USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.1!) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -1.53! F(o=-3.2,f=-0.99!) USER MOD Set 2.2: A 70 TYR OH : rot 160:sc= 0.54 USER MOD Set 3.1: A 55 GLN : amide:sc= -0.229 K(o=-0.7,f=-1.5) USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.469 X(o=-0.7,f=-0.28) USER MOD Set 4.1: A 33 GLN :FLIP amide:sc= -0.71 F(o=-3.7!,f=-2.4) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= -1.73! USER MOD Set 5.1: A 18 LYS NZ :NH3+ -165:sc= -0.127 (180deg=-0.517) USER MOD Set 5.2: A 20 ASN : amide:sc= -0.0732 X(o=-5.5,f=-5.9) USER MOD Set 5.3: A 22 GLN : amide:sc= -5.31! C(o=-5.5!,f=-8.6!) USER MOD Single : A 5 LYS NZ :NH3+ 132:sc= 0.154 (180deg=-3.29!) USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.23! C(o=-3.2!,f=-2.2!) USER MOD Single : A 11 MET CE :methyl -131:sc= -0.921 (180deg=-3.47!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.395 F(o=-2.9!,f=-0.4) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.18) USER MOD Single : A 15 THR OG1 : rot -153:sc= 1.72 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 35 SER OG : rot -63:sc= 0.963 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -0.522 (180deg=-1.83) USER MOD Single : A 42 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-2) USER MOD Single : A 45 THR OG1 : rot -62:sc= 0.399 USER MOD Single : A 47 MET CE :methyl -116:sc= -0.396 (180deg=-2.1) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0.164 (180deg=0.16) USER MOD Single : A 52 GLN : amide:sc= -3.95! C(o=-4!,f=-14!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0506) USER MOD Single : A 64 SER OG : rot -43:sc= 0.357 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.021) USER MOD Single : A 72 MET CE :methyl 148:sc= -0.972 (180deg=-1.97) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.713 -0.987 -0.944 1.00 0.00 N ATOM 2 CA PRO A 1 1.768 -0.818 -1.968 1.00 0.00 C ATOM 3 C PRO A 1 1.898 -2.089 -2.793 1.00 0.00 C ATOM 4 O PRO A 1 1.147 -3.042 -2.597 1.00 0.00 O ATOM 5 CB PRO A 1 3.084 -0.494 -1.274 1.00 0.00 C ATOM 6 CG PRO A 1 2.791 -0.730 0.163 1.00 0.00 C ATOM 7 CD PRO A 1 1.301 -0.524 0.326 1.00 0.00 C ATOM 0 H2 PRO A 1 0.422 -1.962 -0.877 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.117 -0.444 -1.182 1.00 0.00 H new ATOM 0 HA PRO A 1 1.505 -0.000 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.892 -1.134 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.390 0.536 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.080 -1.738 0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.351 -0.040 0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.914 -1.093 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.065 0.524 0.512 1.00 0.00 H new ATOM 17 N VAL A 2 2.850 -2.115 -3.711 1.00 0.00 N ATOM 18 CA VAL A 2 3.030 -3.272 -4.576 1.00 0.00 C ATOM 19 C VAL A 2 4.445 -3.807 -4.452 1.00 0.00 C ATOM 20 O VAL A 2 5.379 -3.063 -4.144 1.00 0.00 O ATOM 21 CB VAL A 2 2.734 -2.949 -6.062 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.364 -2.309 -6.211 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.814 -2.063 -6.662 1.00 0.00 C ATOM 0 H VAL A 2 3.508 -1.353 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 2 2.315 -4.026 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 2 2.734 -3.889 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.177 -2.091 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.601 -2.993 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.330 -1.383 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.576 -1.855 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.865 -1.126 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.776 -2.572 -6.604 1.00 0.00 H new ATOM 33 N SER A 3 4.601 -5.097 -4.673 1.00 0.00 N ATOM 34 CA SER A 3 5.901 -5.724 -4.576 1.00 0.00 C ATOM 35 C SER A 3 6.598 -5.733 -5.928 1.00 0.00 C ATOM 36 O SER A 3 6.214 -6.460 -6.853 1.00 0.00 O ATOM 37 CB SER A 3 5.772 -7.137 -4.014 1.00 0.00 C ATOM 38 OG SER A 3 5.176 -7.112 -2.727 1.00 0.00 O ATOM 0 H SER A 3 3.842 -5.731 -4.921 1.00 0.00 H new ATOM 0 HA SER A 3 6.515 -5.141 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.170 -7.748 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.756 -7.602 -3.956 1.00 0.00 H new ATOM 0 HG SER A 3 5.100 -8.027 -2.384 1.00 0.00 H new ATOM 44 N ILE A 4 7.622 -4.914 -6.024 1.00 0.00 N ATOM 45 CA ILE A 4 8.373 -4.732 -7.250 1.00 0.00 C ATOM 46 C ILE A 4 9.738 -5.390 -7.138 1.00 0.00 C ATOM 47 O ILE A 4 10.357 -5.385 -6.075 1.00 0.00 O ATOM 48 CB ILE A 4 8.549 -3.237 -7.579 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.626 -2.409 -6.297 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.418 -2.744 -8.469 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.889 -0.938 -6.541 1.00 0.00 C ATOM 0 H ILE A 4 7.962 -4.349 -5.246 1.00 0.00 H new ATOM 0 HA ILE A 4 7.809 -5.202 -8.056 1.00 0.00 H new ATOM 0 HB ILE A 4 9.486 -3.116 -8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.690 -2.516 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.416 -2.810 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.563 -1.686 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.414 -3.311 -9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.466 -2.881 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.931 -0.413 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.839 -0.820 -7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.087 -0.521 -7.150 1.00 0.00 H new ATOM 63 N LYS A 5 10.197 -5.961 -8.232 1.00 0.00 N ATOM 64 CA LYS A 5 11.460 -6.675 -8.246 1.00 0.00 C ATOM 65 C LYS A 5 12.355 -6.155 -9.350 1.00 0.00 C ATOM 66 O LYS A 5 11.876 -5.677 -10.375 1.00 0.00 O ATOM 67 CB LYS A 5 11.220 -8.166 -8.441 1.00 0.00 C ATOM 68 CG LYS A 5 10.447 -8.817 -7.308 1.00 0.00 C ATOM 69 CD LYS A 5 9.564 -9.939 -7.826 1.00 0.00 C ATOM 70 CE LYS A 5 8.200 -9.416 -8.239 1.00 0.00 C ATOM 71 NZ LYS A 5 7.363 -9.066 -7.064 1.00 0.00 N ATOM 0 H LYS A 5 9.712 -5.945 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 5 11.954 -6.513 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.676 -8.318 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.182 -8.668 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.143 -9.210 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.834 -8.070 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.045 -10.421 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.447 -10.699 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.324 -8.537 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.688 -10.169 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.945 -8.124 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.604 -9.769 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.953 -9.059 -6.207 1.00 0.00 H new ATOM 85 N VAL A 6 13.650 -6.271 -9.139 1.00 0.00 N ATOM 86 CA VAL A 6 14.637 -5.826 -10.108 1.00 0.00 C ATOM 87 C VAL A 6 15.664 -6.923 -10.330 1.00 0.00 C ATOM 88 O VAL A 6 16.502 -7.187 -9.467 1.00 0.00 O ATOM 89 CB VAL A 6 15.360 -4.536 -9.656 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.323 -4.061 -10.734 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.358 -3.440 -9.316 1.00 0.00 C ATOM 0 H VAL A 6 14.050 -6.676 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 6 14.108 -5.605 -11.035 1.00 0.00 H new ATOM 0 HB VAL A 6 15.930 -4.765 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.824 -3.152 -10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.066 -4.835 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.770 -3.855 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.892 -2.544 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.755 -3.213 -10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.709 -3.778 -8.508 1.00 0.00 H new ATOM 101 N GLN A 7 15.578 -7.582 -11.472 1.00 0.00 N ATOM 102 CA GLN A 7 16.489 -8.664 -11.799 1.00 0.00 C ATOM 103 C GLN A 7 17.875 -8.108 -12.087 1.00 0.00 C ATOM 104 O GLN A 7 18.100 -7.482 -13.118 1.00 0.00 O ATOM 105 CB GLN A 7 15.965 -9.456 -13.001 1.00 0.00 C ATOM 106 CG GLN A 7 16.130 -10.957 -12.856 1.00 0.00 C ATOM 107 CD GLN A 7 17.570 -11.401 -12.939 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.294 -11.209 -11.855 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 18.037 -11.838 -13.988 1.00 0.00 N flip ATOM 0 H GLN A 7 14.883 -7.385 -12.192 1.00 0.00 H new ATOM 0 HA GLN A 7 16.555 -9.340 -10.947 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.909 -9.227 -13.144 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.488 -9.126 -13.899 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.712 -11.272 -11.900 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.555 -11.457 -13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.433 -11.969 -14.800 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.028 -12.070 -14.047 1.00 0.00 H new ATOM 118 N VAL A 8 18.783 -8.329 -11.155 1.00 0.00 N ATOM 119 CA VAL A 8 20.142 -7.842 -11.268 1.00 0.00 C ATOM 120 C VAL A 8 20.966 -8.740 -12.188 1.00 0.00 C ATOM 121 O VAL A 8 20.925 -9.962 -12.067 1.00 0.00 O ATOM 122 CB VAL A 8 20.803 -7.770 -9.872 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.293 -7.521 -9.971 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.139 -6.696 -9.028 1.00 0.00 C ATOM 0 H VAL A 8 18.598 -8.851 -10.299 1.00 0.00 H new ATOM 0 HA VAL A 8 20.109 -6.841 -11.699 1.00 0.00 H new ATOM 0 HB VAL A 8 20.663 -8.737 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.722 -7.477 -8.970 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.761 -8.331 -10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.471 -6.576 -10.484 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.615 -6.657 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.244 -5.729 -9.521 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.081 -6.930 -8.908 1.00 0.00 H new ATOM 134 N PRO A 9 21.721 -8.142 -13.121 1.00 0.00 N ATOM 135 CA PRO A 9 22.573 -8.894 -14.042 1.00 0.00 C ATOM 136 C PRO A 9 23.782 -9.518 -13.331 1.00 0.00 C ATOM 137 O PRO A 9 24.247 -9.015 -12.304 1.00 0.00 O ATOM 138 CB PRO A 9 23.023 -7.829 -15.049 1.00 0.00 C ATOM 139 CG PRO A 9 22.958 -6.549 -14.296 1.00 0.00 C ATOM 140 CD PRO A 9 21.800 -6.689 -13.353 1.00 0.00 C ATOM 0 HA PRO