USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 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 36 ASN : amide:sc= 0.909 K(o=1.8,f=-1.4) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -115:sc= 0.896 (180deg=0) USER MOD Set 2.1: A 25 GLN : amide:sc= 1.68 K(o=2.1,f=-8.6!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -161:sc= 0.456 (180deg=-0.222) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0.373 K(o=0.37,f=-1.4) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 2:sc= 0.856 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.184 F(o=-1.4,f=-0.18) USER MOD Single : A 53 TYR OH : rot 15:sc= -0.263 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 36:sc= 0.691 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 65:sc= -0.481 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 73 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.13 K(o=1.1,f=-0.054) USER MOD Single : A 84 TYR OH : rot -14:sc= 0.325 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.06 X(o=0.06,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.380 -14.047 -15.328 1.00 0.00 N ATOM 2 CA ASP A 15 17.379 -13.712 -13.891 1.00 0.00 C ATOM 3 C ASP A 15 17.711 -14.845 -12.888 1.00 0.00 C ATOM 4 O ASP A 15 17.594 -14.651 -11.682 1.00 0.00 O ATOM 5 CB ASP A 15 16.122 -12.898 -13.552 1.00 0.00 C ATOM 6 CG ASP A 15 14.817 -13.621 -13.870 1.00 0.00 C ATOM 7 OD1 ASP A 15 14.367 -14.399 -13.001 1.00 0.00 O ATOM 8 OD2 ASP A 15 14.283 -13.360 -14.969 1.00 0.00 O ATOM 0 HA ASP A 15 18.259 -13.088 -13.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.138 -12.646 -12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.149 -11.958 -14.103 1.00 0.00 H new ATOM 13 N SER A 16 18.190 -15.991 -13.376 1.00 0.00 N ATOM 14 CA SER A 16 18.492 -17.250 -12.675 1.00 0.00 C ATOM 15 C SER A 16 19.993 -17.599 -12.682 1.00 0.00 C ATOM 16 O SER A 16 20.399 -18.645 -12.164 1.00 0.00 O ATOM 17 CB SER A 16 17.655 -18.380 -13.322 1.00 0.00 C ATOM 18 OG SER A 16 16.377 -18.384 -12.706 1.00 0.00 O ATOM 0 H SER A 16 18.398 -16.073 -14.371 1.00 0.00 H new ATOM 0 HA SER A 16 18.225 -17.132 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.560 -18.218 -14.396 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.146 -19.344 -13.187 1.00 0.00 H new ATOM 0 HG SER A 16 15.826 -19.092 -13.101 1.00 0.00 H new ATOM 24 N VAL A 17 20.835 -16.731 -13.257 1.00 0.00 N ATOM 25 CA VAL A 17 22.266 -16.999 -13.443 1.00 0.00 C ATOM 26 C VAL A 17 23.114 -15.783 -13.085 1.00 0.00 C ATOM 27 O VAL A 17 22.603 -14.669 -12.940 1.00 0.00 O ATOM 28 CB VAL A 17 22.535 -17.471 -14.884 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.535 -18.508 -15.393 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.562 -16.301 -15.870 1.00 0.00 C ATOM 0 H VAL A 17 20.541 -15.819 -13.608 1.00 0.00 H new ATOM 0 HA VAL A 17 22.556 -17.799 -12.761 1.00 0.00 H new ATOM 0 HB VAL A 17 23.515 -17.945 -14.834 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.791 -18.790 -16.414 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.568 -19.390 -14.754 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.531 -18.085 -15.375 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.755 -16.677 -16.875 1.00 0.00 H new ATOM 0 HG22 VAL A 17 21.600 -15.788 -15.852 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.350 -15.604 -15.586 1.00 0.00 H new ATOM 40 N ILE A 18 24.426 -15.991 -12.988 1.00 0.00 N ATOM 41 CA ILE A 18 25.395 -14.935 -12.720 1.00 0.00 C ATOM 42 C ILE A 18 26.603 -15.034 -13.652 1.00 0.00 C ATOM 43 O ILE A 18 26.958 -16.113 -14.149 1.00 0.00 O ATOM 44 CB ILE A 18 25.821 -14.936 -11.235 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.615 -16.205 -10.840 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.574 -14.761 -10.348 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.428 -16.037 -9.552 1.00 0.00 C ATOM 0 H ILE A 18 24.850 -16.913 -13.095 1.00 0.00 H new ATOM 0 HA ILE A 18 24.910 -13.980 -12.923 1.00 0.00 H new ATOM 0 HB ILE A 18 26.501 -14.098 -11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 18 25.920 -17.036 -10.717 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.289 -16.471 -11.654 1.00 0.00 H new ATOM 0 HG21 ILE A 18 24.871 -14.761 -9.299 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.087 -13.816 -10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 18 23.881 -15.582 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 18 27.959 -16.963 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 18 28.147 -15.227 -9.678 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.757 -15.801 -8.726 1.00 0.00 H new ATOM 59 N VAL A 19 27.245 -13.888 -13.844 1.00 0.00 N ATOM 60 CA VAL A 19 28.450 -13.706 -14.641 1.00 0.00 C ATOM 61 C VAL A 19 29.398 -12.778 -13.901 1.00 0.00 C ATOM 62 O VAL A 19 28.965 -11.916 -13.133 1.00 0.00 O ATOM 63 CB VAL A 19 28.089 -13.096 -16.014 1.00 0.00 C ATOM 64 CG1 VAL A 19 29.315 -13.034 -16.936 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.080 -13.975 -16.740 1.00 0.00 C ATOM 0 H VAL A 19 26.921 -13.016 -13.426 1.00 0.00 H new ATOM 0 HA VAL A 19 28.929 -14.672 -14.801 1.00 0.00 H new ATOM 0 HB VAL A 19 27.694 -12.100 -15.812 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.028 -12.600 -17.894 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.086 -12.417 -16.475 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.702 -14.041 -17.095 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.837 -13.530 -17.705 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.506 -14.966 -16.895 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.173 -14.059 -16.141 1.00 0.00 H new ATOM 75 N VAL A 20 30.691 -12.914 -14.180 1.00 0.00 N ATOM 76 CA VAL A 20 31.759 -12.092 -13.626 1.00 0.00 C ATOM 77 C VAL A 20 32.666 -11.622 -14.761 1.00 0.00 C ATOM 78 O VAL A 20 32.768 -12.282 -15.799 1.00 0.00 O ATOM 79 CB VAL A 20 32.543 -12.848 -12.523 1.00 0.00 C ATOM 80 CG1 VAL A 20 31.726 -13.948 -11.822 1.00 0.00 C ATOM 81 CG2 VAL A 20 33.869 -13.465 -13.001 1.00 0.00 C ATOM 0 H VAL A 20 31.035 -13.627 -14.823 1.00 0.00 H new ATOM 0 HA VAL A 20 31.327 -11.216 -13.141 1.00 0.00 H new ATOM 0 HB VAL A 20 32.764 -12.056 -11.808 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.342 -14.431 -11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 20 30.850 -13.505 -11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.407 -14.688 -12.556 1.00 0.00 H new ATOM 0 HG21 VAL A 20 34.354 -13.975 -12.169 1.00 0.00 H new ATOM 0 HG22 VAL A 20 33.671 -14.181 -13.799 1.00 0.00 H new ATOM 0 HG23 VAL A 20 34.523 -12.677 -13.375 1.00 0.00 H new ATOM 91 N ASP A 21 33.363 -10.515 -14.527 1.00 0.00 N ATOM 92 CA ASP A 21 34.349 -9.956 -15.442 1.00 0.00 C ATOM 93 C ASP A 21 35.662 -9.687 -14.700 1.00 0.00 C ATOM 94 O ASP A 21 35.680 -9.674 -13.464 1.00 0.00 O ATOM 95 CB ASP A 21 33.765 -8.691 -16.099 1.00 0.00 C ATOM 96 CG ASP A 21 34.116 -8.645 -17.588 1.00 0.00 C ATOM 97 OD1 ASP A 21 35.338 -8.651 -17.870 1.00 0.00 O ATOM 98 OD2 ASP A 21 33.168 -8.653 -18.406 1.00 0.00 O ATOM 0 H ASP A 21 33.254 -9.968 -13.673 1.00 0.00 H new ATOM 0 HA ASP A 21 34.579 -10.666 -16.236 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.682 -8.677 -15.975 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.154 -7.803 -15.601 1.00 0.00 H new ATOM 103 N ASN A 22 36.738 -9.452 -15.456 1.00 0.00 N ATOM 104 CA ASN A 22 38.114 -9.278 -14.979 1.00 0.00 C ATOM 105 C ASN A 22 38.656 -10.488 -14.186 1.00 0.00 C ATOM 106 O ASN A 22 39.408 -10.295 -13.229 1.00 0.00 O ATOM 107 CB ASN A 22 38.234 -7.969 -14.165 1.00 0.00 C ATOM 108 CG ASN A 22 37.617 -6.739 -14.811 1.00 0.00 C ATOM 109 OD1 ASN A 22 37.576 -6.588 -16.019 1.00 0.00 O ATOM 110 ND2 ASN A 22 37.126 -5.802 -14.031 1.00 0.00 N ATOM 0 H ASN A 22 36.670 -9.374 -16.471 1.00 0.00 H new ATOM 0 HA ASN A 22 38.746 -9.210 -15.865 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.765 -8.122 -13.193 1.00 0.00 H new ATOM 0 HB3 ASN A 22 39.290 -7.771 -13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 22 36.717 -4.961 -14.439 1.00 0.00 H new ATOM 0 HD22 ASN A 22 37.154 -5.916 -13.018 1.00 0.00 H new ATOM 117 N VAL A 23 38.297 -11.724 -14.558 1.00 0.00 N ATOM 118 CA VAL A 23 38.758 -12.971 -13.908 1.00 0.00 C ATOM 119 C VAL A 23 39.854 -13.686 -14.725 1.00 0.00 C ATOM 120 O VAL A 23 39.560 -14.606 -15.494 1.00 0.00 O ATOM 121 CB VAL A 23 37.573 -13.855 -13.454 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.617 -14.247 -14.584 1.00 0.00 C ATOM 123 CG2 VAL A 23 38.057 -15.131 -12.744 1.00 0.00 C ATOM 0 H VAL A 23 37.662 -11.895 -15.338 1.00 0.00 H new ATOM 0 HA VAL A 23 39.263 -12.706 -12.979 1.00 0.00 H new ATOM 0 HB VAL A 23 37.016 -13.228 -12.758 1.00 0.00 H new ATOM 0 HG11 VAL A 23 35.814 -14.866 -14.183 1.00 0.00 H new ATOM 0 HG12 VAL A 23 36.193 -13.347 -15.031 1.00 0.00 H new ATOM 0 HG13 VAL A 23 37.162 -14.807 -15.344 1.00 0.00 H new ATOM 0 HG21 VAL A 23 37.196 -15.727 -12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 23 38.678 -15.713 -13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 23 38.640 -14.859 -11.864 1.00 0.00 H new ATOM 133 N PRO A 24 41.137 -13.285 -14.574 1.00 0.00 N ATOM 134 CA PRO A 24 42.253 -13.961 -15.220 1.00 0.00 C ATOM 135 C PRO A 24 42.490 -15.360 -14.631 1.00 0.00 C ATOM 136 O PRO A 24 42.168 -15.646 -13.476 1.00 0.00 O ATOM 137 CB PRO A 24 43.473 -13.053 -15.027 1.00 0.00 C ATOM 138 CG PRO A 24 43.164 -12.358 -13.705 1.00 0.00 C ATOM 139 CD PRO A 24 41.649 -12.179 -13.774 1.00 0.00 C ATOM 0 HA PRO A 24 42.049 -14.123 -16.278 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.400 -13.624 -14.978 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.581 -12.340 -15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.463 -12.963 -12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.682 -11.403 -13.617 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.212 -12.187 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.392 -11.221 -14.227 1.00 0.00 H new ATOM 147 N GLN A 25 43.107 -16.232 -15.433 1.00 0.00 N ATOM 148 CA GLN A 25 43.589 -17.538 -14.974 1.00 0.00 C ATOM 149 C GLN A 25 44.895 -17.402 -14.165 1.00 0.00 C ATOM 150 O GLN A 25 45.550 -16.358 -14.191 1.00 0.00 O ATOM 151 CB GLN A 25 43.753 -18.456 -16.190 1.00 0.00 C ATOM 152 CG GLN A 25 43.671 -19.952 -15.842 1.00 0.00 C ATOM 153 CD GLN A 25 43.403 -20.752 -17.109 1.00 0.00 C ATOM 154 OE1 GLN A 25 42.296 -21.202 -17.358 1.00 0.00 O ATOM 155 NE2 GLN A 25 44.363 -20.862 -18.003 1.00 0.00 N ATOM 0 H GLN A 25 43.287 -16.052 -16.421 1.00 0.00 H new ATOM 0 HA GLN A 25 42.860 -17.981 -14.295 1.00 0.00 H new ATOM 0 HB2 GLN A 25 42.981 -18.218 -16.922 1.00 0.00 H new ATOM 0 HB3 GLN A 25 44.714 -18.253 -16.662 1.00 0.00 H new ATOM 0 HG2 GLN A 25 44.602 -20.281 -15.381 1.00 0.00 H new ATOM 0 HG3 GLN A 25 42.877 -20.125 -15.115 1.00 0.00 H new ATOM 0 HE21 GLN A 25 45.291 -20.489 -17.803 1.00 0.00 H new ATOM 0 HE22 GLN A 25 44.179 -21.320 -18.895 1.00 0.00 H new ATOM 164 N VAL A 26 45.284 -18.474 -13.467 1.00 0.00 N ATOM 165 CA VAL A 26 46.457 -18.569 -12.590 1.00 0.00 C ATOM 166 C VAL A 26 47.190 -19.888 -12.850 1.00 0.00 C ATOM 167 O VAL A 26 46.647 -20.791 -13.489 1.00 0.00 O ATOM 168 CB VAL A 26 46.041 -18.454 -11.103 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.447 -17.080 -10.774 1.00 0.00 C ATOM 170 CG2 VAL A 26 45.049 -19.555 -10.695 1.00 0.00 C ATOM 0 H VAL A 26 44.760 -19.348 -13.500 1.00 0.00 H new ATOM 0 HA VAL A 26 47.132 -17.742 -12.811 1.00 0.00 H new ATOM 0 HB VAL A 26 46.958 -18.581 -10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 26 45.170 -17.046 -9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 26 46.186 -16.305 -10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.562 -16.910 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.785 -19.435 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 26 44.150 -19.479 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.508 -20.532 -10.845 1.00 0.00 H new ATOM 180 N GLY A 27 48.418 -19.999 -12.342 1.00 0.00 N ATOM 181 CA GLY A 27 49.246 -21.194 -12.499 1.00 0.00 C ATOM 182 C GLY A 27 48.828 -22.371 -11.599 1.00 0.00 C ATOM 183 O GLY A 27 47.762 -22.349 -10.969 1.00 0.00 O ATOM 0 H GLY A 27 48.869 -19.257 -11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 49.208 -21.515 -13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.283 -20.936 -12.283 1.00 0.00 H new ATOM 187 N PRO A 28 49.659 -23.436 -11.558 1.00 0.00 N ATOM 188 CA PRO A 28 49.406 -24.624 -10.754 1.00 0.00 C ATOM 189 C PRO A 28 49.397 -24.302 -9.253 1.00 0.00 C ATOM 190 O PRO A 28 49.761 -23.205 -8.832 1.00 0.00 O ATOM 191 CB PRO A 28 50.500 -25.629 -11.126 1.00 0.00 C ATOM 192 CG PRO A 28 51.653 -24.736 -11.577 1.00 0.00 C ATOM 193 CD PRO A 28 50.939 -23.558 -12.241 1.00 0.00 C ATOM 0 HA PRO A 28 48.418 -25.037 -10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.781 -26.252 -10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 28 50.176 -26.301 -11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.266 -24.413 -10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.314 -25.252 -12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.523 -22.642 -12.145 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.798 -23.736 -13.307 1.00 0.00 H new ATOM 201 N ASP A 29 48.951 -25.271 -8.444 1.00 0.00 N ATOM 202 CA ASP A 29 48.838 -25.144 -6.979 1.00 0.00 C ATOM 203 C ASP A 29 47.850 -24.035 -6.539 1.00 0.00 C ATOM 204 O ASP A 29 47.818 -23.644 -5.372 1.00 0.00 O ATOM 205 CB ASP A 29 50.248 -24.958 -6.371 1.00 0.00 C ATOM 206 CG ASP A 29 50.448 -25.615 -5.000 1.00 0.00 C ATOM 207 OD1 ASP A 29 49.439 -26.034 -4.387 1.00 0.00 O ATOM 208 OD2 ASP A 29 51.630 -25.736 -4.607 1.00 0.00 O ATOM 0 H ASP A 29 48.652 -26.182 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 29 48.407 -26.067 -6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.984 -25.365 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.452 -23.891 -6.280 1.00 0.00 H new ATOM 213 N ARG A 30 47.058 -23.499 -7.480 1.00 0.00 N ATOM 214 CA ARG A 30 46.079 -22.422 -7.284 1.00 0.00 C ATOM 215 C ARG A 30 44.925 -22.454 -8.297 1.00 0.00 C ATOM 216 O ARG A 30 43.812 -22.076 -7.936 1.00 0.00 O ATOM 217 CB ARG A 30 46.847 -21.089 -7.288 1.00 0.00 C ATOM 218 CG ARG A 30 45.976 -19.826 -7.168 1.00 0.00 C ATOM 219 CD ARG A 30 46.500 -18.833 -6.125 1.00 0.00 C ATOM 220 NE ARG A 30 46.139 -17.449 -6.485 1.00 0.00 N ATOM 221 CZ ARG A 30 46.392 -16.349 -5.778 1.00 0.00 C ATOM 222 NH1 ARG A 30 46.889 -16.395 -4.561 1.00 0.00 N ATOM 223 NH2 ARG A 30 46.165 -15.164 -6.301 1.00 0.00 N ATOM 0 H ARG A 30 47.085 -23.822 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 30 45.579 -22.557 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.560 -21.098 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.425 -21.025 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 30 45.926 -19.332 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 30 44.959 -20.117 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 30 46.088 -19.077 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 30 47.584 -18.921 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 30 45.644 -17.321 -7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 30 47.094 -17.295 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 30 47.069 -15.530 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 30 45.795 -15.087 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 30 46.359 -14.322 -5.759 1.00 0.00 H new ATOM 237 N LEU A 31 45.127 -22.972 -9.520 1.00 0.00 N ATOM 238 CA LEU A 31 44.068 -23.091 -10.540 1.00 0.00 C ATOM 239 C LEU A 31 42.777 -23.778 -10.055 1.00 0.00 C ATOM 240 O LEU A 31 41.684 -23.423 -10.484 1.00 0.00 O ATOM 241 CB LEU A 31 44.631 -23.784 -11.797 1.00 0.00 C ATOM 242 CG LEU A 31 44.726 -25.330 -11.744 1.00 0.00 C ATOM 243 CD1 LEU A 31 45.238 -25.840 -13.092 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.680 -25.833 -10.654 1.00 0.00 C ATOM 0 H LEU A 31 46.033 -23.322 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 31 43.762 -22.073 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 31 44.008 -23.508 -12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.627 -23.386 -11.990 1.00 0.00 H new ATOM 0 HG LEU A 31 43.728 -25.704 -11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.309 -26.927 -13.066 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.548 -25.540 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.223 -25.417 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.704 -26.923 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.682 -25.446 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.333 -25.489 -9.680 1.00 0.00 H new ATOM 256 N GLU A 32 42.905 -24.744 -9.141 1.00 0.00 N ATOM 257 CA GLU A 32 41.794 -25.492 -8.547 1.00 0.00 C ATOM 258 C GLU A 32 40.946 -24.557 -7.685 1.00 0.00 C ATOM 259 O GLU A 32 39.722 -24.500 -7.840 1.00 0.00 O ATOM 260 CB GLU A 32 42.338 -26.636 -7.674 1.00 0.00 C ATOM 261 CG GLU A 32 43.109 -27.705 -8.469 1.00 0.00 C ATOM 262 CD GLU A 32 42.309 -29.002 -8.579 1.00 0.00 C ATOM 263 OE1 GLU A 32 41.278 -28.972 -9.287 1.00 0.00 O ATOM 264 OE2 GLU A 32 42.727 -29.990 -7.936 1.00 0.00 O ATOM 0 H GLU A 32 43.814 -25.036 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 32 41.181 -25.909 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 32 42.995 -26.219 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.507 -27.112 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 43.333 -27.328 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 32 44.064 -27.905 -7.982 1.00 0.00 H new ATOM 271 N LYS A 33 41.626 -23.768 -6.832 1.00 0.00 N ATOM 272 CA LYS A 33 41.034 -22.743 -5.970 1.00 0.00 C ATOM 273 C LYS A 33 40.174 -21.788 -6.798 1.00 0.00 C ATOM 274 O LYS A 33 39.101 -21.445 -6.334 1.00 0.00 O ATOM 275 CB LYS A 33 42.083 -21.996 -5.116 1.00 0.00 C ATOM 276 CG LYS A 33 43.042 -22.914 -4.336 1.00 0.00 C ATOM 277 CD LYS A 33 42.334 -23.832 -3.314 1.00 0.00 C ATOM 278 CE LYS A 33 42.859 -23.618 -1.891 1.00 0.00 C ATOM 279 NZ LYS A 33 44.149 -24.298 -1.659 1.00 0.00 N ATOM 0 H LYS A 33 42.638 -23.834 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 33 40.388 -23.250 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 33 42.670 -21.349 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.564 -21.349 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.594 -23.532 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 33 43.773 -22.299 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.261 -23.641 -3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 