USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 838 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 Single : A 1 ASN : amide:sc= 0.101 K(o=0.1,f=-2.3!) USER MOD Single : A 1 ASN N :NH3+ -177:sc= 0.0273 (180deg=-0.168) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.82) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.306 K(o=0.31,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= -8.19! C(o=-8.2!,f=-4.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.495) USER MOD Single : A 35 TYR OH : rot -145:sc= -2.52! USER MOD Single : A 39 SER OG : rot 90:sc= 1.21 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -0.0811 (180deg=-0.654) USER MOD Single : A 47 SER OG : rot 23:sc= 0.285 USER MOD Single : A 50 HIS : no HD1:sc= -9.24! C(o=-9.2!,f=-8.3!) USER MOD Single : A 55 TYR OH : rot -140:sc= -0.774 USER MOD Single : A 56 ASN : amide:sc= -4.34! C(o=-4.3!,f=-2.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 2:sc= 0.912 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.88! X(o=-1.9!,f=-1.6) USER MOD Single : A 69 THR OG1 : rot -37:sc= 0.342 USER MOD Single : A 73 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.051) USER MOD Single : A 75 HIS : no HD1:sc= -0.755 K(o=-0.75,f=-1.7) USER MOD Single : A 76 ASN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= 0.0877 (180deg=-0.622) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.21) USER MOD Single : A 99 ASN : amide:sc= -7.95! C(o=-7.9!,f=-3.9!) USER MOD Single : A 102 THR OG1 : rot 50:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -18.840 -3.256 -7.736 1.00 0.00 N ATOM 2 CA ASN A 1 -19.674 -2.032 -7.576 1.00 0.00 C ATOM 3 C ASN A 1 -21.097 -2.432 -7.183 1.00 0.00 C ATOM 4 O ASN A 1 -21.910 -1.602 -6.827 1.00 0.00 O ATOM 5 CB ASN A 1 -19.708 -1.262 -8.898 1.00 0.00 C ATOM 6 CG ASN A 1 -18.278 -1.008 -9.378 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.352 -1.010 -8.593 1.00 0.00 O ATOM 8 ND2 ASN A 1 -18.058 -0.789 -10.646 1.00 0.00 N ATOM 0 H1 ASN A 1 -17.860 -2.983 -7.953 1.00 0.00 H new ATOM 0 H2 ASN A 1 -18.858 -3.806 -6.854 1.00 0.00 H new ATOM 0 H3 ASN A 1 -19.218 -3.835 -8.513 1.00 0.00 H new ATOM 0 HA ASN A 1 -19.246 -1.400 -6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -20.259 -1.830 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -20.232 -0.315 -8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -17.108 -0.620 -10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -18.836 -0.787 -11.306 1.00 0.00 H new ATOM 17 N GLN A 2 -21.405 -3.699 -7.243 1.00 0.00 N ATOM 18 CA GLN A 2 -22.775 -4.152 -6.872 1.00 0.00 C ATOM 19 C GLN A 2 -22.954 -4.038 -5.356 1.00 0.00 C ATOM 20 O GLN A 2 -23.114 -5.024 -4.665 1.00 0.00 O ATOM 21 CB GLN A 2 -22.965 -5.609 -7.299 1.00 0.00 C ATOM 22 CG GLN A 2 -22.790 -5.725 -8.815 1.00 0.00 C ATOM 23 CD GLN A 2 -23.027 -7.174 -9.246 1.00 0.00 C ATOM 24 OE1 GLN A 2 -22.242 -8.048 -8.935 1.00 0.00 O ATOM 25 NE2 GLN A 2 -24.084 -7.467 -9.953 1.00 0.00 N ATOM 0 H GLN A 2 -20.767 -4.440 -7.533 1.00 0.00 H new ATOM 0 HA GLN A 2 -23.513 -3.528 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -22.242 -6.245 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -23.956 -5.957 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -23.491 -5.064 -9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -21.787 -5.408 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -24.743 -6.733 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -24.252 -8.430 -10.245 1.00 0.00 H new ATOM 34 N GLY A 3 -22.929 -2.842 -4.835 1.00 0.00 N ATOM 35 CA GLY A 3 -23.098 -2.669 -3.365 1.00 0.00 C ATOM 36 C GLY A 3 -21.912 -3.302 -2.635 1.00 0.00 C ATOM 37 O GLY A 3 -22.042 -3.808 -1.539 1.00 0.00 O ATOM 0 H GLY A 3 -22.799 -1.979 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -23.166 -1.609 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -24.029 -3.133 -3.039 1.00 0.00 H new ATOM 41 N ASP A 4 -20.752 -3.277 -3.236 1.00 0.00 N ATOM 42 CA ASP A 4 -19.556 -3.876 -2.578 1.00 0.00 C ATOM 43 C ASP A 4 -18.288 -3.380 -3.276 1.00 0.00 C ATOM 44 O ASP A 4 -18.347 -2.628 -4.227 1.00 0.00 O ATOM 45 CB ASP A 4 -19.632 -5.401 -2.678 1.00 0.00 C ATOM 46 CG ASP A 4 -19.793 -5.809 -4.144 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.132 -4.952 -4.944 1.00 0.00 O ATOM 48 OD2 ASP A 4 -19.575 -6.973 -4.443 1.00 0.00 O ATOM 0 H ASP A 4 -20.582 -2.867 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.531 -3.581 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.730 -5.849 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.472 -5.773 -2.092 1.00 0.00 H new ATOM 53 N ASN A 5 -17.142 -3.798 -2.810 1.00 0.00 N ATOM 54 CA ASN A 5 -15.867 -3.354 -3.442 1.00 0.00 C ATOM 55 C ASN A 5 -14.705 -4.137 -2.825 1.00 0.00 C ATOM 56 O ASN A 5 -14.337 -3.920 -1.686 1.00 0.00 O ATOM 57 CB ASN A 5 -15.661 -1.857 -3.190 1.00 0.00 C ATOM 58 CG ASN A 5 -14.321 -1.415 -3.779 1.00 0.00 C ATOM 59 OD1 ASN A 5 -13.772 -0.405 -3.382 1.00 0.00 O ATOM 60 ND2 ASN A 5 -13.765 -2.133 -4.716 1.00 0.00 N ATOM 0 H ASN A 5 -17.034 -4.430 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.908 -3.536 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -16.473 -1.287 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.684 -1.652 -2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.871 -1.847 -5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.225 -2.980 -5.050 1.00 0.00 H new ATOM 67 N GLU A 6 -14.125 -5.049 -3.560 1.00 0.00 N ATOM 68 CA GLU A 6 -12.991 -5.843 -3.002 1.00 0.00 C ATOM 69 C GLU A 6 -12.198 -6.490 -4.140 1.00 0.00 C ATOM 70 O GLU A 6 -12.713 -6.733 -5.214 1.00 0.00 O ATOM 71 CB GLU A 6 -13.541 -6.934 -2.080 1.00 0.00 C ATOM 72 CG GLU A 6 -14.567 -7.778 -2.839 1.00 0.00 C ATOM 73 CD GLU A 6 -15.175 -8.816 -1.893 1.00 0.00 C ATOM 74 OE1 GLU A 6 -16.168 -8.502 -1.259 1.00 0.00 O ATOM 75 OE2 GLU A 6 -14.636 -9.909 -1.820 1.00 0.00 O ATOM 0 H GLU A 6 -14.386 -5.278 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.333 -5.182 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.728 -7.566 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.004 -6.483 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.350 -7.138 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.091 -8.275 -3.684 1.00 0.00 H new ATOM 82 N ILE A 7 -10.941 -6.767 -3.907 1.00 0.00 N ATOM 83 CA ILE A 7 -10.085 -7.398 -4.961 1.00 0.00 C ATOM 84 C ILE A 7 -9.081 -8.338 -4.290 1.00 0.00 C ATOM 85 O ILE A 7 -8.856 -8.271 -3.098 1.00 0.00 O ATOM 86 CB ILE A 7 -9.336 -6.307 -5.733 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.628 -5.378 -4.742 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.330 -5.499 -6.572 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.844 -4.308 -5.508 1.00 0.00 C ATOM 0 H ILE A 7 -10.465 -6.582 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.708 -7.962 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.599 -6.767 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.359 -4.907 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.953 -5.953 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.796 -4.723 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.834 -6.161 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.068 -5.037 -5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.341 -3.649 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.102 -4.788 -6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.530 -3.725 -6.123 1.00 0.00 H new ATOM 101 N SER A 8 -8.480 -9.223 -5.048 1.00 0.00 N ATOM 102 CA SER A 8 -7.489 -10.186 -4.466 1.00 0.00 C ATOM 103 C SER A 8 -6.315 -10.354 -5.424 1.00 0.00 C ATOM 104 O SER A 8 -6.446 -10.208 -6.624 1.00 0.00 O ATOM 105 CB SER A 8 -8.165 -11.541 -4.253 1.00 0.00 C ATOM 106 OG SER A 8 -8.452 -12.127 -5.516 1.00 0.00 O ATOM 0 H SER A 8 -8.634 -9.321 -6.052 1.00 0.00 H new ATOM 0 HA SER A 8 -7.127 -9.801 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.515 -12.197 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.084 -11.416 -3.680 1.00 0.00 H new ATOM 0 HG SER A 8 -8.884 -12.997 -5.383 1.00 0.00 H new ATOM 112 N VAL A 9 -5.163 -10.665 -4.895 1.00 0.00 N ATOM 113 CA VAL A 9 -3.952 -10.856 -5.749 1.00 0.00 C ATOM 114 C VAL A 9 -3.077 -11.931 -5.112 1.00 0.00 C ATOM 115 O VAL A 9 -2.321 -11.668 -4.198 1.00 0.00 O ATOM 116 CB VAL A 9 -3.169 -9.544 -5.834 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.953 -9.732 -6.742 1.00 0.00 C ATOM 118 CG2 VAL A 9 -4.069 -8.447 -6.409 1.00 0.00 C ATOM 0 H VAL A 9 -5.006 -10.797 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.248 -11.158 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.837 -9.256 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.396 -8.797 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.311 -10.512 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.285 -10.021 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.511 -7.513 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.403 -8.735 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.935 -8.311 -5.762 1.00 0.00 H new ATOM 128 N GLY A 10 -3.181 -13.145 -5.575 1.00 0.00 N ATOM 129 CA GLY A 10 -2.365 -14.240 -4.983 1.00 0.00 C ATOM 130 C GLY A 10 -2.965 -14.638 -3.634 1.00 0.00 C ATOM 131 O GLY A 10 -4.059 -15.162 -3.563 1.00 0.00 O ATOM 0 H GLY A 10 -3.796 -13.426 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.345 -15.099 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.333 -13.913 -4.854 1.00 0.00 H new ATOM 135 N ASN A 11 -2.251 -14.395 -2.560 1.00 0.00 N ATOM 136 CA ASN A 11 -2.760 -14.758 -1.195 1.00 0.00 C ATOM 137 C ASN A 11 -3.208 -13.497 -0.448 1.00 0.00 C ATOM 138 O ASN A 11 -3.548 -13.552 0.718 1.00 0.00 O ATOM 139 CB ASN A 11 -1.634 -15.431 -0.409 1.00 0.00 C ATOM 140 CG ASN A 11 -0.440 -14.479 -0.308 1.00 0.00 C ATOM 141 OD1 ASN A 11 0.261 -14.262 -1.277 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.177 -13.898 0.830 1.00 0.00 N ATOM 0 H ASN A 11 -1.330 -13.957 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.609 -15.435 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.983 -15.700 0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.334 -16.356 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.617 -13.262 0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.765 -14.080 1.643 1.00 0.00 H new ATOM 149 N LEU A 12 -3.206 -12.359 -1.101 1.00 0.00 N ATOM 150 CA LEU A 12 -3.624 -11.087 -0.428 1.00 0.00 C ATOM 151 C LEU A 12 -5.060 -10.754 -0.831 1.00 0.00 C ATOM 152 O LEU A 12 -5.380 -10.682 -2.001 1.00 0.00 O ATOM 153 CB LEU A 12 -2.705 -9.943 -0.882 1.00 0.00 C ATOM 154 CG LEU A 12 -1.230 -10.343 -0.728 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.346 -9.260 -1.352 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.879 -10.496 0.760 1.00 0.00 C ATOM 0 H LEU A 12 -2.931 -12.256 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.557 -11.209 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.913 -9.693 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.909 -9.049 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.061 -11.294 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.702 -9.540 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.588 -9.158 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.522 -8.311 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.169 -10.780 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.049 -9.549 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.508 -11.268 1.205 1.00 0.00 H new ATOM 168 N ARG A 13 -5.922 -10.545 0.133 1.00 0.00 N ATOM 169 CA ARG A 13 -7.352 -10.202 -0.167 1.00 0.00 C ATOM 170 C ARG A 13 -7.651 -8.813 0.401 1.00 0.00 C ATOM 171 O ARG A 13 -7.445 -8.555 1.567 1.00 0.00 O ATOM 172 CB ARG A 13 -8.256 -11.254 0.481 1.00 0.00 C ATOM 173 CG ARG A 13 -8.299 -12.515 -0.386 1.00 0.00 C ATOM 174 CD ARG A 13 -9.225 -13.547 0.261 1.00 0.00 C ATOM 175 NE ARG A 13 -10.618 -13.021 0.277 1.00 0.00 N ATOM 176 CZ ARG A 13 -11.308 -12.968 -0.830 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.777 -13.371 -1.951 1.00 0.00 N ATOM 178 NH2 ARG A 13 -12.529 -12.507 -0.815 1.00 0.00 N ATOM 0 H ARG A 13 -5.696 -10.597 1.126 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.532 -10.193 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.886 -11.500 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.262 -10.854 0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.654 -12.269 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.296 -12.928 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.185 -14.485 -0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.894 -13.762 1.277 