USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1084 hydrogens (66 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 124 SER OG : rot 140:sc= 0.705 USER MOD Set 1.2: A 129 OLA O2 : rot -170:sc= 0.948 USER MOD Set 2.1: A 102 THR OG1 : rot -105:sc= 1.23 USER MOD Set 2.2: A 111 ASN : amide:sc= 1.02 K(o=2.3,f=-2.6!) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 94 THR OG1 : rot -106:sc= 0.998 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.85 (180deg=0.547) USER MOD Set 5.1: A 81 THR OG1 : rot -63:sc= 1.2 USER MOD Set 5.2: A 93 THR OG1 : rot 49:sc= 2.2 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 56 SER OG : rot 170:sc= 0.772 USER MOD Set 7.2: A 128 OLA O2 : rot 30:sc= 1.06 USER MOD Set 8.1: A 10 GLN : amide:sc= 0.963 K(o=2.1,f=-4.1) USER MOD Set 8.2: A 36 LYS NZ :NH3+ 180:sc= 1.13 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.516 USER MOD Single : A 4 SER OG : rot 180:sc= 0.282 USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.07) USER MOD Single : A 7 TYR OH : rot 33:sc= 1.16 USER MOD Single : A 8 GLN : amide:sc= 0.818 K(o=0.82,f=-0.16) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.41 K(o=1.4,f=-4.9!) USER MOD Single : A 14 ASN : amide:sc= 0.464 X(o=0.46,f=0) USER MOD Single : A 19 MET CE :methyl 140:sc= -0.0302 (180deg=-0.985) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 2.07 (180deg=1.36) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 2.35 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 1.23 (180deg=-0.369!) USER MOD Single : A 39 SER OG : rot -159:sc= 0.939 USER MOD Single : A 43 GLN : amide:sc= 2.07 K(o=2.1,f=-3.7!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.88) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.04 (180deg=-0.513!) USER MOD Single : A 51 THR OG1 : rot 151:sc= 0.964 USER MOD Single : A 53 THR OG1 : rot -78:sc= 1.14 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 60 GLN : amide:sc= 0.15 K(o=0.15,f=-1.3!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 69 CYS SG : rot 43:sc= 0.809 USER MOD Single : A 73 THR OG1 : rot -119:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.13) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.0763!) USER MOD Single : A 84 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.0091) USER MOD Single : A 89 ASN : amide:sc= 0.485 X(o=0.49,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.956) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.31) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 110 THR OG1 : rot 0:sc= 1.24 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00383 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.84 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.763 -10.988 -11.061 1.00 0.00 N ATOM 2 CA SER A 2 7.570 -11.407 -9.890 1.00 0.00 C ATOM 3 C SER A 2 7.548 -10.301 -8.801 1.00 0.00 C ATOM 4 O SER A 2 8.239 -9.284 -8.907 1.00 0.00 O ATOM 5 CB SER A 2 8.998 -11.735 -10.376 1.00 0.00 C ATOM 6 OG SER A 2 9.832 -12.153 -9.293 1.00 0.00 O ATOM 0 HA SER A 2 7.151 -12.302 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.956 -12.521 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.432 -10.857 -10.854 1.00 0.00 H new ATOM 0 HG SER A 2 10.729 -12.355 -9.631 1.00 0.00 H new ATOM 13 N PHE A 3 6.790 -10.532 -7.723 1.00 0.00 N ATOM 14 CA PHE A 3 6.616 -9.543 -6.618 1.00 0.00 C ATOM 15 C PHE A 3 7.652 -9.540 -5.452 1.00 0.00 C ATOM 16 O PHE A 3 7.724 -8.516 -4.768 1.00 0.00 O ATOM 17 CB PHE A 3 5.164 -9.659 -6.070 1.00 0.00 C ATOM 18 CG PHE A 3 4.122 -8.891 -6.892 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.859 -7.546 -6.607 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.416 -9.529 -7.917 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.900 -6.851 -7.338 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.441 -8.836 -8.626 1.00 0.00 C ATOM 23 CZ PHE A 3 2.184 -7.500 -8.336 1.00 0.00 C ATOM 0 H PHE A 3 6.276 -11.401 -7.579 1.00 0.00 H new ATOM 0 HA PHE A 3 6.815 -8.580 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.882 -10.711 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.144 -9.292 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.402 -7.046 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.628 -10.560 -8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.713 -5.808 -7.130 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.882 -9.336 -9.403 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.425 -6.966 -8.889 1.00 0.00 H new ATOM 33 N SER A 4 8.456 -10.592 -5.212 1.00 0.00 N ATOM 34 CA SER A 4 9.408 -10.638 -4.064 1.00 0.00 C ATOM 35 C SER A 4 10.522 -9.531 -4.069 1.00 0.00 C ATOM 36 O SER A 4 11.265 -9.390 -5.048 1.00 0.00 O ATOM 37 CB SER A 4 10.010 -12.060 -3.975 1.00 0.00 C ATOM 38 OG SER A 4 9.009 -13.024 -3.636 1.00 0.00 O ATOM 0 H SER A 4 8.472 -11.429 -5.795 1.00 0.00 H new ATOM 0 HA SER A 4 8.831 -10.408 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.466 -12.325 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.803 -12.076 -3.227 1.00 0.00 H new ATOM 0 HG SER A 4 9.415 -13.914 -3.588 1.00 0.00 H new ATOM 44 N GLY A 5 10.620 -8.746 -2.981 1.00 0.00 N ATOM 45 CA GLY A 5 11.617 -7.650 -2.860 1.00 0.00 C ATOM 46 C GLY A 5 11.336 -6.639 -1.721 1.00 0.00 C ATOM 47 O GLY A 5 10.238 -6.567 -1.160 1.00 0.00 O ATOM 0 H GLY A 5 10.019 -8.846 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.602 -8.090 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.658 -7.109 -3.805 1.00 0.00 H new ATOM 51 N LYS A 6 12.359 -5.839 -1.401 1.00 0.00 N ATOM 52 CA LYS A 6 12.286 -4.743 -0.390 1.00 0.00 C ATOM 53 C LYS A 6 12.283 -3.393 -1.174 1.00 0.00 C ATOM 54 O LYS A 6 13.323 -2.779 -1.412 1.00 0.00 O ATOM 55 CB LYS A 6 13.506 -4.861 0.561 1.00 0.00 C ATOM 56 CG LYS A 6 13.506 -6.064 1.535 1.00 0.00 C ATOM 57 CD LYS A 6 14.826 -6.151 2.334 1.00 0.00 C ATOM 58 CE LYS A 6 14.960 -7.385 3.249 1.00 0.00 C ATOM 59 NZ LYS A 6 14.087 -7.285 4.451 1.00 0.00 N ATOM 0 H LYS A 6 13.279 -5.924 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 6 11.386 -4.802 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.409 -4.914 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.571 -3.945 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.668 -5.973 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.358 -6.987 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.659 -6.148 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.922 -5.253 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.702 -8.283 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.998 -7.493 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.233 -8.118 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.327 -6.424 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.091 -7.242 4.154 1.00 0.00 H new ATOM 73 N TYR A 7 11.103 -2.913 -1.576 1.00 0.00 N ATOM 74 CA TYR A 7 10.967 -1.765 -2.516 1.00 0.00 C ATOM 75 C TYR A 7 11.092 -0.382 -1.807 1.00 0.00 C ATOM 76 O TYR A 7 10.195 0.001 -1.052 1.00 0.00 O ATOM 77 CB TYR A 7 9.603 -1.862 -3.276 1.00 0.00 C ATOM 78 CG TYR A 7 9.285 -3.131 -4.100 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.869 -4.302 -3.455 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.334 -3.109 -5.498 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.557 -5.440 -4.186 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.002 -4.246 -6.233 1.00 0.00 C ATOM 83 CZ TYR A 7 8.629 -5.412 -5.574 1.00 0.00 C ATOM 84 OH TYR A 7 8.356 -6.542 -6.287 1.00 0.00 O ATOM 0 H TYR A 7 10.210 -3.298 -1.268 1.00 0.00 H new ATOM 0 HA TYR A 7 11.793 -1.829 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.808 -1.742 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.543 -1.009 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.790 -4.320 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.631 -2.206 -6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.259 -6.345 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.034 -4.221 -7.312 1.00 0.00 H new ATOM 0 HH TYR A 7 7.672 -7.066 -5.821 1.00 0.00 H new ATOM 94 N GLN A 8 12.173 0.390 -2.042 1.00 0.00 N ATOM 95 CA GLN A 8 12.310 1.743 -1.425 1.00 0.00 C ATOM 96 C GLN A 8 11.488 2.843 -2.179 1.00 0.00 C ATOM 97 O GLN A 8 11.536 2.961 -3.409 1.00 0.00 O ATOM 98 CB GLN A 8 13.797 2.135 -1.244 1.00 0.00 C ATOM 99 CG GLN A 8 13.985 3.299 -0.232 1.00 0.00 C ATOM 100 CD GLN A 8 15.412 3.795 -0.011 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.388 3.388 -0.632 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.561 4.732 0.891 1.00 0.00 N ATOM 0 H GLN A 8 12.953 0.116 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 8 11.870 1.680 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.360 1.266 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.213 2.425 -2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.380 4.142 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.583 2.981 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.752 5.074 1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.486 5.120 1.075 1.00 0.00 H new ATOM 111 N LEU A 9 10.772 3.675 -1.404 1.00 0.00 N ATOM 112 CA LEU A 9 9.906 4.760 -1.932 1.00 0.00 C ATOM 113 C LEU A 9 10.697 5.931 -2.590 1.00 0.00 C ATOM 114 O LEU A 9 11.664 6.457 -2.033 1.00 0.00 O ATOM 115 CB LEU A 9 8.980 5.217 -0.768 1.00 0.00 C ATOM 116 CG LEU A 9 7.945 6.338 -1.067 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.921 5.944 -2.146 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.206 6.720 0.223 1.00 0.00 C ATOM 0 H LEU A 9 10.773 3.619 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 9 9.306 4.379 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.435 4.344 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.614 5.555 0.052 1.00 0.00 H new ATOM 0 HG LEU A 9 8.507 7.188 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.227 6.769 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.442 5.720 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.368 5.064 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.482 7.506 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.687 5.846 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.924 7.079 0.961 1.00 0.00 H new ATOM 130 N GLN A 10 10.245 6.334 -3.784 1.00 0.00 N ATOM 131 CA GLN A 10 10.859 7.433 -4.574 1.00 