A 9 22.051 -9.735 -14.499 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.033 -8.026 -15.409 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.371 -7.809 -15.922 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.885 -6.367 -13.753 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.813 -5.705 -14.971 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.969 -6.143 -12.425 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.879 -6.301 -13.788 1.00 0.00 H new ATOM 148 N ASN A 10 24.270 -10.628 -13.870 1.00 0.00 N ATOM 149 CA ASN A 10 25.424 -11.320 -13.302 1.00 0.00 C ATOM 150 C ASN A 10 26.722 -10.618 -13.698 1.00 0.00 C ATOM 151 O ASN A 10 27.199 -10.778 -14.821 1.00 0.00 O ATOM 152 CB ASN A 10 25.470 -12.779 -13.781 1.00 0.00 C ATOM 153 CG ASN A 10 24.364 -13.657 -13.220 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.646 -14.349 -12.127 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 23.272 -13.734 -13.783 1.00 0.00 N flip ATOM 0 H ASN A 10 23.884 -11.071 -14.703 1.00 0.00 H new ATOM 0 HA ASN A 10 25.323 -11.301 -12.217 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.413 -12.794 -14.869 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.433 -13.209 -13.507 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.092 -13.185 -14.624 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.547 -14.347 -13.409 1.00 0.00 H new ATOM 162 N MET A 11 27.286 -9.826 -12.786 1.00 0.00 N ATOM 163 CA MET A 11 28.554 -9.150 -13.038 1.00 0.00 C ATOM 164 C MET A 11 29.355 -9.013 -11.747 1.00 0.00 C ATOM 165 O MET A 11 29.430 -7.930 -11.173 1.00 0.00 O ATOM 166 CB MET A 11 28.306 -7.766 -13.655 1.00 0.00 C ATOM 167 CG MET A 11 28.303 -7.770 -15.176 1.00 0.00 C ATOM 168 SD MET A 11 28.511 -6.124 -15.896 1.00 0.00 S ATOM 169 CE MET A 11 26.990 -5.328 -15.394 1.00 0.00 C ATOM 0 H MET A 11 26.884 -9.638 -11.868 1.00 0.00 H new ATOM 0 HA MET A 11 29.130 -9.751 -13.741 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.349 -7.385 -13.299 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.074 -7.077 -13.303 1.00 0.00 H new ATOM 0 HG2 MET A 11 29.103 -8.419 -15.532 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.365 -8.198 -15.529 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.532 -4.843 -16.256 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.305 -6.074 -14.991 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.205 -4.582 -14.629 1.00 0.00 H new ATOM 179 N GLN A 12 29.978 -10.107 -11.304 1.00 0.00 N ATOM 180 CA GLN A 12 30.583 -10.142 -9.974 1.00 0.00 C ATOM 181 C GLN A 12 31.919 -9.415 -9.966 1.00 0.00 C ATOM 182 O GLN A 12 32.178 -8.577 -9.107 1.00 0.00 O ATOM 183 CB GLN A 12 30.810 -11.588 -9.502 1.00 0.00 C ATOM 184 CG GLN A 12 29.652 -12.547 -9.747 1.00 0.00 C ATOM 185 CD GLN A 12 29.692 -13.184 -11.127 1.00 0.00 C ATOM 186 OE1 GLN A 12 28.959 -12.616 -12.073 1.00 0.00 O flip ATOM 187 NE2 GLN A 12 30.354 -14.198 -11.332 1.00 0.00 N flip ATOM 0 H GLN A 12 30.076 -10.969 -11.840 1.00 0.00 H new ATOM 0 HA GLN A 12 29.889 -9.645 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.696 -11.980 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 12 31.027 -11.573 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.670 -13.331 -8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.711 -12.010 -9.628 1.00 0.00 H new ATOM 0 HE21 GLN A 12 30.907 -14.607 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 12 30.351 -14.631 -12.256 1.00 0.00 H new ATOM 196 N ASP A 13 32.755 -9.733 -10.938 1.00 0.00 N ATOM 197 CA ASP A 13 34.052 -9.084 -11.074 1.00 0.00 C ATOM 198 C ASP A 13 34.157 -8.415 -12.433 1.00 0.00 C ATOM 199 O ASP A 13 35.221 -7.937 -12.827 1.00 0.00 O ATOM 200 CB ASP A 13 35.190 -10.096 -10.888 1.00 0.00 C ATOM 201 CG ASP A 13 35.287 -11.089 -12.030 1.00 0.00 C ATOM 202 OD1 ASP A 13 34.282 -11.760 -12.323 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.370 -11.207 -12.638 1.00 0.00 O ATOM 0 H ASP A 13 32.560 -10.439 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 13 34.143 -8.325 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 13 36.135 -9.560 -10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.039 -10.637 -9.954 1.00 0.00 H new ATOM 208 N LYS A 14 33.035 -8.367 -13.144 1.00 0.00 N ATOM 209 CA LYS A 14 33.008 -7.781 -14.480 1.00 0.00 C ATOM 210 C LYS A 14 32.829 -6.280 -14.359 1.00 0.00 C ATOM 211 O LYS A 14 32.857 -5.551 -15.346 1.00 0.00 O ATOM 212 CB LYS A 14 31.863 -8.358 -15.322 1.00 0.00 C ATOM 213 CG LYS A 14 31.523 -9.809 -15.020 1.00 0.00 C ATOM 214 CD LYS A 14 32.726 -10.723 -15.161 1.00 0.00 C ATOM 215 CE LYS A 14 32.389 -12.123 -14.685 1.00 0.00 C ATOM 216 NZ LYS A 14 33.594 -12.979 -14.557 1.00 0.00 N ATOM 0 H LYS A 14 32.137 -8.725 -12.820 1.00 0.00 H new ATOM 0 HA LYS A 14 33.949 -8.017 -14.977 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.972 -7.750 -15.165 1.00 0.00 H new ATOM 0 HB3 LYS A 14 32.126 -8.272 -16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 14 31.129 -9.884 -14.007 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.734 -10.143 -15.694 1.00 0.00 H new ATOM 0 HD2 LYS A 14 33.046 -10.754 -16.202 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.561 -10.327 -14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.883 -12.065 -13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.691 -12.584 -15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.330 -13.974 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 34.295 -12.700 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 34.003 -12.863 -13.608 1.00 0.00 H new ATOM 230 N THR A 15 32.624 -5.836 -13.135 1.00 0.00 N ATOM 231 CA THR A 15 32.413 -4.431 -12.855 1.00 0.00 C ATOM 232 C THR A 15 32.643 -4.147 -11.369 1.00 0.00 C ATOM 233 O THR A 15 32.975 -5.055 -10.602 1.00 0.00 O ATOM 234 CB THR A 15 30.990 -3.997 -13.270 1.00 0.00 C ATOM 235 OG1 THR A 15 30.832 -2.582 -13.112 1.00 0.00 O ATOM 236 CG2 THR A 15 29.941 -4.727 -12.444 1.00 0.00 C ATOM 0 H THR A 15 32.599 -6.436 -12.311 1.00 0.00 H new ATOM 0 HA THR A 15 33.130 -3.854 -13.439 1.00 0.00 H new ATOM 0 HB THR A 15 30.851 -4.256 -14.320 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.887 -2.373 -12.959 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.946 -4.406 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.040 -5.802 -12.598 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.085 -4.497 -11.388 1.00 0.00 H new ATOM 244 N GLU A 16 32.458 -2.896 -10.974 1.00 0.00 N ATOM 245 CA GLU A 16 32.723 -2.464 -9.606 1.00 0.00 C ATOM 246 C GLU A 16 31.441 -2.415 -8.778 1.00 0.00 C ATOM 247 O GLU A 16 31.460 -2.058 -7.599 1.00 0.00 O ATOM 248 CB GLU A 16 33.390 -1.092 -9.629 1.00 0.00 C ATOM 249 CG GLU A 16 32.583 -0.038 -10.371 1.00 0.00 C ATOM 250 CD GLU A 16 33.337 1.265 -10.526 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.696 1.871 -9.494 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.573 1.687 -11.679 1.00 0.00 O ATOM 0 H GLU A 16 32.122 -2.154 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 16 33.389 -3.189 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.553 -0.759 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.371 -1.182 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.314 -0.418 -11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.652 0.146 -9.835 1.00 0.00 H new ATOM 259 N TRP A 17 30.335 -2.791 -9.402 1.00 0.00 N ATOM 260 CA TRP A 17 29.033 -2.756 -8.749 1.00 0.00 C ATOM 261 C TRP A 17 28.767 -4.058 -8.012 1.00 0.00 C ATOM 262 O TRP A 17 29.559 -4.997 -8.083 1.00 0.00 O ATOM 263 CB TRP A 17 27.926 -2.500 -9.770 1.00 0.00 C ATOM 264 CG TRP A 17 28.226 -1.344 -10.660 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.671 -0.113 -10.279 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.111 -1.309 -12.083 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.857 0.681 -11.381 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.517 -0.034 -12.503 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.709 -2.242 -13.041 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.532 0.334 -13.843 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.723 -1.874 -14.370 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.133 -0.598 -14.759 1.00 0.00 C ATOM 0 H TRP A 17 30.312 -3.126 -10.365 1.00 0.00 H new ATOM 0 HA TRP A 17 29.040 -1.940 -8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.782 -3.394 -10.377 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.988 -2.317 -9.246 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.851 0.192 -9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.193 1.644 -11.369 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.393 -3.232 -12.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.847 1.320 -14.