USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1106 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 65 HIS : no HD1:sc=-0.00955 K(o=-0.16,f=-1.2) USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -0.151 F(o=-2.2,f=-0.16) USER MOD Set 2.1: A 21 SER OG : rot -4:sc= -0.622 USER MOD Set 2.2: A 22 GLN : amide:sc= -0.416! C(o=-1!,f=-6.3!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.2: A 31 HIS : no HD1:sc= -0.0174 X(o=1.4,f=1.3) USER MOD Set 3.3: A 128 THR OG1 : rot -124:sc= 0.365 USER MOD Set 4.1: A 8 SER OG : rot 49:sc= -0.427 USER MOD Set 4.2: A 12 GLN : amide:sc= -0.574 K(o=-0.72,f=-1.9) USER MOD Set 4.3: A 35 ASN : amide:sc= 0.277 K(o=-0.72,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0302 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.428 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 19 HIS : +bothHN:sc= -2.36! C(o=-2.4!,f=-7.3!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.535 USER MOD Single : A 24 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 40 SER OG : rot -52:sc= 0.00127 USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -113:sc= -1.27 (180deg=-2.65!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.16) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 128:sc= 1.44 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.157 K(o=-0.16,f=-3.9!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0833 USER MOD Single : A 82 SER OG : rot 49:sc= 0.456 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00151 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -0.526 (180deg=-1.1) USER MOD Single : A 99 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.24) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 160:sc= -0.0351 (180deg=-0.29) USER MOD Single : A 129 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 131 TYR OH : rot 165:sc= 0.18 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 78:sc= 0.195 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.202 11.245 -12.939 1.00 0.00 N ATOM 2 CA GLY A 1 18.336 10.635 -11.947 1.00 0.00 C ATOM 3 C GLY A 1 18.918 9.357 -11.377 1.00 0.00 C ATOM 4 O GLY A 1 19.699 8.673 -12.039 1.00 0.00 O ATOM 0 H1 GLY A 1 19.550 12.157 -12.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.009 10.617 -13.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.668 11.399 -13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.161 11.343 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.367 10.420 -12.398 1.00 0.00 H new ATOM 8 N SER A 2 18.539 9.034 -10.144 1.00 0.00 N ATOM 9 CA SER A 2 19.033 7.832 -9.483 1.00 0.00 C ATOM 10 C SER A 2 18.024 7.323 -8.457 1.00 0.00 C ATOM 11 O SER A 2 17.257 8.098 -7.887 1.00 0.00 O ATOM 12 CB SER A 2 20.373 8.113 -8.801 1.00 0.00 C ATOM 13 OG SER A 2 21.433 8.114 -9.742 1.00 0.00 O ATOM 0 H SER A 2 17.892 9.588 -9.583 1.00 0.00 H new ATOM 0 HA SER A 2 19.174 7.062 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.332 9.077 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.561 7.359 -8.037 1.00 0.00 H new ATOM 0 HG SER A 2 21.065 8.145 -10.650 1.00 0.00 H new ATOM 19 N SER A 3 18.033 6.014 -8.227 1.00 0.00 N ATOM 20 CA SER A 3 17.118 5.399 -7.273 1.00 0.00 C ATOM 21 C SER A 3 17.299 6.000 -5.882 1.00 0.00 C ATOM 22 O SER A 3 18.361 5.876 -5.273 1.00 0.00 O ATOM 23 CB SER A 3 17.341 3.886 -7.221 1.00 0.00 C ATOM 24 OG SER A 3 16.975 3.274 -8.445 1.00 0.00 O ATOM 0 H SER A 3 18.664 5.359 -8.688 1.00 0.00 H new ATOM 0 HA SER A 3 16.099 5.597 -7.606 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.389 3.677 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.756 3.457 -6.407 1.00 0.00 H new ATOM 0 HG SER A 3 17.129 2.308 -8.386 1.00 0.00 H new ATOM 30 N GLY A 4 16.252 6.652 -5.385 1.00 0.00 N ATOM 31 CA GLY A 4 16.314 7.262 -4.070 1.00 0.00 C ATOM 32 C GLY A 4 16.003 6.279 -2.959 1.00 0.00 C ATOM 33 O GLY A 4 15.039 5.519 -3.045 1.00 0.00 O ATOM 0 H GLY A 4 15.362 6.768 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.309 7.680 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.609 8.092 -4.024 1.00 0.00 H new ATOM 37 N SER A 5 16.822 6.293 -1.912 1.00 0.00 N ATOM 38 CA SER A 5 16.633 5.392 -0.781 1.00 0.00 C ATOM 39 C SER A 5 15.957 6.113 0.381 1.00 0.00 C ATOM 40 O SER A 5 14.953 5.645 0.917 1.00 0.00 O ATOM 41 CB SER A 5 17.977 4.819 -0.328 1.00 0.00 C ATOM 42 OG SER A 5 17.799 3.619 0.405 1.00 0.00 O ATOM 0 H SER A 5 17.623 6.918 -1.824 1.00 0.00 H new ATOM 0 HA SER A 5 15.988 4.575 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.606 4.628 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.499 5.551 0.288 1.00 0.00 H new ATOM 0 HG SER A 5 18.673 3.272 0.682 1.00 0.00 H new ATOM 48 N SER A 6 16.516 7.257 0.765 1.00 0.00 N ATOM 49 CA SER A 6 15.971 8.042 1.866 1.00 0.00 C ATOM 50 C SER A 6 15.371 9.349 1.356 1.00 0.00 C ATOM 51 O SER A 6 15.766 9.859 0.309 1.00 0.00 O ATOM 52 CB SER A 6 17.060 8.336 2.899 1.00 0.00 C ATOM 53 OG SER A 6 16.517 8.964 4.048 1.00 0.00 O ATOM 0 H SER A 6 17.346 7.660 0.330 1.00 0.00 H new ATOM 0 HA SER A 6 15.180 7.459 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.553 7.407 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.822 8.977 2.456 1.00 0.00 H new ATOM 0 HG SER A 6 17.233 9.140 4.694 1.00 0.00 H new ATOM 59 N GLY A 7 14.413 9.886 2.106 1.00 0.00 N ATOM 60 CA GLY A 7 13.774 11.129 1.715 1.00 0.00 C ATOM 61 C GLY A 7 12.643 10.913 0.729 1.00 0.00 C ATOM 62 O GLY A 7 12.701 10.009 -0.105 1.00 0.00 O ATOM 0 H GLY A 7 14.068 9.482 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.388 11.630 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.517 11.792 1.272 1.00 0.00 H new ATOM 66 N SER A 8 11.610 11.744 0.824 1.00 0.00 N ATOM 67 CA SER A 8 10.458 11.637 -0.063 1.00 0.00 C ATOM 68 C SER A 8 10.072 13.004 -0.620 1.00 0.00 C ATOM 69 O SER A 8 9.160 13.669 -0.127 1.00 0.00 O ATOM 70 CB SER A 8 9.270 11.023 0.681 1.00 0.00 C ATOM 71 OG SER A 8 8.906 11.813 1.800 1.00 0.00 O ATOM 0 H SER A 8 11.547 12.499 1.507 1.00 0.00 H new ATOM 0 HA SER A 8 10.731 10.989 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.420 10.932 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.524 10.016 1.010 1.00 0.00 H new ATOM 0 HG SER A 8 8.832 12.751 1.528 1.00 0.00 H new ATOM 77 N PRO A 9 10.782 13.435 -1.673 1.00 0.00 N ATOM 78 CA PRO A 9 10.533 14.726 -2.321 1.00 0.00 C ATOM 79 C PRO A 9 9.211 14.748 -3.080 1.00 0.00 C ATOM 80 O PRO A 9 8.616 15.807 -3.281 1.00 0.00 O ATOM 81 CB PRO A 9 11.709 14.869 -3.291 1.00 0.00 C ATOM 82 CG PRO A 9 12.137 13.471 -3.575 1.00 0.00 C ATOM 83 CD PRO A 9 11.883 12.695 -2.312 1.00 0.00 C ATOM 0 HA PRO A 9 10.459 15.538 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.409 15.384 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.519 15.449 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.575 13.053 -4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.191 13.434 -3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.604 11.663 -2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.767 12.662 -1.676 1.00 0.00 H new ATOM 91 N LEU A 10 8.755 13.572 -3.499 1.00 0.00 N ATOM 92 CA LEU A 10 7.502 13.456 -4.236 1.00 0.00 C ATOM 93 C LEU A 10 6.337 13.183 -3.290 1.00 0.00 C ATOM 94 O LEU A 10 5.262 13.765 -3.428 1.00 0.00 O ATOM 95 CB LEU A 10 7.601 12.340 -5.277 1.00 0.00 C ATOM 96 CG LEU A 10 8.575 12.582 -6.430 1.00 0.00 C ATOM 97 CD1 LEU A 10 8.614 11.378 -7.358 1.00 0.00 C ATOM 98 CD2 LEU A 10 8.190 13.838 -7.199 1.00 0.00 C ATOM 0 H LEU A 10 9.235 12.686 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 10 7.319 14.403 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.893 11.421 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.609 12.172 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 10 9.572 12.726 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.313 11.569 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.938 10.499 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.619 11.202 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.894 13.995 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.184 13.723 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.215 14.697 -6.529 1.00 0.00 H new ATOM 110 N GLY A 11 6.560 12.294 -2.327 1.00 0.00 N ATOM 111 CA GLY A 11 5.520 11.960 -1.370 1.00 0.00 C ATOM 112 C GLY A 11 5.706 10.580 -0.770 1.00 0.00 C ATOM 113 O GLY A 11 6.662 9.878 -1.097 1.00 0.00 O ATOM 0 H GLY A 11 7.442 11.799 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.513 12.702 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.548 12.011 -1.861 1.00 0.00 H new ATOM 117 N GLN A 12 4.789 10.192 0.111 1.00 0.00 N ATOM 118 CA GLN A 12 4.858 8.888 0.759 1.00 0.00 C ATOM 119 C GLN A 12 3.470 8.268 0.885 1.00 0.00 C ATOM 120 O GLN A 12 2.460 8.971 0.842 1.00 0.00 O ATOM 121 CB GLN A 12 5.500 9.015 2.142 1.00 0.00 C ATOM 122 CG GLN A 12 6.842 9.729 2.127 1.00 0.00 C ATOM 123 CD GLN A 12 7.199 10.329 3.472 1.00 0.00 C ATOM 124 OE1 GLN A 12 6.486 11.190 3.990 1.00 0.00 O ATOM 125 NE2 GLN A 12 8.308 9.878 4.046 1.00 0.00 N ATOM 0 H GLN A 12 3.991 10.762 0.392 1.00 0.00 H new ATOM 0 HA GLN A 12 5.473 8.235 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.819 9.553 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.633 8.019 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.620 9.026 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.821 10.518 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.869 9.164 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.599 10.246 4.952 1.00 0.00 H new ATOM 134 N ILE A 13 3.429 6.949 1.039 1.00 0.00 N ATOM 135 CA ILE A 13 2.164 6.236 1.171 1.00 0.00 C ATOM 136 C ILE A 13 2.330 4.976 2.014 1.00 0.00 C ATOM 137 O ILE A 13 3.315 4.251 1.878 1.00 0.00 O ATOM 138 CB ILE A 13 1.591 5.847 -0.205 1.00 0.00 C ATOM 139 CG1 ILE A 13 0.151 5.351 -0.059 1.00 0.00 C ATOM 140 CG2 ILE A 13 2.460 4.784 -0.860 1.00 0.00 C ATOM 141 CD1 ILE A 13 -0.523 5.055 -1.381 1.00 0.00 C ATOM 0 H ILE A 13 4.256 6.353 1.075 1.00 0.00 H new ATOM 0 HA ILE A 13 1.469 6.914 1.667 1.00 0.00 H new ATOM 0 HB ILE A 13 1.589 6.730 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.146 4.448 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.431 6.101 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.042 4.520 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.470 5.171 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.492 3.898 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.541 4.708 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.550 5.961 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.036 4.282 -1.909 1.00 0.00 H new ATOM 153 N GLN A 14 1.358 4.722 2.885 1.00 0.00 N ATOM 154 CA GLN A 14 1.395 3.548 3.750 1.00 0.00 C ATOM 155 C GLN A 14 0.367 2.513 3.307 1.00 0.00 C ATOM 156 O GLN A 14 -0.840 2.735 3.415 1.00 0.00 O ATOM 157 CB GLN A 14 1.138 3.952 5.203 1.00 0.00 C ATOM 158 CG GLN A 14 1.674 2.952 6.215 1.00 0.00 C ATOM 159 CD GLN A 14 1.435 3.387 7.647 1.00 0.00 C ATOM 160 OE1 GLN A 14 0.473 4.099 7.940 1.00 0.00 O ATOM 161 NE2 GLN A 14 2.311 2.962 8.550 1.00 0.00 N ATOM 0 H GLN A 14 0.536 5.313 3.010 1.00 0.00 H new ATOM 0 HA GLN A 14 2.387 3.102 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.595 4.924 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.065 4.070 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.201 1.984 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.743 2.816 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.094 2.374 8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.201 3.224 9.530 1.00 0.00 H new ATOM 170 N LEU A 15 0.852 1.381 2.808 1.00 0.00 N ATOM 171 CA LEU A 15 -0.025 0.310 2.349 1.00 0.00 C ATOM 172 C LEU A 15 0.354 -1.020 2.993 1.00 0.00 C ATOM 173 O LEU A 15 1.533 -1.364 3.085 1.00 0.00 O ATOM 174 CB LEU A 15 0.041 0.188 0.825 1.00 0.00 C ATOM 175 CG LEU A 15 -0.221 1.472 0.038 1.00 0.00 C ATOM 176 CD1 LEU A 15 0.235 1.316 -1.405 1.00 0.00 C ATOM 177 CD2 LEU A 15 -1.696 1.842 0.095 1.00 0.00 C ATOM 0 H LEU A 15 1.848 1.181 2.711 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.044 0.558 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.028 -0.187 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.683 -0.563 0.509 1.00 0.00 H new ATOM 0 HG LEU A 15 0.353 2.278 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.041 2.240 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.303 1.099 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.311 0.497 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.863 2.759 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.290 1.036 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.992 1.997 1.132 1.00 0.00 H new ATOM 189 N THR A 16 -0.653 -1.765 3.438 1.00 0.00 N ATOM 190 CA THR A 16 -0.425 -3.057 4.072 1.00 0.00 C ATOM 191 C THR A 16 -0.726 -4.202 3.112 1.00 0.00 C ATOM 192 O THR A 16 -1.884 -4.457 2.779 1.00 0.00 O ATOM 193 CB THR A 16 -1.289 -3.222 5.337 1.00 0.00 C ATOM 194 OG1 THR A 16 -1.010 -2.164 6.262 1.00 0.00 O ATOM 195 CG2 THR A 16 -1.026 -4.565 6.001 1.00 0.00 C ATOM 0 H THR A 16 -1.634 -1.495 3.371 1.00 0.00 H new ATOM 0 HA THR A 16 0.628 -3.090 4.353 1.00 0.00 H new ATOM 0 HB THR A 16 -2.338 -3.180 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.564 -2.275 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.647 -4.658 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.267 -5.368 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.025 -4.632 6.283 1.00 0.00 H new ATOM 203 N ILE A 17 0.322 -4.890 2.672 1.00 0.00 N ATOM 204 CA ILE A 17 0.168 -6.009 1.751 1.00 0.00 C ATOM 205 C ILE A 17 0.204 -7.341 2.494 1.00 0.00 C ATOM 206 O ILE A 17 1.140 -7.620 3.243 1.00 0.00 O ATOM 207 CB ILE A 17 1.266 -6.006 0.672 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.578 -4.573 0.235 1.00 0.00 C ATOM 209 CG2 ILE A 17 0.840 -6.849 -0.521 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.680 -4.483 -0.798 1.00 0.00 C ATOM 0 H ILE A 17 1.287 -4.692 2.938 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.803 -5.890 1.269 1.00 0.00 H new ATOM 0 HB ILE A 17 2.171 -6.442 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.673 -4.120 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.863 -3.989 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.627 -6.837 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.664 -7.875 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.076 -6.440 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.848 -3.439 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.598 -4.906 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.390 -5.039 -1.689 1.00 0.00 H new ATOM 222 N ARG A 18 -0.820 -8.160 2.279 1.00 0.00 N ATOM 223 CA ARG A 18 -0.905 -9.463 2.927 1.00 0.00 C ATOM 224 C ARG A 18 -1.766 -10.422 2.110 1.00 0.00 C ATOM 225 O ARG A 18 -2.976 -10.232 1.982 1.00 0.00 O ATOM 226 CB ARG A 18 -1.482 -9.319 4.336 1.00 0.00 C ATOM 227 CG ARG A 18 -1.798 -10.647 5.005 1.00 0.00 C ATOM 228 CD ARG A 18 -2.960 -10.519 5.977 1.00 0.00 C ATOM 229 NE ARG A 18 -3.122 -11.716 6.797 1.00 0.00 N ATOM 230 CZ ARG A 18 -4.047 -11.840 7.743 1.00 0.00 C ATOM 231 NH1 ARG A 18 -4.887 -10.844 7.987 1.00 0.00 N ATOM 232 NH2 ARG A 18 -4.132 -12.961 8.447 1.00 0.00 N ATOM 0 H ARG A 18 -1.602 -7.944 1.661 1.00 0.00 H new ATOM 0 HA ARG A 18 0.103 -9.873 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.773 -8.770 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.392 -8.721 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.038 -11.390 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.917 -11.007 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.799 -9.656 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.879 -10.333 5.421 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.490 -12.500 6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.824 -9.980 7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.596 -10.941 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.487 -13.729 8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.842 -13.055 9.173 1.00 0.00 H new ATOM 246 N HIS A 19 -1.133 -11.452 1.557 1.00 0.00 N ATOM 247 CA HIS A 19 -1.840 -12.441 0.752 1.00 0.00 C ATOM 248 C HIS A 19 -2.058 -13.729 1.540 1.00 0.00 C ATOM 249 O HIS A 19 -1.139 -14.533 1.701 1.00 0.00 O ATOM 250 CB HIS A 19 -1.061 -12.739 -0.529 1.00 0.00 C ATOM 251 CG HIS A 19 -1.662 -13.835 -1.355 1.00 0.00 C ATOM 252 ND1 HIS A 19 -1.567 -15.169 -1.020 1.00 0.00 N ATOM 253 CD2 HIS A 19 -2.370 -13.787 -2.508 1.00 0.00 C ATOM 254 CE1 HIS A 19 -2.190 -15.895 -1.931 1.00 0.00 C ATOM 255 NE2 HIS A 19 -2.686 -15.080 -2.845 1.00 0.00 N ATOM 0 H HIS A 19 -0.132 -11.623 1.652 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.814 -12.028 