33 42.479 -24.874 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.976 -22.550 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.123 -23.986 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.463 -24.124 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.034 -25.321 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.860 -23.929 -2.322 1.00 0.00 H new ATOM 293 N LEU A 34 40.558 -21.457 -8.041 1.00 0.00 N ATOM 294 CA LEU A 34 39.809 -20.574 -8.944 1.00 0.00 C ATOM 295 C LEU A 34 38.311 -20.936 -9.040 1.00 0.00 C ATOM 296 O LEU A 34 37.459 -20.062 -8.897 1.00 0.00 O ATOM 297 CB LEU A 34 40.473 -20.593 -10.334 1.00 0.00 C ATOM 298 CG LEU A 34 40.269 -19.309 -11.161 1.00 0.00 C ATOM 299 CD1 LEU A 34 41.214 -18.195 -10.700 1.00 0.00 C ATOM 300 CD2 LEU A 34 40.589 -19.630 -12.622 1.00 0.00 C ATOM 0 H LEU A 34 41.422 -21.807 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 34 39.843 -19.567 -8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 41.542 -20.763 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 40.080 -21.439 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 34 39.241 -18.970 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 34 41.046 -17.303 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 34 41.023 -17.966 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 34 42.247 -18.522 -10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 34 40.452 -18.735 -13.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 41.622 -19.968 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 34 39.921 -20.415 -12.977 1.00 0.00 H new ATOM 312 N LYS A 35 37.984 -22.221 -9.274 1.00 0.00 N ATOM 313 CA LYS A 35 36.597 -22.727 -9.303 1.00 0.00 C ATOM 314 C LYS A 35 36.129 -23.227 -7.930 1.00 0.00 C ATOM 315 O LYS A 35 34.939 -23.133 -7.623 1.00 0.00 O ATOM 316 CB LYS A 35 36.452 -23.761 -10.439 1.00 0.00 C ATOM 317 CG LYS A 35 35.100 -24.502 -10.492 1.00 0.00 C ATOM 318 CD LYS A 35 35.057 -25.748 -9.579 1.00 0.00 C ATOM 319 CE LYS A 35 34.615 -27.010 -10.337 1.00 0.00 C ATOM 320 NZ LYS A 35 35.198 -28.228 -9.730 1.00 0.00 N ATOM 0 H LYS A 35 38.681 -22.944 -9.450 1.00 0.00 H new ATOM 0 HA LYS A 35 35.917 -21.905 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.606 -23.253 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.248 -24.499 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.305 -23.816 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 35 34.898 -24.804 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.044 -25.913 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.372 -25.566 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.527 -27.081 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.922 -26.937 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.884 -29.065 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 36.236 -28.168 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.885 -28.307 -8.741 1.00 0.00 H new ATOM 334 N ASN A 36 37.039 -23.709 -7.077 1.00 0.00 N ATOM 335 CA ASN A 36 36.711 -24.090 -5.701 1.00 0.00 C ATOM 336 C ASN A 36 36.146 -22.906 -4.909 1.00 0.00 C ATOM 337 O ASN A 36 35.012 -23.004 -4.444 1.00 0.00 O ATOM 338 CB ASN A 36 37.930 -24.723 -5.003 1.00 0.00 C ATOM 339 CG ASN A 36 37.769 -26.213 -4.769 1.00 0.00 C ATOM 340 OD1 ASN A 36 37.890 -26.706 -3.660 1.00 0.00 O ATOM 341 ND2 ASN A 36 37.489 -26.979 -5.803 1.00 0.00 N ATOM 0 H ASN A 36 38.020 -23.845 -7.321 1.00 0.00 H new ATOM 0 HA ASN A 36 35.926 -24.845 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.820 -24.550 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.093 -24.226 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 36 37.373 -27.984 -5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 36 37.388 -26.567 -6.730 1.00 0.00 H new ATOM 348 N VAL A 37 36.884 -21.789 -4.795 1.00 0.00 N ATOM 349 CA VAL A 37 36.482 -20.582 -4.054 1.00 0.00 C ATOM 350 C VAL A 37 35.096 -20.119 -4.477 1.00 0.00 C ATOM 351 O VAL A 37 34.314 -19.738 -3.615 1.00 0.00 O ATOM 352 CB VAL A 37 37.491 -19.411 -4.145 1.00 0.00 C ATOM 353 CG1 VAL A 37 38.903 -19.811 -3.698 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.561 -18.702 -5.509 1.00 0.00 C ATOM 0 H VAL A 37 37.803 -21.699 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 37 36.465 -20.882 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 37 37.080 -18.684 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.568 -18.952 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 37 38.875 -20.148 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.270 -20.618 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.297 -17.899 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 37 37.852 -19.419 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.584 -18.285 -5.753 1.00 0.00 H new ATOM 364 N ILE A 38 34.757 -20.242 -5.768 1.00 0.00 N ATOM 365 CA ILE A 38 33.426 -19.966 -6.307 1.00 0.00 C ATOM 366 C ILE A 38 32.358 -20.774 -5.555 1.00 0.00 C ATOM 367 O ILE A 38 31.355 -20.208 -5.122 1.00 0.00 O ATOM 368 CB ILE A 38 33.382 -20.133 -7.852 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.422 -18.747 -8.536 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.113 -20.845 -8.345 1.00 0.00 C ATOM 371 CD1 ILE A 38 34.797 -18.088 -8.468 1.00 0.00 C ATOM 0 H ILE A 38 35.421 -20.544 -6.481 1.00 0.00 H new ATOM 0 HA ILE A 38 33.188 -18.917 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 38 34.249 -20.740 -8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.128 -18.855 -9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 32.688 -18.094 -8.064 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.143 -20.931 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.060 -21.840 -7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.235 -20.270 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 38 34.761 -17.119 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 38 35.084 -17.951 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.530 -18.723 -8.965 1.00 0.00 H new ATOM 383 N HIS A 39 32.565 -22.083 -5.352 1.00 0.00 N ATOM 384 CA HIS A 39 31.610 -22.925 -4.619 1.00 0.00 C ATOM 385 C HIS A 39 31.478 -22.539 -3.149 1.00 0.00 C ATOM 386 O HIS A 39 30.393 -22.708 -2.601 1.00 0.00 O ATOM 387 CB HIS A 39 31.924 -24.420 -4.755 1.00 0.00 C ATOM 388 CG HIS A 39 31.400 -24.975 -6.049 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.303 -25.806 -6.177 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.846 -24.664 -7.301 1.00 0.00 C ATOM 391 CE1 HIS A 39 30.095 -26.001 -7.492 1.00 0.00 C ATOM 392 NE2 HIS A 39 31.020 -25.317 -8.189 1.00 0.00 N ATOM 0 H HIS A 39 33.389 -22.583 -5.687 1.00 0.00 H new ATOM 0 HA HIS A 39 30.645 -22.738 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 39 33.002 -24.573 -4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.483 -24.963 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.684 -24.029 -7.548 1.00 0.00 H new ATOM 0 HE1 HIS A 39 29.311 -26.609 -7.919 1.00 0.00 H new ATOM 0 HE2 HIS A 39 31.097 -25.287 -9.206 1.00 0.00 H new ATOM 401 N LYS A 40 32.544 -22.023 -2.516 1.00 0.00 N ATOM 402 CA LYS A 40 32.521 -21.616 -1.104 1.00 0.00 C ATOM 403 C LYS A 40 31.950 -20.210 -0.922 1.00 0.00 C ATOM 404 O LYS A 40 31.028 -20.044 -0.124 1.00 0.00 O ATOM 405 CB LYS A 40 33.903 -21.717 -0.448 1.00 0.00 C ATOM 406 CG LYS A 40 34.402 -23.162 -0.288 1.00 0.00 C ATOM 407 CD LYS A 40 35.076 -23.689 -1.559 1.00 0.00 C ATOM 408 CE LYS A 40 36.061 -24.831 -1.311 1.00 0.00 C ATOM 409 NZ LYS A 40 35.647 -26.064 -2.005 1.00 0.00 N ATOM 0 H LYS A 40 33.446 -21.877 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 40 31.859 -22.319 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.622 -21.157 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 40 33.866 -21.243 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.108 -23.211 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.562 -23.807 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 40 34.307 -24.030 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.602 -22.868 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.054 -24.537 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.135 -25.023 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.417 -26.797 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.809 -25.869 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.423 -26.398 -2.612 1.00 0.00 H new ATOM 423 N ILE A 41 32.428 -19.217 -1.679 1.00 0.00 N ATOM 424 CA ILE A 41 31.939 -17.836 -1.581 1.00 0.00 C ATOM 425 C ILE A 41 30.436 -17.735 -1.807 1.00 0.00 C ATOM 426 O ILE A 41 29.761 -16.947 -1.147 1.00 0.00 O ATOM 427 CB ILE A 41 32.667 -16.905 -2.566 1.00 0.00 C ATOM 428 CG1 ILE A 41 32.461 -15.436 -2.163 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.302 -17.139 -4.043 1.00 0.00 C ATOM 430 CD1 ILE A 41 31.381 -14.616 -2.885 1.00 0.00 C ATOM 0 H ILE A 41 33.162 -19.346 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 41 32.154 -17.515 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 41 33.726 -17.154 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 41 32.234 -15.415 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 41 33.412 -14.920 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.858 -16.442 