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.033 -12.702 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.822 -13.728 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.317 -13.329 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.943 -12.189 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.069 -12.465 -1.679 1.00 0.00 H new ATOM 192 N LEU A 14 -8.126 -7.915 -0.432 1.00 0.00 N ATOM 193 CA LEU A 14 -8.436 -6.518 0.020 1.00 0.00 C ATOM 194 C LEU A 14 -9.956 -6.330 0.103 1.00 0.00 C ATOM 195 O LEU A 14 -10.693 -6.820 -0.730 1.00 0.00 O ATOM 196 CB LEU A 14 -7.854 -5.527 -1.007 1.00 0.00 C ATOM 197 CG LEU A 14 -7.758 -4.104 -0.398 1.00 0.00 C ATOM 198 CD1 LEU A 14 -6.420 -3.927 0.342 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.855 -3.050 -1.513 1.00 0.00 C ATOM 0 H LEU A 14 -8.314 -8.093 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.998 -6.340 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.866 -5.861 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.483 -5.506 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.580 -3.975 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.368 -2.923 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.348 -4.662 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.596 -4.070 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.787 -2.053 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.039 -3.193 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.808 -3.155 -2.031 1.00 0.00 H new ATOM 211 N ASN A 15 -10.430 -5.618 1.100 1.00 0.00 N ATOM 212 CA ASN A 15 -11.905 -5.379 1.249 1.00 0.00 C ATOM 213 C ASN A 15 -12.143 -3.905 1.591 1.00 0.00 C ATOM 214 O ASN A 15 -12.028 -3.496 2.729 1.00 0.00 O ATOM 215 CB ASN A 15 -12.444 -6.263 2.374 1.00 0.00 C ATOM 216 CG ASN A 15 -11.929 -7.689 2.183 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.038 -8.122 2.884 1.00 0.00 O ATOM 218 ND2 ASN A 15 -12.453 -8.439 1.252 1.00 0.00 N ATOM 0 H ASN A 15 -9.854 -5.188 1.823 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.418 -5.622 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.126 -5.875 3.342 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.534 -6.254 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.114 -9.391 1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.202 -8.073 0.664 1.00 0.00 H new ATOM 225 N VAL A 16 -12.462 -3.104 0.612 1.00 0.00 N ATOM 226 CA VAL A 16 -12.695 -1.652 0.864 1.00 0.00 C ATOM 227 C VAL A 16 -14.068 -1.447 1.506 1.00 0.00 C ATOM 228 O VAL A 16 -14.285 -0.509 2.246 1.00 0.00 O ATOM 229 CB VAL A 16 -12.642 -0.902 -0.472 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.550 0.605 -0.218 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.417 -1.365 -1.266 1.00 0.00 C ATOM 0 H VAL A 16 -12.572 -3.395 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.927 -1.272 1.538 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.547 -1.113 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.513 1.133 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.424 0.933 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.648 0.823 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.377 -0.833 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.513 -1.155 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.488 -2.437 -1.453 1.00 0.00 H new ATOM 241 N THR A 17 -14.994 -2.313 1.222 1.00 0.00 N ATOM 242 CA THR A 17 -16.359 -2.171 1.806 1.00 0.00 C ATOM 243 C THR A 17 -16.260 -2.160 3.334 1.00 0.00 C ATOM 244 O THR A 17 -16.751 -1.260 3.988 1.00 0.00 O ATOM 245 CB THR A 17 -17.249 -3.346 1.345 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.191 -3.659 2.363 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.387 -4.581 1.055 1.00 0.00 C ATOM 0 H THR A 17 -14.868 -3.118 0.608 1.00 0.00 H new ATOM 0 HA THR A 17 -16.804 -1.236 1.467 1.00 0.00 H new ATOM 0 HB THR A 17 -17.773 -3.054 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.756 -4.404 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.026 -5.403 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.669 -4.347 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.852 -4.872 1.959 1.00 0.00 H new ATOM 255 N ARG A 18 -15.626 -3.150 3.909 1.00 0.00 N ATOM 256 CA ARG A 18 -15.486 -3.204 5.399 1.00 0.00 C ATOM 257 C ARG A 18 -14.127 -2.626 5.787 1.00 0.00 C ATOM 258 O ARG A 18 -13.845 -2.396 6.945 1.00 0.00 O ATOM 259 CB ARG A 18 -15.573 -4.659 5.861 1.00 0.00 C ATOM 260 CG ARG A 18 -14.692 -5.539 4.969 1.00 0.00 C ATOM 261 CD ARG A 18 -14.597 -6.951 5.561 1.00 0.00 C ATOM 262 NE ARG A 18 -14.094 -7.890 4.520 1.00 0.00 N ATOM 263 CZ ARG A 18 -14.880 -8.269 3.548 1.00 0.00 C ATOM 264 NH1 ARG A 18 -16.106 -7.826 3.489 1.00 0.00 N ATOM 265 NH2 ARG A 18 -14.440 -9.093 2.637 1.00 0.00 N ATOM 0 H ARG A 18 -15.196 -3.928 3.409 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.281 -2.627 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.252 -4.740 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.607 -5.002 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.108 -5.584 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.697 -5.103 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.928 -6.952 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.575 -7.275 5.917 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.136 -8.237 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.451 -7.183 4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.719 -8.122 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.482 -9.441 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.054 -9.389 1.878 1.00 0.00 H new ATOM 279 N ARG A 19 -13.287 -2.403 4.816 1.00 0.00 N ATOM 280 CA ARG A 19 -11.931 -1.846 5.089 1.00 0.00 C ATOM 281 C ARG A 19 -11.125 -2.856 5.914 1.00 0.00 C ATOM 282 O ARG A 19 -10.902 -2.676 7.095 1.00 0.00 O ATOM 283 CB ARG A 19 -12.054 -0.508 5.852 1.00 0.00 C ATOM 284 CG ARG A 19 -10.757 0.325 5.700 1.00 0.00 C ATOM 285 CD ARG A 19 -10.808 1.172 4.421 1.00 0.00 C ATOM 286 NE ARG A 19 -11.980 2.091 4.480 1.00 0.00 N ATOM 287 CZ ARG A 19 -11.954 3.134 5.264 1.00 0.00 C ATOM 288 NH1 ARG A 19 -10.902 3.374 5.998 1.00 0.00 N ATOM 289 NH2 ARG A 19 -12.982 3.937 5.312 1.00 0.00 N ATOM 0 H ARG A 19 -13.484 -2.585 3.832 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.416 -1.661 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.904 0.058 5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.248 -0.701 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.630 0.973 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.893 -0.339 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.887 1.746 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.883 0.525 3.547 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.803 1.905 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.099 2.746 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.883 4.189 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.803 3.749 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.964 4.753 5.924 1.00 0.00 H new ATOM 303 N LEU A 20 -10.685 -3.920 5.294 1.00 0.00 N ATOM 304 CA LEU A 20 -9.893 -4.952 6.016 1.00 0.00 C ATOM 305 C LEU A 20 -9.058 -5.725 4.991 1.00 0.00 C ATOM 306 O LEU A 20 -9.405 -5.790 3.828 1.00 0.00 O ATOM 307 CB LEU A 20 -10.853 -5.904 6.747 1.00 0.00 C ATOM 308 CG LEU A 20 -10.079 -7.010 7.486 1.00 0.00 C ATOM 309 CD1 LEU A 20 -9.137 -6.401 8.543 1.00 0.00 C ATOM 310 CD2 LEU A 20 -11.087 -7.942 8.170 1.00 0.00 C ATOM 0 H LEU A 20 -10.844 -4.117 4.306 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.233 -4.487 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.457 -5.341 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.541 -6.353 6.030 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.475 -7.567 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.599 -7.199 9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.423 -5.737 8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.722 -5.835 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.552 -8.731 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.686 -7.372 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.740 -8.386 7.419 1.00 0.00 H new ATOM 322 N VAL A 21 -7.951 -6.297 5.405 1.00 0.00 N ATOM 323 CA VAL A 21 -7.079 -7.052 4.450 1.00 0.00 C ATOM 324 C VAL A 21 -6.544 -8.319 5.127 1.00 0.00 C ATOM 325 O VAL A 21 -6.066 -8.276 6.244 1.00 0.00 O ATOM 326 CB VAL A 21 -5.906 -6.155 4.052 1.00 0.00 C ATOM 327 CG1 VAL A 21 -5.156 -6.777 2.870 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.434 -4.768 3.663 1.00 0.00 C ATOM 0 H VAL A 21 -7.614 -6.273 6.367 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.653 -7.336 3.568 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.221 -6.057 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.321 -6.134 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.778 -7.759 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.834 -6.881 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.599 -4.127 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.121 -4.863 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.958 -4.327 4.511 1.00 0.00 H new ATOM 338 N TRP A 22 -6.607 -9.446 4.453 1.00 0.00 N ATOM 339 CA TRP A 22 -6.089 -10.723 5.047 1.00 0.00 C ATOM 340 C TRP A 22 -4.699 -11.019 4.474 1.00 0.00 C ATOM 341 O TRP A 22 -4.422 -10.751 3.319 1.00 0.00 O ATOM 342 CB TRP A 22 -7.042 -11.873 4.703 1.00 0.00 C ATOM 343 CG TRP A 22 -8.307 -11.744 5.494 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.419 -11.998 6.818 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.635 -11.341 5.041 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.729 -11.780 7.207 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.516 -11.375 6.148 1.00 0.00 C ATOM 348 CE3 TRP A 22 -10.157 -10.954 3.791 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.865 -11.039 6.021 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -11.514 -10.617 3.662 1.00 0.00 C ATOM 351 CH2 TRP A 22 -12.366 -10.660 4.775 1.00 0.00 C ATOM 0 H TRP A 22 -6.996 -9.536 3.514 1.00 0.00 H new ATOM 0 HA TRP A 22 -6.024 -10.622 6.130 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -7.268 -11.863 3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.564 -12.829 4.919 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.617 -12.319 7.466 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.071 -11.904 8.160 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.510 -10.916 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.517 -11.072 6.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.904 -10.323 2.699 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -13.409 -10.400 4.668 1.00 0.00 H new ATOM 362 N LEU A 23 -3.828 -11.573 5.287 1.00 0.00 N ATOM 363 CA LEU A 23 -2.433 -11.908 4.844 1.00 0.00 C ATOM 364 C LEU A 23 -2.231 -13.421 4.950 1.00 0.00 C ATOM 365 O LEU A 23 -1.990 -13.948 6.018 1.00 0.00 O ATOM 366 CB LEU A 23 -1.437 -11.194 5.777 1.00 0.00 C ATOM 367 CG LEU A 23 0.016 -11.336 5.254 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.314 -10.268 4.194 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.008 -11.154 6.413 1.00 0.00 C ATOM 0 H LEU A 23 -4.029 -11.812 6.258 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.273 -11.587 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.698 -10.138 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.509 -11.614 6.780 1.00 0.00 H new ATOM 0 HG LEU A 23 0.122 -12.328 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.338 -10.384 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.375 -10.383 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.191 -9.277 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.027 -11.255 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.878 -10.164 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.823 -11.914 7.173 1.00 0.00 H new ATOM 381 N GLY A 24 -2.327 -14.126 3.857 1.00 0.00 N ATOM 382 CA GLY A 24 -2.141 -15.603 3.911 1.00 0.00 C ATOM 383 C GLY A 24 -3.298 -16.234 4.685 1.00 0.00 C ATOM 384 O GLY A 24 -4.168 -16.863 4.115 1.00 0.00 O ATOM 0 H GLY A 24 -2.525 -13.745 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.099 -16.012 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.193 -15.844 4.392 1.00 0.00 H new ATOM 388 N GLU A 25 -3.317 -16.074 5.982 1.00 0.00 N ATOM 389 CA GLU A 25 -4.417 -16.666 6.802 1.00 0.00 C ATOM 390 C GLU A 25 -4.582 -15.858 8.090 1.00 0.00 C ATOM 391 O GLU A 25 -5.083 -16.354 9.080 1.00 0.00 O ATOM 392 CB GLU A 25 -4.067 -18.111 7.165 1.00 0.00 C ATOM 393 CG GLU A 25 -4.103 -18.998 5.912 1.00 0.00 