0.00 C ATOM 132 C GLN A 10 9.906 8.662 -4.658 1.00 0.00 C ATOM 133 O GLN A 10 10.260 9.740 -4.176 1.00 0.00 O ATOM 134 CB GLN A 10 11.264 6.879 -5.966 1.00 0.00 C ATOM 135 CG GLN A 10 12.347 5.775 -5.956 1.00 0.00 C ATOM 136 CD GLN A 10 13.796 6.241 -5.741 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.098 7.326 -5.241 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.745 5.410 -6.097 1.00 0.00 N ATOM 0 H GLN A 10 9.438 5.910 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 10 11.760 7.795 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.373 6.484 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.621 7.708 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.098 5.060 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.297 5.239 -6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.505 4.509 -6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.723 5.664 -5.959 1.00 0.00 H new ATOM 147 N SER A 11 8.723 8.503 -5.279 1.00 0.00 N ATOM 148 CA SER A 11 7.704 9.584 -5.391 1.00 0.00 C ATOM 149 C SER A 11 6.361 9.176 -4.700 1.00 0.00 C ATOM 150 O SER A 11 5.896 8.036 -4.804 1.00 0.00 O ATOM 151 CB SER A 11 7.543 9.927 -6.890 1.00 0.00 C ATOM 152 OG SER A 11 6.623 11.001 -7.087 1.00 0.00 O ATOM 0 H SER A 11 8.439 7.628 -5.719 1.00 0.00 H new ATOM 0 HA SER A 11 8.030 10.479 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.513 10.196 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.196 9.046 -7.430 1.00 0.00 H new ATOM 0 HG SER A 11 6.545 11.194 -8.045 1.00 0.00 H new ATOM 158 N GLN A 12 5.744 10.128 -3.980 1.00 0.00 N ATOM 159 CA GLN A 12 4.445 9.925 -3.279 1.00 0.00 C ATOM 160 C GLN A 12 3.496 11.086 -3.716 1.00 0.00 C ATOM 161 O GLN A 12 3.749 12.253 -3.399 1.00 0.00 O ATOM 162 CB GLN A 12 4.745 9.850 -1.756 1.00 0.00 C ATOM 163 CG GLN A 12 3.594 9.287 -0.887 1.00 0.00 C ATOM 164 CD GLN A 12 3.939 8.795 0.530 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.526 7.718 0.953 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.648 9.552 1.332 1.00 0.00 N ATOM 0 H GLN A 12 6.126 11.066 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 12 3.934 8.997 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.629 9.231 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.992 10.850 -1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.833 10.062 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.141 8.457 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.002 10.451 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.845 9.242 2.284 1.00 0.00 H new ATOM 175 N GLU A 13 2.419 10.767 -4.455 1.00 0.00 N ATOM 176 CA GLU A 13 1.536 11.782 -5.096 1.00 0.00 C ATOM 177 C GLU A 13 0.478 12.410 -4.124 1.00 0.00 C ATOM 178 O GLU A 13 0.830 13.276 -3.317 1.00 0.00 O ATOM 179 CB GLU A 13 1.013 11.070 -6.380 1.00 0.00 C ATOM 180 CG GLU A 13 0.273 11.944 -7.423 1.00 0.00 C ATOM 181 CD GLU A 13 -0.425 11.109 -8.487 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.243 10.657 -9.443 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.642 10.875 -8.350 1.00 0.00 O ATOM 0 H GLU A 13 2.129 9.805 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 13 2.055 12.698 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.863 10.600 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.340 10.269 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.462 12.568 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.986 12.616 -7.901 1.00 0.00 H new ATOM 190 N ASN A 14 -0.802 11.988 -4.157 1.00 0.00 N ATOM 191 CA ASN A 14 -1.882 12.604 -3.330 1.00 0.00 C ATOM 192 C ASN A 14 -1.942 12.099 -1.849 1.00 0.00 C ATOM 193 O ASN A 14 -2.944 11.539 -1.395 1.00 0.00 O ATOM 194 CB ASN A 14 -3.227 12.427 -4.091 1.00 0.00 C ATOM 195 CG ASN A 14 -3.453 13.344 -5.296 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.654 14.544 -5.151 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.457 12.830 -6.502 1.00 0.00 N ATOM 0 H ASN A 14 -1.123 11.220 -4.747 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.658 13.664 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.294 11.393 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.042 12.584 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.627 13.428 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.291 11.832 -6.632 1.00 0.00 H new ATOM 204 N PHE A 15 -0.873 12.349 -1.074 1.00 0.00 N ATOM 205 CA PHE A 15 -0.832 12.029 0.386 1.00 0.00 C ATOM 206 C PHE A 15 -1.659 13.062 1.232 1.00 0.00 C ATOM 207 O PHE A 15 -2.599 12.666 1.926 1.00 0.00 O ATOM 208 CB PHE A 15 0.659 11.879 0.790 1.00 0.00 C ATOM 209 CG PHE A 15 0.911 11.225 2.158 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.943 12.006 3.315 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.188 9.858 2.253 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.268 11.431 4.540 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.531 9.288 3.476 1.00 0.00 C ATOM 214 CZ PHE A 15 1.567 10.076 4.621 1.00 0.00 C ATOM 0 H PHE A 15 -0.015 12.774 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.328 11.083 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.167 11.290 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.119 12.867 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.715 13.060 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.135 9.239 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.288 12.040 5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.769 8.236 3.535 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.827 9.636 5.572 1.00 0.00 H new ATOM 224 N GLU A 16 -1.341 14.372 1.138 1.00 0.00 N ATOM 225 CA GLU A 16 -2.112 15.477 1.790 1.00 0.00 C ATOM 226 C GLU A 16 -3.657 15.484 1.520 1.00 0.00 C ATOM 227 O GLU A 16 -4.449 15.549 2.466 1.00 0.00 O ATOM 228 CB GLU A 16 -1.435 16.823 1.374 1.00 0.00 C ATOM 229 CG GLU A 16 -0.302 17.322 2.308 1.00 0.00 C ATOM 230 CD GLU A 16 -0.816 18.058 3.532 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.246 19.223 3.400 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.876 17.471 4.629 1.00 0.00 O ATOM 0 H GLU A 16 -0.537 14.705 0.605 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.067 15.320 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.029 16.709 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.204 17.594 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.297 16.470 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.359 17.982 1.746 1.00 0.00 H new ATOM 239 N ALA A 17 -4.077 15.394 0.243 1.00 0.00 N ATOM 240 CA ALA A 17 -5.509 15.284 -0.140 1.00 0.00 C ATOM 241 C ALA A 17 -6.244 13.984 0.343 1.00 0.00 C ATOM 242 O ALA A 17 -7.395 14.071 0.775 1.00 0.00 O ATOM 243 CB ALA A 17 -5.561 15.465 -1.670 1.00 0.00 C ATOM 0 H ALA A 17 -3.440 15.395 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.071 16.060 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.594 15.393 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.159 16.443 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.967 14.687 -2.149 1.00 0.00 H new ATOM 249 N PHE A 18 -5.596 12.802 0.296 1.00 0.00 N ATOM 250 CA PHE A 18 -6.181 11.526 0.802 1.00 0.00 C ATOM 251 C PHE A 18 -6.292 11.457 2.352 1.00 0.00 C ATOM 252 O PHE A 18 -7.391 11.220 2.857 1.00 0.00 O ATOM 253 CB PHE A 18 -5.375 10.357 0.171 1.00 0.00 C ATOM 254 CG PHE A 18 -5.923 8.933 0.378 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.579 8.217 1.530 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.694 8.307 -0.609 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.982 6.895 1.686 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.097 6.984 -0.453 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.738 6.280 0.694 1.00 0.00 C ATOM 0 H PHE A 18 -4.658 12.696 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.223 11.453 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.301 10.538 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.362 10.391 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.996 8.695 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.978 8.854 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.708 6.347 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.687 6.504 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.048 5.252 0.813 1.00 0.00 H new ATOM 269 N MET A 19 -5.194 11.669 3.101 1.00 0.00 N ATOM 270 CA MET A 19 -5.205 11.635 4.589 1.00 0.00 C ATOM 271 C MET A 19 -6.154 12.692 5.254 1.00 0.00 C ATOM 272 O MET A 19 -6.862 12.337 6.201 1.00 0.00 O ATOM 273 CB MET A 19 -3.749 11.657 5.108 1.00 0.00 C ATOM 274 CG MET A 19 -2.912 10.378 4.875 1.00 0.00 C ATOM 275 SD MET A 19 -2.704 10.034 3.114 1.00 0.00 S ATOM 276 CE MET A 19 -2.298 8.284 3.126 1.00 0.00 C ATOM 0 H MET A 19 -4.276 11.868 2.702 1.00 0.00 H new ATOM 0 HA MET A 19 -5.659 10.696 4.906 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.232 12.493 4.637 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.772 11.859 6.179 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.934 10.492 5.342 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.399 9.530 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.802 7.788 2.297 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.220 8.160 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.625 7.841 4.067 1.00 0.00 H new ATOM 286 N LYS A 20 -6.229 13.948 4.756 1.00 0.00 N ATOM 287 CA LYS A 20 -7.293 14.907 5.181 1.00 0.00 C ATOM 288 C LYS A 20 -8.742 14.452 4.768 1.00 0.00 C ATOM 289 O LYS A 20 -9.639 14.549 5.610 1.00 0.00 O ATOM 290 CB LYS A 20 -6.961 16.352 4.717 1.00 0.00 C ATOM 291 CG LYS A 20 -5.981 17.113 5.647 1.00 0.00 C ATOM 292 CD LYS A 20 -5.803 18.605 5.272 1.00 0.00 C ATOM 293 CE LYS A 20 -4.668 18.905 4.272 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.369 19.015 4.984 1.00 0.00 N ATOM 0 H LYS A 20 -5.577 14.324 4.068 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.300 14.908 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.534 16.310 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.889 16.920 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.341 17.045 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.009 16.621 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.740 18.971 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.620 19.172 