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.556 -18.161 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.233 -16.979 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 41 31.365 -13.603 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.603 -14.580 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 41 30.408 -15.082 -2.733 1.00 0.00 H new ATOM 442 N PHE A 42 29.925 -18.541 -2.742 1.00 0.00 N ATOM 443 CA PHE A 42 28.519 -18.542 -3.093 1.00 0.00 C ATOM 444 C PHE A 42 27.708 -19.554 -2.266 1.00 0.00 C ATOM 445 O PHE A 42 26.487 -19.625 -2.431 1.00 0.00 O ATOM 446 CB PHE A 42 28.372 -18.701 -4.612 1.00 0.00 C ATOM 447 CG PHE A 42 28.827 -17.499 -5.433 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.247 -16.237 -5.223 1.00 0.00 C ATOM 449 CD2 PHE A 42 29.759 -17.648 -6.480 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.599 -15.137 -6.018 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.113 -16.550 -7.286 1.00 0.00 C ATOM 452 CZ PHE A 42 29.525 -15.290 -7.056 1.00 0.00 C ATOM 0 H PHE A 42 30.484 -19.209 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 42 28.080 -17.580 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 42 28.943 -19.574 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.326 -18.904 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.518 -16.112 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.206 -18.614 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 42 28.155 -14.171 -5.829 1.00 0.00 H new ATOM 0 HE2 PHE A 42 30.835 -16.673 -8.080 1.00 0.00 H new ATOM 0 HZ PHE A 42 29.788 -14.447 -7.678 1.00 0.00 H new ATOM 462 N SER A 43 28.360 -20.278 -1.343 1.00 0.00 N ATOM 463 CA SER A 43 27.761 -21.257 -0.442 1.00 0.00 C ATOM 464 C SER A 43 26.885 -20.586 0.614 1.00 0.00 C ATOM 465 O SER A 43 25.810 -21.079 0.940 1.00 0.00 O ATOM 466 CB SER A 43 28.840 -22.077 0.277 1.00 0.00 C ATOM 467 OG SER A 43 28.312 -23.332 0.650 1.00 0.00 O ATOM 0 H SER A 43 29.366 -20.187 -1.203 1.00 0.00 H new ATOM 0 HA SER A 43 27.146 -21.912 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.702 -22.214 -0.376 1.00 0.00 H new ATOM 0 HB3 SER A 43 29.190 -21.542 1.160 1.00 0.00 H new ATOM 0 HG SER A 43 29.003 -23.855 1.108 1.00 0.00 H new ATOM 473 N LYS A 44 27.295 -19.411 1.129 1.00 0.00 N ATOM 474 CA LYS A 44 26.506 -18.679 2.142 1.00 0.00 C ATOM 475 C LYS A 44 25.100 -18.304 1.647 1.00 0.00 C ATOM 476 O LYS A 44 24.189 -18.148 2.455 1.00 0.00 O ATOM 477 CB LYS A 44 27.258 -17.434 2.662 1.00 0.00 C ATOM 478 CG LYS A 44 27.675 -16.481 1.532 1.00 0.00 C ATOM 479 CD LYS A 44 28.320 -15.182 2.046 1.00 0.00 C ATOM 480 CE LYS A 44 29.802 -15.084 1.667 1.00 0.00 C ATOM 481 NZ LYS A 44 30.674 -15.777 2.636 1.00 0.00 N ATOM 0 H LYS A 44 28.164 -18.949 0.862 1.00 0.00 H new ATOM 0 HA LYS A 44 26.374 -19.369 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.623 -16.899 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 44 28.145 -17.752 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.377 -16.993 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.799 -16.232 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.784 -14.325 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.220 -15.132 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.951 -15.513 0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.091 -14.035 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.666 -15.684 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.553 -15.352 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.418 -16.784 2.675 1.00 0.00 H new ATOM 495 N PHE A 45 24.927 -18.197 0.323 1.00 0.00 N ATOM 496 CA PHE A 45 23.647 -17.896 -0.324 1.00 0.00 C ATOM 497 C PHE A 45 22.862 -19.165 -0.715 1.00 0.00 C ATOM 498 O PHE A 45 21.727 -19.035 -1.171 1.00 0.00 O ATOM 499 CB PHE A 45 23.875 -17.009 -1.561 1.00 0.00 C ATOM 500 CG PHE A 45 24.948 -15.943 -1.407 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.818 -14.904 -0.473 1.00 0.00 C ATOM 502 CD2 PHE A 45 26.118 -16.029 -2.180 1.00 0.00 C ATOM 503 CE1 PHE A 45 25.845 -13.949 -0.323 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.157 -15.097 -2.013 1.00 0.00 C ATOM 505 CZ PHE A 45 27.015 -14.046 -1.090 1.00 0.00 C ATOM 0 H PHE A 45 25.691 -18.320 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 45 23.039 -17.361 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.140 -17.649 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.935 -16.520 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.927 -14.835 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.220 -16.819 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.730 -13.141 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 45 28.063 -15.188 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.803 -13.317 -0.972 1.00 0.00 H new ATOM 515 N GLY A 46 23.443 -20.373 -0.582 1.00 0.00 N ATOM 516 CA GLY A 46 22.825 -21.649 -0.962 1.00 0.00 C ATOM 517 C GLY A 46 23.813 -22.614 -1.636 1.00 0.00 C ATOM 518 O GLY A 46 24.985 -22.656 -1.290 1.00 0.00 O ATOM 0 H GLY A 46 24.380 -20.486 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.409 -22.124 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.993 -21.457 -1.640 1.00 0.00 H new ATOM 522 N LYS A 47 23.358 -23.409 -2.612 1.00 0.00 N ATOM 523 CA LYS A 47 24.216 -24.312 -3.395 1.00 0.00 C ATOM 524 C LYS A 47 24.153 -23.978 -4.892 1.00 0.00 C ATOM 525 O LYS A 47 23.075 -23.701 -5.422 1.00 0.00 O ATOM 526 CB LYS A 47 23.804 -25.766 -3.105 1.00 0.00 C ATOM 527 CG LYS A 47 24.926 -26.757 -3.470 1.00 0.00 C ATOM 528 CD LYS A 47 25.993 -26.866 -2.363 1.00 0.00 C ATOM 529 CE LYS A 47 27.383 -27.150 -2.948 1.00 0.00 C ATOM 530 NZ LYS A 47 28.395 -27.235 -1.875 1.00 0.00 N ATOM 0 H LYS A 47 22.376 -23.445 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 47 25.256 -24.180 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.555 -25.870 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.904 -26.010 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.494 -27.741 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.400 -26.440 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.021 -25.939 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.719 -27.661 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.362 -28.084 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.655 -26.362 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.328 -27.428 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.427 -26.334 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 28.143 -28.003 -1.220 1.00 0.00 H new ATOM 544 N ILE A 48 25.305 -24.002 -5.570 1.00 0.00 N ATOM 545 CA ILE A 48 25.409 -23.815 -7.024 1.00 0.00 C ATOM 546 C ILE A 48 25.320 -25.178 -7.716 1.00 0.00 C ATOM 547 O ILE A 48 25.983 -26.123 -7.286 1.00 0.00 O ATOM 548 CB ILE A 48 26.736 -23.128 -7.413 1.00 0.00 C ATOM 549 CG1 ILE A 48 27.009 -21.882 -6.544 1.00 0.00 C ATOM 550 CG2 ILE A 48 26.664 -22.702 -8.883 1.00 0.00 C ATOM 551 CD1 ILE A 48 28.088 -22.122 -5.491 1.00 0.00 C ATOM 0 H ILE A 48 26.207 -24.154 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 48 24.589 -23.172 -7.344 1.00 0.00 H new ATOM 0 HB ILE A 48 27.546 -23.839 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.312 -21.055 -7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.086 -21.580 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 48 27.597 -22.216 -9.167 1.00 0.00 H new ATOM 0 HG22 ILE A 48 26.507 -23.580 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 48 25.836 -22.006 -9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.238 -21.212 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.776 -22.929 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 48 29.021 -22.396 -5.982 1.00 0.00 H new ATOM 563 N THR A 49 24.543 -25.265 -8.800 1.00 0.00 N ATOM 564 CA THR A 49 24.377 -26.499 -9.583 1.00 0.00 C ATOM 565 C THR A 49 25.061 -26.488 -10.955 1.00 0.00 C ATOM 566 O THR A 49 25.203 -27.580 -11.510 1.00 0.00 O ATOM 567 CB THR A 49 22.891 -26.861 -9.756 1.00 0.00 C ATOM 568 OG1 THR A 49 22.785 -27.970 -10.628 1.00 0.00 O ATOM 569 CG2 THR A 49 22.070 -25.675 -10.280 1.00 0.00 C ATOM 0 H THR A 49 24.007 -24.477 -9.163 1.00 0.00 H new ATOM 0 HA THR A 49 24.884 -27.261 -8.991 1.00 0.00 H new ATOM 0 HB THR A 49 22.481 -27.120 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.682 -28.270 -10.887 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.027 -25.974 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.139 -24.845 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.460 -25.362 -11.249 1.00 0.00 H new ATOM 577 N ASN A 50 25.455 -25.330 -11.508 1.00 0.00 N ATOM 578 CA ASN A 50 26.175 -25.233 -12.783 1.00 0.00 C ATOM 579 C ASN A 50 27.472 -24.437 -12.625 1.00 0.00 C ATOM 580 O ASN A 50 27.578 -23.613 -11.720 1.00 0.00 O ATOM 581 CB ASN A 50 25.292 -24.507 -13.804 1.00 0.00 C ATOM 582 CG ASN A 50 24.098 -25.326 -14.260 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.951 -25.168 -13.629 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.190 -26.108 -15.189 1.00 0.00 N flip ATOM 0 H ASN A 50 25.279 -24.424 -11.074 1.00 0.00 H new ATOM 0 HA ASN A 50 26.413 -26.243 -13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.937 -23.573 -13.367 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.895 -24.244 -14.673 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.081 -26.224 -15.