USER MOD reduce.3.24.130724 H: found=0, std=0, add=1368, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1370 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 LYS NZ :NH3+ 143:sc= 0.69! (180deg=-0.00352) USER MOD Set 1.2: A 26 TYR OH : rot 73:sc= 1.38 USER MOD Set 1.3: B 87 ASN : amide:sc= -2.26! X(o=-0.19!,f=-0.13) USER MOD Set 2.1: B 25 LYS NZ :NH3+ -107:sc= 0.437! (180deg=-0.0514) USER MOD Set 2.2: B 26 TYR OH : rot -15:sc= 1.01 USER MOD Set 3.1: A 82 THR OG1 : rot 82:sc= 0.779 USER MOD Set 3.2: B 8 MET CE :methyl -150:sc= -3.47 (180deg=-5.75!) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -2.6 K(o=-2,f=-9.6!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 163:sc= 0.631 (180deg=0.499) USER MOD Set 5.1: A 8 MET CE :methyl -166:sc= -6.18! (180deg=-7.31!) USER MOD Set 5.2: B 82 THR OG1 : rot 66:sc= 0.5 USER MOD Single : A 2 SER OG : rot 119:sc= 0.913 USER MOD Single : A 6 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot 83:sc= 0.608 USER MOD Single : A 13 ASN : amide:sc= 0.507 K(o=0.51,f=-0.38) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 19 SER OG : rot 40:sc= 0.981 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0535 (180deg=-1.16!) USER MOD Single : A 29 SER OG : rot 28:sc= -1.13 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -3.76! (180deg=-5.15!) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.096) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0.777 (180deg=0.561) USER MOD Single : A 38 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -122:sc= 1.27 USER MOD Single : A 48 GLN : amide:sc= 0.00805 K(o=0.008,f=-3.3!) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.135 (180deg=-0.669) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 1.48 (180deg=1.46) USER MOD Single : A 58 MET CE :methyl -156:sc= -0.108 (180deg=-0.829) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= 0.316 (180deg=-2.09!) USER MOD Single : A 64 ASN : amide:sc= -0.936 K(o=-0.94,f=-2.3!) USER MOD Single : A 72 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.41) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 85 MET CE :methyl -150:sc= -1.38 (180deg=-4.21!) USER MOD Single : A 86 ASN : amide:sc= -0.418 K(o=-0.42,f=-4.8!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 2 SER OG : rot 176:sc= 1.05 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 8:sc= 0.128 USER MOD Single : B 13 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.5) USER MOD Single : B 16 HIS : no HD1:sc= 2.32 K(o=2.3,f=-13!) USER MOD Single : B 18 HIS : no HE2:sc= -5.77! C(o=-5.8!,f=-13!) USER MOD Single : B 19 SER OG : rot -23:sc= 1.11 USER MOD Single : B 21 LYS NZ :NH3+ 169:sc= 0.741 (180deg=0.54) USER MOD Single : B 27 LYS NZ :NH3+ -175:sc= 0.205! (180deg=-0.244!) USER MOD Single : B 29 SER OG : rot -72:sc= 0.141 USER MOD Single : B 30 LYS NZ :NH3+ -122:sc= -3.66! (180deg=-13.1!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -141:sc= -1.75! (180deg=-6.66!) USER MOD Single : B 38 GLN : amide:sc=-0.00207 X(o=-0.0021,f=-0.044) USER MOD Single : B 39 THR OG1 : rot 102:sc= 0.957 USER MOD Single : B 42 SER OG : rot 105:sc= 0.927 USER MOD Single : B 48 GLN : amide:sc= -4.12! C(o=-4.1!,f=-5.5!) USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= -0.906! (180deg=-1.42!) USER MOD Single : B 56 LYS NZ :NH3+ 177:sc= -0.115 (180deg=-0.369) USER MOD Single : B 58 MET CE :methyl -113:sc= -0.939 (180deg=-4.62!) USER MOD Single : B 59 LYS NZ :NH3+ -106:sc= 0.937 (180deg=-2.01!) USER MOD Single : B 64 ASN : amide:sc= -0.0346 K(o=-0.035,f=-0.86) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 74 TYR OH : rot 94:sc= -3.46! USER MOD Single : B 85 MET CE :methyl -103:sc= -4.81! (180deg=-11.2!) USER MOD Single : B 86 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -10.802 4.103 10.314 1.00 0.00 N ATOM 9 CA SER A 2 -10.164 2.891 10.779 1.00 0.00 C ATOM 10 C SER A 2 -8.646 3.055 10.815 1.00 0.00 C ATOM 11 O SER A 2 -8.094 4.052 10.295 1.00 0.00 O ATOM 12 CB SER A 2 -10.537 1.751 9.841 1.00 0.00 C ATOM 13 OG SER A 2 -11.809 2.035 9.253 1.00 0.00 O ATOM 0 HA SER A 2 -10.505 2.673 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.780 1.637 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.576 0.809 10.389 1.00 0.00 H new ATOM 0 HG SER A 2 -11.714 2.091 8.279 1.00 0.00 H new ATOM 19 N GLU A 3 -7.953 2.052 11.344 1.00 0.00 N ATOM 20 CA GLU A 3 -6.505 2.078 11.336 1.00 0.00 C ATOM 21 C GLU A 3 -6.002 2.058 9.917 1.00 0.00 C ATOM 22 O GLU A 3 -5.019 2.708 9.593 1.00 0.00 O ATOM 23 CB GLU A 3 -5.907 0.900 12.107 1.00 0.00 C ATOM 24 CG GLU A 3 -6.144 1.087 13.604 1.00 0.00 C ATOM 25 CD GLU A 3 -5.608 -0.094 14.395 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.075 -1.000 13.796 1.00 0.00 O ATOM 27 OE2 GLU A 3 -5.729 -0.075 15.596 1.00 0.00 O ATOM 0 H GLU A 3 -8.367 1.226 11.776 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.190 2.996 11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.360 -0.033 11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.838 0.826 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.659 2.004 13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.211 1.202 13.795 1.00 0.00 H new ATOM 34 N LEU A 4 -6.673 1.300 9.071 1.00 0.00 N ATOM 35 CA LEU A 4 -6.246 1.176 7.690 1.00 0.00 C ATOM 36 C LEU A 4 -6.247 2.526 7.004 1.00 0.00 C ATOM 37 O LEU A 4 -5.237 2.930 6.434 1.00 0.00 O ATOM 38 CB LEU A 4 -7.199 0.235 6.939 1.00 0.00 C ATOM 39 CG LEU A 4 -6.822 -1.246 7.145 1.00 0.00 C ATOM 40 CD1 LEU A 4 -5.846 -1.685 6.054 1.00 0.00 C ATOM 41 CD2 LEU A 4 -6.204 -1.478 8.533 1.00 0.00 C ATOM 0 H LEU A 4 -7.508 0.766 9.312 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.233 0.773 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.220 0.401 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.179 0.471 5.875 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.732 -1.843 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.581 -2.732 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.314 -1.564 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.946 -1.073 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.949 -2.532 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.303 -0.874 8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.921 -1.193 9.303 1.00 0.00 H new ATOM 53 N GLU A 5 -7.320 3.282 7.169 1.00 0.00 N ATOM 54 CA GLU A 5 -7.374 4.597 6.571 1.00 0.00 C ATOM 55 C GLU A 5 -6.289 5.474 7.164 1.00 0.00 C ATOM 56 O GLU A 5 -5.515 6.107 6.450 1.00 0.00 O ATOM 57 CB GLU A 5 -8.751 5.227 6.800 1.00 0.00 C ATOM 58 CG GLU A 5 -9.816 4.458 5.998 1.00 0.00 C ATOM 59 CD GLU A 5 -11.212 5.035 6.236 1.00 0.00 C ATOM 60 OE1 GLU A 5 -11.337 5.942 7.043 1.00 0.00 O ATOM 61 OE2 GLU A 5 -12.135 4.565 5.604 1.00 0.00 O ATOM 0 H GLU A 5 -8.147 3.012 7.701 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.210 4.507 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.998 5.208 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.738 6.273 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.577 4.503 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.801 3.406 6.284 1.00 0.00 H new ATOM 68 N THR A 6 -6.170 5.407 8.470 1.00 0.00 N ATOM 69 CA THR A 6 -5.145 6.154 9.170 1.00 0.00 C ATOM 70 C THR A 6 -3.750 5.687 8.756 1.00 0.00 C ATOM 71 O THR A 6 -2.887 6.512 8.420 1.00 0.00 O ATOM 72 CB THR A 6 -5.353 6.002 10.675 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.735 6.196 10.956 1.00 0.00 O ATOM 74 CG2 THR A 6 -4.530 7.064 11.422 1.00 0.00 C ATOM 0 H THR A 6 -6.770 4.843 9.072 1.00 0.00 H new ATOM 0 HA THR A 6 -5.224 7.208 8.905 1.00 0.00 H new ATOM 0 HB THR A 6 -5.033 5.011 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.200 5.334 10.920 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.681 6.952 12.496 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.473 6.936 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.852 8.058 11.112 1.00 0.00 H new ATOM 82 N ALA A 7 -3.538 4.380 8.723 1.00 0.00 N ATOM 83 CA ALA A 7 -2.250 3.842 8.328 1.00 0.00 C ATOM 84 C ALA A 7 -1.910 4.308 6.928 1.00 0.00 C ATOM 85 O ALA A 7 -0.817 4.813 6.668 1.00 0.00 O ATOM 86 CB ALA A 7 -2.247 2.308 8.382 1.00 0.00 C ATOM 0 H ALA A 7 -4.238 3.678 8.964 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.499 4.206 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.268 1.935 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.463 1.979 9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.008 1.919 7.705 1.00 0.00 H new ATOM 92 N MET A 8 -2.883 4.186 6.037 1.00 0.00 N ATOM 93 CA MET A 8 -2.681 4.617 4.675 1.00 0.00 C ATOM 94 C MET A 8 -2.430 6.118 4.607 1.00 0.00 C ATOM 95 O MET A 8 -1.486 6.570 3.954 1.00 0.00 O ATOM 96 CB MET A 8 -3.870 4.217 3.800 1.00 0.00 C ATOM 97 CG MET A 8 -4.007 2.684 3.762 1.00 0.00 C ATOM 98 SD MET A 8 -2.453 1.931 3.194 1.00 0.00 S ATOM 99 CE MET A 8 -2.490 2.571 1.511 1.00 0.00 C ATOM 0 H MET A 8 -3.805 3.797 6.235 1.00 0.00 H new ATOM 0 HA MET A 8 -1.793 4.116 4.289 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.785 4.662 4.191 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.734 4.603 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.260 2.309 4.754 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.822 2.400 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.761 2.037 0.902 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.486 2.431 1.090 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.246 3.633 1.520 1.00 0.00 H new ATOM 109 N GLU A 9 -3.190 6.892 5.384 1.00 0.00 N ATOM 110 CA GLU A 9 -2.942 8.326 5.447 1.00 0.00 C ATOM 111 C GLU A 9 -1.599 8.631 6.078 1.00 0.00 C ATOM 112 O GLU A 9 -0.901 9.558 5.653 1.00 0.00 O ATOM 113 CB GLU A 9 -4.074 9.104 6.120 1.00 0.00 C ATOM 114 CG GLU A 9 -5.296 9.107 5.193 1.00 0.00 C ATOM 115 CD GLU A 9 -6.435 9.916 5.787 1.00 0.00 C ATOM 116 OE1 GLU A 9 -6.262 10.487 6.847 1.00 0.00 O ATOM 117 OE2 GLU A 9 -7.463 9.970 5.169 1.00 0.00 O ATOM 0 H GLU A 9 -3.961 6.558 5.962 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.912 8.674 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.328 8.648 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.757 10.126 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.019 9.522 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.626 8.083 5.019 1.00 0.00 H new ATOM 124 N THR A 10 -1.195 7.818 7.032 1.00 0.00 N ATOM 125 CA THR A 10 0.108 7.976 7.643 1.00 0.00 C ATOM 126 C THR A 10 1.163 7.921 6.535 1.00 0.00 C ATOM 127 O THR A 10 2.006 8.815 6.414 1.00 0.00 O ATOM 128 CB THR A 10 0.338 6.865 8.687 1.00 0.00 C ATOM 129 OG1 THR A 10 -0.799 6.792 9.541 1.00 0.00 O ATOM 130 CG2 THR A 10 1.572 7.181 9.539 1.00 0.00 C ATOM 0 H THR A 10 -1.748 7.044 7.400 1.00 0.00 H new ATOM 0 HA THR A 10 0.176 8.933 8.161 1.00 0.00 H new ATOM 0 HB THR A 10 0.492 5.918 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.493 6.247 9.116 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.721 6.388 10.271 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.450 7.251 8.896 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.424 8.129 10.056 1.00 0.00 H new ATOM 138 N LEU A 11 0.991 6.967 5.632 1.00 0.00 N ATOM 139 CA LEU A 11 1.828 6.891 4.437 1.00 0.00 C ATOM 140 C LEU A 11 1.608 8.120 3.544 1.00 0.00 C ATOM 141 O LEU A 11 2.555 8.634 2.935 1.00 0.00 O ATOM 142 CB LEU A 11 1.518 5.617 3.650 1.00 0.00 C ATOM 143 CG LEU A 11 1.957 4.380 4.448 1.00 0.00 C ATOM 144 CD1 LEU A 11 1.455 3.127 3.742 1.00 0.00 C ATOM 145 CD2 LEU A 11 3.492 4.324 4.546 1.00 0.00 C ATOM 0 H LEU A 11 0.283 6.236 5.701 1.00 0.00 H new ATOM 0 HA LEU A 11 2.871 6.869 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.450 5.562 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.032 5.640 2.689 1.00 0.00 H new ATOM 0 HG LEU A 11 1.539 4.439 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.763 2.245 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.367 3.156 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.875 3.083 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.788 3.442 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.919 4.271 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.857 5.219 5.049 1.00 0.00 H new ATOM 157 N ILE A 12 0.357 8.562 3.431 1.00 0.00 N ATOM 158 CA ILE A 12 0.027 9.693 2.557 1.00 0.00 C ATOM 159 C ILE A 12 0.749 10.941 3.029 1.00 0.00 C ATOM 160 O ILE A 12 1.297 11.697 2.222 1.00 0.00 O ATOM 161 CB ILE A 12 -1.491 9.972 2.579 1.00 0.00 C ATOM 162 CG1 ILE A 12 -2.286 8.825 1.920 1.00 0.00 C ATOM 163 CG2 ILE A 12 -1.797 11.280 1.843 1.00 0.00 C ATOM 164 CD1 ILE A 12 -2.131 8.862 0.397 1.00 0.00 C ATOM 0 H ILE A 12 -0.439 8.161 3.927 1.00 0.00 H new ATOM 0 HA ILE A 12 0.338 9.437 1.544 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.795 10.051 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.935 7.867 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.340 8.908 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.871 11.467 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.275 12.103 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.463 11.202 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.700 8.045 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.505 9.813 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.078 8.755 0.136 1.00 0.00 H new ATOM 176 N ASN A 13 0.737 11.160 4.330 1.00 0.00 N ATOM 177 CA ASN A 13 1.346 12.354 4.893 1.00 0.00 C ATOM 178 C ASN A 13 2.814 12.370 4.578 1.00 0.00 C ATOM 179 O ASN A 13 3.348 13.371 4.118 1.00 0.00 O ATOM 180 CB ASN A 13 1.127 12.392 6.402 1.00 0.00 C ATOM 181 CG ASN A 13 -0.321 12.757 6.683 1.00 0.00 C ATOM 182 OD1 ASN A 13 -0.696 13.941 6.642 1.00 0.00 O ATOM 183 ND2 ASN A 13 -1.177 11.818 6.915 1.00 0.00 N ATOM 0 H ASN A 13 0.316 10.532 5.015 1.00 0.00 H new ATOM 0 HA ASN A 13 0.880 13.236 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.363 11.423 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.795 13.121 6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.159 12.049 7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.871 10.846 6.949 1.00 0.00 H new ATOM 190 N VAL A 14 3.439 11.219 4.689 1.00 0.00 N ATOM 191 CA VAL A 14 4.820 11.087 4.295 1.00 0.00 C ATOM 192 C VAL A 14 4.946 11.361 2.797 1.00 0.00 C ATOM 193 O VAL A 14 5.812 12.119 2.361 1.00 0.00 O ATOM 194 CB VAL A 14 5.320 9.676 4.636 1.00 0.00 C ATOM 195 CG1 VAL A 14 6.733 9.466 4.090 1.00 0.00 C ATOM 196 CG2 VAL A 14 5.330 9.491 6.152 1.00 0.00 C ATOM 0 H VAL A 14 3.013 10.365 5.048 1.00 0.00 H new ATOM 0 HA VAL A 14 5.432 11.809 4.835 1.00 0.00 H new ATOM 0 HB VAL A 14 4.652 8.946 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.074 8.461 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.726 9.588 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.407 10.199 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.685 8.489 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.992 10.230 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.320 9.622 6.541 1.00 0.00 H new ATOM 206 N PHE A 15 4.049 10.761 2.026 1.00 0.00 N ATOM 207 CA PHE A 15 4.049 10.944 0.581 1.00 0.00 C ATOM 208 C PHE A 15 3.861 12.422 0.236 1.00 0.00 C ATOM 209 O PHE A 15 4.632 12.985 -0.554 1.00 0.00 O ATOM 210 CB PHE A 15 2.926 10.111 -0.053 1.00 0.00 C ATOM 211 CG PHE A 15 2.995 10.226 -1.556 1.00 0.00 C ATOM 212 CD1 PHE A 15 3.901 9.432 -2.278 1.00 0.00 C ATOM 213 CD2 PHE A 15 2.156 11.119 -2.237 1.00 0.00 C ATOM 214 CE1 PHE A 15 3.960 9.535 -3.672 1.00 0.00 C ATOM 215 CE2 PHE A 15 2.220 11.219 -3.632 1.00 0.00 C ATOM 216 CZ PHE A 15 3.122 10.428 -4.346 1.00 0.00 C ATOM 0 H PHE A 15 3.315 10.146 2.375 1.00 0.00 H new ATOM 0 HA PHE A 15 5.008 10.609 0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.021 9.067 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.956 10.458 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.551 8.743 -1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.459 11.731 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.655 8.923 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.572 11.907 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.172 10.506 -5.422 1.00 0.00 H new ATOM 226 N HIS A 16 2.884 13.058 0.875 1.00 0.00 N ATOM 227 CA HIS A 16 2.643 14.482 0.648 1.00 0.00 C ATOM 228 C HIS A 16 3.791 15.338 1.137 1.00 0.00 C ATOM 229 O HIS A 16 4.238 16.260 0.430 1.00 0.00 O ATOM 230 CB HIS A 16 1.327 14.945 1.279 1.00 0.00 C ATOM 231 CG HIS A 16 0.238 14.875 0.249 1.00 0.00 C ATOM 232 ND1 HIS A 16 -0.359 16.014 -0.269 1.00 0.00 N ATOM 233 CD2 HIS A 16 -0.343 13.813 -0.404 1.00 0.00 C ATOM 234 CE1 HIS A 16 -1.254 15.615 -1.199 1.00 0.00 C ATOM 235 NE2 HIS A 16 -1.281 14.284 -1.318 1.00 0.00 N ATOM 0 H HIS A 16 2.253 12.619 1.546 1.00 0.00 H new ATOM 0 HA HIS A 16 2.565 14.610 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 16 1.078 14.316 2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.427 15.964 1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.107 12.773 -0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.871 16.288 -1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.865 13.731 -1.945 1.00 0.00 H new ATOM 244 N ALA A 17 4.313 15.011 2.310 1.00 0.00 N ATOM 245 CA ALA A 17 5.432 15.759 2.859 1.00 0.00 C ATOM 246 C ALA A 17 6.576 15.753 1.868 1.00 0.00 C ATOM 247 O ALA A 17 7.137 16.805 1.540 1.00 0.00 O ATOM 248 CB ALA A 17 5.882 15.152 4.192 1.00 0.00 C ATOM 0 H ALA A 17 3.984 14.242 2.893 1.00 0.00 H new ATOM 0 HA ALA A 17 5.118 16.787 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.720 15.725 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.056 15.180 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.191 14.118 4.035 1.00 0.00 H new ATOM 254 N HIS A 18 6.872 14.581 1.331 1.00 0.00 N ATOM 255 CA HIS A 18 7.899 14.472 0.318 1.00 0.00 C ATOM 256 C HIS A 18 7.433 15.016 -1.034 1.00 0.00 C ATOM 257 O HIS A 18 8.219 15.588 -1.775 1.00 0.00 O ATOM 258 CB HIS A 18 8.444 13.061 0.204 1.00 0.00 C ATOM 259 CG HIS A 18 9.246 12.767 1.440 1.00 0.00 C ATOM 260 ND1 HIS A 18 10.580 13.150 1.569 1.00 0.00 N ATOM 261 CD2 HIS A 18 8.914 12.169 2.626 1.00 0.00 C ATOM 262 CE1 HIS A 18 10.984 12.781 2.800 1.00 0.00 C ATOM 263 NE2 HIS A 18 10.005 12.179 3.486 1.00 0.00 N ATOM 0 H HIS A 18 6.419 13.702 1.579 1.00 0.00 H new ATOM 0 HA HIS A 18 8.726 15.102 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.628 12.345 0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.067 12.965 -0.685 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.145 13.622 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.946 11.751 2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.978 12.950 3.187 1.00 0.00 H new ATOM 272 N SER A 19 6.137 14.897 -1.324 1.00 0.00 N ATOM 273 CA SER A 19 5.611 15.428 -2.582 1.00 0.00 C ATOM 274 C SER A 19 5.956 16.918 -2.699 1.00 0.00 C ATOM 275 O SER A 19 6.355 17.404 -3.758 1.00 0.00 O ATOM 276 CB SER A 19 4.085 15.246 -2.663 1.00 0.00 C ATOM 277 OG SER A 19 3.759 13.856 -2.640 1.00 0.00 O ATOM 0 H SER A 19 5.446 14.449 -0.722 1.00 0.00 H new ATOM 0 HA SER A 19 6.069 14.877 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.605 15.755 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.704 15.703 -3.576 1.00 0.00 H new ATOM 0 HG SER A 19 4.343 13.393 -2.004 1.00 0.00 H new ATOM 283 N GLY A 20 5.832 17.627 -1.592 1.00 0.00 N ATOM 284 CA GLY A 20 6.131 19.057 -1.555 1.00 0.00 C ATOM 285 C GLY A 20 7.573 19.347 -1.960 1.00 0.00 C ATOM 286 O GLY A 20 7.939 20.500 -2.210 1.00 0.00 O ATOM 0 H GLY A 20 5.525 17.239 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.453 19.587 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.952 19.439 -0.550 1.00 0.00 H new ATOM 290 N LYS A 21 8.416 18.336 -1.854 1.00 0.00 N ATOM 291 CA LYS A 21 9.851 18.517 -2.048 1.00 0.00 C ATOM 292 C LYS A 21 10.200 18.902 -3.482 1.00 0.00 C ATOM 293 O LYS A 21 11.122 19.697 -3.698 1.00 0.00 O ATOM 294 CB LYS A 21 10.572 17.228 -1.699 1.00 0.00 C ATOM 295 CG LYS A 21 10.251 16.841 -0.252 1.00 0.00 C ATOM 296 CD LYS A 21 10.816 17.858 0.727 1.00 0.00 C ATOM 297 CE LYS A 21 10.870 17.224 2.112 1.00 0.00 C ATOM 298 NZ LYS A 21 11.958 16.202 2.143 1.00 0.00 N ATOM 0 H LYS A 21 8.136 17.380 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 21 10.167 19.331 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.265 16.432 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.647 17.355 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.171 16.769 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.664 15.856 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.813 18.170 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.193 18.752 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.051 17.988 2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.913 16.761 