0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.005 -11.831 -1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.038 -13.011 -0.268 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -1.090 -15.538 -0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.636 -12.898 -3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.279 -16.971 -1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.217 -15.365 -3.668 1.00 0.00 H new ATOM 263 N SER A 20 -3.278 -13.919 2.031 1.00 0.00 N ATOM 264 CA SER A 20 -3.615 -15.107 2.807 1.00 0.00 C ATOM 265 C SER A 20 -3.639 -16.347 1.918 1.00 0.00 C ATOM 266 O SER A 20 -4.057 -16.287 0.762 1.00 0.00 O ATOM 267 CB SER A 20 -4.972 -14.928 3.490 1.00 0.00 C ATOM 268 OG SER A 20 -5.229 -15.985 4.397 1.00 0.00 O ATOM 0 H SER A 20 -4.051 -13.265 1.905 1.00 0.00 H new ATOM 0 HA SER A 20 -2.848 -15.243 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.993 -13.976 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.760 -14.891 2.737 1.00 0.00 H new ATOM 0 HG SER A 20 -6.101 -15.847 4.822 1.00 0.00 H new ATOM 274 N SER A 21 -3.188 -17.470 2.468 1.00 0.00 N ATOM 275 CA SER A 21 -3.154 -18.724 1.725 1.00 0.00 C ATOM 276 C SER A 21 -4.494 -19.448 1.820 1.00 0.00 C ATOM 277 O SER A 21 -5.020 -19.933 0.819 1.00 0.00 O ATOM 278 CB SER A 21 -2.037 -19.625 2.255 1.00 0.00 C ATOM 279 OG SER A 21 -2.213 -19.898 3.635 1.00 0.00 O ATOM 0 H SER A 21 -2.841 -17.537 3.425 1.00 0.00 H new ATOM 0 HA SER A 21 -2.959 -18.492 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.023 -20.560 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.072 -19.144 2.096 1.00 0.00 H new ATOM 0 HG SER A 21 -2.981 -19.392 3.973 1.00 0.00 H new ATOM 285 N GLN A 22 -5.039 -19.515 3.030 1.00 0.00 N ATOM 286 CA GLN A 22 -6.317 -20.180 3.256 1.00 0.00 C ATOM 287 C GLN A 22 -7.425 -19.521 2.441 1.00 0.00 C ATOM 288 O GLN A 22 -8.461 -20.131 2.177 1.00 0.00 O ATOM 289 CB GLN A 22 -6.675 -20.152 4.743 1.00 0.00 C ATOM 290 CG GLN A 22 -6.210 -18.893 5.456 1.00 0.00 C ATOM 291 CD GLN A 22 -4.813 -19.030 6.030 1.00 0.00 C ATOM 292 OE1 GLN A 22 -4.015 -19.844 5.565 1.00 0.00 O ATOM 293 NE2 GLN A 22 -4.510 -18.231 7.047 1.00 0.00 N ATOM 0 H GLN A 22 -4.616 -19.117 3.869 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.221 -21.216 2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.756 -20.242 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.233 -21.021 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.232 -18.056 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.907 -18.656 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.202 -17.571 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.585 -18.278 7.474 1.00 0.00 H new ATOM 302 N ARG A 23 -7.199 -18.273 2.045 1.00 0.00 N ATOM 303 CA ARG A 23 -8.179 -17.531 1.261 1.00 0.00 C ATOM 304 C ARG A 23 -7.669 -17.285 -0.155 1.00 0.00 C ATOM 305 O ARG A 23 -8.454 -17.125 -1.089 1.00 0.00 O ATOM 306 CB ARG A 23 -8.500 -16.197 1.938 1.00 0.00 C ATOM 307 CG ARG A 23 -9.568 -16.301 3.015 1.00 0.00 C ATOM 308 CD ARG A 23 -9.247 -17.403 4.012 1.00 0.00 C ATOM 309 NE ARG A 23 -9.877 -17.168 5.309 1.00 0.00 N ATOM 310 CZ ARG A 23 -9.560 -16.155 6.107 1.00 0.00 C ATOM 311 NH1 ARG A 23 -8.625 -15.287 5.744 1.00 0.00 N ATOM 312 NH2 ARG A 23 -10.178 -16.008 7.272 1.00 0.00 N ATOM 0 H ARG A 23 -6.346 -17.754 2.254 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.088 -18.129 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.588 -15.795 2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.828 -15.485 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.653 -15.349 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.535 -16.498 2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.582 -18.361 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.167 -17.472 4.141 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.600 -17.818 5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.147 -15.396 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.384 -14.510 6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.897 -16.673 7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.934 -15.230 7.884 1.00 0.00 H new ATOM 326 N ASN A 24 -6.349 -17.255 -0.307 1.00 0.00 N ATOM 327 CA ASN A 24 -5.733 -17.027 -1.609 1.00 0.00 C ATOM 328 C ASN A 24 -6.172 -15.687 -2.191 1.00 0.00 C ATOM 329 O ASN A 24 -6.476 -15.583 -3.380 1.00 0.00 O ATOM 330 CB ASN A 24 -6.097 -18.159 -2.573 1.00 0.00 C ATOM 331 CG ASN A 24 -5.885 -19.530 -1.962 1.00 0.00 C ATOM 332 OD1 ASN A 24 -6.623 -19.944 -1.067 1.00 0.00 O ATOM 333 ND2 ASN A 24 -4.872 -20.242 -2.443 1.00 0.00 N ATOM 0 H ASN A 24 -5.685 -17.386 0.456 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.652 -17.007 -1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.140 -18.055 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.495 -18.070 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.680 -21.172 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.286 -19.859 -3.185 1.00 0.00 H new ATOM 340 N LYS A 25 -6.202 -14.663 -1.346 1.00 0.00 N ATOM 341 CA LYS A 25 -6.602 -13.328 -1.775 1.00 0.00 C ATOM 342 C LYS A 25 -5.509 -12.308 -1.469 1.00 0.00 C ATOM 343 O LYS A 25 -4.596 -12.577 -0.687 1.00 0.00 O ATOM 344 CB LYS A 25 -7.905 -12.916 -1.085 1.00 0.00 C ATOM 345 CG LYS A 25 -9.116 -13.705 -1.553 1.00 0.00 C ATOM 346 CD LYS A 25 -10.391 -12.886 -1.446 1.00 0.00 C ATOM 347 CE LYS A 25 -11.611 -13.775 -1.266 1.00 0.00 C ATOM 348 NZ LYS A 25 -12.872 -13.064 -1.618 1.00 0.00 N ATOM 0 H LYS A 25 -5.954 -14.732 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.761 -13.353 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.792 -13.044 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.081 -11.855 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.970 -14.019 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.214 -14.612 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.313 -12.198 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.511 -12.279 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.509 -14.663 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.663 -14.116 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.681 -13.704 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.983 -12.231 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.834 -12.761 -2.612 1.00 0.00 H new ATOM 362 N LEU A 26 -5.608 -11.137 -2.089 1.00 0.00 N ATOM 363 CA LEU A 26 -4.629 -10.076 -1.881 1.00 0.00 C ATOM 364 C LEU A 26 -5.274 -8.860 -1.226 1.00 0.00 C ATOM 365 O LEU A 26 -5.955 -8.075 -1.887 1.00 0.00 O ATOM 366 CB LEU A 26 -3.993 -9.675 -3.213 1.00 0.00 C ATOM 367 CG LEU A 26 -2.816 -8.703 -3.129 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.556 -9.426 -2.678 1.00 0.00 C ATOM 369 CD2 LEU A 26 -2.590 -8.021 -4.471 1.00 0.00 C ATOM 0 H LEU A 26 -6.356 -10.898 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.854 -10.456 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.656 -10.580 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.764 -9.228 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.055 -7.938 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.729 -8.717 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.721 -9.866 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.313 -10.213 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.748 -7.333 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.374 -8.773 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.486 -7.468 -4.753 1.00 0.00 H new ATOM 381 N ILE A 27 -5.054 -8.709 0.075 1.00 0.00 N ATOM 382 CA ILE A 27 -5.612 -7.586 0.819 1.00 0.00 C ATOM 383 C ILE A 27 -4.646 -6.406 0.839 1.00 0.00 C ATOM 384 O ILE A 27 -3.460 -6.565 1.126 1.00 0.00 O ATOM 385 CB ILE A 27 -5.950 -7.982 2.268 1.00 0.00 C ATOM 386 CG1 ILE A 27 -7.049 -9.047 2.285 1.00 0.00 C ATOM 387 CG2 ILE A 27 -6.378 -6.759 3.065 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.537 -10.448 2.033 1.00 0.00 C ATOM 0 H ILE A 27 -4.493 -9.350 0.636 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.529 -7.294 0.308 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.057 -8.400 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.553 -9.022 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.795 -8.800 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.614 -7.055 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.568 -6.030 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.260 -6.314 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.370 -11.150 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.058 -10.490 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.813 -10.715 2.803 1.00 0.00 H new ATOM 400 N VAL A 28 -5.163 -5.220 0.533 1.00 0.00 N ATOM 401 CA VAL A 28 -4.347 -4.011 0.518 1.00 0.00 C ATOM 402 C VAL A 28 -5.075 -2.849 1.184 1.00 0.00 C ATOM 403 O VAL A 28 -6.009 -2.281 0.618 1.00 0.00 O ATOM 404 CB VAL A 28 -3.966 -3.608 -0.919 1.00 0.00 C ATOM 405 CG1 VAL A 28 -2.955 -2.472 -0.905 1.00 0.00 C ATOM 406 CG2 VAL A 28 -3.423 -4.807 -1.681 1.00 0.00 C ATOM 0 H VAL A 28 -6.143 -5.070 0.292 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.439 -4.235 1.077 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.863 -3.257 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.698 -2.201 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.385 -1.608 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.056 -2.791 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.159 -4.505 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.537 -5.190 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.183 -5.587 -1.722 1.00 0.00 H new ATOM 416 N VAL A 29 -4.641 -2.499 2.391 1.00 0.00 N ATOM 417 CA VAL A 29 -5.250 -1.403 3.134 1.00 0.00 C ATOM 418 C VAL A 29 -4.559 -0.079 2.826 1.00 0.00 C ATOM 419 O VAL A 29 -3.336 -0.019 2.701 1.00 0.00 O ATOM 420 CB VAL A 29 -5.195 -1.656 4.653 1.00 0.00 C ATOM 421 CG1 VAL A 29 -5.928 -0.556 5.404 1.00 0.00 C ATOM 422 CG2 VAL A 29 -5.779 -3.021 4.986 1.00 0.00 C ATOM 0 H VAL A 29 -3.870 -2.959 2.875 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.292 -1.348 2.819 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.152 -1.645 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.879 -0.752 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.461 0.405 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.971 -0.532 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.732 -3.184 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.817 -3.062 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.206 -3.796 4.477 1.00 0.00 H new ATOM 432 N VAL A 30 -5.351 0.981 2.705 1.00 0.00 N ATOM 433 CA VAL A 30 -4.817 2.306 2.413 1.00 0.00 C ATOM 434 C VAL A 30 -5.153 3.292 3.525 1.00 0.00 C ATOM 435 O VAL A 30 -6.215 3.916 3.516 1.00 0.00 O ATOM 436 CB VAL A 30 -5.361 2.849 1.078 1.00 0.00 C ATOM 437 CG1 VAL A 30 -4.687 4.166 0.723 1.00 0.00 C ATOM 438 CG2 VAL A 30 -5.168 1.826 -0.031 1.00 0.00 C ATOM 0 H VAL A 30 -6.366 0.948 2.805 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.735 2.201 2.340 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.430 3.034 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.084 4.534 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.881 4.897 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.612 4.011 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.558 2.226 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.106 1.608 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.702 0.910 0.222 1.00 0.00 H new ATOM 448 N HIS A 31 -4.242 3.429 4.483 1.00 0.00 N ATOM 449 CA HIS A 31 -4.441 4.342 5.603 1.00 0.00 C ATOM 450 C HIS A 31 -4.652 5.770 5.110 1.00 0.00 C ATOM 451 O HIS A 31 -5.771 6.282 5.122 1.00 0.00 O ATOM 452 CB HIS A 31 -3.243 4.289 6.551 1.00 0.00 C ATOM 453 CG HIS A 31 -2.980 2.924 7.109 1.00 0.00 C ATOM 454 ND1 HIS A 31 -3.641 2.420 8.209 1.00 0.00 N ATOM 455 CD2 HIS A 31 -2.122 1.955 6.711 1.00 0.00 C ATOM 456 CE1 HIS A 31 -3.201 1.201 8.464 1.00 0.00 C ATOM 457 NE2 HIS A 31 -2.279 0.895 7.569 1.00 0.00 N ATOM 0 H HIS A 31 -3.359 2.919 4.506 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.335 4.027 6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.355 4.633 6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.411 4.983 7.375 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.441 2.006 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.538 0.563 9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.767 0.014 7.523 1.00 0.00 H new ATOM 465 N ALA A 32 -3.569 6.408 4.678 1.00 0.00 N ATOM 466 CA ALA A 32 -3.636 7.776 4.180 1.00 0.00 C ATOM 467 C ALA A 32 -2.285 8.228 3.636 1.00 0.00 C ATOM 468 O ALA A 32 -1.244 7.677 3.995 1.00 0.00 O ATOM 469 CB ALA A 32 -4.106 8.716 5.280 1.00 0.00 C ATOM 0 H ALA A 32 -2.635 5.999 4.663 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.356 7.804 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.151 9.734 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.096 8.412 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.408 8.676 6.116 1.00 0.00 H new ATOM 475 N CYS A 33 -2.309 9.234 2.768 1.00 0.00 N ATOM 476 CA CYS A 33 -1.086 9.759 2.172 1.00 0.00 C ATOM 477 C CYS A 33 -0.742 11.127 2.754 1.00 0.00 C ATOM 478 O CYS A 33 -1.550 11.734 3.458 1.00 0.00 O ATOM 479 CB CYS A 33 -1.235 9.861 0.654 1.00 0.00 C ATOM 480 SG CYS A 33 -1.728 8.315 -0.144 1.00 0.00 S ATOM 0 H CYS A 33 -3.162 9.702 2.462 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.274 9.070 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.974 10.629 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.288 10.192 0.228 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.830 8.502 -1.426 1.00 0.00 H new ATOM 486 N ARG A 34 0.461 11.605 2.457 1.00 0.00 N ATOM 487 CA ARG A 34 0.913 12.900 2.952 1.00 0.00 C ATOM 488 C ARG A 34 2.105 13.405 2.145 1.00 0.00 C ATOM 489 O ARG A 34 2.623 12.702 1.279 1.00 0.00 O ATOM 490 CB ARG A 34 1.291 12.799 4.432 1.00 0.00 C ATOM 491 CG ARG A 34 2.231 11.646 4.743 1.00 0.00 C ATOM 492 CD ARG A 34 2.238 11.320 6.229 1.00 0.00 C ATOM 493 NE ARG A 34 3.325 10.411 6.584 1.00 0.00 N ATOM 494 CZ ARG A 34 3.634 10.088 7.835 1.00 0.00 C ATOM 495 NH1 ARG A 34 2.942 10.598 8.845 1.00 0.00 N ATOM 496 NH2 ARG A 34 4.636 9.254 8.078 1.00 0.00 N ATOM 0 H ARG A 34 1.141 11.115 1.876 1.00 0.00 H new ATOM 0 HA ARG A 34 0.094 13.610 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.760 13.733 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.382 12.686 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.928 10.765 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.241 11.901 4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.335 12.242 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.284 10.871 6.506 1.00 0.00 H new ATOM 0 HE ARG A 34 3.877 10.002 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.171 11.240 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.181 10.348 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.171 8.860 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.872 9.007 9.039 1.00 0.00 H new ATOM 510 N ASN A 35 2.534 14.629 2.436 1.00 0.00 N ATOM 511 CA ASN A 35 3.664 15.230 1.736 1.00 0.00 C ATOM 512 C ASN A 35 3.509 15.082 0.226 1.00 0.00 C ATOM 513 O ASN A 35 4.427 14.634 -0.463 1.00 0.00 O ATOM 514 CB ASN A 35 4.974 14.584 2.192 1.00 0.00 C ATOM 515 CG ASN A 35 5.434 15.099 3.542 1.00 0.00 C ATOM 516 OD1 ASN A 35 5.394 16.300 3.807 1.00 0.00 O ATOM 517 ND2 ASN A 35 5.875 14.189 4.403 1.00 0.00 N ATOM 0 H ASN A 35 2.116 15.224 3.152 1.00 0.00 H new ATOM 0 HA ASN A 35 3.687 16.293 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.844 13.503 2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.749 14.777 1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.198 14.476 5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.890 13.204 4.140 1.00 0.00 H new ATOM 524 N LEU A 36 2.343 15.462 -0.284 1.00 0.00 N ATOM 525 CA LEU A 36 2.067 15.373 -1.713 1.00 0.00 C ATOM 526 C LEU A 36 2.227 16.733 -2.385 1.00 0.00 C ATOM 527 O LEU A 36 1.260 17.482 -2.529 1.00 0.00 O ATOM 528 CB LEU A 36 0.652 14.839 -1.948 1.00 0.00 C ATOM 529 CG LEU A 36 0.414 13.378 -1.563 1.00 0.00 C ATOM 530 CD1 LEU A 36 -1.026 12.980 -1.846 1.00 0.00 C ATOM 531 CD2 LEU A 36 1.378 12.466 -2.307 1.00 0.00 C ATOM 0 H LEU A 36 1.573 15.835 0.271 1.00 0.00 H new ATOM 0 HA LEU A 36 2.787 14.683 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.047 15.460 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.410 14.960 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 36 0.596 13.270 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.177 11.937 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.699 