C ATOM 394 CD GLU A 25 -4.080 -20.472 6.325 1.00 0.00 C ATOM 395 OE1 GLU A 25 -3.593 -20.757 7.407 1.00 0.00 O ATOM 396 OE2 GLU A 25 -4.548 -21.291 5.551 1.00 0.00 O ATOM 0 H GLU A 25 -2.615 -15.557 6.512 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.344 -16.645 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.076 -18.150 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.772 -18.488 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.000 -18.787 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.249 -18.776 5.272 1.00 0.00 H new ATOM 403 N THR A 26 -4.156 -14.619 8.087 1.00 0.00 N ATOM 404 CA THR A 26 -4.278 -13.764 9.315 1.00 0.00 C ATOM 405 C THR A 26 -4.711 -12.351 8.929 1.00 0.00 C ATOM 406 O THR A 26 -4.293 -11.810 7.926 1.00 0.00 O ATOM 407 CB THR A 26 -2.923 -13.699 10.024 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.952 -13.158 9.138 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.499 -15.104 10.454 1.00 0.00 C ATOM 0 H THR A 26 -3.727 -14.158 7.285 1.00 0.00 H new ATOM 0 HA THR A 26 -5.025 -14.199 9.979 1.00 0.00 H new ATOM 0 HB THR A 26 -3.005 -13.063 10.906 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.084 -13.114 9.591 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.534 -15.054 10.958 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.244 -15.516 11.135 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.417 -15.744 9.576 1.00 0.00 H new ATOM 417 N ALA A 27 -5.554 -11.751 9.728 1.00 0.00 N ATOM 418 CA ALA A 27 -6.028 -10.373 9.424 1.00 0.00 C ATOM 419 C ALA A 27 -4.860 -9.392 9.544 1.00 0.00 C ATOM 420 O ALA A 27 -4.238 -9.274 10.581 1.00 0.00 O ATOM 421 CB ALA A 27 -7.123 -9.982 10.417 1.00 0.00 C ATOM 0 H ALA A 27 -5.935 -12.160 10.581 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.426 -10.342 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.471 -8.973 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.956 -10.680 10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.723 -10.014 11.431 1.00 0.00 H new ATOM 427 N LEU A 28 -4.561 -8.680 8.490 1.00 0.00 N ATOM 428 CA LEU A 28 -3.439 -7.701 8.538 1.00 0.00 C ATOM 429 C LEU A 28 -3.922 -6.439 9.258 1.00 0.00 C ATOM 430 O LEU A 28 -4.951 -5.883 8.926 1.00 0.00 O ATOM 431 CB LEU A 28 -3.012 -7.373 7.097 1.00 0.00 C ATOM 432 CG LEU A 28 -1.621 -6.709 7.061 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.531 -7.660 7.619 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.294 -6.340 5.602 1.00 0.00 C ATOM 0 H LEU A 28 -5.048 -8.735 7.595 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.585 -8.112 9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.996 -8.287 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.746 -6.709 6.640 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.636 -5.817 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.439 -7.164 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.767 -7.917 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.498 -8.568 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.312 -5.868 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.291 -7.242 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.047 -5.648 5.224 1.00 0.00 H new ATOM 446 N ASP A 29 -3.192 -5.987 10.249 1.00 0.00 N ATOM 447 CA ASP A 29 -3.605 -4.764 11.013 1.00 0.00 C ATOM 448 C ASP A 29 -2.794 -3.556 10.541 1.00 0.00 C ATOM 449 O ASP A 29 -1.607 -3.464 10.782 1.00 0.00 O ATOM 450 CB ASP A 29 -3.340 -4.991 12.503 1.00 0.00 C ATOM 451 CG ASP A 29 -1.899 -5.470 12.698 1.00 0.00 C ATOM 452 OD1 ASP A 29 -1.026 -4.625 12.803 1.00 0.00 O ATOM 453 OD2 ASP A 29 -1.695 -6.672 12.738 1.00 0.00 O ATOM 0 H ASP A 29 -2.322 -6.415 10.565 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.665 -4.576 10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.506 -4.067 13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.037 -5.730 12.899 1.00 0.00 H new ATOM 458 N LEU A 30 -3.431 -2.627 9.869 1.00 0.00 N ATOM 459 CA LEU A 30 -2.718 -1.407 9.369 1.00 0.00 C ATOM 460 C LEU A 30 -3.570 -0.172 9.678 1.00 0.00 C ATOM 461 O LEU A 30 -4.784 -0.223 9.662 1.00 0.00 O ATOM 462 CB LEU A 30 -2.503 -1.513 7.848 1.00 0.00 C ATOM 463 CG LEU A 30 -3.830 -1.901 7.126 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.894 -1.229 5.747 1.00 0.00 C ATOM 465 CD2 LEU A 30 -3.913 -3.427 6.936 1.00 0.00 C ATOM 0 H LEU A 30 -4.425 -2.662 9.643 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.749 -1.324 9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.138 -0.562 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.737 -2.259 7.636 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.664 -1.565 7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.824 -1.506 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.855 -0.146 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.048 -1.557 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.845 -3.681 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.070 -3.765 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.883 -3.917 7.909 1.00 0.00 H new ATOM 477 N THR A 31 -2.946 0.935 9.972 1.00 0.00 N ATOM 478 CA THR A 31 -3.726 2.165 10.292 1.00 0.00 C ATOM 479 C THR A 31 -4.640 2.518 9.101 1.00 0.00 C ATOM 480 O THR A 31 -4.224 2.408 7.965 1.00 0.00 O ATOM 481 CB THR A 31 -2.758 3.324 10.542 1.00 0.00 C ATOM 482 OG1 THR A 31 -2.049 3.611 9.344 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.768 2.937 11.643 1.00 0.00 C ATOM 0 H THR A 31 -1.932 1.042 10.005 1.00 0.00 H new ATOM 0 HA THR A 31 -4.333 1.991 11.180 1.00 0.00 H new ATOM 0 HB THR A 31 -3.318 4.205 10.855 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.429 4.354 9.501 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.079 3.763 11.820 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.313 2.716 12.561 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.206 2.056 11.334 1.00 0.00 H new ATOM 491 N PRO A 32 -5.869 2.956 9.327 1.00 0.00 N ATOM 492 CA PRO A 32 -6.785 3.329 8.205 1.00 0.00 C ATOM 493 C PRO A 32 -6.075 4.175 7.138 1.00 0.00 C ATOM 494 O PRO A 32 -6.230 3.957 5.952 1.00 0.00 O ATOM 495 CB PRO A 32 -7.884 4.148 8.900 1.00 0.00 C ATOM 496 CG PRO A 32 -7.959 3.583 10.284 1.00 0.00 C ATOM 497 CD PRO A 32 -6.529 3.137 10.642 1.00 0.00 C ATOM 0 HA PRO A 32 -7.162 2.455 7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.636 5.209 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.838 4.053 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.323 4.329 10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.651 2.742 10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.017 3.886 11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.532 2.211 11.218 1.00 0.00 H new ATOM 505 N LYS A 33 -5.298 5.139 7.555 1.00 0.00 N ATOM 506 CA LYS A 33 -4.579 5.998 6.572 1.00 0.00 C ATOM 507 C LYS A 33 -3.787 5.104 5.615 1.00 0.00 C ATOM 508 O LYS A 33 -3.819 5.280 4.413 1.00 0.00 O ATOM 509 CB LYS A 33 -3.618 6.938 7.318 1.00 0.00 C ATOM 510 CG LYS A 33 -4.400 8.083 7.981 1.00 0.00 C ATOM 511 CD LYS A 33 -5.317 7.536 9.089 1.00 0.00 C ATOM 512 CE LYS A 33 -5.739 8.675 10.023 1.00 0.00 C ATOM 513 NZ LYS A 33 -6.175 9.847 9.213 1.00 0.00 N ATOM 0 H LYS A 33 -5.131 5.368 8.535 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.296 6.594 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.066 6.380 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.884 7.345 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.706 8.810 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.995 8.606 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.198 7.070 8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.797 6.763 9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.551 8.346 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.908 8.956 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.751 10.482 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.339 10.360 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.740 9.519 8.404 1.00 0.00 H new ATOM 527 N GLU A 34 -3.081 4.143 6.141 1.00 0.00 N ATOM 528 CA GLU A 34 -2.291 3.234 5.266 1.00 0.00 C ATOM 529 C GLU A 34 -3.236 2.526 4.291 1.00 0.00 C ATOM 530 O GLU A 34 -2.889 2.266 3.156 1.00 0.00 O ATOM 531 CB GLU A 34 -1.571 2.197 6.136 1.00 0.00 C ATOM 532 CG GLU A 34 -0.860 1.170 5.245 1.00 0.00 C ATOM 533 CD GLU A 34 0.110 0.341 6.091 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.019 0.415 7.306 1.00 0.00 O ATOM 535 OE2 GLU A 34 0.928 -0.352 5.510 1.00 0.00 O ATOM 0 H GLU A 34 -3.017 3.948 7.140 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.555 3.807 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.847 2.692 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.288 1.694 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.592 0.518 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.319 1.678 4.447 1.00 0.00 H new ATOM 542 N TYR A 35 -4.427 2.213 4.723 1.00 0.00 N ATOM 543 CA TYR A 35 -5.388 1.525 3.818 1.00 0.00 C ATOM 544 C TYR A 35 -5.586 2.376 2.557 1.00 0.00 C ATOM 545 O TYR A 35 -5.790 1.861 1.475 1.00 0.00 O ATOM 546 CB TYR A 35 -6.731 1.338 4.541 1.00 0.00 C ATOM 547 CG TYR A 35 -7.578 0.321 3.799 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.217 0.680 2.606 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.722 -0.981 4.304 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.996 -0.259 1.917 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.503 -1.917 3.614 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.139 -1.556 2.423 1.00 0.00 C ATOM 553 OH TYR A 35 -9.904 -2.482 1.743 1.00 0.00 O ATOM 0 H TYR A 35 -4.775 2.404 5.663 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.997 0.547 3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.560 1.005 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.258 2.290 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.109 1.682 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.231 -1.261 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.486 0.018 0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.614 -2.919 4.003 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.360 -3.065 2.386 1.00 0.00 H new ATOM 563 N ALA A 36 -5.525 3.673 2.693 1.00 0.00 N ATOM 564 CA ALA A 36 -5.708 4.558 1.504 1.00 0.00 C ATOM 565 C ALA A 36 -4.515 4.400 0.561 1.00 0.00 C ATOM 566 O ALA A 36 -4.668 4.130 -0.615 1.00 0.00 O ATOM 567 CB ALA A 36 -5.791 6.020 1.955 1.00 0.00 C ATOM 0 H ALA A 36 -5.357 4.159 3.574 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.628 4.278 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.924 6.662 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.637 6.145 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.871 6.294 2.471 1.00 0.00 H new ATOM 573 N LEU A 37 -3.327 4.555 1.072 1.00 0.00 N ATOM 574 CA LEU A 37 -2.126 4.408 0.205 1.00 0.00 C ATOM 575 C LEU A 37 -2.075 2.967 -0.303 1.00 0.00 C ATOM 576 O LEU A 37 -1.694 2.701 -1.426 1.00 0.00 O ATOM 577 CB LEU A 37 -0.858 4.719 1.011 1.00 0.00 C ATOM 578 CG LEU A 37 -0.746 6.227 1.286 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.879 6.690 2.218 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.609 6.523 1.949 1.00 0.00 C ATOM 0 H LEU A 37 -3.136 4.776 2.049 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.183 5.102 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.877 4.173 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.020 4.378 0.463 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.825 6.764 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.784 7.760 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.842 6.486 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.815 6.152 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.692 7.592 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.682 5.975 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.415 6.213 1.284 1.00 0.00 H new ATOM 592 N LEU A 38 -2.462 2.036 0.525 1.00 0.00 N ATOM 593 CA LEU A 38 -2.450 0.603 0.115 1.00 0.00 C ATOM 594 C LEU A 38 -3.449 0.394 -1.025 1.00 0.00 C ATOM 595 O LEU A 38 -3.149 -0.234 -2.021 1.00 0.00 O ATOM 596 CB LEU A 38 -2.855 -0.259 1.319 1.00 0.00 C ATOM 597 CG LEU A 38 -2.658 -1.759 1.012 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.165 -2.138 1.059 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.424 -2.588 2.053 1.00 0.00 C ATOM 0 H LEU A 38 -2.789 2.208 1.476 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.454 0.319 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.259 0.020 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.898 -0.069 1.573 