 1.00 0.00 H new ATOM 761 N LYS A 51 -10.138 -3.798 23.512 1.00 0.00 N ATOM 762 CA LYS A 51 -10.737 -2.528 23.941 1.00 0.00 C ATOM 763 C LYS A 51 -10.564 -1.432 22.864 1.00 0.00 C ATOM 764 O LYS A 51 -11.539 -1.012 22.234 1.00 0.00 O ATOM 765 CB LYS A 51 -10.117 -2.105 25.289 1.00 0.00 C ATOM 766 CG LYS A 51 -10.319 -3.121 26.429 1.00 0.00 C ATOM 767 CD LYS A 51 -9.675 -2.672 27.753 1.00 0.00 C ATOM 768 CE LYS A 51 -8.176 -2.382 27.581 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.462 -2.253 28.871 1.00 0.00 N ATOM 0 H LYS A 51 -9.330 -4.079 24.067 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.810 -2.665 24.075 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.048 -1.943 25.149 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.548 -1.150 25.589 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.386 -3.277 26.585 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.896 -4.081 26.132 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.180 -1.778 28.119 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.812 -3.447 28.507 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.721 -3.183 26.998 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.052 -1.462 27.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.456 -2.058 28.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.874 -1.472 29.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.553 -3.139 29.408 1.00 0.00 H new ATOM 783 N LEU A 52 -9.318 -0.993 22.628 1.00 0.00 N ATOM 784 CA LEU A 52 -8.952 0.202 21.846 1.00 0.00 C ATOM 785 C LEU A 52 -8.859 -0.025 20.322 1.00 0.00 C ATOM 786 O LEU A 52 -8.610 0.933 19.585 1.00 0.00 O ATOM 787 CB LEU A 52 -7.590 0.719 22.375 1.00 0.00 C ATOM 788 CG LEU A 52 -7.640 1.629 23.621 1.00 0.00 C ATOM 789 CD1 LEU A 52 -8.118 0.917 24.890 1.00 0.00 C ATOM 790 CD2 LEU A 52 -6.229 2.169 23.886 1.00 0.00 C ATOM 0 H LEU A 52 -8.500 -1.482 22.993 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.755 0.927 21.980 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.963 -0.143 22.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.096 1.266 21.572 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.359 2.418 23.403 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.126 1.622 25.722 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.125 0.530 24.733 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.444 0.092 25.120 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.246 2.815 24.764 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.548 1.336 24.061 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.890 2.740 23.022 1.00 0.00 H new ATOM 802 N GLN A 53 -8.979 -1.265 19.841 1.00 0.00 N ATOM 803 CA GLN A 53 -8.624 -1.657 18.471 1.00 0.00 C ATOM 804 C GLN A 53 -9.745 -2.498 17.822 1.00 0.00 C ATOM 805 O GLN A 53 -10.552 -3.091 18.542 1.00 0.00 O ATOM 806 CB GLN A 53 -7.283 -2.427 18.554 1.00 0.00 C ATOM 807 CG GLN A 53 -6.234 -1.979 17.531 1.00 0.00 C ATOM 808 CD GLN A 53 -6.726 -2.198 16.113 1.00 0.00 C ATOM 809 OE1 GLN A 53 -7.249 -1.292 15.485 1.00 0.00 O ATOM 810 NE2 GLN A 53 -6.708 -3.413 15.613 1.00 0.00 N ATOM 0 H GLN A 53 -9.332 -2.040 20.402 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.509 -0.782 17.831 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.870 -2.308 19.556 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.479 -3.490 18.414 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.003 -0.924 17.680 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.309 -2.533 17.688 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.272 -4.173 16.135 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.130 -3.596 14.703 1.00 0.00 H new ATOM 819 N THR A 54 -9.805 -2.558 16.478 1.00 0.00 N ATOM 820 CA THR A 54 -10.840 -3.282 15.706 1.00 0.00 C ATOM 821 C THR A 54 -10.266 -4.056 14.506 1.00 0.00 C ATOM 822 O THR A 54 -9.192 -3.701 14.009 1.00 0.00 O ATOM 823 CB THR A 54 -11.937 -2.329 15.194 1.00 0.00 C ATOM 824 OG1 THR A 54 -11.375 -1.233 14.514 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.836 -1.818 16.313 1.00 0.00 C ATOM 0 H THR A 54 -9.120 -2.094 15.882 1.00 0.00 H new ATOM 0 HA THR A 54 -11.267 -3.999 16.407 1.00 0.00 H new ATOM 0 HB THR A 54 -12.551 -2.912 14.508 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.090 -0.643 14.197 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.591 -1.151 15.897 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.326 -2.661 16.800 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.235 -1.276 17.043 1.00 0.00 H new ATOM 833 N PRO A 55 -10.991 -5.073 13.987 1.00 0.00 N ATOM 834 CA PRO A 55 -10.667 -5.734 12.721 1.00 0.00 C ATOM 835 C PRO A 55 -10.937 -4.824 11.512 1.00 0.00 C ATOM 836 O PRO A 55 -10.274 -4.961 10.485 1.00 0.00 O ATOM 837 CB PRO A 55 -11.547 -6.988 12.687 1.00 0.00 C ATOM 838 CG PRO A 55 -12.789 -6.562 13.468 1.00 0.00 C ATOM 839 CD PRO A 55 -12.208 -5.652 14.549 1.00 0.00 C ATOM 0 HA PRO A 55 -9.607 -5.980 12.660 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.793 -7.280 11.666 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.052 -7.841 13.151 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.504 -6.035 12.836 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.312 -7.417 13.896 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.918 -4.872 14.824 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.988 -6.216 15.455 1.00 0.00 H new ATOM 847 N LYS A 56 -11.862 -3.859 11.627 1.00 0.00 N ATOM 848 CA LYS A 56 -12.139 -2.887 10.565 1.00 0.00 C ATOM 849 C LYS A 56 -10.882 -2.069 10.216 1.00 0.00 C ATOM 850 O LYS A 56 -10.511 -2.020 9.044 1.00 0.00 O ATOM 851 CB LYS A 56 -13.343 -2.023 10.975 1.00 0.00 C ATOM 852 CG LYS A 56 -13.730 -1.029 9.869 1.00 0.00 C ATOM 853 CD LYS A 56 -14.996 -0.240 10.226 1.00 0.00 C ATOM 854 CE LYS A 56 -15.261 0.913 9.245 1.00 0.00 C ATOM 855 NZ LYS A 56 -14.366 2.074 9.486 1.00 0.00 N ATOM 0 H LYS A 56 -12.437 -3.733 12.460 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.407 -3.405 9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.193 -2.667 11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.106 -1.477 11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.906 -0.336 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.890 -1.569 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.852 -0.914 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.900 0.160 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.124 0.557 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.299 1.232 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.473 2.761 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.618 2.525 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.379 1.749 9.526 1.00 0.00 H new ATOM 869 N THR A 57 -10.161 -1.534 11.215 1.00 0.00 N ATOM 870 CA THR A 57 -8.873 -0.823 11.046 1.00 0.00 C ATOM 871 C THR A 57 -7.872 -1.618 10.211 1.00 0.00 C ATOM 872 O THR A 57 -7.213 -1.038 9.351 1.00 0.00 O ATOM 873 CB THR A 57 -8.307 -0.473 12.430 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.201 0.470 12.973 1.00 0.00 O ATOM 875 CG2 THR A 57 -6.903 0.141 12.412 1.00 0.00 C ATOM 0 H THR A 57 -10.461 -1.583 12.189 1.00 0.00 H new ATOM 0 HA THR A 57 -9.057 0.096 10.489 1.00 0.00 H new ATOM 0 HB THR A 57 -8.212 -1.393 13.006 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.908 0.004 13.467 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.586 0.355 13.433 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.205 -0.560 11.955 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.918 1.066 11.835 1.00 0.00 H new ATOM 883 N LEU A 58 -7.796 -2.938 10.417 1.00 0.00 N ATOM 884 CA LEU A 58 -6.887 -3.836 9.702 1.00 0.00 C ATOM 885 C LEU A 58 -7.319 -4.017 8.237 1.00 0.00 C ATOM 886 O LEU A 58 -6.501 -3.842 7.342 1.00 0.00 O ATOM 887 CB LEU A 58 -6.825 -5.176 10.466 1.00 0.00 C ATOM 888 CG LEU A 58 -5.935 -5.253 11.732 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.681 -3.934 12.475 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.550 -6.255 12.725 1.00 0.00 C ATOM 0 H LEU A 58 -8.379 -3.421 11.101 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.887 -3.404 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.841 -5.442 10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.482 -5.941 9.770 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.960 -5.564 11.356 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.046 -4.121 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.186 -3.230 11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.631 -3.514 12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.927 -6.312 13.617 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.551 -5.925 13.002 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.609 -7.239 12.260 1.00 0.00 H new ATOM 902 N GLN A 59 -8.598 -4.308 7.980 1.00 0.00 N ATOM 903 CA GLN A 59 -9.159 -4.378 6.621 1.00 0.00 C ATOM 904 C GLN A 59 -8.963 -3.066 5.839 1.00 0.00 C ATOM 905 O GLN A 59 -8.488 -3.099 4.701 1.00 0.00 O ATOM 906 CB GLN A 59 -10.658 -4.727 6.701 1.00 0.00 C ATOM 907 CG GLN A 59 -10.908 -6.176 7.140 1.00 0.00 C ATOM 908 CD GLN A 59 -10.580 -7.168 6.027 1.00 0.00 C ATOM 909 OE1 GLN A 59 -9.467 -7.655 5.915 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.508 -7.467 5.145 1.00 0.00 N ATOM 0 H GLN A 59 -9.281 -4.504 8.712 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.622 -5.157 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.147 -4.050 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.117 -4.563 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.302 -6.400 8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.951 -6.292 7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.441 -7.065 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.295 -8.101 4.375 1.00 0.00 H new ATOM 919 N GLU A 60 -9.284 -1.918 6.447 1.00 0.00 N ATOM 920 CA GLU A 60 -9.131 -0.592 5.833 1.00 0.00 C ATOM 921 C GLU A 60 -7.670 -0.223 5.592 1.00 0.00 C ATOM 922 O GLU A 60 -7.372 0.540 4.672 1.00 0.00 O ATOM 923 CB GLU A 60 -9.735 0.500 6.727 1.00 0.00 C ATOM 924 CG GLU A 60 -11.245 0.355 6.849 1.00 0.00 C ATOM 925 CD GLU A 60 -11.848 1.533 7.604 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.632 1.640 8.834 1.00 0.00 O ATOM 927 OE2 GLU A 60 -12.538 2.373 6.974 1.00 0.00 O ATOM 0 H GLU A 60 -9.663 -1.883 7.393 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.653 -0.649 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.283 0.451 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.495 1.481 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.689 0.290 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.484 -0.574 7.367 1.00 0.00 H new ATOM 934 N ALA A 61 -6.753 -0.728 6.420 1.00 0.00 N