13.612 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.236 13.104 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.194 11.431 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.229 12.577 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.403 12.736 -2.053 1.00 0.00 H new ATOM 543 N ILE A 37 3.452 17.044 -2.794 1.00 0.00 N ATOM 544 CA ILE A 37 3.737 18.313 -3.453 1.00 0.00 C ATOM 545 C ILE A 37 2.629 18.685 -4.432 1.00 0.00 C ATOM 546 O ILE A 37 2.163 17.849 -5.205 1.00 0.00 O ATOM 547 CB ILE A 37 5.079 18.265 -4.208 1.00 0.00 C ATOM 548 CG1 ILE A 37 4.950 17.407 -5.468 1.00 0.00 C ATOM 549 CG2 ILE A 37 6.177 17.726 -3.303 1.00 0.00 C ATOM 550 CD1 ILE A 37 4.528 18.190 -6.692 1.00 0.00 C ATOM 0 H ILE A 37 4.263 16.435 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 37 3.796 19.069 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 37 5.347 19.278 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.906 16.923 -5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.224 16.615 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.119 17.698 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.282 18.374 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.917 16.719 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.457 17.518 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.557 18.652 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.265 18.965 -6.900 1.00 0.00 H new ATOM 562 N ALA A 38 2.213 19.947 -4.394 1.00 0.00 N ATOM 563 CA ALA A 38 1.162 20.431 -5.280 1.00 0.00 C ATOM 564 C ALA A 38 1.749 21.011 -6.563 1.00 0.00 C ATOM 565 O ALA A 38 2.803 21.648 -6.542 1.00 0.00 O ATOM 566 CB ALA A 38 0.311 21.474 -4.569 1.00 0.00 C ATOM 0 H ALA A 38 2.588 20.652 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 38 0.531 19.585 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.470 21.827 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.146 21.030 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.939 22.313 -4.270 1.00 0.00 H new ATOM 572 N PHE A 39 1.062 20.785 -7.677 1.00 0.00 N ATOM 573 CA PHE A 39 1.517 21.283 -8.970 1.00 0.00 C ATOM 574 C PHE A 39 1.816 22.778 -8.902 1.00 0.00 C ATOM 575 O PHE A 39 2.809 23.249 -9.457 1.00 0.00 O ATOM 576 CB PHE A 39 0.463 21.010 -10.045 1.00 0.00 C ATOM 577 CG PHE A 39 1.044 20.806 -11.416 1.00 0.00 C ATOM 578 CD1 PHE A 39 1.232 21.881 -12.270 1.00 0.00 C ATOM 579 CD2 PHE A 39 1.401 19.540 -11.849 1.00 0.00 C ATOM 580 CE1 PHE A 39 1.765 21.695 -13.531 1.00 0.00 C ATOM 581 CE2 PHE A 39 1.935 19.348 -13.110 1.00 0.00 C ATOM 582 CZ PHE A 39 2.118 20.428 -13.951 1.00 0.00 C ATOM 0 H PHE A 39 0.188 20.260 -7.711 1.00 0.00 H new ATOM 0 HA PHE A 39 2.436 20.758 -9.231 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.108 20.125 -9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.237 21.845 -10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.959 22.875 -11.946 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.261 18.693 -11.194 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.906 22.541 -14.188 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.208 18.355 -13.436 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.537 20.282 -14.936 1.00 0.00 H new ATOM 592 N SER A 40 0.949 23.518 -8.219 1.00 0.00 N ATOM 593 CA SER A 40 1.117 24.960 -8.082 1.00 0.00 C ATOM 594 C SER A 40 1.024 25.381 -6.618 1.00 0.00 C ATOM 595 O SER A 40 0.744 26.539 -6.311 1.00 0.00 O ATOM 596 CB SER A 40 0.059 25.698 -8.904 1.00 0.00 C ATOM 597 OG SER A 40 0.515 26.985 -9.284 1.00 0.00 O ATOM 0 H SER A 40 0.123 23.143 -7.752 1.00 0.00 H new ATOM 0 HA SER A 40 2.107 25.223 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.185 25.118 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.858 25.791 -8.323 1.00 0.00 H new ATOM 0 HG SER A 40 0.829 27.468 -8.491 1.00 0.00 H new ATOM 603 N GLU A 41 1.261 24.430 -5.719 1.00 0.00 N ATOM 604 CA GLU A 41 1.204 24.702 -4.288 1.00 0.00 C ATOM 605 C GLU A 41 -0.051 25.496 -3.935 1.00 0.00 C ATOM 606 O GLU A 41 -0.057 26.277 -2.982 1.00 0.00 O ATOM 607 CB GLU A 41 2.450 25.470 -3.842 1.00 0.00 C ATOM 608 CG GLU A 41 3.592 24.572 -3.398 1.00 0.00 C ATOM 609 CD GLU A 41 4.889 25.332 -3.200 1.00 0.00 C ATOM 610 OE1 GLU A 41 5.141 26.284 -3.968 1.00 0.00 O ATOM 611 OE2 GLU A 41 5.651 24.975 -2.278 1.00 0.00 O ATOM 0 H GLU A 41 1.494 23.466 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 41 1.168 23.747 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.792 26.099 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.182 26.135 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.319 24.078 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.744 23.789 -4.141 1.00 0.00 H new ATOM 618 N ASP A 42 -1.110 25.292 -4.710 1.00 0.00 N ATOM 619 CA ASP A 42 -2.371 25.988 -4.479 1.00 0.00 C ATOM 620 C ASP A 42 -3.461 25.011 -4.051 1.00 0.00 C ATOM 621 O ASP A 42 -4.298 25.330 -3.208 1.00 0.00 O ATOM 622 CB ASP A 42 -2.804 26.734 -5.743 1.00 0.00 C ATOM 623 CG ASP A 42 -3.884 27.762 -5.467 1.00 0.00 C ATOM 624 OD1 ASP A 42 -3.657 28.649 -4.617 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.957 27.679 -6.100 1.00 0.00 O ATOM 0 H ASP A 42 -1.121 24.651 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.219 26.708 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.939 27.230 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.169 26.016 -6.478 1.00 0.00 H new ATOM 630 N GLY A 43 -3.445 23.819 -4.640 1.00 0.00 N ATOM 631 CA GLY A 43 -4.437 22.814 -4.307 1.00 0.00 C ATOM 632 C GLY A 43 -4.679 21.839 -5.443 1.00 0.00 C ATOM 633 O GLY A 43 -5.279 22.194 -6.457 1.00 0.00 O ATOM 0 H GLY A 43 -2.763 23.532 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.111 22.264 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.375 23.305 -4.048 1.00 0.00 H new ATOM 637 N SER A 44 -4.209 20.607 -5.274 1.00 0.00 N ATOM 638 CA SER A 44 -4.372 19.580 -6.296 1.00 0.00 C ATOM 639 C SER A 44 -5.333 18.493 -5.825 1.00 0.00 C ATOM 640 O SER A 44 -5.754 18.480 -4.668 1.00 0.00 O ATOM 641 CB SER A 44 -3.018 18.962 -6.649 1.00 0.00 C ATOM 642 OG SER A 44 -2.326 19.756 -7.597 1.00 0.00 O ATOM 0 H SER A 44 -3.712 20.296 -4.439 1.00 0.00 H new ATOM 0 HA SER A 44 -4.791 20.051 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.415 18.860 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.166 17.959 -7.049 1.00 0.00 H new ATOM 0 HG SER A 44 -1.542 19.267 -7.924 1.00 0.00 H new ATOM 648 N ASP A 45 -5.676 17.583 -6.730 1.00 0.00 N ATOM 649 CA ASP A 45 -6.587 16.490 -6.408 1.00 0.00 C ATOM 650 C ASP A 45 -5.838 15.163 -6.332 1.00 0.00 C ATOM 651 O ASP A 45 -5.893 14.338 -7.244 1.00 0.00 O ATOM 652 CB ASP A 45 -7.700 16.402 -7.452 1.00 0.00 C ATOM 653 CG ASP A 45 -7.233 16.814 -8.834 1.00 0.00 C ATOM 654 OD1 ASP A 45 -6.214 16.265 -9.305 1.00 0.00 O ATOM 655 OD2 ASP A 45 -7.885 17.686 -9.446 1.00 0.00 O ATOM 0 H ASP A 45 -5.337 17.580 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.029 16.693 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.079 15.381 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.530 17.039 -7.148 1.00 0.00 H new ATOM 660 N PRO A 46 -5.120 14.952 -5.219 1.00 0.00 N ATOM 661 CA PRO A 46 -4.346 13.727 -4.997 1.00 0.00 C ATOM 662 C PRO A 46 -5.237 12.511 -4.771 1.00 0.00 C ATOM 663 O PRO A 46 -6.229 12.582 -4.045 1.00 0.00 O ATOM 664 CB PRO A 46 -3.539 14.041 -3.735 1.00 0.00 C ATOM 665 CG PRO A 46 -4.340 15.075 -3.021 1.00 0.00 C ATOM 666 CD PRO A 46 -5.009 15.892 -4.091 1.00 0.00 C ATOM 0 HA PRO A 46 -3.731 13.472 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.403 13.151 -3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.545 14.412 -3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.077 14.613 -2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.702 15.699 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.987 16.251 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.418 16.769 -4.355 1.00 0.00 H new ATOM 674 N TYR A 47 -4.878 11.395 -5.396 1.00 0.00 N ATOM 675 CA TYR A 47 -5.647 10.163 -5.264 1.00 0.00 C ATOM 676 C TYR A 47 -4.781 8.945 -5.569 1.00 0.00 C ATOM 677 O TYR A 47 -3.891 8.998 -6.419 1.00 0.00 O ATOM 678 CB TYR A 47 -6.857 10.190 -6.199 1.00 0.00 C ATOM 679 CG TYR A 47 -6.565 9.656 -7.583 1.00 0.00 C ATOM 680 CD1 TYR A 47 -5.917 10.441 -8.529 1.00 0.00 C ATOM 681 CD2 TYR A 47 -6.936 8.367 -7.944 1.00 0.00 C ATOM 682 CE1 TYR A 47 -5.648 9.957 -9.795 1.00 0.00 C ATOM 683 CE2 TYR A 47 -6.671 7.875 -9.208 1.00 0.00 C ATOM 684 CZ TYR A 47 -6.027 8.674 -10.129 1.00 0.00 C ATOM 685 OH TYR A 47 -5.760 8.188 -11.389 1.00 0.00 O ATOM 0 H TYR A 47 -4.059 11.318 -5.999 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.994 10.090 -4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.662 9.604 -5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.218 11.215 -6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.619 11.446 -8.270 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.440 7.739 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.144 10.580 -10.519 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.967 6.871 -9.473 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.091 7.268 -11.462 1.00 0.00 H new ATOM 695 N VAL A 48 -5.049 7.846 -4.871 1.00 0.00 N ATOM 696 CA VAL A 48 -4.296 6.613 -5.067 1.00 0.00 C ATOM 697 C VAL A 48 -4.971 5.716 -6.099 1.00 0.00 C ATOM 698 O VAL A 48 -6.194 5.732 -6.245 1.00 0.00 O ATOM 699 CB VAL A 48 -4.142 5.833 -3.748 1.00 0.00 C ATOM 700 CG1 VAL A 48 -3.445 4.504 -3.991 1.00 0.00 C ATOM 701 CG2 VAL A 48 -3.382 6.664 -2.724 1.00 0.00 C ATOM 0 H VAL A 48 -5.782 7.784 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.308 6.899 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.136 5.627 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.345 3.968 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.033 3.907 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.456 4.684 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.282 6.098 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.392 6.903 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.927 7.587 -2.528 1.00 0.00 H new ATOM 711 N ARG A 49 -4.167 4.933 -6.811 1.00 0.00 N ATOM 712 CA ARG A 49 -4.687 4.029 -7.830 1.00 0.00 C ATOM 713 C ARG A 49 -3.992 2.673 -7.758 1.00 0.00 C ATOM 714 O ARG A 49 -2.766 2.596 -7.671 1.00 0.00 O ATOM 715 CB ARG A 49 -4.503 4.636 -9.222 1.00 0.00 C ATOM 716 CG ARG A 49 -4.313 3.600 -10.318 1.00 0.00 C ATOM 717 CD ARG A 49 -2.840 3.316 -10.566 1.00 0.00 C ATOM 718 NE ARG A 49 -2.269 4.218 -11.563 1.00 0.00 N ATOM 719 CZ ARG A 49 -2.536 4.141 -12.862 1.00 0.00 C ATOM 720 NH1 ARG A 49 -3.360 3.209 -13.319 1.00 0.00 N ATOM 721 NH2 ARG A 49 -1.977 4.999 -13.707 1.00 0.00 N ATOM 0 H ARG A 49 -3.153 4.906 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.751 3.883 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.373 5.249 -9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.639 5.300 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.821 2.677 -10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.777 3.954 -11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.289 3.414 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.721 2.285 -10.899 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.630 4.947 -11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.791 2.548 -12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.563 3.153 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.342 5.718 -13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.182 4.940 -14.704 1.00 0.00 H new ATOM 735 N MET A 50 -4.783 1.606 -7.795 1.00 0.00 N ATOM 736 CA MET A 50 -4.243 0.252 -7.736 1.00 0.00 C ATOM 737 C MET A 50 -4.638 -0.546 -8.974 1.00 0.00 C ATOM 738 O MET A 50 -5.737 -0.382 -9.505 1.00 0.00 O ATOM 739 CB MET A 50 -4.736 -0.461 -6.476 1.00 0.00 C ATOM 740 CG MET A 50 -4.157 0.106 -5.190 1.00 0.00 C ATOM 741 SD MET A 50 -4.528 -0.915 -3.751 1.00 0.00 S ATOM 742 CE MET A 50 -6.223 -0.439 -3.425 1.00 0.00 C ATOM 0 H MET A 50 -5.800 1.652 -7.866 1.00 0.00 H new ATOM 0 HA MET A 50 -3.156 0.322 -7.704 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.823 -0.397 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.481 -1.519 -6.544 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.076 0.201 -5.294 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.552 1.109 -5.030 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.274 0.097 -2.477 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.580 0.207 -4.227 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.847 -1.331 -3.371 1.00 0.00 H new ATOM 752 N TYR A 51 -3.737 -1.410 -9.428 1.00 0.00 N ATOM 753 CA TYR A 51 -3.991 -2.231 -10.606 1.00 0.00 C ATOM 754 C TYR A 51 -3.151 -3.504 -10.573 1.00 0.00 C ATOM 755 O TYR A 51 -1.923 -3.451 -10.500 1.00 0.00 O ATOM 756 CB TYR A 51 -3.690 -1.440 -11.880 1.00 0.00 C ATOM 757 CG TYR A 51 -4.875 -0.664 -12.406 1.00 0.00 C ATOM 758 CD1 TYR A 51 -5.838 -1.278 -13.197 1.00 0.00 C ATOM 759 CD2 TYR A 51 -5.034 0.685 -12.109 1.00 0.00 C ATOM 760 CE1 TYR A 51 -6.922 -0.572 -13.680 1.00 0.00 C ATOM 761 CE2 TYR A 51 -6.116 1.399 -12.587 1.00 0.00 C ATOM 762 CZ TYR A 51 -7.057 0.766 -13.372 1.00 0.00 C ATOM 763 OH TYR A 51 -8.137 1.473 -13.850 1.00 0.00 O ATOM 0 H TYR A 51 -2.824 -1.560 -8.998 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.044 -2.512 -10.602 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.872 -0.747 -11.683 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.346 -2.128 -12.652 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.737 -2.326 -13.438 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.299 1.183 -11.494 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.660 -1.065 -14.296 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.224 2.447 -12.347 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.083 2.401 -13.541 1.00 0.00 H new ATOM 773 N LEU A 52 -3.823 -4.649 -10.629 1.00 0.00 N ATOM 774 CA LEU A 52 -3.140 -5.938 -10.606 1.00 0.00 C ATOM 775 C LEU A 52 -2.492 -6.234 -11.955 1.00 0.00 C ATOM 776 O LEU A 52 -3.081 -6.902 -12.806 1.00 0.00 O ATOM 777 CB LEU A 52 -4.124 -7.053 -10.245 1.00 0.00 C ATOM 778 CG LEU A 52 -3.517 -8.306 -9.614 1.00 0.00 C ATOM 779 CD1 LEU A 52 -2.522 -7.928 -8.528 1.00 0.00 C ATOM 780 CD2 LEU A 52 -4.610 -9.202 -9.050 1.00 0.00 C ATOM 0 H LEU A 52 -4.839 -4.711 -10.691 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.357 -5.893 -9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.866 -6.647 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.656 -7.347 -11.150 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.986 -8.859 -10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.100 -8.833 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.722 -7.327 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.030 -7.353 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.160 -10.089 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.170 -8.658 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.285 -9.501 -9.852 1.00 0.00 H new ATOM 792 N LEU A 53 -1.275 -5.735 -12.142 1.00 0.00 N ATOM 793 CA LEU A 53 -0.544 -5.948 -13.387 1.00 0.00 C ATOM 794 C LEU A 53 -0.218 -7.426 -13.581 1.00 0.00 C ATOM 795 O LEU A 53 -0.056 -8.182 -12.624 1.00 0.00 O ATOM 796 CB LEU A 53 0.746 -5.125 -13.391 1.00 0.00 C ATOM 797 CG LEU A 53 0.589 -3.631 -13.106 1.00 0.00 C ATOM 798 CD1 LEU A 53 1.951 -2.963 -12.995 1.00 0.00 C ATOM 799 CD2 LEU A 53 -0.246 -2.966 -14.191 1.00 0.00 C ATOM 0 H LEU A 53 -0.774 -5.180 -11.448 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.178 -5.623 -14.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.425 -5.547 -12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.224 -5.241 -14.364 1.00 0.00 H new ATOM 0 HG LEU A 53 0.071 -3.515 -12.154 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.820 -1.900 -12.792 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.515 -3.420 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.495 -3.089 -13.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.347 -1.903 -13.972 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.244 -3.092 -15.