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.036 -1.964 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.052 -3.200 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.618 -1.554 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.768 -1.929 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.290 -3.649 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.042 -2.364 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.484 -2.340 2.007 1.00 0.00 H new ATOM 611 N SER A 39 -4.637 0.913 -0.883 1.00 0.00 N ATOM 612 CA SER A 39 -5.663 0.743 -1.950 1.00 0.00 C ATOM 613 C SER A 39 -5.097 1.201 -3.297 1.00 0.00 C ATOM 614 O SER A 39 -5.481 0.710 -4.339 1.00 0.00 O ATOM 615 CB SER A 39 -6.895 1.580 -1.607 1.00 0.00 C ATOM 616 OG SER A 39 -7.428 1.142 -0.365 1.00 0.00 O ATOM 0 H SER A 39 -4.943 1.449 -0.071 1.00 0.00 H new ATOM 0 HA SER A 39 -5.939 -0.309 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.628 2.635 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.645 1.483 -2.392 1.00 0.00 H new ATOM 0 HG SER A 39 -7.018 1.652 0.365 1.00 0.00 H new ATOM 622 N ARG A 40 -4.193 2.144 -3.289 1.00 0.00 N ATOM 623 CA ARG A 40 -3.616 2.633 -4.577 1.00 0.00 C ATOM 624 C ARG A 40 -2.612 1.611 -5.124 1.00 0.00 C ATOM 625 O ARG A 40 -2.558 1.361 -6.312 1.00 0.00 O ATOM 626 CB ARG A 40 -2.914 3.982 -4.340 1.00 0.00 C ATOM 627 CG ARG A 40 -2.681 4.717 -5.683 1.00 0.00 C ATOM 628 CD ARG A 40 -3.913 5.557 -6.061 1.00 0.00 C ATOM 629 NE ARG A 40 -3.856 5.895 -7.511 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.865 6.493 -8.084 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.926 6.797 -7.387 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.814 6.789 -9.355 1.00 0.00 N ATOM 0 H ARG A 40 -3.830 2.596 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.416 2.763 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.520 4.603 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.960 3.819 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.805 5.361 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.473 3.992 -6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.826 5.003 -5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.942 6.469 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.027 5.659 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.967 6.567 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.714 7.264 -7.835 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.985 6.553 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.603 7.256 -9.802 1.00 0.00 H new ATOM 646 N LEU A 41 -1.810 1.025 -4.277 1.00 0.00 N ATOM 647 CA LEU A 41 -0.812 0.032 -4.770 1.00 0.00 C ATOM 648 C LEU A 41 -1.525 -1.146 -5.438 1.00 0.00 C ATOM 649 O LEU A 41 -1.127 -1.598 -6.493 1.00 0.00 O ATOM 650 CB LEU A 41 0.036 -0.485 -3.601 1.00 0.00 C ATOM 651 CG LEU A 41 0.812 0.671 -2.943 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.435 0.178 -1.630 1.00 0.00 C ATOM 653 CD2 LEU A 41 1.936 1.171 -3.874 1.00 0.00 C ATOM 0 H LEU A 41 -1.802 1.189 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.166 0.522 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.606 -0.966 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.734 -1.242 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 41 0.120 1.491 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.986 0.993 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.647 -0.162 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.116 -0.648 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.472 1.988 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.628 0.354 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.503 1.525 -4.810 1.00 0.00 H new ATOM 665 N MET A 42 -2.571 -1.655 -4.844 1.00 0.00 N ATOM 666 CA MET A 42 -3.284 -2.807 -5.465 1.00 0.00 C ATOM 667 C MET A 42 -3.926 -2.368 -6.782 1.00 0.00 C ATOM 668 O MET A 42 -3.966 -3.111 -7.742 1.00 0.00 O ATOM 669 CB MET A 42 -4.374 -3.306 -4.513 1.00 0.00 C ATOM 670 CG MET A 42 -3.737 -3.819 -3.218 1.00 0.00 C ATOM 671 SD MET A 42 -2.930 -5.410 -3.533 1.00 0.00 S ATOM 672 CE MET A 42 -4.356 -6.472 -3.190 1.00 0.00 C ATOM 0 H MET A 42 -2.960 -1.325 -3.961 1.00 0.00 H new ATOM 0 HA MET A 42 -2.571 -3.608 -5.659 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.073 -2.499 -4.291 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.947 -4.102 -4.987 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.010 -3.097 -2.847 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.498 -3.931 -2.445 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.074 -7.516 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.686 -6.317 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.168 -6.223 -3.873 1.00 0.00 H new ATOM 682 N MET A 43 -4.429 -1.169 -6.834 1.00 0.00 N ATOM 683 CA MET A 43 -5.071 -0.685 -8.085 1.00 0.00 C ATOM 684 C MET A 43 -4.062 -0.772 -9.227 1.00 0.00 C ATOM 685 O MET A 43 -4.414 -1.003 -10.367 1.00 0.00 O ATOM 686 CB MET A 43 -5.515 0.769 -7.904 1.00 0.00 C ATOM 687 CG MET A 43 -6.354 1.202 -9.107 1.00 0.00 C ATOM 688 SD MET A 43 -6.886 2.918 -8.885 1.00 0.00 S ATOM 689 CE MET A 43 -8.211 2.905 -10.116 1.00 0.00 C ATOM 0 H MET A 43 -4.423 -0.502 -6.063 1.00 0.00 H new ATOM 0 HA MET A 43 -5.941 -1.300 -8.314 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.096 0.871 -6.987 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.644 1.416 -7.803 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.772 1.106 -10.023 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.222 0.551 -9.212 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.687 3.885 -10.149 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.795 2.671 -11.096 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.951 2.151 -9.846 1.00 0.00 H new ATOM 699 N LYS A 44 -2.803 -0.583 -8.918 1.00 0.00 N ATOM 700 CA LYS A 44 -1.725 -0.641 -9.959 1.00 0.00 C ATOM 701 C LYS A 44 -0.785 -1.813 -9.651 1.00 0.00 C ATOM 702 O LYS A 44 0.421 -1.689 -9.731 1.00 0.00 O ATOM 703 CB LYS A 44 -0.937 0.670 -9.915 1.00 0.00 C ATOM 704 CG LYS A 44 -1.774 1.794 -10.529 1.00 0.00 C ATOM 705 CD LYS A 44 -1.032 3.123 -10.379 1.00 0.00 C ATOM 706 CE LYS A 44 -1.952 4.272 -10.795 1.00 0.00 C ATOM 707 NZ LYS A 44 -2.511 3.995 -12.149 1.00 0.00 N ATOM 0 H LYS A 44 -2.470 -0.388 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.163 -0.781 -10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.679 0.916 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.000 0.561 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.963 1.587 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.745 1.850 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.710 3.257 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.133 3.121 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.760 4.385 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.398 5.211 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.862 4.880 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.767 3.595 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.295 3.316 -12.069 1.00 0.00 H new ATOM 721 N ALA A 45 -1.327 -2.946 -9.296 1.00 0.00 N ATOM 722 CA ALA A 45 -0.468 -4.117 -8.976 1.00 0.00 C ATOM 723 C ALA A 45 0.214 -4.635 -10.247 1.00 0.00 C ATOM 724 O ALA A 45 -0.425 -4.880 -11.251 1.00 0.00 O ATOM 725 CB ALA A 45 -1.332 -5.230 -8.378 1.00 0.00 C ATOM 0 H ALA A 45 -2.330 -3.110 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 45 0.295 -3.813 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.705 -6.090 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.811 -4.869 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.096 -5.524 -9.098 1.00 0.00 H new ATOM 731 N GLY A 46 1.514 -4.809 -10.200 1.00 0.00 N ATOM 732 CA GLY A 46 2.270 -5.321 -11.391 1.00 0.00 C ATOM 733 C GLY A 46 3.020 -4.173 -12.070 1.00 0.00 C ATOM 734 O GLY A 46 3.862 -4.392 -12.918 1.00 0.00 O ATOM 0 H GLY A 46 2.090 -4.617 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.974 -6.093 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.581 -5.784 -12.097 1.00 0.00 H new ATOM 738 N SER A 47 2.719 -2.949 -11.701 1.00 0.00 N ATOM 739 CA SER A 47 3.407 -1.759 -12.311 1.00 0.00 C ATOM 740 C SER A 47 4.020 -0.914 -11.183 1.00 0.00 C ATOM 741 O SER A 47 3.523 -0.918 -10.074 1.00 0.00 O ATOM 742 CB SER A 47 2.369 -0.925 -13.071 1.00 0.00 C ATOM 743 OG SER A 47 1.196 -0.800 -12.278 1.00 0.00 O ATOM 0 H SER A 47 2.019 -2.719 -10.996 1.00 0.00 H new ATOM 0 HA SER A 47 4.191 -2.081 -12.997 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.774 0.061 -13.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.130 -1.400 -14.023 1.00 0.00 H new ATOM 0 HG SER A 47 1.424 -0.933 -11.334 1.00 0.00 H new ATOM 749 N PRO A 48 5.088 -0.191 -11.445 1.00 0.00 N ATOM 750 CA PRO A 48 5.741 0.655 -10.401 1.00 0.00 C ATOM 751 C PRO A 48 4.909 1.903 -10.083 1.00 0.00 C ATOM 752 O PRO A 48 4.636 2.713 -10.947 1.00 0.00 O ATOM 753 CB PRO A 48 7.087 1.034 -11.043 1.00 0.00 C ATOM 754 CG PRO A 48 6.809 1.034 -12.513 1.00 0.00 C ATOM 755 CD PRO A 48 5.792 -0.093 -12.741 1.00 0.00 C ATOM 0 HA PRO A 48 5.851 0.137 -9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.429 2.012 -10.703 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.866 0.317 -10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.408 1.995 -12.836 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.721 0.861 -13.084 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.105 0.144 -13.554 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.283 -1.030 -13.003 1.00 0.00 H new ATOM 763 N VAL A 49 4.497 2.060 -8.849 1.00 0.00 N ATOM 764 CA VAL A 49 3.676 3.247 -8.464 1.00 0.00 C ATOM 765 C VAL A 49 4.576 4.339 -7.890 1.00 0.00 C ATOM 766 O VAL A 49 5.406 4.088 -7.039 1.00 0.00 O ATOM 767 CB VAL A 49 2.660 2.829 -7.397 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.848 4.051 -6.947 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.721 1.775 -7.982 1.00 0.00 C ATOM 0 H VAL A 49 4.696 1.411 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 49 3.161 3.628 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 49 3.185 2.414 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.126 3.749 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.520 4.801 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.320 4.472 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.996 1.474 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.197 2.192 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.300 0.906 -8.296 1.00 0.00 H new ATOM 779 N HIS A 50 4.407 5.555 -8.331 1.00 0.00 N ATOM 780 CA HIS A 50 5.242 6.659 -7.788 1.00 0.00 C ATOM 781 C HIS A 50 4.768 6.974 -6.364 1.00 0.00 C ATOM 782 O HIS A 50 3.602 7.216 -6.127 1.00 0.00 O ATOM 783 CB HIS A 50 5.089 7.899 -8.683 1.00 0.00 C ATOM 784 CG HIS A 50 6.179 8.902 -8.392 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.236 10.127 -9.044 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.259 8.885 -7.536 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.313 10.787 -8.578 1.00 0.00 C ATOM 788 NE2 HIS A 50 7.967 10.074 -7.660 1.00 0.00 N ATOM 0 H HIS A 50 3.729 5.830 -9.042 1.00 0.00 H new ATOM 0 HA HIS A 50 6.292 6.367 -7.767 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.129 7.604 -9.732 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.113 8.356 -8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.515 8.073 -6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.610 11.772 -8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.811 10.345 -7.155 1.00 0.00 H new ATOM 797 N ARG A 51 5.662 6.961 -5.415 1.00 0.00 N ATOM 798 CA ARG A 51 5.269 7.246 -4.002 1.00 0.00 C ATOM 799 C ARG A 51 4.451 8.538 -3.941 1.00 0.00 C ATOM 800 O ARG A 51 3.802 8.827 -2.956 1.00 0.00 O ATOM 801 CB ARG A 51 6.525 7.380 -3.129 1.00 0.00 C ATOM 802 CG ARG A 51 7.318 8.633 -3.526 1.00 0.00 C ATOM 803 CD ARG A 51 8.688 8.617 -2.841 1.00 0.00 C ATOM 804 NE ARG A 51 8.511 8.793 -1.372 1.00 0.00 N ATOM 805 CZ ARG A 51 9.552 8.807 -0.584 1.00 0.00 C ATOM 806 NH1 ARG A 51 10.751 8.671 -1.082 1.00 0.00 N ATOM 807 NH2 ARG A 51 9.394 8.960 0.702 1.00 0.00 N ATOM 0 H ARG A 51 6.653 6.765 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 51 4.661 6.422 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.241 7.439 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.151 6.495 -3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.442 8.668 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.768 9.529 -3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.198 7.676 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.316 