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.412 -2.584 -15.122 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.135 -0.341 -15.808 1.00 0.00 H new ATOM 283 N LYS A 18 27.651 -4.103 -7.306 1.00 0.00 N ATOM 284 CA LYS A 18 27.292 -5.261 -6.499 1.00 0.00 C ATOM 285 C LYS A 18 26.372 -6.216 -7.262 1.00 0.00 C ATOM 286 O LYS A 18 25.549 -6.918 -6.672 1.00 0.00 O ATOM 287 CB LYS A 18 26.606 -4.800 -5.214 1.00 0.00 C ATOM 288 CG LYS A 18 25.254 -4.143 -5.434 1.00 0.00 C ATOM 289 CD LYS A 18 24.180 -4.910 -4.690 1.00 0.00 C ATOM 290 CE LYS A 18 23.103 -5.456 -5.611 1.00 0.00 C ATOM 291 NZ LYS A 18 22.213 -6.400 -4.881 1.00 0.00 N ATOM 0 H LYS A 18 26.970 -3.344 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 18 28.208 -5.800 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.478 -5.659 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.260 -4.097 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.281 -3.110 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.022 -4.116 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.640 -5.735 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.721 -4.256 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.514 -4.634 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.565 -5.965 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.654 -6.949 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.790 -7.047 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.572 -5.864 -4.261 1.00 0.00 H new ATOM 305 N LEU A 19 26.522 -6.268 -8.566 1.00 0.00 N ATOM 306 CA LEU A 19 25.623 -7.059 -9.387 1.00 0.00 C ATOM 307 C LEU A 19 26.111 -8.506 -9.470 1.00 0.00 C ATOM 308 O LEU A 19 27.161 -8.770 -10.028 1.00 0.00 O ATOM 309 CB LEU A 19 25.547 -6.471 -10.799 1.00 0.00 C ATOM 310 CG LEU A 19 25.367 -4.954 -10.865 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.261 -4.489 -12.305 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.145 -4.531 -10.083 1.00 0.00 C ATOM 0 H LEU A 19 27.252 -5.777 -9.082 1.00 0.00 H new ATOM 0 HA LEU A 19 24.634 -7.040 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.458 -6.736 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.718 -6.942 -11.327 1.00 0.00 H new ATOM 0 HG LEU A 19 26.244 -4.486 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.133 -3.407 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.170 -4.759 -12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.403 -4.966 -12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.033 -3.448 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.261 -5.011 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.259 -4.829 -9.041 1.00 0.00 H new ATOM 324 N ASN A 20 25.352 -9.451 -8.940 1.00 0.00 N ATOM 325 CA ASN A 20 25.822 -10.838 -8.904 1.00 0.00 C ATOM 326 C ASN A 20 24.764 -11.781 -9.444 1.00 0.00 C ATOM 327 O ASN A 20 24.779 -12.979 -9.165 1.00 0.00 O ATOM 328 CB ASN A 20 26.212 -11.240 -7.481 1.00 0.00 C ATOM 329 CG ASN A 20 27.346 -10.398 -6.931 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.516 -10.772 -7.008 1.00 0.00 O ATOM 331 ND2 ASN A 20 27.001 -9.240 -6.396 1.00 0.00 N ATOM 0 H ASN A 20 24.428 -9.296 -8.536 1.00 0.00 H new ATOM 0 HA ASN A 20 26.705 -10.910 -9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.344 -11.145 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.505 -12.290 -7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.718 -8.616 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.018 -8.971 -6.353 1.00 0.00 H new ATOM 338 N GLY A 21 23.852 -11.230 -10.235 1.00 0.00 N ATOM 339 CA GLY A 21 22.826 -12.036 -10.857 1.00 0.00 C ATOM 340 C GLY A 21 21.618 -12.249 -9.967 1.00 0.00 C ATOM 341 O GLY A 21 20.677 -12.944 -10.349 1.00 0.00 O ATOM 0 H GLY A 21 23.807 -10.235 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.508 -11.558 -11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.247 -13.005 -11.127 1.00 0.00 H new ATOM 345 N GLN A 22 21.641 -11.657 -8.778 1.00 0.00 N ATOM 346 CA GLN A 22 20.530 -11.797 -7.845 1.00 0.00 C ATOM 347 C GLN A 22 19.339 -10.947 -8.277 1.00 0.00 C ATOM 348 O GLN A 22 19.388 -10.241 -9.273 1.00 0.00 O ATOM 349 CB GLN A 22 20.946 -11.410 -6.423 1.00 0.00 C ATOM 350 CG GLN A 22 21.361 -9.953 -6.266 1.00 0.00 C ATOM 351 CD GLN A 22 22.856 -9.749 -6.379 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.640 -10.625 -6.044 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.259 -8.584 -6.856 1.00 0.00 N ATOM 0 H GLN A 22 22.411 -11.080 -8.439 1.00 0.00 H new ATOM 0 HA GLN A 22 20.237 -12.847 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.116 -11.614 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.775 -12.047 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.860 -9.354 -7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.022 -9.587 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.573 -7.878 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.256 -8.391 -6.955 1.00 0.00 H new ATOM 362 N VAL A 23 18.277 -11.014 -7.502 1.00 0.00 N ATOM 363 CA VAL A 23 17.067 -10.255 -7.783 1.00 0.00 C ATOM 364 C VAL A 23 16.754 -9.334 -6.611 1.00 0.00 C ATOM 365 O VAL A 23 16.801 -9.758 -5.458 1.00 0.00 O ATOM 366 CB VAL A 23 15.857 -11.185 -8.040 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.620 -10.379 -8.420 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.180 -12.207 -9.117 1.00 0.00 C ATOM 0 H VAL A 23 18.223 -11.591 -6.663 1.00 0.00 H new ATOM 0 HA VAL A 23 17.244 -9.669 -8.685 1.00 0.00 H new ATOM 0 HB VAL A 23 15.643 -11.719 -7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.784 -11.056 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.369 -9.694 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.822 -9.809 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.315 -12.849 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.430 -11.692 -10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.028 -12.814 -8.800 1.00 0.00 H new ATOM 378 N LEU A 24 16.461 -8.078 -6.906 1.00 0.00 N ATOM 379 CA LEU A 24 16.094 -7.123 -5.873 1.00 0.00 C ATOM 380 C LEU A 24 14.596 -7.187 -5.622 1.00 0.00 C ATOM 381 O LEU A 24 13.822 -7.396 -6.553 1.00 0.00 O ATOM 382 CB LEU A 24 16.473 -5.700 -6.290 1.00 0.00 C ATOM 383 CG LEU A 24 17.935 -5.489 -6.686 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.171 -4.044 -7.097 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.861 -5.875 -5.546 1.00 0.00 C ATOM 0 H LEU A 24 16.470 -7.696 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 24 16.635 -7.380 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.843 -5.408 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.239 -5.026 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 24 18.155 -6.132 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.216 -3.911 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.535 -3.799 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.931 -3.385 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.896 -5.717 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.640 -5.260 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.712 -6.925 -5.296 1.00 0.00 H new ATOM 397 N VAL A 25 14.195 -7.011 -4.375 1.00 0.00 N ATOM 398 CA VAL A 25 12.789 -7.030 -4.018 1.00 0.00 C ATOM 399 C VAL A 25 12.457 -5.832 -3.143 1.00 0.00 C ATOM 400 O VAL A 25 12.953 -5.704 -2.023 1.00 0.00 O ATOM 401 CB VAL A 25 12.388 -8.324 -3.276 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.918 -8.280 -2.885 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.677 -9.552 -4.129 1.00 0.00 C ATOM 0 H VAL A 25 14.827 -6.853 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 25 12.224 -6.988 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 25 12.987 -8.394 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.653 -9.199 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.741 -7.427 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.306 -8.182 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.386 -10.450 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.110 -9.491 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.742 -9.595 -4.356 1.00 0.00 H new ATOM 413 N PHE A 26 11.631 -4.951 -3.666 1.00 0.00 N ATOM 414 CA PHE A 26 11.227 -3.758 -2.949 1.00 0.00 C ATOM 415 C PHE A 26 9.713 -3.648 -2.963 1.00 0.00 C ATOM 416 O PHE A 26 9.049 -4.280 -3.779 1.00 0.00 O ATOM 417 CB PHE A 26 11.844 -2.508 -3.585 1.00 0.00 C ATOM 418 CG PHE A 26 13.347 -2.471 -3.547 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.015 -1.978 -2.438 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.092 -2.929 -4.622 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.396 -1.943 -2.401 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.473 -2.897 -4.591 1.00 0.00 C ATOM 423 CZ PHE A 26 16.126 -2.404 -3.480 1.00 0.00 C ATOM 0 H PHE A 26 11.222 -5.040 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 26 11.581 -3.831 -1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.517 -2.444 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.458 -1.626 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.449 -1.617 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.587 -3.316 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.904 -1.556 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.041 -3.258 -5.436 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.205 -2.378 -3.454 1.00 0.00 H new ATOM 433 N THR A 27 9.163 -2.880 -2.049 1.00 0.00 N ATOM 434 CA THR A 27 7.734 -2.639 -2.044 1.00 0.00 C ATOM 435 C THR A 27 7.462 -1.141 -2.032 1.00 0.00 C ATOM 436 O THR A 27 7.868 -0.433 -1.109 1.00 0.00 O ATOM 437 CB THR A 27 7.051 -3.296 -0.831 1.00 0.00 C ATOM 438 OG1 THR A 27 7.547 -4.633 -0.656 1.00 0.00 O ATOM 439 CG2 THR A 27 5.538 -3.340 -1.002 1.00 0.00 C ATOM 0 H THR A 27 9.678 -2.413 -1.303 1.00 0.00 H new ATOM 0 HA THR A 27 7.319 -3.085 -2.948 1.00 0.00 H new ATOM 0 HB THR A 27 7.282 -2.694 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.110 -5.045 0.118 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.087 -3.810 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.154 -2.325 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.289 -3.916 -1.893 1.00 0.00 H new ATOM 447 N LEU A 28 6.790 -0.668 -3.062 1.00 0.00 N ATOM 448 CA LEU A 28 6.471 0.745 -3.191 1.00 0.00 C ATOM 449 C LEU A 28 5.044 0.898 -3.682 1.00 0.00 C ATOM 450 O LEU A 28 4.516 0.003 -4.339 1.00 0.00 O ATOM 451 CB LEU A 28 7.438 1.436 -4.161 1.00 0.00 C ATOM 452 CG LEU A 28 8.867 1.615 -3.645 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.775 2.113 -4.756 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.896 2.582 -2.472 1.00 0.00 C ATOM 0 H LEU A 28 6.450 -1.246 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 28 6.574 1.218 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.473 0.859 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.035 2.417 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 28 9.230 0.645 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.788 2.235 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.781 1.390 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.409 3.072 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.921 2.696 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.512 3.551 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.276 2.193 -1.664 1.00 0.00 H new ATOM 466 N PRO A 29 4.380 2.000 -3.325 1.00 0.00 N ATOM 467 CA PRO A 29 3.043 2.292 -3.825 1.00 0.00 C ATOM 468 C PRO A 29 3.056 2.520 -5.327 1.00 0.00 C ATOM 469 O PRO A 29 4.046 2.999 -5.883 1.00 0.00 O ATOM 470 CB PRO A 29 2.639 3.573 -3.087 1.00 0.00 C ATOM 471 CG PRO A 29 3.919 4.179 -2.624 1.00 0.00 C ATOM 472 CD PRO A 29 4.874 3.039 -2.409 1.00 0.00 C ATOM 0 HA PRO A 29 2.349 1.469 