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.234 -3.426 -14.223 1.00 0.00 H new ATOM 811 N PRO A 54 -0.118 -7.847 -14.850 1.00 0.00 N ATOM 812 CA PRO A 54 -0.310 -6.956 -15.998 1.00 0.00 C ATOM 813 C PRO A 54 -1.761 -6.517 -16.156 1.00 0.00 C ATOM 814 O PRO A 54 -2.038 -5.378 -16.532 1.00 0.00 O ATOM 815 CB PRO A 54 0.122 -7.815 -17.190 1.00 0.00 C ATOM 816 CG PRO A 54 -0.088 -9.219 -16.741 1.00 0.00 C ATOM 817 CD PRO A 54 0.190 -9.227 -15.263 1.00 0.00 C ATOM 0 HA PRO A 54 0.256 -6.030 -15.894 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.472 -7.590 -18.076 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.165 -7.635 -17.451 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.107 -9.547 -16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.580 -9.901 -17.267 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.435 -9.952 -14.741 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.227 -9.488 -15.051 1.00 0.00 H new ATOM 825 N ASP A 55 -2.684 -7.428 -15.866 1.00 0.00 N ATOM 826 CA ASP A 55 -4.109 -7.134 -15.973 1.00 0.00 C ATOM 827 C ASP A 55 -4.390 -5.675 -15.628 1.00 0.00 C ATOM 828 O ASP A 55 -4.111 -5.223 -14.517 1.00 0.00 O ATOM 829 CB ASP A 55 -4.912 -8.053 -15.052 1.00 0.00 C ATOM 830 CG ASP A 55 -6.408 -7.892 -15.235 1.00 0.00 C ATOM 831 OD1 ASP A 55 -6.941 -6.829 -14.854 1.00 0.00 O ATOM 832 OD2 ASP A 55 -7.047 -8.830 -15.758 1.00 0.00 O ATOM 0 H ASP A 55 -2.471 -8.376 -15.555 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.415 -7.310 -17.004 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.635 -9.089 -15.246 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.651 -7.842 -14.015 1.00 0.00 H new ATOM 837 N LYS A 56 -4.944 -4.942 -16.588 1.00 0.00 N ATOM 838 CA LYS A 56 -5.265 -3.533 -16.387 1.00 0.00 C ATOM 839 C LYS A 56 -6.756 -3.281 -16.582 1.00 0.00 C ATOM 840 O LYS A 56 -7.221 -2.146 -16.485 1.00 0.00 O ATOM 841 CB LYS A 56 -4.459 -2.663 -17.354 1.00 0.00 C ATOM 842 CG LYS A 56 -3.104 -2.245 -16.810 1.00 0.00 C ATOM 843 CD LYS A 56 -3.222 -1.058 -15.869 1.00 0.00 C ATOM 844 CE LYS A 56 -1.973 -0.191 -15.904 1.00 0.00 C ATOM 845 NZ LYS A 56 -1.876 0.691 -14.708 1.00 0.00 N ATOM 0 H LYS A 56 -5.180 -5.300 -17.513 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.001 -3.268 -15.363 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.314 -3.209 -18.286 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.036 -1.770 -17.594 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.648 -3.084 -16.284 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.442 -1.990 -17.637 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.090 -0.459 -16.145 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.391 -1.414 -14.853 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.090 -0.828 -15.958 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.981 0.420 -16.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.329 1.543 -14.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.831 0.967 -14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.400 0.180 -13.937 1.00 0.00 H new ATOM 859 N ARG A 57 -7.501 -4.348 -16.855 1.00 0.00 N ATOM 860 CA ARG A 57 -8.940 -4.241 -17.063 1.00 0.00 C ATOM 861 C ARG A 57 -9.558 -3.241 -16.091 1.00 0.00 C ATOM 862 O ARG A 57 -9.413 -3.372 -14.875 1.00 0.00 O ATOM 863 CB ARG A 57 -9.604 -5.609 -16.894 1.00 0.00 C ATOM 864 CG ARG A 57 -9.490 -6.497 -18.123 1.00 0.00 C ATOM 865 CD ARG A 57 -10.237 -7.808 -17.933 1.00 0.00 C ATOM 866 NE ARG A 57 -10.701 -8.362 -19.203 1.00 0.00 N ATOM 867 CZ ARG A 57 -11.342 -9.521 -19.309 1.00 0.00 C ATOM 868 NH1 ARG A 57 -11.593 -10.244 -18.226 1.00 0.00 N ATOM 869 NH2 ARG A 57 -11.732 -9.958 -20.499 1.00 0.00 N ATOM 0 H ARG A 57 -7.132 -5.295 -16.937 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.109 -3.885 -18.079 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.153 -6.120 -16.044 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.658 -5.465 -16.657 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.889 -5.972 -18.991 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.439 -6.702 -18.329 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.585 -8.529 -17.440 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.090 -7.647 -17.274 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.523 -7.830 -20.055 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.294 -9.911 -17.310 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.085 -11.133 -18.309 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.540 -9.404 -21.334 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.224 -10.848 -20.579 1.00 0.00 H new ATOM 883 N ARG A 58 -10.245 -2.242 -16.634 1.00 0.00 N ATOM 884 CA ARG A 58 -10.883 -1.218 -15.815 1.00 0.00 C ATOM 885 C ARG A 58 -12.082 -1.791 -15.065 1.00 0.00 C ATOM 886 O ARG A 58 -12.612 -1.162 -14.149 1.00 0.00 O ATOM 887 CB ARG A 58 -11.327 -0.041 -16.686 1.00 0.00 C ATOM 888 CG ARG A 58 -12.598 -0.313 -17.473 1.00 0.00 C ATOM 889 CD ARG A 58 -12.289 -0.755 -18.895 1.00 0.00 C ATOM 890 NE ARG A 58 -13.376 -1.541 -19.472 1.00 0.00 N ATOM 891 CZ ARG A 58 -14.514 -1.012 -19.908 1.00 0.00 C ATOM 892 NH1 ARG A 58 -14.713 0.296 -19.832 1.00 0.00 N ATOM 893 NH2 ARG A 58 -15.457 -1.793 -20.421 1.00 0.00 N ATOM 0 H ARG A 58 -10.374 -2.119 -17.638 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.154 -0.866 -15.085 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.482 0.832 -16.052 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.525 0.209 -17.381 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.181 -1.084 -16.970 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.213 0.587 -17.496 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.107 0.122 -19.516 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.373 -1.345 -18.900 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.255 -2.551 -19.544 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.991 0.900 -19.438 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.588 0.699 -20.168 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.308 -2.800 -20.481 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.330 -1.386 -20.755 1.00 0.00 H new ATOM 907 N SER A 59 -12.504 -2.988 -15.461 1.00 0.00 N ATOM 908 CA SER A 59 -13.643 -3.644 -14.829 1.00 0.00 C ATOM 909 C SER A 59 -13.358 -3.930 -13.358 1.00 0.00 C ATOM 910 O SER A 59 -14.177 -3.642 -12.487 1.00 0.00 O ATOM 911 CB SER A 59 -13.977 -4.946 -15.558 1.00 0.00 C ATOM 912 OG SER A 59 -15.122 -5.565 -14.998 1.00 0.00 O ATOM 0 H SER A 59 -12.075 -3.523 -16.216 1.00 0.00 H new ATOM 0 HA SER A 59 -14.498 -2.971 -14.891 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.151 -4.741 -16.614 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.127 -5.627 -15.501 1.00 0.00 H new ATOM 0 HG SER A 59 -15.315 -6.394 -15.483 1.00 0.00 H new ATOM 918 N GLY A 60 -12.187 -4.501 -13.088 1.00 0.00 N ATOM 919 CA GLY A 60 -11.813 -4.818 -11.723 1.00 0.00 C ATOM 920 C GLY A 60 -10.941 -3.747 -11.097 1.00 0.00 C ATOM 921 O GLY A 60 -10.055 -4.048 -10.298 1.00 0.00 O ATOM 0 H GLY A 60 -11.491 -4.749 -13.791 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.714 -4.945 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.282 -5.770 -11.707 1.00 0.00 H new ATOM 925 N ARG A 61 -11.192 -2.494 -11.462 1.00 0.00 N ATOM 926 CA ARG A 61 -10.421 -1.376 -10.933 1.00 0.00 C ATOM 927 C ARG A 61 -10.784 -1.106 -9.476 1.00 0.00 C ATOM 928 O ARG A 61 -11.958 -1.120 -9.106 1.00 0.00 O ATOM 929 CB ARG A 61 -10.664 -0.119 -11.772 1.00 0.00 C ATOM 930 CG ARG A 61 -10.231 1.165 -11.084 1.00 0.00 C ATOM 931 CD ARG A 61 -10.662 2.392 -11.873 1.00 0.00 C ATOM 932 NE ARG A 61 -11.995 2.849 -11.490 1.00 0.00 N ATOM 933 CZ ARG A 61 -13.112 2.420 -12.066 1.00 0.00 C ATOM 934 NH1 ARG A 61 -13.057 1.527 -13.044 1.00 0.00 N ATOM 935 NH2 ARG A 61 -14.288 2.883 -11.662 1.00 0.00 N ATOM 0 H ARG A 61 -11.923 -2.228 -12.122 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.365 -1.640 -10.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.128 -0.214 -12.717 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.725 -0.052 -12.013 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.660 1.205 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.147 1.169 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.944 3.196 -11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.650 2.161 -12.938 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.072 3.535 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.155 1.167 -13.356 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.917 1.199 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.335 3.569 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.146 2.553 -12.105 1.00 0.00 H new ATOM 949 N ARG A 62 -9.769 -0.860 -8.654 1.00 0.00 N ATOM 950 CA ARG A 62 -9.981 -0.589 -7.238 1.00 0.00 C ATOM 951 C ARG A 62 -9.092 0.558 -6.765 1.00 0.00 C ATOM 952 O ARG A 62 -7.875 0.408 -6.649 1.00 0.00 O ATOM 953 CB ARG A 62 -9.698 -1.843 -6.408 1.00 0.00 C ATOM 954 CG ARG A 62 -10.512 -3.053 -6.838 1.00 0.00 C ATOM 955 CD ARG A 62 -11.991 -2.865 -6.538 1.00 0.00 C ATOM 956 NE ARG A 62 -12.340 -3.325 -5.197 1.00 0.00 N ATOM 957 CZ ARG A 62 -13.535 -3.141 -4.645 1.00 0.00 C ATOM 958 NH1 ARG A 62 -14.489 -2.510 -5.316 1.00 0.00 N ATOM 959 NH2 ARG A 62 -13.777 -3.588 -3.420 1.00 0.00 N ATOM 0 H ARG A 62 -8.792 -0.843 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.023 -0.299 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.638 -2.085 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.906 -1.629 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.375 -3.224 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.145 -3.941 -6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.250 -1.811 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.582 -3.410 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.628 -3.814 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.307 -2.164 -6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.405 -2.370 -4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.046 -4.074 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.694 -3.446 -2.997 1.00 0.00 H new ATOM 973 N LYS A 63 -9.708 1.703 -6.493 1.00 0.00 N ATOM 974 CA LYS A 63 -8.974 2.876 -6.031 1.00 0.00 C ATOM 975 C LYS A 63 -9.765 3.628 -4.966 1.00 0.00 C ATOM 976 O LYS A 63 -10.944 3.351 -4.741 1.00 0.00 O ATOM 977 CB LYS A 63 -8.668 3.806 -7.207 1.00 0.00 C ATOM 978 CG LYS A 63 -9.858 4.643 -7.647 1.00 0.00 C ATOM 979 CD LYS A 63 -9.638 5.243 -9.025 1.00 0.00 C ATOM 980 CE LYS A 63 -10.474 6.498 -9.226 1.00 0.00 C ATOM 981 NZ LYS A 63 -10.712 6.781 -10.668 1.00 0.00 N ATOM 0 H LYS A 63 -10.714 1.844 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.037 2.537 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.850 4.471 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.322 3.209 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.755 4.024 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.030 5.441 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.583 5.483 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.894 4.508 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.430 6.383 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.969 7.348 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.285 7.644 -10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.801 6.916 -11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.217 5.981 -11.100 1.00 0.00 H new ATOM 995 N THR A 64 -9.111 4.584 -4.313 1.00 0.00 N ATOM 996 CA THR A 64 -9.753 5.376 -3.273 1.00 0.00 C ATOM 997 C THR A 64 -10.209 6.727 -3.813 1.00 0.00 C ATOM 998 O THR A 64 -9.658 7.234 -4.791 1.00 0.00 O ATOM 999 CB THR A 64 -8.808 5.607 -2.078 1.00 0.00 C ATOM 1000 OG1 THR A 64 -7.786 6.544 -2.436 1.00 0.00 O ATOM 1001 CG2 THR A 64 -8.170 4.299 -1.633 1.00 0.00 C ATOM 0 H THR A 64 -8.136 4.828 -4.487 1.00 0.00 H new ATOM 0 HA THR A 64 -10.621 4.810 -2.936 1.00 0.00 H new ATOM 0 HB THR A 64 -9.394 6.008 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.757 7.265 -1.773 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.507 4.486 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.949 3.597 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.597 3.875 -2.457 1.00 0.00 H new ATOM 1009 N HIS A 65 -11.218 7.306 -3.170 1.00 0.00 N ATOM 1010 CA HIS A 65 -11.748 8.599 -3.586 1.00 0.00 C ATOM 1011 C HIS A 65 -10.637 9.642 -3.661 1.00 0.00 C ATOM 1012 O HIS A 65 -9.629 9.542 -2.962 1.00 0.00 O ATOM 1013 CB HIS A 65 -12.836 9.064 -2.617 1.00 0.00 C ATOM 1014 CG HIS A 65 -12.432 8.977 -1.177 1.00 0.00 C ATOM 1015 ND1 HIS A 65 -12.609 7.842 -0.414 1.00 0.00 N ATOM 1016 CD2 HIS A 65 -11.857 9.891 -0.362 1.00 0.00 C ATOM 1017 CE1 HIS A 65 -12.160 8.062 0.809 1.00 0.00 C ATOM 1018 NE2 HIS A 65 -11.698 9.298 0.867 1.00 0.00 N ATOM 0 H HIS A 65 -11.685 6.900 -2.359 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.182 8.484 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -13.102 10.095 -2.850 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.731 8.461 -2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.575 10.899 -0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.169 7.352 1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.290 9.740 1.690 1.00 0.00 H new ATOM 1026 N VAL A 66 -10.829 10.644 -4.515 1.00 0.00 N ATOM 1027 CA VAL A 66 -9.843 11.705 -4.681 1.00 0.00 C ATOM 1028 C VAL A 66 -10.275 12.974 -3.955 1.00 0.00 C ATOM 1029 O VAL A 66 -11.348 13.518 -4.218 1.00 0.00 O ATOM 1030 CB VAL A 66 -9.615 12.031 -6.169 1.00 0.00 C ATOM 1031 CG1 VAL A 66 -10.937 12.322 -6.861 1.00 0.00 C ATOM 1032 CG2 VAL A 66 -8.656 13.202 -6.317 1.00 0.00 C ATOM 0 H VAL A 66 -11.658 10.742 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.911 11.342 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.166 11.161 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.755 12.550 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.587 11.450 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.418 13.175 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.507 13.418 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.074 14.079 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.699 12.949 -5.860 1.00 0.00 H new ATOM 1042 N SER A 67 -9.432 13.442 -3.040 1.00 0.00 N ATOM 1043 CA SER A 67 -9.728 14.647 -2.273 1.00 0.00 C ATOM 1044 C SER A 67 -9.195 15.888 -2.983 1.00 0.00 C ATOM 1045 O SER A 67 -8.225 15.817 -3.738 1.00 0.00 O ATOM 1046 CB SER A 67 -9.122 14.546 -0.872 1.00 0.00 C ATOM 1047 OG SER A 67 -9.962 13.805 -0.005 1.00 0.00 O ATOM 0 H SER A 67 -8.539 13.005 -2.812 1.00 0.00 H new ATOM 0 HA SER A 67 -10.811 14.737 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.143 14.070 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.967 15.546 -0.467 1.00 0.00 H new ATOM 0 HG SER A 67 -9.551 13.754 0.883 1.00 0.00 H new ATOM 1053 N LYS A 68 -9.836 17.025 -2.735 1.00 0.00 N ATOM 1054 CA LYS A 68 -9.427 18.283 -3.348 1.00 0.00 C ATOM 1055 C LYS A 68 -8.984 19.286 -2.287 1.00 0.00 C ATOM 1056 O LYS A 68 -9.536 19.327 -1.187 1.00 0.00 O ATOM 1057 CB LYS A 68 -10.576 18.870 -4.171 1.00 0.00 C ATOM 1058 CG LYS A 68 -11.039 17.965 -5.300 1.00 0.00 C ATOM 1059 CD LYS A 68 -11.565 18.767 -6.478 1.00 0.00 C ATOM 1060 CE LYS A 68 -10.449 19.143 -7.440 1.00 0.00 C ATOM 1061 NZ LYS A 68 -10.944 19.991 -8.560 1.00 0.00 N ATOM 0 H LYS A 68 -10.641 17.101 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.583 18.080 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.419 19.073 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.261 19.826 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.210 17.337 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.820 17.298 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.321 18.186 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.053 19.671 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.667 19.676 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.996 18.237 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.153 20.226 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.672 19.473 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.353 20.867 -8.177 1.00 0.00 H new ATOM 1075 N LYS A 69 -7.987 20.096 -2.625 1.00 0.00 N ATOM 1076 CA LYS A 69 -7.471 21.101 -1.704 1.00 0.00 C ATOM 1077 C LYS A 69 -6.895 20.448 -0.452 1.00 0.00 C ATOM 1078 O LYS A 69 -7.226 20.832 0.671 1.00 0.00 O ATOM 1079 CB LYS A 69 -8.579 22.083 -1.316 1.00 0.00 C ATOM 1080 CG LYS A 69 -8.697 23.269 -2.257 1.00 0.00 C ATOM 1081 CD LYS A 69 -9.179 22.843 -3.634 1.00 0.00 C ATOM 1082 CE LYS A 69 -9.197 24.013 -4.606 1.00 0.00 C ATOM 1083 NZ LYS A 69 -10.232 23.840 -5.662 1.00 0.00 N ATOM 0 H LYS A 69 -7.520 20.076 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.672 21.644 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.531 21.553 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.392 22.448 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.389 23.999 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.729 23.762 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.530 22.058 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.180 22.419 