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.376 -26.647 -15.485 1.00 0.00 H new ATOM 591 N ASP A 51 28.437 -24.643 -13.525 1.00 0.00 N ATOM 592 CA ASP A 51 29.747 -23.994 -13.460 1.00 0.00 C ATOM 593 C ASP A 51 30.526 -24.108 -14.780 1.00 0.00 C ATOM 594 O ASP A 51 30.905 -25.207 -15.182 1.00 0.00 O ATOM 595 CB ASP A 51 30.562 -24.585 -12.292 1.00 0.00 C ATOM 596 CG ASP A 51 30.337 -26.073 -11.965 1.00 0.00 C ATOM 597 OD1 ASP A 51 30.250 -26.913 -12.891 1.00 0.00 O ATOM 598 OD2 ASP A 51 30.282 -26.367 -10.755 1.00 0.00 O ATOM 0 H ASP A 51 28.330 -25.269 -14.323 1.00 0.00 H new ATOM 0 HA ASP A 51 29.581 -22.930 -13.288 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.620 -24.443 -12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.341 -24.004 -11.397 1.00 0.00 H new ATOM 603 N PHE A 52 30.802 -22.985 -15.455 1.00 0.00 N ATOM 604 CA PHE A 52 31.525 -22.979 -16.726 1.00 0.00 C ATOM 605 C PHE A 52 32.656 -21.953 -16.730 1.00 0.00 C ATOM 606 O PHE A 52 32.465 -20.768 -16.428 1.00 0.00 O ATOM 607 CB PHE A 52 30.564 -22.713 -17.882 1.00 0.00 C ATOM 608 CG PHE A 52 29.359 -23.632 -17.905 1.00 0.00 C ATOM 609 CD1 PHE A 52 29.420 -24.869 -18.574 1.00 0.00 C ATOM 610 CD2 PHE A 52 28.181 -23.260 -17.235 1.00 0.00 C ATOM 611 CE1 PHE A 52 28.300 -25.716 -18.592 1.00 0.00 C ATOM 612 CE2 PHE A 52 27.057 -24.103 -17.270 1.00 0.00 C ATOM 613 CZ PHE A 52 27.116 -25.333 -17.939 1.00 0.00 C ATOM 0 H PHE A 52 30.529 -22.057 -15.133 1.00 0.00 H new ATOM 0 HA PHE A 52 31.973 -23.964 -16.854 1.00 0.00 H new ATOM 0 HB2 PHE A 52 30.220 -21.680 -17.825 1.00 0.00 H new ATOM 0 HB3 PHE A 52 31.105 -22.817 -18.822 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.330 -25.167 -19.074 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.139 -22.327 -16.693 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.349 -26.663 -19.109 1.00 0.00 H new ATOM 0 HE2 PHE A 52 26.144 -23.801 -16.779 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.255 -25.984 -17.953 1.00 0.00 H new ATOM 623 N TYR A 53 33.839 -22.441 -17.118 1.00 0.00 N ATOM 624 CA TYR A 53 35.100 -21.699 -17.184 1.00 0.00 C ATOM 625 C TYR A 53 35.619 -21.725 -18.633 1.00 0.00 C ATOM 626 O TYR A 53 36.389 -22.625 -18.981 1.00 0.00 O ATOM 627 CB TYR A 53 36.114 -22.269 -16.189 1.00 0.00 C ATOM 628 CG TYR A 53 35.868 -21.803 -14.754 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.710 -22.166 -14.066 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.777 -20.916 -14.142 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.425 -21.646 -12.792 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.545 -20.409 -12.863 1.00 0.00 C ATOM 633 CZ TYR A 53 35.341 -20.761 -12.198 1.00 0.00 C ATOM 634 OH TYR A 53 35.044 -20.202 -10.980 1.00 0.00 O ATOM 0 H TYR A 53 33.947 -23.413 -17.409 1.00 0.00 H new ATOM 0 HA TYR A 53 34.939 -20.659 -16.898 1.00 0.00 H new ATOM 0 HB2 TYR A 53 36.076 -23.358 -16.223 1.00 0.00 H new ATOM 0 HB3 TYR A 53 37.119 -21.975 -16.494 1.00 0.00 H new ATOM 0 HD1 TYR A 53 34.019 -22.860 -14.521 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.670 -20.623 -14.674 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.516 -21.922 -12.277 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.267 -19.761 -12.388 1.00 0.00 H new ATOM 0 HH TYR A 53 34.303 -20.692 -10.567 1.00 0.00 H new ATOM 644 N PRO A 54 35.186 -20.785 -19.501 1.00 0.00 N ATOM 645 CA PRO A 54 35.671 -20.698 -20.878 1.00 0.00 C ATOM 646 C PRO A 54 37.131 -20.234 -20.923 1.00 0.00 C ATOM 647 O PRO A 54 37.685 -19.849 -19.900 1.00 0.00 O ATOM 648 CB PRO A 54 34.718 -19.712 -21.563 1.00 0.00 C ATOM 649 CG PRO A 54 34.262 -18.794 -20.421 1.00 0.00 C ATOM 650 CD PRO A 54 34.234 -19.718 -19.206 1.00 0.00 C ATOM 0 HA PRO A 54 35.672 -21.663 -21.385 1.00 0.00 H new ATOM 0 HB2 PRO A 54 35.221 -19.151 -22.351 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.875 -20.225 -22.025 1.00 0.00 H new ATOM 0 HG2 PRO A 54 34.951 -17.962 -20.276 1.00 0.00 H new ATOM 0 HG3 PRO A 54 33.280 -18.364 -20.620 1.00 0.00 H new ATOM 0 HD2 PRO A 54 34.515 -19.182 -18.299 1.00 0.00 H new ATOM 0 HD3 PRO A 54 33.234 -20.119 -19.042 1.00 0.00 H new ATOM 658 N GLU A 55 37.746 -20.232 -22.110 1.00 0.00 N ATOM 659 CA GLU A 55 39.108 -19.738 -22.360 1.00 0.00 C ATOM 660 C GLU A 55 39.222 -19.069 -23.736 1.00 0.00 C ATOM 661 O GLU A 55 38.288 -19.109 -24.541 1.00 0.00 O ATOM 662 CB GLU A 55 40.132 -20.882 -22.222 1.00 0.00 C ATOM 663 CG GLU A 55 40.666 -21.019 -20.786 1.00 0.00 C ATOM 664 CD GLU A 55 41.884 -21.948 -20.788 1.00 0.00 C ATOM 665 OE1 GLU A 55 41.737 -23.082 -21.298 1.00 0.00 O ATOM 666 OE2 GLU A 55 42.964 -21.506 -20.320 1.00 0.00 O ATOM 0 H GLU A 55 37.295 -20.586 -22.954 1.00 0.00 H new ATOM 0 HA GLU A 55 39.330 -18.981 -21.608 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.668 -21.820 -22.525 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.965 -20.704 -22.902 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.941 -20.040 -20.393 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.890 -21.419 -20.133 1.00 0.00 H new ATOM 673 N GLU A 56 40.383 -18.471 -24.012 1.00 0.00 N ATOM 674 CA GLU A 56 40.697 -17.822 -25.283 1.00 0.00 C ATOM 675 C GLU A 56 41.836 -18.552 -25.994 1.00 0.00 C ATOM 676 O GLU A 56 42.977 -18.520 -25.545 1.00 0.00 O ATOM 677 CB GLU A 56 40.968 -16.326 -25.064 1.00 0.00 C ATOM 678 CG GLU A 56 42.120 -15.996 -24.092 1.00 0.00 C ATOM 679 CD GLU A 56 42.129 -14.518 -23.700 1.00 0.00 C ATOM 680 OE1 GLU A 56 41.075 -14.055 -23.205 1.00 0.00 O ATOM 681 OE2 GLU A 56 43.179 -13.868 -23.910 1.00 0.00 O ATOM 0 H GLU A 56 41.149 -18.425 -23.340 1.00 0.00 H new ATOM 0 HA GLU A 56 39.837 -17.885 -25.949 1.00 0.00 H new ATOM 0 HB2 GLU A 56 41.188 -15.869 -26.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 40.056 -15.860 -24.691 1.00 0.00 H new ATOM 0 HG2 GLU A 56 42.026 -16.609 -23.196 1.00 0.00 H new ATOM 0 HG3 GLU A 56 43.072 -16.254 -24.556 1.00 0.00 H new ATOM 688 N ASP A 57 41.523 -19.269 -27.080 1.00 0.00 N ATOM 689 CA ASP A 57 42.492 -20.046 -27.861 1.00 0.00 C ATOM 690 C ASP A 57 43.287 -21.077 -27.022 1.00 0.00 C ATOM 691 O ASP A 57 44.407 -21.438 -27.375 1.00 0.00 O ATOM 692 CB ASP A 57 43.397 -19.076 -28.646 1.00 0.00 C ATOM 693 CG ASP A 57 44.115 -19.759 -29.811 1.00 0.00 C ATOM 694 OD1 ASP A 57 43.415 -20.456 -30.580 1.00 0.00 O ATOM 695 OD2 ASP A 57 45.338 -19.529 -29.950 1.00 0.00 O ATOM 0 H ASP A 57 40.573 -19.326 -27.447 1.00 0.00 H new ATOM 0 HA ASP A 57 41.940 -20.664 -28.569 1.00 0.00 H new ATOM 0 HB2 ASP A 57 42.795 -18.251 -29.028 1.00 0.00 H new ATOM 0 HB3 ASP A 57 44.136 -18.646 -27.970 1.00 0.00 H new ATOM 700 N GLY A 58 42.733 -21.528 -25.885 1.00 0.00 N ATOM 701 CA GLY A 58 43.434 -22.417 -24.950 1.00 0.00 C ATOM 702 C GLY A 58 44.316 -21.663 -23.939 1.00 0.00 C ATOM 703 O GLY A 58 45.128 -22.301 -23.268 1.00 0.00 O ATOM 0 H GLY A 58 41.787 -21.286 -25.590 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.701 -23.014 -24.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 44.055 -23.112 -25.516 1.00 0.00 H new ATOM 707 N LYS A 59 44.193 -20.327 -23.842 1.00 0.00 N ATOM 708 CA LYS A 59 44.964 -19.437 -22.974 1.00 0.00 C ATOM 709 C LYS A 59 44.065 -18.800 -21.916 1.00 0.00 C ATOM 710 O LYS A 59 42.844 -18.917 -21.951 1.00 0.00 O ATOM 711 CB LYS A 59 45.676 -18.342 -23.791 1.00 0.00 C ATOM 712 CG LYS A 59 46.328 -18.816 -25.107 1.00 0.00 C ATOM 713 CD LYS A 59 47.164 -17.709 -25.774 1.00 0.00 C ATOM 714 CE LYS A 59 48.547 -17.585 -25.115 1.00 0.00 C ATOM 715 NZ LYS A 59 49.364 -16.543 -25.772 1.00 0.00 N ATOM 0 H LYS A 59 43.511 -19.816 -24.403 1.00 0.00 H new ATOM 0 HA LYS A 59 45.722 -20.040 -22.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 44.954 -17.559 -24.024 1.00 0.00 H new ATOM 0 HB3 LYS A 59 46.446 -17.889 -23.166 1.00 0.00 H new ATOM 0 HG2 LYS A 59 46.964 -19.678 -24.905 1.00 0.00 H new ATOM 0 HG3 LYS A 59 45.551 -19.148 -25.796 1.00 0.00 H new ATOM 0 HD2 LYS A 59 47.282 -17.928 -26.835 1.00 0.00 H new ATOM 0 HD3 LYS A 59 46.637 -16.758 -25.702 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.428 -17.345 -24.058 1.00 0.00 H new ATOM 0 HE3 LYS A 59 49.064 -18.543 -25.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.291 -16.483 -25.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 49.496 -16.786 -26.