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.615 18.114 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.879 19.833 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.672 19.475 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.493 19.582 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.031 18.065 5.239 1.00 0.00 H new ATOM 308 N ALA A 21 -8.992 13.934 3.539 1.00 0.00 N ATOM 309 CA ALA A 21 -10.316 13.357 3.162 1.00 0.00 C ATOM 310 C ALA A 21 -10.803 12.134 4.019 1.00 0.00 C ATOM 311 O ALA A 21 -11.993 12.059 4.331 1.00 0.00 O ATOM 312 CB ALA A 21 -10.266 13.020 1.660 1.00 0.00 C ATOM 0 H ALA A 21 -8.299 13.902 2.791 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.070 14.113 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.221 12.595 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.071 13.928 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.471 12.298 1.475 1.00 0.00 H new ATOM 318 N ILE A 22 -9.911 11.199 4.415 1.00 0.00 N ATOM 319 CA ILE A 22 -10.269 10.061 5.330 1.00 0.00 C ATOM 320 C ILE A 22 -10.270 10.402 6.872 1.00 0.00 C ATOM 321 O ILE A 22 -10.645 9.539 7.672 1.00 0.00 O ATOM 322 CB ILE A 22 -9.460 8.753 4.994 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.929 8.840 5.257 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.739 8.248 3.556 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.203 7.490 5.367 1.00 0.00 C ATOM 0 H ILE A 22 -8.934 11.199 4.122 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.319 9.863 5.114 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.839 8.020 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.471 9.415 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.767 9.397 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.159 7.344 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.801 8.027 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.453 9.017 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.142 7.661 5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.626 6.916 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.325 6.934 4.437 1.00 0.00 H new ATOM 337 N GLY A 23 -9.859 11.612 7.302 1.00 0.00 N ATOM 338 CA GLY A 23 -9.882 12.035 8.728 1.00 0.00 C ATOM 339 C GLY A 23 -8.611 11.825 9.579 1.00 0.00 C ATOM 340 O GLY A 23 -8.726 11.334 10.703 1.00 0.00 O ATOM 0 H GLY A 23 -9.500 12.330 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.127 13.097 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.700 11.506 9.218 1.00 0.00 H new ATOM 344 N LEU A 24 -7.428 12.233 9.087 1.00 0.00 N ATOM 345 CA LEU A 24 -6.147 12.124 9.848 1.00 0.00 C ATOM 346 C LEU A 24 -5.525 13.517 10.256 1.00 0.00 C ATOM 347 O LEU A 24 -5.822 14.532 9.614 1.00 0.00 O ATOM 348 CB LEU A 24 -5.151 11.213 9.063 1.00 0.00 C ATOM 349 CG LEU A 24 -5.039 9.767 9.617 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.196 8.874 9.143 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.693 9.142 9.238 1.00 0.00 C ATOM 0 H LEU A 24 -7.321 12.646 8.160 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.368 11.652 10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.463 11.167 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.164 11.674 9.080 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.103 9.836 10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.075 7.872 9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.143 9.294 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.192 8.821 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.637 8.129 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.599 9.110 8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.883 9.741 9.655 1.00 0.00 H new ATOM 363 N PRO A 25 -4.639 13.616 11.299 1.00 0.00 N ATOM 364 CA PRO A 25 -4.051 14.909 11.741 1.00 0.00 C ATOM 365 C PRO A 25 -2.897 15.462 10.864 1.00 0.00 C ATOM 366 O PRO A 25 -1.950 14.747 10.523 1.00 0.00 O ATOM 367 CB PRO A 25 -3.523 14.591 13.151 1.00 0.00 C ATOM 368 CG PRO A 25 -3.316 13.076 13.197 1.00 0.00 C ATOM 369 CD PRO A 25 -4.208 12.466 12.120 1.00 0.00 C ATOM 0 HA PRO A 25 -4.805 15.694 11.682 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.589 15.118 13.345 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.233 14.910 13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.270 12.825 13.018 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.575 12.682 14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.664 11.734 11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.062 11.949 12.558 1.00 0.00 H new ATOM 377 N GLU A 26 -2.930 16.776 10.607 1.00 0.00 N ATOM 378 CA GLU A 26 -1.886 17.486 9.823 1.00 0.00 C ATOM 379 C GLU A 26 -0.409 17.362 10.338 1.00 0.00 C ATOM 380 O GLU A 26 0.506 17.263 9.518 1.00 0.00 O ATOM 381 CB GLU A 26 -2.371 18.938 9.637 1.00 0.00 C ATOM 382 CG GLU A 26 -3.637 19.114 8.751 1.00 0.00 C ATOM 383 CD GLU A 26 -3.817 20.496 8.153 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.402 21.373 8.816 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.409 20.689 6.986 1.00 0.00 O ATOM 0 H GLU A 26 -3.679 17.387 10.933 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.787 16.983 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.575 19.363 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.560 19.520 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.598 18.387 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.516 18.877 9.350 1.00 0.00 H new ATOM 392 N GLU A 27 -0.193 17.322 11.667 1.00 0.00 N ATOM 393 CA GLU A 27 1.124 17.010 12.301 1.00 0.00 C ATOM 394 C GLU A 27 1.719 15.615 11.886 1.00 0.00 C ATOM 395 O GLU A 27 2.862 15.560 11.417 1.00 0.00 O ATOM 396 CB GLU A 27 0.911 17.222 13.829 1.00 0.00 C ATOM 397 CG GLU A 27 2.103 16.921 14.780 1.00 0.00 C ATOM 398 CD GLU A 27 2.196 15.496 15.321 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.182 14.965 15.817 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.299 14.913 15.287 1.00 0.00 O ATOM 0 H GLU A 27 -0.930 17.506 12.347 1.00 0.00 H new ATOM 0 HA GLU A 27 1.909 17.675 11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.614 18.259 13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.071 16.600 14.139 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.028 17.146 14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.046 17.605 15.627 1.00 0.00 H new ATOM 407 N LEU A 28 0.953 14.508 11.998 1.00 0.00 N ATOM 408 CA LEU A 28 1.400 13.168 11.503 1.00 0.00 C ATOM 409 C LEU A 28 1.491 13.066 9.933 1.00 0.00 C ATOM 410 O LEU A 28 2.408 12.426 9.409 1.00 0.00 O ATOM 411 CB LEU A 28 0.539 12.023 12.112 1.00 0.00 C ATOM 412 CG LEU A 28 0.323 11.964 13.653 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.531 10.738 14.028 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.611 11.935 14.490 1.00 0.00 C ATOM 0 H LEU A 28 0.026 14.505 12.423 1.00 0.00 H new ATOM 0 HA LEU A 28 2.424 13.046 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.445 12.071 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.990 11.078 11.809 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.185 12.898 13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.673 10.710 15.108 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.501 10.806 13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.024 9.829 13.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.356 11.894 15.549 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.198 11.056 14.224 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.194 12.834 14.292 1.00 0.00 H new ATOM 426 N ILE A 29 0.577 13.719 9.180 1.00 0.00 N ATOM 427 CA ILE A 29 0.621 13.811 7.683 1.00 0.00 C ATOM 428 C ILE A 29 1.918 14.549 7.190 1.00 0.00 C ATOM 429 O ILE A 29 2.632 14.020 6.333 1.00 0.00 O ATOM 430 CB ILE A 29 -0.704 14.424 7.095 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.986 13.652 7.517 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.696 14.503 5.545 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.317 14.398 7.286 1.00 0.00 C ATOM 0 H ILE A 29 -0.222 14.204 9.587 1.00 0.00 H new ATOM 0 HA ILE A 29 0.679 12.797 7.288 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.731 15.427 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.018 12.710 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.908 13.404 8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.635 14.934 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.134 15.129 5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.581 13.502 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.147 13.772 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.317 15.327 7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.429 14.622 6.225 1.00 0.00 H new ATOM 445 N GLN A 30 2.241 15.733 7.750 1.00 0.00 N ATOM 446 CA GLN A 30 3.537 16.438 7.500 1.00 0.00 C ATOM 447 C GLN A 30 4.835 15.625 7.837 1.00 0.00 C ATOM 448 O GLN A 30 5.875 15.871 7.221 1.00 0.00 O ATOM 449 CB GLN A 30 3.489 17.827 8.208 1.00 0.00 C ATOM 450 CG GLN A 30 2.967 19.036 7.376 1.00 0.00 C ATOM 451 CD GLN A 30 1.859 18.815 6.335 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.111 18.827 5.134 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.636 18.580 6.741 1.00 0.00 N ATOM 0 H GLN A 30 1.621 16.234 8.387 1.00 0.00 H new ATOM 0 HA GLN A 30 3.626 16.566 6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.862 17.732 9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.495 18.065 8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.609 19.787 8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.822 19.469 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.423 18.569 7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.103 18.408 6.060 1.00 0.00 H new ATOM 462 N LYS A 31 4.777 14.658 8.772 1.00 0.00 N ATOM 463 CA LYS A 31 5.896 13.719 9.042 1.00 0.00 C ATOM 464 C LYS A 31 6.002 12.603 7.949 1.00 0.00 C ATOM 465 O LYS A 31 7.044 12.502 7.298 1.00 0.00 O ATOM 466 CB LYS A 31 5.706 13.147 10.469 1.00 0.00 C ATOM 467 CG LYS A 31 6.102 14.105 11.614 1.00 0.00 C ATOM 468 CD LYS A 31 5.672 13.523 12.970 1.00 0.00 C ATOM 469 CE LYS A 31 6.261 14.274 14.172 1.00 0.00 C ATOM 470 NZ LYS A 31 5.619 13.715 15.385 1.00 0.00 N ATOM 0 H LYS A 31 3.960 14.501 9.362 1.00 0.00 H new ATOM 0 HA LYS A 31 6.847 14.249 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.660 12.866 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.294 12.234 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.180 14.267 11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.633 15.077 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.584 13.543 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.975 12.477 13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.343 14.147 14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.068 15.344 14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.300 13.718 16.