9.414 -3.241 1.00 0.00 H new ATOM 0 HE ARG A 51 7.575 8.903 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.875 8.554 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.564 8.682 -0.466 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.458 9.069 1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.207 8.971 1.318 1.00 0.00 H new ATOM 821 N GLU A 52 4.480 9.317 -4.986 1.00 0.00 N ATOM 822 CA GLU A 52 3.707 10.589 -4.984 1.00 0.00 C ATOM 823 C GLU A 52 2.205 10.286 -4.963 1.00 0.00 C ATOM 824 O GLU A 52 1.463 10.872 -4.201 1.00 0.00 O ATOM 825 CB GLU A 52 4.044 11.397 -6.241 1.00 0.00 C ATOM 826 CG GLU A 52 5.480 11.919 -6.151 1.00 0.00 C ATOM 827 CD GLU A 52 5.744 12.887 -7.306 1.00 0.00 C ATOM 828 OE1 GLU A 52 5.183 12.676 -8.369 1.00 0.00 O ATOM 829 OE2 GLU A 52 6.501 13.822 -7.108 1.00 0.00 O ATOM 0 H GLU A 52 5.005 9.128 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 52 3.971 11.165 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.929 10.773 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.350 12.231 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.636 12.423 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.184 11.088 -6.191 1.00 0.00 H new ATOM 836 N ILE A 53 1.748 9.379 -5.786 1.00 0.00 N ATOM 837 CA ILE A 53 0.291 9.058 -5.803 1.00 0.00 C ATOM 838 C ILE A 53 -0.161 8.613 -4.411 1.00 0.00 C ATOM 839 O ILE A 53 -1.280 8.854 -4.005 1.00 0.00 O ATOM 840 CB ILE A 53 0.028 7.933 -6.815 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.757 8.233 -8.135 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.475 7.814 -7.076 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.431 9.651 -8.625 1.00 0.00 C ATOM 0 H ILE A 53 2.318 8.849 -6.445 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.270 9.947 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 53 0.400 6.994 -6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.833 8.130 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.464 7.505 -8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.657 7.015 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.990 7.587 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.850 8.755 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.957 9.843 -9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.643 9.742 -8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.747 10.377 -7.876 1.00 0.00 H new ATOM 855 N LEU A 54 0.701 7.972 -3.675 1.00 0.00 N ATOM 856 CA LEU A 54 0.321 7.520 -2.309 1.00 0.00 C ATOM 857 C LEU A 54 0.170 8.748 -1.409 1.00 0.00 C ATOM 858 O LEU A 54 -0.789 8.888 -0.676 1.00 0.00 O ATOM 859 CB LEU A 54 1.415 6.593 -1.764 1.00 0.00 C ATOM 860 CG LEU A 54 1.857 5.611 -2.856 1.00 0.00 C ATOM 861 CD1 LEU A 54 2.871 4.627 -2.268 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.640 4.839 -3.387 1.00 0.00 C ATOM 0 H LEU A 54 1.653 7.741 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.623 6.975 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.267 7.182 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.042 6.045 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 54 2.314 6.164 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.188 3.927 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.737 5.175 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.411 4.077 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.961 4.143 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.176 4.285 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.082 5.541 -3.805 1.00 0.00 H new ATOM 874 N TYR A 55 1.101 9.652 -1.486 1.00 0.00 N ATOM 875 CA TYR A 55 1.001 10.887 -0.658 1.00 0.00 C ATOM 876 C TYR A 55 -0.263 11.637 -1.091 1.00 0.00 C ATOM 877 O TYR A 55 -0.959 12.225 -0.289 1.00 0.00 O ATOM 878 CB TYR A 55 2.252 11.768 -0.882 1.00 0.00 C ATOM 879 CG TYR A 55 3.344 11.391 0.106 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.139 11.606 1.475 1.00 0.00 C ATOM 881 CD2 TYR A 55 4.555 10.839 -0.340 1.00 0.00 C ATOM 882 CE1 TYR A 55 4.138 11.270 2.396 1.00 0.00 C ATOM 883 CE2 TYR A 55 5.553 10.503 0.584 1.00 0.00 C ATOM 884 CZ TYR A 55 5.344 10.719 1.951 1.00 0.00 C ATOM 885 OH TYR A 55 6.328 10.388 2.860 1.00 0.00 O ATOM 0 H TYR A 55 1.926 9.592 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 55 0.946 10.639 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.616 11.643 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.991 12.820 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.208 12.032 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.717 10.673 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.977 11.436 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.484 10.077 0.241 1.00 0.00 H new ATOM 0 HH TYR A 55 7.205 10.630 2.495 1.00 0.00 H new ATOM 895 N ASN A 56 -0.556 11.610 -2.359 1.00 0.00 N ATOM 896 CA ASN A 56 -1.763 12.308 -2.870 1.00 0.00 C ATOM 897 C ASN A 56 -3.028 11.575 -2.407 1.00 0.00 C ATOM 898 O ASN A 56 -4.102 12.143 -2.373 1.00 0.00 O ATOM 899 CB ASN A 56 -1.726 12.341 -4.400 1.00 0.00 C ATOM 900 CG ASN A 56 -0.521 13.159 -4.871 1.00 0.00 C ATOM 901 OD1 ASN A 56 -0.434 14.342 -4.603 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.420 12.578 -5.567 1.00 0.00 N ATOM 0 H ASN A 56 -0.004 11.129 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.776 13.326 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.665 11.326 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.647 12.778 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.226 13.117 -5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.349 11.586 -5.793 1.00 0.00 H new ATOM 909 N ASP A 57 -2.924 10.315 -2.063 1.00 0.00 N ATOM 910 CA ASP A 57 -4.139 9.579 -1.629 1.00 0.00 C ATOM 911 C ASP A 57 -4.800 10.333 -0.468 1.00 0.00 C ATOM 912 O ASP A 57 -5.967 10.663 -0.517 1.00 0.00 O ATOM 913 CB ASP A 57 -3.754 8.149 -1.206 1.00 0.00 C ATOM 914 CG ASP A 57 -4.944 7.204 -1.416 1.00 0.00 C ATOM 915 OD1 ASP A 57 -6.050 7.591 -1.082 1.00 0.00 O ATOM 916 OD2 ASP A 57 -4.725 6.115 -1.920 1.00 0.00 O ATOM 0 H ASP A 57 -2.059 9.774 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.849 9.514 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.899 7.806 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.451 8.139 -0.159 1.00 0.00 H new ATOM 921 N ILE A 58 -4.059 10.610 0.574 1.00 0.00 N ATOM 922 CA ILE A 58 -4.640 11.348 1.744 1.00 0.00 C ATOM 923 C ILE A 58 -4.372 12.847 1.587 1.00 0.00 C ATOM 924 O ILE A 58 -5.200 13.671 1.924 1.00 0.00 O ATOM 925 CB ILE A 58 -3.987 10.853 3.039 1.00 0.00 C ATOM 926 CG1 ILE A 58 -4.156 9.332 3.146 1.00 0.00 C ATOM 927 CG2 ILE A 58 -4.661 11.527 4.239 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.353 8.806 4.339 1.00 0.00 C ATOM 0 H ILE A 58 -3.075 10.358 0.668 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.714 11.169 1.785 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.926 11.102 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.210 9.081 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.817 8.853 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.198 11.176 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.544 12.608 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.722 11.277 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.475 7.725 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.298 9.043 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.713 9.275 5.255 1.00 0.00 H new ATOM 940 N TYR A 59 -3.219 13.205 1.081 1.00 0.00 N ATOM 941 CA TYR A 59 -2.870 14.654 0.898 1.00 0.00 C ATOM 942 C TYR A 59 -2.997 15.034 -0.574 1.00 0.00 C ATOM 943 O TYR A 59 -3.608 14.341 -1.363 1.00 0.00 O ATOM 944 CB TYR A 59 -1.427 14.888 1.351 1.00 0.00 C ATOM 945 CG TYR A 59 -1.240 14.336 2.745 1.00 0.00 C ATOM 946 CD1 TYR A 59 -1.509 15.143 3.857 1.00 0.00 C ATOM 947 CD2 TYR A 59 -0.799 13.020 2.924 1.00 0.00 C ATOM 948 CE1 TYR A 59 -1.336 14.632 5.149 1.00 0.00 C ATOM 949 CE2 TYR A 59 -0.626 12.510 4.216 1.00 0.00 C ATOM 950 CZ TYR A 59 -0.895 13.315 5.329 1.00 0.00 C ATOM 951 OH TYR A 59 -0.725 12.813 6.603 1.00 0.00 O ATOM 0 H TYR A 59 -2.495 12.551 0.783 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.550 15.265 1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.735 14.404 0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.199 15.954 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.850 16.158 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.592 12.398 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.543 15.254 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.285 11.495 4.354 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.416 11.885 6.550 1.00 0.00 H new ATOM 961 N SER A 60 -2.416 16.137 -0.941 1.00 0.00 N ATOM 962 CA SER A 60 -2.479 16.598 -2.353 1.00 0.00 C ATOM 963 C SER A 60 -1.538 17.792 -2.512 1.00 0.00 C ATOM 964 O SER A 60 -0.948 18.001 -3.554 1.00 0.00 O ATOM 965 CB SER A 60 -3.912 17.018 -2.695 1.00 0.00 C ATOM 966 OG SER A 60 -4.716 15.856 -2.848 1.00 0.00 O ATOM 0 H SER A 60 -1.892 16.748 -0.314 1.00 0.00 H new ATOM 0 HA SER A 60 -2.180 15.794 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.316 17.653 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.922 17.605 -3.613 1.00 0.00 H new ATOM 0 HG SER A 60 -4.177 15.059 -2.662 1.00 0.00 H new ATOM 972 N TRP A 61 -1.387 18.572 -1.475 1.00 0.00 N ATOM 973 CA TRP A 61 -0.476 19.749 -1.550 1.00 0.00 C ATOM 974 C TRP A 61 0.973 19.263 -1.465 1.00 0.00 C ATOM 975 O TRP A 61 1.584 19.275 -0.417 1.00 0.00 O ATOM 976 CB TRP A 61 -0.768 20.709 -0.392 1.00 0.00 C ATOM 977 CG TRP A 61 -0.590 20.001 0.914 1.00 0.00 C ATOM 978 CD1 TRP A 61 -1.470 19.126 1.450 1.00 0.00 C ATOM 979 CD2 TRP A 61 0.517 20.097 1.858 1.00 0.00 C ATOM 980 NE1 TRP A 61 -0.975 18.677 2.661 1.00 0.00 N ATOM 981 CE2 TRP A 61 0.248 19.247 2.956 1.00 0.00 C ATOM 982 CE3 TRP A 61 1.717 20.832 1.867 1.00 0.00 C ATOM 983 CZ2 TRP A 61 1.138 19.129 4.025 1.00 0.00 C ATOM 984 CZ3 TRP A 61 2.614 20.715 2.941 1.00 0.00 C ATOM 985 CH2 TRP A 61 2.324 19.866 4.018 1.00 0.00 C ATOM 0 H TRP A 61 -1.856 18.444 -0.578 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.634 20.275 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.100 21.569 -0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.786 21.091 -0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.407 18.826 1.005 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.454 18.007 3.262 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.949 21.490 1.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.911 18.472 4.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.533 21.283 2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.017 19.782 4.842 1.00 0.00 H new ATOM 996 N ASP A 62 1.519 18.823 -2.563 1.00 0.00 N ATOM 997 CA ASP A 62 2.922 18.323 -2.557 1.00 0.00 C ATOM 998 C ASP A 62 3.875 19.454 -2.147 1.00 0.00 C ATOM 999 O ASP A 62 3.723 20.058 -1.104 1.00 0.00 O ATOM 1000 CB ASP A 62 3.286 17.821 -3.957 1.00 0.00 C ATOM 1001 CG ASP A 62 3.110 18.954 -4.969 1.00 0.00 C ATOM 1002 OD1 ASP A 62 2.303 19.832 -4.709 1.00 0.00 O ATOM 1003 OD2 ASP A 62 3.784 18.925 -5.984 1.00 0.00 O ATOM 0 H ASP A 62 1.052 18.788 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 62 3.013 17.505 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.316 17.464 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.653 16.976 -4.228 1.00 0.00 H new ATOM 1008 N ASN A 63 4.862 19.742 -2.951 1.00 0.00 N ATOM 1009 CA ASN A 63 5.822 20.827 -2.599 1.00 0.00 C ATOM 1010 C ASN A 63 6.372 20.581 -1.191 1.00 0.00 C ATOM 1011 O ASN A 63 6.932 21.461 -0.568 1.00 0.00 O ATOM 1012 CB ASN A 63 5.104 22.178 -2.638 1.00 0.00 C ATOM 1013 CG ASN A 63 4.371 22.329 -3.973 1.00 0.00 C ATOM 1014 OD1 ASN A 63 4.973 22.227 -5.024 1.00 0.00 O ATOM 1015 ND2 ASN A 63 3.090 22.572 -3.976 1.00 0.00 N ATOM 0 H ASN A 63 5.045 19.272 -3.838 1.00 0.00 H new ATOM 0 HA ASN A 63 6.643 20.833 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.396 22.249 -1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.823 22.988 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.593 22.677 -4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.585 22.658 -3.094 1.00 0.00 H new ATOM 1022 N GLU A 64 6.212 19.388 -0.685 1.00 0.00 N ATOM 1023 CA GLU A 64 6.720 19.079 0.681 1.00 0.00 C ATOM 1024 C GLU A 64 8.257 19.051 0.653 1.00 0.00 C ATOM 1025 O GLU A 64 8.847 18.730 -0.360 1.00 0.00 O ATOM 1026 CB GLU A 64 6.188 17.708 1.113 1.00 0.00 C ATOM 1027 CG GLU A 64 4.693 17.811 1.426 1.00 0.00 C ATOM 1028 CD GLU A 64 4.112 16.409 1.626 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.749 15.459 1.201 1.00 