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.387 24.937 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.217 24.114 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.213 24.658 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.037 22.972 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.171 23.769 -5.220 1.00 0.00 H new ATOM 1097 N THR A 70 -6.030 19.458 -0.650 1.00 0.00 N ATOM 1098 CA THR A 70 -5.408 18.752 0.462 1.00 0.00 C ATOM 1099 C THR A 70 -4.176 17.980 0.004 1.00 0.00 C ATOM 1100 O THR A 70 -4.188 17.339 -1.048 1.00 0.00 O ATOM 1101 CB THR A 70 -6.394 17.773 1.128 1.00 0.00 C ATOM 1102 OG1 THR A 70 -6.012 17.543 2.489 1.00 0.00 O ATOM 1103 CG2 THR A 70 -6.434 16.451 0.376 1.00 0.00 C ATOM 0 H THR A 70 -5.744 19.127 -1.572 1.00 0.00 H new ATOM 0 HA THR A 70 -5.110 19.508 1.189 1.00 0.00 H new ATOM 0 HB THR A 70 -7.389 18.218 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.645 16.921 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.137 15.776 0.864 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.753 16.626 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.441 16.002 0.376 1.00 0.00 H new ATOM 1111 N LEU A 71 -3.113 18.045 0.799 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.872 17.351 0.475 1.00 0.00 C ATOM 1113 C LEU A 71 -1.824 15.980 1.141 1.00 0.00 C ATOM 1114 O LEU A 71 -1.207 15.049 0.625 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.668 18.187 0.915 1.00 0.00 C ATOM 1116 CG LEU A 71 -0.124 19.175 -0.117 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -1.257 19.757 -0.948 1.00 0.00 C ATOM 1118 CD2 LEU A 71 0.662 20.284 0.568 1.00 0.00 C ATOM 0 H LEU A 71 -3.086 18.571 1.672 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.835 17.210 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.945 18.743 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.137 17.508 1.198 1.00 0.00 H new ATOM 0 HG LEU A 71 0.550 18.639 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.851 20.458 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.777 18.953 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.957 20.278 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.042 20.978 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.010 20.818 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.498 19.851 1.118 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.482 15.863 2.290 1.00 0.00 N ATOM 1131 CA ASN A 72 -2.516 14.605 3.026 1.00 0.00 C ATOM 1132 C ASN A 72 -3.925 14.019 3.038 1.00 0.00 C ATOM 1133 O ASN A 72 -4.663 14.132 4.018 1.00 0.00 O ATOM 1134 CB ASN A 72 -2.027 14.815 4.461 1.00 0.00 C ATOM 1135 CG ASN A 72 -2.563 16.096 5.072 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -2.359 17.185 4.535 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -3.252 15.970 6.200 1.00 0.00 N ATOM 0 H ASN A 72 -2.999 16.624 2.731 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.853 13.901 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.333 13.967 5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.937 14.839 4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.637 16.796 6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.396 15.047 6.609 1.00 0.00 H new ATOM 1144 N PRO A 73 -4.309 13.378 1.924 1.00 0.00 N ATOM 1145 CA PRO A 73 -5.631 12.762 1.782 1.00 0.00 C ATOM 1146 C PRO A 73 -5.795 11.529 2.665 1.00 0.00 C ATOM 1147 O PRO A 73 -4.847 10.769 2.869 1.00 0.00 O ATOM 1148 CB PRO A 73 -5.683 12.371 0.303 1.00 0.00 C ATOM 1149 CG PRO A 73 -4.257 12.207 -0.096 1.00 0.00 C ATOM 1150 CD PRO A 73 -3.482 13.206 0.718 1.00 0.00 C ATOM 0 HA PRO A 73 -6.430 13.438 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.244 11.448 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.175 13.140 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.911 11.192 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.127 12.388 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.486 12.838 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.352 14.146 0.182 1.00 0.00 H new ATOM 1158 N VAL A 74 -7.002 11.336 3.186 1.00 0.00 N ATOM 1159 CA VAL A 74 -7.289 10.194 4.046 1.00 0.00 C ATOM 1160 C VAL A 74 -8.345 9.288 3.423 1.00 0.00 C ATOM 1161 O VAL A 74 -9.319 9.763 2.839 1.00 0.00 O ATOM 1162 CB VAL A 74 -7.773 10.647 5.437 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -8.096 9.443 6.308 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -6.730 11.532 6.102 1.00 0.00 C ATOM 0 H VAL A 74 -7.797 11.955 3.028 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.358 9.639 4.156 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.685 11.231 5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.436 9.782 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.881 8.852 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.203 8.830 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.089 11.843 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.799 10.976 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.553 12.413 5.485 1.00 0.00 H new ATOM 1174 N PHE A 75 -8.145 7.981 3.551 1.00 0.00 N ATOM 1175 CA PHE A 75 -9.080 7.007 3.000 1.00 0.00 C ATOM 1176 C PHE A 75 -9.407 5.926 4.025 1.00 0.00 C ATOM 1177 O PHE A 75 -10.575 5.647 4.299 1.00 0.00 O ATOM 1178 CB PHE A 75 -8.499 6.369 1.736 1.00 0.00 C ATOM 1179 CG PHE A 75 -7.657 7.310 0.923 1.00 0.00 C ATOM 1180 CD1 PHE A 75 -8.246 8.304 0.159 1.00 0.00 C ATOM 1181 CD2 PHE A 75 -6.275 7.199 0.922 1.00 0.00 C ATOM 1182 CE1 PHE A 75 -7.474 9.171 -0.591 1.00 0.00 C ATOM 1183 CE2 PHE A 75 -5.498 8.064 0.175 1.00 0.00 C ATOM 1184 CZ PHE A 75 -6.098 9.050 -0.584 1.00 0.00 C ATOM 0 H PHE A 75 -7.344 7.572 4.031 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.001 7.530 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.896 5.506 2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.316 5.998 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.321 8.403 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.801 6.428 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.946 9.942 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.422 7.969 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.492 9.725 -1.171 1.00 0.00 H new ATOM 1194 N ASP A 76 -8.368 5.319 4.588 1.00 0.00 N ATOM 1195 CA ASP A 76 -8.543 4.268 5.583 1.00 0.00 C ATOM 1196 C ASP A 76 -9.435 3.153 5.046 1.00 0.00 C ATOM 1197 O ASP A 76 -10.175 2.521 5.799 1.00 0.00 O ATOM 1198 CB ASP A 76 -9.144 4.846 6.865 1.00 0.00 C ATOM 1199 CG ASP A 76 -8.803 4.018 8.089 1.00 0.00 C ATOM 1200 OD1 ASP A 76 -9.452 2.972 8.297 1.00 0.00 O ATOM 1201 OD2 ASP A 76 -7.888 4.418 8.839 1.00 0.00 O ATOM 0 H ASP A 76 -7.395 5.537 4.372 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.563 3.847 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.781 5.864 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.227 4.905 6.760 1.00 0.00 H new ATOM 1206 N GLN A 77 -9.359 2.920 3.740 1.00 0.00 N ATOM 1207 CA GLN A 77 -10.161 1.882 3.102 1.00 0.00 C ATOM 1208 C GLN A 77 -9.316 0.648 2.803 1.00 0.00 C ATOM 1209 O GLN A 77 -8.109 0.748 2.585 1.00 0.00 O ATOM 1210 CB GLN A 77 -10.785 2.413 1.810 1.00 0.00 C ATOM 1211 CG GLN A 77 -12.140 3.071 2.015 1.00 0.00 C ATOM 1212 CD GLN A 77 -12.508 4.013 0.885 1.00 0.00 C ATOM 1213 OE1 GLN A 77 -11.765 5.106 0.759 1.00 0.00 O flip ATOM 1214 NE2 GLN A 77 -13.451 3.760 0.134 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.751 3.435 3.103 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.956 1.597 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.105 3.134 1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.893 1.590 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.905 2.299 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.133 3.622 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.995 2.908 0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.688 4.403 -0.622 1.00 0.00 H new ATOM 1223 N SER A 78 -9.959 -0.515 2.793 1.00 0.00 N ATOM 1224 CA SER A 78 -9.266 -1.770 2.525 1.00 0.00 C ATOM 1225 C SER A 78 -9.874 -2.479 1.318 1.00 0.00 C ATOM 1226 O SER A 78 -11.095 -2.591 1.200 1.00 0.00 O ATOM 1227 CB SER A 78 -9.327 -2.683 3.751 1.00 0.00 C ATOM 1228 OG SER A 78 -8.789 -3.961 3.462 1.00 0.00 O ATOM 0 H SER A 78 -10.959 -0.615 2.967 1.00 0.00 H new ATOM 0 HA SER A 78 -8.224 -1.541 2.303 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.774 -2.230 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.361 -2.786 4.080 1.00 0.00 H new ATOM 0 HG SER A 78 -8.838 -4.525 4.262 1.00 0.00 H new ATOM 1234 N PHE A 79 -9.014 -2.955 0.425 1.00 0.00 N ATOM 1235 CA PHE A 79 -9.465 -3.653 -0.774 1.00 0.00 C ATOM 1236 C PHE A 79 -9.017 -5.112 -0.755 1.00 0.00 C ATOM 1237 O PHE A 79 -8.213 -5.515 0.086 1.00 0.00 O ATOM 1238 CB PHE A 79 -8.926 -2.959 -2.027 1.00 0.00 C ATOM 1239 CG PHE A 79 -9.292 -1.504 -2.110 1.00 0.00 C ATOM 1240 CD1 PHE A 79 -8.639 -0.566 -1.327 1.00 0.00 C ATOM 1241 CD2 PHE A 79 -10.289 -1.075 -2.972 1.00 0.00 C ATOM 1242 CE1 PHE A 79 -8.975 0.773 -1.401 1.00 0.00 C ATOM 1243 CE2 PHE A 79 -10.628 0.262 -3.050 1.00 0.00 C ATOM 1244 CZ PHE A 79 -9.970 1.187 -2.265 1.00 0.00 C ATOM 0 H PHE A 79 -8.001 -2.871 0.508 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.555 -3.626 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.840 -3.054 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.307 -3.472 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.859 -0.884 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.807 -1.794 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.460 1.494 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.408 0.583 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.233 2.233 -2.326 1.00 0.00 H new ATOM 1254 N ASP A 80 -9.544 -5.898 -1.687 1.00 0.00 N ATOM 1255 CA ASP A 80 -9.199 -7.312 -1.779 1.00 0.00 C ATOM 1256 C ASP A 80 -9.363 -7.819 -3.208 1.00 0.00 C ATOM 1257 O ASP A 80 -10.222 -7.344 -3.952 1.00 0.00 O ATOM 1258 CB ASP A 80 -10.071 -8.134 -0.829 1.00 0.00 C ATOM 1259 CG ASP A 80 -11.465 -7.559 -0.679 1.00 0.00 C ATOM 1260 OD1 ASP A 80 -11.920 -6.854 -1.604 1.00 0.00 O ATOM 1261 OD2 ASP A 80 -12.102 -7.814 0.364 1.00 0.00 O ATOM 0 H ASP A 80 -10.212 -5.580 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.154 -7.426 -1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.141 -9.157 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.593 -8.180 0.150 1.00 0.00 H new ATOM 1266 N PHE A 81 -8.535 -8.787 -3.586 1.00 0.00 N ATOM 1267 CA PHE A 81 -8.587 -9.358 -4.927 1.00 0.00 C ATOM 1268 C PHE A 81 -8.404 -10.872 -4.881 1.00 0.00 C ATOM 1269 O PHE A 81 -7.421 -11.373 -4.334 1.00 0.00 O ATOM 1270 CB PHE A 81 -7.511 -8.730 -5.814 1.00 0.00 C ATOM 1271 CG PHE A 81 -7.444 -7.233 -5.707 1.00 0.00 C ATOM 1272 CD1 PHE A 81 -6.761 -6.630 -4.663 1.00 0.00 C ATOM 1273 CD2 PHE A 81 -8.064 -6.429 -6.650 1.00 0.00 C ATOM 1274 CE1 PHE A 81 -6.699 -5.253 -4.561 1.00 0.00 C ATOM 1275 CE2 PHE A 81 -8.005 -5.051 -6.553 1.00 0.00 C ATOM 1276 CZ PHE A 81 -7.320 -4.463 -5.508 1.00 0.00 C ATOM 0 H PHE A 81 -7.820 -9.193 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.568 -9.141 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.541 -9.149 -5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.701 -9.004 -6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.272 -7.243 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.599 -6.884 -7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.165 -4.795 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.494 -4.435 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.270 -3.387 -5.432 1.00 0.00 H new ATOM 1286 N SER A 82 -9.357 -11.596 -5.459 1.00 0.00 N ATOM 1287 CA SER A 82 -9.304 -13.053 -5.481 1.00 0.00 C ATOM 1288 C SER A 82 -8.240 -13.543 -6.458 1.00 0.00 C ATOM 1289 O SER A 82 -8.518 -13.768 -7.636 1.00 0.00 O ATOM 1290 CB SER A 82 -10.669 -13.628 -5.864 1.00 0.00 C ATOM 1291 OG SER A 82 -11.140 -13.061 -7.074 1.00 0.00 O ATOM 0 H SER A 82 -10.176 -11.197 -5.919 1.00 0.00 H new ATOM 0 HA SER A 82 -9.040 -13.398 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.594 -14.710 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.385 -13.435 -5.065 1.00 0.00 H new ATOM 0 HG SER A 82 -10.430 -13.093 -7.749 1.00 0.00 H new ATOM 1297 N VAL A 83 -7.019 -13.708 -5.959 1.00 0.00 N ATOM 1298 CA VAL A 83 -5.912 -14.173 -6.786 1.00 0.00 C ATOM 1299 C VAL A 83 -4.983 -15.088 -5.997 1.00 0.00 C ATOM 1300 O VAL A 83 -4.629 -14.795 -4.855 1.00 0.00 O ATOM 1301 CB VAL A 83 -5.097 -12.993 -7.348 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.669 -12.057 -6.227 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -3.888 -13.500 -8.120 1.00 0.00 C ATOM 0 H VAL A 83 -6.772 -13.527 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.349 -14.731 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.730 -12.432 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.094 -11.230 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.552 -11.667 -5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.053 -12.603 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.324 -12.653 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.252 -14.085 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.221 -14.126 -8.948 1.00 0.00 H new ATOM 1313 N SER A 84 -4.590 -16.198 -6.614 1.00 0.00 N ATOM 1314 CA SER A 84 -3.704 -17.159 -5.968 1.00 0.00 C ATOM 1315 C SER A 84 -2.277 -16.624 -5.904 1.00 0.00 C ATOM 1316 O SER A 84 -1.814 -15.944 -6.821 1.00 0.00 O ATOM 1317 CB SER A 84 -3.728 -18.492 -6.718 1.00 0.00 C ATOM 1318 OG SER A 84 -4.999 -18.728 -7.299 1.00 0.00 O ATOM 0 H SER A 84 -4.871 -16.454 -7.560 1.00 0.00 H new ATOM 0 HA SER A 84 -4.060 -17.317 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.964 -18.489 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.482 -19.303 -6.033 1.00 0.00 H new ATOM 0 HG SER A 84 -4.988 -19.585 -7.774 1.00 0.00 H new ATOM 1324 N LEU A 85 -1.583 -16.937 -4.815 1.00 0.00 N ATOM 1325 CA LEU A 85 -0.207 -16.488 -4.629 1.00 0.00 C ATOM 1326 C LEU A 85 0.649 -16.842 -5.841 1.00 0.00 C ATOM 1327 O LEU A 85 1.432 -16.032 -6.336 1.00 0.00 O ATOM 1328 CB LEU A 85 0.389 -17.116 -3.368 1.00 0.00 C ATOM 1329 CG LEU A 85 1.915 -17.208 -3.321 1.00 0.00 C ATOM 1330 CD1 LEU A 85 2.516 -15.880 -2.890 1.00 0.00 C ATOM 1331 CD2 LEU A 85 2.353 -18.324 -2.384 1.00 0.00 C ATOM 0 H LEU A 85 -1.950 -17.500 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.216 -15.404 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.053 -16.540 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.019 -18.121 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 85 2.278 -17.439 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.602 -15.964 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.230 -15.104 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.147 -15.618 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.442 -18.375 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.980 -18.124 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.952 -19.274 -2.737 1.00 0.00 H new ATOM 1343 N PRO A 86 0.496 -18.080 -6.333 1.00 0.00 N ATOM 1344 CA PRO A 86 1.245 -18.569 -7.495 1.00 0.00 C ATOM 1345 C PRO A 86 1.219 -17.583 -8.657 1.00 0.00 C ATOM 1346 O PRO A 86 2.186 -17.471 -9.410 1.00 0.00 O ATOM 1347 CB PRO A 86 0.512 -19.859 -7.872 1.00 0.00 C ATOM 1348 CG PRO A 86 -0.117 -20.322 -6.603 1.00 0.00 C ATOM 1349 CD PRO A 86 -0.420 -19.099 -5.793 1.00 0.00 C ATOM 0 HA PRO A 86 2.301 -18.713 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.238 -19.678 -8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.201 -20.605 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.028 -20.885 -6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.554 -20.988 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.462 -18.797 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.246 -19.270 -4.731 1.00 0.00 H new ATOM 1357 N GLU A 87 0.106 -16.869 -8.797 1.00 0.00 N ATOM 1358 CA GLU A 87 -0.044 -15.892 -9.870 1.00 0.00 C ATOM 1359 C GLU A 87 0.476 -14.524 -9.436 1.00 0.00 C ATOM 1360 O GLU A 87 1.383 -13.967 -10.054 1.00 0.00 O ATOM 1361 CB GLU A 87 -1.511 -15.783 -10.289 1.00 0.00 C ATOM 1362 CG GLU A 87 -1.897 -16.735 -11.408 1.00 0.00 C ATOM 1363 CD GLU A 87 -1.431 -16.254 -12.769 1.00 0.00 C ATOM 1364 OE1 GLU A 87 -1.657 -15.068 -13.087 1.00 0.00 O ATOM 1365 OE2 GLU A 87 -0.842 -17.063 -13.515 1.00 0.00 O ATOM 0 H GLU A 87 -0.704 -16.948 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 87 0.545 -16.232 -10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.143 -15.979 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.714 -14.760 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.470 -17.718 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.980 -16.855 -11.420 1.00 0.00 H new ATOM 1372 N VAL A 88 -0.107 -13.987 -8.369 1.00 0.00 N ATOM 1373 CA VAL A 88 0.296 -12.685 -7.851 1.00 0.00 C ATOM 1374 C VAL A 88 1.810 -12.598 -7.702 1.00 0.00 C ATOM 1375 O VAL A 88 2.402 -11.535 -7.888 1.00 0.00 O ATOM 1376 CB VAL A 88 -0.361 -12.395 -6.489 1.00 0.00 C ATOM 1377 CG1 VAL A 88 0.436 -13.037 -5.364 1.00 0.00 C ATOM 1378 CG2 VAL A 88 -0.495 -10.895 -6.271 1.00 0.00 C ATOM 0 H VAL A 88 -0.860 -14.434 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.038 -11.940 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.361 -12.830 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.044 -12.821 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.475 -14.116 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.449 -12.635 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.961 -10.708 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.493 -10.435 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.113 -10.466 -7.060 1.00 0.00 H new ATOM 1388 N GLN A 89 2.432 -13.724 -7.364 1.00 0.00 N ATOM 1389 CA GLN A 89 3.879 -13.774 -7.190 1.00 0.00 C ATOM 1390 C GLN A 89 4.595 -13.222 -8.418 1.00 0.00 C ATOM 1391 O GLN A 89 5.552 -12.457 -8.298 1.00 0.00 O ATOM 1392 CB GLN A 89 4.332 -15.211 -6.924 1.00 0.00 C ATOM 1393 CG GLN A 89 4.290 -15.600 -5.455 1.00 0.00 C ATOM 1394 CD GLN A 89 5.050 -16.880 -5.168 1.00 0.00 C ATOM 1395 OE1 GLN A 89 4.516 -18.003 -5.634 1.00 0.00 O flip ATOM 1396 NE2 GLN A 89 6.105 -16.860 -4.534 1.00 0.00 N flip ATOM 0 H GLN A 89 1.957 -14.613 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 89 4.138 -13.154 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.698 -15.894 -7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.349 -15.337 -7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.709 -14.791 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.252 -15.721 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.479 -15.974 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.605 -17.729 -4.348 1.00 0.00 H new ATOM 1405 N ARG A 90 4.125 -13.614 -9.597 1.00 0.00 N ATOM 1406 CA ARG A 90 4.722 -13.160 -10.847 1.00 0.00 C ATOM 1407 C ARG A 90 4.055 -11.876 -11.333 1.00 0.00 C ATOM 1408 O ARG A 90 4.236 -11.466 -12.479 1.00 0.00 O ATOM 1409 CB ARG A 90 4.603 -14.245 -11.918 1.00 0.00 C ATOM 1410 CG ARG A 90 3.191 -14.423 -12.451 1.00 0.00 C ATOM 1411 CD ARG A 90 3.196 -14.905 -13.893 1.00 0.00 C ATOM 1412 NE ARG A 90 1.891 -14.744 -14.530 1.00 0.00 N ATOM 1413 CZ ARG A 90 1.616 -15.164 -15.759 1.00 0.00 C ATOM 1414 NH1 ARG A 90 2.549 -15.769 -16.481 1.00 0.00 N ATOM 1415 NH2 ARG A 90 0.405 -14.980 -16.269 1.00 0.00 N ATOM 0 H ARG A 90 3.332 -14.245 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 90 5.777 -12.955 -10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.267 -14.000 -12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.948 -15.192 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.654 -15.139 -11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.654 -13.477 -12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.946 -14.351 -14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.487 -15.955 -13.923 1.00 0.00 H new ATOM 0 HE ARG A 90 1.150 -14.283 -14.001 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.481 -15.913 -16.092 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.335 -16.091 -17.425 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.316 -14.515 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.195 -15.303 -17.213 1.00 0.00 H new ATOM 1429 N ARG A 91 3.283 -11.247 -10.452 1.00 0.00 N ATOM 1430 CA ARG A 91 2.588 -10.011 -10.792 1.00 0.00 C ATOM 1431 C ARG A 91 3.109 -8.847 -9.955 1.00 0.00 C ATOM 1432 O ARG A 91 3.994 -9.017 -9.116 1.00 0.00 O ATOM 1433 CB ARG A 91 1.082 -10.173 -10.578 1.00 0.00 C ATOM 1434 CG ARG A 91 0.452 -11.238 -11.461 1.00 0.00 C ATOM 1435 CD ARG A 91 -1.042 -11.361 -11.207 1.00 0.00 C ATOM 1436 NE ARG A 91 -1.819 -10.476 -12.071 1.00 0.00 N ATOM 1437 CZ ARG A 91 -3.146 -10.490 -12.134 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -3.840 -11.338 -11.387 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -3.781 -9.654 -12.945 1.00 0.00 N ATOM 0 H ARG A 91 3.123 -11.573 -9.499 1.00 0.00 H new ATOM 0 HA ARG A 91 2.778 -9.794 -11.843 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.897 -10.423 -9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.592 -9.218 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.625 -10.992 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.934 -12.198 -11.275 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.354 -12.393 -11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.253 -11.126 -10.164 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.315 -9.811 -12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.355 -11.982 -10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.859 -11.346 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.250 -9.000 -13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.800 -9.665 -12.993 1.00 0.00 H new ATOM 1453 N THR A 92 2.554 -7.661 -10.188 1.00 0.00 N ATOM 1454 CA THR A 92 2.963 -6.468 -9.458 1.00 0.00 C ATOM 1455 C THR A 92 1.777 -5.545 -9.204 1.00 0.00 C ATOM 1456 O THR A 92 0.866 -5.447 -10.027 1.00 0.00 O ATOM 1457 CB THR A 92 4.051 -5.689 -10.220 1.00 0.00 C ATOM 1458 OG1 THR A 92 5.104 -6.576 -10.614 1.00 0.00 O ATOM 1459 CG2 THR A 92 4.619 -4.571 -9.359 1.00 0.00 C ATOM 0 H THR A 92 1.819 -7.502 -10.877 1.00 0.00 H new ATOM 0 HA THR A 92 3.368 -6.805 -8.504 1.00 0.00 H new ATOM 0 HB THR A 92 3.597 -5.248 -11.107 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.791 -6.073 -11.099 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.386 -4.035 -9.918 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.821 -3.881 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.058 -4.995 -8.456 1.00 0.00 H new ATOM 1467 N LEU A 93 1.793 -4.870 -8.060 1.00 0.00 N ATOM 1468 CA LEU A 93 0.718 -3.953 -7.697 1.00 0.00 C ATOM 1469 C LEU A 93 1.048 -2.528 -8.132 1.00 0.00 C ATOM 1470 O LEU A 93 1.871 -1.855 -7.512 1.00 0.00 O ATOM 1471 CB LEU A 93 0.473 -3.994 -6.188 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.956 -3.703 -5.731 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -1.815 -4.954 -5.834 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -0.963 -3.165 -4.308 1.00 0.00 C ATOM 0 H LEU A 93 2.539 -4.940 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.187 -4.271 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.756 -4.980 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.139 -3.274 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.378 -2.942 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.829 -4.727 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.838 -5.296 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.395 -5.737 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.989 -2.964 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.521 -3.903 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.384 -2.243 -4.265 1.00 0.00 H new ATOM 1486 N ASP A 94 0.398 -2.076 -9.198 1.00 0.00 N ATOM 1487 CA ASP A 94 0.619 -0.730 -9.714 1.00 0.00 C ATOM 1488 C ASP A 94 0.035 0.317 -8.770 1.00 0.00 C ATOM 1489 O ASP A 94 -1.170 0.569 -8.774 1.00 0.00 O ATOM 1490 CB ASP A 94 -0.003 -0.584 -11.103 1.00 0.00 C ATOM 1491 CG ASP A 94 0.633 0.531 -11.909 1.00 0.00 C ATOM 1492 OD1 ASP A 94 0.305 1.709 -11.653 1.00 0.00 O ATOM 1493 OD2 ASP A 94 1.459 0.227 -12.795 1.00 0.00 O ATOM 0 H ASP A 94 -0.286 -2.622 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 94 1.694 -0.569 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.101 -1.524 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.071 -0.391 -11.001 1.00 0.00 H new ATOM 1498 N VAL A 95 0.898 0.923 -7.960 1.00 0.00 N ATOM 1499 CA VAL A 95 0.468 1.942 -7.010 1.00 0.00 C ATOM 1500 C VAL A 95 1.082 3.297 -7.343 1.00 0.00 C ATOM 1501 O VAL A 95 2.255 3.544 -7.063 1.00 0.00 O ATOM 1502 CB VAL A 95 0.848 1.559 -5.567 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.198 2.511 -4.574 1.00 0.00 C ATOM 1504 CG2 VAL A 95 0.451 0.120 -5.276 1.00 0.00 C ATOM 0 H VAL A 95 1.899 0.726 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.617 2.009 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 95 1.930 1.642 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.477 2.225 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.536 3.528 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.886 2.462 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.727 -0.134 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.626 0.008 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.967 -0.547 -5.967 1.00 0.00 H new ATOM 1514 N ALA A 96 0.281 4.172 -7.942 1.00 0.00 N ATOM 1515 CA ALA A 96 0.744 5.504 -8.311 1.00 0.00 C ATOM 1516 C ALA A 96 -0.163 6.582 -7.728 1.00 0.00 C ATOM 1517 O ALA A 96 -1.385 6.524 -7.870 1.00 0.00 O ATOM 1518 CB ALA A 96 0.819 5.636 -9.825 1.00 0.00 C ATOM 0 H ALA A 96 -0.692 3.982 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 96 1.742 5.643 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.166 6.636 -10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.514 4.895 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.169 5.472 -10.254 1.00 0.00 H new ATOM 1524 N VAL A 97 0.442 7.566 -7.069 1.00 0.00 N ATOM 1525 CA VAL A 97 -0.312 8.658 -6.465 1.00 0.00 C ATOM 1526 C VAL A 97 -0.110 9.958 -7.235 1.00 0.00 C ATOM 1527 O VAL A 97 0.926 10.611 -7.111 1.00 0.00 O ATOM 1528 CB VAL A 97 0.096 8.875 -4.996 1.00 0.00 C ATOM 1529 CG1 VAL A 97 -0.670 10.045 -4.396 1.00 0.00 C ATOM 1530 CG2 VAL A 97 -0.132 7.608 -4.186 1.00 0.00 C ATOM 0 H VAL A 97 1.452 7.629 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.364 8.376 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 97 1.159 9.112 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.369 10.183 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.451 10.951 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.740 9.840 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.162 7.780 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.187 7.337 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.466 6.797 -4.603 1.00 0.00 H new ATOM 1540 N LYS A 98 -1.107 10.328 -8.031 1.00 0.00 N ATOM 1541 CA LYS A 98 -1.041 11.552 -8.821 1.00 0.00 C ATOM 1542 C LYS A 98 -2.354 12.325 -8.739 1.00 0.00 C ATOM 1543 O LYS A 98 -3.307 11.880 -8.101 1.00 0.00 O ATOM 1544 CB LYS A 98 -0.721 11.224 -10.282 1.00 0.00 C ATOM 1545 CG LYS A 98 -1.540 10.073 -10.840 1.00 0.00 C ATOM 1546 CD LYS A 98 -0.772 9.305 -11.902 1.00 0.00 C ATOM 1547 CE LYS A 98 0.164 8.279 -11.280 1.00 0.00 C ATOM 1548 NZ LYS A 98 0.972 7.569 -12.310 1.00 0.00 N ATOM 0 H LYS A 98 -1.971 9.798 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.246 12.176 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.894 12.111 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.338 10.980 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.818 9.397 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.466 10.458 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.473 8.803 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.197 10.002 -12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.830 8.776 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.418 7.554 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.835 7.188 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.414 6.789 -12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.232 8.234 -13.066 1.00 0.00 H new ATOM 1562 N ASN A 99 -2.396 13.483 -9.389 1.00 0.00 N ATOM 1563 CA ASN A 99 -3.592 14.316 -9.390 1.00 0.00 C ATOM 1564 C ASN A 99 -4.614 13.801 -10.399 1.00 0.00 C ATOM 1565 O ASN A 99 -4.281 13.535 -11.554 1.00 0.00 O ATOM 1566 CB ASN A 99 -3.228 15.767 -9.712 1.00 0.00 C ATOM 1567 CG ASN A 99 -3.237 16.048 -11.202 1.00 0.00 C ATOM 1568 OD1 ASN A 99 -4.093 16.777 -11.703 1.00 0.00 O ATOM 1569 ND2 ASN A 99 -2.280 15.469 -11.919 1.00 0.00 N ATOM 0 H ASN A 99 -1.615 13.866 -9.922 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.036 14.271 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.932 16.434 -9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.240 15.989 -9.309 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.235 15.621 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.591 14.872 -11.462 1.00 0.00 H new ATOM 1576 N SER A 100 -5.859 13.663 -9.954 1.00 0.00 N ATOM 1577 CA SER A 100 -6.929 13.176 -10.817 1.00 0.00 C ATOM 1578 C SER A 100 -7.053 14.040 -12.068 1.00 0.00 C ATOM 1579 O SER A 100 -6.895 13.556 -13.188 1.00 0.00 O ATOM 1580 CB SER A 100 -8.258 13.163 -10.058 1.00 0.00 C ATOM 1581 OG SER A 100 -9.347 12.961 -10.942 1.00 0.00 O ATOM 0 H SER A 100 -6.151 13.881 -9.002 1.00 0.00 H new ATOM 0 HA SER A 100 -6.683 12.159 -11.122 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.244 12.373 -9.307 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.387 14.106 -9.527 1.00 0.00 H new ATOM 0 HG SER A 100 -10.185 12.955 -10.433 1.00 0.00 H new ATOM 1587 N GLY A 101 -7.338 15.323 -11.868 1.00 0.00 N ATOM 1588 CA GLY A 101 -7.479 16.235 -12.989 1.00 0.00 C ATOM 1589 C GLY A 101 -8.152 15.587 -14.182 1.00 0.00 C ATOM 1590 O GLY A 101 -9.356 15.332 -14.163 1.00 0.00 O ATOM 0 H GLY A 101 -7.474 15.747 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.059 17.103 -12.676 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.495 16.598 -13.284 1.00 0.00 H new ATOM 1594 N GLY A 102 -7.373 15.321 -15.227 1.00 0.00 N ATOM 1595 CA GLY A 102 -7.919 14.702 -16.421 1.00 0.00 C ATOM 1596 C GLY A 102 -8.982 13.669 -16.105 1.00 0.00 C ATOM 1597 O GLY A 102 -8.677 12.588 -15.601 1.00 0.00 O ATOM 0 H GLY A 102 -6.374 15.523 -15.268 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.345 15.473 -17.063 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.113 14.229 -16.982 1.00 0.00 H new ATOM 1601 N PHE A 103 -10.234 14.002 -16.399 1.00 0.00 N ATOM 1602 CA PHE A 103 -11.347 13.096 -16.141 1.00 0.00 C ATOM 1603 C PHE A 103 -11.567 12.154 -17.321 1.00 0.00 C ATOM 1604 O PHE A 103 -12.127 11.068 -17.168 1.00 0.00 O ATOM 1605 CB PHE A 103 -12.625 13.890 -15.862 1.00 0.00 C ATOM 1606 CG PHE A 103 -13.658 13.114 -15.096 1.00 0.00 C ATOM 1607 CD1 PHE A 103 -13.616 13.059 -13.712 1.00 0.00 C ATOM 1608 CD2 PHE A 103 -14.671 12.440 -15.760 1.00 0.00 C ATOM 1609 CE1 PHE A 103 -14.565 12.345 -13.005 1.00 0.00 C ATOM 1610 CE2 PHE A 103 -15.622 11.725 -15.058 1.00 0.00 C ATOM 1611 CZ PHE A 103 -15.570 11.678 -13.678 1.00 0.00 C ATOM 0 H PHE A 103 -10.504 14.893 -16.816 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.100 12.499 -15.263 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.369 14.790 -15.302 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.055 14.215 -16.809 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.833 13.580 -13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -14.717 12.474 -16.838 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -14.521 12.309 -11.927 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -16.405 11.203 -15.587 1.00 0.00 H new ATOM 0 HZ PHE A 103 -16.313 11.121 -13.127 1.00 0.00 H new ATOM 1621 N LEU A 104 -11.125 12.579 -18.500 1.00 0.00 N ATOM 1622 CA LEU A 104 -11.273 11.775 -19.708 1.00 0.00 C ATOM 1623 C LEU A 104 -9.952 11.112 -20.086 1.00 0.00 C ATOM 1624 O LEU A 104 -9.719 10.790 -21.251 1.00 0.00 O ATOM 1625 CB LEU A 104 -11.770 12.644 -20.864 1.00 0.00 C ATOM 1626 CG LEU A 104 -13.271 12.936 -20.888 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -14.067 11.641 -20.846 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -13.657 13.839 -19.726 1.00 0.00 C ATOM 0 H LEU A 104 -10.661 13.476 -18.645 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.006 10.993 -19.508 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.236 13.594 -20.834 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.500 12.156 -21.801 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.506 13.453 -21.818 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.133 11.868 -20.864 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.812 11.029 -21.711 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.827 11.096 -19.933 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.728 14.036 -19.759 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.407 13.348 -18.785 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.112 14.780 -19.800 1.00 0.00 H new ATOM 1640 N SER A 105 -9.092 10.909 -19.093 1.00 0.00 N ATOM 1641 CA SER A 105 -7.794 10.286 -19.322 1.00 0.00 C ATOM 1642 C SER A 105 -7.392 9.416 -18.134 1.00 0.00 C ATOM 1643 O SER A 105 -8.164 9.237 -17.192 1.00 0.00 O ATOM 1644 CB SER A 105 -6.728 11.354 -19.570 1.00 0.00 C ATOM 1645 OG SER A 105 -7.074 12.174 -20.673 1.00 0.00 O ATOM 0 H SER A 105 -9.271 11.167 -18.122 1.00 0.00 H new ATOM 0 HA SER A 105 -7.874 9.652 -20.205 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.611 11.969 -18.678 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.766 10.876 -19.756 1.00 0.00 H new ATOM 0 HG SER A 105 -6.377 12.850 -20.810 1.00 0.00 H new ATOM 1651 N LYS A 106 -6.178 8.879 -18.187 1.00 0.00 N ATOM 1652 CA LYS A 106 -5.670 8.029 -17.116 1.00 0.00 C ATOM 1653 C LYS A 106 -4.826 8.835 -16.136 1.00 0.00 C ATOM 1654 O LYS A 106 -4.764 8.518 -14.948 1.00 0.00 O ATOM 1655 CB LYS A 106 -4.840 6.882 -17.698 1.00 0.00 C ATOM 1656 CG LYS A 106 -5.582 6.061 -18.738 1.00 0.00 C ATOM 1657 CD LYS A 106 -5.297 6.554 -20.146 1.00 0.00 C ATOM 1658 CE LYS A 106 -3.888 6.192 -20.589 1.00 0.00 C ATOM 1659 NZ LYS A 106 -3.460 6.979 -21.778 1.00 0.00 N ATOM 0 H LYS A 106 -5.527 9.017 -18.960 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.523 7.616 -16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.936 7.291 -18.148 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -4.524 6.226 -16.887 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.290 5.014 -18.652 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.654 6.110 -18.545 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.020 6.121 -20.838 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.426 7.636 -20.187 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.193 6.368 -19.768 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.843 5.128 -20.