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.194 15.976 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.638 15.340 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.801 16.577 1.663 1.00 0.00 H new ATOM 312 N GLU A 22 9.587 18.230 -4.450 1.00 0.00 N ATOM 313 CA GLU A 22 9.985 18.406 -5.845 1.00 0.00 C ATOM 314 C GLU A 22 9.226 19.528 -6.554 1.00 0.00 C ATOM 315 O GLU A 22 9.832 20.529 -6.953 1.00 0.00 O ATOM 316 CB GLU A 22 9.915 17.080 -6.626 1.00 0.00 C ATOM 317 CG GLU A 22 8.512 16.455 -6.540 1.00 0.00 C ATOM 318 CD GLU A 22 7.962 16.272 -7.945 1.00 0.00 C ATOM 319 OE1 GLU A 22 7.361 17.196 -8.447 1.00 0.00 O ATOM 320 OE2 GLU A 22 8.176 15.216 -8.512 1.00 0.00 O ATOM 0 H GLU A 22 8.825 17.569 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 22 11.028 18.723 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.174 17.256 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.652 16.382 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.559 15.495 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.850 17.096 -5.958 1.00 0.00 H new ATOM 327 N GLY A 23 7.923 19.370 -6.750 1.00 0.00 N ATOM 328 CA GLY A 23 7.147 20.401 -7.428 1.00 0.00 C ATOM 329 C GLY A 23 5.688 20.005 -7.640 1.00 0.00 C ATOM 330 O GLY A 23 4.804 20.851 -7.585 1.00 0.00 O ATOM 0 H GLY A 23 7.388 18.553 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.187 21.321 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.604 20.616 -8.394 1.00 0.00 H new ATOM 334 N ASP A 24 5.439 18.734 -7.933 1.00 0.00 N ATOM 335 CA ASP A 24 4.077 18.287 -8.235 1.00 0.00 C ATOM 336 C ASP A 24 3.168 18.424 -7.035 1.00 0.00 C ATOM 337 O ASP A 24 3.604 18.264 -5.893 1.00 0.00 O ATOM 338 CB ASP A 24 4.042 16.834 -8.708 1.00 0.00 C ATOM 339 CG ASP A 24 2.660 16.528 -9.279 1.00 0.00 C ATOM 340 OD1 ASP A 24 2.465 16.777 -10.454 1.00 0.00 O ATOM 341 OD2 ASP A 24 1.805 16.092 -8.536 1.00 0.00 O ATOM 0 H ASP A 24 6.148 18.001 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 24 3.722 18.932 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.807 16.667 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.263 16.163 -7.878 1.00 0.00 H new ATOM 346 N LYS A 25 1.887 18.631 -7.294 1.00 0.00 N ATOM 347 CA LYS A 25 0.900 18.693 -6.231 1.00 0.00 C ATOM 348 C LYS A 25 0.940 17.408 -5.405 1.00 0.00 C ATOM 349 O LYS A 25 0.983 17.458 -4.178 1.00 0.00 O ATOM 350 CB LYS A 25 -0.506 18.910 -6.803 1.00 0.00 C ATOM 351 CG LYS A 25 -0.745 17.949 -7.983 1.00 0.00 C ATOM 352 CD LYS A 25 -2.140 18.162 -8.568 1.00 0.00 C ATOM 353 CE LYS A 25 -2.395 17.106 -9.657 1.00 0.00 C ATOM 354 NZ LYS A 25 -3.849 16.855 -9.789 1.00 0.00 N ATOM 0 H LYS A 25 1.507 18.759 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 25 1.141 19.539 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.254 18.741 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.618 19.942 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.008 18.114 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.638 16.917 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.893 18.083 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.222 19.164 -8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.989 17.448 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.879 16.180 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.085 16.699 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.107 16.012 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.377 17.677 -9.433 1.00 0.00 H new ATOM 368 N TYR A 26 1.075 16.274 -6.085 1.00 0.00 N ATOM 369 CA TYR A 26 1.287 15.011 -5.397 1.00 0.00 C ATOM 370 C TYR A 26 1.953 13.986 -6.300 1.00 0.00 C ATOM 371 O TYR A 26 1.297 13.136 -6.896 1.00 0.00 O ATOM 372 CB TYR A 26 -0.026 14.452 -4.803 1.00 0.00 C ATOM 373 CG TYR A 26 -1.170 14.571 -5.799 1.00 0.00 C ATOM 374 CD1 TYR A 26 -1.415 13.549 -6.725 1.00 0.00 C ATOM 375 CD2 TYR A 26 -1.993 15.705 -5.779 1.00 0.00 C ATOM 376 CE1 TYR A 26 -2.476 13.658 -7.629 1.00 0.00 C ATOM 377 CE2 TYR A 26 -3.052 15.815 -6.684 1.00 0.00 C ATOM 378 CZ TYR A 26 -3.297 14.788 -7.612 1.00 0.00 C ATOM 379 OH TYR A 26 -4.337 14.901 -8.513 1.00 0.00 O ATOM 0 H TYR A 26 1.041 16.206 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 26 1.964 15.214 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.112 13.407 -4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.276 14.993 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.782 12.674 -6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.809 16.494 -5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.661 12.868 -8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.684 16.691 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.054 14.281 -8.264 1.00 0.00 H new ATOM 389 N LYS A 27 3.255 13.949 -6.218 1.00 0.00 N ATOM 390 CA LYS A 27 4.078 12.941 -6.844 1.00 0.00 C ATOM 391 C LYS A 27 5.343 12.843 -6.043 1.00 0.00 C ATOM 392 O LYS A 27 5.690 13.783 -5.319 1.00 0.00 O ATOM 393 CB LYS A 27 4.403 13.278 -8.317 1.00 0.00 C ATOM 394 CG LYS A 27 3.126 13.253 -9.192 1.00 0.00 C ATOM 395 CD LYS A 27 2.517 11.836 -9.266 1.00 0.00 C ATOM 396 CE LYS A 27 3.298 10.972 -10.265 1.00 0.00 C ATOM 397 NZ LYS A 27 3.515 11.727 -11.530 1.00 0.00 N ATOM 0 H LYS A 27 3.794 14.641 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 27 3.540 11.993 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.867 14.263 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.127 12.562 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.390 13.945 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.366 13.600 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.537 11.372 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.471 11.897 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.257 10.682 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.750 10.053 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.843 11.075 -12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.622 12.170 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.232 12.464 -11.376 1.00 0.00 H new ATOM 411 N LEU A 28 6.028 11.736 -6.136 1.00 0.00 N ATOM 412 CA LEU A 28 7.220 11.556 -5.359 1.00 0.00 C ATOM 413 C LEU A 28 8.393 11.309 -6.279 1.00 0.00 C ATOM 414 O LEU A 28 8.405 10.357 -7.067 1.00 0.00 O ATOM 415 CB LEU A 28 7.028 10.378 -4.405 1.00 0.00 C ATOM 416 CG LEU A 28 8.235 10.221 -3.482 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.299 11.405 -2.523 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.082 8.930 -2.684 1.00 0.00 C ATOM 0 H LEU A 28 5.782 10.951 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 28 7.420 12.454 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.128 10.530 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.881 9.462 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 28 9.150 10.186 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.160 11.293 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.395 12.330 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.388 11.439 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.939 8.808 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.168 8.975 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.029 8.083 -3.368 1.00 0.00 H new ATOM 430 N SER A 29 9.365 12.183 -6.188 1.00 0.00 N ATOM 431 CA SER A 29 10.546 12.097 -6.992 1.00 0.00 C ATOM 432 C SER A 29 11.498 11.063 -6.413 1.00 0.00 C ATOM 433 O SER A 29 11.493 10.807 -5.192 1.00 0.00 O ATOM 434 CB SER A 29 11.214 13.470 -7.035 1.00 0.00 C ATOM 435 OG SER A 29 11.334 13.968 -5.705 1.00 0.00 O ATOM 0 H SER A 29 9.353 12.977 -5.548 1.00 0.00 H new ATOM 0 HA SER A 29 10.282 11.789 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.197 13.396 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.625 14.157 -7.643 1.00 0.00 H new ATOM 0 HG SER A 29 11.389 13.217 -5.078 1.00 0.00 H new ATOM 441 N LYS A 30 12.397 10.555 -7.238 1.00 0.00 N ATOM 442 CA LYS A 30 13.425 9.658 -6.735 1.00 0.00 C ATOM 443 C LYS A 30 14.395 10.449 -5.870 1.00 0.00 C ATOM 444 O LYS A 30 15.232 9.890 -5.151 1.00 0.00 O ATOM 445 CB LYS A 30 14.162 8.961 -7.885 1.00 0.00 C ATOM 446 CG LYS A 30 13.150 8.402 -8.911 1.00 0.00 C ATOM 447 CD LYS A 30 12.067 7.550 -8.213 1.00 0.00 C ATOM 448 CE LYS A 30 12.656 6.210 -7.745 1.00 0.00 C ATOM 449 NZ LYS A 30 13.118 5.430 -8.915 1.00 0.00 N ATOM 0 H LYS A 30 12.438 10.743 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 30 12.956 8.880 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.835 9.665 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.778 8.151 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.680 9.225 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.674 7.796 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.662 8.094 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.239 7.370 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.487 6.386 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.905 5.645 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.788 4.699 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.302 4.978 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.589 6.064 -9.591 1.00 0.00 H new ATOM 463 N LYS A 31 14.196 11.756 -5.856 1.00 0.00 N ATOM 464 CA LYS A 31 14.979 12.636 -5.026 1.00 0.00 C ATOM 465 C LYS A 31 14.715 12.257 -3.591 1.00 0.00 C ATOM 466 O LYS A 31 15.621 12.137 -2.773 1.00 0.00 O ATOM 467 CB LYS A 31 14.456 14.060 -5.216 1.00 0.00 C ATOM 468 CG LYS A 31 14.618 14.482 -6.670 1.00 0.00 C ATOM 469 CD LYS A 31 14.017 15.871 -6.874 1.00 0.00 C ATOM 470 CE LYS A 31 14.001 16.188 -8.367 1.00 0.00 C ATOM 471 NZ LYS A 31 15.390 16.387 -8.859 1.00 0.00 N ATOM 0 H LYS A 31 13.489 12.229 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 31 16.037 12.567 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.406 14.113 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.000 14.746 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.674 14.489 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.126 13.763 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.005 15.907 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.602 16.617 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.525 15.375 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.409 17.085 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.365 16.750 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.880 17.071 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.898 15.480 -8.841 1.00 0.00 H new ATOM 485 N GLU A 32 13.440 12.067 -3.310 1.00 0.00 N ATOM 486 CA GLU A 32 12.968 11.774 -1.984 1.00 0.00 C ATOM 487 C GLU A 32 12.759 10.284 -1.799 1.00 0.00 C ATOM 488 O GLU A 32 12.991 9.752 -0.724 1.00 0.00 O ATOM 489 CB GLU A 32 11.629 12.484 -1.782 1.00 0.00 C ATOM 490 CG GLU A 32 11.798 13.994 -2.002 1.00 0.00 C ATOM 491 CD GLU A 32 12.652 14.601 -0.906 1.00 0.00 C ATOM 492 OE1 GLU A 32 12.296 14.449 0.252 1.00 0.00 O ATOM 493 OE2 GLU A 32 13.646 15.210 -1.228 1.00 0.00 O ATOM 0 H GLU A 32 12.699 12.114 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 32 13.709 12.115 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.889 12.087 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.255 12.294 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.259 14.176 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.821 14.476 -2.018 1.00 0.00 H new ATOM 500 N LEU A 33 12.189 9.637 -2.814 1.00 0.00 N ATOM 501 CA LEU A 33 11.719 8.259 -2.658 1.00 0.00 C ATOM 502 C LEU A 33 12.779 7.357 -2.058 1.00 0.00 C ATOM 503 O LEU A 33 12.526 6.690 -1.062 1.00 0.00 O ATOM 504 CB LEU A 33 11.230 7.694 -4.011 1.00 0.00 C ATOM 505 CG LEU A 33 10.760 6.218 -3.888 1.00 0.00 C ATOM 506 CD1 LEU A 33 11.962 5.272 -3.911 1.00 0.00 C ATOM 507 CD2 LEU A 33 9.952 5.988 -2.597 1.00 0.00 C ATOM 0 H LEU A 33 12.042 10.036 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 33 10.881 8.282 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.409 8.306 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.035 7.759 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 33 10.114 6.009 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.616 4.242 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.504 5.395 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.624 5.504 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.640 4.945 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.572 6.225 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.072 6.631 -2.599 1.00 0.00 H new ATOM 519 N LYS A 34 13.974 7.372 -2.604 1.00 0.00 N ATOM 520 CA LYS A 34 15.014 6.532 -2.038 1.00 0.00 C ATOM 521 C LYS A 34 15.350 6.962 -0.621 1.00 0.00 C ATOM 522 O LYS A 34 15.504 6.131 0.268 1.00 0.00 O ATOM 523 CB LYS A 34 16.295 6.514 -2.900 1.00 0.00 C ATOM 524 CG LYS A 34 16.542 7.886 -3.562 1.00 0.00 C ATOM 525 CD LYS A 34 18.047 8.052 -3.840 1.00 0.00 C ATOM 526 CE LYS A 34 18.302 9.305 -4.698 1.00 0.00 C ATOM 527 NZ LYS A 34 17.438 10.439 -4.247 1.00 0.00 N ATOM 0 H LYS A 34 14.248 7.933 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 34 14.615 5.518 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.150 6.248 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.208 5.747 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.978 7.961 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.190 8.686 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.590 8.132 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.428 7.169 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.351 9.591 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.100 9.082 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.730 11.312 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.445 10.231 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.538 10.564 -3.219 1.00 0.00 H new ATOM 541 N GLU A 35 15.530 8.256 -0.451 1.00 0.00 N ATOM 542 CA GLU A 35 15.968 8.819 0.808 1.00 0.00 C ATOM 543 C GLU A 35 14.878 8.708 1.871 1.00 0.00 C ATOM 544 O GLU A 35 15.118 8.195 2.972 1.00 0.00 O ATOM 545 CB GLU A 35 16.382 10.266 0.565 1.00 0.00 C ATOM 546 CG GLU A 35 17.603 10.234 -0.371 1.00 0.00 C ATOM 547 CD GLU A 35 18.035 11.617 -0.794 1.00 0.00 C ATOM 548 OE1 GLU A 35 17.675 12.566 -0.137 1.00 0.00 O ATOM 549 OE2 GLU A 35 18.715 11.706 -1.785 1.00 0.00 O ATOM 0 H GLU A 35 15.376 8.948 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 35 16.822 8.260 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.565 10.830 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.630 10.759 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.431 9.735 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.365 9.643 -1.256 1.00 0.00 H new ATOM 556 N LEU A 36 13.667 9.031 1.487 1.00 0.00 N ATOM 557 CA LEU A 36 12.519 8.836 2.351 1.00 0.00 C ATOM 558 C LEU A 36 12.313 7.357 2.653 1.00 0.00 C ATOM 559 O LEU A 36 12.095 6.973 3.806 1.00 0.00 O ATOM 560 CB LEU A 36 11.254 9.494 1.722 1.00 0.00 C ATOM 561 CG LEU A 36 10.077 8.499 1.574 1.00 0.00 C ATOM 562 CD1 LEU A 36 9.485 8.156 2.934 1.00 0.00 C ATOM 563 CD2 LEU A 36 8.995 9.143 0.717 1.00 0.00 C ATOM 0 H LEU A 36 13.446 9.433 0.576 1.00 0.00 H new ATOM 0 HA LEU A 36 12.704 9.329 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.939 10.334 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.508 9.899 0.742 1.00 0.00 H new ATOM 0 HG LEU A 36 10.446 7.584 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.660 7.456 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.252 7.702 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.118 9.065 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.160 8.452 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.647 10.058 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.403 9.381 -0.265 1.00 0.00 H new ATOM 575 N LEU A 37 12.426 6.526 1.627 1.00 0.00 N ATOM 576 CA LEU A 37 12.209 5.104 1.805 1.00 0.00 C ATOM 577 C LEU A 37 13.220 4.531 2.797 1.00 0.00 C ATOM 578 O LEU A 37 12.843 3.835 3.744 1.00 0.00 O ATOM 579 CB LEU A 37 12.288 4.378 0.435 1.00 0.00 C ATOM 580 CG LEU A 37 12.076 2.852 0.571 1.00 0.00 C ATOM 581 CD1 LEU A 37 13.363 2.159 1.029 1.00 0.00 C ATOM 582 CD2 LEU A 37 10.945 2.552 1.561 1.00 0.00 C ATOM 0 H LEU A 37 12.663 6.810 0.676 1.00 0.00 H new ATOM 0 HA LEU A 37 11.212 4.944 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.535 4.790 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.260 4.569 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 37 11.802 2.464 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.187 1.087 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.153 2.339 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.666 2.558 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.810 1.474 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.199 2.962 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.020 3.007 1.206 1.00 0.00 H new ATOM 594 N GLN A 38 14.491 4.886 2.643 1.00 0.00 N ATOM 595 CA GLN A 38 15.492 4.410 3.591 1.00 0.00 C ATOM 596 C GLN A 38 15.256 4.986 4.978 1.00 0.00 C ATOM 597 O GLN A 38 15.391 4.286 5.980 1.00 0.00 O ATOM 598 CB GLN A 38 16.926 4.696 3.120 1.00 0.00 C ATOM 599 CG GLN A 38 17.153 6.205 2.960 1.00 0.00 C ATOM 600 CD GLN A 38 18.602 6.474 2.568 1.00 0.00 C ATOM 601 OE1 GLN A 38 18.877 7.342 1.722 1.00 0.00 O ATOM 602 NE2 GLN A 38 19.552 5.791 3.137 1.00 0.00 N ATOM 0 H GLN A 38 14.845 5.483 1.896 1.00 0.00 H new ATOM 0 HA GLN A 38 15.380 3.327 3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.638 4.290 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 38 17.110 4.193 2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.482 6.604 2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.918 6.718 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 19.323 5.079 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 38 20.526 5.967 2.889 1.00 0.00 H new ATOM 611 N THR A 39 14.967 6.273 5.044 1.00 0.00 N ATOM 612 CA THR A 39 14.781 6.926 6.313 1.00 0.00 C ATOM 613 C THR A 39 13.573 6.379 7.063 1.00 0.00 C ATOM 614 O THR A 39 13.673 6.063 8.261 1.00 0.00 O ATOM 615 CB THR A 39 14.710 8.463 6.136 1.00 0.00 C ATOM 616 OG1 THR A 39 15.922 9.060 6.587 1.00 0.00 O ATOM 617 CG2 THR A 39 13.521 9.057 6.905 1.00 0.00 C ATOM 0 H THR A 39 14.858 6.880 4.232 1.00 0.00 H new ATOM 0 HA THR A 39 15.651 6.706 6.931 1.00 0.00 H new ATOM 0 HB THR A 39 14.571 8.675 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.871 10.032 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.498 10.137 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.593 8.622 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.627 8.834 7.967 1.00 0.00 H new ATOM 625 N GLU A 40 12.421 6.344 6.400 1.00 0.00 N ATOM 626 CA GLU A 40 11.203 5.938 7.083 1.00 0.00 C ATOM 627 C GLU A 40 11.204 4.436 7.376 1.00 0.00 C ATOM 628 O GLU A 40 10.801 4.011 8.467 1.00 0.00 O ATOM 629 CB GLU A 40 9.967 6.324 6.271 1.00 0.00 C ATOM 630 CG GLU A 40 9.944 7.852 6.024 1.00 0.00 C ATOM 631 CD GLU A 40 9.890 8.659 7.314 1.00 0.00 C ATOM 632 OE1 GLU A 40 9.529 8.117 8.322 1.00 0.00 O ATOM 633 OE2 GLU A 40 10.224 9.823 7.268 1.00 0.00 O ATOM 0 H GLU A 40 12.308 6.586 5.416 1.00 0.00 H new ATOM 0 HA GLU A 40 11.168 6.467 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.969 5.794 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.065 6.021 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.832 8.137 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.080 8.103 5.408 1.00 0.00 H new ATOM 640 N LEU A 41 11.673 3.639 6.406 1.00 0.00 N ATOM 641 CA LEU A 41 11.720 2.180 6.551 1.00 0.00 C ATOM 642 C LEU A 41 13.111 1.737 6.948 1.00 0.00 C ATOM 643 O LEU A 41 13.561 0.636 6.590 1.00 0.00 O ATOM 644 CB LEU A 41 11.325 1.472 5.249 1.00 0.00 C ATOM 645 CG LEU A 41 9.795 1.359 5.146 1.00 0.00 C ATOM 646 CD1 LEU A 41 9.179 2.750 4.986 1.00 0.00 C ATOM 647 CD2 LEU A 41 9.427 0.488 3.942 1.00 0.00 C ATOM 0 H LEU A 41 12.025 3.982 5.512 1.00 0.00 H new ATOM 0 HA LEU A 41 11.006 1.908 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.714 2.025 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.773 0.479 5.217 1.00 0.00 H new ATOM 0 HG LEU A 41 9.406 0.902 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.095 2.662 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.436 3.363 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.566 3.217 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.342 0.408 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.820 0.941 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.857 -0.506 4.067 1.00 0.00 H new ATOM 659 N SER A 42 13.815 2.613 7.625 1.00 0.00 N ATOM 660 CA SER A 42 15.178 2.350 8.001 1.00 0.00 C ATOM 661 C SER A 42 15.276 1.039 8.766 1.00 0.00 C ATOM 662 O SER A 42 16.232 0.276 8.595 1.00 0.00 O ATOM 663 CB SER A 42 