0.00 O ATOM 1030 OE2 GLU A 64 3.039 16.309 2.199 1.00 0.00 O ATOM 0 H GLU A 64 5.750 18.613 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 64 6.384 19.840 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.354 16.977 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.730 17.357 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.540 18.411 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.175 18.318 0.612 1.00 0.00 H new ATOM 1037 N PRO A 65 8.911 19.377 1.747 1.00 0.00 N ATOM 1038 CA PRO A 65 10.406 19.373 1.811 1.00 0.00 C ATOM 1039 C PRO A 65 10.973 17.945 1.830 1.00 0.00 C ATOM 1040 O PRO A 65 10.387 17.043 2.395 1.00 0.00 O ATOM 1041 CB PRO A 65 10.708 20.110 3.126 1.00 0.00 C ATOM 1042 CG PRO A 65 9.521 19.821 3.990 1.00 0.00 C ATOM 1043 CD PRO A 65 8.319 19.783 3.038 1.00 0.00 C ATOM 0 HA PRO A 65 10.863 19.845 0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.630 19.749 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.831 21.181 2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.638 18.871 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.394 20.590 4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.564 19.072 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.832 20.756 2.968 1.00 0.00 H new ATOM 1051 N ALA A 66 12.106 17.739 1.217 1.00 0.00 N ATOM 1052 CA ALA A 66 12.707 16.375 1.200 1.00 0.00 C ATOM 1053 C ALA A 66 13.282 16.051 2.581 1.00 0.00 C ATOM 1054 O ALA A 66 13.955 15.057 2.766 1.00 0.00 O ATOM 1055 CB ALA A 66 13.826 16.325 0.158 1.00 0.00 C ATOM 0 H ALA A 66 12.642 18.456 0.727 1.00 0.00 H new ATOM 0 HA ALA A 66 11.939 15.644 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.266 15.328 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.417 16.554 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.593 17.057 0.412 1.00 0.00 H new ATOM 1061 N THR A 67 13.024 16.883 3.552 1.00 0.00 N ATOM 1062 CA THR A 67 13.558 16.621 4.918 1.00 0.00 C ATOM 1063 C THR A 67 13.066 15.258 5.409 1.00 0.00 C ATOM 1064 O THR A 67 11.941 14.868 5.165 1.00 0.00 O ATOM 1065 CB THR A 67 13.071 17.713 5.875 1.00 0.00 C ATOM 1066 OG1 THR A 67 13.498 18.982 5.398 1.00 0.00 O ATOM 1067 CG2 THR A 67 13.649 17.468 7.269 1.00 0.00 C ATOM 0 H THR A 67 12.467 17.732 3.459 1.00 0.00 H new ATOM 0 HA THR A 67 14.648 16.623 4.886 1.00 0.00 H new ATOM 0 HB THR A 67 11.983 17.692 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.186 19.683 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.302 18.246 7.949 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.320 16.495 7.633 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.738 17.489 7.220 1.00 0.00 H new ATOM 1075 N ASN A 68 13.901 14.530 6.099 1.00 0.00 N ATOM 1076 CA ASN A 68 13.483 13.193 6.606 1.00 0.00 C ATOM 1077 C ASN A 68 12.367 13.365 7.638 1.00 0.00 C ATOM 1078 O ASN A 68 12.557 13.967 8.676 1.00 0.00 O ATOM 1079 CB ASN A 68 14.681 12.501 7.261 1.00 0.00 C ATOM 1080 CG ASN A 68 15.297 13.433 8.307 1.00 0.00 C ATOM 1081 OD1 ASN A 68 16.193 14.197 8.005 1.00 0.00 O ATOM 1082 ND2 ASN A 68 14.851 13.403 9.533 1.00 0.00 N ATOM 0 H ASN A 68 14.855 14.804 6.333 1.00 0.00 H new ATOM 0 HA ASN A 68 13.120 12.586 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.365 11.569 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.423 12.243 6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.254 14.021 10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.099 12.762 9.787 1.00 0.00 H new ATOM 1089 N THR A 69 11.204 12.836 7.365 1.00 0.00 N ATOM 1090 CA THR A 69 10.077 12.969 8.331 1.00 0.00 C ATOM 1091 C THR A 69 8.968 11.985 7.954 1.00 0.00 C ATOM 1092 O THR A 69 8.790 10.962 8.586 1.00 0.00 O ATOM 1093 CB THR A 69 9.530 14.402 8.292 1.00 0.00 C ATOM 1094 OG1 THR A 69 10.610 15.321 8.369 1.00 0.00 O ATOM 1095 CG2 THR A 69 8.585 14.626 9.475 1.00 0.00 C ATOM 0 H THR A 69 10.987 12.317 6.514 1.00 0.00 H new ATOM 0 HA THR A 69 10.433 12.749 9.337 1.00 0.00 H new ATOM 0 HB THR A 69 8.984 14.555 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.294 14.972 8.978 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.198 15.645 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.756 13.921 9.417 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.127 14.472 10.408 1.00 0.00 H new ATOM 1103 N LEU A 70 8.220 12.286 6.931 1.00 0.00 N ATOM 1104 CA LEU A 70 7.123 11.369 6.514 1.00 0.00 C ATOM 1105 C LEU A 70 7.725 10.100 5.904 1.00 0.00 C ATOM 1106 O LEU A 70 7.184 9.020 6.036 1.00 0.00 O ATOM 1107 CB LEU A 70 6.229 12.070 5.480 1.00 0.00 C ATOM 1108 CG LEU A 70 5.968 13.519 5.908 1.00 0.00 C ATOM 1109 CD1 LEU A 70 5.007 14.173 4.912 1.00 0.00 C ATOM 1110 CD2 LEU A 70 5.347 13.545 7.312 1.00 0.00 C ATOM 0 H LEU A 70 8.320 13.128 6.364 1.00 0.00 H new ATOM 0 HA LEU A 70 6.522 11.102 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.708 12.052 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.284 11.535 5.382 1.00 0.00 H new ATOM 0 HG LEU A 70 6.910 14.067 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.818 15.204 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.451 14.160 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.067 13.621 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.164 14.577 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.405 12.998 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.031 13.078 8.021 1.00 0.00 H new ATOM 1122 N GLU A 71 8.842 10.218 5.236 1.00 0.00 N ATOM 1123 CA GLU A 71 9.473 9.016 4.622 1.00 0.00 C ATOM 1124 C GLU A 71 9.808 8.007 5.714 1.00 0.00 C ATOM 1125 O GLU A 71 9.708 6.811 5.520 1.00 0.00 O ATOM 1126 CB GLU A 71 10.753 9.427 3.893 1.00 0.00 C ATOM 1127 CG GLU A 71 11.364 8.207 3.202 1.00 0.00 C ATOM 1128 CD GLU A 71 12.516 8.654 2.300 1.00 0.00 C ATOM 1129 OE1 GLU A 71 13.022 9.743 2.514 1.00 0.00 O ATOM 1130 OE2 GLU A 71 12.873 7.899 1.409 1.00 0.00 O ATOM 0 H GLU A 71 9.343 11.094 5.090 1.00 0.00 H new ATOM 0 HA GLU A 71 8.782 8.565 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.532 10.201 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.466 9.852 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.725 7.497 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.605 7.692 2.613 1.00 0.00 H new ATOM 1137 N VAL A 72 10.198 8.473 6.867 1.00 0.00 N ATOM 1138 CA VAL A 72 10.526 7.532 7.969 1.00 0.00 C ATOM 1139 C VAL A 72 9.234 6.954 8.521 1.00 0.00 C ATOM 1140 O VAL A 72 9.144 5.781 8.823 1.00 0.00 O ATOM 1141 CB VAL A 72 11.271 8.271 9.075 1.00 0.00 C ATOM 1142 CG1 VAL A 72 11.741 7.272 10.134 1.00 0.00 C ATOM 1143 CG2 VAL A 72 12.482 8.995 8.482 1.00 0.00 C ATOM 0 H VAL A 72 10.303 9.462 7.092 1.00 0.00 H new ATOM 0 HA VAL A 72 11.160 6.730 7.591 1.00 0.00 H new ATOM 0 HB VAL A 72 10.603 8.999 9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.273 7.802 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.878 6.759 10.559 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.407 6.541 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.014 9.523 9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 72 13.149 8.268 8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.147 9.710 7.731 1.00 0.00 H new ATOM 1153 N HIS A 73 8.215 7.758 8.623 1.00 0.00 N ATOM 1154 CA HIS A 73 6.919 7.232 9.119 1.00 0.00 C ATOM 1155 C HIS A 73 6.502 6.109 8.174 1.00 0.00 C ATOM 1156 O HIS A 73 6.002 5.081 8.584 1.00 0.00 O ATOM 1157 CB HIS A 73 5.866 8.341 9.107 1.00 0.00 C ATOM 1158 CG HIS A 73 6.269 9.425 10.068 1.00 0.00 C ATOM 1159 ND1 HIS A 73 5.497 10.560 10.271 1.00 0.00 N ATOM 1160 CD2 HIS A 73 7.360 9.561 10.892 1.00 0.00 C ATOM 1161 CE1 HIS A 73 6.128 11.323 11.183 1.00 0.00 C ATOM 1162 NE2 HIS A 73 7.266 10.758 11.591 1.00 0.00 N ATOM 0 H HIS A 73 8.224 8.750 8.386 1.00 0.00 H new ATOM 0 HA HIS A 73 7.013 6.867 10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.765 8.750 8.102 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.893 7.936 9.386 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.166 8.848 10.982 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.759 12.273 11.540 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.928 11.128 12.273 1.00 0.00 H new ATOM 1171 N ILE A 74 6.713 6.311 6.902 1.00 0.00 N ATOM 1172 CA ILE A 74 6.337 5.265 5.918 1.00 0.00 C ATOM 1173 C ILE A 74 7.167 4.018 6.196 1.00 0.00 C ATOM 1174 O ILE A 74 6.720 2.907 5.992 1.00 0.00 O ATOM 1175 CB ILE A 74 6.568 5.776 4.486 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.479 6.806 4.155 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.487 4.605 3.488 1.00 0.00 C ATOM 1178 CD1 ILE A 74 5.797 7.491 2.833 1.00 0.00 C ATOM 0 H ILE A 74 7.129 7.154 6.505 1.00 0.00 H new ATOM 0 HA ILE A 74 5.279 5.021 6.014 1.00 0.00 H new ATOM 0 HB ILE A 74 7.555 6.232 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.508 6.315 4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.413 7.547 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.652 4.977 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.250 3.866 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.502 4.143 3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.020 8.220 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.759 7.997 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.840 6.746 2.038 1.00 0.00 H new ATOM 1190 N HIS A 75 8.364 4.182 6.678 1.00 0.00 N ATOM 1191 CA HIS A 75 9.187 2.983 6.983 1.00 0.00 C ATOM 1192 C HIS A 75 8.608 2.315 8.225 1.00 0.00 C ATOM 1193 O HIS A 75 8.804 1.140 8.468 1.00 0.00 O ATOM 1194 CB HIS A 75 10.638 3.398 7.243 1.00 0.00 C ATOM 1195 CG HIS A 75 11.213 4.013 5.997 1.00 0.00 C ATOM 1196 ND1 HIS A 75 10.738 3.702 4.731 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.224 4.923 5.805 1.00 0.00 C ATOM 1198 CE1 HIS A 75 11.457 4.412 3.841 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.373 5.169 4.445 1.00 0.00 N ATOM 0 H HIS A 75 8.804 5.082 6.872 1.00 0.00 H new ATOM 0 HA HIS A 75 9.172 2.291 6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.682 4.110 8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.228 2.531 7.539 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.812 5.377 6.589 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.310 4.373 2.772 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.043 5.797 4.002 1.00 0.00 H new ATOM 1208 N ASN A 76 7.888 3.066 9.014 1.00 0.00 N ATOM 1209 CA ASN A 76 7.281 2.498 10.247 1.00 0.00 C ATOM 1210 C ASN A 76 6.040 1.675 9.898 1.00 0.00 C ATOM 1211 O ASN A 76 5.856 0.583 10.397 1.00 0.00 O ATOM 1212 CB ASN A 76 6.888 3.637 11.191 1.00 0.00 C ATOM 1213 CG ASN A 76 6.512 3.064 12.558 1.00 0.00 C ATOM 1214 OD1 ASN A 76 6.577 1.869 12.768 1.00 0.00 O ATOM 1215 ND2 ASN A 76 6.118 3.871 13.505 1.00 0.00 N ATOM 0 H ASN A 76 7.694 4.055 8.854 1.00 0.00 H new ATOM 0 HA ASN A 76 8.009 1.849 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.716 4.339 11.295 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.048 4.194 10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.865 3.498 14.420 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.063 4.874 13.330 1.00 0.00 H new ATOM 1222 N LEU A 77 5.177 2.180 9.051 1.00 0.00 N ATOM 1223 CA LEU A 77 3.953 1.391 8.701 1.00 0.00 C ATOM 1224 C LEU A 77 4.327 0.249 7.767 1.00 0.00 C ATOM 1225 O LEU A 77 3.878 -0.869 7.919 1.00 0.00 O ATOM 1226 CB LEU A 77 2.883 2.288 8.050 1.00 0.00 C ATOM 1227 CG LEU A 77 3.370 2.904 6.705 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.865 2.080 5.503 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.821 4.338 6.569 1.00 0.00 C ATOM 0 H LEU A 77 5.263 3.088 8.593 1.00 0.00 H new ATOM 0 HA LEU A 77 3.532 0.981 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.980 1.704 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.615 3.089 8.739 1.00 0.00 H new ATOM 0 HG LEU A 77 4.460 2.903 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.220 2.532 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.243 1.060 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.775 2.064 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.161 4.770 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.731 4.313 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.182 4.946 7.399 1.00 0.00 H new ATOM 1241 N ARG A 78 5.143 0.528 6.794 1.00 0.00 N ATOM 1242 CA ARG A 78 5.554 -0.530 5.829 1.00 0.00 C ATOM 1243 C ARG A 78 6.047 -1.771 6.584 1.00 0.00 C ATOM 1244 O ARG A 78 5.685 -2.886 6.266 1.00 0.00 O ATOM 1245 CB ARG A 78 6.679 0.011 4.938 1.00 0.00 C ATOM 1246 CG ARG A 78 6.878 -0.917 3.737 1.00 0.00 C ATOM 1247 CD ARG A 78 8.118 -0.484 2.954 1.00 0.00 C ATOM 1248 NE ARG A 78 9.307 -0.498 3.852 1.00 