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.097 4.252 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.981 3.352 -2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.308 4.878 -3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.771 4.741 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.900 3.325 -2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.866 2.698 -1.374 1.00 0.00 H new ATOM 480 N LEU A 30 1.953 2.181 -5.971 1.00 0.00 N ATOM 481 CA LEU A 30 1.803 2.344 -7.416 1.00 0.00 C ATOM 482 C LEU A 30 1.969 3.813 -7.814 1.00 0.00 C ATOM 483 O LEU A 30 2.157 4.142 -8.987 1.00 0.00 O ATOM 484 CB LEU A 30 0.422 1.830 -7.839 1.00 0.00 C ATOM 485 CG LEU A 30 0.178 1.734 -9.345 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.102 0.704 -9.971 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.278 1.388 -9.623 1.00 0.00 C ATOM 0 H LEU A 30 1.133 1.785 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 30 2.577 1.769 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.274 0.842 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.336 2.485 -7.409 1.00 0.00 H new ATOM 0 HG LEU A 30 0.395 2.703 -9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.913 0.650 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.139 0.993 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.918 -0.271 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.437 1.323 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.519 0.430 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.922 2.163 -9.207 1.00 0.00 H new ATOM 499 N THR A 31 1.918 4.684 -6.816 1.00 0.00 N ATOM 500 CA THR A 31 2.013 6.115 -7.018 1.00 0.00 C ATOM 501 C THR A 31 3.448 6.564 -7.287 1.00 0.00 C ATOM 502 O THR A 31 3.672 7.653 -7.821 1.00 0.00 O ATOM 503 CB THR A 31 1.449 6.854 -5.792 1.00 0.00 C ATOM 504 OG1 THR A 31 2.146 6.450 -4.603 1.00 0.00 O ATOM 505 CG2 THR A 31 -0.025 6.535 -5.626 1.00 0.00 C ATOM 0 H THR A 31 1.809 4.412 -5.839 1.00 0.00 H new ATOM 0 HA THR A 31 1.424 6.363 -7.901 1.00 0.00 H new ATOM 0 HB THR A 31 1.581 7.925 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.779 6.928 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.416 7.062 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.568 6.852 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.151 5.461 -5.486 1.00 0.00 H new ATOM 513 N ASP A 32 4.423 5.733 -6.919 1.00 0.00 N ATOM 514 CA ASP A 32 5.821 6.054 -7.202 1.00 0.00 C ATOM 515 C ASP A 32 6.145 5.834 -8.673 1.00 0.00 C ATOM 516 O ASP A 32 5.263 5.552 -9.492 1.00 0.00 O ATOM 517 CB ASP A 32 6.796 5.263 -6.318 1.00 0.00 C ATOM 518 CG ASP A 32 7.010 5.922 -4.971 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.839 6.857 -4.885 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.338 5.536 -3.998 1.00 0.00 O ATOM 0 H ASP A 32 4.275 4.848 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 32 5.951 7.110 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.412 4.254 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.753 5.168 -6.830 1.00 0.00 H new ATOM 525 N GLN A 33 7.413 5.977 -9.017 1.00 0.00 N ATOM 526 CA GLN A 33 7.819 5.942 -10.407 1.00 0.00 C ATOM 527 C GLN A 33 9.157 5.252 -10.598 1.00 0.00 C ATOM 528 O GLN A 33 9.850 4.920 -9.635 1.00 0.00 O ATOM 529 CB GLN A 33 7.874 7.359 -10.984 1.00 0.00 C ATOM 530 CG GLN A 33 8.492 8.403 -10.058 1.00 0.00 C ATOM 531 CD GLN A 33 7.519 8.955 -9.025 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.251 9.079 -9.392 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 7.912 9.292 -7.908 1.00 0.00 N flip ATOM 0 H GLN A 33 8.175 6.118 -8.354 1.00 0.00 H new ATOM 0 HA GLN A 33 7.070 5.360 -10.944 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.443 7.336 -11.914 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.861 7.673 -11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.344 7.960 -9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.877 9.227 -10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.895 9.183 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.255 9.681 -7.232 1.00 0.00 H new ATOM 542 N VAL A 34 9.515 5.056 -11.863 1.00 0.00 N ATOM 543 CA VAL A 34 10.770 4.418 -12.232 1.00 0.00 C ATOM 544 C VAL A 34 11.957 5.223 -11.708 1.00 0.00 C ATOM 545 O VAL A 34 13.034 4.680 -11.463 1.00 0.00 O ATOM 546 CB VAL A 34 10.889 4.278 -13.763 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.154 3.531 -14.146 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.664 3.577 -14.330 1.00 0.00 C ATOM 0 H VAL A 34 8.942 5.335 -12.659 1.00 0.00 H new ATOM 0 HA VAL A 34 10.779 3.425 -11.782 1.00 0.00 H new ATOM 0 HB VAL A 34 10.946 5.279 -14.190 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.212 3.447 -15.231 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.024 4.075 -13.777 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.136 2.534 -13.705 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.765 3.487 -15.412 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.577 2.584 -13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.772 4.158 -14.096 1.00 0.00 H new ATOM 558 N SER A 35 11.739 6.519 -11.535 1.00 0.00 N ATOM 559 CA SER A 35 12.740 7.417 -10.979 1.00 0.00 C ATOM 560 C SER A 35 13.265 6.893 -9.634 1.00 0.00 C ATOM 561 O SER A 35 14.438 7.057 -9.304 1.00 0.00 O ATOM 562 CB SER A 35 12.119 8.799 -10.795 1.00 0.00 C ATOM 563 OG SER A 35 11.183 9.061 -11.829 1.00 0.00 O ATOM 0 H SER A 35 10.861 6.978 -11.777 1.00 0.00 H new ATOM 0 HA SER A 35 13.583 7.476 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.625 8.857 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.900 9.560 -10.801 1.00 0.00 H new ATOM 0 HG SER A 35 11.645 9.071 -12.693 1.00 0.00 H new ATOM 569 N VAL A 36 12.393 6.236 -8.882 1.00 0.00 N ATOM 570 CA VAL A 36 12.756 5.692 -7.589 1.00 0.00 C ATOM 571 C VAL A 36 13.563 4.413 -7.768 1.00 0.00 C ATOM 572 O VAL A 36 14.418 4.084 -6.949 1.00 0.00 O ATOM 573 CB VAL A 36 11.494 5.396 -6.755 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.855 5.062 -5.322 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.524 6.568 -6.810 1.00 0.00 C ATOM 0 H VAL A 36 11.424 6.068 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 36 13.362 6.429 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 36 11.001 4.525 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.946 4.858 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.499 4.183 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.380 5.905 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.641 6.337 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.008 7.460 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.228 6.747 -7.844 1.00 0.00 H new ATOM 585 N ILE A 37 13.293 3.703 -8.853 1.00 0.00 N ATOM 586 CA ILE A 37 13.992 2.459 -9.143 1.00 0.00 C ATOM 587 C ILE A 37 15.423 2.740 -9.591 1.00 0.00 C ATOM 588 O ILE A 37 16.365 2.105 -9.125 1.00 0.00 O ATOM 589 CB ILE A 37 13.272 1.621 -10.233 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.764 1.548 -9.956 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.868 0.220 -10.304 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.411 0.936 -8.617 1.00 0.00 C ATOM 0 H ILE A 37 12.594 3.967 -9.548 1.00 0.00 H new ATOM 0 HA ILE A 37 13.999 1.881 -8.219 1.00 0.00 H new ATOM 0 HB ILE A 37 13.419 2.112 -11.195 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.347 2.554 -10.005 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.288 0.967 -10.746 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.353 -0.356 -11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.928 0.287 -10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.750 -0.275 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.328 0.921 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.795 -0.083 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.856 1.529 -7.818 1.00 0.00 H new ATOM 604 N LYS A 38 15.589 3.709 -10.479 1.00 0.00 N ATOM 605 CA LYS A 38 16.916 4.042 -10.985 1.00 0.00 C ATOM 606 C LYS A 38 17.838 4.536 -9.878 1.00 0.00 C ATOM 607 O LYS A 38 19.005 4.143 -9.819 1.00 0.00 O ATOM 608 CB LYS A 38 16.847 5.086 -12.094 1.00 0.00 C ATOM 609 CG LYS A 38 15.862 6.199 -11.810 1.00 0.00 C ATOM 610 CD LYS A 38 16.259 7.498 -12.484 1.00 0.00 C ATOM 611 CE LYS A 38 17.522 8.086 -11.874 1.00 0.00 C ATOM 612 NZ LYS A 38 17.807 9.449 -12.405 1.00 0.00 N ATOM 0 H LYS A 38 14.831 4.274 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 38 17.329 3.120 -11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.838 5.516 -12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.571 4.596 -13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.871 5.902 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.793 6.356 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.417 7.322 -13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.444 8.217 -12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.415 8.133 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.367 7.430 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.675 9.818 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.934 9.400 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.012 10.081 -12.183 1.00 0.00 H new ATOM 626 N VAL A 39 17.327 5.389 -8.996 1.00 0.00 N ATOM 627 CA VAL A 39 18.167 5.942 -7.943 1.00 0.00 C ATOM 628 C VAL A 39 18.518 4.873 -6.920 1.00 0.00 C ATOM 629 O VAL A 39 19.644 4.831 -6.428 1.00 0.00 O ATOM 630 CB VAL A 39 17.521 7.145 -7.224 1.00 0.00 C ATOM 631 CG1 VAL A 39 17.176 8.237 -8.218 1.00 0.00 C ATOM 632 CG2 VAL A 39 16.302 6.716 -6.427 1.00 0.00 C ATOM 0 H VAL A 39 16.358 5.706 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 39 19.071 6.301 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 39 18.246 7.550 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.722 9.077 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.084 8.572 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.475 7.849 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.868 7.584 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.565 6.275 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.597 5.981 -5.679 1.00 0.00 H new ATOM 642 N LYS A 40 17.568 3.989 -6.624 1.00 0.00 N ATOM 643 CA LYS A 