15.699 3.513 8.844 1.00 0.00 C ATOM 664 OG SER A 42 14.594 4.160 9.484 1.00 0.00 O ATOM 0 H SER A 42 13.460 3.520 7.927 1.00 0.00 H new ATOM 0 HA SER A 42 15.791 2.257 7.104 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.405 3.150 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.237 4.222 8.215 1.00 0.00 H new ATOM 0 HG SER A 42 14.578 5.107 9.231 1.00 0.00 H new ATOM 670 N GLY A 43 14.246 0.737 9.530 1.00 0.00 N ATOM 671 CA GLY A 43 14.180 -0.522 10.253 1.00 0.00 C ATOM 672 C GLY A 43 14.065 -1.697 9.294 1.00 0.00 C ATOM 673 O GLY A 43 14.863 -2.638 9.356 1.00 0.00 O ATOM 0 H GLY A 43 13.440 1.346 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.071 -0.638 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.324 -0.514 10.927 1.00 0.00 H new ATOM 677 N PHE A 44 13.126 -1.611 8.351 1.00 0.00 N ATOM 678 CA PHE A 44 12.972 -2.676 7.357 1.00 0.00 C ATOM 679 C PHE A 44 14.158 -2.708 6.457 1.00 0.00 C ATOM 680 O PHE A 44 14.687 -3.776 6.131 1.00 0.00 O ATOM 681 CB PHE A 44 11.709 -2.487 6.504 1.00 0.00 C ATOM 682 CG PHE A 44 10.473 -2.919 7.269 1.00 0.00 C ATOM 683 CD1 PHE A 44 10.294 -4.260 7.602 1.00 0.00 C ATOM 684 CD2 PHE A 44 9.518 -1.984 7.618 1.00 0.00 C ATOM 685 CE1 PHE A 44 9.157 -4.660 8.312 1.00 0.00 C ATOM 686 CE2 PHE A 44 8.379 -2.384 8.327 1.00 0.00 C ATOM 687 CZ PHE A 44 8.195 -3.725 8.667 1.00 0.00 C ATOM 0 H PHE A 44 12.473 -0.833 8.254 1.00 0.00 H new ATOM 0 HA PHE A 44 12.882 -3.615 7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.615 -1.441 6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.795 -3.067 5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.034 -4.991 7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.650 -0.947 7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.028 -5.697 8.584 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.639 -1.651 8.612 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.309 -4.033 9.203 1.00 0.00 H new ATOM 697 N LEU A 45 14.593 -1.543 6.060 1.00 0.00 N ATOM 698 CA LEU A 45 15.705 -1.433 5.171 1.00 0.00 C ATOM 699 C LEU A 45 16.953 -2.024 5.799 1.00 0.00 C ATOM 700 O LEU A 45 17.620 -2.845 5.194 1.00 0.00 O ATOM 701 CB LEU A 45 15.917 0.033 4.801 1.00 0.00 C ATOM 702 CG LEU A 45 17.189 0.178 3.985 1.00 0.00 C ATOM 703 CD1 LEU A 45 17.107 -0.670 2.706 1.00 0.00 C ATOM 704 CD2 LEU A 45 17.414 1.643 3.630 1.00 0.00 C ATOM 0 H LEU A 45 14.186 -0.652 6.344 1.00 0.00 H new ATOM 0 HA LEU A 45 15.496 -1.998 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.064 0.401 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.982 0.640 5.704 1.00 0.00 H new ATOM 0 HG LEU A 45 18.029 -0.177 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 45 18.027 -0.554 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.975 -1.719 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.261 -0.339 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.328 1.739 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.569 2.010 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.505 2.229 4.544 1.00 0.00 H new ATOM 716 N ASP A 46 17.219 -1.669 7.042 1.00 0.00 N ATOM 717 CA ASP A 46 18.352 -2.233 7.766 1.00 0.00 C ATOM 718 C ASP A 46 18.160 -3.718 8.021 1.00 0.00 C ATOM 719 O ASP A 46 19.109 -4.493 7.966 1.00 0.00 O ATOM 720 CB ASP A 46 18.567 -1.497 9.076 1.00 0.00 C ATOM 721 CG ASP A 46 19.694 -2.129 9.860 1.00 0.00 C ATOM 722 OD1 ASP A 46 20.832 -1.964 9.471 1.00 0.00 O ATOM 723 OD2 ASP A 46 19.409 -2.764 10.838 1.00 0.00 O ATOM 0 H ASP A 46 16.669 -0.994 7.574 1.00 0.00 H new ATOM 0 HA ASP A 46 19.239 -2.110 7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.796 -0.450 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.650 -1.517 9.666 1.00 0.00 H new ATOM 728 N ALA A 47 16.942 -4.099 8.357 1.00 0.00 N ATOM 729 CA ALA A 47 16.658 -5.491 8.683 1.00 0.00 C ATOM 730 C ALA A 47 16.910 -6.412 7.498 1.00 0.00 C ATOM 731 O ALA A 47 17.441 -7.516 7.667 1.00 0.00 O ATOM 732 CB ALA A 47 15.220 -5.648 9.178 1.00 0.00 C ATOM 0 H ALA A 47 16.138 -3.474 8.412 1.00 0.00 H new ATOM 0 HA ALA A 47 17.341 -5.782 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.029 -6.695 9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.074 -5.041 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.530 -5.321 8.400 1.00 0.00 H new ATOM 738 N GLN A 48 16.515 -5.977 6.305 1.00 0.00 N ATOM 739 CA GLN A 48 16.701 -6.790 5.105 1.00 0.00 C ATOM 740 C GLN A 48 17.376 -6.022 3.973 1.00 0.00 C ATOM 741 O GLN A 48 17.038 -6.207 2.802 1.00 0.00 O ATOM 742 CB GLN A 48 15.372 -7.419 4.620 1.00 0.00 C ATOM 743 CG GLN A 48 14.208 -6.431 4.740 1.00 0.00 C ATOM 744 CD GLN A 48 14.203 -5.480 3.541 1.00 0.00 C ATOM 745 OE1 GLN A 48 13.803 -5.863 2.443 1.00 0.00 O ATOM 746 NE2 GLN A 48 14.627 -4.267 3.686 1.00 0.00 N ATOM 0 H GLN A 48 16.068 -5.075 6.143 1.00 0.00 H new ATOM 0 HA GLN A 48 17.373 -7.598 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.476 -7.737 3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.155 -8.312 5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.264 -6.973 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.297 -5.862 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.959 -3.948 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.629 -3.629 2.890 1.00 0.00 H new ATOM 755 N LYS A 49 18.359 -5.208 4.306 1.00 0.00 N ATOM 756 CA LYS A 49 19.078 -4.458 3.281 1.00 0.00 C ATOM 757 C LYS A 49 19.735 -5.426 2.303 1.00 0.00 C ATOM 758 O LYS A 49 19.667 -5.245 1.079 1.00 0.00 O ATOM 759 CB LYS A 49 20.175 -3.584 3.919 1.00 0.00 C ATOM 760 CG LYS A 49 20.576 -2.468 2.952 1.00 0.00 C ATOM 761 CD LYS A 49 21.670 -1.609 3.593 1.00 0.00 C ATOM 762 CE LYS A 49 22.075 -0.482 2.641 1.00 0.00 C ATOM 763 NZ LYS A 49 22.443 -1.042 1.312 1.00 0.00 N ATOM 0 H LYS A 49 18.678 -5.047 5.261 1.00 0.00 H new ATOM 0 HA LYS A 49 18.364 -3.820 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 49 19.814 -3.155 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.044 -4.195 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.935 -2.895 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.710 -1.852 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 49 21.311 -1.191 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 49 22.537 -2.226 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.253 0.225 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 49 22.917 0.071 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.009 -0.346 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.998 -1.912 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.579 -1.260 0.776 1.00 0.00 H new ATOM 777 N ASP A 50 20.384 -6.439 2.855 1.00 0.00 N ATOM 778 CA ASP A 50 21.115 -7.436 2.070 1.00 0.00 C ATOM 779 C ASP A 50 20.193 -8.339 1.277 1.00 0.00 C ATOM 780 O ASP A 50 20.642 -9.060 0.389 1.00 0.00 O ATOM 781 CB ASP A 50 22.018 -8.304 2.952 1.00 0.00 C ATOM 782 CG ASP A 50 23.027 -9.016 2.079 1.00 0.00 C ATOM 783 OD1 ASP A 50 23.863 -8.347 1.518 1.00 0.00 O ATOM 784 OD2 ASP A 50 22.957 -10.213 1.979 1.00 0.00 O ATOM 0 H ASP A 50 20.422 -6.598 3.862 1.00 0.00 H new ATOM 0 HA ASP A 50 21.729 -6.865 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 50 22.529 -7.686 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 50 21.420 -9.029 3.503 1.00 0.00 H new ATOM 789 N VAL A 51 18.940 -8.413 1.695 1.00 0.00 N ATOM 790 CA VAL A 51 17.999 -9.367 1.121 1.00 0.00 C ATOM 791 C VAL A 51 17.846 -9.187 -0.391 1.00 0.00 C ATOM 792 O VAL A 51 17.182 -9.996 -1.050 1.00 0.00 O ATOM 793 CB VAL A 51 16.644 -9.315 1.863 1.00 0.00 C ATOM 794 CG1 VAL A 51 15.630 -10.278 1.218 1.00 0.00 C ATOM 795 CG2 VAL A 51 16.860 -9.733 3.324 1.00 0.00 C ATOM 0 H VAL A 51 18.549 -7.824 2.430 1.00 0.00 H new ATOM 0 HA VAL A 51 18.410 -10.367 1.263 1.00 0.00 H new ATOM 0 HB VAL A 51 16.253 -8.299 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.684 -10.224 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.471 -9.996 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.016 -11.296 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.909 -9.700 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.259 -10.747 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.565 -9.050 3.797 1.00 0.00 H new ATOM 805 N ASP A 52 18.532 -8.186 -0.950 1.00 0.00 N ATOM 806 CA ASP A 52 18.566 -7.959 -2.404 1.00 0.00 C ATOM 807 C ASP A 52 17.181 -7.669 -2.973 1.00 0.00 C ATOM 808 O ASP A 52 17.020 -6.774 -3.793 1.00 0.00 O ATOM 809 CB ASP A 52 19.196 -9.167 -3.116 1.00 0.00 C ATOM 810 CG ASP A 52 19.397 -8.886 -4.588 1.00 0.00 C ATOM 811 OD1 ASP A 52 19.990 -7.869 -4.917 1.00 0.00 O ATOM 812 OD2 ASP A 52 18.971 -9.695 -5.377 1.00 0.00 O ATOM 0 H ASP A 52 19.078 -7.512 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 52 19.180 -7.076 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 52 20.154 -9.407 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.555 -10.040 -2.993 1.00 0.00 H new ATOM 817 N ALA A 53 16.175 -8.375 -2.490 1.00 0.00 N ATOM 818 CA ALA A 53 14.808 -8.150 -2.933 1.00 0.00 C ATOM 819 C ALA A 53 14.474 -6.677 -2.804 1.00 0.00 C ATOM 820 O ALA A 53 13.856 -6.088 -3.685 1.00 0.00 O ATOM 821 CB ALA A 53 13.834 -8.981 -2.089 1.00 0.00 C ATOM 0 H ALA A 53 16.277 -9.110 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 53 14.714 -8.455 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.814 -8.804 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.073 -10.039 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.922 -8.691 -1.042 1.00 0.00 H new ATOM 827 N VAL A 54 15.013 -6.052 -1.769 1.00 0.00 N ATOM 828 CA VAL A 54 14.852 -4.623 -1.584 1.00 0.00 C ATOM 829 C VAL A 54 15.405 -3.871 -2.791 1.00 0.00 C ATOM 830 O VAL A 54 14.738 -2.985 -3.335 1.00 0.00 O ATOM 831 CB VAL A 54 15.503 -4.157 -0.250 1.00 0.00 C ATOM 832 CG1 VAL A 54 16.921 -4.728 -0.104 1.00 0.00 C ATOM 833 CG2 VAL A 54 15.586 -2.621 -0.208 1.00 0.00 C ATOM 0 H VAL A 54 15.565 -6.514 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 54 13.789 -4.393 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 54 14.881 -4.521 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 54 17.355 -4.388 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 54 16.877 -5.817 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.539 -4.385 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.043 -2.307 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.190 -2.266 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.583 -2.200 -0.282 1.00 0.00 H new ATOM 843 N ASP A 55 16.555 -4.307 -3.285 1.00 0.00 N ATOM 844 CA ASP A 55 17.118 -3.723 -4.501 1.00 0.00 C ATOM 845 C ASP A 55 16.169 -3.937 -5.663 1.00 0.00 C ATOM 846 O ASP A 55 15.887 -3.023 -6.434 1.00 0.00 O ATOM 847 CB ASP A 55 18.462 -4.381 -4.831 1.00 0.00 C ATOM 848 CG ASP A 55 19.043 -3.783 -6.093 1.00 0.00 C ATOM 849 OD1 ASP A 55 19.331 -2.606 -6.085 1.00 0.00 O ATOM 850 OD2 ASP A 55 19.206 -4.513 -7.051 1.00 0.00 O ATOM 0 H ASP A 55 17.113 -5.054 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 55 17.266 -2.656 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.156 -4.242 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.327 -5.455 -4.958 1.00 0.00 H new ATOM 855 N LYS A 56 15.681 -5.155 -5.780 1.00 0.00 N ATOM 856 CA LYS A 56 14.764 -5.519 -6.849 1.00 0.00 C ATOM 857 C LYS A 56 13.438 -4.783 -6.717 1.00 0.00 C ATOM 858 O LYS A 56 12.881 -4.303 -7.706 1.00 0.00 O ATOM 859 CB LYS A 56 14.556 -7.036 -6.914 1.00 0.00 C ATOM 860 CG LYS A 56 15.837 -7.744 -7.450 1.00 0.00 C ATOM 861 CD LYS A 56 17.116 -6.971 -7.059 1.00 0.00 C ATOM 862 CE LYS A 56 18.362 -7.635 -7.665 1.00 0.00 C ATOM 863 NZ LYS A 56 19.573 -6.935 -7.153 1.00 0.00 N ATOM 0 H LYS A 56 15.905 -5.919 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 56 15.219 -5.210 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.311 -7.418 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.710 -7.265 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.887 -8.758 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.780 -7.830 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.043 -5.940 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 56 17.208 -6.937 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.395 -8.691 -7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 56 18.327 -7.582 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.425 -7.386 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.546 -5.937 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.595 -6.993 -6.115 1.00 0.00 H new ATOM 877 N VAL A 57 12.964 -4.654 -5.499 1.00 0.00 N ATOM 878 CA VAL A 57 11.745 -3.919 -5.231 1.00 0.00 C ATOM 879 C VAL A 57 11.981 -2.460 -5.582 1.00 0.00 C ATOM 880 O VAL A 57 11.194 -1.831 -6.299 1.00 0.00 O ATOM 881 CB VAL A 57 11.349 -4.071 -3.752 1.00 0.00 C ATOM 882 CG1 VAL A 57 10.170 -3.165 -3.433 1.00 0.00 C ATOM 883 CG2 VAL A 57 10.939 -5.525 -3.473 1.00 0.00 C ATOM 0 H VAL A 57 13.407 -5.051 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 57 10.926 -4.311 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 57 12.203 -3.797 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.897 -3.279 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.445 -2.128 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.322 -3.437 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.659 -5.629 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.090 -5.791 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.776 -6.188 -3.693 1.00 0.00 H new ATOM 893 N MET A 58 13.129 -1.976 -5.159 1.00 0.00 N ATOM 894 CA MET A 58 13.585 -0.643 -5.469 1.00 0.00 C ATOM 895 C MET A 58 13.750 -0.480 -6.980 1.00 0.00 C ATOM 896 O MET A 58 13.470 0.591 -7.542 1.00 0.00 O ATOM 897 CB MET A 58 14.922 -0.384 -4.755 1.00 0.00 C ATOM 898 CG MET A 58 15.482 0.966 -5.170 1.00 0.00 C ATOM 899 SD MET A 58 17.117 1.207 -4.423 1.00 0.00 S ATOM 900 CE MET A 58 16.579 1.371 -2.700 1.00 0.00 C ATOM 0 H MET A 58 13.780 -2.508 -4.581 1.00 0.00 H new ATOM 0 HA MET A 58 12.847 0.081 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 58 14.778 -0.410 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 58 15.633 -1.173 -5.001 1.00 0.00 H new ATOM 0 HG2 MET A 58 15.556 1.021 -6.256 1.00 0.00 H new ATOM 0 HG3 MET A 58 14.807 1.762 -4.856 1.00 0.00 H new ATOM 0 HE1 MET A 58 17.326 1.931 -2.137 1.00 0.00 H new ATOM 0 HE2 MET A 58 15.626 1.900 -2.665 1.00 0.00 H new ATOM 0 HE3 MET A 58 16.461 0.381 -2.260 1.00 0.00 H new ATOM 910 N LYS A 59 14.208 -1.538 -7.619 1.00 0.00 N ATOM 911 CA LYS A 59 14.461 -1.533 -9.047 1.00 0.00 C ATOM 912 C LYS A 59 13.196 -1.197 -9.801 1.00 0.00 C ATOM 913 O LYS A 59 13.197 -0.341 -10.683 1.00 0.00 O ATOM 914 CB LYS A 59 15.018 -2.903 -9.489 1.00 0.00 C ATOM 915 CG LYS A 59 15.292 -2.934 -10.993 1.00 0.00 C ATOM 916 CD LYS A 59 16.371 -1.907 -11.333 1.00 0.00 C ATOM 917 CE LYS A 59 17.105 -2.322 -12.607 1.00 0.00 C ATOM 918 NZ LYS A 59 16.174 -3.007 -13.560 1.00 0.00 N ATOM 0 H LYS A 59 14.416 -2.426 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 59 15.205 -0.769 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.938 -3.116 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.307 -3.687 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.615 -3.930 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.378 -2.714 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.920 -0.924 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.078 -1.823 -10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.539 -1.443 -13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.930 -2.988 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.496 -2.847 -14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.164 -4.028 -13.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.215 -2.623 -13.445 1.00 0.00 H new ATOM 932 N GLU A 60 12.099 -1.794 -9.392 1.00 0.00 N ATOM 933 CA GLU A 60 10.827 -1.505 -10.019 1.00 0.00 C ATOM 934 C GLU A 60 10.504 -0.024 -9.859 1.00 0.00 C ATOM 935 O GLU A 60 10.149 0.655 -10.829 1.00 0.00 O ATOM 936 CB GLU A 60 9.733 -2.345 -9.362 1.00 0.00 C ATOM 937 CG GLU A 60 9.954 -3.825 -9.688 1.00 0.00 C ATOM 938 CD GLU A 60 8.926 -4.694 -8.982 1.00 0.00 C ATOM 939 OE1 GLU A 60 8.046 -4.159 -8.344 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.035 -5.890 -9.099 1.00 0.00 O ATOM 0 H GLU A 60 12.060 -2.477 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 60 10.881 -1.748 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.744 -2.195 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.753 -2.026 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.888 -3.978 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.958 -4.123 -9.385 1.00 0.00 H new ATOM 947 N LEU A 61 10.768 0.498 -8.675 1.00 0.00 N ATOM 948 CA LEU A 61 10.602 1.924 -8.436 1.00 0.00 C ATOM 949 C LEU A 61 11.557 2.710 -9.323 1.00 0.00 C ATOM 950 O LEU A 61 11.188 3.747 -9.901 1.00 0.00 O ATOM 951 CB LEU A 61 10.843 2.263 -6.949 1.00 0.00 C ATOM 952 CG LEU A 61 9.566 2.019 -6.118 1.00 0.00 C ATOM 953 CD1 LEU A 61 8.601 3.206 -6.260 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.867 0.720 -6.553 1.00 0.00 C ATOM 0 H LEU A 61 11.095 -0.036 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 61 9.577 2.202 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.658 1.653 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.151 3.304 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 61 9.858 1.920 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.705 3.019 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.087 4.115 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.325 3.327 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.970 0.571 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.592 0.790 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.544 -0.123 -6.410 1.00 0.00 H new ATOM 966 N ASP A 62 12.780 2.229 -9.458 1.00 0.00 N ATOM 967 CA ASP A 62 13.730 2.862 -10.368 1.00 0.00 C ATOM 968 C ASP A 62 13.304 2.722 -11.815 1.00 0.00 C ATOM 969 O ASP A 62 13.369 3.692 -12.566 1.00 0.00 O ATOM 970 CB ASP A 62 15.177 2.405 -10.141 1.00 0.00 C ATOM 971 CG ASP A 62 15.824 3.248 -9.046 1.00 0.00 C ATOM 972 OD1 ASP A 62 15.218 4.217 -8.615 1.00 0.00 O ATOM 973 OD2 ASP A 62 16.920 2.934 -8.667 1.00 0.00 O ATOM 0 H ASP A 62 13.139 1.415 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 62 13.716 3.926 -10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.195 1.352 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.746 2.497 -11.066 1.00 0.00 H new ATOM 978 N GLU A 63 12.808 1.562 -12.186 1.00 0.00 N ATOM 979 CA GLU A 63 12.327 1.373 -13.547 1.00 0.00 C ATOM 980 C GLU A 63 11.120 2.257 -13.770 1.00 0.00 C ATOM 981 O GLU A 63 11.038 2.980 -14.756 1.00 0.00 O ATOM 982 CB GLU A 63 11.924 -0.094 -13.780 1.00 0.00 C ATOM 983 CG GLU A 63 13.181 -0.981 -13.712 1.00 0.00 C ATOM 984 CD GLU A 63 12.835 -2.450 -13.865 1.00 0.00 C ATOM 985 OE1 GLU A 63 11.706 -2.751 -14.191 1.00 0.00 O ATOM 986 OE2 GLU A 63 13.707 -3.262 -13.650 1.00 0.00 O ATOM 0 H GLU A 63 12.725 0.745 -11.580 1.00 0.00 H new ATOM 0 HA GLU A 63 13.125 1.634 -14.243 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.201 -0.409 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.441 -0.201 -14.