ATOM 935 CA ALA A 61 -5.314 -0.556 6.201 1.00 0.00 C ATOM 936 C ALA A 61 -4.874 -1.207 4.883 1.00 0.00 C ATOM 937 O ALA A 61 -4.121 -0.594 4.133 1.00 0.00 O ATOM 938 CB ALA A 61 -4.520 -1.084 7.403 1.00 0.00 C ATOM 0 H ALA A 61 -6.984 -1.264 7.256 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.101 0.509 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.454 -0.948 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.809 -0.536 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.732 -2.144 7.542 1.00 0.00 H new ATOM 944 N ILE A 62 -5.371 -2.401 4.544 1.00 0.00 N ATOM 945 CA ILE A 62 -5.042 -3.033 3.254 1.00 0.00 C ATOM 946 C ILE A 62 -5.682 -2.271 2.087 1.00 0.00 C ATOM 947 O ILE A 62 -5.094 -2.194 1.008 1.00 0.00 O ATOM 948 CB ILE A 62 -5.461 -4.526 3.227 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.062 -5.336 4.482 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.887 -5.213 1.973 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.596 -5.203 4.910 1.00 0.00 C ATOM 0 H ILE A 62 -5.997 -2.948 5.135 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.959 -2.989 3.139 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.551 -4.517 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.695 -5.023 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.275 -6.389 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.187 -6.261 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.269 -4.718 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.799 -5.147 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.420 -5.809 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.949 -5.546 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.375 -4.159 5.133 1.00 0.00 H new ATOM 963 N ASP A 63 -6.872 -1.698 2.290 1.00 0.00 N ATOM 964 CA ASP A 63 -7.626 -0.970 1.261 1.00 0.00 C ATOM 965 C ASP A 63 -7.003 0.391 0.868 1.00 0.00 C ATOM 966 O ASP A 63 -7.435 1.002 -0.111 1.00 0.00 O ATOM 967 CB ASP A 63 -9.101 -0.838 1.694 1.00 0.00 C ATOM 968 CG ASP A 63 -10.062 -0.457 0.555 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.747 -0.711 -0.632 1.00 0.00 O ATOM 970 OD2 ASP A 63 -11.179 0.038 0.842 1.00 0.00 O ATOM 0 H ASP A 63 -7.349 -1.727 3.191 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.576 -1.560 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.426 -1.784 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.171 -0.086 2.480 1.00 0.00 H new ATOM 975 N ASP A 64 -5.976 0.865 1.585 1.00 0.00 N ATOM 976 CA ASP A 64 -5.181 2.038 1.183 1.00 0.00 C ATOM 977 C ASP A 64 -4.287 1.747 -0.041 1.00 0.00 C ATOM 978 O ASP A 64 -3.996 2.655 -0.824 1.00 0.00 O ATOM 979 CB ASP A 64 -4.337 2.535 2.377 1.00 0.00 C ATOM 980 CG ASP A 64 -5.152 3.243 3.471 1.00 0.00 C ATOM 981 OD1 ASP A 64 -6.248 3.783 3.197 1.00 0.00 O ATOM 982 OD2 ASP A 64 -4.665 3.332 4.624 1.00 0.00 O ATOM 0 H ASP A 64 -5.670 0.446 2.463 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.875 2.823 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.817 1.685 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.573 3.219 2.008 1.00 0.00 H new ATOM 987 N MET A 65 -3.874 0.488 -0.237 1.00 0.00 N ATOM 988 CA MET A 65 -2.990 0.063 -1.331 1.00 0.00 C ATOM 989 C MET A 65 -3.793 -0.489 -2.531 1.00 0.00 C ATOM 990 O MET A 65 -4.729 0.154 -3.012 1.00 0.00 O ATOM 991 CB MET A 65 -1.916 -0.909 -0.788 1.00 0.00 C ATOM 992 CG MET A 65 -1.026 -0.295 0.301 1.00 0.00 C ATOM 993 SD MET A 65 -1.597 -0.471 2.008 1.00 0.00 S ATOM 994 CE MET A 65 -1.272 -2.228 2.309 1.00 0.00 C ATOM 0 H MET A 65 -4.151 -0.280 0.374 1.00 0.00 H new ATOM 0 HA MET A 65 -2.459 0.928 -1.728 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.409 -1.794 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.288 -1.241 -1.614 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.036 -0.744 0.225 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.911 0.768 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.507 -2.469 3.346 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.892 -2.831 1.646 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.221 -2.442 2.117 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.402 -1.658 -3.055 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.061 -2.364 -4.157 1.00 0.00 C ATOM 1006 C GLY A 66 -3.963 -3.878 -3.992 1.00 0.00 C ATOM 1007 O GLY A 66 -3.407 -4.557 -4.853 1.00 0.00 O ATOM 0 H GLY A 66 -2.583 -2.157 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.109 -2.070 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.605 -2.070 -5.103 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.485 -4.381 -2.872 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.493 -5.789 -2.464 1.00 0.00 C ATOM 1013 C PHE A 67 -5.849 -6.165 -1.836 1.00 0.00 C ATOM 1014 O PHE A 67 -6.580 -5.304 -1.339 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.355 -6.044 -1.457 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.964 -5.588 -1.870 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.346 -6.126 -3.015 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.272 -4.639 -1.092 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.043 -5.732 -3.369 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.029 -4.238 -1.449 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.648 -4.794 -2.583 1.00 0.00 C ATOM 0 H PHE A 67 -4.941 -3.782 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.340 -6.410 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.612 -5.549 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.316 -7.114 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.875 -6.844 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.743 -4.217 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.427 -6.151 -4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.551 -3.504 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.653 -4.501 -2.849 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.183 -7.455 -1.835 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.489 -7.980 -1.414 1.00 0.00 C ATOM 1033 C ASP A 68 -7.368 -8.758 -0.093 1.00 0.00 C ATOM 1034 O ASP A 68 -6.370 -9.449 0.127 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.074 -8.861 -2.531 1.00 0.00 C ATOM 1036 CG ASP A 68 -8.303 -8.079 -3.828 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -7.358 -7.981 -4.641 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -9.434 -7.581 -4.054 1.00 0.00 O ATOM 0 H ASP A 68 -5.538 -8.186 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.168 -7.146 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.398 -9.694 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.019 -9.289 -2.196 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.371 -8.624 0.785 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.318 -9.089 2.174 1.00 0.00 C ATOM 1045 C ALA A 69 -9.712 -9.351 2.773 1.00 0.00 C ATOM 1046 O ALA A 69 -10.646 -8.570 2.571 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.571 -8.033 3.001 1.00 0.00 C ATOM 0 H ALA A 69 -9.257 -8.181 0.544 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.797 -10.046 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.518 -8.356 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.562 -7.909 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.102 -7.083 2.943 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.826 -10.422 3.566 1.00 0.00 N ATOM 1054 CA VAL A 70 -11.041 -10.866 4.269 1.00 0.00 C ATOM 1055 C VAL A 70 -10.610 -11.445 5.623 1.00 0.00 C ATOM 1056 O VAL A 70 -9.553 -12.076 5.713 1.00 0.00 O ATOM 1057 CB VAL A 70 -11.833 -11.936 3.466 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -13.241 -12.129 4.055 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.984 -11.596 1.972 1.00 0.00 C ATOM 0 H VAL A 70 -9.033 -11.037 3.746 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.708 -10.013 4.394 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.245 -12.850 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.777 -12.882 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.160 -12.456 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.785 -11.185 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.547 -12.386 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.515 -10.650 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.997 -11.511 1.517 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.402 -11.234 6.680 1.00 0.00 N ATOM 1070 CA ILE A 71 -11.125 -11.818 8.004 1.00 0.00 C ATOM 1071 C ILE A 71 -11.242 -13.349 7.939 1.00 0.00 C ATOM 1072 O ILE A 71 -12.186 -13.872 7.343 1.00 0.00 O ATOM 1073 CB ILE A 71 -12.057 -11.219 9.088 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -12.004 -9.676 9.179 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.766 -11.850 10.463 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -10.610 -9.078 9.411 1.00 0.00 C ATOM 0 H ILE A 71 -12.245 -10.661 6.647 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.104 -11.566 8.289 1.00 0.00 H new ATOM 0 HB ILE A 71 -13.072 -11.467 8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.410 -9.260 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.658 -9.354 9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.430 -11.416 11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.931 -12.926 10.412 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.730 -11.655 10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.684 -7.992 9.459 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.203 -9.456 10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -9.951 -9.361 8.590 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.296 -14.075 8.532 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.150 -15.525 8.393 1.00 0.00 C ATOM 1090 C HIS A 72 -9.700 -16.187 9.722 1.00 0.00 C ATOM 1091 O HIS A 72 -9.966 -15.629 10.795 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.197 -15.765 7.202 1.00 0.00 C ATOM 1093 CG HIS A 72 -9.389 -17.088 6.512 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -8.399 -17.906 6.021 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.586 -17.663 6.178 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -8.986 -18.956 5.424 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -10.326 -18.859 5.504 1.00 0.00 N ATOM 0 H HIS A 72 -9.590 -13.660 9.140 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.104 -16.007 8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.336 -14.965 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.168 -15.699 7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.564 -17.261 6.398 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.456 -19.766 4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.012 -19.523 5.146 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.038 -17.359 9.695 1.00 0.00 N ATOM 1106 CA ASN A 73 -8.616 -18.095 10.905 1.00 0.00 C ATOM 1107 C ASN A 73 -7.395 -19.006 10.693 1.00 0.00 C ATOM 1108 O ASN A 73 -6.292 -18.641 11.160 1.00 0.00 O ATOM 1109 CB ASN A 73 -9.849 -18.849 11.472 1.00 0.00 C ATOM 1110 CG ASN A 73 -9.732 -19.288 12.921 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -10.016 -20.425 13.278 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -9.383 -18.384 13.802 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.533 -20.085 10.076 1.00 0.00 O ATOM 0 H ASN A 73 -8.778 -17.827 8.827 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.260 -17.374 11.641 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.724 -18.206 11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.030 -19.730 10.856 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.346 -18.625 14.793 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.148 -17.439 13.498 1.00 0.00 H new ATOM 1121 N MET B 74 -2.024 18.672 -19.726 1.00 0.00 N ATOM 1122 CA MET B 74 -1.173 19.036 -20.880 1.00 0.00 C ATOM 1123 C MET B 74 0.264 18.488 -20.783 1.00 0.00 C ATOM 1124 O MET B 74 0.556 17.602 -21.593 1.00 0.00 O ATOM 1125 CB MET B 74 -1.243 20.533 -21.233 1.00 0.00 C ATOM 1126 CG MET B 74 -2.585 20.924 -21.856 1.00 0.00 C ATOM 1127 SD MET B 74 -3.009 20.007 -23.363 1.00 0.00 S ATOM 1128 CE MET B 74 -4.682 20.647 -23.638 1.00 0.00 C ATOM 0 HA MET B 74 -1.608 18.519 -21.736 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.078 21.124 -20.332 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.439 20.778 -21.927 1.00 0.00 H new ATOM 0 HG2 MET B 74 -3.373 20.770 -21.118 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.568 21.989 -22.086 1.00 0.00 H new ATOM 0 HE1 MET B 74 -5.104 20.189 -24.532 1.00 0.00 H new ATOM 0 HE2 MET B 74 -5.308 20.409 -22.778 1.00 0.00 H new ATOM 0 HE3 MET B 74 -4.641 21.728 -23.769 1.00 0.00 H new ATOM 1140 N PRO B 75 1.172 18.970 -19.896 1.00 0.00 N ATOM 1141 CA PRO B 75 2.572 18.522 -19.835 1.00 0.00 C ATOM 1142 C PRO B 75 2.735 17.136 -19.185 1.00 0.00 C ATOM 1143 O PRO B 75 1.770 16.539 -18.721 1.00 0.00 O ATOM 1144 CB PRO B 75 3.303 19.604 -19.026 1.00 0.00 C ATOM 1145 CG PRO B 75 2.227 20.073 -18.051 1.00 0.00 C ATOM 1146 CD PRO B 75 0.969 20.034 -18.916 1.00 0.00 C ATOM 0 HA PRO B 75 2.981 18.402 -20.838 1.00 0.00 H new ATOM 0 HB2 PRO B 75 4.174 19.203 -18.507 1.00 0.00 H new ATOM 0 HB3 PRO B 75 3.656 20.416 -19.661 1.00 0.00 H new ATOM 0 HG2 PRO B 75 2.147 19.415 -17.186 1.00 0.00 H new ATOM 0 HG3 PRO B 75 2.430 21.075 -17.672 1.00 0.00 H new ATOM 0 HD2 PRO B 75 0.086 19.838 -18.308 1.00 0.00 H new ATOM 0 HD3 PRO B 75 0.809 20.992 -19.411 1.00 0.00 H new ATOM 1154 N LYS B 76 3.973 16.632 -19.112 1.00 0.00 N ATOM 1155 CA LYS B 76 4.328 15.423 -18.349 1.00 0.00 C ATOM 1156 C LYS B 76 5.019 15.745 -17.008 1.00 0.00 C ATOM 1157 O LYS B 76 5.695 16.769 -16.883 1.00 0.00 O ATOM 1158 CB LYS B 76 5.237 14.508 -19.189 1.00 0.00 C ATOM 1159 CG LYS B 76 4.597 14.083 -20.520 1.00 0.00 C ATOM 1160 CD LYS B 76 5.310 12.887 -21.163 1.00 0.00 C ATOM 1161 CE LYS B 76 4.956 11.583 -20.437 1.00 0.00 C ATOM 1162 NZ LYS B 76 5.671 10.423 -21.023 1.00 0.00 N ATOM 0 H LYS B 76 4.770 17.057 -19.587 1.00 0.00 H new ATOM 0 HA LYS B 76 3.392 14.913 -18.121 1.00 0.00 H new ATOM 0 HB2 LYS B 76 6.175 15.025 -19.392 1.00 0.00 H new ATOM 0 HB3 LYS B 76 5.482 13.618 -18.610 1.00 0.00 H new ATOM 0 HG2 LYS B 76 3.551 13.829 -20.351 1.00 0.00 H new ATOM 0 HG3 LYS B 76 4.613 14.925 -21.212 1.00 0.00 H new ATOM 0 HD2 LYS B 76 5.027 12.812 -22.213 1.00 0.00 H new ATOM 0 HD3 LYS B 76 6.388 13.043 -21.134 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.210 11.673 -19.381 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.881 11.415 -20.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 5.409 9.558 -20.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 5.409 10.323 -22.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 6.697 10.573 -20.947 1.00 0.00 H new ATOM 1176 N HIS B 77 4.930 14.838 -16.033 1.00 0.00 N ATOM 1177 CA HIS B 77 5.705 14.862 -14.786 1.00 0.00 C ATOM 1178 C HIS B 77 5.944 13.436 -14.239 1.00 0.00 C ATOM 1179 O HIS B 77 5.218 12.504 -14.601 1.00 0.00 O ATOM 1180 CB HIS B 77 5.033 15.797 -13.762 1.00 0.00 C ATOM 1181 CG HIS B 77 3.540 15.657 -13.554 1.00 0.00 C ATOM 1182 ND1 HIS B 77 2.692 16.681 -13.196 1.00 0.00 N ATOM 1183 CD2 HIS B 77 2.770 14.533 -13.686 1.00 0.00 C ATOM 1184 CE1 HIS B 77 1.448 16.185 -13.096 1.00 0.00 C ATOM 1185 NE2 HIS B 77 1.442 14.875 -13.397 1.00 0.00 N ATOM 0 H HIS B 77 4.297 14.040 -16.089 1.00 0.00 H new ATOM 0 HA HIS B 77 6.695 15.268 -14.993 1.00 0.00 H new ATOM 0 HB2 HIS B 77 5.521 15.646 -12.799 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.235 16.825 -14.064 1.00 0.00 H new ATOM 0 HD2 HIS B 77 3.125 13.552 -13.965 1.00 0.00 H new ATOM 0 HE1 HIS B 77 0.577 16.757 -12.814 1.00 0.00 H new ATOM 0 HE2 HIS B 77 0.633 14.254 -13.412 1.00 0.00 H new ATOM 1193 N GLU B 78 6.967 13.255 -13.395 1.00 0.00 N ATOM 1194 CA GLU B 78 7.496 11.943 -12.989 1.00 0.00 C ATOM 1195 C GLU B 78 7.826 11.848 -11.488 1.00 0.00 C ATOM 1196 O GLU B 78 8.139 12.833 -10.819 1.00 0.00 O ATOM 1197 CB GLU B 78 8.702 11.525 -13.865 1.00 0.00 C ATOM 1198 CG GLU B 78 9.713 12.649 -14.144 1.00 0.00 C ATOM 1199 CD GLU B 78 10.978 12.163 -14.857 1.00 0.00 C ATOM 1200 OE1 GLU B 78 11.771 11.373 -14.298 1.00 0.00 O ATOM 1201 OE2 GLU B 78 11.207 12.590 -16.017 1.00 0.00 O ATOM 0 H GLU B 78 7.463 14.035 -12.964 1.00 0.00 H new ATOM 0 HA GLU B 78 6.689 11.230 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.221 10.701 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU B 78 8.329 11.146 -14.816 1.00 0.00 H new ATOM 0 HG2 GLU B 78 9.234 13.416 -14.752 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.993 13.118 -13.201 1.00 0.00 H new ATOM 1208 N PHE B 79 7.731 10.619 -10.965 1.00 0.00 N ATOM 1209 CA PHE B 79 7.785 10.255 -9.545 1.00 0.00 C ATOM 1210 C PHE B 79 8.423 8.860 -9.381 1.00 0.00 C ATOM 1211 O PHE B 79 8.395 8.045 -10.310 1.00 0.00 O ATOM 1212 CB PHE B 79 6.354 10.235 -8.960 1.00 0.00 C ATOM 1213 CG PHE B 79 5.549 11.522 -9.073 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.933 11.866 -10.295 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.382 12.364 -7.954 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.207 13.062 -10.418 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.626 13.546 -8.069 1.00 0.00 C ATOM 1218 CZ PHE B 79 4.044 13.898 -9.299 1.00 0.00 C ATOM 0 H PHE B 79 7.606 9.801 -11.561 1.00 0.00 H new ATOM 0 HA PHE B 79 8.389 10.991 -9.013 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.796 9.440 -9.455 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.422 9.968 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.021 11.204 -11.143 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.834 12.102 -7.009 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.775 13.339 -11.369 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.493 14.185 -7.209 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.472 14.810 -9.385 1.00 0.00 H new ATOM 1228 N SER B 80 8.944 8.546 -8.192 1.00 0.00 N ATOM 1229 CA SER B 80 9.458 7.210 -7.844 1.00 0.00 C ATOM 1230 C SER B 80 9.029 6.733 -6.446 1.00 0.00 C ATOM 1231 O SER B 80 8.755 7.536 -5.553 1.00 0.00 O ATOM 1232 CB SER B 80 10.988 7.160 -7.939 1.00 0.00 C ATOM 1233 OG SER B 80 11.388 5.802 -7.907 1.00 0.00 O ATOM 0 H SER B 80 9.024 9.219 -7.430 1.00 0.00 H new ATOM 0 HA SER B 80 9.015 6.534 -8.576 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.328 7.635 -8.859 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.439 7.709 -7.112 1.00 0.00 H new ATOM 0 HG SER B 80 10.735 5.257 -8.393 1.00 0.00 H new ATOM 1239 N VAL B 81 9.034 5.414 -6.253 1.00 0.00 N ATOM 1240 CA VAL B 81 8.585 4.676 -5.058 1.00 0.00 C ATOM 1241 C VAL B 81 9.515 3.481 -4.805 1.00 0.00 C ATOM 1242 O VAL B 81 10.297 3.109 -5.677 1.00 0.00 O ATOM 1243 CB VAL B 81 7.122 4.168 -5.193 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.111 5.278 -4.884 1.00 0.00 C ATOM 1245 CG2 VAL B 81 6.828 3.584 -6.586 1.00 0.00 C ATOM 0 H VAL B 81 9.376 4.782 -6.977 1.00 0.00 H new ATOM 0 HA VAL B 81 8.620 5.370 -4.218 1.00 0.00 H new ATOM 0 HB VAL B 81 7.014 3.369 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.099 4.887 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.260 5.632 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.254 6.105 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.793 3.244 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.988 4.351 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL B 81 7.494 2.742 -6.776 1.00 0.00 H new ATOM 1255 N ASP B 82 9.388 2.839 -3.641 1.00 0.00 N ATOM 1256 CA ASP B 82 10.103 1.618 -3.219 1.00 0.00 C ATOM 1257 C ASP B 82 9.644 0.336 -3.968 1.00 0.00 C ATOM 1258 O ASP B 82 9.504 -0.740 -3.395 1.00 0.00 O ATOM 1259 CB ASP B 82 9.952 1.511 -1.691 1.00 0.00 C ATOM 1260 CG ASP B 82 10.885 0.514 -0.993 1.00 0.00 C ATOM 1261 OD1 ASP B 82 11.946 0.137 -1.548 1.00 0.00 O ATOM 1262 OD2 ASP B 82 10.585 0.166 0.172 1.00 0.00 O ATOM 0 H ASP B 82 8.747 3.172 -2.921 1.00 0.00 H new ATOM 0 HA ASP B 82 11.156 1.699 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.118 2.498 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP B 82 8.922 1.234 -1.466 1.00 0.00 H new ATOM 1267 N MET B 83 9.373 0.456 -5.271 1.00 0.00 N ATOM 1268 CA MET B 83 8.950 -0.609 -6.188 1.00 0.00 C ATOM 1269 C MET B 83 10.122 -1.536 -6.552 1.00 0.00 C ATOM 1270 O MET B 83 10.596 -1.561 -7.689 1.00 0.00 O ATOM 1271 CB MET B 83 8.284 0.056 -7.406 1.00 0.00 C ATOM 1272 CG MET B 83 7.598 -0.898 -8.385 1.00 0.00 C ATOM 1273 SD MET B 83 7.161 -0.128 -9.968 1.00 0.00 S ATOM 1274 CE MET B 83 6.030 1.164 -9.392 1.00 0.00 C ATOM 0 H MET B 83 9.448 1.356 -5.744 1.00 0.00 H new ATOM 0 HA MET B 83 8.221 -1.264 -5.712 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.546 0.773 -7.048 1.00 0.00 H new ATOM 0 HB3 MET B 83 9.041 0.622 -7.948 1.00 0.00 H new ATOM 0 HG2 MET B 83 8.256 -1.746 -8.573 1.00 0.00 H new ATOM 0 HG3 MET B 83 6.694 -1.292 -7.921 1.00 0.00 H new ATOM 0 HE1 MET B 83 5.441 1.532 -10.232 1.00 0.00 H new ATOM 0 HE2 MET B 83 5.364 0.753 -8.634 1.00 0.00 H new ATOM 0 HE3 MET B 83 6.604 1.986 -8.964 1.00 0.00 H new ATOM 1284 N THR B 84 10.614 -2.300 -5.572 1.00 0.00 N ATOM 1285 CA THR B 84 11.569 -3.406 -5.771 1.00 0.00 C ATOM 1286 C THR B 84 10.920 -4.651 -6.375 1.00 0.00 C ATOM 1287 O THR B 84 11.648 -5.552 -6.789 1.00 0.00 O ATOM 1288 CB THR B 84 12.278 -3.747 -4.452 1.00 0.00 C ATOM 1289 OG1 THR B 84 11.332 -3.805 -3.409 1.00 0.00 O ATOM 1290 CG2 THR B 84 13.321 -2.681 -4.120 1.00 0.00 C ATOM 0 H THR B 84 10.356 -2.167 -4.594 