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.794 14.295 15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.312 12.739 15.197 1.00 0.00 H new ATOM 484 N GLY A 32 4.949 11.786 7.723 1.00 0.00 N ATOM 485 CA GLY A 32 4.982 10.711 6.691 1.00 0.00 C ATOM 486 C GLY A 32 4.926 11.055 5.181 1.00 0.00 C ATOM 487 O GLY A 32 5.106 10.139 4.375 1.00 0.00 O ATOM 0 H GLY A 32 4.069 11.845 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.895 10.139 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.146 10.043 6.898 1.00 0.00 H new ATOM 491 N LYS A 33 4.692 12.318 4.780 1.00 0.00 N ATOM 492 CA LYS A 33 4.640 12.714 3.340 1.00 0.00 C ATOM 493 C LYS A 33 5.968 12.632 2.506 1.00 0.00 C ATOM 494 O LYS A 33 5.921 12.199 1.351 1.00 0.00 O ATOM 495 CB LYS A 33 3.950 14.102 3.217 1.00 0.00 C ATOM 496 CG LYS A 33 4.688 15.310 3.848 1.00 0.00 C ATOM 497 CD LYS A 33 4.040 16.677 3.565 1.00 0.00 C ATOM 498 CE LYS A 33 4.308 17.244 2.155 1.00 0.00 C ATOM 499 NZ LYS A 33 5.694 17.780 2.019 1.00 0.00 N ATOM 0 H LYS A 33 4.534 13.091 5.426 1.00 0.00 H new ATOM 0 HA LYS A 33 4.048 11.934 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.798 14.313 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.963 14.032 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.740 15.164 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.713 15.326 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.963 16.588 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.400 17.393 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.148 16.461 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.591 18.036 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.030 17.631 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.695 18.798 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.324 17.286 2.683 1.00 0.00 H new ATOM 513 N ASP A 34 7.119 13.037 3.073 1.00 0.00 N ATOM 514 CA ASP A 34 8.428 13.093 2.344 1.00 0.00 C ATOM 515 C ASP A 34 9.486 11.981 2.709 1.00 0.00 C ATOM 516 O ASP A 34 10.568 11.954 2.113 1.00 0.00 O ATOM 517 CB ASP A 34 9.034 14.513 2.563 1.00 0.00 C ATOM 518 CG ASP A 34 8.195 15.716 2.114 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.876 15.850 0.916 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.803 16.530 2.977 1.00 0.00 O ATOM 0 H ASP A 34 7.183 13.337 4.046 1.00 0.00 H new ATOM 0 HA ASP A 34 8.201 12.888 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.246 14.628 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.990 14.555 2.041 1.00 0.00 H new ATOM 525 N ILE A 35 9.207 11.051 3.647 1.00 0.00 N ATOM 526 CA ILE A 35 10.178 10.004 4.096 1.00 0.00 C ATOM 527 C ILE A 35 10.305 8.865 3.024 1.00 0.00 C ATOM 528 O ILE A 35 9.352 8.114 2.789 1.00 0.00 O ATOM 529 CB ILE A 35 9.785 9.469 5.530 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.830 10.570 6.637 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.662 8.271 6.000 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.109 10.226 7.955 1.00 0.00 C ATOM 0 H ILE A 35 8.305 10.996 4.120 1.00 0.00 H new ATOM 0 HA ILE A 35 11.170 10.447 4.188 1.00 0.00 H new ATOM 0 HB ILE A 35 8.756 9.133 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.874 10.789 6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.392 11.483 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.341 7.952 6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.553 7.443 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.707 8.578 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.204 11.060 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.054 10.039 7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.558 9.335 8.394 1.00 0.00 H new ATOM 544 N LYS A 36 11.505 8.692 2.430 1.00 0.00 N ATOM 545 CA LYS A 36 11.771 7.588 1.458 1.00 0.00 C ATOM 546 C LYS A 36 12.032 6.214 2.176 1.00 0.00 C ATOM 547 O LYS A 36 13.161 5.712 2.230 1.00 0.00 O ATOM 548 CB LYS A 36 12.948 7.984 0.519 1.00 0.00 C ATOM 549 CG LYS A 36 12.664 9.087 -0.530 1.00 0.00 C ATOM 550 CD LYS A 36 13.719 9.067 -1.659 1.00 0.00 C ATOM 551 CE LYS A 36 13.440 10.100 -2.763 1.00 0.00 C ATOM 552 NZ LYS A 36 14.316 9.828 -3.937 1.00 0.00 N ATOM 0 H LYS A 36 12.309 9.296 2.600 1.00 0.00 H new ATOM 0 HA LYS A 36 10.876 7.445 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.782 8.312 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.277 7.089 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.670 8.942 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.665 10.063 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.703 9.258 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.751 8.071 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.392 10.055 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.622 11.107 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.125 10.528 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.313 9.892 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.122 8.873 -4.301 1.00 0.00 H new ATOM 566 N GLY A 37 10.965 5.598 2.712 1.00 0.00 N ATOM 567 CA GLY A 37 11.062 4.300 3.430 1.00 0.00 C ATOM 568 C GLY A 37 10.972 3.029 2.554 1.00 0.00 C ATOM 569 O GLY A 37 10.759 3.078 1.342 1.00 0.00 O ATOM 0 H GLY A 37 10.018 5.974 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.008 4.277 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.267 4.260 4.175 1.00 0.00 H new ATOM 573 N VAL A 38 11.139 1.870 3.202 1.00 0.00 N ATOM 574 CA VAL A 38 11.074 0.537 2.527 1.00 0.00 C ATOM 575 C VAL A 38 9.614 -0.042 2.580 1.00 0.00 C ATOM 576 O VAL A 38 8.913 0.047 3.596 1.00 0.00 O ATOM 577 CB VAL A 38 12.155 -0.425 3.143 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.128 -1.862 2.567 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.609 0.080 2.955 1.00 0.00 C ATOM 0 H VAL A 38 11.323 1.813 4.204 1.00 0.00 H new ATOM 0 HA VAL A 38 11.313 0.644 1.469 1.00 0.00 H new ATOM 0 HB VAL A 38 11.878 -0.436 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.904 -2.460 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.154 -2.312 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.307 -1.827 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.302 -0.632 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.826 0.177 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.722 1.051 3.438 1.00 0.00 H new ATOM 589 N SER A 39 9.185 -0.649 1.465 1.00 0.00 N ATOM 590 CA SER A 39 7.890 -1.363 1.346 1.00 0.00 C ATOM 591 C SER A 39 8.201 -2.798 0.836 1.00 0.00 C ATOM 592 O SER A 39 8.440 -3.036 -0.350 1.00 0.00 O ATOM 593 CB SER A 39 6.958 -0.635 0.366 1.00 0.00 C ATOM 594 OG SER A 39 6.437 0.576 0.908 1.00 0.00 O ATOM 0 H SER A 39 9.730 -0.662 0.603 1.00 0.00 H new ATOM 0 HA SER A 39 7.383 -1.398 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.502 -0.414 -0.552 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.132 -1.294 0.097 1.00 0.00 H new ATOM 0 HG SER A 39 5.625 0.829 0.422 1.00 0.00 H new ATOM 600 N GLU A 40 8.212 -3.758 1.757 1.00 0.00 N ATOM 601 CA GLU A 40 8.538 -5.175 1.451 1.00 0.00 C ATOM 602 C GLU A 40 7.323 -6.013 0.963 1.00 0.00 C ATOM 603 O GLU A 40 6.184 -5.782 1.378 1.00 0.00 O ATOM 604 CB GLU A 40 9.115 -5.775 2.757 1.00 0.00 C ATOM 605 CG GLU A 40 9.779 -7.171 2.666 1.00 0.00 C ATOM 606 CD GLU A 40 10.367 -7.635 3.986 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.605 -7.858 4.952 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.605 -7.768 4.064 1.00 0.00 O ATOM 0 H GLU A 40 7.997 -3.590 2.740 1.00 0.00 H new ATOM 0 HA GLU A 40 9.246 -5.206 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.852 -5.076 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.308 -5.833 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.040 -7.898 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.567 -7.144 1.913 1.00 0.00 H new ATOM 615 N ILE A 41 7.588 -7.009 0.104 1.00 0.00 N ATOM 616 CA ILE A 41 6.578 -8.031 -0.295 1.00 0.00 C ATOM 617 C ILE A 41 7.350 -9.394 -0.443 1.00 0.00 C ATOM 618 O ILE A 41 8.392 -9.458 -1.105 1.00 0.00 O ATOM 619 CB ILE A 41 5.784 -7.706 -1.620 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.116 -6.300 -1.663 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.696 -8.781 -1.913 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.586 -5.875 -3.043 1.00 0.00 C ATOM 0 H ILE A 41 8.499 -7.138 -0.337 1.00 0.00 H new ATOM 0 HA ILE A 41 5.808 -8.060 0.476 1.00 0.00 H new ATOM 0 HB ILE A 41 6.555 -7.714 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.290 -6.285 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.841 -5.559 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.170 -8.525 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.169 -9.756 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.987 -8.815 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.139 -4.883 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.409 -5.852 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.834 -6.588 -3.379 1.00 0.00 H new ATOM 634 N VAL A 42 6.812 -10.489 0.126 1.00 0.00 N ATOM 635 CA VAL A 42 7.365 -11.870 -0.054 1.00 0.00 C ATOM 636 C VAL A 42 6.236 -12.703 -0.754 1.00 0.00 C ATOM 637 O VAL A 42 5.244 -13.071 -0.110 1.00 0.00 O ATOM 638 CB VAL A 42 7.839 -12.562 1.277 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.697 -13.819 0.997 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.628 -11.677 2.268 1.00 0.00 C ATOM 0 H VAL A 42 5.986 -10.456 0.723 1.00 0.00 H new ATOM 0 HA VAL A 42 8.274 -11.813 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 42 6.892 -12.810 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.004 -14.268 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.111 -14.540 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.581 -13.536 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.899 -12.265 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.533 -11.307 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.010 -10.833 2.574 1.00 0.00 H new ATOM 650 N GLN A 43 6.380 -13.016 -2.056 1.00 0.00 N ATOM 651 CA GLN A 43 5.353 -13.780 -2.822 1.00 0.00 C ATOM 652 C GLN A 43 5.434 -15.322 -2.563 1.00 0.00 C ATOM 653 O GLN A 43 6.334 -16.000 -3.067 1.00 0.00 O ATOM 654 CB GLN A 43 5.523 -13.398 -4.320 1.00 0.00 C ATOM 655 CG GLN A 43 4.454 -13.992 -5.279 1.00 0.00 C ATOM 656 CD GLN A 43 4.552 -13.565 -6.753 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.551 -13.042 -7.237 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.508 -13.797 -7.513 1.00 0.00 N ATOM 0 H GLN A 43 7.197 -12.755 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 43 4.351 -13.512 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.502 -12.312 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.508 -13.725 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.518 -15.079 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.468 -13.715 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.675 -14.232 -7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.530 -13.543 -8.501 1.00 0.00 H new ATOM 667 N ASN A 44 4.474 -15.873 -1.798 1.00 0.00 N ATOM 668 CA ASN A 44 4.404 -17.338 -1.498 1.00 0.00 C ATOM 669 C ASN A 44 3.115 -17.949 -2.154 1.00 0.00 C ATOM 670 O ASN A 44 2.182 -18.376 -1.461 1.00 0.00 O ATOM 671 CB ASN A 44 4.453 -17.557 0.045 1.00 0.00 C ATOM 672 CG ASN A 44 5.712 -17.096 0.789 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.674 -17.833 0.963 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.742 -15.879 1.276 1.00 0.00 N ATOM 0 H ASN A 44 3.725 -15.331 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 44 5.262 -17.856 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.597 -17.045 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.320 -18.622 0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.560 -15.556 1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.947 -15.255 1.138 1.00 0.00 H new ATOM 681 N GLY A 45 3.057 -17.983 -3.504 1.00 0.00 N ATOM 682 CA GLY A 45 1.860 -18.461 -4.258 1.00 0.00 C ATOM 683 C GLY A 45 0.626 -17.541 -4.105 1.00 0.00 C ATOM 684 O GLY A 45 0.509 -16.523 -4.789 1.00 0.00 O ATOM 0 H GLY A 45 3.827 -17.685 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.114 -18.541 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.601 -19.463 -3.915 1.00 0.00 H new ATOM 688 N LYS A 46 -0.279 -17.915 -3.189 1.00 0.00 N ATOM 689 CA LYS A 46 -1.426 -17.055 -2.782 1.00 0.00 C ATOM 690 C LYS A 46 -1.073 -16.045 -1.629 1.00 0.00 C ATOM 691 O LYS A 46 -1.626 -14.944 -1.630 1.00 0.00 O ATOM 692 CB LYS A 46 -2.623 -17.957 -2.358 1.00 0.00 C ATOM 693 CG LYS A 46 -3.318 -18.758 -3.491 1.00 0.00 C ATOM 694 CD LYS A 46 -4.395 -19.760 -2.994 1.00 0.00 C ATOM 695 CE LYS A 46 -5.879 -19.357 -3.148 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.257 -18.221 -2.265 1.00 0.00 N ATOM 0 H LYS A 46 -0.247 -18.813 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.693 -16.448 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.269 -18.664 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.371 -17.328 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.783 -18.057 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.560 -19.305 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.247 -20.701 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.209 -19.956 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.072 -19.086 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.511 -20.216 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.197 -18.397 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.559 -18.129 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.279 -17.342 -2.821 1.00 0.00 H new ATOM 710 N HIS A 47 -0.205 -16.397 -0.654 1.00 0.00 N ATOM 711 CA HIS A 47 0.121 -15.533 0.517 1.00 0.00 C ATOM 712 C HIS A 47 1.288 -14.539 0.226 1.00 0.00 C ATOM 713 O HIS A 47 2.447 -14.924 0.050 1.00 0.00 O ATOM 714 CB HIS A 47 0.451 -16.436 1.740 1.00 0.00 C ATOM 715 CG HIS A 47 -0.757 -17.131 2.366 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.196 -18.393 2.021 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.618 -16.569 3.321 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.312 -18.482 2.810 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.671 -17.428 3.611 1.00 0.00 N ATOM 0 H HIS A 47 0.293 -17.287 -0.651 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.752 -14.918 0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.169 -17.195 1.430 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.938 -15.828 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.480 -15.597 3.771 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.909 -19.382 2.801 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.471 -17.310 4.233 1.00 0.00 H new ATOM 727 N PHE A 48 0.967 -13.242 0.207 1.00 0.00 N ATOM 728 CA PHE A 48 1.941 -12.154 -0.059 1.00 0.00 C ATOM 729 C PHE A 48 2.246 -11.443 1.295 1.00 0.00 C ATOM 730 O PHE A 48 1.436 -10.651 1.790 1.00 0.00 O ATOM 731 CB PHE A 48 1.320 -11.192 -1.105 1.00 0.00 C ATOM 732 CG PHE A 48 1.333 -11.592 -2.598 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.757 -12.783 -3.062 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.818 -10.670 -3.532 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.687 -13.050 -4.427 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.733 -10.932 -4.894 1.00 0.00 C ATOM 737 CZ PHE A 48 1.168 -12.118 -5.341 1.00 0.00 C ATOM 0 H PHE A 48 0.019 -12.904 0.376 1.00 0.00 H new ATOM 0 HA PHE A 48 2.880 -12.528 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.282 -11.023 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.835 -10.235 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.364 -13.499 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.262 -9.746 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.260 -13.979 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.107 -10.211 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.102 -12.318 -6.400 1.00 0.00 H new ATOM 747 N LYS A 49 3.413 -11.733 1.897 1.00 0.00 N ATOM 748 CA LYS A 49 3.794 -11.169 3.227 1.00 0.00 C ATOM 749 C LYS A 49 4.463 -9.784 3.072 1.00 0.00 C ATOM 750 O LYS A 49 5.558 -9.688 2.510 1.00 0.00 O ATOM 751 CB LYS A 49 4.728 -12.135 4.001 1.00 0.00 C ATOM 752 CG LYS A 49 4.096 -13.494 4.355 1.00 0.00 C ATOM 753 CD LYS A 49 5.108 -14.506 4.933 1.00 0.00 C ATOM 754 CE LYS A 49 4.657 -15.978 4.872 1.00 0.00 C ATOM 755 NZ LYS A 49 3.474 -16.254 5.737 1.00 0.00 N ATOM 0 H LYS A 49 4.115 -12.353 1.493 1.00 0.00 H new ATOM 0 HA LYS A 49 2.878 -11.046 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.623 -12.310 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.050 -11.648 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.296 -13.337 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.639 -13.918 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.049 -14.406 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.308 -14.245 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.417 -16.238 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.483 -16.620 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.544 -17.217 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.447 -15.568 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.604 -16.171 5.173 1.00 0.00 H new ATOM 769 N PHE A 50 3.811 -8.724 3.569 1.00 0.00 N ATOM 770 CA PHE A 50 4.346 -7.340 3.459 1.00 0.00 C ATOM 771 C PHE A 50 4.938 -6.748 4.771 1.00 0.00 C ATOM 772 O PHE A 50 4.480 -7.046 5.879 1.00 0.00 O ATOM 773 CB PHE A 50 3.341 -6.405 2.715 1.00 0.00 C ATOM 774 CG PHE A 50 2.010 -5.881 3.320 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.882 -5.402 4.632 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.946 -5.684 2.435 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.716 -4.766 5.049 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.226 -5.061 2.850 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.340 -4.601 4.159 1.00 0.00 C ATOM 0 H PHE A 50 2.915 -8.787 4.051 1.00 0.00 H new ATOM 0 HA PHE A 50 5.234 -7.410 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.909 -5.521 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.070 -6.924 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.698 -5.528 5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.036 -6.021 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.632 -4.401 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.046 -4.934 2.158 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.249 -4.116 4.484 1.00 0.00 H new ATOM 789 N THR A 51 5.935 -5.861 4.611 1.00 0.00 N ATOM 790 CA THR A 51 6.507 -5.059 5.740 1.00 0.00 C ATOM 791 C THR A 51 6.525 -3.583 5.218 1.00 0.00 C ATOM 792 O THR A 51 7.461 -3.173 4.521 1.00 0.00 O ATOM 793 CB THR A 51 7.894 -5.590 6.229 1.00 0.00 C ATOM 794 OG1 THR A 51 7.902 -7.007 6.400 1.00 0.00 O ATOM 795 CG2 THR A 51 8.367 -4.989 7.553 1.00 0.00 C ATOM 0 H THR A 51 6.373 -5.671 3.710 1.00 0.00 H new ATOM 0 HA THR A 51 5.903 -5.138 6.644 1.00 0.00 H new ATOM 0 HB THR A 51 8.571 -5.282 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.806 -7.350 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.336 -5.411 7.819 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.458 -3.908 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.644 -5.219 8.336 1.00 0.00 H new ATOM 803 N ILE A 52 5.476 -2.790 5.517 1.00 0.00 N ATOM 804 CA ILE A 52 5.282 -1.432 4.912 1.00 0.00 C ATOM 805 C ILE A 52 5.637 -0.288 5.910 1.00 0.00 C ATOM 806 O ILE A 52 5.176 -0.251 7.053 1.00 0.00 O ATOM 807 CB ILE A 52 3.824 -1.288 4.332 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.404 -2.396 3.319 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.521 0.096 3.695 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.289 -2.577 2.074 1.00 0.00 C ATOM 0 H ILE A 52 4.742 -3.056 6.174 1.00 0.00 H new ATOM 0 HA ILE A 52 5.981 -1.333 4.081 1.00 0.00 H new ATOM 0 HB ILE A 52 3.223 -1.404 