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.878 -0.687 -14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.688 -0.823 -12.760 1.00 0.00 H new ATOM 993 N ASN A 64 10.215 2.232 -12.815 1.00 0.00 N ATOM 994 CA ASN A 64 9.019 3.055 -12.871 1.00 0.00 C ATOM 995 C ASN A 64 9.378 4.528 -12.806 1.00 0.00 C ATOM 996 O ASN A 64 8.754 5.361 -13.465 1.00 0.00 O ATOM 997 CB ASN A 64 8.122 2.714 -11.691 1.00 0.00 C ATOM 998 CG ASN A 64 6.735 3.320 -11.879 1.00 0.00 C ATOM 999 OD1 ASN A 64 6.609 4.430 -12.384 1.00 0.00 O ATOM 1000 ND2 ASN A 64 5.692 2.652 -11.513 1.00 0.00 N ATOM 0 H ASN A 64 10.283 1.646 -11.983 1.00 0.00 H new ATOM 0 HA ASN A 64 8.504 2.858 -13.811 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.041 1.632 -11.589 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.567 3.089 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.761 3.048 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.799 1.729 -11.093 1.00 0.00 H new ATOM 1007 N GLY A 65 10.320 4.855 -11.924 1.00 0.00 N ATOM 1008 CA GLY A 65 10.697 6.241 -11.637 1.00 0.00 C ATOM 1009 C GLY A 65 11.258 6.967 -12.846 1.00 0.00 C ATOM 1010 O GLY A 65 12.187 7.770 -12.715 1.00 0.00 O ATOM 0 H GLY A 65 10.846 4.166 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.824 6.780 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.438 6.252 -10.838 1.00 0.00 H new ATOM 1014 N ASP A 66 10.637 6.769 -13.996 1.00 0.00 N ATOM 1015 CA ASP A 66 11.015 7.494 -15.196 1.00 0.00 C ATOM 1016 C ASP A 66 10.758 8.965 -14.990 1.00 0.00 C ATOM 1017 O ASP A 66 11.536 9.813 -15.414 1.00 0.00 O ATOM 1018 CB ASP A 66 10.220 6.997 -16.398 1.00 0.00 C ATOM 1019 CG ASP A 66 10.743 7.640 -17.670 1.00 0.00 C ATOM 1020 OD1 ASP A 66 11.901 7.437 -17.989 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.981 8.320 -18.319 1.00 0.00 O ATOM 0 H ASP A 66 9.868 6.111 -14.124 1.00 0.00 H new ATOM 0 HA ASP A 66 12.074 7.327 -15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.297 5.912 -16.471 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.164 7.234 -16.269 1.00 0.00 H new ATOM 1026 N GLY A 67 9.673 9.254 -14.301 1.00 0.00 N ATOM 1027 CA GLY A 67 9.307 10.621 -13.974 1.00 0.00 C ATOM 1028 C GLY A 67 9.233 10.805 -12.472 1.00 0.00 C ATOM 1029 O GLY A 67 10.069 11.488 -11.868 1.00 0.00 O ATOM 0 H GLY A 67 9.021 8.552 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.039 11.310 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.344 10.864 -14.424 1.00 0.00 H new ATOM 1033 N GLU A 68 8.240 10.175 -11.869 1.00 0.00 N ATOM 1034 CA GLU A 68 8.017 10.242 -10.425 1.00 0.00 C ATOM 1035 C GLU A 68 7.446 8.923 -9.950 1.00 0.00 C ATOM 1036 O GLU A 68 6.944 8.140 -10.758 1.00 0.00 O ATOM 1037 CB GLU A 68 6.986 11.332 -10.099 1.00 0.00 C ATOM 1038 CG GLU A 68 7.366 12.661 -10.750 1.00 0.00 C ATOM 1039 CD GLU A 68 6.398 12.967 -11.857 1.00 0.00 C ATOM 1040 OE1 GLU A 68 5.304 13.364 -11.558 1.00 0.00 O ATOM 1041 OE2 GLU A 68 6.751 12.783 -12.994 1.00 0.00 O ATOM 0 H GLU A 68 7.560 9.599 -12.364 1.00 0.00 H new ATOM 0 HA GLU A 68 8.966 10.462 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.001 11.021 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.916 11.459 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.352 13.459 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.381 12.609 -11.143 1.00 0.00 H new ATOM 1048 N VAL A 69 7.346 8.767 -8.643 1.00 0.00 N ATOM 1049 CA VAL A 69 6.623 7.647 -8.067 1.00 0.00 C ATOM 1050 C VAL A 69 5.386 8.182 -7.343 1.00 0.00 C ATOM 1051 O VAL A 69 5.462 9.205 -6.650 1.00 0.00 O ATOM 1052 CB VAL A 69 7.527 6.781 -7.139 1.00 0.00 C ATOM 1053 CG1 VAL A 69 8.887 7.453 -6.903 1.00 0.00 C ATOM 1054 CG2 VAL A 69 6.847 6.504 -5.785 1.00 0.00 C ATOM 0 H VAL A 69 7.757 9.402 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 69 6.303 6.976 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 69 7.685 5.831 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.495 6.825 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.397 7.587 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.736 8.424 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.506 5.898 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.641 7.448 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.911 5.970 -5.950 1.00 0.00 H new ATOM 1064 N ASP A 70 4.233 7.577 -7.586 1.00 0.00 N ATOM 1065 CA ASP A 70 2.997 8.063 -6.972 1.00 0.00 C ATOM 1066 C ASP A 70 2.738 7.337 -5.662 1.00 0.00 C ATOM 1067 O ASP A 70 3.520 6.470 -5.256 1.00 0.00 O ATOM 1068 CB ASP A 70 1.784 7.926 -7.920 1.00 0.00 C ATOM 1069 CG ASP A 70 0.937 6.723 -7.544 1.00 0.00 C ATOM 1070 OD1 ASP A 70 1.404 5.628 -7.715 1.00 0.00 O ATOM 1071 OD2 ASP A 70 -0.173 6.924 -7.082 1.00 0.00 O ATOM 0 H ASP A 70 4.122 6.764 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 70 3.128 9.126 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.178 8.831 -7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.130 7.825 -8.949 1.00 0.00 H new ATOM 1076 N PHE A 71 1.634 7.667 -5.013 1.00 0.00 N ATOM 1077 CA PHE A 71 1.288 7.021 -3.757 1.00 0.00 C ATOM 1078 C PHE A 71 1.122 5.530 -3.963 1.00 0.00 C ATOM 1079 O PHE A 71 1.639 4.723 -3.189 1.00 0.00 O ATOM 1080 CB PHE A 71 0.000 7.608 -3.166 1.00 0.00 C ATOM 1081 CG PHE A 71 -0.254 6.995 -1.800 1.00 0.00 C ATOM 1082 CD1 PHE A 71 0.528 7.389 -0.707 1.00 0.00 C ATOM 1083 CD2 PHE A 71 -1.268 6.036 -1.619 1.00 0.00 C ATOM 1084 CE1 PHE A 71 0.297 6.837 0.556 1.00 0.00 C ATOM 1085 CE2 PHE A 71 -1.494 5.487 -0.353 1.00 0.00 C ATOM 1086 CZ PHE A 71 -0.711 5.889 0.735 1.00 0.00 C ATOM 0 H PHE A 71 0.968 8.371 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 71 2.102 7.201 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.087 8.691 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.842 7.407 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.311 8.121 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.872 5.724 -2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.901 7.145 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.273 4.752 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.887 5.466 1.713 1.00 0.00 H new ATOM 1096 N GLN A 72 0.415 5.169 -5.029 1.00 0.00 N ATOM 1097 CA GLN A 72 0.176 3.769 -5.339 1.00 0.00 C ATOM 1098 C GLN A 72 1.525 3.070 -5.533 1.00 0.00 C ATOM 1099 O GLN A 72 1.744 1.968 -5.049 1.00 0.00 O ATOM 1100 CB GLN A 72 -0.660 3.664 -6.628 1.00 0.00 C ATOM 1101 CG GLN A 72 -1.418 2.334 -6.658 1.00 0.00 C ATOM 1102 CD GLN A 72 -2.096 2.142 -8.015 1.00 0.00 C ATOM 1103 OE1 GLN A 72 -2.836 1.178 -8.209 1.00 0.00 O ATOM 1104 NE2 GLN A 72 -1.888 2.991 -8.971 1.00 0.00 N ATOM 0 H GLN A 72 -0.000 5.826 -5.689 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.369 3.293 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.364 4.494 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.010 3.740 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.730 1.511 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.165 2.315 -5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.276 3.792 -8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.336 2.858 -9.877 1.00 0.00 H new ATOM 1113 N GLU A 73 2.419 3.740 -6.217 1.00 0.00 N ATOM 1114 CA GLU A 73 3.780 3.257 -6.422 1.00 0.00 C ATOM 1115 C GLU A 73 4.583 3.303 -5.113 1.00 0.00 C ATOM 1116 O GLU A 73 5.306 2.364 -4.776 1.00 0.00 O ATOM 1117 CB GLU A 73 4.431 4.083 -7.529 1.00 0.00 C ATOM 1118 CG GLU A 73 3.735 3.708 -8.853 1.00 0.00 C ATOM 1119 CD GLU A 73 4.106 4.641 -9.991 1.00 0.00 C ATOM 1120 OE1 GLU A 73 4.810 5.599 -9.759 1.00 0.00 O ATOM 1121 OE2 GLU A 73 3.659 4.382 -11.091 1.00 0.00 O ATOM 0 H GLU A 73 2.231 4.642 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 73 3.762 2.212 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.323 5.149 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.500 3.876 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.003 2.687 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.655 3.727 -8.710 1.00 0.00 H new ATOM 1128 N TYR A 74 4.412 4.372 -4.363 1.00 0.00 N ATOM 1129 CA TYR A 74 5.070 4.529 -3.068 1.00 0.00 C ATOM 1130 C TYR A 74 4.660 3.440 -2.075 1.00 0.00 C ATOM 1131 O TYR A 74 5.515 2.847 -1.404 1.00 0.00 O ATOM 1132 CB TYR A 74 4.788 5.936 -2.517 1.00 0.00 C ATOM 1133 CG TYR A 74 5.234 6.078 -1.073 1.00 0.00 C ATOM 1134 CD1 TYR A 74 6.588 5.984 -0.728 1.00 0.00 C ATOM 1135 CD2 TYR A 74 4.278 6.319 -0.080 1.00 0.00 C ATOM 1136 CE1 TYR A 74 6.980 6.128 0.611 1.00 0.00 C ATOM 1137 CE2 TYR A 74 4.672 6.465 1.251 1.00 0.00 C ATOM 1138 CZ TYR A 74 6.018 6.367 1.596 1.00 0.00 C ATOM 1139 OH TYR A 74 6.398 6.501 2.910 1.00 0.00 O ATOM 0 H TYR A 74 3.817 5.157 -4.626 1.00 0.00 H new ATOM 0 HA TYR A 74 6.144 4.415 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.302 6.676 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.721 6.147 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.329 5.801 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.233 6.392 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.023 6.054 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.932 6.654 2.015 1.00 0.00 H new ATOM 0 HH TYR A 74 5.607 6.664 3.464 1.00 0.00 H new ATOM 1149 N VAL A 75 3.361 3.184 -1.956 1.00 0.00 N ATOM 1150 CA VAL A 75 2.897 2.193 -0.993 1.00 0.00 C ATOM 1151 C VAL A 75 3.427 0.796 -1.302 1.00 0.00 C ATOM 1152 O VAL A 75 3.821 0.063 -0.393 1.00 0.00 O ATOM 1153 CB VAL A 75 1.363 2.163 -0.888 1.00 0.00 C ATOM 1154 CG1 VAL A 75 0.859 3.463 -0.266 1.00 0.00 C ATOM 1155 CG2 VAL A 75 0.743 1.990 -2.270 1.00 0.00 C ATOM 0 H VAL A 75 2.627 3.637 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 75 3.300 2.503 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 75 1.074 1.322 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.228 3.435 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.285 3.579 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.160 4.305 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.343 1.970 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.040 2.822 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.088 1.054 -2.709 1.00 0.00 H new ATOM 1165 N VAL A 76 3.424 0.409 -2.570 1.00 0.00 N ATOM 1166 CA VAL A 76 3.878 -0.915 -2.928 1.00 0.00 C ATOM 1167 C VAL A 76 5.357 -1.074 -2.602 1.00 0.00 C ATOM 1168 O VAL A 76 5.781 -2.121 -2.105 1.00 0.00 O ATOM 1169 CB VAL A 76 3.571 -1.233 -4.411 1.00 0.00 C ATOM 1170 CG1 VAL A 76 4.307 -0.268 -5.332 1.00 0.00 C ATOM 1171 CG2 VAL A 76 3.998 -2.672 -4.736 1.00 0.00 C ATOM 0 H VAL A 76 3.116 0.987 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 76 3.328 -1.643 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 76 2.498 -1.123 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.077 -0.509 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.990 0.753 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.381 -0.356 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.779 -2.889 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.068 -2.783 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.451 -3.367 -4.099 1.00 0.00 H new ATOM 1181 N LEU A 77 6.128 -0.008 -2.816 1.00 0.00 N ATOM 1182 CA LEU A 77 7.557 -0.054 -2.532 1.00 0.00 C ATOM 1183 C LEU A 77 7.792 -0.341 -1.060 1.00 0.00 C ATOM 1184 O LEU A 77 8.504 -1.285 -0.703 1.00 0.00 O ATOM 1185 CB LEU A 77 8.189 1.309 -2.882 1.00 0.00 C ATOM 1186 CG LEU A 77 9.680 1.326 -2.490 1.00 0.00 C ATOM 1187 CD1 LEU A 77 10.427 0.208 -3.213 1.00 0.00 C ATOM 1188 CD2 LEU A 77 10.301 2.685 -2.849 1.00 0.00 C ATOM 0 H LEU A 77 5.791 0.884 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 77 8.010 -0.845 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.085 1.502 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.660 2.107 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 77 9.762 1.168 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.479 0.230 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.996 -0.755 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.340 0.349 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.354 2.689 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.210 2.855 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.780 3.477 -2.311 1.00 0.00 H new ATOM 1200 N VAL A 78 7.128 0.415 -0.210 1.00 0.00 N ATOM 1201 CA VAL A 78 7.246 0.193 1.213 1.00 0.00 C ATOM 1202 C VAL A 78 6.582 -1.120 1.609 1.00 0.00 C ATOM 1203 O VAL A 78 7.123 -1.894 2.407 1.00 0.00 O ATOM 1204 CB VAL A 78 6.692 1.396 2.010 1.00 0.00 C ATOM 1205 CG1 VAL A 78 7.394 2.688 1.547 1.00 0.00 C ATOM 1206 CG2 VAL A 78 5.191 1.547 1.762 1.00 0.00 C ATOM 0 H VAL A 78 6.508 1.180 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 78 8.303 0.108 1.466 1.00 0.00 H new ATOM 0 HB VAL A 78 6.874 1.224 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.003 3.536 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.467 2.601 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.209 2.841 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.812 2.398 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.012 1.711 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.677 0.641 2.081 1.00 0.00 H new ATOM 1216 N ALA A 79 5.416 -1.380 1.036 1.00 0.00 N ATOM 1217 CA ALA A 79 4.680 -2.596 1.341 1.00 0.00 C ATOM 1218 C ALA A 79 5.463 -3.824 0.938 1.00 0.00 C ATOM 1219 O ALA A 79 5.559 -4.782 1.711 1.00 0.00 O ATOM 1220 CB ALA A 79 3.324 -2.605 0.645 1.00 0.00 C ATOM 0 H ALA A 79 4.961 -0.767 0.360 1.00 0.00 H new ATOM 0 HA ALA A 79 4.524 -2.617 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.795 -3.526 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.738 -1.749 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.468 -2.546 -0.434 1.00 0.00 H new ATOM 1226 N ALA A 80 6.043 -3.793 -0.256 1.00 0.00 N ATOM 1227 CA ALA A 80 6.818 -4.925 -0.730 1.00 0.00 C ATOM 1228 C ALA A 80 7.961 -5.189 0.219 1.00 0.00 C ATOM 1229 O ALA A 80 8.206 -6.328 0.612 1.00 0.00 O ATOM 1230 CB ALA A 80 7.353 -4.659 -2.136 1.00 0.00 C ATOM 0 H ALA A 80 5.991 -3.006 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 80 6.172 -5.802 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.931 -5.519 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.519 -4.492 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.991 -3.776 -2.121 1.00 0.00 H new ATOM 1236 N LEU A 81 8.600 -4.118 0.664 1.00 0.00 N ATOM 1237 CA LEU A 81 9.642 -4.220 1.668 1.00 0.00 C ATOM 1238 C LEU A 81 9.064 -4.730 2.978 1.00 0.00 C ATOM 1239 O LEU A 81 9.670 -5.567 3.660 1.00 0.00 O ATOM 1240 CB LEU A 81 10.326 -2.867 1.876 1.00 0.00 C ATOM 1241 CG LEU A 81 11.119 -2.496 0.618 1.00 0.00 C ATOM 1242 CD1 LEU A 81 11.682 -1.081 0.755 1.00 0.00 C ATOM 1243 CD2 LEU A 81 12.269 -3.482 0.434 1.00 0.00 C ATOM 0 H LEU A 81 8.413 -3.168 0.344 1.00 0.00 H new ATOM 0 HA LEU A 81 10.390 -4.931 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.581 -2.100 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.992 -2.913 2.738 1.00 0.00 H new ATOM 0 HG LEU A 81 10.457 -2.537 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.244 -0.825 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.862 -0.374 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.341 -1.034 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.834 -3.219 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.926 -3.441 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.870 -4.491 0.328 1.00 0.00 H new ATOM 1255 N THR A 82 7.893 -4.226 3.332 1.00 0.00 N ATOM 1256 CA THR A 82 7.269 -4.630 4.571 1.00 0.00 C ATOM 1257 C THR A 82 6.984 -6.137 4.543 1.00 0.00 C ATOM 1258 O THR A 82 7.454 -6.879 5.413 1.00 0.00 O ATOM 1259 CB THR A 82 5.953 -3.854 4.768 1.00 0.00 C ATOM 1260 OG1 THR A 82 6.176 -2.455 4.568 1.00 0.00 O ATOM 1261 CG2 THR A 82 5.417 -4.080 6.187 1.00 0.00 C ATOM 0 H THR A 82 7.365 -3.546 2.785 1.00 0.00 H new ATOM 0 HA THR A 82 7.943 -4.410 5.399 1.00 0.00 H new ATOM 0 HB THR A 82 5.224 -4.215 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.169 -2.257 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.486 -3.527 6.317 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.232 -5.143 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.151 -3.730 6.913 1.00 0.00 H new ATOM 1269 N VAL A 83 6.326 -6.604 3.479 1.00 0.00 N ATOM 1270 CA VAL A 83 6.075 -8.036 3.324 1.00 0.00 C ATOM 1271 C VAL A 83 7.374 -8.799 3.127 1.00 0.00 C ATOM 1272 O VAL A 83 7.554 -9.882 3.687 1.00 0.00 O ATOM 1273 CB VAL A 83 5.020 -8.342 2.214 1.00 0.00 C ATOM 1274 CG1 VAL A 83 5.409 -7.713 0.877 1.00 0.00 C ATOM 1275 CG2 VAL A 83 4.874 -9.852 2.012 1.00 0.00 C ATOM 0 H VAL A 83 5.963 -6.021 2.724 1.00 0.00 H new ATOM 0 HA VAL A 83 5.631 -8.392 4.253 1.00 0.00 H new ATOM 0 HB VAL A 83 4.076 -7.913 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.651 -7.948 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.483 -6.632 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.371 -8.110 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.135 -10.045 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.834 -10.274 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.550 -10.314 2.944 1.00 0.00 H new ATOM 1285 N ALA A 84 8.318 -8.200 2.405 1.00 0.00 N ATOM 1286 CA ALA A 84 9.601 -8.841 2.198 1.00 0.00 C ATOM 1287 C ALA A 84 10.238 -9.197 3.534 1.00 0.00 C ATOM 1288 O ALA A 84 10.640 -10.341 3.750 1.00 0.00 O ATOM 1289 CB ALA A 84 10.546 -7.946 1.384 1.00 0.00 C ATOM 0 H ALA A 84 8.216 -7.287 1.962 1.00 0.00 H new ATOM 0 HA ALA A 84 9.429 -9.756 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.500 -8.455 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.101 -7.738 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.709 -7.009 1.917 1.00 0.00 H new ATOM 1295 N MET A 85 10.311 -8.233 4.443 1.00 0.00 N ATOM 1296 CA MET A 85 10.872 -8.518 5.758 1.00 0.00 C ATOM 1297 C MET A 85 9.881 -9.315 6.601 1.00 0.00 C ATOM 1298 O MET A 85 10.246 -10.294 7.245 1.00 0.00 O ATOM 1299 CB MET A 85 11.234 -7.238 6.497 1.00 0.00 C ATOM 1300 CG MET A 85 12.161 -7.595 7.672 1.00 0.00 C ATOM 1301 SD MET A 85 12.481 -6.130 8.682 1.00 0.00 S ATOM 1302 CE MET A 85 11.214 -6.412 9.942 1.00 0.00 C ATOM 0 H MET A 85 9.998 -7.272 4.301 1.00 0.00 H new ATOM 0 HA MET A 85 11.778 -9.103 5.603 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.730 -6.539 5.823 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.333 -6.744 6.862 1.00 0.00 H new ATOM 0 HG2 MET A 85 11.703 -8.374 8.282 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.101 -7.998 7.294 1.00 0.00 H new ATOM 0 HE1 MET A 85 10.868 -5.454 10.330 1.00 0.00 H new ATOM 0 HE2 MET A 85 10.375 -6.949 9.500 1.00 0.00 H new ATOM 0 HE3 MET A 85 11.635 -7.002 10.756 1.00 0.00 H new ATOM 1312 N ASN A 86 8.620 -8.890 6.607 1.00 0.00 N ATOM 1313 CA ASN A 86 7.608 -9.567 7.425 1.00 0.00 C ATOM 1314 C ASN A 86 7.496 -11.012 7.013 1.00 0.00 C ATOM 1315 O ASN A 86 7.336 -11.897 7.855 1.00 0.00 O ATOM 1316 CB ASN A 86 6.241 -8.861 7.365 1.00 0.00 C ATOM 1317 CG ASN A 86 5.765 -8.510 8.772 1.00 0.00 C ATOM 1318 OD1 ASN A 86 5.244 -9.373 9.484 1.00 0.00 O ATOM 1319 ND2 ASN A 86 5.913 -7.301 9.214 1.00 0.00 N ATOM 0 H ASN A 86 8.275 -8.096 6.067 1.00 0.00 H new ATOM 0 HA ASN A 86 7.933 -9.520 8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.318 -7.956 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.511 -9.507 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.598 -7.059 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.344 -6.591 8.622 1.00 0.00 H new ATOM 1326 N ASN A 87 7.764 -11.265 5.741 1.00 0.00 N ATOM 1327 CA ASN A 87 7.828 -12.621 5.230 1.00 0.00 C ATOM 1328 C ASN A 87 8.806 -13.441 6.053 1.00 0.00 C ATOM 1329 O ASN A 87 8.496 -14.564 6.440 1.00 0.00 O ATOM 1330 CB ASN A 87 8.266 -12.599 3.766 1.00 0.00 C ATOM 1331 CG ASN A 87 8.584 -14.000 3.285 1.00 0.00 C ATOM 1332 OD1 ASN A 87 9.763 -14.364 3.185 1.00 0.00 O ATOM 1333 ND2 ASN A 87 7.619 -14.803 2.978 1.00 0.00 N ATOM 0 H ASN A 87 7.941 -10.543 5.042 1.00 0.00 H new ATOM 0 HA ASN A 87 6.840 -13.077 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.476 -12.168 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.143 -11.962 3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.825 -15.746 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.651 -14.493 3.064 1.00 0.00 H new ATOM 1340 N PHE A 88 9.918 -12.827 6.443 1.00 0.00 N ATOM 1341 CA PHE A 88 10.868 -13.486 7.329 1.00 0.00 C ATOM 1342 C PHE A 88 10.194 -13.854 8.641 1.00 0.00 C ATOM 1343 O PHE A 88 10.291 -14.987 9.096 1.00 0.00 O ATOM 1344 CB PHE A 88 12.111 -12.614 7.578 1.00 0.00 C ATOM 1345 CG PHE A 88 13.014 -13.288 8.598 1.00 0.00 C ATOM 1346 CD1 PHE A 88 13.660 -14.493 8.294 1.00 0.00 C ATOM 1347 CD2 PHE A 88 13.193 -12.705 9.860 1.00 0.00 C ATOM 1348 CE1 PHE A 88 14.481 -15.111 9.256 1.00 0.00 C ATOM 1349 CE2 PHE A 88 14.011 -13.325 10.813 1.00 0.00 C ATOM 1350 CZ PHE A 88 14.656 -14.523 10.511 1.00 0.00 C ATOM 0 H PHE A 88 10.181 -11.882 6.162 1.00 0.00 H new ATOM 0 HA PHE A 88 11.206 -14.399 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.652 -12.460 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.811 -11.630 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.528 -14.947 7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.699 -11.775 10.098 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.977 -16.042 9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.142 -12.873 11.785 1.00 0.00 H new ATOM 0 HZ PHE A 88 15.290 -14.996 11.246 1.00 0.00 H new ATOM 1360 N PHE A 89 9.430 -12.925 9.198 1.00 0.00 N ATOM 1361 CA PHE A 89 8.677 -13.238 10.409 1.00 0.00 C ATOM 1362 C PHE A 89 7.696 -14.369 10.123 1.00 0.00 C ATOM 1363 O PHE A 89 7.506 -15.258 10.948 1.00 0.00 O ATOM 1364 CB PHE A 89 7.898 -12.018 10.938 1.00 0.00 C ATOM 1365 CG PHE A 89 8.824 -11.041 11.633 1.00 0.00 C ATOM 1366 CD1 PHE A 89 9.678 -11.485 12.651 1.00 0.00 C ATOM 1367 CD2 PHE A 89 8.812 -9.691 11.279 1.00 0.00 C ATOM 1368 CE1 PHE A 89 10.519 -10.581 13.305 1.00 0.00 C ATOM 1369 CE2 PHE A 89 9.653 -8.788 11.933 1.00 0.00 C ATOM 1370 CZ PHE A 89 10.506 -9.234 12.945 1.00 0.00 C ATOM 0 H PHE A 89 9.315 -11.975 8.846 1.00 0.00 H new ATOM 0 HA PHE A 89 9.395 -13.537 11.173 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.392 -11.519 10.112 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.125 -12.349 11.632 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.686 -12.528 12.931 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.151 -9.344 10.498 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.178 -10.925 14.088 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.644 -7.744 11.656 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.156 -8.535 13.449 1.00 0.00 H new ATOM 1380 N TRP A 90 7.031 -14.296 8.979 1.00 0.00 N ATOM 1381 CA TRP A 90 6.022 -15.299 8.616 1.00 0.00 C ATOM 1382 C TRP A 90 6.672 -16.624 8.360 1.00 0.00 C ATOM 1383 O TRP A 90 6.234 -17.654 8.868 1.00 0.00 O ATOM 1384 CB TRP A 90 5.271 -14.878 7.352 1.00 0.00 C ATOM 1385 CG TRP A 90 4.825 -13.463 7.460 1.00 0.00 C ATOM 1386 CD1 TRP A 90 4.866 -12.715 8.579 1.00 0.00 C ATOM 1387 CD2 TRP A 90 4.264 -12.613 6.424 1.00 0.00 C ATOM 1388 NE1 TRP A 90 4.380 -11.466 8.294 1.00 0.00 N ATOM 1389 CE2 TRP A 90 3.983 -11.355 6.978 1.00 0.00 C ATOM 1390 CE3 TRP A 90 3.966 -12.823 5.070 1.00 0.00 C ATOM 1391 CZ2 TRP A 90 3.437 -10.331 6.218 1.00 0.00 C ATOM 1392 CZ3 TRP A 90 3.418 -11.788 4.299 1.00 0.00 C ATOM 1393 CH2 TRP A 90 3.143 -10.544 4.877 1.00 0.00 C ATOM 0 H TRP A 90 7.166 -13.560 8.285 1.00 0.00 H new ATOM 0 HA TRP A 90 5.323 -15.381 9.448 1.00 0.00 H new ATOM 0 HB2 TRP A 90 5.916 -14.997 6.482 1.00 0.00 H new ATOM 0 HB3 TRP A 90 4.409 -15.527 7.201 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.223 -13.045 9.543 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.319 -10.708 8.974 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.159 -13.785 4.