1.00 0.00 H new ATOM 0 HA THR B 84 12.307 -3.060 -6.495 1.00 0.00 H new ATOM 0 HB THR B 84 12.773 -4.712 -4.560 1.00 0.00 H new ATOM 0 HG1 THR B 84 11.785 -4.024 -2.568 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.816 -2.935 -3.183 1.00 0.00 H new ATOM 0 HG22 THR B 84 14.060 -2.634 -4.919 1.00 0.00 H new ATOM 0 HG23 THR B 84 12.832 -1.712 -4.021 1.00 0.00 H new ATOM 1298 N CYS B 85 9.588 -4.687 -6.457 1.00 0.00 N ATOM 1299 CA CYS B 85 8.798 -5.780 -6.998 1.00 0.00 C ATOM 1300 C CYS B 85 7.735 -5.336 -8.039 1.00 0.00 C ATOM 1301 O CYS B 85 7.258 -4.192 -8.062 1.00 0.00 O ATOM 1302 CB CYS B 85 8.173 -6.493 -5.791 1.00 0.00 C ATOM 1303 SG CYS B 85 6.839 -5.504 -5.058 1.00 0.00 S ATOM 0 H CYS B 85 9.009 -3.914 -6.130 1.00 0.00 H new ATOM 0 HA CYS B 85 9.439 -6.451 -7.569 1.00 0.00 H new ATOM 0 HB2 CYS B 85 7.782 -7.462 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS B 85 8.941 -6.684 -5.041 1.00 0.00 H new ATOM 0 HG CYS B 85 6.081 -6.269 -4.330 1.00 0.00 H new ATOM 1308 N GLY B 86 7.306 -6.300 -8.862 1.00 0.00 N ATOM 1309 CA GLY B 86 6.188 -6.162 -9.800 1.00 0.00 C ATOM 1310 C GLY B 86 4.817 -6.156 -9.116 1.00 0.00 C ATOM 1311 O GLY B 86 3.857 -5.675 -9.721 1.00 0.00 O ATOM 0 H GLY B 86 7.740 -7.223 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY B 86 6.309 -5.237 -10.364 1.00 0.00 H new ATOM 0 HA3 GLY B 86 6.224 -6.980 -10.519 1.00 0.00 H new ATOM 1315 N GLY B 87 4.719 -6.604 -7.856 1.00 0.00 N ATOM 1316 CA GLY B 87 3.491 -6.547 -7.053 1.00 0.00 C ATOM 1317 C GLY B 87 3.149 -5.114 -6.649 1.00 0.00 C ATOM 1318 O GLY B 87 2.014 -4.671 -6.820 1.00 0.00 O ATOM 0 H GLY B 87 5.505 -7.023 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.664 -6.973 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.612 -7.159 -6.159 1.00 0.00 H new ATOM 1322 N CYS B 88 4.153 -4.349 -6.211 1.00 0.00 N ATOM 1323 CA CYS B 88 4.053 -2.911 -5.948 1.00 0.00 C ATOM 1324 C CYS B 88 3.586 -2.134 -7.194 1.00 0.00 C ATOM 1325 O CYS B 88 2.711 -1.273 -7.085 1.00 0.00 O ATOM 1326 CB CYS B 88 5.418 -2.457 -5.404 1.00 0.00 C ATOM 1327 SG CYS B 88 5.410 -0.685 -5.005 1.00 0.00 S ATOM 0 H CYS B 88 5.083 -4.723 -6.025 1.00 0.00 H new ATOM 0 HA CYS B 88 3.287 -2.697 -5.203 1.00 0.00 H new ATOM 0 HB2 CYS B 88 5.666 -3.032 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS B 88 6.193 -2.663 -6.142 1.00 0.00 H new ATOM 0 HG CYS B 88 6.576 -0.338 -4.547 1.00 0.00 H new ATOM 1333 N ALA B 89 4.078 -2.496 -8.387 1.00 0.00 N ATOM 1334 CA ALA B 89 3.626 -1.921 -9.661 1.00 0.00 C ATOM 1335 C ALA B 89 2.117 -2.134 -9.904 1.00 0.00 C ATOM 1336 O ALA B 89 1.394 -1.174 -10.170 1.00 0.00 O ATOM 1337 CB ALA B 89 4.474 -2.499 -10.799 1.00 0.00 C ATOM 0 H ALA B 89 4.807 -3.202 -8.495 1.00 0.00 H new ATOM 0 HA ALA B 89 3.765 -0.841 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.145 -2.077 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.522 -2.249 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.359 -3.583 -10.824 1.00 0.00 H new ATOM 1343 N GLU B 90 1.621 -3.366 -9.745 1.00 0.00 N ATOM 1344 CA GLU B 90 0.187 -3.665 -9.875 1.00 0.00 C ATOM 1345 C GLU B 90 -0.660 -2.930 -8.827 1.00 0.00 C ATOM 1346 O GLU B 90 -1.726 -2.400 -9.154 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.060 -5.176 -9.769 1.00 0.00 C ATOM 1348 CG GLU B 90 0.521 -5.923 -10.971 1.00 0.00 C ATOM 1349 CD GLU B 90 -0.032 -7.337 -11.038 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -1.103 -7.519 -11.665 1.00 0.00 O ATOM 1351 OE2 GLU B 90 0.596 -8.267 -10.478 1.00 0.00 O ATOM 0 H GLU B 90 2.195 -4.179 -9.524 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.120 -3.311 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU B 90 0.389 -5.556 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -1.131 -5.367 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU B 90 0.280 -5.388 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU B 90 1.608 -5.955 -10.896 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.167 -2.849 -7.586 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.822 -2.127 -6.501 1.00 0.00 C ATOM 1360 C ALA B 91 -0.872 -0.614 -6.760 1.00 0.00 C ATOM 1361 O ALA B 91 -1.942 -0.019 -6.626 1.00 0.00 O ATOM 1362 CB ALA B 91 -0.112 -2.468 -5.188 1.00 0.00 C ATOM 0 H ALA B 91 0.710 -3.290 -7.308 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.863 -2.443 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.591 -1.935 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.174 -3.541 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.935 -2.170 -5.252 1.00 0.00 H new ATOM 1368 N VAL B 92 0.231 0.016 -7.176 1.00 0.00 N ATOM 1369 CA VAL B 92 0.221 1.457 -7.478 1.00 0.00 C ATOM 1370 C VAL B 92 -0.639 1.767 -8.715 1.00 0.00 C ATOM 1371 O VAL B 92 -1.349 2.767 -8.709 1.00 0.00 O ATOM 1372 CB VAL B 92 1.631 2.090 -7.528 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.406 1.810 -8.820 1.00 0.00 C ATOM 1374 CG2 VAL B 92 1.555 3.609 -7.302 1.00 0.00 C ATOM 0 H VAL B 92 1.134 -0.439 -7.311 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.260 1.949 -6.633 1.00 0.00 H new ATOM 0 HB VAL B 92 2.184 1.609 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.383 2.291 -8.770 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.537 0.735 -8.940 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.850 2.205 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL B 92 2.558 4.033 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL B 92 0.939 4.062 -8.079 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.114 3.810 -6.326 1.00 0.00 H new ATOM 1384 N SER B 93 -0.718 0.874 -9.710 1.00 0.00 N ATOM 1385 CA SER B 93 -1.738 0.971 -10.771 1.00 0.00 C ATOM 1386 C SER B 93 -3.177 0.923 -10.216 1.00 0.00 C ATOM 1387 O SER B 93 -4.014 1.729 -10.635 1.00 0.00 O ATOM 1388 CB SER B 93 -1.525 -0.122 -11.830 1.00 0.00 C ATOM 1389 OG SER B 93 -0.573 0.286 -12.799 1.00 0.00 O ATOM 0 H SER B 93 -0.090 0.076 -9.805 1.00 0.00 H new ATOM 0 HA SER B 93 -1.614 1.946 -11.242 1.00 0.00 H new ATOM 0 HB2 SER B 93 -1.188 -1.039 -11.348 1.00 0.00 H new ATOM 0 HB3 SER B 93 -2.472 -0.349 -12.319 1.00 0.00 H new ATOM 0 HG SER B 93 -0.454 -0.427 -13.461 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.463 0.065 -9.223 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.752 0.049 -8.505 1.00 0.00 C ATOM 1397 C ARG B 94 -4.979 1.300 -7.638 1.00 0.00 C ATOM 1398 O ARG B 94 -6.133 1.703 -7.486 1.00 0.00 O ATOM 1399 CB ARG B 94 -4.893 -1.236 -7.663 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.256 -2.447 -8.533 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.236 -3.789 -7.793 1.00 0.00 C ATOM 1402 NE ARG B 94 -6.244 -3.873 -6.720 1.00 0.00 N ATOM 1403 CZ ARG B 94 -6.650 -4.984 -6.116 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -6.235 -6.182 -6.457 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -7.503 -4.901 -5.125 1.00 0.00 N ATOM 0 H ARG B 94 -2.805 -0.641 -8.893 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.530 0.060 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -3.958 -1.432 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.661 -1.091 -6.903 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -6.250 -2.292 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.561 -2.498 -9.371 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -5.407 -4.594 -8.508 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -4.246 -3.947 -7.366 1.00 0.00 H new ATOM 0 HE ARG B 94 -6.668 -2.998 -6.414 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -5.568 -6.292 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -6.580 -7.002 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -7.849 -3.990 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -7.822 -5.748 -4.654 1.00 0.00 H new ATOM 1419 N VAL B 95 -3.924 1.934 -7.112 1.00 0.00 N ATOM 1420 CA VAL B 95 -3.985 3.242 -6.416 1.00 0.00 C ATOM 1421 C VAL B 95 -4.278 4.409 -7.385 1.00 0.00 C ATOM 1422 O VAL B 95 -5.093 5.270 -7.058 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.714 3.514 -5.568 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.659 4.945 -5.004 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -2.651 2.542 -4.375 1.00 0.00 C ATOM 0 H VAL B 95 -2.980 1.550 -7.155 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.826 3.181 -5.726 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.870 3.374 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.747 5.071 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.666 5.661 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.525 5.118 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -1.755 2.744 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.533 2.677 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -2.621 1.516 -4.743 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.701 4.432 -8.597 1.00 0.00 N ATOM 1436 CA LEU B 96 -4.069 5.411 -9.639 1.00 0.00 C ATOM 1437 C LEU B 96 -5.541 5.255 -10.051 1.00 0.00 C ATOM 1438 O LEU B 96 -6.252 6.246 -10.220 1.00 0.00 O ATOM 1439 CB LEU B 96 -3.138 5.280 -10.870 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.881 6.179 -10.912 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -2.212 7.677 -10.800 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -0.840 5.800 -9.853 1.00 0.00 C ATOM 0 H LEU B 96 -2.972 3.779 -8.883 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.942 6.409 -9.219 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.812 4.242 -10.936 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.729 5.486 -11.762 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.447 5.999 -11.895 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -1.290 8.257 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -2.857 7.970 -11.628 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -2.724 7.867 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.019 6.466 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.281 5.893 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.517 4.771 -10.012 1.00 0.00 H new ATOM 1454 N ASN B 97 -6.034 4.016 -10.131 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.433 3.718 -10.450 1.00 0.00 C ATOM 1456 C ASN B 97 -8.448 4.243 -9.403 1.00 0.00 C ATOM 1457 O ASN B 97 -9.642 4.316 -9.700 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.559 2.204 -10.672 1.00 0.00 C ATOM 1459 CG ASN B 97 -8.855 1.824 -11.375 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -9.027 2.086 -12.561 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -9.786 1.208 -10.673 1.00 0.00 N ATOM 0 H ASN B 97 -5.467 3.183 -9.974 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.697 4.257 -11.360 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.713 1.855 -11.264 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -7.508 