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 48.880 -15.625 -25.699 1.00 0.00 H new ATOM 729 N THR A 60 44.699 -18.117 -20.969 1.00 0.00 N ATOM 730 CA THR A 60 44.100 -17.467 -19.802 1.00 0.00 C ATOM 731 C THR A 60 42.819 -16.664 -20.164 1.00 0.00 C ATOM 732 O THR A 60 42.862 -15.670 -20.896 1.00 0.00 O ATOM 733 CB THR A 60 45.149 -16.505 -19.171 1.00 0.00 C ATOM 734 OG1 THR A 60 45.454 -15.489 -20.118 1.00 0.00 O ATOM 735 CG2 THR A 60 46.419 -17.167 -18.647 1.00 0.00 C ATOM 0 H THR A 60 45.711 -17.993 -20.995 1.00 0.00 H new ATOM 0 HA THR A 60 43.808 -18.246 -19.097 1.00 0.00 H new ATOM 0 HB THR A 60 44.689 -16.089 -18.275 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.645 -15.255 -20.619 1.00 0.00 H new ATOM 0 HG21 THR A 60 47.080 -16.407 -18.229 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.160 -17.888 -17.872 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.926 -17.679 -19.465 1.00 0.00 H new ATOM 743 N LYS A 61 41.687 -17.089 -19.602 1.00 0.00 N ATOM 744 CA LYS A 61 40.381 -16.443 -19.680 1.00 0.00 C ATOM 745 C LYS A 61 40.337 -15.104 -18.936 1.00 0.00 C ATOM 746 O LYS A 61 41.302 -14.712 -18.284 1.00 0.00 O ATOM 747 CB LYS A 61 39.332 -17.427 -19.130 1.00 0.00 C ATOM 748 CG LYS A 61 39.369 -17.659 -17.599 1.00 0.00 C ATOM 749 CD LYS A 61 39.131 -19.138 -17.240 1.00 0.00 C ATOM 750 CE LYS A 61 39.792 -19.484 -15.905 1.00 0.00 C ATOM 751 NZ LYS A 61 39.923 -20.950 -15.769 1.00 0.00 N ATOM 0 H LYS A 61 41.658 -17.945 -19.048 1.00 0.00 H new ATOM 0 HA LYS A 61 40.166 -16.201 -20.721 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.341 -17.062 -19.400 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.465 -18.387 -19.628 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.334 -17.340 -17.206 1.00 0.00 H new ATOM 0 HG3 LYS A 61 38.610 -17.041 -17.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 38.061 -19.336 -17.183 1.00 0.00 H new ATOM 0 HD3 LYS A 61 39.532 -19.777 -18.026 1.00 0.00 H new ATOM 0 HE2 LYS A 61 40.775 -19.016 -15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 61 39.198 -19.086 -15.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 40.063 -21.195 -14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 39.059 -21.410 -16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 40.739 -21.278 -16.323 1.00 0.00 H new ATOM 765 N GLY A 62 39.170 -14.467 -19.022 1.00 0.00 N ATOM 766 CA GLY A 62 38.812 -13.239 -18.319 1.00 0.00 C ATOM 767 C GLY A 62 37.371 -13.188 -17.773 1.00 0.00 C ATOM 768 O GLY A 62 37.031 -12.194 -17.133 1.00 0.00 O ATOM 0 H GLY A 62 38.413 -14.811 -19.613 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.503 -13.101 -17.487 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.956 -12.397 -18.996 1.00 0.00 H new ATOM 772 N TYR A 63 36.533 -14.214 -17.990 1.00 0.00 N ATOM 773 CA TYR A 63 35.109 -14.265 -17.653 1.00 0.00 C ATOM 774 C TYR A 63 34.721 -15.721 -17.312 1.00 0.00 C ATOM 775 O TYR A 63 35.342 -16.662 -17.816 1.00 0.00 O ATOM 776 CB TYR A 63 34.334 -13.641 -18.834 1.00 0.00 C ATOM 777 CG TYR A 63 33.191 -14.465 -19.398 1.00 0.00 C ATOM 778 CD1 TYR A 63 31.950 -14.517 -18.739 1.00 0.00 C ATOM 779 CD2 TYR A 63 33.375 -15.185 -20.584 1.00 0.00 C ATOM 780 CE1 TYR A 63 30.899 -15.297 -19.255 1.00 0.00 C ATOM 781 CE2 TYR A 63 32.329 -15.952 -21.124 1.00 0.00 C ATOM 782 CZ TYR A 63 31.087 -16.027 -20.454 1.00 0.00 C ATOM 783 OH TYR A 63 30.080 -16.798 -20.968 1.00 0.00 O ATOM 0 H TYR A 63 36.853 -15.077 -18.430 1.00 0.00 H new ATOM 0 HA TYR A 63 34.857 -13.687 -16.764 1.00 0.00 H new ATOM 0 HB2 TYR A 63 33.936 -12.679 -18.512 1.00 0.00 H new ATOM 0 HB3 TYR A 63 35.041 -13.440 -19.639 1.00 0.00 H new ATOM 0 HD1 TYR A 63 31.802 -13.954 -17.829 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.329 -15.151 -21.088 1.00 0.00 H new ATOM 0 HE1 TYR A 63 29.952 -15.339 -18.738 1.00 0.00 H new ATOM 0 HE2 TYR A 63 32.474 -16.485 -22.052 1.00 0.00 H new ATOM 0 HH TYR A 63 30.385 -17.226 -21.795 1.00 0.00 H new ATOM 793 N ILE A 64 33.704 -15.902 -16.458 1.00 0.00 N ATOM 794 CA ILE A 64 33.111 -17.196 -16.092 1.00 0.00 C ATOM 795 C ILE A 64 31.577 -17.117 -16.097 1.00 0.00 C ATOM 796 O ILE A 64 31.006 -16.022 -16.045 1.00 0.00 O ATOM 797 CB ILE A 64 33.616 -17.685 -14.710 1.00 0.00 C ATOM 798 CG1 ILE A 64 33.142 -16.805 -13.522 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.136 -17.879 -14.643 1.00 0.00 C ATOM 800 CD1 ILE A 64 32.287 -17.611 -12.534 1.00 0.00 C ATOM 0 H ILE A 64 33.254 -15.119 -15.984 1.00 0.00 H new ATOM 0 HA ILE A 64 33.428 -17.920 -16.843 1.00 0.00 H new ATOM 0 HB ILE A 64 33.149 -18.664 -14.603 1.00 0.00 H new ATOM 0 HG12 ILE A 64 34.008 -16.393 -13.004 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.565 -15.961 -13.900 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.415 -18.222 -13.647 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.441 -18.621 -15.381 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.633 -16.932 -14.854 1.00 0.00 H new ATOM 0 HD11 ILE A 64 31.972 -16.965 -11.715 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.408 -18.001 -13.047 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.873 -18.440 -12.138 1.00 0.00 H new ATOM 812 N PHE A 65 30.905 -18.271 -16.096 1.00 0.00 N ATOM 813 CA PHE A 65 29.451 -18.373 -16.139 1.00 0.00 C ATOM 814 C PHE A 65 28.976 -19.406 -15.114 1.00 0.00 C ATOM 815 O PHE A 65 29.441 -20.551 -15.121 1.00 0.00 O ATOM 816 CB PHE A 65 29.027 -18.728 -17.571 1.00 0.00 C ATOM 817 CG PHE A 65 27.538 -18.967 -17.761 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.605 -18.009 -17.330 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.074 -20.141 -18.382 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.235 -18.199 -17.561 1.00 0.00 C ATOM 821 CE2 PHE A 65 25.697 -20.340 -18.593 1.00 0.00 C ATOM 822 CZ PHE A 65 24.772 -19.359 -18.203 1.00 0.00 C ATOM 0 H PHE A 65 31.370 -19.178 -16.065 1.00 0.00 H new ATOM 0 HA PHE A 65 28.985 -17.424 -15.874 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.338 -17.922 -18.236 1.00 0.00 H new ATOM 0 HB3 PHE A 65 29.566 -19.623 -17.882 1.00 0.00 H new ATOM 0 HD1 PHE A 65 26.945 -17.121 -16.818 1.00 0.00 H new ATOM 0 HD2 PHE A 65 27.780 -20.895 -18.699 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.529 -17.446 -17.242 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.350 -21.252 -19.057 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.718 -19.495 -18.394 1.00 0.00 H new ATOM 832 N LEU A 66 28.066 -18.994 -14.224 1.00 0.00 N ATOM 833 CA LEU A 66 27.494 -19.816 -13.159 1.00 0.00 C ATOM 834 C LEU A 66 25.962 -19.722 -13.173 1.00 0.00 C ATOM 835 O LEU A 66 25.407 -18.632 -13.324 1.00 0.00 O ATOM 836 CB LEU A 66 28.055 -19.331 -11.803 1.00 0.00 C ATOM 837 CG LEU A 66 28.828 -20.426 -11.063 1.00 0.00 C ATOM 838 CD1 LEU A 66 30.229 -20.636 -11.648 1.00 0.00 C ATOM 839 CD2 LEU A 66 28.954 -20.055 -9.585 1.00 0.00 C ATOM 0 H LEU A 66 27.696 -18.043 -14.228 1.00 0.00 H new ATOM 0 HA LEU A 66 27.766 -20.860 -13.315 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.711 -18.477 -11.970 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.233 -18.984 -11.177 1.00 0.00 H new ATOM 0 HG LEU A 66 28.271 -21.356 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.741 -21.422 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 66 30.146 -20.927 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 66 30.797 -19.709 -11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 66 29.504 -20.835 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.487 -19.109 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 66 27.960 -19.956 -9.149 1.00 0.00 H new ATOM 851 N GLU A 67 25.271 -20.844 -12.948 1.00 0.00 N ATOM 852 CA GLU A 67 23.801 -20.898 -12.944 1.00 0.00 C ATOM 853 C GLU A 67 23.291 -21.570 -11.668 1.00 0.00 C ATOM 854 O GLU A 67 23.681 -22.698 -11.337 1.00 0.00 O ATOM 855 CB GLU A 67 23.218 -21.580 -14.197 1.00 0.00 C ATOM 856 CG GLU A 67 23.992 -21.313 -15.490 1.00 0.00 C ATOM 857 CD GLU A 67 23.284 -21.950 -16.684 1.00 0.00 C ATOM 858 OE1 GLU A 67 22.201 -21.443 -17.048 1.00 0.00 O ATOM 859 OE2 GLU A 67 23.843 -22.926 -17.229 1.00 0.00 O ATOM 0 H GLU A 67 25.714 -21.744 -12.763 1.00 0.00 H new ATOM 0 HA GLU A 67 23.450 -19.866 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.184 -22.656 -14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.189 -21.246 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 67 24.087 -20.239 -15.648 1.00 0.00 H new ATOM 0 HG3 GLU A 67 25.002 -21.713 -15.404 1.00 0.00 H new ATOM 866 N TYR A 68 22.422 -20.865 -10.943 1.00 0.00 N ATOM 867 CA TYR A 68 21.816 -21.369 -9.717 1.00 0.00 C ATOM 868 C TYR A 68 20.530 -22.148 -10.005 1.00 0.00 C ATOM 869 O TYR A 68 20.022 -22.179 -11.125 1.00 0.00 O ATOM 870 CB TYR A 68 21.533 -20.198 -8.775 1.00 0.00 C ATOM 871 CG TYR A 68 22.793 -19.544 -8.266 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.514 -20.132 -7.212 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.232 -18.335 -8.828 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.607 -19.449 -6.650 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.355 -17.685 -8.298 1.00 0.00 C ATOM 876 CZ TYR A 68 25.050 -18.246 -7.217 1.00 0.00 C ATOM 877 OH TYR A 68 26.149 -17.632 -6.720 1.00 0.00 O ATOM 0 H TYR A 68 22.119 -19.924 -11.194 1.00 0.00 H new ATOM 0 HA TYR A 68 22.514 -22.059 -9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.928 -19.456 -9.296 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.944 -20.552 -7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 68 23.230 -21.104 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.705 -17.906 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 68 25.106 -19.852 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.686 -16.749 -8.724 1.00 0.00 H new ATOM 0 HH TYR A 68 26.936 -18.195 -6.875 1.00 0.00 H new ATOM 887 N ALA A 69 19.977 -22.754 -8.952 1.00 0.00 N ATOM 888 CA ALA A 69 18.719 -23.484 -9.010 1.00 0.00 C ATOM 889 C ALA A 69 17.483 -22.571 -8.856 1.00 0.00 C ATOM 890 O ALA A 69 16.366 -23.085 -8.873 1.00 0.00 O ATOM 891 CB ALA A 69 18.748 -24.575 -7.931 1.00 0.00 C ATOM 0 H ALA A 69 20.400 -22.748 