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.241 -9.369 6.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 3.207 -11.952 3.253 1.00 0.00 H new ATOM 0 HH2 TRP A 90 2.705 -9.754 4.285 1.00 0.00 H new ATOM 1453 N SER B 2 10.271 4.206 11.074 1.00 0.00 N ATOM 1454 CA SER B 2 9.250 5.178 11.431 1.00 0.00 C ATOM 1455 C SER B 2 7.892 4.503 11.640 1.00 0.00 C ATOM 1456 O SER B 2 7.673 3.378 11.188 1.00 0.00 O ATOM 1457 CB SER B 2 9.143 6.226 10.338 1.00 0.00 C ATOM 1458 OG SER B 2 10.292 7.071 10.355 1.00 0.00 O ATOM 0 HA SER B 2 9.539 5.652 12.369 1.00 0.00 H new ATOM 0 HB2 SER B 2 9.053 5.741 9.366 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.242 6.822 10.482 1.00 0.00 H new ATOM 0 HG SER B 2 10.246 7.701 9.606 1.00 0.00 H new ATOM 1464 N GLU B 3 6.953 5.245 12.236 1.00 0.00 N ATOM 1465 CA GLU B 3 5.592 4.756 12.490 1.00 0.00 C ATOM 1466 C GLU B 3 4.994 4.158 11.233 1.00 0.00 C ATOM 1467 O GLU B 3 4.082 3.332 11.297 1.00 0.00 O ATOM 1468 CB GLU B 3 4.686 5.900 12.951 1.00 0.00 C ATOM 1469 CG GLU B 3 5.449 6.819 13.900 1.00 0.00 C ATOM 1470 CD GLU B 3 6.191 7.876 13.098 1.00 0.00 C ATOM 1471 OE1 GLU B 3 5.595 8.882 12.783 1.00 0.00 O ATOM 1472 OE2 GLU B 3 7.345 7.657 12.792 1.00 0.00 O ATOM 0 H GLU B 3 7.114 6.200 12.556 1.00 0.00 H new ATOM 0 HA GLU B 3 5.658 3.995 13.268 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.333 6.466 12.089 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.805 5.498 13.451 1.00 0.00 H new ATOM 0 HG2 GLU B 3 4.758 7.294 14.596 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.153 6.239 14.496 1.00 0.00 H new ATOM 1479 N LEU B 4 5.549 4.534 10.095 1.00 0.00 N ATOM 1480 CA LEU B 4 5.093 4.007 8.839 1.00 0.00 C ATOM 1481 C LEU B 4 5.273 2.514 8.870 1.00 0.00 C ATOM 1482 O LEU B 4 4.368 1.773 8.521 1.00 0.00 O ATOM 1483 CB LEU B 4 5.891 4.597 7.661 1.00 0.00 C ATOM 1484 CG LEU B 4 5.598 6.110 7.461 1.00 0.00 C ATOM 1485 CD1 LEU B 4 4.155 6.469 7.832 1.00 0.00 C ATOM 1486 CD2 LEU B 4 6.558 6.948 8.307 1.00 0.00 C ATOM 0 H LEU B 4 6.316 5.203 10.023 1.00 0.00 H new ATOM 0 HA LEU B 4 4.046 4.273 8.696 1.00 0.00 H new ATOM 0 HB2 LEU B 4 6.957 4.454 7.837 1.00 0.00 H new ATOM 0 HB3 LEU B 4 5.644 4.056 6.748 1.00 0.00 H new ATOM 0 HG LEU B 4 5.742 6.329 6.403 1.00 0.00 H new ATOM 0 HD11 LEU B 4 3.994 7.536 7.677 1.00 0.00 H new ATOM 0 HD12 LEU B 4 3.466 5.903 7.204 1.00 0.00 H new ATOM 0 HD13 LEU B 4 3.977 6.224 8.879 1.00 0.00 H new ATOM 0 HD21 LEU B 4 6.344 8.007 8.159 1.00 0.00 H new ATOM 0 HD22 LEU B 4 6.431 6.695 9.360 1.00 0.00 H new ATOM 0 HD23 LEU B 4 7.585 6.740 8.006 1.00 0.00 H new ATOM 1498 N GLU B 5 6.391 2.066 9.426 1.00 0.00 N ATOM 1499 CA GLU B 5 6.613 0.646 9.567 1.00 0.00 C ATOM 1500 C GLU B 5 5.522 0.042 10.438 1.00 0.00 C ATOM 1501 O GLU B 5 4.889 -0.954 10.065 1.00 0.00 O ATOM 1502 CB GLU B 5 7.984 0.373 10.186 1.00 0.00 C ATOM 1503 CG GLU B 5 9.097 0.790 9.219 1.00 0.00 C ATOM 1504 CD GLU B 5 10.453 0.335 9.762 1.00 0.00 C ATOM 1505 OE1 GLU B 5 10.487 -0.177 10.874 1.00 0.00 O ATOM 1506 OE2 GLU B 5 11.436 0.472 9.062 1.00 0.00 O ATOM 0 H GLU B 5 7.142 2.659 9.779 1.00 0.00 H new ATOM 0 HA GLU B 5 6.584 0.188 8.578 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.083 0.921 11.123 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.078 -0.686 10.425 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.922 0.350 8.237 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.092 1.872 9.089 1.00 0.00 H new ATOM 1513 N THR B 6 5.204 0.727 11.520 1.00 0.00 N ATOM 1514 CA THR B 6 4.113 0.302 12.366 1.00 0.00 C ATOM 1515 C THR B 6 2.811 0.329 11.560 1.00 0.00 C ATOM 1516 O THR B 6 2.045 -0.642 11.565 1.00 0.00 O ATOM 1517 CB THR B 6 4.009 1.218 13.598 1.00 0.00 C ATOM 1518 OG1 THR B 6 5.313 1.422 14.158 1.00 0.00 O ATOM 1519 CG2 THR B 6 3.104 0.562 14.648 1.00 0.00 C ATOM 0 H THR B 6 5.683 1.573 11.829 1.00 0.00 H new ATOM 0 HA THR B 6 4.295 -0.715 12.715 1.00 0.00 H new ATOM 0 HB THR B 6 3.587 2.178 13.299 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.245 2.007 14.941 1.00 0.00 H new ATOM 0 HG21 THR B 6 3.030 1.211 15.521 1.00 0.00 H new ATOM 0 HG22 THR B 6 2.111 0.406 14.226 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.527 -0.398 14.944 1.00 0.00 H new ATOM 1527 N ALA B 7 2.604 1.411 10.813 1.00 0.00 N ATOM 1528 CA ALA B 7 1.434 1.538 9.966 1.00 0.00 C ATOM 1529 C ALA B 7 1.412 0.438 8.918 1.00 0.00 C ATOM 1530 O ALA B 7 0.387 -0.223 8.725 1.00 0.00 O ATOM 1531 CB ALA B 7 1.417 2.917 9.281 1.00 0.00 C ATOM 0 H ALA B 7 3.236 2.211 10.781 1.00 0.00 H new ATOM 0 HA ALA B 7 0.546 1.443 10.591 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.533 2.998 8.648 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.394 3.700 10.039 1.00 0.00 H new ATOM 0 HB3 ALA B 7 2.312 3.031 8.670 1.00 0.00 H new ATOM 1537 N MET B 8 2.561 0.179 8.304 1.00 0.00 N ATOM 1538 CA MET B 8 2.649 -0.893 7.327 1.00 0.00 C ATOM 1539 C MET B 8 2.380 -2.231 7.983 1.00 0.00 C ATOM 1540 O MET B 8 1.596 -3.033 7.472 1.00 0.00 O ATOM 1541 CB MET B 8 4.014 -0.912 6.622 1.00 0.00 C ATOM 1542 CG MET B 8 4.230 0.392 5.850 1.00 0.00 C ATOM 1543 SD MET B 8 2.880 0.628 4.670 1.00 0.00 S ATOM 1544 CE MET B 8 3.214 -0.797 3.618 1.00 0.00 C ATOM 0 H MET B 8 3.430 0.689 8.463 1.00 0.00 H new ATOM 0 HA MET B 8 1.887 -0.708 6.570 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.809 -1.044 7.356 1.00 0.00 H new ATOM 0 HB3 MET B 8 4.067 -1.760 5.939 1.00 0.00 H new ATOM 0 HG2 MET B 8 4.273 1.233 6.542 1.00 0.00 H new ATOM 0 HG3 MET B 8 5.185 0.362 5.325 1.00 0.00 H new ATOM 0 HE1 MET B 8 2.895 -0.580 2.599 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.283 -1.012 3.625 1.00 0.00 H new ATOM 0 HE3 MET B 8 2.667 -1.662 3.993 1.00 0.00 H new ATOM 1554 N GLU B 9 2.937 -2.447 9.164 1.00 0.00 N ATOM 1555 CA GLU B 9 2.628 -3.664 9.873 1.00 0.00 C ATOM 1556 C GLU B 9 1.189 -3.693 10.341 1.00 0.00 C ATOM 1557 O GLU B 9 0.568 -4.753 10.388 1.00 0.00 O ATOM 1558 CB GLU B 9 3.616 -4.018 10.979 1.00 0.00 C ATOM 1559 CG GLU B 9 4.956 -4.404 10.335 1.00 0.00 C ATOM 1560 CD GLU B 9 5.824 -5.111 11.339 1.00 0.00 C ATOM 1561 OE1 GLU B 9 5.528 -6.247 11.636 1.00 0.00 O ATOM 1562 OE2 GLU B 9 6.769 -4.534 11.792 1.00 0.00 O ATOM 0 H GLU B 9 3.584 -1.814 9.635 1.00 0.00 H new ATOM 0 HA GLU B 9 2.747 -4.463 9.141 1.00 0.00 H new ATOM 0 HB2 GLU B 9 3.750 -3.171 11.652 1.00 0.00 H new ATOM 0 HB3 GLU B 9 3.233 -4.844 11.578 1.00 0.00 H new ATOM 0 HG2 GLU B 9 4.783 -5.049 9.474 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.463 -3.512 9.968 1.00 0.00 H new ATOM 1569 N THR B 10 0.619 -2.523 10.565 1.00 0.00 N ATOM 1570 CA THR B 10 -0.791 -2.454 10.893 1.00 0.00 C ATOM 1571 C THR B 10 -1.569 -3.106 9.755 1.00 0.00 C ATOM 1572 O THR B 10 -2.414 -3.980 9.987 1.00 0.00 O ATOM 1573 CB THR B 10 -1.238 -0.993 11.087 1.00 0.00 C ATOM 1574 OG1 THR B 10 -0.308 -0.308 11.921 1.00 0.00 O ATOM 1575 CG2 THR B 10 -2.616 -0.961 11.752 1.00 0.00 C ATOM 0 H THR B 10 1.100 -1.624 10.527 1.00 0.00 H new ATOM 0 HA THR B 10 -0.982 -2.978 11.830 1.00 0.00 H new ATOM 0 HB THR B 10 -1.284 -0.506 10.113 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.472 -0.880 12.080 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.930 0.074 11.888 1.00 0.00 H new ATOM 0 HG22 THR B 10 -3.337 -1.479 11.120 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.563 -1.455 12.722 1.00 0.00 H new ATOM 1583 N LEU B 11 -1.168 -2.797 8.527 1.00 0.00 N ATOM 1584 CA LEU B 11 -1.740 -3.441 7.348 1.00 0.00 C ATOM 1585 C LEU B 11 -1.417 -4.941 7.401 1.00 0.00 C ATOM 1586 O LEU B 11 -2.244 -5.784 7.053 1.00 0.00 O ATOM 1587 CB LEU B 11 -1.123 -2.849 6.069 1.00 0.00 C ATOM 1588 CG LEU B 11 -1.459 -1.350 5.937 1.00 0.00 C ATOM 1589 CD1 LEU B 11 -0.740 -0.767 4.720 1.00 0.00 C ATOM 1590 CD2 LEU B 11 -2.954 -1.158 5.767 1.00 0.00 C ATOM 0 H LEU B 11 -0.448 -2.104 8.321 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.818 -3.279 7.337 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.041 -2.983 6.087 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.496 -3.387 5.198 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.132 -0.839 6.842 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.979 0.293 4.629 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.337 -0.887 4.842 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.064 -1.291 3.821 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.176 -0.095 5.675 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.288 -1.677 4.869 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.474 -1.564 6.635 1.00 0.00 H new ATOM 1602 N ILE B 12 -0.195 -5.263 7.820 1.00 0.00 N ATOM 1603 CA ILE B 12 0.237 -6.661 7.904 1.00 0.00 C ATOM 1604 C ILE B 12 -0.632 -7.396 8.928 1.00 0.00 C ATOM 1605 O ILE B 12 -1.022 -8.554 8.722 1.00 0.00 O ATOM 1606 CB ILE B 12 1.723 -6.727 8.357 1.00 0.00 C ATOM 1607 CG1 ILE B 12 2.653 -6.129 7.284 1.00 0.00 C ATOM 1608 CG2 ILE B 12 2.135 -8.180 8.616 1.00 0.00 C ATOM 1609 CD1 ILE B 12 2.742 -7.050 6.063 1.00 0.00 C ATOM 0 H ILE B 12 0.510 -4.583 8.105 1.00 0.00 H new ATOM 0 HA ILE B 12 0.136 -7.129 6.925 1.00 0.00 H new ATOM 0 HB ILE B 12 1.816 -6.147 9.275 1.00 0.00 H new ATOM 0 HG12 ILE B 12 2.282 -5.150 6.980 1.00 0.00 H new ATOM 0 HG13 ILE B 12 3.648 -5.977 7.703 1.00 0.00 H new ATOM 0 HG21 ILE B 12 3.178 -8.212 8.932 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.505 -8.603 9.399 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.016 -8.761 7.701 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.404 -6.606 5.320 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.136 -8.020 6.367 1.00 0.00 H new ATOM 0 HD13 ILE B 12 1.749 -7.180 5.632 1.00 0.00 H new ATOM 1621 N ASN B 13 -0.864 -6.744 10.061 1.00 0.00 N ATOM 1622 CA ASN B 13 -1.594 -7.358 11.162 1.00 0.00 C ATOM 1623 C ASN B 13 -2.995 -7.711 10.738 1.00 0.00 C ATOM 1624 O ASN B 13 -3.453 -8.840 10.952 1.00 0.00 O ATOM 1625 CB ASN B 13 -1.665 -6.395 12.346 1.00 0.00 C ATOM 1626 CG ASN B 13 -0.353 -6.396 13.100 1.00 0.00 C ATOM 1627 OD1 ASN B 13 -0.109 -7.276 13.927 1.00 0.00 O ATOM 1628 ND2 ASN B 13 0.514 -5.473 12.863 1.00 0.00 N ATOM 0 H ASN B 13 -0.556 -5.788 10.241 1.00 0.00 H new ATOM 0 HA ASN B 13 -1.066 -8.266 11.453 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -1.889 -5.388 11.993 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -2.476 -6.686 13.013 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.404 -5.470 13.360 1.00 0.00 H new ATOM 0 HD22 ASN B 13 0.310 -4.745 12.178 1.00 0.00 H new ATOM 1635 N VAL B 14 -3.648 -6.797 10.049 1.00 0.00 N ATOM 1636 CA VAL B 14 -4.954 -7.073 9.514 1.00 0.00 C ATOM 1637 C VAL B 14 -4.858 -8.146 8.439 1.00 0.00 C ATOM 1638 O VAL B 14 -5.677 -9.066 8.380 1.00 0.00 O ATOM 1639 CB VAL B 14 -5.642 -5.793 8.994 1.00 0.00 C ATOM 1640 CG1 VAL B 14 -5.940 -4.847 10.160 1.00 0.00 C ATOM 1641 CG2 VAL B 14 -4.753 -5.071 7.975 1.00 0.00 C ATOM 0 H VAL B 14 -3.292 -5.862 9.850 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.584 -7.452 10.319 1.00 0.00 H new ATOM 0 HB VAL B 14 -6.573 -6.084 8.508 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -6.425 -3.947 9.783 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -6.599 -5.344 10.872 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -5.008 -4.576 10.656 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -5.259 -4.172 7.623 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -3.810 -4.795 8.446 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -4.557 -5.732 7.130 1.00 0.00 H new ATOM 1651 N PHE B 15 -3.800 -8.054 7.639 1.00 0.00 N ATOM 1652 CA PHE B 15 -3.566 -9.029 6.590 1.00 0.00 C ATOM 1653 C PHE B 15 -3.442 -10.434 7.192 1.00 0.00 C ATOM 1654 O PHE B 15 -4.187 -11.338 6.814 1.00 0.00 O ATOM 1655 CB PHE B 15 -2.278 -8.664 5.841 1.00 0.00 C ATOM 1656 CG PHE B 15 -2.063 -9.625 4.701 1.00 0.00 C ATOM 1657 CD1 PHE B 15 -2.725 -9.424 3.479 1.00 0.00 C ATOM 1658 CD2 PHE B 15 -1.201 -10.717 4.859 1.00 0.00 C ATOM 1659 CE1 PHE B 15 -2.523 -10.312 2.426 1.00 0.00 C ATOM 1660 CE2 PHE B 15 -1.005 -11.601 3.803 1.00 0.00 C ATOM 1661 CZ PHE B 15 -1.663 -11.399 2.589 1.00 0.00 C ATOM 0 H PHE B 15 -3.097 -7.317 7.700 1.00 0.00 H new ATOM 0 HA PHE B 15 -4.406 -9.022 5.896 1.00 0.00 H new ATOM 0 HB2 PHE B 15 -2.343 -7.644 5.462 1.00 0.00 H new ATOM 0 HB3 PHE B 15 -1.428 -8.697 6.522 1.00 0.00 H new ATOM 0 HD1 PHE B 15 -3.390 -8.582 3.356 1.00 0.00 H new ATOM 0 HD2 PHE B 15 -0.690 -10.872 5.798 1.00 0.00 H new ATOM 0 HE1 PHE B 15 -3.031 -10.160 1.485 1.00 0.00 H new ATOM 0 HE2 PHE B 15 -0.342 -12.445 3.923 1.00 0.00 H new ATOM 0 HZ PHE B 15 -1.506 -12.087 1.772 1.00 0.00 H new ATOM 1671 N HIS B 16 -2.621 -10.573 8.235 1.00 0.00 N ATOM 1672 CA HIS B 16 -2.505 -11.848 8.952 1.00 0.00 C ATOM 1673 C HIS B 16 -3.785 -12.228 9.633 1.00 0.00 C ATOM 1674 O HIS B 16 -4.181 -13.397 9.614 1.00 0.00 O ATOM 1675 CB HIS B 16 -1.364 -11.833 9.966 1.00 0.00 C ATOM 1676 CG HIS B 16 -0.117 -12.389 9.346 1.00 0.00 C ATOM 1677 ND1 HIS B 16 0.071 -13.755 9.191 1.00 0.00 N ATOM 1678 CD2 HIS B 16 1.010 -11.797 8.855 1.00 0.00 C ATOM 1679 CE1 HIS B 16 1.279 -13.936 8.631 1.00 0.00 C ATOM 1680 NE2 HIS B 16 1.893 -12.774 8.407 1.00 0.00 N ATOM 0 H HIS B 16 -2.030 -9.826 8.601 1.00 0.00 H new ATOM 0 HA HIS B 16 -2.282 -12.600 8.195 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -1.186 -10.814 10.309 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -1.638 -12.421 10.842 1.00 0.00 H new ATOM 0 HD2 HIS B 16 1.189 -10.733 8.820 1.00 0.00 H new ATOM 0 HE1 HIS B 16 1.700 -14.902 8.392 1.00 0.00 H new ATOM 0 HE2 HIS B 16 2.815 -12.632 7.995 1.00 0.00 H new ATOM 1689 N ALA B 17 -4.447 -11.252 10.226 1.00 0.00 N ATOM 1690 CA ALA B 17 -5.697 -11.531 10.898 1.00 0.00 C ATOM 1691 C ALA B 17 -6.616 -12.248 9.931 1.00 0.00 C ATOM 1692 O ALA B 17 -7.157 -13.316 10.235 1.00 0.00 O ATOM 1693 CB ALA B 17 -6.357 -10.232 11.367 1.00 0.00 C ATOM 0 H ALA B 17 -4.146 -10.278 10.255 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.506 -12.154 11.772 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -7.296 -10.462 11.870 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.692 -9.715 12.059 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -6.554 -9.593 10.506 1.00 0.00 H new ATOM 1699 N HIS B 18 -6.745 -11.683 8.750 1.00 0.00 N ATOM 1700 CA HIS B 18 -7.556 -12.281 7.709 1.00 0.00 C ATOM 1701 C HIS B 18 -6.912 -13.541 7.120 1.00 0.00 C ATOM 1702 O HIS B 18 -7.608 -14.517 6.857 1.00 0.00 O ATOM 1703 CB HIS B 18 -7.893 -11.259 6.633 1.00 0.00 C ATOM 1704 CG HIS B 18 -8.797 -10.212 7.237 1.00 0.00 C ATOM 1705 ND1 HIS B 18 -10.136 -10.455 7.506 1.00 0.00 N ATOM 1706 CD2 HIS B 18 -8.558 -8.934 7.670 1.00 0.00 C ATOM 1707 CE1 HIS B 18 -10.634 -9.348 8.079 1.00 0.00 C ATOM 1708 NE2 HIS B 18 -9.716 -8.392 8.205 1.00 0.00 N ATOM 0 H HIS B 18 -6.297 -10.806 8.485 1.00 0.00 H new ATOM 0 HA HIS B 18 -8.490 -12.604 8.168 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -6.983 -10.798 6.249 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -8.385 -11.744 5.790 1.00 0.00 H new ATOM 0 HD1 HIS B 18 -10.647 -11.315 7.306 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -7.608 -8.425 7.604 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -11.660 -9.245 8.400 1.00 0.00 H new ATOM 1717 N SER B 19 -5.576 -13.558 6.991 1.00 0.00 N ATOM 1718 CA SER B 19 -4.881 -14.751 6.469 1.00 0.00 C ATOM 1719 C SER B 19 -5.292 -15.992 7.252 1.00 0.00 C ATOM 1720 O SER B 19 -5.468 -17.084 6.685 1.00 0.00 O ATOM 1721 CB SER B 19 -3.354 -14.577 6.543 1.00 0.00 C ATOM 1722 OG SER B 19 -2.943 -13.474 5.737 1.00 0.00 O ATOM 0 H SER B 19 -4.964 -12.779 7.234 1.00 0.00 H new ATOM 0 HA SER B 19 -5.168 -14.873 5.425 1.00 0.00 H new ATOM 0 HB2 SER B 19 -3.049 -14.415 7.577 1.00 0.00 H new ATOM 0 HB3 SER B 19 -2.860 -15.488 6.204 1.00 0.00 H new ATOM 0 HG SER B 19 -3.618 -13.303 5.047 1.00 0.00 H new ATOM 1728 N GLY B 20 -5.468 -15.815 8.545 1.00 0.00 N ATOM 1729 CA GLY B 20 -5.875 -16.897 9.409 1.00 0.00 C ATOM 1730 C GLY B 20 -7.207 -17.486 8.965 1.00 0.00 C ATOM 1731 O GLY B 20 -7.522 -18.636 9.289 1.00 0.00 O ATOM 0 H GLY B 20 -5.334 -14.923 9.021 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.112 -17.675 9.406 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.958 -16.536 10.434 1.00 0.00 H new ATOM 1735 N LYS B 21 -8.020 -16.681 8.290 1.00 0.00 N ATOM 1736 CA LYS B 21 -9.348 -17.126 7.877 1.00 0.00 C ATOM 1737 C LYS B 21 -9.240 -18.231 6.841 1.00 0.00 C ATOM 1738 O LYS B 21 -9.890 -19.280 6.964 1.00 0.00 O ATOM 1739 CB LYS B 21 -10.128 -15.954 7.271 1.00 0.00 C ATOM 1740 CG LYS B 21 -10.264 -14.820 8.297 1.00 0.00 C ATOM 1741 CD LYS B 21 -11.130 -15.247 9.477 1.00 0.00 C ATOM 1742 CE LYS B 21 -11.258 -14.065 10.440 1.00 0.00 C ATOM 1743 NZ LYS B 21 -12.142 -13.018 9.842 1.00 0.00 N ATOM 0 H LYS B 21 -7.787 -15.726 8.019 1.00 0.00 H new ATOM 0 HA LYS B 21 -9.870 -17.504 8.756 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -9.616 -15.589 6.380 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -11.116 -16.290 6.956 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -9.276 -14.528 8.654 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -10.702 -13.944 7.819 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -12.114 -15.561 9.130 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -10.683 -16.102 9.984 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -11.670 -14.402 11.391 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -10.274 -13.647 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -12.377 -12.308 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -11.648 -12.557 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -13.017 -13.460 9.493 1.00 0.00 H new ATOM 1757 N GLU B 22 -8.392 -18.017 5.841 1.00 0.00 N ATOM 1758 CA GLU B 22 -8.186 -19.014 4.802 1.00 0.00 C ATOM 1759 C GLU B 22 -7.079 -19.986 5.201 1.00 0.00 C ATOM 1760 O GLU B 22 -7.221 -21.206 5.044 1.00 0.00 O ATOM 1761 CB GLU B 22 -7.892 -18.340 3.456 1.00 0.00 C ATOM 1762 CG GLU B 22 -6.536 -17.631 3.508 1.00 0.00 C ATOM 1763 CD GLU B 22 -6.604 -16.360 2.708 1.00 0.00 C ATOM 1764 OE1 GLU B 22 -7.198 -15.414 3.191 1.00 0.00 O ATOM 1765 OE2 GLU B 22 -6.086 -16.356 1.610 1.00 0.00 O ATOM 0 H GLU B 22 -7.840 -17.167 5.730 1.00 0.00 H new ATOM 0 HA GLU B 22 -9.103 -19.591 4.686 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.892 -19.085 2.660 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.678 -17.622 3.221 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.269 -17.409 4.541 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.758 -18.282 3.111 1.00 0.00 H new ATOM 1772 N GLY B 23 -6.044 -19.460 5.846 1.00 0.00 N ATOM 1773 CA GLY B 23 -4.975 -20.291 6.404 1.00 0.00 C ATOM 1774 C GLY B 23 -3.951 -20.744 5.363 1.00 0.00 C ATOM 1775 O GLY B 23 -3.216 -21.711 5.598 1.00 0.00 O ATOM 0 H GLY B 23 -5.919 -18.459 5.998 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.463 -19.733 7.188 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.416 -21.169 6.875 1.00 0.00 H new ATOM 1779 N ASP B 24 -3.845 -20.032 4.240 1.00 0.00 N ATOM 1780 CA ASP B 24 -2.831 -20.397 3.245 1.00 0.00 C ATOM 1781 C ASP B 24 -1.470 -20.328 3.902 1.00 0.00 C ATOM 1782 O ASP B 24 -0.726 -21.297 