0.00 N ATOM 1249 CZ ARG A 78 10.488 -0.200 3.379 1.00 0.00 C ATOM 1250 NH1 ARG A 78 10.628 0.113 2.120 1.00 0.00 N ATOM 1251 NH2 ARG A 78 11.527 -0.215 4.167 1.00 0.00 N ATOM 0 H ARG A 78 5.547 1.449 6.623 1.00 0.00 H new ATOM 0 HA ARG A 78 4.698 -0.809 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.433 1.016 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.604 0.086 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.990 -1.947 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.000 -0.887 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.280 -1.154 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.971 0.515 2.544 1.00 0.00 H new ATOM 0 HE ARG A 78 9.199 -0.740 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.815 0.125 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.550 0.345 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.417 -0.459 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.450 0.017 3.799 1.00 0.00 H new ATOM 1265 N GLU A 79 6.876 -1.587 7.575 1.00 0.00 N ATOM 1266 CA GLU A 79 7.397 -2.759 8.339 1.00 0.00 C ATOM 1267 C GLU A 79 6.254 -3.447 9.093 1.00 0.00 C ATOM 1268 O GLU A 79 6.399 -4.551 9.580 1.00 0.00 O ATOM 1269 CB GLU A 79 8.451 -2.283 9.342 1.00 0.00 C ATOM 1270 CG GLU A 79 9.684 -1.775 8.591 1.00 0.00 C ATOM 1271 CD GLU A 79 10.421 -2.955 7.954 1.00 0.00 C ATOM 1272 OE1 GLU A 79 10.742 -3.885 8.674 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.649 -2.907 6.757 1.00 0.00 O ATOM 0 H GLU A 79 7.215 -0.678 7.889 1.00 0.00 H new ATOM 0 HA GLU A 79 7.843 -3.469 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.041 -1.489 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.729 -3.100 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.386 -1.062 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.347 -1.246 9.276 1.00 0.00 H new ATOM 1280 N LYS A 80 5.121 -2.805 9.202 1.00 0.00 N ATOM 1281 CA LYS A 80 3.975 -3.418 9.933 1.00 0.00 C ATOM 1282 C LYS A 80 3.236 -4.404 9.019 1.00 0.00 C ATOM 1283 O LYS A 80 2.815 -5.463 9.442 1.00 0.00 O ATOM 1284 CB LYS A 80 3.009 -2.309 10.381 1.00 0.00 C ATOM 1285 CG LYS A 80 2.008 -2.854 11.428 1.00 0.00 C ATOM 1286 CD LYS A 80 2.613 -2.790 12.840 1.00 0.00 C ATOM 1287 CE LYS A 80 1.561 -3.219 13.864 1.00 0.00 C ATOM 1288 NZ LYS A 80 0.440 -2.236 13.867 1.00 0.00 N ATOM 0 H LYS A 80 4.940 -1.879 8.814 1.00 0.00 H new ATOM 0 HA LYS A 80 4.349 -3.955 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.572 -1.478 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.467 -1.920 9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.086 -2.273 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.745 -3.884 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.485 -3.441 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.955 -1.778 13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.186 -4.213 13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.008 -3.280 14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.217 -1.967 14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.719 -1.390 13.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.399 -2.664 13.426 1.00 0.00 H new ATOM 1302 N ILE A 81 3.068 -4.059 7.771 1.00 0.00 N ATOM 1303 CA ILE A 81 2.351 -4.962 6.824 1.00 0.00 C ATOM 1304 C ILE A 81 3.286 -6.083 6.370 1.00 0.00 C ATOM 1305 O ILE A 81 2.857 -7.068 5.803 1.00 0.00 O ATOM 1306 CB ILE A 81 1.898 -4.159 5.595 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.044 -3.265 5.116 1.00 0.00 C ATOM 1308 CG2 ILE A 81 0.696 -3.281 5.955 1.00 0.00 C ATOM 1309 CD1 ILE A 81 2.666 -2.611 3.784 1.00 0.00 C ATOM 0 H ILE A 81 3.399 -3.184 7.364 1.00 0.00 H new ATOM 0 HA ILE A 81 1.484 -5.391 7.327 1.00 0.00 H new ATOM 0 HB ILE A 81 1.615 -4.854 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.256 -2.498 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.953 -3.855 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.382 -2.716 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.126 -3.911 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.975 -2.590 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.484 -1.975 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.476 -3.384 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.768 -2.007 3.917 1.00 0.00 H new ATOM 1321 N GLY A 82 4.560 -5.935 6.595 1.00 0.00 N ATOM 1322 CA GLY A 82 5.524 -6.986 6.156 1.00 0.00 C ATOM 1323 C GLY A 82 5.907 -6.726 4.700 1.00 0.00 C ATOM 1324 O GLY A 82 5.374 -7.322 3.787 1.00 0.00 O ATOM 0 H GLY A 82 4.978 -5.132 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.412 -6.971 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.077 -7.975 6.258 1.00 0.00 H new ATOM 1328 N LYS A 83 6.826 -5.829 4.489 1.00 0.00 N ATOM 1329 CA LYS A 83 7.273 -5.489 3.102 1.00 0.00 C ATOM 1330 C LYS A 83 7.480 -6.763 2.275 1.00 0.00 C ATOM 1331 O LYS A 83 7.558 -6.718 1.065 1.00 0.00 O ATOM 1332 CB LYS A 83 8.594 -4.720 3.171 1.00 0.00 C ATOM 1333 CG LYS A 83 9.609 -5.513 3.997 1.00 0.00 C ATOM 1334 CD LYS A 83 10.930 -4.745 4.054 1.00 0.00 C ATOM 1335 CE LYS A 83 11.963 -5.562 4.831 1.00 0.00 C ATOM 1336 NZ LYS A 83 13.307 -4.932 4.688 1.00 0.00 N ATOM 0 H LYS A 83 7.297 -5.306 5.227 1.00 0.00 H new ATOM 0 HA LYS A 83 6.505 -4.879 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.981 -4.551 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.432 -3.740 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.227 -5.675 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.766 -6.496 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.292 -4.547 3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.780 -3.778 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.684 -5.614 5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.988 -6.586 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.009 -5.488 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.572 -4.905 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.278 -3.963 5.065 1.00 0.00 H new ATOM 1350 N SER A 84 7.576 -7.896 2.916 1.00 0.00 N ATOM 1351 CA SER A 84 7.783 -9.166 2.163 1.00 0.00 C ATOM 1352 C SER A 84 6.753 -9.268 1.034 1.00 0.00 C ATOM 1353 O SER A 84 7.073 -9.633 -0.080 1.00 0.00 O ATOM 1354 CB SER A 84 7.614 -10.353 3.112 1.00 0.00 C ATOM 1355 OG SER A 84 7.830 -11.561 2.396 1.00 0.00 O ATOM 0 H SER A 84 7.520 -7.997 3.929 1.00 0.00 H new ATOM 0 HA SER A 84 8.787 -9.176 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.320 -10.276 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.614 -10.347 3.545 1.00 0.00 H new ATOM 0 HG SER A 84 7.724 -12.324 3.002 1.00 0.00 H new ATOM 1361 N ARG A 85 5.517 -8.951 1.314 1.00 0.00 N ATOM 1362 CA ARG A 85 4.466 -9.035 0.255 1.00 0.00 C ATOM 1363 C ARG A 85 4.572 -7.827 -0.684 1.00 0.00 C ATOM 1364 O ARG A 85 3.713 -7.607 -1.515 1.00 0.00 O ATOM 1365 CB ARG A 85 3.074 -9.056 0.905 1.00 0.00 C ATOM 1366 CG ARG A 85 2.987 -7.981 2.009 1.00 0.00 C ATOM 1367 CD ARG A 85 1.520 -7.621 2.280 1.00 0.00 C ATOM 1368 NE ARG A 85 1.013 -6.749 1.183 1.00 0.00 N ATOM 1369 CZ ARG A 85 -0.259 -6.467 1.108 1.00 0.00 C ATOM 1370 NH1 ARG A 85 -1.090 -6.951 1.991 1.00 0.00 N ATOM 1371 NH2 ARG A 85 -0.701 -5.702 0.147 1.00 0.00 N ATOM 0 H ARG A 85 5.189 -8.638 2.228 1.00 0.00 H new ATOM 0 HA ARG A 85 4.613 -9.951 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.309 -8.875 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.877 -10.041 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.454 -8.348 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.538 -7.091 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.918 -8.527 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.431 -7.108 3.238 1.00 0.00 H new ATOM 0 HE ARG A 85 1.660 -6.372 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.745 -7.550 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.084 -6.730 1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.052 -5.325 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.695 -5.481 0.087 1.00 0.00 H new ATOM 1385 N ILE A 86 5.614 -7.040 -0.559 1.00 0.00 N ATOM 1386 CA ILE A 86 5.783 -5.836 -1.443 1.00 0.00 C ATOM 1387 C ILE A 86 7.250 -5.738 -1.883 1.00 0.00 C ATOM 1388 O ILE A 86 8.138 -6.273 -1.250 1.00 0.00 O ATOM 1389 CB ILE A 86 5.389 -4.565 -0.666 1.00 0.00 C ATOM 1390 CG1 ILE A 86 3.870 -4.551 -0.442 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.793 -3.311 -1.461 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.508 -3.460 0.569 1.00 0.00 C ATOM 0 H ILE A 86 6.361 -7.179 0.121 1.00 0.00 H new ATOM 0 HA ILE A 86 5.143 -5.932 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 86 5.906 -4.564 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.355 -4.371 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.537 -5.523 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.510 -2.419 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.871 -3.313 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.285 -3.312 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.429 -3.453 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.011 -3.660 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.826 -2.490 0.187 1.00 0.00 H new ATOM 1404 N ARG A 87 7.500 -5.050 -2.969 1.00 0.00 N ATOM 1405 CA ARG A 87 8.901 -4.892 -3.478 1.00 0.00 C ATOM 1406 C ARG A 87 9.087 -3.467 -4.008 1.00 0.00 C ATOM 1407 O ARG A 87 8.375 -3.024 -4.886 1.00 0.00 O ATOM 1408 CB ARG A 87 9.148 -5.892 -4.611 1.00 0.00 C ATOM 1409 CG ARG A 87 10.636 -5.905 -4.969 1.00 0.00 C ATOM 1410 CD ARG A 87 10.864 -6.811 -6.180 1.00 0.00 C ATOM 1411 NE ARG A 87 12.318 -6.853 -6.500 1.00 0.00 N ATOM 1412 CZ ARG A 87 12.898 -5.816 -7.040 1.00 0.00 C ATOM 1413 NH1 ARG A 87 12.206 -4.741 -7.297 1.00 0.00 N ATOM 1414 NH2 ARG A 87 14.173 -5.854 -7.322 1.00 0.00 N ATOM 0 H ARG A 87 6.787 -4.586 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 87 9.608 -5.078 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.828 -6.888 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.556 -5.620 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.976 -4.893 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.221 -6.260 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.497 -7.816 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.302 -6.439 -7.037 1.00 0.00 H new ATOM 0 HE ARG A 87 12.861 -7.692 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.211 -4.710 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.660 -3.931 -7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.715 -6.694 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.626 -5.044 -7.744 1.00 0.00 H new ATOM 1428 N THR A 88 10.043 -2.746 -3.479 1.00 0.00 N ATOM 1429 CA THR A 88 10.285 -1.345 -3.949 1.00 0.00 C ATOM 1430 C THR A 88 11.277 -1.367 -5.113 1.00 0.00 C ATOM 1431 O THR A 88 12.204 -2.153 -5.130 1.00 0.00 O ATOM 1432 CB THR A 88 10.868 -0.512 -2.800 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.273 -0.716 -2.738 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.232 -0.943 -1.476 1.00 0.00 C ATOM 0 H THR A 88 10.669 -3.067 -2.740 1.00 0.00 H new ATOM 0 HA THR A 88 9.344 -0.903 -4.277 1.00 0.00 H new ATOM 0 HB THR A 88 10.657 0.543 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.649 -0.184 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.648 -0.349 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.154 -0.789 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.440 -1.998 -1.299 1.00 0.00 H new ATOM 1442 N VAL A 89 11.083 -0.517 -6.094 1.00 0.00 N ATOM 1443 CA VAL A 89 12.004 -0.485 -7.278 1.00 0.00 C ATOM 1444 C VAL A 89 12.985 0.686 -7.153 1.00 0.00 C ATOM 1445 O VAL A 89 12.597 1.828 -7.009 1.00 0.00 O ATOM 1446 CB VAL A 89 11.171 -0.328 -8.559 1.00 0.00 C ATOM 1447 CG1 VAL A 89 10.353 0.972 -8.509 1.00 0.00 C ATOM 1448 CG2 VAL A 89 12.108 -0.302 -9.772 1.00 0.00 C ATOM 0 H VAL A 89 10.321 0.161 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 89 12.572 -1.415 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 89 10.484 -1.170 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.768 1.069 -9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.682 0.947 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.028 1.823 -8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.520 -0.191 -10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.798 0.537 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.672 -1.233 -9.816 1.00 0.00 H new ATOM 1458 N ARG A 90 14.261 0.399 -7.211 1.00 0.00 N ATOM 1459 CA ARG A 90 15.297 1.473 -7.107 1.00 0.00 C ATOM 1460 C ARG A 90 14.949 2.437 -5.962 1.00 0.00 C ATOM 1461 O ARG A 90 15.290 3.603 -5.993 1.00 0.00 O ATOM 1462 CB ARG A 90 15.359 2.237 -8.444 1.00 0.00 C ATOM 1463 CG ARG A 90 16.694 2.984 -8.576 1.00 0.00 C ATOM 1464 CD ARG A 90 16.806 3.576 -9.984 1.00 0.00 C ATOM 1465 NE ARG A 90 15.502 4.181 -10.376 1.00 0.00 N ATOM 1466 CZ ARG A 90 15.093 5.281 -9.804 1.00 0.00 C ATOM 1467 NH1 ARG A 90 15.824 5.851 -8.886 1.00 0.00 N ATOM 1468 NH2 ARG A 90 13.952 5.810 -10.151 1.00 0.00 N ATOM 0 H ARG A 90 14.633 -0.543 -7.327 1.00 0.00 H new ATOM 0 HA ARG A 90 16.268 1.025 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.242 1.540 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.532 2.945 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.756 3.776 -7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.525 2.304 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.592 4.331 -10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 90 17.086 2.799 -10.695 1.00 0.00 H new ATOM 0 HE ARG A 90 14.928 3.735 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.716 5.437 -8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.504 6.710 -8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.380 5.364 -10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.632 6.669 -9.705 1.00 0.00 H new ATOM 1482 N GLY A 91 14.272 1.963 -4.950 1.00 0.00 N ATOM 1483 CA GLY A 91 13.907 2.857 -3.810 1.00 0.00 C ATOM 1484 C GLY A 91 13.273 4.143 -4.350 1.00 0.00 C ATOM 1485 O GLY A 91 13.725 5.235 -4.069 1.00 0.00 O ATOM 0 H GLY A 91 13.956 0.997 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.211 2.348 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.794 3.095 -3.223 1.00 0.00 H new ATOM 1489 N PHE A 92 12.230 4.014 -5.132 1.00 0.00 N ATOM 1490 CA PHE A 92 11.547 5.205 -5.716 1.00 0.00 C ATOM 1491 C PHE A 92 10.030 4.990 -5.645 1.00 0.00 C ATOM 1492 O PHE A 92 9.336 5.661 -4.908 1.00 0.00 O ATOM 1493 CB PHE A 92 12.007 5.374 -7.180 1.00 0.00 C ATOM 1494 CG PHE A 92 11.024 6.223 -7.964 1.00 0.00 C ATOM 1495 CD1 PHE A 92 11.107 7.620 -7.916 1.00 0.00 C ATOM 1496 CD2 PHE A 92 10.026 5.608 -8.730 1.00 0.00 C ATOM 1497 CE1 PHE A 92 10.193 8.400 -8.637 1.00 0.00 C ATOM 1498 CE2 PHE A 92 9.114 6.387 -9.451 1.00 0.00 C ATOM 1499 CZ PHE A 92 9.197 7.782 -9.403 1.00 0.00 C ATOM 0 H PHE A 92 11.818 3.118 -5.393 1.00 0.00 H new ATOM 0 HA PHE A 92 11.801 6.108 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.993 5.838 -7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.103 4.395 -7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.875 8.096 -7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.960 4.531 -8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.257 9.478 -8.602 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.347 5.911 -10.044 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.492 8.384 -9.957 1.00 0.00 H new ATOM 1509 N GLY A 93 9.514 4.061 -6.412 1.00 0.00 N ATOM 1510 CA GLY A 93 8.040 3.794 -6.405 1.00 0.00 C ATOM 1511 C GLY A 93 7.749 2.541 -5.582 1.00 0.00 C ATOM 1512 O GLY A 93 8.432 2.237 -4.624 1.00 0.00 O ATOM 0 H GLY A 93 10.053 3.472 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.508 4.648 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.679 3.663 -7.425 1.00 0.00 H new ATOM 1516 N TYR A 94 6.735 1.808 -5.956 1.00 0.00 N ATOM 1517 CA TYR A 94 6.377 0.562 -5.215 1.00 0.00 C ATOM 1518 C TYR A 94 5.726 -0.409 -6.198 1.00 0.00 C ATOM 1519 O TYR A 94 5.239 -0.017 -7.238 1.00 0.00 O ATOM 1520 CB TYR A 94 5.392 0.905 -4.083 1.00 0.00 C ATOM 1521 CG TYR A 94 6.154 1.362 -2.858 1.00 0.00 C ATOM 1522 CD1 TYR A 94 6.611 0.416 -1.934 1.00 0.00 C ATOM 1523 CD2 TYR A 94 6.404 2.722 -2.650 1.00 0.00 C ATOM 1524 CE1 TYR A 94 7.318 0.829 -0.802 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.112 3.136 -1.517 1.00 0.00 C ATOM 1526 CZ TYR A 94 7.569 2.190 -0.591 1.00 0.00 C ATOM 1527 OH TYR A 94 8.267 2.600 0.527 1.00 0.00 O ATOM 0 H TYR A 94 6.133 2.021 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 94 7.267 0.108 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.708 1.688 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.785 0.033 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.417 -0.634 -2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.051 3.452 -3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.671 0.098 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 94 7.306 4.186 -1.356 1.00 0.00 H new ATOM 0 HH TYR A 94 8.354 3.576 0.519 1.00 0.00 H new ATOM 1537 N MET A 95 5.714 -1.673 -5.883 1.00 0.00 N ATOM 1538 CA MET A 95 5.094 -2.658 -6.818 1.00 0.00 C ATOM 1539 C MET A 95 4.830 -3.980 -6.100 1.00 0.00 C ATOM 1540 O MET A 95 5.709 -4.560 -5.494 1.00 0.00 O ATOM 1541 CB MET A 95 6.042 -2.903 -7.992 1.00 0.00 C ATOM 1542 CG MET A 95 5.325 -3.723 -9.067 1.00 0.00 C ATOM 1543 SD MET A 95 6.441 -3.993 -10.467 1.00 0.00 S ATOM 1544 CE MET A 95 7.210 -5.519 -9.870 1.00 0.00 C ATOM 0 H MET A 95 6.103 -2.067 -5.026 1.00 0.00 H new ATOM 0 HA MET A 95 4.147 -2.256 -7.179 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.376 -1.952 -8.408 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.932 -3.432 -7.650 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.003 -4.680 -8.655 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.428 -3.201 -9.399 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.945 -5.864 -10.597 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.704 -5.329 -8.917 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.445 -6.284 -9.736 1.00 0.00 H new ATOM 1554 N LEU A 96 3.619 -4.466 -6.179 1.00 0.00 N ATOM 1555 CA LEU A 96 3.274 -5.763 -5.521 1.00 0.00 C ATOM 1556 C LEU A 96 3.519 -6.904 -6.515 1.00 0.00 C ATOM 1557 O LEU A 96 3.120 -6.835 -7.662 1.00 0.00 O ATOM 1558 CB LEU A 96 1.790 -5.740 -5.106 1.00 0.00 C ATOM 1559 CG LEU A 96 1.628 -5.003 -3.771 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.244 -3.605 -3.869 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.138 -4.885 -3.436 1.00 0.00 C ATOM 0 H LEU A 96 2.848 -4.018 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 96 3.892 -5.912 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.196 -5.248 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.414 -6.759 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 96 2.138 -5.562 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.125 -3.087 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.305 -3.690 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.741 -3.040 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.019 -4.362 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.369 -4.328 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.297 -5.881 -3.358 1.00 0.00 H new ATOM 1573 N ALA A 97 4.172 -7.950 -6.088 1.00 0.00 N ATOM 1574 CA ALA A 97 4.440 -9.089 -7.010 1.00 0.00 C ATOM 1575 C ALA A 97 3.120 -9.596 -7.592 1.00 0.00 C ATOM 1576 O ALA A 97 2.133 -9.727 -6.895 1.00 0.00 O ATOM 1577 CB ALA A 97 5.123 -10.219 -6.238 1.00 0.00 C ATOM 0 H ALA A 97 4.531 -8.065 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 97 5.090 -8.756 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.320 -11.053 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.064 -9.859 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.473 -10.552 -5.429 1.00 0.00 H new ATOM 1583 N ASN A 98 3.091 -9.883 -8.866 1.00 0.00 N ATOM 1584 CA ASN A 98 1.834 -10.382 -9.494 1.00 0.00 C ATOM 1585 C ASN A 98 1.291 -11.563 -8.688 1.00 0.00 C ATOM 1586 O ASN A 98 0.329 -11.440 -7.958 1.00 0.00 O ATOM 1587 CB ASN A 98 2.124 -10.833 -10.926 1.00 0.00 C ATOM 1588 CG ASN A 98 2.568 -9.630 -11.761 1.00 0.00 C ATOM 1589 OD1 ASN A 98 3.746 -9.353 -11.866 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.669 -8.899 -12.361 1.00 0.00 N ATOM 0 H ASN A 98 3.885 -9.793 -9.500 1.00 0.00 H new ATOM 0 HA ASN A 98 1.094 -9.582 -9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.902 -11.597 -10.927 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.233 -11.284 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.955 -8.094 -12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.680 -9.132 -12.272 1.00 0.00 H new ATOM 1597 N ASN A 99 1.905 -12.707 -8.816 1.00 0.00 N ATOM 1598 CA ASN A 99 1.433 -13.906 -8.059 1.00 0.00 C ATOM 1599 C ASN A 99 2.573 -14.918 -7.941 1.00 0.00 C ATOM 1600 O ASN A 99 2.378 -16.108 -8.086 1.00 0.00 O ATOM 1601 CB ASN A 99 0.260 -14.549 -8.803 1.00 0.00 C ATOM 1602 CG ASN A 99 -0.957 -13.623 -8.740 1.00 0.00 C ATOM 1603 OD1 ASN A 99 -1.426 -13.147 -9.755 1.00 0.00 O ATOM 1604 ND2 ASN A 99 -1.491 -13.345 -7.582 1.00 0.00 N ATOM 0 H ASN A 99 2.716 -12.866 -9.414 1.00 0.00 H new ATOM 0 HA ASN A 99 1.112 -13.602 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.534 -14.737 -9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.019 -15.514 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.302 -12.728 -7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.098 -13.744 -6.730 1.00 0.00 H new ATOM 1611 N ILE A 100 3.766 -14.453 -7.675 1.00 0.00 N ATOM 1612 CA ILE A 100 4.924 -15.387 -7.543 1.00 0.00 C ATOM 1613 C ILE A 100 4.904 -16.005 -6.143 1.00 0.00 C ATOM 1614 O ILE A 100 5.720 -16.837 -5.799 1.00 0.00 O ATOM 1615 CB ILE A 100 6.237 -14.611 -7.766 1.00 0.00 C ATOM 1616 CG1 ILE A 100 6.046 -13.614 -8.920 1.00 0.00 C ATOM 1617 CG2 ILE A 100 7.373 -15.586 -8.115 1.00 0.00 C ATOM 1618 CD1 ILE A 100 7.375 -12.919 -9.240 1.00 0.00 C ATOM 0 H ILE A 100 3.989 -13.466 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 100 4.855 -16.179 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 100 6.497 -14.075 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.677 -14.135 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.294 -12.872 -8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.296 -15.028 -8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.510 -16.293 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.119 -16.129 -9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.229 -12.215 -10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.727 -12.383 -8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.115 -13.665 -9.530 1.00 0.00 H new ATOM 1630 N ASP A 101 3.965 -15.606 -5.335 1.00 0.00 N ATOM 1631 CA ASP A 101 3.873 -16.163 -3.956 1.00 0.00 C ATOM 1632 C ASP A 101 3.288 -17.576 -4.018 1.00 0.00 C ATOM 1633 O ASP A 101 3.589 -18.420 -3.197 1.00 0.00 O ATOM 1634 CB ASP A 101 2.965 -15.273 -3.106 1.00 0.00 C ATOM 1635 CG ASP A 101 3.053 -15.706 -1.641 1.00 0.00 C ATOM 1636 OD1 ASP A 101 2.644 -16.816 -1.346 1.00 0.00 O ATOM 1637 OD2 ASP A 101 3.528 -14.918 -0.838 1.00 0.00 O ATOM 0 H ASP A 101 3.253 -14.915 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 101 4.867 -16.198 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.263 -14.229 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.935 -15.345 -3.457 1.00 0.00 H new ATOM 1642 N THR A 102 2.455 -17.837 -4.987 1.00 0.00 N ATOM 1643 CA THR A 102 1.849 -19.194 -5.105 1.00 0.00 C ATOM 1644 C THR A 102 2.961 -20.237 -5.235 1.00 0.00 C ATOM 1645 O THR A 102 3.479 -20.473 -6.308 1.00 0.00 O ATOM 1646 CB THR A 102 0.952 -19.245 -6.343 1.00 0.00 C ATOM 1647 OG1 THR A 102 1.720 -18.932 -7.496 1.00 0.00 O ATOM 1648 CG2 THR A 102 -0.185 -18.233 -6.195 1.00 0.00 C ATOM 0 H THR A 102 2.167 -17.170 -5.703 1.00 0.00 H new ATOM 0 HA THR A 102 1.253 -19.407 -4.217 1.00 0.00 H new ATOM 0 HB THR A 102 0.533 -20.246 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.535 -19.476 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.823 -18.271 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.775 -18.475 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.231 -17.231 -6.091 1.00 0.00 H new ATOM 1656 N GLU A 103 3.332 -20.863 -4.151 1.00 0.00 N ATOM 1657 CA GLU A 103 4.410 -21.890 -4.211 1.00 0.00 C ATOM 1658 C GLU A 103 5.651 -21.292 -4.875 1.00 0.00 C ATOM 1659 O GLU A 103 5.717 -21.316 -6.093 1.00 0.00 O ATOM 1660 CB GLU A 103 3.925 -23.094 -5.022 1.00 0.00 C ATOM 1661 CG GLU A 103 2.563 -23.550 -4.497 1.00 0.00 C ATOM 1662 CD GLU A 103 2.098 -24.780 -5.279 1.00 0.00 C ATOM 1663 OE1 GLU A 103 2.951 -25.518 -5.745 1.00 0.00 O ATOM 1664 OE2 GLU A 103 0.898 -24.964 -5.398 1.00 0.00 O ATOM 1665 OXT GLU A 103 6.515 -20.821 -4.155 1.00 0.00 O ATOM 0 H GLU A 103 2.934 -20.707 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 103 4.660 -22.211 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.849 -22.829 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.646 -23.909 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.632 -23.786 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.835 -22.745 -4.598 1.00 0.00 H new TER 1672 GLU A 103