1.693 -9.710 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -10.666 0.942 -11.115 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -9.626 0.998 -9.688 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.009 4.672 -8.207 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.875 5.348 -7.225 1.00 0.00 C ATOM 1470 C LYS B 98 -9.259 6.766 -7.704 1.00 0.00 C ATOM 1471 O LYS B 98 -10.406 7.190 -7.546 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.181 5.422 -5.848 1.00 0.00 C ATOM 1473 CG LYS B 98 -7.546 4.130 -5.305 1.00 0.00 C ATOM 1474 CD LYS B 98 -8.534 3.027 -4.903 1.00 0.00 C ATOM 1475 CE LYS B 98 -7.802 1.735 -4.493 1.00 0.00 C ATOM 1476 NZ LYS B 98 -6.933 1.891 -3.296 1.00 0.00 N ATOM 0 H LYS B 98 -7.045 4.560 -7.894 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.788 4.761 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.402 6.183 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.914 5.769 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -6.872 3.731 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -6.937 4.382 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -9.152 3.375 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -9.205 2.817 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.540 0.957 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -7.194 1.392 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -6.311 1.062 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -6.354 2.749 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -7.525 1.971 -2.445 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.326 7.479 -8.356 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.588 8.757 -9.031 1.00 0.00 C ATOM 1492 C LEU B 99 -9.444 8.531 -10.281 1.00 0.00 C ATOM 1493 O LEU B 99 -10.542 9.088 -10.382 1.00 0.00 O ATOM 1494 CB LEU B 99 -7.260 9.464 -9.385 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.448 9.970 -8.176 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -5.065 10.449 -8.645 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.166 11.112 -7.445 1.00 0.00 C ATOM 0 H LEU B 99 -7.354 7.178 -8.429 1.00 0.00 H new ATOM 0 HA LEU B 99 -9.142 9.406 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.640 8.774 -9.957 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -7.479 10.310 -10.036 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.340 9.140 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.494 10.806 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.534 9.622 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -5.185 11.259 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.561 11.440 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.314 11.946 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -8.133 10.762 -7.085 1.00 0.00 H new ATOM 1509 N GLY B 100 -8.944 7.691 -11.197 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.558 7.417 -12.501 1.00 0.00 C ATOM 1511 C GLY B 100 -9.306 8.531 -13.523 1.00 0.00 C ATOM 1512 O GLY B 100 -9.233 9.709 -13.163 1.00 0.00 O ATOM 0 H GLY B 100 -8.080 7.171 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -9.167 6.477 -12.891 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.632 7.286 -12.371 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.189 8.167 -14.804 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.977 9.093 -15.925 1.00 0.00 C ATOM 1518 C GLY B 101 -7.567 9.675 -15.920 1.00 0.00 C ATOM 1519 O GLY B 101 -7.392 10.841 -15.561 1.00 0.00 O ATOM 0 H GLY B 101 -9.240 7.192 -15.100 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -9.151 8.571 -16.866 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.705 9.903 -15.870 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.569 8.858 -16.271 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.139 9.199 -16.166 1.00 0.00 C ATOM 1525 C VAL B 102 -4.303 8.508 -17.252 1.00 0.00 C ATOM 1526 O VAL B 102 -4.367 7.294 -17.433 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.554 8.865 -14.767 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -4.962 9.909 -13.715 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.940 7.468 -14.240 1.00 0.00 C ATOM 0 H VAL B 102 -6.731 7.922 -16.644 1.00 0.00 H new ATOM 0 HA VAL B 102 -5.080 10.277 -16.313 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.475 8.879 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -4.533 9.640 -12.750 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -4.594 10.890 -14.015 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -6.049 9.938 -13.634 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.492 7.313 -13.259 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -6.025 7.397 -14.159 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.577 6.706 -14.929 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.488 9.293 -17.964 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.513 8.813 -18.955 1.00 0.00 C ATOM 1541 C LYS B 103 -1.137 8.632 -18.293 1.00 0.00 C ATOM 1542 O LYS B 103 -0.533 9.617 -17.865 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.472 9.808 -20.134 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.725 9.647 -21.013 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.879 10.701 -22.119 1.00 0.00 C ATOM 1546 CE LYS B 103 -2.842 10.558 -23.234 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.135 11.476 -24.359 1.00 0.00 N ATOM 0 H LYS B 103 -3.486 10.308 -17.866 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.808 7.838 -19.344 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.414 10.829 -19.756 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.576 9.638 -20.731 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -3.704 8.659 -21.473 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.607 9.682 -20.373 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -4.878 10.625 -22.548 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -3.796 11.695 -21.679 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -1.848 10.768 -22.839 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -2.831 9.529 -23.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -2.415 11.357 -25.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -4.074 11.258 -24.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -3.122 12.458 -24.018 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.641 7.395 -18.175 1.00 0.00 N ATOM 1562 CA TYR B 104 0.609 7.087 -17.458 1.00 0.00 C ATOM 1563 C TYR B 104 1.310 5.792 -17.903 1.00 0.00 C ATOM 1564 O TYR B 104 0.704 4.903 -18.511 1.00 0.00 O ATOM 1565 CB TYR B 104 0.370 7.067 -15.935 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.312 5.823 -15.388 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -1.716 5.759 -15.304 1.00 0.00 C ATOM 1568 CD2 TYR B 104 0.462 4.730 -14.942 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -2.345 4.617 -14.772 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -0.162 3.580 -14.423 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.569 3.524 -14.329 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.172 2.411 -13.834 1.00 0.00 O ATOM 0 H TYR B 104 -1.095 6.574 -18.575 1.00 0.00 H new ATOM 0 HA TYR B 104 1.293 7.893 -17.723 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.331 7.181 -15.434 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -0.233 7.935 -15.670 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -2.313 6.590 -15.649 1.00 0.00 H new ATOM 0 HD2 TYR B 104 1.539 4.776 -14.999 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -3.422 4.577 -14.703 1.00 0.00 H new ATOM 0 HE2 TYR B 104 0.435 2.741 -14.097 1.00 0.00 H new ATOM 0 HH TYR B 104 -1.489 1.763 -13.562 1.00 0.00 H new ATOM 1582 N ASP B 105 2.587 5.666 -17.531 1.00 0.00 N ATOM 1583 CA ASP B 105 3.436 4.501 -17.803 1.00 0.00 C ATOM 1584 C ASP B 105 4.394 4.233 -16.624 1.00 0.00 C ATOM 1585 O ASP B 105 5.005 5.165 -16.089 1.00 0.00 O ATOM 1586 CB ASP B 105 4.199 4.766 -19.113 1.00 0.00 C ATOM 1587 CG ASP B 105 4.731 3.496 -19.777 1.00 0.00 C ATOM 1588 OD1 ASP B 105 3.897 2.735 -20.326 1.00 0.00 O ATOM 1589 OD2 ASP B 105 5.971 3.300 -19.803 1.00 0.00 O ATOM 0 H ASP B 105 3.076 6.397 -17.014 1.00 0.00 H new ATOM 0 HA ASP B 105 2.827 3.604 -17.914 1.00 0.00 H new ATOM 0 HB2 ASP B 105 3.539 5.282 -19.810 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.034 5.437 -18.909 1.00 0.00 H new ATOM 1594 N ILE B 106 4.519 2.968 -16.209 1.00 0.00 N ATOM 1595 CA ILE B 106 5.403 2.510 -15.116 1.00 0.00 C ATOM 1596 C ILE B 106 6.704 1.940 -15.693 1.00 0.00 C ATOM 1597 O ILE B 106 6.690 1.267 -16.722 1.00 0.00 O ATOM 1598 CB ILE B 106 4.675 1.464 -14.226 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.412 2.099 -13.596 1.00 0.00 C ATOM 1600 CG2 ILE B 106 5.619 0.904 -13.139 1.00 0.00 C ATOM 1601 CD1 ILE B 106 2.634 1.203 -12.622 1.00 0.00 C ATOM 0 H ILE B 106 3.993 2.205 -16.635 1.00 0.00 H new ATOM 0 HA ILE B 106 5.656 3.363 -14.486 1.00 0.00 H new ATOM 0 HB ILE B 106 4.369 0.626 -14.852 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.708 3.006 -13.069 1.00 0.00 H new ATOM 0 HG13 ILE B 106 2.740 2.401 -14.399 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.083 0.175 -12.532 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.474 0.423 -13.613 1.00 0.00 H new ATOM 0 HG23 ILE B 106 5.967 1.719 -12.504 1.00 0.00 H new ATOM 0 HD11 ILE B 106 1.769 1.746 -12.240 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.298 0.306 -13.142 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.281 0.920 -11.792 1.00 0.00 H new ATOM 1613 N ASP B 107 7.826 2.182 -15.013 1.00 0.00 N ATOM 1614 CA ASP B 107 9.119 1.570 -15.328 1.00 0.00 C ATOM 1615 C ASP B 107 9.706 0.865 -14.094 1.00 0.00 C ATOM 1616 O ASP B 107 10.171 1.510 -13.152 1.00 0.00 O ATOM 1617 CB ASP B 107 10.062 2.642 -15.882 1.00 0.00 C ATOM 1618 CG ASP B 107 11.172 1.992 -16.696 1.00 0.00 C ATOM 1619 OD1 ASP B 107 10.917 1.689 -17.888 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.273 1.790 -16.138 1.00 0.00 O ATOM 0 H ASP B 107 7.863 2.818 -14.216 1.00 0.00 H new ATOM 0 HA ASP B 107 8.985 0.803 -16.091 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.504 3.341 -16.506 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.491 3.219 -15.063 1.00 0.00 H new ATOM 1625 N LEU B 108 9.666 -0.473 -14.090 1.00 0.00 N ATOM 1626 CA LEU B 108 10.050 -1.300 -12.941 1.00 0.00 C ATOM 1627 C LEU B 108 11.564 -1.275 -12.620 1.00 0.00 C ATOM 1628 O LEU B 108 11.871 -1.216 -11.426 1.00 0.00 O ATOM 1629 CB LEU B 108 9.476 -2.721 -13.147 1.00 0.00 C ATOM 1630 CG LEU B 108 9.771 -3.736 -12.020 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.235 -3.281 -10.656 1.00 0.00 C ATOM 1632 CD2 LEU B 108 9.143 -5.094 -12.361 1.00 0.00 C ATOM 0 H LEU B 108 9.362 -1.019 -14.896 1.00 0.00 H new ATOM 0 HA LEU B 108 9.612 -0.870 -12.041 1.00 0.00 H new ATOM 0 HB2 LEU B 108 8.395 -2.642 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU B 108 9.871 -3.120 -14.082 1.00 0.00 H new ATOM 0 HG LEU B 108 10.856 -3.814 -11.948 1.00 0.00 H new ATOM 0 HD11 LEU B 108 9.471 -4.033 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU B 108 9.698 -2.334 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.154 -3.153 -10.714 1.00 0.00 H new ATOM 0 HD21 LEU B 108 9.355 -5.804 -11.562 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.064 -4.980 -12.468 1.00 0.00 H new ATOM 0 HD23 LEU B 108 9.563 -5.464 -13.296 1.00 0.00 H new ATOM 1644 N PRO B 109 12.510 -1.282 -13.588 1.00 0.00 N ATOM 1645 CA PRO B 109 13.945 -1.207 -13.305 1.00 0.00 C ATOM 1646 C PRO B 109 14.330 0.060 -12.537 1.00 0.00 C ATOM 1647 O PRO B 109 15.008 -0.025 -11.512 1.00 0.00 O ATOM 1648 CB PRO B 109 14.649 -1.262 -14.669 1.00 0.00 C ATOM 1649 CG PRO B 109 13.649 -1.985 -15.561 1.00 0.00 C ATOM 1650 CD PRO B 109 12.310 -1.504 -15.012 1.00 0.00 C ATOM 0 HA PRO B 109 14.246 -2.032 -12.659 1.00 0.00 H new ATOM 0 HB2 PRO B 109 14.873 -0.264 -15.045 1.00 0.00 H new ATOM 0 HB3 PRO B 109 15.595 -1.800 -14.610 1.00 0.00 H new ATOM 0 HG2 PRO B 109 13.776 -1.720 -16.611 1.00 0.00 H new ATOM 0 HG3 PRO B 109 13.751 -3.068 -15.491 1.00 0.00 H new ATOM 0 HD2 PRO B 109 11.993 -0.587 -15.508 1.00 0.00 H new ATOM 0 HD3 PRO B 109 11.530 -2.245 -15.184 1.00 0.00 H new ATOM 1658 N ASN B 110 13.866 1.224 -13.011 1.00 0.00 N ATOM 1659 CA ASN B 110 14.160 2.528 -12.412 1.00 0.00 C ATOM 1660 C ASN B 110 13.308 2.828 -11.159 1.00 0.00 C ATOM 1661 O ASN B 110 13.715 3.635 -10.317 1.00 0.00 O ATOM 1662 CB ASN B 110 13.941 3.594 -13.497 1.00 0.00 C ATOM 1663 CG ASN B 110 14.595 4.920 -13.134 1.00 0.00 C ATOM 1664 OD1 ASN B 110 13.980 5.814 -12.563 1.00 0.00 O ATOM 1665 ND2 ASN B 110 15.868 5.076 -13.436 1.00 0.00 N ATOM 0 H ASN B 110 13.267 1.284 -13.834 1.00 0.00 H new ATOM 0 HA ASN B 110 15.192 2.531 -12.062 1.00 0.00 H new ATOM 0 HB2 ASN B 110 14.347 3.237 -14.443 1.00 0.00 H new ATOM 0 HB3 ASN B 110 12.872 3.746 -13.646 1.00 0.00 H new ATOM 0 HD21 ASN B 110 16.347 5.944 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN B 110 16.375 4.329 -13.911 1.00 0.00 H new ATOM 1672 N LYS B 111 12.131 2.186 -11.066 1.00 0.00 N ATOM 1673 CA LYS B 111 11.063 2.294 -10.048 1.00 0.00 C ATOM 1674 C LYS B 111 10.109 3.492 -10.308 1.00 0.00 C ATOM 1675 O LYS B 111 9.432 3.983 -9.399 1.00 0.00 O ATOM 1676 CB LYS B 111 11.601 2.281 -8.600 1.00 0.00 C ATOM 1677 CG LYS B 111 12.638 1.197 -8.256 1.00 0.00 C ATOM 1678 CD LYS B 111 12.813 1.113 -6.729 1.00 0.00 C ATOM 1679 CE LYS B 111 14.001 0.253 -6.279 1.00 0.00 C ATOM 1680 NZ LYS B 111 15.295 0.934 -6.509 1.00 0.00 N ATOM 0 H LYS B 111 11.873 1.503 -11.779 1.00 0.00 H new ATOM 0 HA LYS B 111 10.465 1.389 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.046 3.255 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS B 111 10.754 2.168 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.314 0.233 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.592 1.430 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS B 111 12.938 2.121 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS B 111 11.900 0.709 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS B 111 13.898 0.018 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS B 111 13.988 -0.694 -6.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 16.072 0.320 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 15.406 1.136 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 15.318 1.826 -5.974 1.00 0.00 H new ATOM 1694 N LYS B 112 10.096 4.014 -11.541 1.00 0.00 N ATOM 1695 CA LYS B 112 9.485 5.284 -11.925 1.00 0.00 C ATOM 1696 C LYS B 112 8.010 5.137 -12.347 1.00 0.00 C ATOM 1697 O LYS B 112 7.614 4.117 -12.911 1.00 0.00 O ATOM 1698 CB LYS B 112 10.360 5.850 -13.060 1.00 0.00 C ATOM 1699 CG LYS B 112 9.930 7.240 -13.541 1.00 0.00 C ATOM 1700 CD LYS B 112 10.822 7.803 -14.651 1.00 0.00 C ATOM 1701 CE LYS B 112 12.276 8.024 -14.212 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.973 8.964 -15.117 1.00 0.00 N ATOM 0 H LYS B 112 10.532 3.538 -12.331 1.00 0.00 H new ATOM 0 HA LYS B 112 9.452 5.964 -11.074 1.00 0.00 H new ATOM 0 HB2 LYS B 112 11.394 5.898 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS B 112 10.334 5.160 -13.904 1.00 0.00 H new ATOM 0 HG2 LYS B 112 8.903 7.190 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS B 112 9.938 7.927 -12.695 1.00 0.00 H new ATOM 0 HD2 LYS B 112 10.807 7.120 -15.501 1.00 0.00 H new ATOM 0 HD3 LYS B 112 10.406 8.750 -14.996 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.296 8.413 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS B 112 12.803 7.070 -14.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 13.996 8.927 -14.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 12.787 8.697 -16.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 12.626 9.930 -14.948 1.00 0.00 H new ATOM 1716 N VAL B 113 7.222 6.195 -12.148 1.00 0.00 N ATOM 1717 CA VAL B 113 5.940 6.425 -12.837 1.00 0.00 C ATOM 1718 C VAL B 113 5.991 7.815 -13.485 1.00 0.00 C ATOM 1719 O VAL B 113 6.465 8.753 -12.846 1.00 0.00 O ATOM 1720 CB VAL B 113 4.730 6.331 -11.872 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.409 6.312 -12.663 1.00 0.00 C ATOM 1722 CG2 VAL B 113 4.793 5.082 -10.971 1.00 0.00 C ATOM 0 H VAL B 113 7.458 6.936 -11.489 1.00 0.00 H new ATOM 0 HA VAL B 113 5.802 5.649 -13.589 1.00 0.00 H new ATOM 0 HB VAL B 113 4.772 7.213 -11.233 1.00 0.00 H new ATOM 0 HG11 VAL B 113 2.571 6.246 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.323 7.227 -13.250 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.397 5.450 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL B 113 3.923 5.063 -10.314 1.00 0.00 H new ATOM 0 HG22 VAL B 113 4.799 4.186 -11.591 1.00 0.00 H new ATOM 0 HG23 VAL B 113 5.701 5.113 -10.369 1.00 0.00 H new ATOM 1732 N CYS B 114 5.524 7.956 -14.731 1.00 0.00 N ATOM 1733 CA CYS B 114 5.425 9.242 -15.441 1.00 0.00 C ATOM 1734 C CYS B 114 4.012 9.435 -16.024 1.00 0.00 C ATOM 1735 O CYS B 114 3.484 8.525 -16.673 1.00 0.00 O ATOM 1736 CB CYS B 114 6.513 9.293 -16.519 1.00 0.00 C ATOM 1737 SG CYS B 114 6.469 10.924 -17.314 1.00 0.00 S ATOM 0 H CYS B 114 5.197 7.166 -15.287 1.00 0.00 H new ATOM 0 HA CYS B 114 5.587 10.068 -14.748 1.00 0.00 H new ATOM 0 HB2 CYS B 114 7.493 9.115 -16.076 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.350 8.508 -17.258 1.00 0.00 H new ATOM 0 HG CYS B 114 6.004 11.803 -16.476 1.00 0.00 H new ATOM 1743 N ILE B 115 3.406 10.604 -15.789 1.00 0.00 N ATOM 1744 CA ILE B 115 1.975 10.896 -16.004 1.00 0.00 C ATOM 1745 C ILE B 115 1.795 12.142 -16.896 1.00 0.00 C ATOM 1746 O ILE B 115 2.542 13.115 -16.753 1.00 0.00 O ATOM 1747 CB ILE B 115 1.239 11.077 -14.642 1.00 0.00 C ATOM 1748 CG1 ILE B 115 1.521 9.964 -13.597 1.00 0.00 C ATOM 1749 CG2 ILE B 115 -0.285 11.146 -14.854 1.00 0.00 C ATOM 1750 CD1 ILE B 115 2.732 10.233 -12.693 1.00 0.00 C ATOM 0 H ILE B 115 3.917 11.410 -15.428 1.00 0.00 H new ATOM 0 HA ILE B 115 1.529 10.046 -16.521 1.00 0.00 H new ATOM 0 HB ILE B 115 1.636 12.010 -14.242 1.00 0.00 H new ATOM 0 HG12 ILE B 115 0.637 9.838 -12.971 1.00 0.00 H new ATOM 0 HG13 ILE B 115 1.677 9.021 -14.122 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.781 11.272 -13.892 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.525 11.991 -15.499 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.629 10.223 -15.321 1.00 0.00 H new ATOM 0 HD11 ILE B 115 2.855 9.406 -11.994 1.00 0.00 H new ATOM 0 HD12 ILE B 115 3.629 10.328 -13.305 1.00 0.00 H new ATOM 0 HD13 ILE B 115 2.573 11.157 -12.137 1.00 0.00 H new ATOM 1762 N GLU B 116 0.788 12.125 -17.778 1.00 0.00 N ATOM 1763 CA GLU B 116 0.411 13.192 -18.722 1.00 0.00 C ATOM 1764 C GLU B 116 -1.081 13.577 -18.546 1.00 0.00 C ATOM 1765 O GLU B 116 -1.931 13.297 -19.391 1.00 0.00 O ATOM 1766 CB GLU B 116 0.758 12.728 -20.153 1.00 0.00 C ATOM 1767 CG GLU B 116 0.746 13.867 -21.185 1.00 0.00 C ATOM 1768 CD GLU B 116 1.127 13.371 -22.581 1.00 0.00 C ATOM 1769 OE1 GLU B 116 2.313 13.049 -22.837 1.00 0.00 O ATOM 1770 OE2 GLU B 116 0.245 13.320 -23.466 1.00 0.00 O ATOM 0 H GLU B 116 0.173 11.315 -17.859 1.00 0.00 H new ATOM 0 HA GLU B 116 0.975 14.102 -18.519 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.744 12.264 -20.147 1.00 0.00 H new ATOM 0 HB3 GLU B 116 0.047 11.962 -20.461 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -0.246 14.318 -21.217 1.00 0.00 H new ATOM 0 HG3 GLU B 116 1.441 14.647 -20.874 1.00 0.00 H new ATOM 1777 N SER B 117 -1.432 14.204 -17.423 1.00 0.00 N ATOM 1778 CA SER B 117 -2.813 14.478 -16.981 1.00 0.00 C ATOM 1779 C SER B 117 -2.970 15.887 -16.387 1.00 0.00 C ATOM 1780 O SER B 117 -2.070 16.405 -15.719 1.00 0.00 O ATOM 1781 CB SER B 117 -3.199 13.424 -15.935 1.00 0.00 C ATOM 1782 OG SER B 117 -4.376 13.717 -15.201 1.00 0.00 O ATOM 0 H SER B 117 -0.737 14.553 -16.763 1.00 0.00 H new ATOM 0 HA SER B 117 -3.470 14.428 -17.849 1.00 0.00 H new ATOM 0 HB2 SER B 117 -3.330 12.465 -16.437 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.371 13.307 -15.235 1.00 0.00 H new ATOM 0 HG SER B 117 -4.815 12.881 -14.940 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.131 16.510 -16.605 1.00 0.00 N ATOM 1789 CA GLU B 118 -4.430 17.895 -16.222 1.00 0.00 C ATOM 1790 C GLU B 118 -4.533 18.172 -14.708 1.00 0.00 C ATOM 1791 O GLU B 118 -4.723 19.326 -14.318 1.00 0.00 O ATOM 1792 CB GLU B 118 -5.714 18.339 -16.943 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.980 17.647 -16.411 1.00 0.00 C ATOM 1794 CD GLU B 118 -8.140 17.849 -17.378 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -8.865 18.860 -17.224 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -8.301 17.031 -18.315 1.00 0.00 O ATOM 0 H GLU B 118 -4.915 16.051 -17.068 1.00 0.00 H new ATOM 0 HA GLU B 118 -3.567 18.483 -16.533 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -5.827 19.418 -16.838 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -5.615 18.131 -18.008 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.791 16.582 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.239 18.051 -15.432 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.427 17.158 -13.849 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.457 17.329 -12.386 1.00 0.00 C ATOM 1805 C HIS B 119 -3.117 17.843 -11.807 1.00 0.00 C ATOM 1806 O HIS B 119 -2.053 17.689 -12.414 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.880 16.006 -11.723 1.00 0.00 C ATOM 1808 CG HIS B 119 -3.987 14.832 -12.045 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -2.642 14.881 -12.338 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -4.385 