3.916 1.00 0.00 O ATOM 1783 CB ASP B 24 -2.864 -19.448 2.041 1.00 0.00 C ATOM 1784 CG ASP B 24 -1.845 -19.883 0.991 1.00 0.00 C ATOM 1785 OD1 ASP B 24 -1.985 -20.963 0.469 1.00 0.00 O ATOM 1786 OD2 ASP B 24 -0.941 -19.122 0.709 1.00 0.00 O ATOM 0 H ASP B 24 -4.425 -19.228 4.000 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.037 -21.405 2.884 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.863 -19.438 1.605 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -2.648 -18.430 2.366 1.00 0.00 H new ATOM 1791 N LYS B 25 -1.248 -19.224 4.597 1.00 0.00 N ATOM 1792 CA LYS B 25 -0.080 -18.983 5.450 1.00 0.00 C ATOM 1793 C LYS B 25 0.069 -17.501 5.683 1.00 0.00 C ATOM 1794 O LYS B 25 -0.363 -16.982 6.718 1.00 0.00 O ATOM 1795 CB LYS B 25 1.224 -19.605 4.892 1.00 0.00 C ATOM 1796 CG LYS B 25 1.468 -19.221 3.416 1.00 0.00 C ATOM 1797 CD LYS B 25 2.195 -20.378 2.705 1.00 0.00 C ATOM 1798 CE LYS B 25 3.123 -19.829 1.604 1.00 0.00 C ATOM 1799 NZ LYS B 25 4.539 -20.177 1.922 1.00 0.00 N ATOM 0 H LYS B 25 -1.897 -18.437 4.587 1.00 0.00 H new ATOM 0 HA LYS B 25 -0.254 -19.487 6.401 1.00 0.00 H new ATOM 0 HB2 LYS B 25 2.069 -19.275 5.496 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.174 -20.690 4.980 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.520 -19.012 2.921 1.00 0.00 H new ATOM 0 HG3 LYS B 25 2.065 -18.311 3.358 1.00 0.00 H new ATOM 0 HD2 LYS B 25 2.776 -20.951 3.428 1.00 0.00 H new ATOM 0 HD3 LYS B 25 1.466 -21.061 2.269 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.844 -20.247 0.637 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.012 -18.747 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.045 -19.323 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.560 -20.888 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 5.001 -20.563 1.074 1.00 0.00 H new ATOM 1813 N TYR B 26 0.390 -16.809 4.619 1.00 0.00 N ATOM 1814 CA TYR B 26 0.294 -15.374 4.571 1.00 0.00 C ATOM 1815 C TYR B 26 -0.415 -15.005 3.302 1.00 0.00 C ATOM 1816 O TYR B 26 0.184 -14.967 2.229 1.00 0.00 O ATOM 1817 CB TYR B 26 1.667 -14.705 4.639 1.00 0.00 C ATOM 1818 CG TYR B 26 2.722 -15.619 4.079 1.00 0.00 C ATOM 1819 CD1 TYR B 26 3.298 -16.582 4.899 1.00 0.00 C ATOM 1820 CD2 TYR B 26 3.122 -15.507 2.742 1.00 0.00 C ATOM 1821 CE1 TYR B 26 4.274 -17.441 4.395 1.00 0.00 C ATOM 1822 CE2 TYR B 26 4.099 -16.361 2.233 1.00 0.00 C ATOM 1823 CZ TYR B 26 4.676 -17.329 3.061 1.00 0.00 C ATOM 1824 OH TYR B 26 5.632 -18.189 2.556 1.00 0.00 O ATOM 0 H TYR B 26 0.728 -17.231 3.754 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.262 -15.020 5.439 1.00 0.00 H new ATOM 0 HB2 TYR B 26 1.652 -13.770 4.079 1.00 0.00 H new ATOM 0 HB3 TYR B 26 1.906 -14.453 5.672 1.00 0.00 H new ATOM 0 HD1 TYR B 26 2.989 -16.665 5.930 1.00 0.00 H new ATOM 0 HD2 TYR B 26 2.674 -14.759 2.105 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.718 -18.191 5.033 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.409 -16.275 1.202 1.00 0.00 H new ATOM 0 HH TYR B 26 6.090 -18.640 3.296 1.00 0.00 H new ATOM 1834 N LYS B 27 -1.699 -14.830 3.418 1.00 0.00 N ATOM 1835 CA LYS B 27 -2.548 -14.564 2.291 1.00 0.00 C ATOM 1836 C LYS B 27 -3.737 -13.816 2.713 1.00 0.00 C ATOM 1837 O LYS B 27 -4.225 -14.006 3.814 1.00 0.00 O ATOM 1838 CB LYS B 27 -3.030 -15.853 1.644 1.00 0.00 C ATOM 1839 CG LYS B 27 -1.926 -16.483 0.822 1.00 0.00 C ATOM 1840 CD LYS B 27 -1.476 -15.485 -0.247 1.00 0.00 C ATOM 1841 CE LYS B 27 -0.900 -16.212 -1.468 1.00 0.00 C ATOM 1842 NZ LYS B 27 -1.140 -17.683 -1.368 1.00 0.00 N ATOM 0 H LYS B 27 -2.194 -14.868 4.309 1.00 0.00 H new ATOM 0 HA LYS B 27 -1.957 -13.988 1.578 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -3.361 -16.551 2.413 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -3.891 -15.647 1.009 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -1.087 -16.754 1.462 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -2.281 -17.402 0.355 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -2.321 -14.867 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -0.725 -14.814 0.170 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -1.358 -15.825 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS B 27 0.170 -16.017 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.670 -18.166 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.755 -18.037 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -2.162 -17.871 -1.405 1.00 0.00 H new ATOM 1856 N LEU B 28 -4.330 -13.159 1.778 1.00 0.00 N ATOM 1857 CA LEU B 28 -5.619 -12.638 1.989 1.00 0.00 C ATOM 1858 C LEU B 28 -6.524 -13.142 0.887 1.00 0.00 C ATOM 1859 O LEU B 28 -6.263 -12.923 -0.295 1.00 0.00 O ATOM 1860 CB LEU B 28 -5.566 -11.123 2.027 1.00 0.00 C ATOM 1861 CG LEU B 28 -6.973 -10.558 2.148 1.00 0.00 C ATOM 1862 CD1 LEU B 28 -7.545 -10.879 3.517 1.00 0.00 C ATOM 1863 CD2 LEU B 28 -6.924 -9.049 1.971 1.00 0.00 C ATOM 0 H LEU B 28 -3.933 -12.973 0.857 1.00 0.00 H new ATOM 0 HA LEU B 28 -6.016 -12.970 2.948 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -4.959 -10.793 2.870 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -5.089 -10.744 1.123 1.00 0.00 H new ATOM 0 HG LEU B 28 -7.605 -11.004 1.380 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -8.553 -10.471 3.595 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -7.580 -11.960 3.652 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -6.914 -10.437 4.288 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -7.931 -8.640 2.057 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -6.288 -8.613 2.741 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.518 -8.811 0.988 1.00 0.00 H new ATOM 1875 N SER B 29 -7.516 -13.891 1.258 1.00 0.00 N ATOM 1876 CA SER B 29 -8.414 -14.458 0.295 1.00 0.00 C ATOM 1877 C SER B 29 -9.465 -13.451 -0.101 1.00 0.00 C ATOM 1878 O SER B 29 -9.655 -12.430 0.574 1.00 0.00 O ATOM 1879 CB SER B 29 -9.031 -15.758 0.820 1.00 0.00 C ATOM 1880 OG SER B 29 -9.496 -15.567 2.161 1.00 0.00 O ATOM 0 H SER B 29 -7.727 -14.126 2.228 1.00 0.00 H new ATOM 0 HA SER B 29 -7.850 -14.714 -0.602 1.00 0.00 H new ATOM 0 HB2 SER B 29 -9.858 -16.064 0.179 1.00 0.00 H new ATOM 0 HB3 SER B 29 -8.292 -16.559 0.792 1.00 0.00 H new ATOM 0 HG SER B 29 -8.729 -15.496 2.766 1.00 0.00 H new ATOM 1886 N LYS B 30 -10.151 -13.722 -1.189 1.00 0.00 N ATOM 1887 CA LYS B 30 -11.178 -12.811 -1.644 1.00 0.00 C ATOM 1888 C LYS B 30 -12.376 -12.872 -0.721 1.00 0.00 C ATOM 1889 O LYS B 30 -13.279 -12.030 -0.802 1.00 0.00 O ATOM 1890 CB LYS B 30 -11.577 -13.115 -3.091 1.00 0.00 C ATOM 1891 CG LYS B 30 -10.311 -13.308 -3.961 1.00 0.00 C ATOM 1892 CD LYS B 30 -9.292 -12.171 -3.712 1.00 0.00 C ATOM 1893 CE LYS B 30 -9.807 -10.867 -4.329 1.00 0.00 C ATOM 1894 NZ LYS B 30 -10.226 -11.104 -5.733 1.00 0.00 N ATOM 0 H LYS B 30 -10.020 -14.552 -1.767 1.00 0.00 H new ATOM 0 HA LYS B 30 -10.779 -11.797 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -12.192 -14.014 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -12.181 -12.300 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.852 -14.270 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.589 -13.329 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.134 -12.040 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.327 -12.433 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -10.648 -10.487 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.027 -10.106 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.688 -10.479 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.042 -12.096 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.242 -10.904 -5.831 1.00 0.00 H new ATOM 1908 N LYS B 31 -12.331 -13.801 0.229 1.00 0.00 N ATOM 1909 CA LYS B 31 -13.369 -13.926 1.228 1.00 0.00 C ATOM 1910 C LYS B 31 -13.345 -12.673 2.088 1.00 0.00 C ATOM 1911 O LYS B 31 -14.203 -11.815 1.990 1.00 0.00 O ATOM 1912 CB LYS B 31 -13.072 -15.134 2.157 1.00 0.00 C ATOM 1913 CG LYS B 31 -12.590 -16.346 1.361 1.00 0.00 C ATOM 1914 CD LYS B 31 -12.109 -17.425 2.335 1.00 0.00 C ATOM 1915 CE LYS B 31 -11.435 -18.556 1.556 1.00 0.00 C ATOM 1916 NZ LYS B 31 -12.458 -19.436 0.944 1.00 0.00 N ATOM 0 H LYS B 31 -11.576 -14.481 0.322 1.00 0.00 H new ATOM 0 HA LYS B 31 -14.331 -14.064 0.735 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.315 -14.854 2.890 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -13.972 -15.397 2.713 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.397 -16.733 0.740 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -11.781 -16.058 0.690 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -11.409 -16.996 3.052 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -12.951 -17.815 2.906 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -10.792 -18.140 0.781 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -10.797 -19.137 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -11.988 -20.200 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -13.055 -19.846 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -13.050 -18.880 0.294 1.00 0.00 H new ATOM 1930 N GLU B 32 -12.299 -12.575 2.888 1.00 0.00 N ATOM 1931 CA GLU B 32 -12.091 -11.489 3.823 1.00 0.00 C ATOM 1932 C GLU B 32 -11.781 -10.183 3.106 1.00 0.00 C ATOM 1933 O GLU B 32 -12.084 -9.103 3.609 1.00 0.00 O ATOM 1934 CB GLU B 32 -10.918 -11.854 4.733 1.00 0.00 C ATOM 1935 CG GLU B 32 -11.250 -13.118 5.534 1.00 0.00 C ATOM 1936 CD GLU B 32 -12.316 -12.844 6.575 1.00 0.00 C ATOM 1937 OE1 GLU B 32 -12.039 -12.092 7.492 1.00 0.00 O ATOM 1938 OE2 GLU B 32 -13.374 -13.409 6.476 1.00 0.00 O ATOM 0 H GLU B 32 -11.551 -13.269 2.904 1.00 0.00 H new ATOM 0 HA GLU B 32 -13.005 -11.345 4.399 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -10.021 -12.017 4.136 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -10.703 -11.029 5.412 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -11.592 -13.901 4.857 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -10.349 -13.490 6.022 1.00 0.00 H new ATOM 1945 N LEU B 33 -11.054 -10.278 2.003 1.00 0.00 N ATOM 1946 CA LEU B 33 -10.516 -9.087 1.351 1.00 0.00 C ATOM 1947 C LEU B 33 -11.622 -8.120 0.994 1.00 0.00 C ATOM 1948 O LEU B 33 -11.521 -6.923 1.275 1.00 0.00 O ATOM 1949 CB LEU B 33 -9.725 -9.510 0.083 1.00 0.00 C ATOM 1950 CG LEU B 33 -9.238 -8.305 -0.770 1.00 0.00 C ATOM 1951 CD1 LEU B 33 -10.333 -7.875 -1.750 1.00 0.00 C ATOM 1952 CD2 LEU B 33 -8.838 -7.111 0.105 1.00 0.00 C ATOM 0 H LEU B 33 -10.823 -11.158 1.542 1.00 0.00 H new ATOM 0 HA LEU B 33 -9.844 -8.577 2.041 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -8.863 -10.105 0.383 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -10.356 -10.151 -0.533 1.00 0.00 H new ATOM 0 HG LEU B 33 -8.356 -8.632 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -9.980 -7.030 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -10.575 -8.706 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -11.224 -7.582 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -8.504 -6.290 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -9.696 -6.788 0.694 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -8.029 -7.405 0.774 1.00 0.00 H new ATOM 1964 N LYS B 34 -12.686 -8.624 0.414 1.00 0.00 N ATOM 1965 CA LYS B 34 -13.772 -7.754 0.020 1.00 0.00 C ATOM 1966 C LYS B 34 -14.406 -7.131 1.256 1.00 0.00 C ATOM 1967 O LYS B 34 -14.640 -5.921 1.306 1.00 0.00 O ATOM 1968 CB LYS B 34 -14.836 -8.565 -0.694 1.00 0.00 C ATOM 1969 CG LYS B 34 -14.251 -9.237 -1.939 1.00 0.00 C ATOM 1970 CD LYS B 34 -15.354 -9.997 -2.699 1.00 0.00 C ATOM 1971 CE LYS B 34 -16.299 -10.756 -1.733 1.00 0.00 C ATOM 1972 NZ LYS B 34 -15.549 -11.369 -0.587 1.00 0.00 N ATOM 0 H LYS B 34 -12.824 -9.613 0.207 1.00 0.00 H new ATOM 0 HA LYS B 34 -13.380 -6.977 -0.636 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.239 -9.321 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -15.665 -7.918 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.802 -8.487 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.457 -9.926 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.934 -9.294 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.897 -10.704 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -17.053 -10.070 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.828 -11.536 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.949 -12.305 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -14.546 -11.472 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -15.631 -10.756 0.249 1.00 0.00 H new ATOM 1986 N GLU B 35 -14.672 -7.967 2.260 1.00 0.00 N ATOM 1987 CA GLU B 35 -15.314 -7.505 3.475 1.00 0.00 C ATOM 1988 C GLU B 35 -14.400 -6.608 4.295 1.00 0.00 C ATOM 1989 O GLU B 35 -14.814 -5.542 4.762 1.00 0.00 O ATOM 1990 CB GLU B 35 -15.837 -8.683 4.322 1.00 0.00 C ATOM 1991 CG GLU B 35 -17.053 -9.333 3.629 1.00 0.00 C ATOM 1992 CD GLU B 35 -16.628 -10.483 2.740 1.00 0.00 C ATOM 1993 OE1 GLU B 35 -16.552 -11.579 3.237 1.00 0.00 O ATOM 1994 OE2 GLU B 35 -16.410 -10.262 1.563 1.00 0.00 O ATOM 0 H GLU B 35 -14.451 -8.963 2.249 1.00 0.00 H new ATOM 0 HA GLU B 35 -16.172 -6.905 3.170 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -15.048 -9.422 4.458 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -16.119 -8.331 5.314 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -17.755 -9.692 4.382 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -17.578 -8.586 3.035 1.00 0.00 H new ATOM 2001 N LEU B 36 -13.153 -7.016 4.443 1.00 0.00 N ATOM 2002 CA LEU B 36 -12.194 -6.221 5.193 1.00 0.00 C ATOM 2003 C LEU B 36 -11.940 -4.885 4.518 1.00 0.00 C ATOM 2004 O LEU B 36 -11.900 -3.841 5.179 1.00 0.00 O ATOM 2005 CB LEU B 36 -10.885 -7.026 5.447 1.00 0.00 C ATOM 2006 CG LEU B 36 -9.662 -6.398 4.746 1.00 0.00 C ATOM 2007 CD1 LEU B 36 -9.164 -5.179 5.520 1.00 0.00 C ATOM 2008 CD2 LEU B 36 -8.533 -7.431 4.687 1.00 0.00 C ATOM 0 H LEU B 36 -12.781 -7.885 4.058 1.00 0.00 H new ATOM 0 HA LEU B 36 -12.621 -5.996 6.170 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.697 -7.080 6.519 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -11.017 -8.049 5.094 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.956 -6.090 3.743 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.301 -4.751 5.009 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.958 -4.435 5.577 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -8.876 -5.480 6.527 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.665 -6.994 4.193 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.261 -7.731 5.699 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.868 -8.304 4.127 1.00 0.00 H new ATOM 2020 N LEU B 37 -11.781 -4.909 3.204 1.00 0.00 N ATOM 2021 CA LEU B 37 -11.481 -3.690 2.470 1.00 0.00 C ATOM 2022 C LEU B 37 -12.612 -2.684 2.612 1.00 0.00 C ATOM 2023 O LEU B 37 -12.384 -1.535 2.993 1.00 0.00 O ATOM 2024 CB LEU B 37 -11.200 -4.013 0.989 1.00 0.00 C ATOM 2025 CG LEU B 37 -10.941 -2.741 0.151 1.00 0.00 C ATOM 2026 CD1 LEU B 37 -12.261 -2.082 -0.262 1.00 0.00 C ATOM 2027 CD2 LEU B 37 -10.068 -1.738 0.920 1.00 0.00 C ATOM 0 H LEU B 37 -11.854 -5.749 2.629 1.00 0.00 H new ATOM 0 HA LEU B 37 -10.584 -3.239 2.894 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -10.335 -4.673 0.921 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -12.048 -4.555 0.570 1.00 0.00 H new ATOM 0 HG LEU B 37 -10.405 -3.043 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -12.053 -1.189 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -12.846 -2.782 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -12.824 -1.806 0.629 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -9.903 -0.853 0.305 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -10.572 -1.450 1.843 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -9.109 -2.198 1.159 1.00 0.00 H new ATOM 2039 N GLN B 38 -13.839 -3.139 2.425 1.00 0.00 N ATOM 2040 CA GLN B 38 -14.972 -2.250 2.613 1.00 0.00 C ATOM 2041 C GLN B 38 -15.071 -1.837 4.073 1.00 0.00 C ATOM 2042 O GLN B 38 -15.390 -0.694 4.387 1.00 0.00 O ATOM 2043 CB GLN B 38 -16.286 -2.901 2.127 1.00 0.00 C ATOM 2044 CG GLN B 38 -16.622 -4.136 2.969 1.00 0.00 C ATOM 2045 CD GLN B 38 -17.921 -4.765 2.480 1.00 0.00 C ATOM 2046 OE1 GLN B 38 -18.055 -5.077 1.299 1.00 0.00 O ATOM 2047 NE2 GLN B 38 -18.891 -4.972 3.318 1.00 0.00 N ATOM 0 H GLN B 38 -14.073 -4.093 2.150 1.00 0.00 H new ATOM 0 HA GLN B 38 -14.813 -1.357 2.008 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -17.100 -2.179 2.190 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -16.191 -3.184 1.079 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -15.811 -4.861 2.905 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -16.717 -3.856 4.018 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -18.782 -4.714 4.299 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -19.762 -5.393 2.996 1.00 0.00 H new ATOM 2056 N THR B 39 -14.851 -2.799 4.959 1.00 0.00 N ATOM 2057 CA THR B 39 -14.952 -2.563 6.391 1.00 0.00 C ATOM 2058 C THR B 39 -13.892 -1.578 6.903 1.00 0.00 C ATOM 2059 O THR B 39 -14.223 -0.589 7.572 1.00 0.00 O ATOM 2060 CB THR B 39 -14.828 -3.904 7.121 1.00 0.00 C ATOM 2061 OG1 THR B 39 -15.891 -4.761 6.719 1.00 0.00 O ATOM 2062 CG2 THR B 39 -14.870 -3.697 8.637 1.00 0.00 C ATOM 0 H THR B 39 -14.600 -3.755 4.708 1.00 0.00 H new ATOM 0 HA THR B 39 -15.921 -2.107 6.592 1.00 0.00 H new ATOM 0 HB THR B 39 -13.873 -4.360 6.862 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.557 -5.413 6.068 1.00 0.00 H new ATOM 0 HG21 THR B 39 -14.781 -4.661 9.138 1.00 0.00 H new ATOM 0 HG22 THR B 39 -14.044 -3.053 8.939 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.815 -3.230 8.914 1.00 0.00 H new ATOM 2070 N GLU B 40 -12.627 -1.856 6.615 1.00 0.00 N ATOM 2071 CA GLU B 40 -11.543 -1.013 7.099 1.00 0.00 C ATOM 2072 C GLU B 40 -11.538 0.346 6.421 1.00 0.00 C ATOM 2073 O GLU B 40 -11.274 1.360 7.058 1.00 0.00 O ATOM 2074 CB GLU B 40 -10.192 -1.700 6.922 1.00 0.00 C ATOM 2075 CG GLU B 40 -10.064 -2.910 7.876 1.00 0.00 C ATOM 2076 CD GLU B 40 -10.015 -2.467 9.340 1.00 0.00 C ATOM 2077 OE1 GLU B 40 -9.672 -1.331 9.595 1.00 0.00 O ATOM 2078 OE2 GLU B 40 -10.312 -3.280 10.192 1.00 0.00 O ATOM 0 H GLU B 40 -12.328 -2.653 6.053 1.00 0.00 H new ATOM 0 HA GLU B 40 -11.714 -0.853 8.163 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -10.080 -2.031 5.890 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -9.389 -0.990 7.118 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -10.908 -3.583 7.727 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -9.162 -3.471 7.634 1.00 0.00 H new ATOM 2085 N LEU B 41 -11.832 0.365 5.139 1.00 0.00 N ATOM 2086 CA LEU B 41 -11.862 1.618 4.398 1.00 0.00 C ATOM 2087 C LEU B 41 -13.286 2.139 4.301 1.00 0.00 C ATOM 2088 O LEU B 41 -13.695 2.665 3.267 1.00 0.00 O ATOM 2089 CB LEU B 41 -11.248 1.449 2.996 1.00 0.00 C ATOM 2090 CG LEU B 41 -9.711 1.587 3.071 1.00 0.00 C ATOM 2091 CD1 LEU B 41 -9.121 0.424 3.861 1.00 0.00 C ATOM 2092 CD2 LEU B 41 -9.121 1.600 1.657 1.00 0.00 C ATOM 0 H LEU B 41 -12.053 -0.464 4.587 1.00 0.00 H new ATOM 0 HA LEU B 41 -11.260 2.348 4.939 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -11.514 0.474 2.589 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -11.656 2.199 2.319 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.464 2.522 3.573 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -8.037 0.529 3.909 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.531 0.425 4.871 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -9.373 -0.515 3.369 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -8.037 1.698 1.716 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -9.375 0.670 1.148 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.531 2.442 1.099 1.00 0.00 H new ATOM 2104 N SER B 42 -14.056 1.951 5.365 1.00 0.00 N ATOM 2105 CA SER B 42 -15.453 2.348 5.363 1.00 0.00 C ATOM 2106 C SER B 42 -15.608 3.827 5.022 1.00 0.00 C ATOM 2107 O SER B 42 -16.426 4.185 4.161 1.00 0.00 O ATOM 2108 CB SER B 42 -16.098 2.037 6.721 1.00 0.00 C ATOM 2109 OG SER B 42 -16.187 0.620 6.885 1.00 0.00 O ATOM 0 H SER B 42 -13.736 1.528 6.236 1.00 0.00 H new ATOM 0 HA SER B 42 -15.966 1.773 4.592 1.00 0.00 H new ATOM 0 HB2 SER B 42 -15.506 2.472 7.526 1.00 0.00 H new ATOM 0 HB3 SER B 42 -17.090 2.485 6.777 1.00 0.00 H new ATOM 0 HG SER B 42 -15.499 0.320 7.515 1.00 0.00 H new ATOM 2115 N GLY B 43 -14.776 4.664 5.621 1.00 0.00 N ATOM 2116 CA GLY B 43 -14.793 6.092 5.330 1.00 0.00 C ATOM 2117 C GLY B 43 -14.347 6.362 3.902 1.00 0.00 C ATOM 2118 O GLY B 43 -15.037 7.068 3.148 1.00 0.00 O ATOM 0 H GLY B 43 -14.080 4.381 6.311 1.00 0.00 H new ATOM 0 HA2 GLY B 43 -15.798 6.486 5.482 1.00 0.00 H new ATOM 0 HA3 GLY B 43 -14.137 6.616 6.025 1.00 0.00 H new ATOM 2122 N PHE B 44 -13.254 5.734 3.498 1.00 0.00 N ATOM 2123 CA PHE B 44 -12.770 5.869 2.125 1.00 0.00 C ATOM 2124 C PHE B 44 -13.793 5.320 1.159 1.00 0.00 C ATOM 2125 O PHE B 44 -14.099 5.936 0.145 1.00 0.00 O ATOM 2126 CB PHE B 44 -11.421 5.153 1.912 1.00 0.00 C ATOM 2127 CG PHE B 44 -10.216 5.960 2.406 1.00 0.00 C ATOM 2128 CD1 PHE B 44 -10.290 7.345 2.622 1.00 0.00 C ATOM 2129 CD2 PHE B 44 -9.006 5.294 2.626 1.00 0.00 C ATOM 2130 CE1 PHE B 44 -9.164 8.043 3.050 1.00 0.00 C ATOM 2131 CE2 PHE B 44 -7.882 5.996 3.052 1.00 0.00 C ATOM 2132 CZ PHE B 44 -7.961 7.372 3.268 1.00 0.00 C ATOM 0 H PHE B 44 -12.686 5.130 4.092 1.00 0.00 H new ATOM 0 HA PHE B 44 -12.616 6.932 1.939 1.00 0.00 H new ATOM 0 HB2 PHE B 44 -11.442 4.194 2.429 1.00 0.00 H new ATOM 0 HB3 PHE B 44 -11.295 4.940 0.850 1.00 0.00 H new ATOM 0 HD1 PHE B 44 -11.220 7.869 2.456 1.00 0.00 H new ATOM 0 HD2 PHE B 44 -8.943 4.228 2.464 1.00 0.00 H new ATOM 0 HE1 PHE B 44 -9.222 9.109 3.214 1.00 0.00 H new ATOM 0 HE2 PHE B 44 -6.950 5.476 3.215 1.00 0.00 H new ATOM 0 HZ PHE B 44 -7.091 7.917 3.604 1.00 0.00 H new ATOM 2142 N LEU B 45 -14.344 4.183 1.502 1.00 0.00 N ATOM 2143 CA LEU B 45 -15.343 3.558 0.677 1.00 0.00 C ATOM 2144 C LEU B 45 -16.541 4.473 0.515 1.00 0.00 C ATOM 2145 O LEU B 45 -16.984 4.730 -0.607 1.00 0.00 O ATOM 2146 CB LEU B 45 -15.760 2.217 1.323 1.00 0.00 C ATOM 2147 CG LEU B 45 -17.202 1.854 0.948 1.00 0.00 C ATOM 2148 CD1 LEU B 45 -17.375 1.790 -0.568 1.00 0.00 C ATOM 2149 CD2 LEU B 45 -17.574 0.509 1.577 1.00 0.00 C ATOM 0 H LEU B 45 -14.115 3.670 2.353 1.00 0.00 H new ATOM 0 HA LEU B 45 -14.933 3.367 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -15.085 1.426 0.996 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -15.668 2.287 2.407 1.00 0.00 H new ATOM 0 HG LEU B 45 -17.865 2.630 1.331 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -18.407 1.531 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -17.135 2.760 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -16.707 1.033 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -18.599 0.253 1.309 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -16.899 -0.264 1.209 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -17.489 0.579 2.661 1.00 0.00 H new ATOM 2161 N ASP B 46 -17.006 5.026 1.615 1.00 0.00 N ATOM 2162 CA ASP B 46 -18.133 5.941 1.578 1.00 0.00 C ATOM 2163 C ASP B 46 -17.801 7.218 0.833 1.00 0.00 C ATOM 2164 O ASP B 46 -18.670 7.811 0.184 1.00 0.00 O ATOM 2165 CB ASP B 46 -18.615 6.269 2.981 1.00 0.00 C ATOM 2166 CG ASP B 46 -19.931 7.011 2.915 1.00 0.00 C ATOM 2167 OD1 ASP B 46 -20.899 6.426 2.458 1.00 0.00 O ATOM 2168 OD2 ASP B 46 -19.961 8.147 3.298 1.00 0.00 O ATOM 0 H ASP B 46 -16.624 4.860 2.546 1.00 0.00 H new ATOM 0 HA ASP B 46 -18.933 5.435 1.038 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -18.734 5.352 3.557 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -17.871 6.876 3.497 1.00 0.00 H new ATOM 2173 N ALA B 47 -16.589 7.704 1.034 1.00 0.00 N ATOM 2174 CA ALA B 47 -16.173 8.997 0.497 1.00 0.00 C ATOM 2175 C ALA B 47 -16.190 9.041 -1.027 1.00 0.00 C ATOM 2176 O ALA B 47 -16.449 10.101 -1.617 1.00 0.00 O ATOM 2177 CB ALA B 47 -14.779 9.359 0.994 1.00 0.00 C ATOM 0 H ALA B 47 -15.867 7.222 1.569 1.00 0.00 H new ATOM 0 HA ALA B 47 -16.901 9.725 0.856 1.00 0.00 H new ATOM 0 HB1 ALA B 47 -14.486 10.325 0.584 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -14.784 9.413 2.083 1.00 0.00 H new ATOM 0 HB3 ALA B 47 -14.069 8.598 0.672 1.00 0.00 H new ATOM 2183 N GLN B 48 -15.787 7.956 -1.661 1.00 0.00 N ATOM 2184 CA GLN B 48 -15.666 7.939 -3.122 1.00 0.00 C ATOM 2185 C GLN B 48 -16.485 6.812 -3.743 1.00 0.00 C ATOM 2186 O GLN B 48 -16.047 6.166 -4.699 1.00 0.00 O ATOM 2187 CB GLN B 48 -14.182 7.857 -3.564 1.00 0.00 C ATOM 2188 CG GLN B 48 -13.366 7.030 -2.566 1.00 0.00 C ATOM 2189 CD GLN B 48 -13.485 5.553 -2.895 1.00 0.00 C ATOM 2190 OE1 GLN B 48 -12.832 5.080 -3.815 1.00 0.00 O ATOM 2191 NE2 GLN B 48 -14.294 4.800 -2.211 1.00 0.00 N ATOM 0 H GLN B 48 -15.538 7.080 -1.201 1.00 0.00 H new ATOM 0 HA GLN B 48 -16.074 8.881 -3.489 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -14.117 7.408 -4.555 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -13.764 8.861 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -12.320 7.335 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -13.721 7.215 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -14.837 5.199 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -14.386 3.810 -2.440 1.00 0.00 H new ATOM 2200 N LYS B 49 -17.703 6.639 -3.266 1.00 0.00 N ATOM 2201 CA LYS B 49 -18.598 5.645 -3.845 1.00 0.00 C ATOM 2202 C LYS B 49 -18.874 6.026 -5.290 1.00 0.00 C ATOM 2203 O LYS B 49 -18.946 5.176 -6.184 1.00 0.00 O ATOM 2204 CB LYS B 49 -19.928 5.600 -3.075 1.00 0.00 C ATOM 2205 CG LYS B 49 -19.689 5.092 -1.642 1.00 0.00 C ATOM 2206 CD LYS B 49 -21.028 4.904 -0.905 1.00 0.00 C ATOM 2207 CE LYS B 49 -21.759 6.244 -0.735 1.00 0.00 C ATOM 2208 NZ LYS B 49 -20.987 7.152 0.150 1.00 0.00 N ATOM 0 H LYS B 49 -18.096 7.166 -2.487 1.00 0.00 H new ATOM 0 HA LYS B 49 -18.128 4.663 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -20.376 6.593 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -20.633 4.947 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -19.147 4.147 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -19.064 5.801 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -21.658 4.210 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -20.849 4.457 0.073 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -21.903 6.712 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -22.750 6.073 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -21.305 8.131 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -21.140 6.882 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -19.975 7.079 -0.076 1.00 0.00 H new ATOM 2222 N ASP B 50 -19.045 7.324 -5.491 1.00 0.00 N ATOM 2223 CA ASP B 50 -19.359 7.899 -6.792 1.00 0.00 C ATOM 2224 C ASP B 50 -18.262 7.692 -7.819 1.00 0.00 C ATOM 2225 O ASP B 50 -18.530 7.679 -9.017 1.00 0.00 O ATOM 2226 CB ASP B 50 -19.638 9.394 -6.653 1.00 0.00 C ATOM 2227 CG ASP B 50 -19.750 10.035 -8.026 1.00 0.00 C ATOM 2228 OD1 ASP B 50 -20.616 9.642 -8.777 1.00 0.00 O ATOM 2229 OD2 ASP B 50 -18.961 10.901 -8.311 1.00 0.00 O ATOM 0 H ASP B 50 -18.969 8.017 -4.746 1.00 0.00 H new ATOM 0 HA ASP B 50 -20.244 7.375 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -20.561 9.549 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -18.838 9.870 -6.085 1.00 0.00 H new ATOM 2234 N VAL B 51 -17.027 7.620 -7.372 1.00 0.00 N ATOM 2235 CA VAL B 51 -15.913 7.546 -8.300 1.00 0.00 C ATOM 2236 C VAL B 51 -15.998 6.291 -9.140 1.00 0.00 C ATOM 2237 O VAL B 51 -15.387 6.202 -10.204 1.00 0.00 O ATOM 2238 CB VAL B 51 -14.568 7.623 -7.555 1.00 0.00 C ATOM 2239 CG1 VAL B 51 -13.430 7.832 -8.559 1.00 0.00 C ATOM 2240 CG2 VAL B 51 -14.591 8.818 -6.597 1.00 0.00 C ATOM 0 H VAL B 51 -16.768 7.611 -6.386 1.00 0.00 H new ATOM 0 HA VAL B 51 -15.972 8.405 -8.969 1.00 0.00 H new ATOM 0 HB VAL B 51 -14.412 6.695 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -12.480 7.886 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -13.406 6.998 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -13.593 8.761 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -13.641 8.877 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -14.748 9.736 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -15.401 8.692 -5.878 1.00 0.00 H new ATOM 2250 N ASP B 52 -16.686 5.282 -8.621 1.00 0.00 N ATOM 2251 CA ASP B 52 -16.801 3.985 -9.305 1.00 0.00 C ATOM 2252 C ASP B 52 -15.455 3.273 -9.303 1.00 0.00 C ATOM 2253 O ASP B 52 -15.379 2.056 -9.467 1.00 0.00 O ATOM 2254 CB ASP B 52 -17.276 4.176 -10.751 1.00 0.00 C ATOM 2255 CG ASP B 52 -18.297 3.125 -11.112 1.00 0.00 C ATOM 2256 OD1 ASP B 52 -19.445 3.306 -10.777 1.00 0.00 O ATOM 2257 OD2 ASP B 52 -17.927 2.161 -11.732 1.00 0.00 O ATOM 0 H ASP B 52 -17.176 5.330 -7.728 1.00 0.00 H new ATOM 0 HA ASP B 52 -17.533 3.380 -8.770 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -17.709 5.169 -10.870 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -16.426 4.115 -11.431 1.00 0.00 H new ATOM 2262 N ALA B 53 -14.391 4.031 -9.053 1.00 0.00 N ATOM 2263 CA ALA B 53 -13.060 3.468 -8.969 1.00 0.00 C ATOM 2264 C ALA B 53 -13.007 2.467 -7.842 1.00 0.00 C ATOM 2265 O ALA B 53 -12.413 1.421 -7.973 1.00 0.00 O ATOM 2266 CB ALA B 53 -12.025 4.567 -8.733 1.00 0.00 C ATOM 0 H ALA B 53 -14.432 5.039 -8.906 1.00 0.00 H new ATOM 0 HA ALA B 53 -12.829 2.971 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -11.031 4.124 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -12.056 5.279 -9.558 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -12.249 5.083 -7.800 1.00 0.00 H new ATOM 2272 N VAL B 54 -13.697 2.771 -6.756 1.00 0.00 N ATOM 2273 CA VAL B 54 -13.745 1.853 -5.629 1.00 0.00 C ATOM 2274 C VAL B 54 -14.329 0.526 -6.077 1.00 0.00 C ATOM 2275 O VAL B 54 -13.753 -0.534 -5.818 1.00 0.00 O ATOM 2276 CB VAL B 54 -14.567 2.457 -4.466 1.00 0.00 C ATOM 2277 CG1 VAL B 54 -15.996 2.789 -4.921 1.00 0.00 C ATOM 2278 CG2 VAL B 54 -14.612 1.489 -3.272 1.00 0.00 C ATOM 0 H VAL B 54 -14.225 3.634 -6.630 1.00 0.00 H new ATOM 0 HA VAL B 54 -12.732 1.684 -5.264 1.00 0.00 H new ATOM 0 HB VAL B 54 -14.076 3.379 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -16.555 3.212 -4.086 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -15.960 3.511 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -16.489 1.879 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -15.195 1.933 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -15.075 0.552 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -13.598 1.295 -2.923 1.00 0.00 H new ATOM 2288 N ASP B 55 -15.405 0.596 -6.849 1.00 0.00 N ATOM 2289 CA ASP B 55 -16.003 -0.611 -7.409 1.00 0.00 C ATOM 2290 C ASP B 55 -14.993 -1.315 -8.293 1.00 0.00 C ATOM 2291 O ASP B 55 -14.769 -2.521 -8.194 1.00 0.00 O ATOM 2292 CB ASP B 55 -17.226 -0.247 -8.255 1.00 0.00 C ATOM 2293 CG ASP B 55 -17.809 -1.506 -8.871 1.00 0.00 C ATOM 2294 OD1 ASP B 55 -18.430 -2.254 -8.155 1.00 0.00 O ATOM 2295 OD2 ASP B 55 -17.609 -1.718 -10.047 1.00 0.00 O ATOM 0 H ASP B 55 -15.878 1.464 -7.100 1.00 0.00 H new ATOM 0 HA ASP B 55 -16.305 -1.265 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -17.975 0.248 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -16.943 0.456 -9.038 1.00 0.00 H new ATOM 2300 N LYS B 56 -14.405 -0.550 -9.169 1.00 0.00 N ATOM 2301 CA LYS B 56 -13.418 -1.043 -10.098 1.00 0.00 C ATOM 2302 C LYS B 56 -12.144 -1.509 -9.395 1.00 0.00 C ATOM 2303 O LYS B 56 -11.557 -2.518 -9.780 1.00 0.00 O ATOM 2304 CB LYS B 56 -13.156 0.025 -11.144 1.00 0.00 C ATOM 2305 CG LYS B 56 -14.430 0.128 -12.002 1.00 0.00 C ATOM 2306 CD LYS B 56 -14.330 1.276 -12.999 1.00 0.00 C ATOM 2307 CE LYS B 56 -15.526 1.213 -13.962 1.00 0.00 C ATOM 2308 NZ LYS B 56 -16.748 0.755 -13.236 1.00 0.00 N ATOM 0 H LYS B 56 -14.598 0.447 -9.262 1.00 0.00 H new ATOM 0 HA LYS B 56 -13.805 -1.932 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -12.929 0.981 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -12.296 -0.239 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -14.589 -0.809 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -15.296 0.277 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -14.321 2.231 -12.473 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -13.395 1.210 -13.556 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -15.701 2.195 -14.401 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -15.305 0.532 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -17.561 0.765 -13.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -16.599 -0.211 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -16.936 1.392 -12.436 1.00 0.00 H new ATOM 2322 N VAL B 57 -11.712 -0.768 -8.388 1.00 0.00 N ATOM 2323 CA VAL B 57 -10.517 -1.124 -7.631 1.00 0.00 C ATOM 2324 C VAL B 57 -10.727 -2.452 -6.912 1.00 0.00 C ATOM 2325 O VAL B 57 -9.919 -3.375 -7.053 1.00 0.00 O ATOM 2326 CB VAL B 57 -10.161 -0.009 -6.618 1.00 0.00 C ATOM 2327 CG1 VAL B 57 -9.028 -0.471 -5.697 1.00 0.00 C ATOM 2328 CG2 VAL B 57 -9.712 1.255 -7.366 1.00 0.00 C ATOM 0 H VAL B 57 -12.171 0.087 -8.073 1.00 0.00 H new ATOM 0 HA VAL B 57 -9.684 -1.231 -8.326 1.00 0.00 H new ATOM 0 HB VAL B 57 -11.047 0.211 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -8.788 0.323 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -9.343 -1.361 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -8.146 -0.704 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -9.463 2.035 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -8.835 1.027 -7.972 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -10.519 1.601 -8.012 1.00 0.00 H new ATOM 2338 N MET B 58 -11.870 -2.594 -6.236 1.00 0.00 N ATOM 2339 CA MET B 58 -12.190 -3.864 -5.605 1.00 0.00 C ATOM 2340 C MET B 58 -12.315 -4.934 -6.667 1.00 0.00 C ATOM 2341 O MET B 58 -11.711 -6.007 -6.555 1.00 0.00 O ATOM 2342 CB MET B 58 -13.439 -3.776 -4.704 1.00 0.00 C ATOM 2343 CG MET B 58 -14.705 -3.550 -5.526 1.00 0.00 C ATOM 2344 SD MET B 58 -16.126 -3.509 -4.408 1.00 0.00 S ATOM 2345 CE MET B 58 -17.426 -3.446 -5.659 1.00 0.00 C ATOM 0 H MET B 58 -12.570 -1.862 -6.116 1.00 0.00 H new ATOM 0 HA MET B 58 -11.374 -4.135 -4.935 1.00 0.00 H new ATOM 0 HB2 MET B 58 -13.538 -4.695 -4.126 1.00 0.00 H new ATOM 0 HB3 MET B 58 -13.317 -2.962 -3.990 1.00 0.00 H new ATOM 0 HG2 MET B 58 -14.633 -2.614 -6.080 1.00 0.00 H new ATOM 0 HG3 MET B 58 -14.825 -4.346 -6.260 1.00 0.00 H new ATOM 0 HE1 MET B 58 -17.930 -2.481 -5.611 1.00 0.00 H new ATOM 0 HE2 MET B 58 -16.986 -3.577 -6.648 1.00 0.00 H new ATOM 0 HE3 MET B 58 -18.147 -4.242 -5.474 1.00 0.00 H new ATOM 2355 N LYS B 59 -12.915 -4.557 -7.786 1.00 0.00 N ATOM 2356 CA LYS B 59 -12.939 -5.422 -8.938 1.00 0.00 C ATOM 2357 C LYS B 59 -11.537 -5.767 -9.395 1.00 0.00 C ATOM 2358 O LYS B 59 -11.240 -6.924 -9.656 1.00 0.00 O ATOM 2359 CB LYS B 59 -13.692 -4.781 -10.089 1.00 0.00 C ATOM 2360 CG LYS B 59 -13.597 -5.703 -11.272 1.00 0.00 C ATOM 2361 CD LYS B 59 -14.478 -5.198 -12.388 1.00 0.00 C ATOM 2362 CE LYS B 59 -14.295 -6.110 -13.572 1.00 0.00 C ATOM 2363 NZ LYS B 59 -14.796 -7.476 -13.250 1.00 0.00 N ATOM 0 H LYS B 59 -13.387 -3.662 -7.913 1.00 0.00 H new ATOM 0 HA LYS B 59 -13.452 -6.336 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -14.734 -4.614 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -13.266 -3.807 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -12.564 -5.766 -11.613 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -13.900 -6.710 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -15.522 -5.185 -12.074 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -14.212 -4.174 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -14.831 -5.712 -14.434 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -13.241 -6.156 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -13.989 -8.117 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -15.368 -7.440 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -15.380 -7.826 -14.036 1.00 0.00 H new ATOM 2377 N GLU B 60 -10.677 -4.778 -9.486 1.00 0.00 N ATOM 2378 CA GLU B 60 -9.317 -5.018 -9.925 1.00 0.00 C ATOM 2379 C GLU B 60 -8.704 -6.119 -9.072 1.00 0.00 C ATOM 2380 O GLU B 60 -8.087 -7.061 -9.596 1.00 0.00 O ATOM 2381 CB GLU B 60 -8.492 -3.730 -9.825 1.00 0.00 C ATOM 2382 CG GLU B 60 -8.421 -3.030 -11.192 1.00 0.00 C ATOM 2383 CD GLU B 60 -7.203 -3.504 -11.960 1.00 0.00 C ATOM 2384 OE1 GLU B 60 -6.126 -3.450 -11.409 1.00 0.00 O ATOM 2385 OE2 GLU B 60 -7.357 -3.911 -13.088 1.00 0.00 O ATOM 0 H GLU B 60 -10.891 -3.806 -9.264 1.00 0.00 H new ATOM 0 HA GLU B 60 -9.320 -5.335 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -8.939 -3.061 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -7.486 -3.962 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU B 60 -9.325 -3.240 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -8.375 -1.950 -11.054 1.00 0.00 H new ATOM 2392 N LEU B 61 -8.972 -6.070 -7.775 1.00 0.00 N ATOM 2393 CA LEU B 61 -8.569 -7.148 -6.896 1.00 0.00 C ATOM 2394 C LEU B 61 -9.295 -8.432 -7.258 1.00 0.00 C ATOM 2395 O LEU B 61 -8.728 -9.514 -7.194 1.00 0.00 O ATOM 2396 CB LEU B 61 -8.746 -6.792 -5.417 1.00 0.00 C ATOM 2397 CG LEU B 61 -7.519 -5.996 -4.921 1.00 0.00 C ATOM 2398 CD1 LEU B 61 -6.313 -6.935 -4.724 1.00 0.00 C ATOM 2399 CD2 LEU B 61 -7.143 -4.894 -5.920 1.00 0.00 C ATOM 0 H LEU B 61 -9.462 -5.302 -7.316 1.00 0.00 H new ATOM 0 HA LEU B 61 -7.501 -7.309 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -9.653 -6.203 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -8.865 -7.700 -4.826 1.00 0.00 H new ATOM 0 HG LEU B 61 -7.782 -5.537 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -5.456 -6.359 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -6.563 -7.698 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -6.066 -7.413 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -6.276 -4.347 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -6.903 -5.343 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -7.982 -4.208 -6.038 1.00 0.00 H new ATOM 2411 N ASP B 62 -10.559 -8.334 -7.628 1.00 0.00 N ATOM 2412 CA ASP B 62 -11.277 -9.511 -8.104 1.00 0.00 C ATOM 2413 C ASP B 62 -10.724 -9.994 -9.428 1.00 0.00 C ATOM 2414 O ASP B 62 -10.610 -11.212 -9.645 1.00 0.00 O ATOM 2415 CB ASP B 62 -12.799 -9.325 -8.120 1.00 0.00 C ATOM 2416 CG ASP B 62 -13.363 -9.639 -6.735 1.00 0.00 C ATOM 2417 OD1 ASP B 62 -12.663 -10.275 -5.945 1.00 0.00 O ATOM 2418 OD2 ASP B 62 -14.486 -9.259 -6.480 1.00 0.00 O ATOM 0 H ASP B 62 -11.104 -7.472 -7.611 1.00 0.00 H new ATOM 0 HA ASP B 62 -11.101 -10.304 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -13.049 -8.302 -8.403 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -13.249 -9.981 -8.865 1.00 0.00 H new ATOM 2423 N GLU B 63 -10.303 -9.058 -10.266 1.00 0.00 N ATOM 2424 CA GLU B 63 -9.662 -9.395 -11.520 1.00 0.00 C ATOM 2425 C GLU B 63 -8.362 -10.157 -11.262 1.00 0.00 C ATOM 2426 O GLU B 63 -8.208 -11.300 -11.689 1.00 0.00 O ATOM 2427 CB GLU B 63 -9.352 -8.122 -12.317 1.00 0.00 C ATOM 2428 CG GLU B 63 -10.653 -7.431 -12.752 1.00 0.00 C ATOM 2429 CD GLU B 63 -11.385 -8.261 -13.788 1.00 0.00 C ATOM 2430 OE1 GLU B 63 -10.793 -8.556 -14.804 1.00 0.00 O ATOM 2431 OE2 GLU B 63 -12.531 -8.598 -13.555 1.00 0.00 O ATOM 0 H GLU B 63 -10.396 -8.057 -10.096 1.00 0.00 H new ATOM 0 HA GLU B 63 -10.342 -10.024 -12.094 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -8.757 -7.441 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -8.754 -8.371 -13.194 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -11.295 -7.276 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -10.427 -6.447 -13.162 1.00 0.00 H new ATOM 2438 N ASN B 64 -7.448 -9.528 -10.526 1.00 0.00 N ATOM 2439 CA ASN B 64 -6.161 -10.157 -10.196 1.00 0.00 C ATOM 2440 C ASN B 64 -6.325 -11.232 -9.143 1.00 0.00 C ATOM 2441 O ASN B 64 -5.818 -12.348 -9.281 1.00 0.00 O ATOM 2442 CB ASN B 64 -5.187 -9.118 -9.663 1.00 0.00 C ATOM 2443 CG ASN B 64 -3.751 -9.552 -9.927 1.00 0.00 C ATOM 2444 OD1 ASN B 64 -3.367 -10.670 -9.581 1.00 0.00 O ATOM 2445 ND2 ASN B 64 -2.939 -8.748 -10.538 1.00 0.00 N ATOM 0 H ASN B 64 -7.569 -8.589 -10.147 1.00 0.00 H new ATOM 0 HA ASN B 64 -5.778 -10.605 -11.113 1.00 0.00 H new ATOM 0 HB2 ASN B 64 -5.376 -8.155 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN B 64 -5.341 -8.981 -8.593 1.00 0.00 H new ATOM 0 HD21 ASN B 64 -1.982 -9.041 -10.733 1.00 0.00 H new ATOM 0 HD22 ASN B 64 -3.257 -7.822 -10.824 1.00 0.00 H new ATOM 2452 N GLY B 65 -7.042 -10.891 -8.088 1.00 0.00 N ATOM 2453 CA GLY B 65 -7.270 -11.799 -6.986 1.00 0.00 C ATOM 2454 C GLY B 65 -8.254 -12.850 -7.384 1.00 0.00 C ATOM 2455 O GLY B 65 -9.166 -13.173 -6.620 1.00 0.00 O ATOM 0 H GLY B 65 -7.481 -9.977 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -6.330 -12.264 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -7.643 -11.249 -6.122 1.00 0.00 H new ATOM 2459 N ASP B 66 -8.092 -13.388 -8.581 1.00 0.00 N ATOM 2460 CA ASP B 66 -8.975 -14.437 -9.052 1.00 0.00 C ATOM 2461 C ASP B 66 -8.816 -15.625 -8.136 1.00 0.00 C ATOM 2462 O ASP B 66 -9.771 -16.340 -7.831 1.00 0.00 O ATOM 2463 CB ASP B 66 -8.610 -14.849 -10.477 1.00 0.00 C ATOM 2464 CG ASP B 66 -9.787 -15.510 -11.153 1.00 0.00 C ATOM 2465 OD1 ASP B 66 -10.212 -16.536 -10.689 1.00 0.00 O ATOM 2466 OD2 ASP B 66 -10.263 -14.971 -12.126 1.00 0.00 O ATOM 0 H ASP B 66 -7.362 -13.117 -9.239 1.00 0.00 H new ATOM 0 HA ASP B 66 -10.004 -14.077 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -8.300 -13.973 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -7.762 -15.534 -10.458 1.00 0.00 H new ATOM 2471 N GLY B 67 -7.586 -15.815 -7.693 