40 17.809 2.944 -5.635 1.00 0.00 C ATOM 644 C LYS A 40 18.884 1.980 -6.125 1.00 0.00 C ATOM 645 O LYS A 40 19.689 1.500 -5.336 1.00 0.00 O ATOM 646 CB LYS A 40 16.528 2.182 -5.246 1.00 0.00 C ATOM 647 CG LYS A 40 15.897 1.365 -6.353 1.00 0.00 C ATOM 648 CD LYS A 40 14.742 0.500 -5.849 1.00 0.00 C ATOM 649 CE LYS A 40 13.725 1.303 -5.035 1.00 0.00 C ATOM 650 NZ LYS A 40 14.114 1.433 -3.599 1.00 0.00 N ATOM 0 H LYS A 40 16.640 3.975 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 40 18.162 3.441 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.760 1.517 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.793 2.901 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.534 2.034 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.655 0.727 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.240 0.038 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.138 -0.309 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.620 2.297 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.750 0.821 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.315 1.150 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.930 0.819 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.368 2.421 -3.396 1.00 0.00 H new ATOM 664 N ILE A 41 18.915 1.718 -7.427 1.00 0.00 N ATOM 665 CA ILE A 41 19.944 0.859 -7.990 1.00 0.00 C ATOM 666 C ILE A 41 21.275 1.600 -8.031 1.00 0.00 C ATOM 667 O ILE A 41 22.322 1.044 -7.702 1.00 0.00 O ATOM 668 CB ILE A 41 19.573 0.393 -9.405 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.238 -0.347 -9.375 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.665 -0.501 -9.978 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.657 -0.574 -10.747 1.00 0.00 C ATOM 0 H ILE A 41 18.246 2.085 -8.104 1.00 0.00 H new ATOM 0 HA ILE A 41 20.030 -0.020 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 41 19.477 1.268 -10.048 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.374 -1.309 -8.881 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.527 0.222 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.384 -0.821 -10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.602 0.053 -10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.791 -1.376 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.709 -1.104 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.491 0.386 -11.235 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.350 -1.168 -11.342 1.00 0.00 H new ATOM 683 N HIS A 42 21.218 2.861 -8.425 1.00 0.00 N ATOM 684 CA HIS A 42 22.397 3.717 -8.455 1.00 0.00 C ATOM 685 C HIS A 42 23.025 3.848 -7.068 1.00 0.00 C ATOM 686 O HIS A 42 24.243 3.913 -6.945 1.00 0.00 O ATOM 687 CB HIS A 42 22.040 5.103 -9.021 1.00 0.00 C ATOM 688 CG HIS A 42 23.085 6.157 -8.780 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.304 6.172 -9.422 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.091 7.223 -7.948 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.011 7.200 -8.991 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.300 7.856 -8.094 1.00 0.00 N ATOM 0 H HIS A 42 20.360 3.320 -8.732 1.00 0.00 H new ATOM 0 HA HIS A 42 23.133 3.251 -9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.873 5.012 -10.094 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.100 5.432 -8.579 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.290 7.522 -7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.007 7.461 -9.318 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.599 8.693 -7.593 1.00 0.00 H new ATOM 701 N GLU A 43 22.197 3.880 -6.033 1.00 0.00 N ATOM 702 CA GLU A 43 22.701 4.017 -4.668 1.00 0.00 C ATOM 703 C GLU A 43 23.119 2.670 -4.090 1.00 0.00 C ATOM 704 O GLU A 43 24.045 2.590 -3.284 1.00 0.00 O ATOM 705 CB GLU A 43 21.649 4.667 -3.767 1.00 0.00 C ATOM 706 CG GLU A 43 21.415 6.136 -4.076 1.00 0.00 C ATOM 707 CD GLU A 43 22.680 6.955 -3.938 1.00 0.00 C ATOM 708 OE1 GLU A 43 23.153 7.138 -2.796 1.00 0.00 O ATOM 709 OE2 GLU A 43 23.205 7.428 -4.965 1.00 0.00 O ATOM 0 H GLU A 43 21.182 3.814 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 43 23.581 4.659 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.708 4.127 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.960 4.567 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.028 6.236 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.653 6.531 -3.404 1.00 0.00 H new ATOM 716 N ALA A 44 22.442 1.616 -4.515 1.00 0.00 N ATOM 717 CA ALA A 44 22.692 0.285 -3.982 1.00 0.00 C ATOM 718 C ALA A 44 23.899 -0.358 -4.649 1.00 0.00 C ATOM 719 O ALA A 44 24.687 -1.049 -4.002 1.00 0.00 O ATOM 720 CB ALA A 44 21.464 -0.595 -4.164 1.00 0.00 C ATOM 0 H ALA A 44 21.714 1.655 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 44 22.906 0.384 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.665 -1.588 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.619 -0.153 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.228 -0.675 -5.225 1.00 0.00 H new ATOM 726 N THR A 45 24.040 -0.136 -5.944 1.00 0.00 N ATOM 727 CA THR A 45 25.109 -0.756 -6.706 1.00 0.00 C ATOM 728 C THR A 45 26.187 0.263 -7.044 1.00 0.00 C ATOM 729 O THR A 45 27.377 0.018 -6.845 1.00 0.00 O ATOM 730 CB THR A 45 24.564 -1.392 -8.004 1.00 0.00 C ATOM 731 OG1 THR A 45 24.301 -0.384 -8.990 1.00 0.00 O ATOM 732 CG2 THR A 45 23.266 -2.130 -7.726 1.00 0.00 C ATOM 0 H THR A 45 23.427 0.469 -6.490 1.00 0.00 H new ATOM 0 HA THR A 45 25.545 -1.542 -6.089 1.00 0.00 H new ATOM 0 HB THR A 45 25.319 -2.085 -8.374 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.608 0.225 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.894 -2.573 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.445 -2.917 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.526 -1.431 -7.335 1.00 0.00 H new ATOM 740 N GLY A 46 25.755 1.409 -7.542 1.00 0.00 N ATOM 741 CA GLY A 46 26.673 2.452 -7.930 1.00 0.00 C ATOM 742 C GLY A 46 26.520 2.833 -9.388 1.00 0.00 C ATOM 743 O GLY A 46 27.138 3.792 -9.851 1.00 0.00 O ATOM 0 H GLY A 46 24.771 1.636 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.507 3.331 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.695 2.121 -7.748 1.00 0.00 H new ATOM 747 N MET A 47 25.693 2.092 -10.121 1.00 0.00 N ATOM 748 CA MET A 47 25.485 2.382 -11.537 1.00 0.00 C ATOM 749 C MET A 47 24.372 3.416 -11.727 1.00 0.00 C ATOM 750 O MET A 47 23.218 3.189 -11.367 1.00 0.00 O ATOM 751 CB MET A 47 25.180 1.099 -12.325 1.00 0.00 C ATOM 752 CG MET A 47 23.822 0.488 -12.022 1.00 0.00 C ATOM 753 SD MET A 47 23.661 -1.215 -12.599 1.00 0.00 S ATOM 754 CE MET A 47 23.734 -1.003 -14.376 1.00 0.00 C ATOM 0 H MET A 47 25.163 1.297 -9.764 1.00 0.00 H new ATOM 0 HA MET A 47 26.410 2.805 -11.930 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.237 1.319 -13.391 1.00 0.00 H new ATOM 0 HB3 MET A 47 25.953 0.362 -12.110 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.650 0.518 -10.946 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.046 1.097 -12.486 1.00 0.00 H new ATOM 0 HE1 MET A 47 22.786 -1.309 -14.818 1.00 0.00 H new ATOM 0 HE2 MET A 47 23.922 0.045 -14.610 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.538 -1.616 -14.783 1.00 0.00 H new ATOM 764 N PRO A 48 24.723 4.591 -12.259 1.00 0.00 N ATOM 765 CA PRO A 48 23.756 5.653 -12.532 1.00 0.00 C ATOM 766 C PRO A 48 22.798 5.282 -13.661 1.00 0.00 C ATOM 767 O PRO A 48 23.111 4.430 -14.499 1.00 0.00 O ATOM 768 CB PRO A 48 24.626 6.851 -12.919 1.00 0.00 C ATOM 769 CG PRO A 48 25.930 6.279 -13.348 1.00 0.00 C ATOM 770 CD PRO A 48 26.095 4.977 -12.615 1.00 0.00 C ATOM 0 HA PRO A 48 23.114 5.852 -11.674 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.166 7.425 -13.724 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.755 7.530 -12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.947 6.120 -14.426 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.747 6.961 -13.113 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.571 4.224 -13.243 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.719 5.094 -11.729 1.00 0.00 H new ATOM 778 N ALA A 49 21.640 5.930 -13.681 1.00 0.00 N ATOM 779 CA ALA A 49 20.587 5.628 -14.653 1.00 0.00 C ATOM 780 C ALA A 49 21.024 5.919 -16.086 1.00 0.00 C ATOM 781 O ALA A 49 20.400 5.447 -17.036 1.00 0.00 O ATOM 782 CB ALA A 49 19.333 6.417 -14.332 1.00 0.00 C ATOM 0 H ALA A 49 21.401 6.677 -13.029 1.00 0.00 H new ATOM 0 HA ALA A 49 20.380 4.560 -14.579 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.559 6.183 -15.063 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.982 6.153 -13.334 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.555 7.484 -14.368 1.00 0.00 H new ATOM 788 N GLY A 50 22.090 6.703 -16.231 1.00 0.00 N ATOM 789 CA GLY A 50 22.622 7.015 -17.546 1.00 0.00 C ATOM 790 C GLY A 50 22.938 5.775 -18.364 1.00 0.00 C ATOM 791 O GLY A 50 22.830 5.788 -19.588 1.00 0.00 O ATOM 0 H GLY A 50 22.597 7.130 -15.456 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.902 7.628 -18.088 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.528 7.611 -17.434 1.00 0.00 H new ATOM 795 N LYS A 51 23.316 4.699 -17.689 1.00 0.00 N ATOM 796 CA LYS A 51 23.668 3.460 -18.370 1.00 0.00 C ATOM 797 C LYS A 51 22.926 2.284 -17.755 1.00 0.00 C ATOM 798 O LYS A 51 23.018 1.159 -18.230 1.00 0.00 O ATOM 799 CB LYS A 51 25.177 3.178 -18.327 1.00 0.00 C ATOM 800 CG LYS A 51 26.046 4.259 -17.683 1.00 0.00 C ATOM 801 CD LYS A 51 25.824 4.377 -16.175 1.00 0.00 C ATOM 802 CE LYS A 51 25.719 3.018 -15.500 1.00 0.00 C ATOM 803 NZ LYS A 51 26.927 2.191 -15.743 1.00 0.00 N ATOM 0 H LYS A 51 23.387 4.658 -16.672 1.00 0.00 H new ATOM 0 HA LYS A 51 23.375 3.584 -19.413 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.336 2.244 -17.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.526 3.021 -19.348 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.096 4.037 -17.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.832 5.219 -18.153 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.647 4.938 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.913 4.945 -15.987 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.580 3.154 -14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.838 2.494 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 26.827 1.279 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.035 2.026 -16.