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.495 6.703 -22.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.108 6.792 -22.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.478 7.993 -21.548 1.00 0.00 H new ATOM 1673 N ASP A 107 -4.178 9.880 -16.640 1.00 0.00 N ATOM 1674 CA ASP A 107 -3.339 10.734 -15.807 1.00 0.00 C ATOM 1675 C ASP A 107 -2.813 11.923 -16.605 1.00 0.00 C ATOM 1676 O ASP A 107 -2.566 11.818 -17.806 1.00 0.00 O ATOM 1677 CB ASP A 107 -2.170 9.932 -15.233 1.00 0.00 C ATOM 1678 CG ASP A 107 -1.236 9.417 -16.310 1.00 0.00 C ATOM 1679 OD1 ASP A 107 -1.492 8.315 -16.840 1.00 0.00 O ATOM 1680 OD2 ASP A 107 -0.251 10.117 -16.625 1.00 0.00 O ATOM 0 H ASP A 107 -4.218 10.156 -17.621 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.949 11.111 -14.986 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.609 10.559 -14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.558 9.090 -14.660 1.00 0.00 H new ATOM 1685 N LYS A 108 -2.646 13.055 -15.929 1.00 0.00 N ATOM 1686 CA LYS A 108 -2.150 14.265 -16.573 1.00 0.00 C ATOM 1687 C LYS A 108 -0.803 14.679 -15.990 1.00 0.00 C ATOM 1688 O LYS A 108 0.025 15.275 -16.677 1.00 0.00 O ATOM 1689 CB LYS A 108 -3.159 15.405 -16.410 1.00 0.00 C ATOM 1690 CG LYS A 108 -4.199 15.458 -17.516 1.00 0.00 C ATOM 1691 CD LYS A 108 -4.795 16.849 -17.654 1.00 0.00 C ATOM 1692 CE LYS A 108 -3.967 17.720 -18.586 1.00 0.00 C ATOM 1693 NZ LYS A 108 -4.311 19.163 -18.448 1.00 0.00 N ATOM 0 H LYS A 108 -2.847 13.159 -14.934 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.018 14.053 -17.634 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.666 15.297 -15.451 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.622 16.353 -16.381 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.743 15.161 -18.460 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.992 14.740 -17.306 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.814 16.773 -18.034 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.855 17.319 -16.673 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.908 17.577 -18.371 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.129 17.405 -19.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.725 19.723 -19.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.316 19.304 -18.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.133 19.470 -17.471 1.00 0.00 H new ATOM 1707 N GLY A 109 -0.589 14.356 -14.718 1.00 0.00 N ATOM 1708 CA GLY A 109 0.661 14.700 -14.065 1.00 0.00 C ATOM 1709 C GLY A 109 1.021 13.733 -12.955 1.00 0.00 C ATOM 1710 O GLY A 109 0.314 13.638 -11.951 1.00 0.00 O ATOM 0 H GLY A 109 -1.259 13.862 -14.128 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.462 14.714 -14.804 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.588 15.707 -13.655 1.00 0.00 H new ATOM 1714 N LEU A 110 2.122 13.012 -13.135 1.00 0.00 N ATOM 1715 CA LEU A 110 2.574 12.045 -12.141 1.00 0.00 C ATOM 1716 C LEU A 110 3.305 12.741 -10.998 1.00 0.00 C ATOM 1717 O LEU A 110 4.371 13.326 -11.193 1.00 0.00 O ATOM 1718 CB LEU A 110 3.491 11.007 -12.791 1.00 0.00 C ATOM 1719 CG LEU A 110 4.414 10.240 -11.843 1.00 0.00 C ATOM 1720 CD1 LEU A 110 3.613 9.593 -10.724 1.00 0.00 C ATOM 1721 CD2 LEU A 110 5.211 9.192 -12.607 1.00 0.00 C ATOM 0 H LEU A 110 2.718 13.079 -13.960 1.00 0.00 H new ATOM 0 HA LEU A 110 1.697 11.542 -11.734 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.871 10.286 -13.324 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.106 11.511 -13.536 1.00 0.00 H new ATOM 0 HG LEU A 110 5.114 10.947 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.287 9.052 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.089 10.364 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.888 8.899 -11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.862 8.656 -11.917 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.527 8.488 -13.081 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.816 9.680 -13.371 1.00 0.00 H new ATOM 1733 N LEU A 111 2.726 12.672 -9.804 1.00 0.00 N ATOM 1734 CA LEU A 111 3.324 13.294 -8.627 1.00 0.00 C ATOM 1735 C LEU A 111 4.302 12.343 -7.946 1.00 0.00 C ATOM 1736 O LEU A 111 5.351 12.759 -7.458 1.00 0.00 O ATOM 1737 CB LEU A 111 2.234 13.716 -7.640 1.00 0.00 C ATOM 1738 CG LEU A 111 1.138 14.626 -8.198 1.00 0.00 C ATOM 1739 CD1 LEU A 111 0.202 15.077 -7.088 1.00 0.00 C ATOM 1740 CD2 LEU A 111 1.751 15.827 -8.904 1.00 0.00 C ATOM 0 H LEU A 111 1.844 12.192 -9.625 1.00 0.00 H new ATOM 0 HA LEU A 111 3.873 14.178 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.764 12.817 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.709 14.225 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 111 0.557 14.060 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.571 15.723 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.263 14.205 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.768 15.626 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.957 16.464 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.356 16.395 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.379 15.484 -9.726 1.00 0.00 H new ATOM 1752 N GLY A 112 3.950 11.060 -7.918 1.00 0.00 N ATOM 1753 CA GLY A 112 4.809 10.069 -7.296 1.00 0.00 C ATOM 1754 C GLY A 112 4.204 8.680 -7.324 1.00 0.00 C ATOM 1755 O GLY A 112 3.094 8.467 -6.835 1.00 0.00 O ATOM 0 H GLY A 112 3.086 10.690 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.771 10.054 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.002 10.357 -6.263 1.00 0.00 H new ATOM 1759 N LYS A 113 4.934 7.729 -7.898 1.00 0.00 N ATOM 1760 CA LYS A 113 4.464 6.352 -7.988 1.00 0.00 C ATOM 1761 C LYS A 113 5.508 5.384 -7.441 1.00 0.00 C ATOM 1762 O LYS A 113 6.677 5.738 -7.286 1.00 0.00 O ATOM 1763 CB LYS A 113 4.136 5.998 -9.440 1.00 0.00 C ATOM 1764 CG LYS A 113 5.362 5.879 -10.329 1.00 0.00 C ATOM 1765 CD LYS A 113 4.978 5.664 -11.783 1.00 0.00 C ATOM 1766 CE LYS A 113 4.693 4.198 -12.074 1.00 0.00 C ATOM 1767 NZ LYS A 113 4.270 3.985 -13.486 1.00 0.00 N ATOM 0 H LYS A 113 5.854 7.887 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 113 3.560 6.262 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.590 5.055 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.473 6.760 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.965 6.782 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.980 5.048 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.097 6.261 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.783 6.014 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.586 3.607 -11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.912 3.840 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.085 2.974 -13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.404 4.529 -13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.025 4.303 -14.126 1.00 0.00 H new ATOM 1781 N VAL A 114 5.079 4.160 -7.150 1.00 0.00 N ATOM 1782 CA VAL A 114 5.977 3.140 -6.623 1.00 0.00 C ATOM 1783 C VAL A 114 5.437 1.740 -6.891 1.00 0.00 C ATOM 1784 O VAL A 114 4.268 1.452 -6.629 1.00 0.00 O ATOM 1785 CB VAL A 114 6.194 3.313 -5.108 1.00 0.00 C ATOM 1786 CG1 VAL A 114 4.898 3.066 -4.351 1.00 0.00 C ATOM 1787 CG2 VAL A 114 7.292 2.381 -4.618 1.00 0.00 C ATOM 0 H VAL A 114 4.114 3.851 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 114 6.931 3.262 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 114 6.508 4.340 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.071 3.193 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.142 3.777 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.551 2.051 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.432 2.516 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.009 1.348 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.222 2.610 -5.137 1.00 0.00 H new ATOM 1797 N LEU A 115 6.294 0.872 -7.416 1.00 0.00 N ATOM 1798 CA LEU A 115 5.904 -0.501 -7.720 1.00 0.00 C ATOM 1799 C LEU A 115 6.388 -1.458 -6.636 1.00 0.00 C ATOM 1800 O LEU A 115 7.514 -1.345 -6.150 1.00 0.00 O ATOM 1801 CB LEU A 115 6.468 -0.923 -9.078 1.00 0.00 C ATOM 1802 CG LEU A 115 5.664 -0.486 -10.303 1.00 0.00 C ATOM 1803 CD1 LEU A 115 4.184 -0.769 -10.100 1.00 0.00 C ATOM 1804 CD2 LEU A 115 5.892 0.990 -10.592 1.00 0.00 C ATOM 0 H LEU A 115 7.264 1.094 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 115 4.815 -0.544 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.478 -0.524 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.552 -2.010 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 115 6.008 -1.061 -11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.628 -0.451 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.036 -1.837 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.825 -0.221 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.312 1.283 -11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.577 1.582 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.951 1.164 -10.784 1.00 0.00 H new ATOM 1816 N VAL A 116 5.531 -2.402 -6.261 1.00 0.00 N ATOM 1817 CA VAL A 116 5.873 -3.382 -5.237 1.00 0.00 C ATOM 1818 C VAL A 116 5.802 -4.802 -5.788 1.00 0.00 C ATOM 1819 O VAL A 116 4.809 -5.192 -6.400 1.00 0.00 O ATOM 1820 CB VAL A 116 4.937 -3.269 -4.018 1.00 0.00 C ATOM 1821 CG1 VAL A 116 5.268 -4.340 -2.990 1.00 0.00 C ATOM 1822 CG2 VAL A 116 5.029 -1.881 -3.403 1.00 0.00 C ATOM 0 H VAL A 116 4.595 -2.509 -6.651 1.00 0.00 H new ATOM 0 HA VAL A 116 6.895 -3.168 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 116 3.912 -3.425 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.597 -4.245 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.146 -5.326 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.299 -4.218 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.362 -1.819 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.053 -1.693 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.738 -1.135 -4.143 1.00 0.00 H new ATOM 1832 N ALA A 117 6.864 -5.570 -5.567 1.00 0.00 N ATOM 1833 CA ALA A 117 6.922 -6.948 -6.039 1.00 0.00 C ATOM 1834 C ALA A 117 6.271 -7.898 -5.041 1.00 0.00 C ATOM 1835 O ALA A 117 6.761 -8.074 -3.924 1.00 0.00 O ATOM 1836 CB ALA A 117 8.364 -7.357 -6.298 1.00 0.00 C ATOM 0 H ALA A 117 7.696 -5.261 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 117 6.366 -7.009 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.392 -8.388 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.797 -6.703 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.937 -7.273 -5.375 1.00 0.00 H new ATOM 1842 N LEU A 118 5.163 -8.509 -5.448 1.00 0.00 N ATOM 1843 CA LEU A 118 4.444 -9.442 -4.587 1.00 0.00 C ATOM 1844 C LEU A 118 4.959 -10.865 -4.778 1.00 0.00 C ATOM 1845 O LEU A 118 4.245 -11.834 -4.518 1.00 0.00 O ATOM 1846 CB LEU A 118 2.944 -9.387 -4.883 1.00 0.00 C ATOM 1847 CG LEU A 118 2.378 -8.007 -5.223 1.00 0.00 C ATOM 1848 CD1 LEU A 118 0.891 -8.102 -5.530 1.00 0.00 C ATOM 1849 CD2 LEU A 118 2.627 -7.032 -4.081 1.00 0.00 C ATOM 0 H LEU A 118 4.743 -8.375 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 118 4.615 -9.149 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.733 -10.059 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.408 -9.774 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 118 2.889 -7.634 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.505 -7.111 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.737 -8.767 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.364 -8.496 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.218 -6.056 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.143 -7.400 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.699 -6.941 -3.907 1.00 0.00 H new ATOM 1861 N ALA A 119 6.203 -10.984 -5.231 1.00 0.00 N ATOM 1862 CA ALA A 119 6.814 -12.288 -5.452 1.00 0.00 C ATOM 1863 C ALA A 119 7.549 -12.768 -4.204 1.00 0.00 C ATOM 1864 O ALA A 119 8.362 -13.690 -4.268 1.00 0.00 O ATOM 1865 CB ALA A 119 7.766 -12.231 -6.638 1.00 0.00 C ATOM 0 H ALA A 119 6.807 -10.192 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 119 6.020 -13.001 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.215 -13.212 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.216 -11.940 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.550 -11.500 -6.440 1.00 0.00 H new ATOM 1871 N SER A 120 7.258 -12.136 -3.072 1.00 0.00 N ATOM 1872 CA SER A 120 7.895 -12.496 -1.810 1.00 0.00 C ATOM 1873 C SER A 120 7.003 -13.430 -0.999 1.00 0.00 C ATOM 1874 O SER A 120 5.792 -13.486 -1.208 1.00 0.00 O ATOM 1875 CB SER A 120 8.210 -11.239 -0.997 1.00 0.00 C ATOM 1876 OG SER A 120 9.467 -10.696 -1.362 1.00 0.00 O ATOM 0 H SER A 120 6.586 -11.372 -3.002 1.00 0.00 H new ATOM 0 HA SER A 120 8.826 -13.016 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.429 -10.495 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.210 -11.480 0.066 1.00 0.00 H new ATOM 0 HG SER A 120 9.644 -9.893 -0.829 1.00 0.00 H new ATOM 1882 N GLU A 121 7.613 -14.164 -0.073 1.00 0.00 N ATOM 1883 CA GLU A 121 6.875 -15.097 0.770 1.00 0.00 C ATOM 1884 C GLU A 121 6.293 -14.387 1.988 1.00 0.00 C ATOM 1885 O GLU A 121 5.215 -14.738 2.467 1.00 0.00 O ATOM 1886 CB GLU A 121 7.785 -16.242 1.220 1.00 0.00 C ATOM 1887 CG GLU A 121 7.936 -17.343 0.183 1.00 0.00 C ATOM 1888 CD GLU A 121 8.766 -16.911 -1.010 1.00 0.00 C ATOM 1889 OE1 GLU A 121 8.224 -16.206 -1.887 1.00 0.00 O ATOM 1890 OE2 GLU A 121 9.959 -17.278 -1.066 1.00 0.00 O ATOM 0 H GLU A 121 8.616 -14.130 0.112 1.00 0.00 H new ATOM 0 HA GLU A 121 6.053 -15.505 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.770 -15.840 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.386 -16.672 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.400 -18.213 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.948 -17.653 -0.159 1.00 0.00 H new ATOM 1897 N GLU A 122 7.015 -13.387 2.484 1.00 0.00 N ATOM 1898 CA GLU A 122 6.570 -12.628 3.648 1.00 0.00 C ATOM 1899 C GLU A 122 5.062 -12.400 3.605 1.00 0.00 C ATOM 1900 O GLU A 122 4.412 -12.276 4.643 1.00 0.00 O ATOM 1901 CB GLU A 122 7.299 -11.284 3.717 1.00 0.00 C ATOM 1902 CG GLU A 122 8.613 -11.343 4.477 1.00 0.00 C ATOM 1903 CD GLU A 122 9.106 -9.971 4.897 1.00 0.00 C ATOM 1904 OE1 GLU A 122 8.829 -8.994 4.171 1.00 0.00 O ATOM 1905 OE2 GLU A 122 9.768 -9.877 5.951 1.00 0.00 O ATOM 0 H GLU A 122 7.909 -13.084 2.099 1.00 0.00 H new ATOM 0 HA GLU A 122 6.807 -13.208 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.491 -10.932 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 122 6.647 -10.551 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.489 -11.967 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.368 -11.821 3.853 1.00 0.00 H new ATOM 1912 N LEU A 123 4.513 -12.344 2.396 1.00 0.00 N ATOM 1913 CA LEU A 123 3.081 -12.130 2.216 1.00 0.00 C ATOM 1914 C LEU A 123 2.275 -13.007 3.169 1.00 0.00 C ATOM 1915 O LEU A 123 1.366 -12.531 3.849 1.00 0.00 O ATOM 1916 CB LEU A 123 2.679 -12.425 0.770 1.00 0.00 C ATOM 1917 CG LEU