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.370 -3.346 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.389 -2.182 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.497 0.108 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.643 0.877 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.210 0.276 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.886 -3.378 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.306 -1.649 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.303 -2.832 2.382 1.00 0.00 H new ATOM 822 N THR A 53 6.403 0.699 5.429 1.00 0.00 N ATOM 823 CA THR A 53 6.779 1.904 6.215 1.00 0.00 C ATOM 824 C THR A 53 5.769 3.069 5.955 1.00 0.00 C ATOM 825 O THR A 53 5.712 3.680 4.877 1.00 0.00 O ATOM 826 CB THR A 53 8.246 2.349 5.932 1.00 0.00 C ATOM 827 OG1 THR A 53 8.498 2.431 4.535 1.00 0.00 O ATOM 828 CG2 THR A 53 9.317 1.432 6.543 1.00 0.00 C ATOM 0 H THR A 53 6.785 0.694 4.483 1.00 0.00 H new ATOM 0 HA THR A 53 6.728 1.639 7.271 1.00 0.00 H new ATOM 0 HB THR A 53 8.325 3.326 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.640 1.531 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.307 1.815 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.197 1.404 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.207 0.425 6.140 1.00 0.00 H new ATOM 836 N ALA A 54 4.965 3.367 6.983 1.00 0.00 N ATOM 837 CA ALA A 54 4.047 4.536 7.002 1.00 0.00 C ATOM 838 C ALA A 54 4.716 5.722 7.766 1.00 0.00 C ATOM 839 O ALA A 54 4.329 6.086 8.882 1.00 0.00 O ATOM 840 CB ALA A 54 2.738 4.022 7.633 1.00 0.00 C ATOM 0 H ALA A 54 4.925 2.807 7.835 1.00 0.00 H new ATOM 0 HA ALA A 54 3.827 4.938 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.013 4.834 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.336 3.210 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.938 3.657 8.640 1.00 0.00 H new ATOM 846 N GLY A 55 5.753 6.311 7.139 1.00 0.00 N ATOM 847 CA GLY A 55 6.592 7.358 7.773 1.00 0.00 C ATOM 848 C GLY A 55 7.523 6.797 8.871 1.00 0.00 C ATOM 849 O GLY A 55 8.619 6.315 8.579 1.00 0.00 O ATOM 0 H GLY A 55 6.035 6.080 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.194 7.847 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.946 8.122 8.206 1.00 0.00 H new ATOM 853 N SER A 56 7.045 6.849 10.120 1.00 0.00 N ATOM 854 CA SER A 56 7.739 6.237 11.292 1.00 0.00 C ATOM 855 C SER A 56 7.249 4.786 11.643 1.00 0.00 C ATOM 856 O SER A 56 8.062 3.976 12.097 1.00 0.00 O ATOM 857 CB SER A 56 7.586 7.150 12.535 1.00 0.00 C ATOM 858 OG SER A 56 8.050 8.485 12.310 1.00 0.00 O ATOM 0 H SER A 56 6.169 7.312 10.361 1.00 0.00 H new ATOM 0 HA SER A 56 8.786 6.147 11.004 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.537 7.181 12.829 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.138 6.715 13.368 1.00 0.00 H new ATOM 0 HG SER A 56 7.783 9.055 13.061 1.00 0.00 H new ATOM 864 N LYS A 57 5.947 4.447 11.479 1.00 0.00 N ATOM 865 CA LYS A 57 5.402 3.112 11.852 1.00 0.00 C ATOM 866 C LYS A 57 5.650 2.004 10.774 1.00 0.00 C ATOM 867 O LYS A 57 5.352 2.174 9.587 1.00 0.00 O ATOM 868 CB LYS A 57 3.881 3.263 12.158 1.00 0.00 C ATOM 869 CG LYS A 57 3.252 2.027 12.856 1.00 0.00 C ATOM 870 CD LYS A 57 1.716 2.075 12.972 1.00 0.00 C ATOM 871 CE LYS A 57 1.171 0.806 13.660 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.313 0.785 13.620 1.00 0.00 N ATOM 0 H LYS A 57 5.249 5.081 11.089 1.00 0.00 H new ATOM 0 HA LYS A 57 5.940 2.772 12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.733 4.139 12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.350 3.450 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.535 1.130 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.677 1.934 13.855 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.418 2.957 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.276 2.172 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.566 -0.081 13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.513 0.772 14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.661 -0.076 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.685 1.621 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.634 0.795 12.631 1.00 0.00 H new ATOM 886 N VAL A 58 6.126 0.833 11.233 1.00 0.00 N ATOM 887 CA VAL A 58 6.307 -0.371 10.370 1.00 0.00 C ATOM 888 C VAL A 58 4.993 -1.224 10.486 1.00 0.00 C ATOM 889 O VAL A 58 4.728 -1.848 11.519 1.00 0.00 O ATOM 890 CB VAL A 58 7.608 -1.153 10.766 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.825 -2.406 9.890 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.907 -0.314 10.664 1.00 0.00 C ATOM 0 H VAL A 58 6.398 0.684 12.205 1.00 0.00 H new ATOM 0 HA VAL A 58 6.455 -0.100 9.325 1.00 0.00 H new ATOM 0 HB VAL A 58 7.432 -1.422 11.808 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.738 -2.914 10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.977 -3.081 10.004 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.914 -2.109 8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.760 -0.927 10.955 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.039 0.029 9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.837 0.548 11.328 1.00 0.00 H new ATOM 902 N ILE A 59 4.173 -1.231 9.422 1.00 0.00 N ATOM 903 CA ILE A 59 2.876 -1.971 9.376 1.00 0.00 C ATOM 904 C ILE A 59 3.133 -3.302 8.599 1.00 0.00 C ATOM 905 O ILE A 59 3.226 -3.311 7.365 1.00 0.00 O ATOM 906 CB ILE A 59 1.738 -1.082 8.747 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.499 0.250 9.523 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.394 -1.854 8.638 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.586 1.272 8.827 1.00 0.00 C ATOM 0 H ILE A 59 4.381 -0.726 8.561 1.00 0.00 H new ATOM 0 HA ILE A 59 2.517 -2.211 10.377 1.00 0.00 H new ATOM 0 HB ILE A 59 2.095 -0.831 7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.070 0.010 10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.465 0.720 9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.364 -1.205 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.529 -2.732 8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.073 -2.167 9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.489 2.159 9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.019 1.552 7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.398 0.831 8.667 1.00 0.00 H new ATOM 921 N GLN A 60 3.236 -4.425 9.329 1.00 0.00 N ATOM 922 CA GLN A 60 3.498 -5.761 8.734 1.00 0.00 C ATOM 923 C GLN A 60 2.265 -6.711 8.869 1.00 0.00 C ATOM 924 O GLN A 60 1.793 -7.036 9.961 1.00 0.00 O ATOM 925 CB GLN A 60 4.842 -6.342 9.251 1.00 0.00 C ATOM 926 CG GLN A 60 4.976 -6.768 10.734 1.00 0.00 C ATOM 927 CD GLN A 60 4.982 -5.625 11.759 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.945 -5.145 12.204 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.131 -5.121 12.140 1.00 0.00 N ATOM 0 H GLN A 60 3.142 -4.441 10.345 1.00 0.00 H new ATOM 0 HA GLN A 60 3.629 -5.652 7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.076 -7.214 8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.615 -5.598 9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.154 -7.442 10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.899 -7.337 10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.003 -5.509 11.779 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.153 -4.341 12.797 1.00 0.00 H new ATOM 938 N ASN A 61 1.739 -7.119 7.711 1.00 0.00 N ATOM 939 CA ASN A 61 0.561 -8.029 7.578 1.00 0.00 C ATOM 940 C ASN A 61 0.729 -8.873 6.261 1.00 0.00 C ATOM 941 O ASN A 61 1.550 -8.552 5.393 1.00 0.00 O ATOM 942 CB ASN A 61 -0.777 -7.225 7.554 1.00 0.00 C ATOM 943 CG ASN A 61 -1.260 -6.593 8.864 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.933 -7.214 9.680 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.977 -5.334 9.092 1.00 0.00 N ATOM 0 H ASN A 61 2.117 -6.828 6.810 1.00 0.00 H new ATOM 0 HA ASN A 61 0.518 -8.693 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.675 -6.429 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.561 -7.892 7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.316 -4.881 9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.418 -4.807 8.421 1.00 0.00 H new ATOM 952 N GLU A 62 -0.045 -9.964 6.089 1.00 0.00 N ATOM 953 CA GLU A 62 0.019 -10.804 4.856 1.00 0.00 C ATOM 954 C GLU A 62 -1.355 -10.935 4.141 1.00 0.00 C ATOM 955 O GLU A 62 -2.370 -11.258 4.767 1.00 0.00 O ATOM 956 CB GLU A 62 0.735 -12.150 5.131 1.00 0.00 C ATOM 957 CG GLU A 62 0.011 -13.280 5.904 1.00 0.00 C ATOM 958 CD GLU A 62 0.890 -14.513 6.041 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.111 -15.228 5.038 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.454 -14.746 7.129 1.00 0.00 O ATOM 0 H GLU A 62 -0.721 -10.290 6.779 1.00 0.00 H new ATOM 0 HA GLU A 62 0.641 -10.281 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.033 -12.560 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.651 -11.922 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.272 -12.922 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.910 -13.545 5.385 1.00 0.00 H new ATOM 967 N PHE A 63 -1.378 -10.674 2.819 1.00 0.00 N ATOM 968 CA PHE A 63 -2.613 -10.787 1.999 1.00 0.00 C ATOM 969 C PHE A 63 -2.668 -12.087 1.153 1.00 0.00 C ATOM 970 O PHE A 63 -1.721 -12.465 0.457 1.00 0.00 O ATOM 971 CB PHE A 63 -2.932 -9.514 1.181 1.00 0.00 C ATOM 972 CG PHE A 63 -1.947 -9.069 0.087 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.905 -8.187 0.385 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.114 -9.517 -1.228 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.046 -7.753 -0.623 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.269 -9.062 -2.237 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.237 -8.179 -1.931 1.00 0.00 C ATOM 0 H PHE A 63 -0.556 -10.382 2.290 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.426 -10.872 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.904 -9.660 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.039 -8.688 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.765 -7.841 1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.901 -10.218 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.769 -7.085 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.414 -9.393 