13.531 -12.192 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -2.243 13.649 -12.676 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -3.280 12.795 -12.635 1.00 0.00 N ATOM 0 H HIS B 119 -4.317 16.188 -14.144 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.191 18.102 -12.160 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -4.900 16.146 -10.642 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -5.898 15.768 -12.032 1.00 0.00 H new ATOM 0 HD1 HIS B 119 -2.052 15.712 -12.303 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.374 13.142 -12.001 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -1.232 13.380 -12.944 1.00 0.00 H new ATOM 1820 N SER B 120 -3.133 18.405 -10.602 1.00 0.00 N ATOM 1821 CA SER B 120 -1.923 18.864 -9.905 1.00 0.00 C ATOM 1822 C SER B 120 -1.069 17.720 -9.337 1.00 0.00 C ATOM 1823 O SER B 120 -1.577 16.663 -8.952 1.00 0.00 O ATOM 1824 CB SER B 120 -2.297 19.791 -8.740 1.00 0.00 C ATOM 1825 OG SER B 120 -2.968 20.951 -9.189 1.00 0.00 O ATOM 0 H SER B 120 -3.991 18.559 -10.072 1.00 0.00 H new ATOM 0 HA SER B 120 -1.334 19.386 -10.659 1.00 0.00 H new ATOM 0 HB2 SER B 120 -2.932 19.253 -8.036 1.00 0.00 H new ATOM 0 HB3 SER B 120 -1.395 20.079 -8.200 1.00 0.00 H new ATOM 0 HG SER B 120 -3.192 21.517 -8.421 1.00 0.00 H new ATOM 1831 N MET B 121 0.230 17.992 -9.159 1.00 0.00 N ATOM 1832 CA MET B 121 1.151 17.184 -8.348 1.00 0.00 C ATOM 1833 C MET B 121 0.605 16.951 -6.933 1.00 0.00 C ATOM 1834 O MET B 121 0.763 15.860 -6.398 1.00 0.00 O ATOM 1835 CB MET B 121 2.511 17.898 -8.267 1.00 0.00 C ATOM 1836 CG MET B 121 3.234 17.960 -9.621 1.00 0.00 C ATOM 1837 SD MET B 121 4.668 19.070 -9.699 1.00 0.00 S ATOM 1838 CE MET B 121 5.556 18.614 -8.186 1.00 0.00 C ATOM 0 H MET B 121 0.682 18.801 -9.586 1.00 0.00 H new ATOM 0 HA MET B 121 1.262 16.210 -8.825 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.362 18.911 -7.893 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.144 17.382 -7.546 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.562 16.954 -9.883 1.00 0.00 H new ATOM 0 HG3 MET B 121 2.517 18.270 -10.381 1.00 0.00 H new ATOM 0 HE1 MET B 121 6.596 18.930 -8.265 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.092 19.104 -7.330 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.514 17.533 -8.051 1.00 0.00 H new ATOM 1848 N ASP B 122 -0.090 17.938 -6.359 1.00 0.00 N ATOM 1849 CA ASP B 122 -0.775 17.858 -5.063 1.00 0.00 C ATOM 1850 C ASP B 122 -1.724 16.649 -4.949 1.00 0.00 C ATOM 1851 O ASP B 122 -1.705 15.943 -3.937 1.00 0.00 O ATOM 1852 CB ASP B 122 -1.556 19.170 -4.864 1.00 0.00 C ATOM 1853 CG ASP B 122 -2.231 19.271 -3.492 1.00 0.00 C ATOM 1854 OD1 ASP B 122 -1.522 19.088 -2.475 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -3.445 19.587 -3.442 1.00 0.00 O ATOM 0 H ASP B 122 -0.196 18.851 -6.801 1.00 0.00 H new ATOM 0 HA ASP B 122 -0.024 17.718 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP B 122 -0.876 20.012 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -2.315 19.255 -5.642 1.00 0.00 H new ATOM 1860 N THR B 123 -2.522 16.397 -5.997 1.00 0.00 N ATOM 1861 CA THR B 123 -3.510 15.309 -6.086 1.00 0.00 C ATOM 1862 C THR B 123 -2.816 13.958 -6.175 1.00 0.00 C ATOM 1863 O THR B 123 -3.198 13.024 -5.466 1.00 0.00 O ATOM 1864 CB THR B 123 -4.396 15.548 -7.315 1.00 0.00 C ATOM 1865 OG1 THR B 123 -5.116 16.738 -7.098 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.414 14.445 -7.594 1.00 0.00 C ATOM 0 H THR B 123 -2.496 16.969 -6.841 1.00 0.00 H new ATOM 0 HA THR B 123 -4.128 15.301 -5.188 1.00 0.00 H new ATOM 0 HB THR B 123 -3.727 15.585 -8.175 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.692 16.918 -7.871 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.994 14.701 -8.481 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.893 13.503 -7.761 1.00 0.00 H new ATOM 0 HG23 THR B 123 -6.083 14.343 -6.740 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.771 13.864 -7.001 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.927 12.671 -7.080 1.00 0.00 C ATOM 1876 C LEU B 124 -0.262 12.377 -5.733 1.00 0.00 C ATOM 1877 O LEU B 124 -0.438 11.279 -5.218 1.00 0.00 O ATOM 1878 CB LEU B 124 0.120 12.824 -8.197 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.439 12.758 -9.633 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.729 12.972 -10.603 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.108 11.406 -9.936 1.00 0.00 C ATOM 0 H LEU B 124 -1.487 14.613 -7.633 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.561 11.819 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.631 13.778 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.870 12.042 -8.080 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.202 13.528 -9.745 1.00 0.00 H new ATOM 0 HD11 LEU B 124 0.362 12.930 -11.629 1.00 0.00 H new ATOM 0 HD12 LEU B 124 1.181 13.946 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU B 124 1.475 12.192 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -1.486 11.408 -10.958 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -0.378 10.605 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -1.935 11.246 -9.244 1.00 0.00 H new ATOM 1893 N LEU B 125 0.447 13.337 -5.132 1.00 0.00 N ATOM 1894 CA LEU B 125 1.168 13.153 -3.866 1.00 0.00 C ATOM 1895 C LEU B 125 0.233 12.764 -2.712 1.00 0.00 C ATOM 1896 O LEU B 125 0.559 11.853 -1.956 1.00 0.00 O ATOM 1897 CB LEU B 125 1.959 14.435 -3.538 1.00 0.00 C ATOM 1898 CG LEU B 125 3.185 14.674 -4.448 1.00 0.00 C ATOM 1899 CD1 LEU B 125 3.730 16.090 -4.218 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.304 13.650 -4.193 1.00 0.00 C ATOM 0 H LEU B 125 0.538 14.278 -5.516 1.00 0.00 H new ATOM 0 HA LEU B 125 1.862 12.321 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.290 15.292 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.294 14.387 -2.502 1.00 0.00 H new ATOM 0 HG LEU B 125 2.855 14.557 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU B 125 4.594 16.256 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU B 125 2.956 16.820 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU B 125 4.027 16.201 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.145 13.857 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU B 125 4.633 13.721 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.929 12.645 -4.387 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.946 13.386 -2.595 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.920 13.052 -1.550 1.00 0.00 C ATOM 1914 C ALA B 126 -2.436 11.602 -1.663 1.00 0.00 C ATOM 1915 O ALA B 126 -2.608 10.936 -0.638 1.00 0.00 O ATOM 1916 CB ALA B 126 -3.069 14.069 -1.617 1.00 0.00 C ATOM 0 H ALA B 126 -1.251 14.132 -3.220 1.00 0.00 H new ATOM 0 HA ALA B 126 -1.430 13.110 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -3.805 13.838 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -2.676 15.073 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -3.542 14.019 -2.598 1.00 0.00 H new ATOM 1922 N THR B 127 -2.659 11.134 -2.902 1.00 0.00 N ATOM 1923 CA THR B 127 -3.097 9.769 -3.252 1.00 0.00 C ATOM 1924 C THR B 127 -1.978 8.741 -3.081 1.00 0.00 C ATOM 1925 O THR B 127 -2.185 7.699 -2.468 1.00 0.00 O ATOM 1926 CB THR B 127 -3.647 9.735 -4.687 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.583 10.778 -4.846 1.00 0.00 O ATOM 1928 CG2 THR B 127 -4.373 8.423 -4.994 1.00 0.00 C ATOM 0 H THR B 127 -2.534 11.722 -3.726 1.00 0.00 H new ATOM 0 HA THR B 127 -3.893 9.496 -2.559 1.00 0.00 H new ATOM 0 HB THR B 127 -2.798 9.839 -5.362 1.00 0.00 H new ATOM 0 HG1 THR B 127 -4.113 11.608 -5.070 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.745 8.444 -6.018 1.00 0.00 H new ATOM 0 HG22 THR B 127 -3.682 7.588 -4.876 1.00 0.00 H new ATOM 0 HG23 THR B 127 -5.210 8.301 -4.307 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.782 9.018 -3.608 1.00 0.00 N ATOM 1937 CA LEU B 128 0.351 8.086 -3.626 1.00 0.00 C ATOM 1938 C LEU B 128 0.894 7.769 -2.227 1.00 0.00 C ATOM 1939 O LEU B 128 1.515 6.719 -2.050 1.00 0.00 O ATOM 1940 CB LEU B 128 1.464 8.641 -4.537 1.00 0.00 C ATOM 1941 CG LEU B 128 1.151 8.584 -6.049 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.200 9.401 -6.818 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.138 7.140 -6.578 1.00 0.00 C ATOM 0 H LEU B 128 -0.569 9.915 -4.044 1.00 0.00 H new ATOM 0 HA LEU B 128 -0.013 7.140 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU B 128 1.659 9.677 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.381 8.082 -4.349 1.00 0.00 H new ATOM 0 HG LEU B 128 0.157 9.004 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU B 128 1.981 9.362 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.174 10.437 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.191 8.985 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU B 128 0.914 7.145 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.114 6.684 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU B 128 0.376 6.566 -6.050 1.00 0.00 H new ATOM 1955 N LYS B 129 0.615 8.600 -1.218 1.00 0.00 N ATOM 1956 CA LYS B 129 0.850 8.287 0.200 1.00 0.00 C ATOM 1957 C LYS B 129 0.056 7.060 0.693 1.00 0.00 C ATOM 1958 O LYS B 129 0.516 6.344 1.585 1.00 0.00 O ATOM 1959 CB LYS B 129 0.526 9.537 1.035 1.00 0.00 C ATOM 1960 CG LYS B 129 1.640 10.584 0.893 1.00 0.00 C ATOM 1961 CD LYS B 129 1.244 11.918 1.536 1.00 0.00 C ATOM 1962 CE LYS B 129 2.329 12.956 1.241 1.00 0.00 C ATOM 1963 NZ LYS B 129 2.111 14.209 1.997 1.00 0.00 N ATOM 0 H LYS B 129 0.212 9.526 -1.363 1.00 0.00 H new ATOM 0 HA LYS B 129 1.899 8.014 0.320 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -0.424 9.962 0.710 1.00 0.00 H new ATOM 0 HB3 LYS B 129 0.410 9.261 2.083 1.00 0.00 H new ATOM 0 HG2 LYS B 129 2.552 10.211 1.359 1.00 0.00 H new ATOM 0 HG3 LYS B 129 1.862 10.740 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS B 129 0.284 12.255 1.144 1.00 0.00 H new ATOM 0 HD3 LYS B 129 1.123 11.796 2.612 1.00 0.00 H new ATOM 0 HE2 LYS B 129 3.305 12.543 1.495 1.00 0.00 H new ATOM 0 HE3 LYS B 129 2.343 13.174 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 2.866 14.887 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 1.190 14.616 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 2.123 14.006 3.017 1.00 0.00 H new ATOM 1977 N LYS B 130 -1.103 6.746 0.100 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.916 5.579 0.484 1.00 0.00 C ATOM 1979 C LYS B 130 -1.254 4.239 0.086 1.00 0.00 C ATOM 1980 O LYS B 130 -1.346 3.270 0.842 1.00 0.00 O ATOM 1981 CB LYS B 130 -3.347 5.740 -0.074 1.00 0.00 C ATOM 1982 CG LYS B 130 -4.040 7.078 0.253 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.140 7.373 1.757 1.00 0.00 C ATOM 1984 CE LYS B 130 -4.739 8.765 1.982 1.00 0.00 C ATOM 1985 