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 69 18.622 -23.932 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.814 -25.136 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.582 -25.251 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 69 18.869 -24.114 -6.951 1.00 0.00 H new ATOM 897 N SER A 70 17.642 -21.247 -8.672 1.00 0.00 N ATOM 898 CA SER A 70 16.529 -20.305 -8.523 1.00 0.00 C ATOM 899 C SER A 70 16.924 -18.853 -8.857 1.00 0.00 C ATOM 900 O SER A 70 18.115 -18.515 -8.804 1.00 0.00 O ATOM 901 CB SER A 70 15.978 -20.398 -7.087 1.00 0.00 C ATOM 902 OG SER A 70 16.504 -19.403 -6.218 1.00 0.00 O ATOM 0 H SER A 70 18.558 -20.802 -8.623 1.00 0.00 H new ATOM 0 HA SER A 70 15.759 -20.585 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.892 -20.309 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.206 -21.383 -6.681 1.00 0.00 H new ATOM 0 HG SER A 70 16.117 -19.512 -5.324 1.00 0.00 H new ATOM 908 N PRO A 71 15.944 -17.966 -9.134 1.00 0.00 N ATOM 909 CA PRO A 71 16.198 -16.555 -9.391 1.00 0.00 C ATOM 910 C PRO A 71 16.685 -15.842 -8.133 1.00 0.00 C ATOM 911 O PRO A 71 17.735 -15.204 -8.160 1.00 0.00 O ATOM 912 CB PRO A 71 14.873 -15.979 -9.914 1.00 0.00 C ATOM 913 CG PRO A 71 13.812 -16.903 -9.309 1.00 0.00 C ATOM 914 CD PRO A 71 14.523 -18.256 -9.257 1.00 0.00 C ATOM 0 HA PRO A 71 16.993 -16.415 -10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.732 -14.946 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.836 -15.986 -11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.505 -16.570 -8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.913 -16.943 -9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.172 -18.847 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.321 -18.836 -10.157 1.00 0.00 H new ATOM 922 N ALA A 72 15.972 -16.017 -7.009 1.00 0.00 N ATOM 923 CA ALA A 72 16.308 -15.436 -5.709 1.00 0.00 C ATOM 924 C ALA A 72 17.761 -15.724 -5.290 1.00 0.00 C ATOM 925 O ALA A 72 18.378 -14.892 -4.633 1.00 0.00 O ATOM 926 CB ALA A 72 15.306 -15.950 -4.665 1.00 0.00 C ATOM 0 H ALA A 72 15.124 -16.583 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 72 16.235 -14.351 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.545 -15.524 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.297 -15.654 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.363 -17.037 -4.610 1.00 0.00 H new ATOM 932 N HIS A 73 18.332 -16.860 -5.715 1.00 0.00 N ATOM 933 CA HIS A 73 19.724 -17.229 -5.453 1.00 0.00 C ATOM 934 C HIS A 73 20.711 -16.415 -6.311 1.00 0.00 C ATOM 935 O HIS A 73 21.683 -15.872 -5.783 1.00 0.00 O ATOM 936 CB HIS A 73 19.871 -18.736 -5.684 1.00 0.00 C ATOM 937 CG HIS A 73 21.063 -19.376 -5.020 1.00 0.00 C ATOM 938 ND1 HIS A 73 22.155 -18.745 -4.447 1.00 0.00 N ATOM 939 CD2 HIS A 73 21.231 -20.723 -4.869 1.00 0.00 C ATOM 940 CE1 HIS A 73 22.970 -19.705 -3.966 1.00 0.00 C ATOM 941 NE2 HIS A 73 22.429 -20.908 -4.219 1.00 0.00 N ATOM 0 H HIS A 73 17.827 -17.559 -6.260 1.00 0.00 H new ATOM 0 HA HIS A 73 19.974 -16.992 -4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 73 18.968 -19.231 -5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 73 19.932 -18.918 -6.757 1.00 0.00 H new ATOM 0 HD1 HIS A 73 22.313 -17.739 -4.398 1.00 0.00 H new ATOM 0 HD2 HIS A 73 20.552 -21.496 -5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 73 23.908 -19.534 -3.458 1.00 0.00 H new ATOM 950 N ALA A 74 20.443 -16.301 -7.619 1.00 0.00 N ATOM 951 CA ALA A 74 21.234 -15.510 -8.570 1.00 0.00 C ATOM 952 C ALA A 74 21.185 -14.009 -8.257 1.00 0.00 C ATOM 953 O ALA A 74 22.234 -13.381 -8.080 1.00 0.00 O ATOM 954 CB ALA A 74 20.780 -15.792 -10.017 1.00 0.00 C ATOM 0 H ALA A 74 19.649 -16.769 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 74 22.274 -15.819 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.377 -15.197 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 74 20.913 -16.850 -10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.728 -15.528 -10.126 1.00 0.00 H new ATOM 960 N VAL A 75 19.971 -13.446 -8.158 1.00 0.00 N ATOM 961 CA VAL A 75 19.775 -12.011 -7.912 1.00 0.00 C ATOM 962 C VAL A 75 20.422 -11.574 -6.593 1.00 0.00 C ATOM 963 O VAL A 75 21.010 -10.498 -6.528 1.00 0.00 O ATOM 964 CB VAL A 75 18.287 -11.594 -7.992 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.628 -12.077 -9.301 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.476 -12.063 -6.772 1.00 0.00 C ATOM 0 H VAL A 75 19.101 -13.971 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 75 20.285 -11.481 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 75 18.278 -10.504 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.584 -11.765 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.151 -11.644 -10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.682 -13.164 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.439 -11.744 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.516 -13.150 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.897 -11.628 -5.866 1.00 0.00 H new ATOM 976 N ASP A 76 20.385 -12.440 -5.573 1.00 0.00 N ATOM 977 CA ASP A 76 21.080 -12.232 -4.314 1.00 0.00 C ATOM 978 C ASP A 76 22.599 -12.256 -4.510 1.00 0.00 C ATOM 979 O ASP A 76 23.250 -11.276 -4.155 1.00 0.00 O ATOM 980 CB ASP A 76 20.632 -13.284 -3.299 1.00 0.00 C ATOM 981 CG ASP A 76 21.400 -13.123 -1.988 1.00 0.00 C ATOM 982 OD1 ASP A 76 21.040 -12.213 -1.205 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.385 -13.875 -1.826 1.00 0.00 O ATOM 0 H ASP A 76 19.862 -13.315 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 76 20.823 -11.245 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.562 -13.188 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.797 -14.282 -3.704 1.00 0.00 H new ATOM 988 N ALA A 77 23.170 -13.330 -5.069 1.00 0.00 N ATOM 989 CA ALA A 77 24.616 -13.471 -5.259 1.00 0.00 C ATOM 990 C ALA A 77 25.241 -12.262 -5.981 1.00 0.00 C ATOM 991 O ALA A 77 26.262 -11.732 -5.532 1.00 0.00 O ATOM 992 CB ALA A 77 24.864 -14.779 -6.022 1.00 0.00 C ATOM 0 H ALA A 77 22.636 -14.131 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 77 25.105 -13.504 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 77 25.935 -14.911 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.475 -15.617 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.358 -14.739 -6.987 1.00 0.00 H new ATOM 998 N VAL A 78 24.594 -11.771 -7.046 1.00 0.00 N ATOM 999 CA VAL A 78 25.024 -10.562 -7.778 1.00 0.00 C ATOM 1000 C VAL A 78 25.067 -9.308 -6.906 1.00 0.00 C ATOM 1001 O VAL A 78 25.917 -8.451 -7.127 1.00 0.00 O ATOM 1002 CB VAL A 78 24.115 -10.315 -8.995 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.388 -8.979 -9.697 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.292 -11.448 -10.008 1.00 0.00 C ATOM 0 H VAL A 78 23.752 -12.200 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 78 26.045 -10.757 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 78 23.094 -10.281 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.713 -8.869 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.226 -8.160 -8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.419 -8.957 -10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.647 -11.271 -10.869 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.331 -11.485 -10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.024 -12.397 -9.543 1.00 0.00 H new ATOM 1014 N LYS A 79 24.172 -9.199 -5.922 1.00 0.00 N ATOM 1015 CA LYS A 79 24.062 -8.057 -5.004 1.00 0.00 C ATOM 1016 C LYS A 79 24.854 -8.282 -3.706 1.00 0.00 C ATOM 1017 O LYS A 79 24.755 -7.458 -2.799 1.00 0.00 O ATOM 1018 CB LYS A 79 22.574 -7.702 -4.752 1.00 0.00 C ATOM 1019 CG LYS A 79 21.999 -6.769 -5.835 1.00 0.00 C ATOM 1020 CD LYS A 79 21.530 -7.497 -7.100 1.00 0.00 C ATOM 1021 CE LYS A 79 21.393 -6.541 -8.291 1.00 0.00 C ATOM 1022 NZ LYS A 79 20.028 -6.558 -8.854 1.00 0.00 N ATOM 0 H LYS A 79 23.481 -9.925 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 79 24.523 -7.191 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.986 -8.619 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.478 -7.224 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.160 -6.215 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.758 -6.037 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 79 22.239 -8.287 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.571 -7.978 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 79 21.643 -5.528 -7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 79 22.109 -6.819 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.975 -5.899 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.798 -7.519 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.347 -6.268 -8.123 1.00 0.00 H new ATOM 1036 N ASN A 80 25.636 -9.365 -3.610 1.00 0.00 N ATOM 1037 CA ASN A 80 26.445 -9.672 -2.428 1.00 0.00 C ATOM 1038 C ASN A 80 27.929 -9.899 -2.731 1.00 0.00 C ATOM 1039 O ASN A 80 28.748 -9.673 -1.844 1.00 0.00 O ATOM 1040 CB ASN A 80 25.875 -10.910 -1.731 1.00 0.00 C ATOM 1041 CG ASN A 80 24.628 -10.634 -0.913 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.673 -10.561 0.301 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.477 -10.557 -1.539 1.00 0.00 N ATOM 0 H ASN A 80 25.724 -10.055 