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.417 -7.824 -2.714 1.00 0.00 H new ATOM 987 N THR A 64 -3.832 -12.738 1.199 1.00 0.00 N ATOM 988 CA THR A 64 -4.097 -13.998 0.468 1.00 0.00 C ATOM 989 C THR A 64 -4.858 -13.645 -0.848 1.00 0.00 C ATOM 990 O THR A 64 -5.980 -13.129 -0.822 1.00 0.00 O ATOM 991 CB THR A 64 -4.881 -14.983 1.393 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.279 -15.092 2.680 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.956 -16.411 0.838 1.00 0.00 C ATOM 0 H THR A 64 -4.629 -12.411 1.746 1.00 0.00 H new ATOM 0 HA THR A 64 -3.174 -14.507 0.192 1.00 0.00 H new ATOM 0 HB THR A 64 -5.881 -14.553 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.797 -15.715 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.514 -17.042 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.459 -16.400 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.948 -16.808 0.718 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.256 -13.926 -2.015 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.891 -13.651 -3.344 1.00 0.00 C ATOM 1003 C VAL A 65 -5.990 -14.735 -3.604 1.00 0.00 C ATOM 1004 O VAL A 65 -5.691 -15.934 -3.665 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.798 -13.578 -4.462 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.321 -13.482 -5.916 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.814 -12.397 -4.275 1.00 0.00 C ATOM 0 H VAL A 65 -3.328 -14.345 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.383 -12.679 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.302 -14.540 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.477 -13.437 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.928 -14.358 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.927 -12.583 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.082 -12.402 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.366 -11.457 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.301 -12.499 -3.319 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.261 -14.314 -3.717 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.405 -15.262 -3.878 1.00 0.00 C ATOM 1019 C GLY A 66 -9.162 -15.754 -2.614 1.00 0.00 C ATOM 1020 O GLY A 66 -10.228 -16.344 -2.782 1.00 0.00 O ATOM 0 H GLY A 66 -7.534 -13.331 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.135 -14.788 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.031 -16.142 -4.401 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.635 -15.556 -1.390 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.358 -15.864 -0.116 1.00 0.00 C ATOM 1026 C GLU A 67 -9.186 -14.699 0.922 1.00 0.00 C ATOM 1027 O GLU A 67 -8.215 -13.938 0.874 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.873 -17.227 0.464 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.473 -18.494 -0.203 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.946 -18.797 0.061 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.645 -18.025 0.753 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.402 -19.843 -0.442 1.00 0.00 O ATOM 0 H GLU A 67 -7.698 -15.179 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.423 -15.951 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.787 -17.272 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.109 -17.253 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.336 -18.404 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.889 -19.355 0.122 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.130 -14.553 1.873 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.136 -13.439 2.872 1.00 0.00 C ATOM 1041 C GLU A 68 -8.813 -13.156 3.674 1.00 0.00 C ATOM 1042 O GLU A 68 -8.180 -14.068 4.216 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.368 -13.561 3.811 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.405 -14.791 4.758 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.893 -14.519 6.174 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.048 -14.092 6.369 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.099 -14.684 7.124 1.00 0.00 O ATOM 0 H GLU A 68 -10.913 -15.197 1.979 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.209 -12.546 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.421 -12.660 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.266 -13.580 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.047 -15.551 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.402 -15.214 4.814 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.411 -11.872 3.740 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.181 -11.441 4.455 1.00 0.00 C ATOM 1056 C CYS A 69 -7.341 -10.055 5.143 1.00 0.00 C ATOM 1057 O CYS A 69 -7.634 -9.034 4.513 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.968 -11.447 3.512 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.330 -10.686 1.889 1.00 0.00 S ATOM 0 H CYS A 69 -8.922 -11.104 3.304 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.010 -12.168 5.249 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.144 -10.912 3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.636 -12.474 3.361 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.018 -9.597 2.064 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.094 -10.053 6.458 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.206 -8.852 7.329 1.00 0.00 C ATOM 1067 C GLU A 70 -5.928 -7.949 7.330 1.00 0.00 C ATOM 1068 O GLU A 70 -4.847 -8.368 7.755 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.703 -9.254 8.743 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.882 -10.328 9.486 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.328 -10.591 10.911 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.464 -11.072 11.108 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.532 -10.320 11.837 1.00 0.00 O ATOM 0 H GLU A 70 -6.806 -10.890 6.964 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.966 -8.202 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.730 -8.357 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.729 -9.611 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.936 -11.261 8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.836 -10.023 9.497 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.074 -6.693 6.873 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.956 -5.708 6.795 1.00 0.00 C ATOM 1082 C LEU A 71 -5.301 -4.407 7.589 1.00 0.00 C ATOM 1083 O LEU A 71 -6.423 -3.895 7.508 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.661 -5.349 5.307 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.300 -6.489 4.313 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.036 -5.885 2.926 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.083 -7.322 4.746 1.00 0.00 C ATOM 0 H LEU A 71 -6.966 -6.322 6.545 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.072 -6.164 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.537 -4.834 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.840 -4.633 5.298 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.151 -7.169 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.782 -6.680 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.930 -5.367 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.208 -5.179 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.891 -8.098 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.210 -6.675 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.284 -7.785 5.712 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.336 -3.838 8.336 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.545 -2.557 9.080 1.00 0.00 C ATOM 1101 C GLU A 72 -4.719 -1.320 8.128 1.00 0.00 C ATOM 1102 O GLU A 72 -4.021 -1.143 7.126 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.340 -2.377 10.045 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.498 -1.232 11.080 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.236 -0.888 11.847 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.463 -0.017 11.388 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.020 -1.418 12.957 1.00 0.00 O ATOM 0 H GLU A 72 -3.403 -4.235 8.447 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.478 -2.612 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.180 -3.312 10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.444 -2.191 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.846 -0.338 10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.275 -1.510 11.792 1.00 0.00 H new ATOM 1114 N THR A 73 -5.688 -0.476 8.489 1.00 0.00 N ATOM 1115 CA THR A 73 -6.034 0.779 7.765 1.00 0.00 C ATOM 1116 C THR A 73 -5.596 2.047 8.565 1.00 0.00 C ATOM 1117 O THR A 73 -5.366 2.024 9.779 1.00 0.00 O ATOM 1118 CB THR A 73 -7.564 0.756 7.418 1.00 0.00 C ATOM 1119 OG1 THR A 73 -8.005 1.989 6.855 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.528 0.461 8.576 1.00 0.00 C ATOM 0 H THR A 73 -6.274 -0.637 9.308 1.00 0.00 H new ATOM 0 HA THR A 73 -5.477 0.834 6.829 1.00 0.00 H new ATOM 0 HB THR A 73 -7.610 -0.076 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.694 2.383 7.430 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.554 0.473 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.304 -0.520 8.995 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.411 1.220 9.349 1.00 0.00 H new ATOM 1128 N MET A 74 -5.514 3.180 7.849 1.00 0.00 N ATOM 1129 CA MET A 74 -5.282 4.518 8.482 1.00 0.00 C ATOM 1130 C MET A 74 -6.539 4.982 9.292 1.00 0.00 C ATOM 1131 O MET A 74 -6.440 5.193 10.503 1.00 0.00 O ATOM 1132 CB MET A 74 -4.812 5.557 7.426 1.00 0.00 C ATOM 1133 CG MET A 74 -3.338 5.446 7.001 1.00 0.00 C ATOM 1134 SD MET A 74 -2.268 5.745 8.423 1.00 0.00 S ATOM 1135 CE MET A 74 -1.538 4.115 8.634 1.00 0.00 C ATOM 0 H MET A 74 -5.603 3.212 6.833 1.00 0.00 H new ATOM 0 HA MET A 74 -4.471 4.429 9.205 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.437 5.456 6.539 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.983 6.557 7.824 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.142 4.456 6.589 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.122 6.168 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.848 4.132 9.478 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.325 3.385 8.823 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.997 3.839 7.729 1.00 0.00 H new ATOM 1145 N THR A 75 -7.708 