NZ LYS B 130 -4.667 9.149 3.409 1.00 0.00 N ATOM 0 H LYS B 130 -1.506 7.293 -0.661 1.00 0.00 H new ATOM 0 HA LYS B 130 -1.982 5.542 1.571 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -3.311 5.625 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -3.963 4.928 0.313 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.493 7.887 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -5.043 7.071 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.759 6.619 2.243 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -3.152 7.316 2.213 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -4.204 9.497 1.377 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.777 8.776 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -5.079 10.096 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.198 8.461 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -3.673 9.160 3.716 1.00 0.00 H new ATOM 1999 N THR B 131 -0.457 4.224 -0.998 1.00 0.00 N ATOM 2000 CA THR B 131 0.396 3.096 -1.450 1.00 0.00 C ATOM 2001 C THR B 131 1.310 2.536 -0.357 1.00 0.00 C ATOM 2002 O THR B 131 1.666 1.360 -0.413 1.00 0.00 O ATOM 2003 CB THR B 131 1.287 3.496 -2.643 1.00 0.00 C ATOM 2004 OG1 THR B 131 0.696 4.521 -3.400 1.00 0.00 O ATOM 2005 CG2 THR B 131 1.542 2.319 -3.585 1.00 0.00 C ATOM 0 H THR B 131 -0.383 5.033 -1.615 1.00 0.00 H new ATOM 0 HA THR B 131 -0.315 2.322 -1.740 1.00 0.00 H new ATOM 0 HB THR B 131 2.229 3.835 -2.211 1.00 0.00 H new ATOM 0 HG1 THR B 131 0.946 5.391 -3.024 1.00 0.00 H new ATOM 0 HG21 THR B 131 2.174 2.645 -4.411 1.00 0.00 H new ATOM 0 HG22 THR B 131 2.042 1.518 -3.040 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.592 1.954 -3.976 1.00 0.00 H new ATOM 2013 N GLY B 132 1.697 3.357 0.627 1.00 0.00 N ATOM 2014 CA GLY B 132 2.427 2.917 1.817 1.00 0.00 C ATOM 2015 C GLY B 132 3.904 2.632 1.559 1.00 0.00 C ATOM 2016 O GLY B 132 4.468 1.741 2.197 1.00 0.00 O ATOM 0 H GLY B 132 1.508 4.359 0.616 1.00 0.00 H new ATOM 0 HA2 GLY B 132 2.343 3.683 2.588 1.00 0.00 H new ATOM 0 HA3 GLY B 132 1.955 2.016 2.210 1.00 0.00 H new ATOM 2020 N LYS B 133 4.503 3.368 0.621 1.00 0.00 N ATOM 2021 CA LYS B 133 5.910 3.298 0.202 1.00 0.00 C ATOM 2022 C LYS B 133 6.619 4.655 0.355 1.00 0.00 C ATOM 2023 O LYS B 133 5.995 5.702 0.148 1.00 0.00 O ATOM 2024 CB LYS B 133 5.989 2.881 -1.283 1.00 0.00 C ATOM 2025 CG LYS B 133 5.180 1.641 -1.693 1.00 0.00 C ATOM 2026 CD LYS B 133 5.611 0.354 -0.980 1.00 0.00 C ATOM 2027 CE LYS B 133 4.661 -0.768 -1.405 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.031 -2.053 -0.770 1.00 0.00 N ATOM 0 H LYS B 133 3.987 4.076 0.098 1.00 0.00 H new ATOM 0 HA LYS B 133 6.404 2.567 0.842 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.655 3.722 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS B 133 7.035 2.703 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS B 133 4.125 1.823 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS B 133 5.274 1.497 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS B 133 6.639 0.101 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS B 133 5.580 0.489 0.101 1.00 0.00 H new ATOM 0 HE2 LYS B 133 3.639 -0.506 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS B 133 4.683 -0.876 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 4.470 -2.822 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.043 -2.238 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 4.840 -2.003 0.251 1.00 0.00 H new ATOM 2042 N THR B 134 7.939 4.630 0.583 1.00 0.00 N ATOM 2043 CA THR B 134 8.846 5.788 0.490 1.00 0.00 C ATOM 2044 C THR B 134 8.757 6.393 -0.913 1.00 0.00 C ATOM 2045 O THR B 134 9.353 5.872 -1.853 1.00 0.00 O ATOM 2046 CB THR B 134 10.264 5.336 0.864 1.00 0.00 C ATOM 2047 OG1 THR B 134 10.227 5.034 2.240 1.00 0.00 O ATOM 2048 CG2 THR B 134 11.349 6.394 0.666 1.00 0.00 C ATOM 0 H THR B 134 8.425 3.773 0.847 1.00 0.00 H new ATOM 0 HA THR B 134 8.559 6.573 1.189 1.00 0.00 H new ATOM 0 HB THR B 134 10.524 4.502 0.213 1.00 0.00 H new ATOM 0 HG1 THR B 134 11.113 4.736 2.533 1.00 0.00 H new ATOM 0 HG21 THR B 134 12.316 5.983 0.957 1.00 0.00 H new ATOM 0 HG22 THR B 134 11.381 6.690 -0.382 1.00 0.00 H new ATOM 0 HG23 THR B 134 11.125 7.265 1.282 1.00 0.00 H new ATOM 2056 N VAL B 135 7.974 7.462 -1.046 1.00 0.00 N ATOM 2057 CA VAL B 135 7.599 8.118 -2.317 1.00 0.00 C ATOM 2058 C VAL B 135 8.324 9.460 -2.493 1.00 0.00 C ATOM 2059 O VAL B 135 8.489 10.209 -1.531 1.00 0.00 O ATOM 2060 CB VAL B 135 6.060 8.276 -2.446 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.400 9.103 -1.328 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.651 8.863 -3.809 1.00 0.00 C ATOM 0 H VAL B 135 7.559 7.924 -0.237 1.00 0.00 H new ATOM 0 HA VAL B 135 7.924 7.466 -3.128 1.00 0.00 H new ATOM 0 HB VAL B 135 5.689 7.255 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.326 9.159 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL B 135 5.587 8.628 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL B 135 5.819 10.109 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.566 8.956 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL B 135 6.105 9.846 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL B 135 5.992 8.203 -4.607 1.00 0.00 H new ATOM 2072 N SER B 136 8.761 9.767 -3.718 1.00 0.00 N ATOM 2073 CA SER B 136 9.544 10.975 -4.037 1.00 0.00 C ATOM 2074 C SER B 136 9.257 11.509 -5.453 1.00 0.00 C ATOM 2075 O SER B 136 8.971 10.747 -6.379 1.00 0.00 O ATOM 2076 CB SER B 136 11.057 10.705 -3.917 1.00 0.00 C ATOM 2077 OG SER B 136 11.410 9.951 -2.763 1.00 0.00 O ATOM 0 H SER B 136 8.581 9.178 -4.531 1.00 0.00 H new ATOM 0 HA SER B 136 9.237 11.728 -3.311 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.394 10.173 -4.806 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.587 11.657 -3.895 1.00 0.00 H new ATOM 0 HG SER B 136 12.380 9.813 -2.746 1.00 0.00 H new ATOM 2083 N TYR B 137 9.385 12.826 -5.635 1.00 0.00 N ATOM 2084 CA TYR B 137 9.238 13.521 -6.923 1.00 0.00 C ATOM 2085 C TYR B 137 10.530 13.484 -7.767 1.00 0.00 C ATOM 2086 O TYR B 137 11.636 13.467 -7.214 1.00 0.00 O ATOM 2087 CB TYR B 137 8.816 14.967 -6.625 1.00 0.00 C ATOM 2088 CG TYR B 137 8.716 15.871 -7.839 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.674 15.690 -8.767 1.00 0.00 C ATOM 2090 CD2 TYR B 137 9.675 16.883 -8.051 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.562 16.545 -9.878 1.00 0.00 C ATOM 2092 CE2 TYR B 137 9.577 17.732 -9.170 1.00 0.00 C ATOM 2093 CZ TYR B 137 8.501 17.581 -10.073 1.00 0.00 C ATOM 2094 OH TYR B 137 8.365 18.423 -11.133 1.00 0.00 O ATOM 0 H TYR B 137 9.601 13.461 -4.867 1.00 0.00 H new ATOM 0 HA TYR B 137 8.482 13.012 -7.521 1.00 0.00 H new ATOM 0 HB2 TYR B 137 7.849 14.951 -6.123 1.00 0.00 H new ATOM 0 HB3 TYR B 137 9.531 15.401 -5.926 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.959 14.893 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR B 137 10.489 17.007 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.756 16.409 -10.584 1.00 0.00 H new ATOM 0 HE2 TYR B 137 10.322 18.496 -9.337 1.00 0.00 H new ATOM 0 HH TYR B 137 8.935 19.209 -11.001 1.00 0.00 H new ATOM 2104 N LEU B 138 10.401 13.508 -9.100 1.00 0.00 N ATOM 2105 CA LEU B 138 11.511 13.547 -10.062 1.00 0.00 C ATOM 2106 C LEU B 138 11.387 14.752 -11.015 1.00 0.00 C ATOM 2107 O LEU B 138 10.302 15.291 -11.227 1.00 0.00 O ATOM 2108 CB LEU B 138 11.530 12.232 -10.858 1.00 0.00 C ATOM 2109 CG LEU B 138 11.704 10.928 -10.055 1.00 0.00 C ATOM 2110 CD1 LEU B 138 11.628 9.763 -11.050 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.038 10.873 -9.304 1.00 0.00 C ATOM 0 H LEU B 138 9.488 13.501 -9.555 1.00 0.00 H new ATOM 0 HA LEU B 138 12.447 13.661 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU B 138 10.598 12.162 -11.419 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.337 12.290 -11.588 1.00 0.00 H new ATOM 0 HG LEU B 138 10.918 10.872 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU B 138 11.748 8.820 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU B 138 10.661 9.776 -11.552 1.00 0.00 H new ATOM 0 HD13 LEU B 138 12.422 9.864 -11.790 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.108 9.934 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU B 138 13.860 10.939 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.096 11.707 -8.605 1.00 0.00 H new ATOM 2123 N GLY B 139 12.505 15.178 -11.608 1.00 0.00 N ATOM 2124 CA GLY B 139 12.651 16.456 -12.311 1.00 0.00 C ATOM 2125 C GLY B 139 11.782 16.632 -13.560 1.00 0.00 C ATOM 2126 O GLY B 139 11.707 15.760 -14.431 1.00 0.00 O ATOM 0 H GLY B 139 13.362 14.625 -11.612 1.00 0.00 H new ATOM 0 HA2 GLY B 139 12.420 17.261 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY B 139 13.696 16.574 -12.599 1.00 0.00 H new ATOM 2130 N LEU B 140 11.185 17.822 -13.653 1.00 0.00 N ATOM 2131 CA LEU B 140 10.356 18.301 -14.764 1.00 0.00 C ATOM 2132 C LEU B 140 11.200 18.595 -16.018 1.00 0.00 C ATOM 2133 O LEU B 140 12.428 18.689 -15.940 1.00 0.00 O ATOM 2134 CB LEU B 140 9.627 19.571 -14.265 1.00 0.00 C ATOM 2135 CG LEU B 140 8.308 19.932 -14.973 1.00 0.00 C ATOM 2136 CD1 LEU B 140 7.212 18.882 -14.730 1.00 0.00 C ATOM 2137 CD2 LEU B 140 7.817 21.296 -14.469 1.00 0.00 C ATOM 0 H LEU B 140 11.271 18.518 -12.913 1.00 0.00 H new ATOM 0 HA LEU B 140 9.639 17.536 -15.061 1.00 0.00 H new ATOM 0 HB2 LEU B 140 9.421 19.450 -13.202 1.00 0.00 H new ATOM 0 HB3 LEU B 140 10.309 20.416 -14.363 1.00 0.00 H new ATOM 0 HG LEU B 140 8.508 19.965 -16.044 1.00 0.00 H new ATOM 0 HD11 LEU B 140 6.301 19.180 -15.249 1.00 0.00 H new ATOM 0 HD12 LEU B 140 7.545 17.915 -15.107 1.00 0.00 H new ATOM 0 HD13 LEU B 140 7.012 18.805 -13.661 1.00 0.00 H new ATOM 0 HD21 LEU B 140 6.883 21.554 -14.969 1.00 0.00 H new ATOM 0 HD22 LEU B 140 7.651 21.248 -13.393 1.00 0.00 H new ATOM 0 HD23 LEU B 140 8.567 22.056 -14.687 1.00 0.00 H new ATOM 2149 N GLU B 141 10.553 18.809 -17.165 1.00 0.00 N ATOM 2150 CA GLU B 141 11.193 19.330 -18.390 1.00 0.00 C ATOM 2151 C GLU B 141 11.513 20.823 -18.283 1.00 0.00 C ATOM 2152 O GLU B 141 10.578 21.649 -18.179 1.00 0.00 O ATOM 2153 CB GLU B 141 10.320 19.036 -19.618 1.00 0.00 C ATOM 2154 CG GLU B 141 10.173 17.530 -19.876 1.00 0.00 C ATOM 2155 CD GLU B 141 9.236 17.244 -21.055 1.00 0.00 C ATOM 2156 OE1 GLU B 141 9.391 17.860 -22.140 1.00 0.00 O ATOM 2157 OE2 GLU B 141 8.331 16.380 -20.916 1.00 0.00 O ATOM 2158 OXT GLU B 141 12.718 21.163 -18.240 1.00 0.00 O ATOM 0 H GLU B 141 9.556 18.625 -17.278 1.00 0.00 H new ATOM 0 HA GLU B 141 12.145 18.812 -18.509 1.00 0.00 H new ATOM 0 HB2 GLU B 141 9.333 19.477 -19.474 1.00 0.00 H new ATOM 0 HB3 GLU B 141 10.757 19.513 -20.495 1.00 0.00 H new ATOM 0 HG2 GLU B 141 11.153 17.098 -20.078 1.00 0.00 H new ATOM 0 HG3 GLU B 141 9.789 17.043 -18.980 1.00 0.00 H new