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.766 2.688 -15.381 1.00 0.00 H new ATOM 817 N GLN A 52 22.208 2.548 -16.684 1.00 0.00 N ATOM 818 CA GLN A 52 21.410 1.530 -16.033 1.00 0.00 C ATOM 819 C GLN A 52 20.031 1.484 -16.691 1.00 0.00 C ATOM 820 O GLN A 52 19.271 2.448 -16.634 1.00 0.00 O ATOM 821 CB GLN A 52 21.311 1.846 -14.534 1.00 0.00 C ATOM 822 CG GLN A 52 20.105 1.221 -13.852 1.00 0.00 C ATOM 823 CD GLN A 52 19.439 2.126 -12.832 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.225 2.087 -12.673 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.213 2.913 -12.099 1.00 0.00 N ATOM 0 H GLN A 52 22.161 3.466 -16.243 1.00 0.00 H new ATOM 0 HA GLN A 52 21.874 0.549 -16.141 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.217 1.498 -14.039 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.271 2.927 -14.402 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.373 0.945 -14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.416 0.300 -13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.221 2.924 -12.254 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.801 3.507 -11.380 1.00 0.00 H new ATOM 834 N LYS A 53 19.737 0.381 -17.359 1.00 0.00 N ATOM 835 CA LYS A 53 18.474 0.233 -18.064 1.00 0.00 C ATOM 836 C LYS A 53 17.541 -0.688 -17.304 1.00 0.00 C ATOM 837 O LYS A 53 17.962 -1.721 -16.780 1.00 0.00 O ATOM 838 CB LYS A 53 18.706 -0.319 -19.469 1.00 0.00 C ATOM 839 CG LYS A 53 19.622 0.529 -20.346 1.00 0.00 C ATOM 840 CD LYS A 53 18.889 1.685 -21.020 1.00 0.00 C ATOM 841 CE LYS A 53 18.636 2.853 -20.074 1.00 0.00 C ATOM 842 NZ LYS A 53 17.876 3.948 -20.734 1.00 0.00 N ATOM 0 H LYS A 53 20.357 -0.426 -17.428 1.00 0.00 H new ATOM 0 HA LYS A 53 18.014 1.218 -18.139 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.130 -1.320 -19.386 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.742 -0.422 -19.967 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.435 0.925 -19.738 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.074 -0.104 -21.110 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.473 2.033 -21.872 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.937 1.327 -21.411 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.083 2.501 -19.203 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.589 3.240 -19.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.725 4.723 -20.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.415 4.302 -21.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.956 3.586 -21.057 1.00 0.00 H new ATOM 856 N LEU A 54 16.275 -0.312 -17.259 1.00 0.00 N ATOM 857 CA LEU A 54 15.273 -1.082 -16.547 1.00 0.00 C ATOM 858 C LEU A 54 14.200 -1.557 -17.513 1.00 0.00 C ATOM 859 O LEU A 54 13.571 -0.756 -18.207 1.00 0.00 O ATOM 860 CB LEU A 54 14.649 -0.239 -15.436 1.00 0.00 C ATOM 861 CG LEU A 54 15.650 0.499 -14.551 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.933 1.308 -13.485 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.621 -0.484 -13.924 1.00 0.00 C ATOM 0 H LEU A 54 15.916 0.529 -17.711 1.00 0.00 H new ATOM 0 HA LEU A 54 15.751 -1.952 -16.096 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.978 0.491 -15.887 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.039 -0.887 -14.807 1.00 0.00 H new ATOM 0 HG LEU A 54 16.216 1.193 -15.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.666 1.825 -12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.280 2.039 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.338 0.641 -12.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.330 0.055 -13.295 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.070 -1.202 -13.316 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.162 -1.012 -14.709 1.00 0.00 H new ATOM 875 N GLN A 55 14.011 -2.858 -17.571 1.00 0.00 N ATOM 876 CA GLN A 55 13.036 -3.452 -18.465 1.00 0.00 C ATOM 877 C GLN A 55 11.884 -4.077 -17.687 1.00 0.00 C ATOM 878 O GLN A 55 12.080 -4.986 -16.890 1.00 0.00 O ATOM 879 CB GLN A 55 13.716 -4.505 -19.326 1.00 0.00 C ATOM 880 CG GLN A 55 12.753 -5.475 -19.985 1.00 0.00 C ATOM 881 CD GLN A 55 13.457 -6.664 -20.594 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.659 -7.683 -19.936 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.817 -6.548 -21.856 1.00 0.00 N ATOM 0 H GLN A 55 14.525 -3.532 -17.004 1.00 0.00 H new ATOM 0 HA GLN A 55 12.624 -2.668 -19.100 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.300 -4.006 -20.099 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.417 -5.067 -18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.031 -5.823 -19.247 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.191 -4.954 -20.760 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.629 -5.683 -22.363 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.284 -7.323 -22.326 1.00 0.00 H new ATOM 892 N TYR A 56 10.685 -3.598 -17.938 1.00 0.00 N ATOM 893 CA TYR A 56 9.500 -4.119 -17.278 1.00 0.00 C ATOM 894 C TYR A 56 8.660 -4.906 -18.249 1.00 0.00 C ATOM 895 O TYR A 56 8.077 -4.347 -19.174 1.00 0.00 O ATOM 896 CB TYR A 56 8.688 -2.991 -16.649 1.00 0.00 C ATOM 897 CG TYR A 56 7.306 -3.399 -16.154 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.138 -4.479 -15.295 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.169 -2.696 -16.544 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.885 -4.848 -14.843 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.914 -3.060 -16.096 1.00 0.00 C ATOM 902 CZ TYR A 56 4.776 -4.137 -15.246 1.00 0.00 C ATOM 903 OH TYR A 56 3.528 -4.497 -14.792 1.00 0.00 O ATOM 0 H TYR A 56 10.501 -2.843 -18.599 1.00 0.00 H new ATOM 0 HA TYR A 56 9.819 -4.788 -16.479 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.252 -2.579 -15.812 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.575 -2.191 -17.381 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.003 -5.041 -14.975 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.270 -1.851 -17.209 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.776 -5.691 -14.176 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.044 -2.503 -16.410 1.00 0.00 H new ATOM 0 HH TYR A 56 2.855 -3.893 -15.170 1.00 0.00 H new ATOM 913 N GLU A 57 8.634 -6.211 -18.037 1.00 0.00 N ATOM 914 CA GLU A 57 7.866 -7.125 -18.868 1.00 0.00 C ATOM 915 C GLU A 57 8.298 -7.035 -20.329 1.00 0.00 C ATOM 916 O GLU A 57 7.503 -7.258 -21.244 1.00 0.00 O ATOM 917 CB GLU A 57 6.380 -6.812 -18.723 1.00 0.00 C ATOM 918 CG GLU A 57 5.846 -7.103 -17.336 1.00 0.00 C ATOM 919 CD GLU A 57 5.761 -8.586 -17.044 1.00 0.00 C ATOM 920 OE1 GLU A 57 6.819 -9.229 -16.884 1.00 0.00 O ATOM 921 OE2 GLU A 57 4.631 -9.113 -16.977 1.00 0.00 O ATOM 0 H GLU A 57 9.146 -6.668 -17.282 1.00 0.00 H new ATOM 0 HA GLU A 57 8.053 -8.146 -18.535 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.211 -5.761 -18.958 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.819 -7.396 -19.452 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.489 -6.627 -16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.856 -6.659 -17.231 1.00 0.00 H new ATOM 928 N GLY A 58 9.569 -6.724 -20.535 1.00 0.00 N ATOM 929 CA GLY A 58 10.103 -6.644 -21.882 1.00 0.00 C ATOM 930 C GLY A 58 10.014 -5.244 -22.449 1.00 0.00 C ATOM 931 O GLY A 58 10.132 -5.042 -23.658 1.00 0.00 O ATOM 0 H GLY A 58 10.242 -6.525 -19.794 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.144 -6.967 -21.878 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.558 -7.332 -22.529 1.00 0.00 H new ATOM 935 N ILE A 59 9.816 -4.276 -21.565 1.00 0.00 N ATOM 936 CA ILE A 59 9.669 -2.890 -21.963 1.00 0.00 C ATOM 937 C ILE A 59 10.734 -2.062 -21.275 1.00 0.00 C ATOM 938 O ILE A 59 10.734 -1.945 -20.053 1.00 0.00 O ATOM 939 CB ILE A 59 8.280 -2.336 -21.575 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.181 -3.328 -21.967 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.046 -0.979 -22.230 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.792 -2.911 -21.527 1.00 0.00 C ATOM 0 H ILE A 59 9.754 -4.431 -20.559 1.00 0.00 H new ATOM 0 HA ILE A 59 9.773 -2.834 -23.047 1.00 0.00 H new ATOM 0 HB ILE A 59 8.248 -2.202 -20.494 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.186 -3.452 -23.050 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.412 -4.301 -21.534 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.063 -0.603 -21.946 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.812 -0.278 -21.899 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.095 -1.085 -23.314 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.069 -3.664 -21.841 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.768 -2.815 -20.441 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.539 -1.953 -21.981 1.00 0.00 H new ATOM 954 N PHE A 60 11.656 -1.516 -22.044 1.00 0.00 N ATOM 955 CA PHE A 60 12.695 -0.681 -21.472 1.00 0.00 C ATOM 956 C PHE A 60 12.130 0.674 -21.090 1.00 0.00 C ATOM 957 O PHE A 60 12.011 1.584 -21.915 1.00 0.00 O ATOM 958 CB PHE A 60 13.870 -0.538 -22.425 1.00 0.00 C ATOM 959 CG PHE A 60 14.722 -1.773 -22.482 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.389 -2.826 -23.318 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.856 -1.879 -21.694 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.175 -3.962 -23.370 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.645 -3.013 -21.739 1.00 0.00 C ATOM 964 CZ PHE A 60 16.304 -4.055 -22.580 1.00 0.00 C ATOM 0 H PHE A 60 11.708 -1.633 -23.056 1.00 0.00 H new ATOM 0 HA PHE A 60 13.066 -1.164 -20.568 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.497 -0.312 -23.424 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.483 0.308 -22.115 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.506 -2.759 -23.936 1.00 0.00 H new ATOM 0 HD2 PHE A 60 16.127 -1.066 -21.037 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.907 -4.776 -24.027 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.526 -3.084 -21.118 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.920 -4.941 -22.620 1.00 0.00 H new ATOM 974 N ILE A 61 11.763 0.772 -19.827 1.00 0.00 N ATOM 975 CA ILE A 61 11.126 1.966 -19.292 1.00 0.00 C ATOM 976 C ILE A 61 12.151 3.070 -19.040 1.00 0.00 C ATOM 977 O ILE A 61 13.357 2.832 -19.097 1.00 0.00 O ATOM 978 CB ILE A 61 10.374 1.654 -17.975 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.370 1.465 -16.813 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.489 0.421 -18.157 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.213 0.170 -16.042 1.00 0.00 C ATOM 0 H ILE A 61 11.897 0.029 -19.141 1.00 0.00 H new ATOM 0 HA ILE A 61 10.409 2.310 -20.037 1.00 0.00 H new ATOM 0 HB ILE A 61 9.732 2.499 -17.724 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.384 1.513 -17.