A 123 2.992 -11.329 -0.250 1.00 0.00 C ATOM 1918 CD1 LEU A 123 2.973 -11.894 -1.662 1.00 0.00 C ATOM 1919 CD2 LEU A 123 2.003 -10.181 -0.120 1.00 0.00 C ATOM 0 H LEU A 123 5.037 -12.444 1.527 1.00 0.00 H new ATOM 0 HA LEU A 123 2.864 -11.086 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 123 3.179 -13.341 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.607 -12.622 0.745 1.00 0.00 H new ATOM 0 HG LEU A 123 3.992 -10.945 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.198 -11.100 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.721 -12.682 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.986 -12.305 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.241 -9.411 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.992 -10.550 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.065 -9.759 0.883 1.00 0.00 H new ATOM 1931 N ALA A 124 2.616 -14.291 3.214 1.00 0.00 N ATOM 1932 CA ALA A 124 1.927 -15.234 4.087 1.00 0.00 C ATOM 1933 C ALA A 124 1.529 -14.574 5.403 1.00 0.00 C ATOM 1934 O ALA A 124 0.483 -14.884 5.973 1.00 0.00 O ATOM 1935 CB ALA A 124 2.804 -16.449 4.347 1.00 0.00 C ATOM 0 H ALA A 124 3.365 -14.702 2.656 1.00 0.00 H new ATOM 0 HA ALA A 124 1.016 -15.558 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 124 2.277 -17.145 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.033 -16.941 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 124 3.731 -16.133 4.826 1.00 0.00 H new ATOM 1941 N LYS A 125 2.371 -13.664 5.881 1.00 0.00 N ATOM 1942 CA LYS A 125 2.107 -12.959 7.130 1.00 0.00 C ATOM 1943 C LYS A 125 1.679 -11.519 6.863 1.00 0.00 C ATOM 1944 O LYS A 125 0.794 -10.990 7.533 1.00 0.00 O ATOM 1945 CB LYS A 125 3.352 -12.975 8.021 1.00 0.00 C ATOM 1946 CG LYS A 125 3.785 -14.370 8.435 1.00 0.00 C ATOM 1947 CD LYS A 125 4.983 -14.328 9.369 1.00 0.00 C ATOM 1948 CE LYS A 125 5.714 -15.662 9.399 1.00 0.00 C ATOM 1949 NZ LYS A 125 6.412 -15.941 8.113 1.00 0.00 N ATOM 0 H LYS A 125 3.242 -13.397 5.422 1.00 0.00 H new ATOM 0 HA LYS A 125 1.293 -13.472 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.173 -12.491 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.156 -12.384 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.956 -14.878 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 125 4.034 -14.953 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.668 -13.544 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.652 -14.070 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.439 -15.661 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 125 5.003 -16.461 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 7.153 -16.654 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.727 -16.299 7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.844 -15.065 7.755 1.00 0.00 H new ATOM 1963 N GLY A 126 2.313 -10.891 5.877 1.00 0.00 N ATOM 1964 CA GLY A 126 1.983 -9.519 5.538 1.00 0.00 C ATOM 1965 C GLY A 126 2.870 -8.517 6.249 1.00 0.00 C ATOM 1966 O GLY A 126 3.394 -8.796 7.327 1.00 0.00 O ATOM 0 H GLY A 126 3.049 -11.308 5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.076 -9.382 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.942 -9.325 5.795 1.00 0.00 H new ATOM 1970 N TRP A 127 3.041 -7.347 5.643 1.00 0.00 N ATOM 1971 CA TRP A 127 3.873 -6.300 6.225 1.00 0.00 C ATOM 1972 C TRP A 127 3.328 -4.918 5.881 1.00 0.00 C ATOM 1973 O TRP A 127 2.473 -4.776 5.006 1.00 0.00 O ATOM 1974 CB TRP A 127 5.314 -6.431 5.730 1.00 0.00 C ATOM 1975 CG TRP A 127 5.479 -6.084 4.281 1.00 0.00 C ATOM 1976 CD1 TRP A 127 5.829 -4.870 3.764 1.00 0.00 C ATOM 1977 CD2 TRP A 127 5.297 -6.961 3.163 1.00 0.00 C ATOM 1978 NE1 TRP A 127 5.876 -4.939 2.392 1.00 0.00 N ATOM 1979 CE2 TRP A 127 5.555 -6.211 1.999 1.00 0.00 C ATOM 1980 CE3 TRP A 127 4.944 -8.307 3.033 1.00 0.00 C ATOM 1981 CZ2 TRP A 127 5.469 -6.763 0.724 1.00 0.00 C ATOM 1982 CZ3 TRP A 127 4.859 -8.854 1.767 1.00 0.00 C ATOM 1983 CH2 TRP A 127 5.121 -8.083 0.626 1.00 0.00 C ATOM 0 H TRP A 127 2.615 -7.100 4.750 1.00 0.00 H new ATOM 0 HA TRP A 127 3.857 -6.417 7.309 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.956 -5.783 6.327 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.655 -7.454 5.892 1.00 0.00 H new ATOM 0 HD1 TRP A 127 6.038 -3.985 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 127 6.112 -4.168 1.768 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.741 -8.909 3.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.670 -6.171 -0.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 4.586 -9.893 1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.047 -8.540 -0.350 1.00 0.00 H new ATOM 1994 N THR A 128 3.829 -3.900 6.574 1.00 0.00 N ATOM 1995 CA THR A 128 3.392 -2.529 6.342 1.00 0.00 C ATOM 1996 C THR A 128 4.564 -1.557 6.420 1.00 0.00 C ATOM 1997 O THR A 128 5.375 -1.623 7.343 1.00 0.00 O ATOM 1998 CB THR A 128 2.317 -2.102 7.359 1.00 0.00 C ATOM 1999 OG1 THR A 128 1.231 -3.036 7.345 1.00 0.00 O ATOM 2000 CG2 THR A 128 1.798 -0.707 7.045 1.00 0.00 C ATOM 0 H THR A 128 4.538 -3.999 7.301 1.00 0.00 H new ATOM 0 HA THR A 128 2.965 -2.499 5.339 1.00 0.00 H new ATOM 0 HB THR A 128 2.771 -2.088 8.350 1.00 0.00 H new ATOM 0 HG1 THR A 128 0.392 -2.560 7.170 1.00 0.00 H new ATOM 0 HG21 THR A 128 1.040 -0.428 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 128 2.622 0.005 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.360 -0.698 6.047 1.00 0.00 H new ATOM 2008 N GLN A 129 4.645 -0.656 5.447 1.00 0.00 N ATOM 2009 CA GLN A 129 5.719 0.329 5.407 1.00 0.00 C ATOM 2010 C GLN A 129 5.353 1.497 4.496 1.00 0.00 C ATOM 2011 O GLN A 129 4.484 1.375 3.634 1.00 0.00 O ATOM 2012 CB GLN A 129 7.018 -0.320 4.927 1.00 0.00 C ATOM 2013 CG GLN A 129 7.036 -0.615 3.436 1.00 0.00 C ATOM 2014 CD GLN A 129 8.347 -1.224 2.977 1.00 0.00 C ATOM 2015 OE1 GLN A 129 9.324 -0.514 2.736 1.00 0.00 O ATOM 2016 NE2 GLN A 129 8.374 -2.546 2.854 1.00 0.00 N ATOM 0 H GLN A 129 3.980 -0.588 4.676 1.00 0.00 H new ATOM 0 HA GLN A 129 5.864 0.712 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.854 0.337 5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.174 -1.249 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.219 -1.295 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.856 0.308 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 129 7.540 -3.095 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.228 -3.012 2.549 1.00 0.00 H new ATOM 2025 N TRP A 130 6.022 2.627 4.694 1.00 0.00 N ATOM 2026 CA TRP A 130 5.767 3.817 3.890 1.00 0.00 C ATOM 2027 C TRP A 130 6.586 3.791 2.604 1.00 0.00 C ATOM 2028 O TRP A 130 7.780 4.091 2.611 1.00 0.00 O ATOM 2029 CB TRP A 130 6.092 5.078 4.691 1.00 0.00 C ATOM 2030 CG TRP A 130 5.022 5.452 5.671 1.00 0.00 C ATOM 2031 CD1 TRP A 130 4.951 5.088 6.986 1.00 0.00 C ATOM 2032 CD2 TRP A 130 3.869 6.260 5.414 1.00 0.00 C ATOM 2033 NE1 TRP A 130 3.823 5.622 7.561 1.00 0.00 N ATOM 2034 CE2 TRP A 130 3.142 6.346 6.618 1.00 0.00 C ATOM 2035 CE3 TRP A 130 3.380 6.922 4.285 1.00 0.00 C ATOM 2036 CZ2 TRP A 130 1.955 7.065 6.721 1.00 0.00 C ATOM 2037 CZ3 TRP A 130 2.201 7.636 4.389 1.00 0.00 C ATOM 2038 CH2 TRP A 130 1.499 7.703 5.600 1.00 0.00 C ATOM 0 H TRP A 130 6.745 2.744 5.404 1.00 0.00 H new ATOM 0 HA TRP A 130 4.710 3.826 3.625 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.029 4.928 5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.249 5.907 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 130 5.675 4.471 7.498 1.00 0.00 H new ATOM 0 HE1 TRP A 130 3.539 5.499 8.533 1.00 0.00 H new ATOM 0 HE3 TRP A 130 3.914 6.877 3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.413 7.118 7.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 1.814 8.151 3.522 1.00 0.00 H new ATOM 0 HH2 TRP A 130 0.581 8.269 5.649 1.00 0.00 H new ATOM 2049 N TYR A 131 5.937 3.431 1.502 1.00 0.00 N ATOM 2050 CA TYR A 131 6.607 3.364 0.209 1.00 0.00 C ATOM 2051 C TYR A 131 6.818 4.761 -0.368 1.00 0.00 C ATOM 2052 O TYR A 131 5.884 5.385 -0.871 1.00 0.00 O ATOM 2053 CB TYR A 131 5.792 2.514 -0.768 1.00 0.00 C ATOM 2054 CG TYR A 131 5.533 1.108 -0.277 1.00 0.00 C ATOM 2055 CD1 TYR A 131 6.578 0.292 0.139 1.00 0.00 C ATOM 2056 CD2 TYR A 131 4.242 0.596 -0.227 1.00 0.00 C ATOM 2057 CE1 TYR A 131 6.345 -0.993 0.587 1.00 0.00 C ATOM 2058 CE2 TYR A 131 4.000 -0.688 0.222 1.00 0.00 C ATOM 2059 CZ TYR A 131 5.055 -1.479 0.627 1.00 0.00 C ATOM 2060 OH TYR A 131 4.819 -2.758 1.075 1.00 0.00 O ATOM 0 H TYR A 131 4.948 3.181 1.478 1.00 0.00 H new ATOM 0 HA TYR A 131 7.582 2.900 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 131 4.838 3.006 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 131 6.319 2.466 -1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.590 0.669 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.414 1.212 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 131 7.169 -1.615 0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 131 2.990 -1.070 0.256 1.00 0.00 H new ATOM 0 HH TYR A 131 3.864 -2.866 1.269 1.00 0.00 H new ATOM 2070 N ASP A 132 8.053 5.244 -0.293 1.00 0.00 N ATOM 2071 CA ASP A 132 8.390 6.566 -0.808 1.00 0.00 C ATOM 2072 C ASP A 132 8.231 6.614 -2.325 1.00 0.00 C ATOM 2073 O ASP A 132 8.915 5.895 -3.054 1.00 0.00 O ATOM 2074 CB ASP A 132 9.821 6.939 -0.421 1.00 0.00 C ATOM 2075 CG ASP A 132 10.847 5.997 -1.020 1.00 0.00 C ATOM 2076 OD1 ASP A 132 11.316 6.268 -2.145 1.00 0.00 O ATOM 2077 OD2 ASP A 132 11.182 4.990 -0.362 1.00 0.00 O ATOM 0 H ASP A 132 8.838 4.740 0.120 1.00 0.00 H new ATOM 0 HA ASP A 132 7.703 7.287 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.030 7.957 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.915 6.931 0.665 1.00 0.00 H new ATOM 2082 N LEU A 133 7.325 7.465 -2.793 1.00 0.00 N ATOM 2083 CA LEU A 133 7.075 7.607 -4.223 1.00 0.00 C ATOM 2084 C LEU A 133 8.314 8.132 -4.943 1.00 0.00 C ATOM 2085 O LEU A 133 9.055 8.956 -4.406 1.00 0.00 O ATOM 2086 CB LEU A 133 5.894 8.548 -4.464 1.00 0.00 C ATOM 2087 CG LEU A 133 4.579 8.161 -3.787 1.00 0.00 C ATOM 2088 CD1 LEU A 133 3.702 9.387 -3.584 1.00 0.00 C ATOM 2089 CD2 LEU A 133 3.846 7.109 -4.608 1.00 0.00 C ATOM 0 H LEU A 133 6.751 8.067 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 133 6.834 6.622 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.175 9.545 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.721 8.614 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 133 4.807 7.737 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.770 9.092 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.224 10.108 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.482 9.841 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.912 6.845 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 133 3.630 7.507 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.470 6.221 -4.702 1.00 0.00 H new ATOM 2101 N THR A 134 8.532 7.651 -6.163 1.00 0.00 N ATOM 2102 CA THR A 134 9.679 8.072 -6.957 1.00 0.00 C ATOM 2103 C THR A 134 9.256 8.471 -8.366 1.00 0.00 C ATOM 2104 O THR A 134 8.097 8.304 -8.746 1.00 0.00 O ATOM 2105 CB THR A 134 10.739 6.959 -7.047 1.00 0.00 C ATOM 2106 OG1 THR A 134 10.202 5.825 -7.737 1.00 0.00 O ATOM 2107 CG2 THR A 134 11.204 6.541 -5.660 1.00 0.00 C ATOM 0 H THR A 134 7.929 6.969 -6.623 1.00 0.00 H new ATOM 0 HA THR A 134 10.112 8.936 -6.453 1.00 0.00 H new ATOM 0 HB THR A 134 11.595 7.347 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 134 10.883 5.122 -7.791 1.00 0.00 H new ATOM 0 HG21 THR A 134 11.953 5.754 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.639 7.399 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 134 10.354 6.170 -5.088 1.00 0.00 H new ATOM 2115 N GLU A 135 10.202 8.997 -9.137 1.00 0.00 N ATOM 2116 CA GLU A 135 9.926 9.419 -10.505 1.00 0.00 C ATOM 2117 C GLU A 135 9.811 8.213 -11.433 1.00 0.00 C ATOM 2118 O GLU A 135 10.338 7.140 -11.142 1.00 0.00 O ATOM 2119 CB GLU A 135 11.025 10.358 -11.005 1.00 0.00 C ATOM 2120 CG GLU A 135 11.137 11.645 -10.205 1.00 0.00 C ATOM 2121 CD GLU A 135 12.133 12.620 -10.803 1.00 0.00 C ATOM 2122 OE1 GLU A 135 13.160 12.159 -11.344 1.00 0.00 O ATOM 2123 OE2 GLU A 135 11.886 13.841 -10.729 1.00 0.00 O ATOM 0 H GLU A 135 11.166 9.141 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 135 8.975 9.951 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.981 9.835 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.833 10.605 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 135 10.158 12.120 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 135 11.435 11.408 -9.183 1.00 0.00 H new ATOM 2130 N ASP A 136 9.117 8.399 -12.551 1.00 0.00 N ATOM 2131 CA ASP A 136 8.933 7.328 -13.523 1.00 0.00 C ATOM 2132 C ASP A 136 10.277 6.821 -14.035 1.00 0.00 C ATOM 2133 O ASP A 136 10.604 5.643 -13.890 1.00 0.00 O ATOM 2134 CB ASP A 136 8.077 7.814 -14.694 1.00 0.00 C ATOM 2135 CG ASP A 136 8.191 6.913 -15.907 1.00 0.00 C ATOM 2136 OD1 ASP A 136 7.472 5.892 -15.958 1.00 0.00 O ATOM 2137 OD2 ASP A 136 8.996 7.229 -16.807 1.00 0.00 O ATOM 0 H ASP A 136 8.673 9.281 -12.806 1.00 0.00 H new ATOM 0 HA ASP A 136 8.420 6.504 -13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.034 7.867 -14.381 1.00 0.00 H new ATOM 0 HB3 ASP A 136 8.379 8.825 -14.966 1.00 0.00 H new ATOM 2142 N SER A 137 11.052 7.718 -14.636 1.00 0.00 N ATOM 2143 CA SER A 137 12.360 7.361 -15.174 1.00 0.00 C ATOM 2144 C SER A 137 13.471 8.105 -14.440 1.00 0.00 C ATOM 2145 O SER A 137 13.269 9.211 -13.941 1.00 0.00 O ATOM 2146 CB SER A 137 12.422 7.675 -16.670 1.00 0.00 C ATOM 2147 OG SER A 137 11.940 6.588 -17.440 1.00 0.00 O ATOM 0 H SER A 137 10.797 8.697 -14.763 1.00 0.00 H new ATOM 0 HA SER A 137 12.506 6.291 -15.028 1.00 0.00 H new ATOM 0 HB2 SER A 137 11.831 8.566 -16.883 1.00 0.00 H new ATOM 0 HB3 SER A 137 13.450 7.899 -16.955 1.00 0.00 H new ATOM 0 HG SER A 137 10.960 6.576 -17.412 1.00 0.00 H new ATOM 2153 N GLY A 138 14.648 7.488 -14.379 1.00 0.00 N ATOM 2154 CA GLY A 138 15.775 8.105 -13.704 1.00 0.00 C ATOM 2155 C GLY A 138 17.045 8.050 -14.529 1.00 0.00 C ATOM 2156 O GLY A 138 17.314 8.923 -15.354 1.00 0.00 O ATOM 0 H GLY A 138 14.841 6.572 -14.785 1.00 0.00 H new ATOM 0 HA2 GLY A 138 15.536 9.145 -13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 138 15.943 7.604 -12.751 1.00 0.00 H new ATOM 2160 N PRO A 139 17.854 7.003 -14.308 1.00 0.00 N ATOM 2161 CA PRO A 139 19.117 6.812 -15.027 1.00 0.00 C ATOM 2162 C PRO A 139 18.901 6.461 -16.495 1.00 0.00 C ATOM 2163 O PRO A 139 18.327 5.421 -16.816 1.00 0.00 O ATOM 2164 CB PRO A 139 19.773 5.643 -14.288 1.00 0.00 C ATOM 2165 CG PRO A 139 18.638 4.893 -13.682 1.00 0.00 C ATOM 2166 CD PRO A 139 17.597 5.923 -13.340 1.00 0.00 C ATOM 0 HA PRO A 139 19.721 7.719 -15.038 1.00 0.00 H new ATOM 0 HB2 PRO A 139 20.344 5.014 -14.971 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.466 5.996 -13.525 1.00 0.00 H new ATOM 0 HG2 PRO A 139 18.242 4.154 -14.379 1.00 0.00 H new ATOM 0 HG3 PRO A 139 18.959 4.352 -12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.588 5.524 -13.442 1.00 0.00 H new ATOM 0 HD3 PRO A 139 17.699 6.272 -12.312 1.00 0.00 H new ATOM 2174 N SER A 140 19.367 7.335 -17.382 1.00 0.00 N ATOM 2175 CA SER A 140 19.221 7.118 -18.817 1.00 0.00 C ATOM 2176 C SER A 140 20.507 6.554 -19.414 1.00 0.00 C ATOM 2177 O SER A 140 21.470 7.286 -19.646 1.00 0.00 O ATOM 2178 CB SER A 140 18.852 8.428 -19.517 1.00 0.00 C ATOM 2179 OG SER A 140 17.457 8.667 -19.448 1.00 0.00 O ATOM 0 H SER A 140 19.848 8.199 -17.133 1.00 0.00 H new ATOM 0 HA SER A 140 18.421 6.394 -18.971 1.00 0.00 H new ATOM 0 HB2 SER A 140 19.389 9.256 -19.054 1.00 0.00 H new ATOM 0 HB3 SER A 140 19.166 8.388 -20.560 1.00 0.00 H new ATOM 0 HG SER A 140 17.247 9.510 -19.901 1.00 0.00 H new ATOM 2185 N SER A 141 20.515 5.248 -19.660 1.00 0.00 N ATOM 2186 CA SER A 141 21.683 4.584 -20.226 1.00 0.00 C ATOM 2187 C SER A 141 21.329 3.886 -21.536 1.00 0.00 C ATOM 2188 O SER A 141 21.970 4.105 -22.563 1.00 0.00 O ATOM 2189 CB SER A 141 22.251 3.569 -19.232 1.00 0.00 C ATOM 2190 OG SER A 141 23.595 3.247 -19.545 1.00 0.00 O ATOM 0 H SER A 141 19.726 4.629 -19.476 1.00 0.00 H new ATOM 0 HA SER A 141 22.438 5.343 -20.431 1.00 0.00 H new ATOM 0 HB2 SER A 141 22.197 3.975 -18.222 1.00 0.00 H new ATOM 0 HB3 SER A 141 21.644 2.664 -19.245 1.00 0.00 H new ATOM 0 HG SER A 141 23.936 2.598 -18.895 1.00 0.00 H new ATOM 2196 N GLY A 142 20.301 3.043 -21.492 1.00 0.00 N ATOM 2197 CA GLY A 142 19.879 2.325 -22.680 1.00 0.00 C ATOM 2198 C GLY A 142 19.194 3.225 -23.689 1.00 0.00 C ATOM 2199 O GLY A 142 19.071 2.873 -24.862 1.00 0.00 O ATOM 0 H GLY A 142 19.753 2.845 -20.655 1.00 0.00 H new ATOM 0 HA2 GLY A 142 20.747 1.857 -23.145 1.00 0.00 H new ATOM 0 HA3 GLY A 142 19.199 1.522 -22.393 1.00 0.00 H new TER 2203 GLY A 142