1.00 0.00 N ATOM 2472 CA GLY B 67 -7.259 -16.903 -6.793 1.00 0.00 C ATOM 2473 C GLY B 67 -7.055 -16.393 -5.380 1.00 0.00 C ATOM 2474 O GLY B 67 -7.890 -16.632 -4.504 1.00 0.00 O ATOM 0 H GLY B 67 -6.793 -15.225 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -8.059 -17.643 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -6.355 -17.405 -7.137 1.00 0.00 H new ATOM 2478 N GLU B 68 -5.938 -15.714 -5.160 1.00 0.00 N ATOM 2479 CA GLU B 68 -5.565 -15.187 -3.845 1.00 0.00 C ATOM 2480 C GLU B 68 -4.880 -13.836 -3.968 1.00 0.00 C ATOM 2481 O GLU B 68 -4.226 -13.559 -4.979 1.00 0.00 O ATOM 2482 CB GLU B 68 -4.644 -16.170 -3.121 1.00 0.00 C ATOM 2483 CG GLU B 68 -5.452 -17.365 -2.593 1.00 0.00 C ATOM 2484 CD GLU B 68 -4.533 -18.449 -2.058 1.00 0.00 C ATOM 2485 OE1 GLU B 68 -3.333 -18.296 -2.149 1.00 0.00 O ATOM 2486 OE2 GLU B 68 -5.044 -19.433 -1.580 1.00 0.00 O ATOM 0 H GLU B 68 -5.257 -15.509 -5.891 1.00 0.00 H new ATOM 0 HA GLU B 68 -6.480 -15.057 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -3.867 -16.519 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -4.142 -15.668 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -6.126 -17.033 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -6.072 -17.771 -3.392 1.00 0.00 H new ATOM 2493 N VAL B 69 -4.935 -13.046 -2.900 1.00 0.00 N ATOM 2494 CA VAL B 69 -4.252 -11.762 -2.851 1.00 0.00 C ATOM 2495 C VAL B 69 -3.306 -11.707 -1.656 1.00 0.00 C ATOM 2496 O VAL B 69 -3.692 -12.037 -0.533 1.00 0.00 O ATOM 2497 CB VAL B 69 -5.297 -10.585 -2.862 1.00 0.00 C ATOM 2498 CG1 VAL B 69 -6.526 -10.922 -2.022 1.00 0.00 C ATOM 2499 CG2 VAL B 69 -4.688 -9.283 -2.310 1.00 0.00 C ATOM 0 H VAL B 69 -5.451 -13.277 -2.051 1.00 0.00 H new ATOM 0 HA VAL B 69 -3.636 -11.644 -3.743 1.00 0.00 H new ATOM 0 HB VAL B 69 -5.586 -10.445 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.227 -10.088 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -7.007 -11.814 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -6.223 -11.105 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -5.438 -8.492 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -4.359 -9.442 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -3.835 -8.992 -2.923 1.00 0.00 H new ATOM 2509 N ASP B 70 -2.055 -11.332 -1.906 1.00 0.00 N ATOM 2510 CA ASP B 70 -1.069 -11.243 -0.837 1.00 0.00 C ATOM 2511 C ASP B 70 -1.032 -9.835 -0.277 1.00 0.00 C ATOM 2512 O ASP B 70 -1.874 -8.994 -0.604 1.00 0.00 O ATOM 2513 CB ASP B 70 0.339 -11.646 -1.307 1.00 0.00 C ATOM 2514 CG ASP B 70 1.023 -10.478 -1.982 1.00 0.00 C ATOM 2515 OD1 ASP B 70 0.530 -10.051 -2.997 1.00 0.00 O ATOM 2516 OD2 ASP B 70 2.023 -10.017 -1.470 1.00 0.00 O ATOM 0 H ASP B 70 -1.703 -11.087 -2.832 1.00 0.00 H new ATOM 0 HA ASP B 70 -1.374 -11.945 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP B 70 0.932 -11.980 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP B 70 0.272 -12.486 -1.999 1.00 0.00 H new ATOM 2521 N PHE B 71 -0.046 -9.575 0.549 1.00 0.00 N ATOM 2522 CA PHE B 71 0.101 -8.266 1.157 1.00 0.00 C ATOM 2523 C PHE B 71 0.304 -7.207 0.083 1.00 0.00 C ATOM 2524 O PHE B 71 -0.348 -6.159 0.100 1.00 0.00 O ATOM 2525 CB PHE B 71 1.281 -8.264 2.127 1.00 0.00 C ATOM 2526 CG PHE B 71 1.331 -6.946 2.868 1.00 0.00 C ATOM 2527 CD1 PHE B 71 0.363 -6.667 3.838 1.00 0.00 C ATOM 2528 CD2 PHE B 71 2.340 -6.013 2.595 1.00 0.00 C ATOM 2529 CE1 PHE B 71 0.401 -5.463 4.535 1.00 0.00 C ATOM 2530 CE2 PHE B 71 2.375 -4.807 3.296 1.00 0.00 C ATOM 2531 CZ PHE B 71 1.408 -4.532 4.266 1.00 0.00 C ATOM 0 H PHE B 71 0.669 -10.251 0.818 1.00 0.00 H new ATOM 0 HA PHE B 71 -0.809 -8.034 1.711 1.00 0.00 H new ATOM 0 HB2 PHE B 71 1.183 -9.087 2.835 1.00 0.00 H new ATOM 0 HB3 PHE B 71 2.212 -8.421 1.582 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -0.415 -7.387 4.046 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.087 -6.226 1.845 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -0.347 -5.248 5.283 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.151 -4.085 3.088 1.00 0.00 H new ATOM 0 HZ PHE B 71 1.439 -3.599 4.809 1.00 0.00 H new ATOM 2541 N GLN B 72 1.169 -7.506 -0.878 1.00 0.00 N ATOM 2542 CA GLN B 72 1.439 -6.586 -1.973 1.00 0.00 C ATOM 2543 C GLN B 72 0.181 -6.307 -2.796 1.00 0.00 C ATOM 2544 O GLN B 72 -0.096 -5.152 -3.150 1.00 0.00 O ATOM 2545 CB GLN B 72 2.592 -7.097 -2.844 1.00 0.00 C ATOM 2546 CG GLN B 72 3.918 -6.824 -2.140 1.00 0.00 C ATOM 2547 CD GLN B 72 5.066 -7.456 -2.907 1.00 0.00 C ATOM 2548 OE1 GLN B 72 5.839 -8.228 -2.327 1.00 0.00 O ATOM 2549 NE2 GLN B 72 5.222 -7.199 -4.177 1.00 0.00 N ATOM 0 H GLN B 72 1.695 -8.379 -0.920 1.00 0.00 H new ATOM 0 HA GLN B 72 1.750 -5.634 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN B 72 2.478 -8.165 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN B 72 2.575 -6.603 -3.816 1.00 0.00 H new ATOM 0 HG2 GLN B 72 4.077 -5.749 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN B 72 3.887 -7.222 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN B 72 4.582 -6.562 -4.651 1.00 0.00 H new ATOM 0 HE22 GLN B 72 5.984 -7.636 -4.696 1.00 0.00 H new ATOM 2558 N GLU B 73 -0.609 -7.329 -3.043 1.00 0.00 N ATOM 2559 CA GLU B 73 -1.891 -7.128 -3.700 1.00 0.00 C ATOM 2560 C GLU B 73 -2.870 -6.419 -2.758 1.00 0.00 C ATOM 2561 O GLU B 73 -3.608 -5.523 -3.164 1.00 0.00 O ATOM 2562 CB GLU B 73 -2.456 -8.462 -4.189 1.00 0.00 C ATOM 2563 CG GLU B 73 -1.587 -8.973 -5.336 1.00 0.00 C ATOM 2564 CD GLU B 73 -1.706 -8.034 -6.514 1.00 0.00 C ATOM 2565 OE1 GLU B 73 -2.795 -7.918 -7.046 1.00 0.00 O ATOM 2566 OE2 GLU B 73 -0.714 -7.444 -6.874 1.00 0.00 O ATOM 0 H GLU B 73 -0.394 -8.297 -2.804 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.743 -6.489 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.471 -9.187 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.486 -8.336 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -0.547 -9.042 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -1.899 -9.977 -5.624 1.00 0.00 H new ATOM 2573 N TYR B 74 -2.838 -6.806 -1.494 1.00 0.00 N ATOM 2574 CA TYR B 74 -3.701 -6.216 -0.468 1.00 0.00 C ATOM 2575 C TYR B 74 -3.450 -4.714 -0.279 1.00 0.00 C ATOM 2576 O TYR B 74 -4.402 -3.923 -0.231 1.00 0.00 O ATOM 2577 CB TYR B 74 -3.520 -6.985 0.855 1.00 0.00 C ATOM 2578 CG TYR B 74 -4.224 -6.293 2.005 1.00 0.00 C ATOM 2579 CD1 TYR B 74 -5.590 -6.004 1.929 1.00 0.00 C ATOM 2580 CD2 TYR B 74 -3.494 -5.952 3.149 1.00 0.00 C ATOM 2581 CE1 TYR B 74 -6.228 -5.382 3.005 1.00 0.00 C ATOM 2582 CE2 TYR B 74 -4.135 -5.333 4.219 1.00 0.00 C ATOM 2583 CZ TYR B 74 -5.497 -5.043 4.151 1.00 0.00 C ATOM 2584 OH TYR B 74 -6.119 -4.434 5.207 1.00 0.00 O ATOM 0 H TYR B 74 -2.217 -7.536 -1.144 1.00 0.00 H new ATOM 0 HA TYR B 74 -4.735 -6.307 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR B 74 -3.911 -7.997 0.745 1.00 0.00 H new ATOM 0 HB3 TYR B 74 -2.458 -7.077 1.081 1.00 0.00 H new ATOM 0 HD1 TYR B 74 -6.150 -6.261 1.042 1.00 0.00 H new ATOM 0 HD2 TYR B 74 -2.437 -6.168 3.202 1.00 0.00 H new ATOM 0 HE1 TYR B 74 -7.284 -5.163 2.953 1.00 0.00 H new ATOM 0 HE2 TYR B 74 -3.574 -5.076 5.106 1.00 0.00 H new ATOM 0 HH TYR B 74 -6.402 -5.112 5.856 1.00 0.00 H new ATOM 2594 N VAL B 75 -2.190 -4.318 -0.151 1.00 0.00 N ATOM 2595 CA VAL B 75 -1.865 -2.906 0.096 1.00 0.00 C ATOM 2596 C VAL B 75 -2.273 -1.987 -1.060 1.00 0.00 C ATOM 2597 O VAL B 75 -2.792 -0.885 -0.835 1.00 0.00 O ATOM 2598 CB VAL B 75 -0.389 -2.717 0.453 1.00 0.00 C ATOM 2599 CG1 VAL B 75 -0.123 -3.314 1.838 1.00 0.00 C ATOM 2600 CG2 VAL B 75 0.505 -3.414 -0.583 1.00 0.00 C ATOM 0 H VAL B 75 -1.383 -4.938 -0.212 1.00 0.00 H new ATOM 0 HA VAL B 75 -2.462 -2.609 0.958 1.00 0.00 H new ATOM 0 HB VAL B 75 -0.159 -1.652 0.457 1.00 0.00 H new ATOM 0 HG11 VAL B 75 0.928 -3.181 2.096 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -0.745 -2.809 2.577 1.00 0.00 H new ATOM 0 HG13 VAL B 75 -0.363 -4.377 1.828 1.00 0.00 H new ATOM 0 HG21 VAL B 75 1.552 -3.271 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL B 75 0.278 -4.480 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL B 75 0.321 -2.987 -1.569 1.00 0.00 H new ATOM 2610 N VAL B 76 -2.052 -2.424 -2.294 1.00 0.00 N ATOM 2611 CA VAL B 76 -2.396 -1.593 -3.432 1.00 0.00 C ATOM 2612 C VAL B 76 -3.902 -1.331 -3.483 1.00 0.00 C ATOM 2613 O VAL B 76 -4.333 -0.230 -3.834 1.00 0.00 O ATOM 2614 CB VAL B 76 -1.863 -2.203 -4.750 1.00 0.00 C ATOM 2615 CG1 VAL B 76 -2.509 -3.563 -5.011 1.00 0.00 C ATOM 2616 CG2 VAL B 76 -2.153 -1.264 -5.932 1.00 0.00 C ATOM 0 H VAL B 76 -1.645 -3.330 -2.526 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.907 -0.627 -3.310 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.785 -2.333 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.122 -3.977 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.277 -4.240 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -3.590 -3.444 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -1.772 -1.708 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -3.229 -1.113 -6.021 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.665 -0.304 -5.763 1.00 0.00 H new ATOM 2626 N LEU B 77 -4.690 -2.323 -3.073 1.00 0.00 N ATOM 2627 CA LEU B 77 -6.140 -2.176 -3.057 1.00 0.00 C ATOM 2628 C LEU B 77 -6.540 -1.055 -2.115 1.00 0.00 C ATOM 2629 O LEU B 77 -7.274 -0.145 -2.497 1.00 0.00 O ATOM 2630 CB LEU B 77 -6.786 -3.492 -2.590 1.00 0.00 C ATOM 2631 CG LEU B 77 -8.325 -3.354 -2.482 1.00 0.00 C ATOM 2632 CD1 LEU B 77 -8.955 -3.168 -3.867 1.00 0.00 C ATOM 2633 CD2 LEU B 77 -8.907 -4.611 -1.826 1.00 0.00 C ATOM 0 H LEU B 77 -4.351 -3.229 -2.750 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.483 -1.936 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.538 -4.290 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.375 -3.778 -1.622 1.00 0.00 H new ATOM 0 HG LEU B 77 -8.551 -2.477 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -10.036 -3.073 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -8.554 -2.267 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -8.723 -4.031 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.990 -4.514 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -8.663 -5.484 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -8.483 -4.731 -0.829 1.00 0.00 H new ATOM 2645 N VAL B 78 -5.996 -1.072 -0.915 1.00 0.00 N ATOM 2646 CA VAL B 78 -6.274 -0.011 0.027 1.00 0.00 C ATOM 2647 C VAL B 78 -5.602 1.288 -0.411 1.00 0.00 C ATOM 2648 O VAL B 78 -6.184 2.377 -0.310 1.00 0.00 O ATOM 2649 CB VAL B 78 -5.892 -0.414 1.458 1.00 0.00 C ATOM 2650 CG1 VAL B 78 -6.676 -1.676 1.851 1.00 0.00 C ATOM 2651 CG2 VAL B 78 -4.396 -0.712 1.550 1.00 0.00 C ATOM 0 H VAL B 78 -5.367 -1.799 -0.574 1.00 0.00 H new ATOM 0 HA VAL B 78 -7.349 0.167 0.035 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.132 0.409 2.131 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -6.410 -1.968 2.867 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.745 -1.470 1.801 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -6.430 -2.486 1.164 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -4.144 -0.996 2.572 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -4.146 -1.529 0.874 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -3.830 0.177 1.270 1.00 0.00 H new ATOM 2661 N ALA B 79 -4.377 1.171 -0.922 1.00 0.00 N ATOM 2662 CA ALA B 79 -3.642 2.332 -1.385 1.00 0.00 C ATOM 2663 C ALA B 79 -4.353 3.014 -2.532 1.00 0.00 C ATOM 2664 O ALA B 79 -4.497 4.237 -2.529 1.00 0.00 O ATOM 2665 CB ALA B 79 -2.227 1.965 -1.798 1.00 0.00 C ATOM 0 H ALA B 79 -3.880 0.286 -1.023 1.00 0.00 H new ATOM 0 HA ALA B 79 -3.588 3.028 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA B 79 -1.704 2.858 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -1.698 1.539 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -2.262 1.234 -2.606 1.00 0.00 H new ATOM 2671 N ALA B 80 -4.811 2.226 -3.498 1.00 0.00 N ATOM 2672 CA ALA B 80 -5.507 2.789 -4.636 1.00 0.00 C ATOM 2673 C ALA B 80 -6.725 3.550 -4.152 1.00 0.00 C ATOM 2674 O ALA B 80 -6.946 4.696 -4.535 1.00 0.00 O ATOM 2675 CB ALA B 80 -5.918 1.694 -5.628 1.00 0.00 C ATOM 0 H ALA B 80 -4.713 1.211 -3.512 1.00 0.00 H new ATOM 0 HA ALA B 80 -4.836 3.472 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -6.439 2.145 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.029 1.174 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.579 0.983 -5.132 1.00 0.00 H new ATOM 2681 N LEU B 81 -7.449 2.948 -3.227 1.00 0.00 N ATOM 2682 CA LEU B 81 -8.580 3.627 -2.616 1.00 0.00 C ATOM 2683 C LEU B 81 -8.105 4.843 -1.825 1.00 0.00 C ATOM 2684 O LEU B 81 -8.718 5.918 -1.884 1.00 0.00 O ATOM 2685 CB LEU B 81 -9.345 2.669 -1.706 1.00 0.00 C ATOM 2686 CG LEU B 81 -10.042 1.602 -2.563 1.00 0.00 C ATOM 2687 CD1 LEU B 81 -10.653 0.534 -1.650 1.00 0.00 C ATOM 2688 CD2 LEU B 81 -11.144 2.247 -3.405 1.00 0.00 C ATOM 0 H LEU B 81 -7.279 2.002 -2.885 1.00 0.00 H new ATOM 0 HA LEU B 81 -9.250 3.966 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.662 2.196 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -10.081 3.217 -1.118 1.00 0.00 H new ATOM 0 HG LEU B 81 -9.310 1.141 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -11.148 -0.224 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -9.865 0.067 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -11.381 0.998 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -11.633 1.484 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -11.877 2.715 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.708 3.003 -4.058 1.00 0.00 H new ATOM 2700 N THR B 82 -7.002 4.685 -1.092 1.00 0.00 N ATOM 2701 CA THR B 82 -6.482 5.777 -0.291 1.00 0.00 C ATOM 2702 C THR B 82 -6.081 6.954 -1.172 1.00 0.00 C ATOM 2703 O THR B 82 -6.516 8.076 -0.938 1.00 0.00 O ATOM 2704 CB THR B 82 -5.278 5.321 0.546 1.00 0.00 C ATOM 2705 OG1 THR B 82 -5.602 4.123 1.247 1.00 0.00 O ATOM 2706 CG2 THR B 82 -4.893 6.425 1.553 1.00 0.00 C ATOM 0 H THR B 82 -6.463 3.821 -1.041 1.00 0.00 H new ATOM 0 HA THR B 82 -7.276 6.097 0.384 1.00 0.00 H new ATOM 0 HB THR B 82 -4.434 5.131 -0.118 1.00 0.00 H new ATOM 0 HG1 THR B 82 -5.745 3.397 0.605 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.038 6.096 2.144 1.00 0.00 H new ATOM 0 HG22 THR B 82 -4.632 7.335 1.013 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.736 6.625 2.214 1.00 0.00 H new ATOM 2714 N VAL B 83 -5.298 6.691 -2.209 1.00 0.00 N ATOM 2715 CA VAL B 83 -4.895 7.767 -3.096 1.00 0.00 C ATOM 2716 C VAL B 83 -6.112 8.379 -3.769 1.00 0.00 C ATOM 2717 O VAL B 83 -6.285 9.603 -3.757 1.00 0.00 O ATOM 2718 CB VAL B 83 -3.824 7.308 -4.124 1.00 0.00 C ATOM 2719 CG1 VAL B 83 -4.318 6.131 -4.964 1.00 0.00 C ATOM 2720 CG2 VAL B 83 -3.443 8.471 -5.051 1.00 0.00 C ATOM 0 H VAL B 83 -4.939 5.768 -2.451 1.00 0.00 H new ATOM 0 HA VAL B 83 -4.420 8.541 -2.493 1.00 0.00 H new ATOM 0 HB VAL B 83 -2.949 6.984 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL B 83 -3.542 5.838 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL B 83 -4.550 5.290 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL B 83 -5.215 6.425 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL B 83 -2.692 8.135 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL B 83 -4.328 8.813 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL B 83 -3.038 9.291 -4.458 1.00 0.00 H new ATOM 2730 N ALA B 84 -7.008 7.531 -4.258 1.00 0.00 N ATOM 2731 CA ALA B 84 -8.225 8.019 -4.880 1.00 0.00 C ATOM 2732 C ALA B 84 -9.014 8.880 -3.905 1.00 0.00 C ATOM 2733 O ALA B 84 -9.356 10.026 -4.207 1.00 0.00 O ATOM 2734 CB ALA B 84 -9.089 6.853 -5.377 1.00 0.00 C ATOM 0 H ALA B 84 -6.915 6.516 -4.235 1.00 0.00 H new ATOM 0 HA ALA B 84 -7.945 8.630 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA B 84 -9.996 7.243 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA B 84 -8.529 6.272 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA B 84 -9.357 6.214 -4.535 1.00 0.00 H new ATOM 2740 N MET B 85 -9.280 8.353 -2.714 1.00 0.00 N ATOM 2741 CA MET B 85 -10.022 9.123 -1.721 1.00 0.00 C ATOM 2742 C MET B 85 -9.225 10.304 -1.196 1.00 0.00 C ATOM 2743 O MET B 85 -9.738 11.416 -1.098 1.00 0.00 O ATOM 2744 CB MET B 85 -10.478 8.246 -0.551 1.00 0.00 C ATOM 2745 CG MET B 85 -11.919 8.601 -0.162 1.00 0.00 C ATOM 2746 SD MET B 85 -11.901 9.732 1.254 1.00 0.00 S ATOM 2747 CE MET B 85 -12.241 11.273 0.362 1.00 0.00 C ATOM 0 H MET B 85 -9.001 7.418 -2.417 1.00 0.00 H new ATOM 0 HA MET B 85 -10.902 9.509 -2.235 1.00 0.00 H new ATOM 0 HB2 MET B 85 -10.416 7.194 -0.828 1.00 0.00 H new ATOM 0 HB3 MET B 85 -9.816 8.390 0.303 1.00 0.00 H new ATOM 0 HG2 MET B 85 -12.431 9.065 -1.005 1.00 0.00 H new ATOM 0 HG3 MET B 85 -12.473 7.696 0.089 1.00 0.00 H new ATOM 0 HE1 MET B 85 -11.318 11.843 0.255 1.00 0.00 H new ATOM 0 HE2 MET B 85 -12.641 11.041 -0.625 1.00 0.00 H new ATOM 0 HE3 MET B 85 -12.969 11.863 0.919 1.00 0.00 H new ATOM 2757 N ASN B 86 -7.983 10.060 -0.833 1.00 0.00 N ATOM 2758 CA ASN B 86 -7.186 11.121 -0.236 1.00 0.00 C ATOM 2759 C ASN B 86 -6.959 12.233 -1.239 1.00 0.00 C ATOM 2760 O ASN B 86 -7.028 13.413 -0.894 1.00 0.00 O ATOM 2761 CB ASN B 86 -5.867 10.597 0.341 1.00 0.00 C ATOM 2762 CG ASN B 86 -5.531 11.367 1.611 1.00 0.00 C ATOM 2763 OD1 ASN B 86 -4.847 12.380 1.569 1.00 0.00 O ATOM 2764 ND2 ASN B 86 -5.980 10.949 2.748 1.00 0.00 N ATOM 0 H ASN B 86 -7.509 9.162 -0.935 1.00 0.00 H new ATOM 0 HA ASN B 86 -7.746 11.529 0.606 1.00 0.00 H new ATOM 0 HB2 ASN B 86 -5.950 9.532 0.559 1.00 0.00 H new ATOM 0 HB3 ASN B 86 -5.066 10.711 -0.390 1.00 0.00 H new ATOM 0 HD21 ASN B 86 -5.763 11.463 3.602 1.00 0.00 H new ATOM 0 HD22 ASN B 86 -6.551 10.105 2.792 1.00 0.00 H new ATOM 2771 N ASN B 87 -6.828 11.866 -2.507 1.00 0.00 N ATOM 2772 CA ASN B 87 -6.686 12.852 -3.570 1.00 0.00 C ATOM 2773 C ASN B 87 -7.864 13.804 -3.533 1.00 0.00 C ATOM 2774 O ASN B 87 -7.701 15.022 -3.690 1.00 0.00 O ATOM 2775 CB ASN B 87 -6.590 12.180 -4.947 1.00 0.00 C ATOM 2776 CG ASN B 87 -6.399 13.215 -6.071 1.00 0.00 C ATOM 2777 OD1 ASN B 87 -6.058 12.845 -7.201 1.00 0.00 O ATOM 2778 ND2 ASN B 87 -6.594 14.481 -5.847 1.00 0.00 N ATOM 0 H ASN B 87 -6.817 10.896 -2.824 1.00 0.00 H new ATOM 0 HA ASN B 87 -5.761 13.405 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN B 87 -5.756 11.478 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN B 87 -7.495 11.602 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN B 87 -6.466 15.158 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN B 87 -6.875 14.797 -4.919 1.00 0.00 H new ATOM 2785 N PHE B 88 -9.036 13.263 -3.243 1.00 0.00 N ATOM 2786 CA PHE B 88 -10.228 14.079 -3.112 1.00 0.00 C ATOM 2787 C PHE B 88 -10.024 15.119 -2.031 1.00 0.00 C ATOM 2788 O PHE B 88 -10.281 16.294 -2.244 1.00 0.00 O ATOM 2789 CB PHE B 88 -11.457 13.215 -2.800 1.00 0.00 C ATOM 2790 CG PHE B 88 -12.667 14.095 -2.613 1.00 0.00 C ATOM 2791 CD1 PHE B 88 -13.277 14.684 -3.722 1.00 0.00 C ATOM 2792 CD2 PHE B 88 -13.176 14.327 -1.327 1.00 0.00 C ATOM 2793 CE1 PHE B 88 -14.393 15.497 -3.551 1.00 0.00 C ATOM 2794 CE2 PHE B 88 -14.297 15.144 -1.157 1.00 0.00 C ATOM 2795 CZ PHE B 88 -14.904 15.728 -2.272 1.00 0.00 C ATOM 0 H PHE B 88 -9.186 12.265 -3.095 1.00 0.00 H new ATOM 0 HA PHE B 88 -10.407 14.583 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.632 12.509 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.281 12.628 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.883 14.509 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -12.702 13.875 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -14.865 15.951 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -14.692 15.323 -0.168 1.00 0.00 H new ATOM 0 HZ PHE B 88 -15.771 16.360 -2.144 1.00 0.00 H new ATOM 2805 N PHE B 89 -9.472 14.712 -0.906 1.00 0.00 N ATOM 2806 CA PHE B 89 -9.195 15.676 0.151 1.00 0.00 C ATOM 2807 C PHE B 89 -8.253 16.770 -0.335 1.00 0.00 C ATOM 2808 O PHE B 89 -8.438 17.942 0.000 1.00 0.00 O ATOM 2809 CB PHE B 89 -8.610 14.998 1.398 1.00 0.00 C ATOM 2810 CG PHE B 89 -9.714 14.340 2.196 1.00 0.00 C ATOM 2811 CD1 PHE B 89 -10.636 15.135 2.881 1.00 0.00 C ATOM 2812 CD2 PHE B 89 -9.814 12.947 2.262 1.00 0.00 C ATOM 2813 CE1 PHE B 89 -11.658 14.542 3.627 1.00 0.00 C ATOM 2814 CE2 PHE B 89 -10.836 12.352 3.009 1.00 0.00 C ATOM 2815 CZ PHE B 89 -11.756 13.148 3.692 1.00 0.00 C ATOM 0 H PHE B 89 -9.210 13.748 -0.698 1.00 0.00 H new ATOM 0 HA PHE B 89 -10.148 16.129 0.424 1.00 0.00 H new ATOM 0 HB2 PHE B 89 -7.870 14.254 1.104 1.00 0.00 H new ATOM 0 HB3 PHE B 89 -8.094 15.734 2.014 1.00 0.00 H new ATOM 0 HD1 PHE B 89 -10.559 16.211 2.834 1.00 0.00 H new ATOM 0 HD2 PHE B 89 -9.101 12.330 1.736 1.00 0.00 H new ATOM 0 HE1 PHE B 89 -12.371 15.159 4.153 1.00 0.00 H new ATOM 0 HE2 PHE B 89 -10.913 11.276 3.057 1.00 0.00 H new ATOM 0 HZ PHE B 89 -12.543 12.688 4.271 1.00 0.00 H new