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.260 2.299 -16.120 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.964 0.209 -17.226 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.763 0.608 -18.948 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.108 -0.435 -18.427 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.956 0.128 -15.246 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.214 0.124 -15.608 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.355 -0.674 -16.716 1.00 0.00 H new ATOM 993 N LYS A 62 11.668 4.275 -18.770 1.00 0.00 N ATOM 994 CA LYS A 62 12.541 5.398 -18.463 1.00 0.00 C ATOM 995 C LYS A 62 12.073 6.103 -17.191 1.00 0.00 C ATOM 996 O LYS A 62 10.947 5.891 -16.732 1.00 0.00 O ATOM 997 CB LYS A 62 12.605 6.384 -19.635 1.00 0.00 C ATOM 998 CG LYS A 62 11.257 6.943 -20.065 1.00 0.00 C ATOM 999 CD LYS A 62 10.776 6.317 -21.364 1.00 0.00 C ATOM 1000 CE LYS A 62 9.517 6.994 -21.884 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.776 8.359 -22.406 1.00 0.00 N ATOM 0 H LYS A 62 10.673 4.500 -18.758 1.00 0.00 H new ATOM 0 HA LYS A 62 13.546 5.011 -18.297 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.257 7.213 -19.360 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.066 5.885 -20.488 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.522 6.763 -19.281 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.334 8.023 -20.188 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.563 6.387 -22.115 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.580 5.257 -21.206 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.081 6.383 -22.675 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.781 7.050 -21.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.924 8.715 -22.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.021 8.992 -21.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.565 8.328 -23.083 1.00 0.00 H new ATOM 1015 N ASP A 63 12.933 6.956 -16.641 1.00 0.00 N ATOM 1016 CA ASP A 63 12.669 7.621 -15.362 1.00 0.00 C ATOM 1017 C ASP A 63 11.596 8.696 -15.491 1.00 0.00 C ATOM 1018 O ASP A 63 11.213 9.324 -14.506 1.00 0.00 O ATOM 1019 CB ASP A 63 13.953 8.244 -14.811 1.00 0.00 C ATOM 1020 CG ASP A 63 14.447 9.419 -15.636 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.961 9.195 -16.751 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.334 10.571 -15.166 1.00 0.00 O ATOM 0 H ASP A 63 13.827 7.206 -17.063 1.00 0.00 H new ATOM 0 HA ASP A 63 12.304 6.860 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.779 8.574 -13.787 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.732 7.482 -14.772 1.00 0.00 H new ATOM 1027 N SER A 64 11.114 8.911 -16.702 1.00 0.00 N ATOM 1028 CA SER A 64 10.063 9.887 -16.939 1.00 0.00 C ATOM 1029 C SER A 64 8.692 9.205 -16.917 1.00 0.00 C ATOM 1030 O SER A 64 7.682 9.789 -17.315 1.00 0.00 O ATOM 1031 CB SER A 64 10.299 10.595 -18.274 1.00 0.00 C ATOM 1032 OG SER A 64 9.446 11.721 -18.432 1.00 0.00 O ATOM 0 H SER A 64 11.434 8.423 -17.538 1.00 0.00 H new ATOM 0 HA SER A 64 10.084 10.633 -16.145 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.339 10.915 -18.337 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.131 9.894 -19.092 1.00 0.00 H new ATOM 0 HG SER A 64 8.541 11.490 -18.136 1.00 0.00 H new ATOM 1038 N ASN A 65 8.661 7.968 -16.432 1.00 0.00 N ATOM 1039 CA ASN A 65 7.438 7.216 -16.322 1.00 0.00 C ATOM 1040 C ASN A 65 7.267 6.790 -14.887 1.00 0.00 C ATOM 1041 O ASN A 65 8.219 6.815 -14.103 1.00 0.00 O ATOM 1042 CB ASN A 65 7.466 5.970 -17.203 1.00 0.00 C ATOM 1043 CG ASN A 65 7.636 6.272 -18.674 1.00 0.00 C ATOM 1044 OD1 ASN A 65 8.263 5.349 -19.375 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 7.216 7.313 -19.173 1.00 0.00 N flip ATOM 0 H ASN A 65 9.488 7.468 -16.107 1.00 0.00 H new ATOM 0 HA ASN A 65 6.612 7.848 -16.649 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.281 5.323 -16.877 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.540 5.413 -17.060 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.736 8.000 -18.591 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.347 7.490 -20.169 1.00 0.00 H new ATOM 1052 N SER A 66 6.085 6.355 -14.556 1.00 0.00 N ATOM 1053 CA SER A 66 5.768 6.011 -13.200 1.00 0.00 C ATOM 1054 C SER A 66 5.217 4.597 -13.150 1.00 0.00 C ATOM 1055 O SER A 66 4.880 4.024 -14.189 1.00 0.00 O ATOM 1056 CB SER A 66 4.767 7.018 -12.657 1.00 0.00 C ATOM 1057 OG SER A 66 5.341 8.311 -12.542 1.00 0.00 O ATOM 0 H SER A 66 5.317 6.229 -15.215 1.00 0.00 H new ATOM 0 HA SER A 66 6.663 6.043 -12.579 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.899 7.061 -13.315 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.411 6.689 -11.681 1.00 0.00 H new ATOM 0 HG SER A 66 4.672 8.936 -12.192 1.00 0.00 H new ATOM 1063 N LEU A 67 5.136 4.029 -11.961 1.00 0.00 N ATOM 1064 CA LEU A 67 4.678 2.658 -11.813 1.00 0.00 C ATOM 1065 C LEU A 67 3.225 2.531 -12.263 1.00 0.00 C ATOM 1066 O LEU A 67 2.877 1.624 -13.014 1.00 0.00 O ATOM 1067 CB LEU A 67 4.826 2.212 -10.362 1.00 0.00 C ATOM 1068 CG LEU A 67 6.155 2.595 -9.701 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.116 2.297 -8.214 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.318 1.865 -10.356 1.00 0.00 C ATOM 0 H LEU A 67 5.380 4.493 -11.086 1.00 0.00 H new ATOM 0 HA LEU A 67 5.291 2.013 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.011 2.642 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.713 1.129 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 67 6.303 3.666 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.068 2.575 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.313 2.869 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.939 1.232 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.249 2.154 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.175 0.789 -10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.364 2.128 -11.413 1.00 0.00 H new ATOM 1082 N ALA A 68 2.390 3.460 -11.808 1.00 0.00 N ATOM 1083 CA ALA A 68 0.986 3.515 -12.212 1.00 0.00 C ATOM 1084 C ALA A 68 0.846 3.693 -13.721 1.00 0.00 C ATOM 1085 O ALA A 68 -0.116 3.225 -14.324 1.00 0.00 O ATOM 1086 CB ALA A 68 0.270 4.644 -11.483 1.00 0.00 C ATOM 0 H ALA A 68 2.663 4.192 -11.153 1.00 0.00 H new ATOM 0 HA ALA A 68 0.525 2.565 -11.941 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.774 4.673 -11.794 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.324 4.475 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.747 5.594 -11.725 1.00 0.00 H new ATOM 1092 N TYR A 69 1.823 4.358 -14.323 1.00 0.00 N ATOM 1093 CA TYR A 69 1.817 4.613 -15.758 1.00 0.00 C ATOM 1094 C TYR A 69 1.867 3.300 -16.540 1.00 0.00 C ATOM 1095 O TYR A 69 1.178 3.139 -17.544 1.00 0.00 O ATOM 1096 CB TYR A 69 3.002 5.516 -16.125 1.00 0.00 C ATOM 1097 CG TYR A 69 3.192 5.741 -17.608 1.00 0.00 C ATOM 1098 CD1 TYR A 69 3.992 4.890 -18.357 1.00 0.00 C ATOM 1099 CD2 TYR A 69 2.587 6.811 -18.254 1.00 0.00 C ATOM 1100 CE1 TYR A 69 4.181 5.092 -19.707 1.00 0.00 C ATOM 1101 CE2 TYR A 69 2.774 7.023 -19.606 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.572 6.159 -20.328 1.00 0.00 C ATOM 1103 OH TYR A 69 3.767 6.367 -21.675 1.00 0.00 O ATOM 0 H TYR A 69 2.636 4.734 -13.835 1.00 0.00 H new ATOM 0 HA TYR A 69 0.891 5.122 -16.026 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.868 6.483 -15.639 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.914 5.078 -15.718 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.475 4.054 -17.873 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.961 7.487 -17.691 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.804 4.417 -20.275 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.298 7.860 -20.095 1.00 0.00 H new ATOM 0 HH TYR A 69 3.267 7.161 -21.959 1.00 0.00 H new ATOM 1113 N TYR A 70 2.681 2.362 -16.069 1.00 0.00 N ATOM 1114 CA TYR A 70 2.782 1.049 -16.704 1.00 0.00 C ATOM 1115 C TYR A 70 1.921 0.020 -15.985 1.00 0.00 C ATOM 1116 O TYR A 70 1.950 -1.165 -16.320 1.00 0.00 O ATOM 1117 CB TYR A 70 4.235 0.565 -16.737 1.00 0.00 C ATOM 1118 CG TYR A 70 5.060 1.203 -17.826 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.861 0.864 -19.159 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.036 2.138 -17.525 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.613 1.443 -20.161 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.791 2.722 -18.520 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.578 2.372 -19.835 1.00 0.00 C ATOM 1124 OH TYR A 70 7.327 2.958 -20.830 1.00 0.00 O ATOM 0 H TYR A 70 3.280 2.484 -15.252 1.00 0.00 H new ATOM 0 HA TYR A 70 2.420 1.157 -17.726 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.700 0.771 -15.773 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.246 -0.517 -16.871 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.106 0.136 -19.415 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.208 2.414 -16.495 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.447 1.170 -21.193 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.547 3.451 -18.269 1.00 0.00 H new ATOM 0 HH TYR A 70 7.719 3.792 -20.496 1.00 0.00 H new ATOM 1134 N ASN A 71 1.158 0.485 -15.000 1.00 0.00 N ATOM 1135 CA ASN A 71 0.310 -0.382 -14.183 1.00 0.00 C ATOM 1136 C ASN A 71 1.118 -1.504 -13.543 1.00 0.00 C ATOM 1137 O ASN A 71 0.718 -2.669 -13.589 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.842 -0.984 -14.999 1.00 0.00 C ATOM 1139 CG ASN A 71 -2.043 -0.060 -15.125 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -3.184 -0.518 -15.155 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.810 1.241 -15.209 1.00 0.00 N ATOM 0 H ASN A 71 1.109 1.471 -14.745 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.111 0.246 -13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.479 -1.233 -15.996 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.159 -1.917 -14.533 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.588 1.894 -15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.852 1.590 -15.181 1.00 0.00 H new ATOM 1148 N MET A 72 2.261 -1.151 -12.964 1.00 0.00 N ATOM 1149 CA MET A 72 3.079 -2.115 -12.235 1.00 0.00 C ATOM 1150 C MET A 72 2.356 -2.604 -10.988 1.00 0.00 C ATOM 1151 O MET A 72 2.563 -2.086 -9.891 1.00 0.00 O ATOM 1152 CB MET A 72 4.425 -1.509 -11.841 1.00 0.00 C ATOM 1153 CG MET A 72 5.308 -1.168 -13.024 1.00 0.00 C ATOM 1154 SD MET A 72 6.946 -0.623 -12.520 1.00 0.00 S ATOM 1155 CE MET A 72 7.753 -0.490 -14.105 1.00 0.00 C ATOM 0 H MET A 72 2.642 -0.205 -12.985 1.00 0.00 H new ATOM 0 HA MET A 72 3.257 -2.961 -12.899 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.250 -0.605 -11.257 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.953 -2.209 -11.194 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.401 -2.042 -13.669 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.833 -0.385 -13.615 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.490 0.312 -14.072 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.251 -1.431 -14.340 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.012 -0.270 -14.873 1.00 0.00 H new ATOM 1165 N ALA A 73 1.479 -3.577 -11.173 1.00 0.00 N ATOM 1166 CA ALA A 73 0.745 -4.167 -10.072 1.00 0.00 C ATOM 1167 C ALA A 73 1.674 -4.981 -9.181 1.00 0.00 C ATOM 1168 O ALA A 73 2.847 -5.188 -9.513 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.393 -5.034 -10.600 1.00 0.00 C ATOM 0 H ALA A 73 1.259 -3.976 -12.085 1.00 0.00 H new ATOM 0 HA ALA A 73 0.318 -3.364 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.936 -5.471 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.072 -4.421 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.015 -5.830 -11.223 1.00 0.00 H new ATOM 1175 N ASN A 74 1.152 -5.430 -8.049 1.00 0.00 N ATOM 1176 CA ASN A 74 1.924 -6.249 -7.125 1.00 0.00 C ATOM 1177 C ASN A 74 2.467 -7.465 -7.861 1.00 0.00 C ATOM 1178 O ASN A 74 1.701 -8.307 -8.342 1.00 0.00 O ATOM 1179 CB ASN A 74 1.054 -6.685 -5.941 1.00 0.00 C ATOM 1180 CG ASN A 74 1.859 -7.303 -4.808 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.911 -7.901 -5.026 1.00 0.00 O ATOM 1182 ND2 ASN A 74 1.369 -7.160 -3.588 1.00 0.00 N ATOM 0 H ASN A 74 0.196 -5.241 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 74 2.757 -5.663 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.507 -5.822 -5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.313 -7.405 -6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.867 -7.552 -2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.493 -6.657 -3.446 1.00 0.00 H new ATOM 1189 N GLY A 75 3.785 -7.542 -7.954 1.00 0.00 N ATOM 1190 CA GLY A 75 4.409 -8.601 -8.716 1.00 0.00 C ATOM 1191 C GLY A 75 5.050 -8.085 -9.988 1.00 0.00 C ATOM 1192 O GLY A 75 5.173 -8.820 -10.964 1.00 0.00 O ATOM 0 H GLY A 75 4.434 -6.889 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.165 -9.092 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.663 -9.355 -8.966 1.00 0.00 H new ATOM 1196 N ALA A 76 5.459 -6.823 -9.977 1.00 0.00 N ATOM 1197 CA ALA A 76 6.121 -6.234 -11.132 1.00 0.00 C ATOM 1198 C ALA A 76 7.570 -6.689 -11.179 1.00 0.00 C ATOM 1199 O ALA A 76 8.358 -6.388 -10.278 1.00 0.00 O ATOM 1200 CB ALA A 76 6.031 -4.720 -11.071 1.00 0.00 C ATOM 0 H ALA A 76 5.344 -6.191 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 76 5.622 -6.567 -12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.530 -4.291 -11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.984 -4.418 -11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.515 -4.363 -10.162 1.00 0.00 H new ATOM 1206 N VAL A 77 7.909 -7.440 -12.210 1.00 0.00 N ATOM 1207 CA VAL A 77 9.263 -7.952 -12.373 1.00 0.00 C ATOM 1208 C VAL A 77 10.042 -7.109 -13.380 1.00 0.00 C ATOM 1209 O VAL A 77 9.821 -7.200 -14.589 1.00 0.00 O ATOM 1210 CB VAL A 77 9.263 -9.425 -12.837 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.682 -9.970 -12.936 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.422 -10.286 -11.907 1.00 0.00 C ATOM 0 H VAL A 77 7.264 -7.712 -12.952 1.00 0.00 H new ATOM 0 HA VAL A 77 9.745 -7.894 -11.397 1.00 0.00 H new ATOM 0 HB VAL A 77 8.818 -9.460 -13.832 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.651 -11.009 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.249 -9.379 -13.655 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.163 -9.913 -11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.437 -11.319 -12.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.830 -10.237 -10.897 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.395 -9.920 -11.902 1.00 0.00 H new ATOM 1222 N ILE A 78 10.938 -6.273 -12.877 1.00 0.00 N ATOM 1223 CA ILE A 78 11.796 -5.471 -13.733 1.00 0.00 C ATOM 1224 C ILE A 78 13.112 -6.199 -13.941 1.00 0.00 C ATOM 1225 O ILE A 78 13.545 -6.970 -13.092 1.00 0.00 O ATOM 1226 CB ILE A 78 12.091 -4.075 -13.134 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.837 -3.475 -12.488 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.626 -3.134 -14.203 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.607 -3.527 -13.360 1.00 0.00 C ATOM 0 H ILE A 78 11.089 -6.133 -11.878 1.00 0.00 H new ATOM 0 HA ILE A 78 11.271 -5.326 -14.677 1.00 0.00 H new ATOM 0 HB ILE A 78 12.850 -4.200 -12.362 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.632 -4.005 -11.558 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.039 -2.437 -12.225 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.827 -2.158 -13.761 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.548 -3.541 -14.618 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.887 -3.028 -14.997 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.765 -3.083 -12.829 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.789 -2.972 -14.280 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.376 -4.564 -13.602 1.00 0.00 H new ATOM 1241 N HIS A 79 13.729 -5.970 -15.077 1.00 0.00 N ATOM 1242 CA HIS A 79 15.006 -6.583 -15.396 1.00 0.00 C ATOM 1243 C HIS A 79 16.040 -5.492 -15.541 1.00 0.00 C ATOM 1244 O HIS A 79 15.894 -4.597 -16.374 1.00 0.00 O ATOM 1245 CB HIS A 79 14.933 -7.395 -16.698 1.00 0.00 C ATOM 1246 CG HIS A 79 13.911 -8.489 -16.693 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.185 -9.790 -17.058 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.598 -8.457 -16.387 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.078 -10.508 -16.977 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.099 -9.721 -16.572 1.00 0.00 N ATOM 0 H HIS A 79 13.365 -5.357 -15.806 1.00 0.00 H new ATOM 0 HA HIS A 79 15.275 -7.268 -14.592 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.716 -6.716 -17.523 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.912 -7.831 -16.894 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.041 -7.593 -16.056 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.990 -11.560 -17.204 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.131 -10.006 -16.421 1.00 0.00 H new ATOM 1259 N LEU A 80 17.059 -5.548 -14.714 1.00 0.00 N ATOM 1260 CA LEU A 80 18.134 -4.582 -14.791 1.00 0.00 C ATOM 1261 C LEU A 80 19.162 -5.039 -15.814 1.00 0.00 C ATOM 1262 O LEU A 80 19.558 -6.204 -15.840 1.00 0.00 O ATOM 1263 CB LEU A 80 18.803 -4.385 -13.430 1.00 0.00 C ATOM 1264 CG LEU A 80 20.078 -3.535 -13.452 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.779 -2.128 -13.940 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.723 -3.495 -12.078 1.00 0.00 C ATOM 0 H LEU A 80 17.167 -6.250 -13.982 1.00 0.00 H new ATOM 0 HA LEU A 80 17.711 -3.626 -15.099 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.086 -3.920 -12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.044 -5.364 -13.015 1.00 0.00 H new ATOM 0 HG LEU A 80 20.780 -3.997 -14.146 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.698 -1.542 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.369 -2.172 -14.949 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.055 -1.658 -13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.626 -2.886 -12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.025 -3.063 -11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.981 -4.507 -11.768 1.00 0.00 H new ATOM 1278 N ALA A 81 19.585 -4.122 -16.656 1.00 0.00 N ATOM 1279 CA ALA A 81 20.543 -4.427 -17.691 1.00 0.00 C ATOM 1280 C ALA A 81 21.427 -3.227 -17.945 1.00 0.00 C ATOM 1281 O ALA A 81 20.974 -2.082 -17.882 1.00 0.00 O ATOM 1282 CB ALA A 81 19.819 -4.847 -18.957 1.00 0.00 C ATOM 0 H ALA A 81 19.276 -3.150 -16.642 1.00 0.00 H new ATOM 0 HA ALA A 81 21.175 -5.254 -17.367 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.548 -5.076 -19.734 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.215 -5.731 -18.754 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.173 -4.036 -19.293 1.00 0.00 H new ATOM 1288 N LEU A 82 22.693 -3.472 -18.207 1.00 0.00 N ATOM 1289 CA LEU A 82 23.604 -2.392 -18.500 1.00 0.00 C ATOM 1290 C LEU A 82 23.471 -1.975 -19.958 1.00 0.00 C ATOM 1291 O LEU A 82 23.470 -2.817 -20.857 1.00 0.00 O ATOM 1292 CB LEU A 82 25.041 -2.801 -18.186 1.00 0.00 C ATOM 1293 CG LEU A 82 26.075 -1.691 -18.362 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.717 -0.484 -17.506 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.454 -2.200 -18.004 1.00 0.00 C ATOM 0 H LEU A 82 23.110 -4.403 -18.223 1.00 0.00 H new ATOM 0 HA LEU A 82 23.349 -1.540 -17.870 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.085 -3.160 -17.158 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.314 -3.638 -18.828 1.00 0.00 H new ATOM 0 HG LEU A 82 26.076 -1.382 -19.407 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.466 0.296 -17.645 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.739 -0.105 -17.802 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.690 -0.777 -16.457 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.182 -1.399 -18.134 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.461 -2.532 -16.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.714 -3.035 -18.654 1.00 0.00 H new