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 80 26.393 -8.795 -1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.645 -11.665 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.640 -11.332 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.615 -10.435 -1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.445 -10.619 -2.557 1.00 0.00 H new ATOM 1050 N ALA A 81 28.271 -10.369 -3.937 1.00 0.00 N ATOM 1051 CA ALA A 81 29.646 -10.686 -4.322 1.00 0.00 C ATOM 1052 C ALA A 81 30.162 -9.765 -5.439 1.00 0.00 C ATOM 1053 O ALA A 81 31.065 -10.150 -6.187 1.00 0.00 O ATOM 1054 CB ALA A 81 29.716 -12.157 -4.737 1.00 0.00 C ATOM 0 H ALA A 81 27.592 -10.541 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 81 30.298 -10.516 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.737 -12.405 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.413 -12.786 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.048 -12.329 -5.581 1.00 0.00 H new ATOM 1060 N ASP A 82 29.561 -8.579 -5.572 1.00 0.00 N ATOM 1061 CA ASP A 82 29.783 -7.500 -6.539 1.00 0.00 C ATOM 1062 C ASP A 82 31.204 -6.885 -6.547 1.00 0.00 C ATOM 1063 O ASP A 82 31.362 -5.666 -6.461 1.00 0.00 O ATOM 1064 CB ASP A 82 28.679 -6.431 -6.332 1.00 0.00 C ATOM 1065 CG ASP A 82 28.511 -5.951 -4.879 1.00 0.00 C ATOM 1066 OD1 ASP A 82 28.082 -6.784 -4.045 1.00 0.00 O ATOM 1067 OD2 ASP A 82 28.760 -4.752 -4.617 1.00 0.00 O ATOM 0 H ASP A 82 28.816 -8.322 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 82 29.715 -7.942 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.904 -5.570 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 82 27.729 -6.838 -6.678 1.00 0.00 H new ATOM 1072 N GLY A 83 32.241 -7.713 -6.716 1.00 0.00 N ATOM 1073 CA GLY A 83 33.638 -7.297 -6.864 1.00 0.00 C ATOM 1074 C GLY A 83 34.574 -7.958 -5.846 1.00 0.00 C ATOM 1075 O GLY A 83 34.922 -7.367 -4.830 1.00 0.00 O ATOM 0 H GLY A 83 32.125 -8.726 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 83 33.978 -7.538 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 83 33.702 -6.214 -6.757 1.00 0.00 H new ATOM 1079 N TYR A 84 35.018 -9.194 -6.138 1.00 0.00 N ATOM 1080 CA TYR A 84 35.863 -10.027 -5.282 1.00 0.00 C ATOM 1081 C TYR A 84 37.209 -9.372 -4.906 1.00 0.00 C ATOM 1082 O TYR A 84 37.834 -8.655 -5.691 1.00 0.00 O ATOM 1083 CB TYR A 84 36.113 -11.388 -5.959 1.00 0.00 C ATOM 1084 CG TYR A 84 34.924 -11.970 -6.711 1.00 0.00 C ATOM 1085 CD1 TYR A 84 33.780 -12.436 -6.034 1.00 0.00 C ATOM 1086 CD2 TYR A 84 34.990 -12.092 -8.108 1.00 0.00 C ATOM 1087 CE1 TYR A 84 32.784 -13.149 -6.728 1.00 0.00 C ATOM 1088 CE2 TYR A 84 33.956 -12.718 -8.824 1.00 0.00 C ATOM 1089 CZ TYR A 84 32.883 -13.303 -8.122 1.00 0.00 C ATOM 1090 OH TYR A 84 32.001 -14.128 -8.744 1.00 0.00 O ATOM 0 H TYR A 84 34.784 -9.654 -7.018 1.00 0.00 H new ATOM 0 HA TYR A 84 35.317 -10.159 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 84 36.945 -11.281 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.425 -12.102 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 84 33.666 -12.245 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 84 35.845 -11.700 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 84 31.949 -13.575 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 84 33.983 -12.751 -9.903 1.00 0.00 H new ATOM 0 HH TYR A 84 31.544 -14.681 -8.077 1.00 0.00 H new ATOM 1100 N LYS A 85 37.721 -9.677 -3.710 1.00 0.00 N ATOM 1101 CA LYS A 85 38.973 -9.102 -3.181 1.00 0.00 C ATOM 1102 C LYS A 85 40.208 -9.987 -3.412 1.00 0.00 C ATOM 1103 O LYS A 85 40.804 -10.481 -2.461 1.00 0.00 O ATOM 1104 CB LYS A 85 38.794 -8.645 -1.716 1.00 0.00 C ATOM 1105 CG LYS A 85 38.169 -9.699 -0.777 1.00 0.00 C ATOM 1106 CD LYS A 85 36.668 -9.456 -0.553 1.00 0.00 C ATOM 1107 CE LYS A 85 36.392 -8.212 0.303 1.00 0.00 C ATOM 1108 NZ LYS A 85 35.966 -8.574 1.669 1.00 0.00 N ATOM 0 H LYS A 85 37.277 -10.337 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 85 39.187 -8.208 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 85 39.768 -8.358 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 85 38.169 -7.752 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 85 38.316 -10.693 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 85 38.686 -9.681 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 85 36.174 -9.345 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 85 36.231 -10.329 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 85 37.291 -7.598 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 85 35.619 -7.608 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 35.789 -7.709 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 35.094 -9.139 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 36.715 -9.129 2.130 1.00 0.00 H new ATOM 1224 N PHE A 92 36.589 -6.987 -9.740 1.00 0.00 N ATOM 1225 CA PHE A 92 35.687 -7.725 -10.629 1.00 0.00 C ATOM 1226 C PHE A 92 34.320 -7.041 -10.704 1.00 0.00 C ATOM 1227 O PHE A 92 34.029 -6.128 -9.929 1.00 0.00 O ATOM 1228 CB PHE A 92 35.548 -9.179 -10.156 1.00 0.00 C ATOM 1229 CG PHE A 92 36.878 -9.833 -9.857 1.00 0.00 C ATOM 1230 CD1 PHE A 92 37.518 -9.551 -8.642 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.492 -10.703 -10.774 1.00 0.00 C ATOM 1232 CE1 PHE A 92 38.779 -10.084 -8.351 1.00 0.00 C ATOM 1233 CE2 PHE A 92 38.741 -11.260 -10.467 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.392 -10.931 -9.273 1.00 0.00 C ATOM 0 HA PHE A 92 36.114 -7.729 -11.632 1.00 0.00 H new ATOM 0 HB2 PHE A 92 34.927 -9.206 -9.261 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.030 -9.756 -10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 92 37.031 -8.913 -7.920 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.005 -10.941 -11.708 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.272 -9.841 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.205 -11.949 -11.158 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.372 -11.334 -9.065 1.00 0.00 H new ATOM 1244 N ARG A 93 33.463 -7.504 -11.623 1.00 0.00 N ATOM 1245 CA ARG A 93 32.111 -6.959 -11.827 1.00 0.00 C ATOM 1246 C ARG A 93 31.069 -8.066 -12.003 1.00 0.00 C ATOM 1247 O ARG A 93 30.729 -8.439 -13.129 1.00 0.00 O ATOM 1248 CB ARG A 93 32.100 -5.959 -13.004 1.00 0.00 C ATOM 1249 CG ARG A 93 33.069 -4.772 -12.849 1.00 0.00 C ATOM 1250 CD ARG A 93 32.756 -3.857 -11.652 1.00 0.00 C ATOM 1251 NE ARG A 93 32.150 -2.583 -12.070 1.00 0.00 N ATOM 1252 CZ ARG A 93 31.772 -1.601 -11.260 1.00 0.00 C ATOM 1253 NH1 ARG A 93 31.858 -1.698 -9.951 1.00 0.00 N ATOM 1254 NH2 ARG A 93 31.306 -0.483 -11.766 1.00 0.00 N ATOM 0 H ARG A 93 33.689 -8.274 -12.252 1.00 0.00 H new ATOM 0 HA ARG A 93 31.830 -6.414 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.347 -6.495 -13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.088 -5.571 -13.124 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.083 -5.157 -12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.047 -4.178 -13.762 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.080 -4.372 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.674 -3.657 -11.100 1.00 0.00 H new ATOM 0 HE ARG A 93 32.008 -2.442 -13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 93 32.225 -2.549 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 93 31.558 -0.922 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.235 -0.371 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 93 31.014 0.274 -11.148 1.00 0.00 H new ATOM 1268 N VAL A 94 30.555 -8.583 -10.879 1.00 0.00 N ATOM 1269 CA VAL A 94 29.513 -9.619 -10.884 1.00 0.00 C ATOM 1270 C VAL A 94 28.173 -9.008 -11.303 1.00 0.00 C ATOM 1271 O VAL A 94 27.705 -8.072 -10.659 1.00 0.00 O ATOM 1272 CB VAL A 94 29.366 -10.336 -9.529 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.379 -11.508 -9.643 1.00 0.00 C ATOM 1274 CG2 VAL A 94 30.717 -10.912 -9.092 1.00 0.00 C ATOM 0 H VAL A 94 30.848 -8.297 -9.945 1.00 0.00 H new ATOM 0 HA VAL A 94 29.823 -10.375 -11.606 1.00 0.00 H new ATOM 0 HB VAL A 94 29.003 -9.607 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.288 -12.003 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.403 -11.133 -9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 94 28.745 -12.221 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 94 30.604 -11.417 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.067 -11.625 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.442 -10.104 -8.993 1.00 0.00 H new ATOM 1284 N ASN A 95 27.572 -9.528 -12.377 1.00 0.00 N ATOM 1285 CA ASN A 95 26.291 -9.087 -12.943 1.00 0.00 C ATOM 1286 C ASN A 95 25.483 -10.285 -13.490 1.00 0.00 C ATOM 1287 O ASN A 95 25.961 -11.420 -13.509 1.00 0.00 O ATOM 1288 CB ASN A 95 26.557 -8.016 -14.020 1.00 0.00 C ATOM 1289 CG ASN A 95 27.048 -6.714 -13.408 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.271 -5.877 -12.976 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.349 -6.499 -13.354 1.00 0.00 N ATOM 0 H ASN A 95 27.982 -10.302 -12.900 1.00 0.00 H new ATOM 0 HA ASN A 95 25.678 -8.640 -12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.298 -8.388 -14.728 1.00 0.00 H new ATOM 0 HB3 ASN A 95 25.642 -7.831 -14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 95 28.706 -5.633 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 95 28.997 -7.199 -13.715 1.00 0.00 H new