5.114 8.637 1.00 0.00 N ATOM 1146 CA THR A 75 -9.003 5.345 9.333 1.00 0.00 C ATOM 1147 C THR A 75 -9.707 3.951 9.428 1.00 0.00 C ATOM 1148 O THR A 75 -9.959 3.286 8.411 1.00 0.00 O ATOM 1149 CB THR A 75 -9.883 6.396 8.599 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.166 7.615 8.426 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.174 6.775 9.344 1.00 0.00 C ATOM 0 H THR A 75 -7.789 5.065 7.621 1.00 0.00 H new ATOM 0 HA THR A 75 -8.838 5.763 10.326 1.00 0.00 H new ATOM 0 HB THR A 75 -10.142 5.915 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.779 8.373 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.727 7.512 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.789 5.886 9.481 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.922 7.196 10.317 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.988 3.511 10.661 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.698 2.232 10.920 1.00 0.00 C ATOM 1161 C GLY A 76 -10.116 1.326 12.021 1.00 0.00 C ATOM 1162 O GLY A 76 -10.158 1.684 13.199 1.00 0.00 O ATOM 0 H GLY A 76 -9.736 4.020 11.508 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.731 2.463 11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.724 1.663 9.990 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.635 0.131 11.631 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.279 -0.964 12.572 1.00 0.00 C ATOM 1168 C GLU A 77 -8.422 -2.032 11.818 1.00 0.00 C ATOM 1169 O GLU A 77 -7.190 -2.027 11.887 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.527 -1.488 13.363 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.726 -2.165 12.634 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.340 -1.472 11.419 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.882 -1.717 10.279 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.284 -0.671 11.571 1.00 0.00 O ATOM 0 H GLU A 77 -9.479 -0.110 10.652 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.639 -0.595 13.374 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.159 -2.203 14.099 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.930 -0.640 13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.402 -3.157 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.519 -2.307 13.368 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.087 -2.927 11.075 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.459 -4.012 10.289 1.00 0.00 C ATOM 1183 C LYS A 78 -9.493 -4.496 9.230 1.00 0.00 C ATOM 1184 O LYS A 78 -10.533 -5.073 9.564 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.962 -5.155 11.224 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.631 -5.754 10.745 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.140 -6.898 11.650 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.785 -7.467 11.192 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.499 -8.707 11.957 1.00 0.00 N ATOM 0 H LYS A 78 -10.104 -2.921 10.998 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.571 -3.653 9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.842 -4.769 12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.717 -5.940 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.749 -6.125 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.874 -4.970 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.051 -6.535 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.882 -7.696 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.808 -7.681 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.995 -6.734 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.870 -9.321 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.037 -8.462 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.389 -9.209 12.151 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.202 -4.246 7.948 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.135 -4.538 6.826 1.00 0.00 C ATOM 1205 C VAL A 79 -9.855 -5.911 6.141 1.00 0.00 C ATOM 1206 O VAL A 79 -8.721 -6.192 5.736 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.106 -3.313 5.850 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.809 -3.091 5.040 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.292 -3.313 4.869 1.00 0.00 C ATOM 0 H VAL A 79 -8.317 -3.836 7.648 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.150 -4.658 7.205 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.172 -2.481 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.922 -2.212 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.974 -2.939 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.614 -3.965 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.224 -2.443 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.267 -4.222 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.227 -3.274 5.428 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.898 -6.753 5.978 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.779 -8.031 5.216 1.00 0.00 C ATOM 1221 C LYS A 80 -10.957 -7.738 3.690 1.00 0.00 C ATOM 1222 O LYS A 80 -12.060 -7.748 3.138 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.705 -9.133 5.799 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.143 -9.752 7.104 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.866 -11.028 7.565 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.185 -11.670 8.794 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.766 -13.018 9.018 1.00 0.00 N ATOM 0 H LYS A 80 -11.829 -6.580 6.358 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.780 -8.453 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.689 -8.709 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.840 -9.920 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.087 -9.980 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.202 -9.009 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.901 -10.790 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.888 -11.747 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.110 -11.745 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.332 -11.045 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.688 -13.267 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.768 -13.015 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.250 -13.718 8.447 1.00 0.00 H new ATOM 1241 N THR A 81 -9.819 -7.448 3.042 1.00 0.00 N ATOM 1242 CA THR A 81 -9.737 -6.997 1.627 1.00 0.00 C ATOM 1243 C THR A 81 -9.035 -8.089 0.766 1.00 0.00 C ATOM 1244 O THR A 81 -7.810 -8.247 0.817 1.00 0.00 O ATOM 1245 CB THR A 81 -9.027 -5.599 1.624 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.045 -4.999 0.337 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.567 -5.565 2.118 1.00 0.00 C ATOM 0 H THR A 81 -8.905 -7.519 3.489 1.00 0.00 H new ATOM 0 HA THR A 81 -10.717 -6.867 1.169 1.00 0.00 H new ATOM 0 HB THR A 81 -9.624 -5.045 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.545 -5.560 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.189 -4.544 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.523 -5.917 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.955 -6.210 1.488 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.795 -8.860 -0.035 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.187 -9.897 -0.928 1.00 0.00 C ATOM 1257 C VAL A 82 -8.624 -9.238 -2.228 1.00 0.00 C ATOM 1258 O VAL A 82 -9.234 -8.338 -2.821 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.079 -11.159 -1.145 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.275 -11.041 -2.101 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.255 -12.326 -1.704 1.00 0.00 C ATOM 0 H VAL A 82 -10.811 -8.797 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.329 -10.322 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.471 -11.307 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.798 -11.996 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.957 -10.272 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.920 -10.771 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.901 -13.192 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.819 -12.038 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.459 -12.578 -1.003 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.429 -9.676 -2.637 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.696 -9.077 -3.784 1.00 0.00 C ATOM 1273 C VAL A 83 -6.758 -10.042 -5.013 1.00 0.00 C ATOM 1274 O VAL A 83 -6.513 -11.245 -4.885 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.237 -8.693 -3.340 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.560 -7.779 -4.378 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.090 -7.974 -1.968 1.00 0.00 C ATOM 0 H VAL A 83 -6.935 -10.450 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.169 -8.149 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.763 -9.670 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.553 -7.531 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.506 -8.295 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.141 -6.863 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.037 -7.764 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.649 -7.039 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.480 -8.615 -1.178 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.102 -9.518 -6.203 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.124 -10.306 -7.472 1.00 0.00 C ATOM 1289 C GLN A 84 -5.890 -9.919 -8.346 1.00 0.00 C ATOM 1290 O GLN A 84 -5.546 -8.741 -8.489 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.460 -10.082 -8.234 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.669 -10.961 -7.816 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.160 -10.834 -6.368 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.758 -9.845 -5.959 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.938 -11.836 -5.551 1.00 0.00 N ATOM 0 H GLN A 84 -7.373 -8.542 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.061 -11.369 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.745 -9.037 -8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.275 -10.244 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.503 -10.725 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.406 -12.004 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.441 -12.663 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.262 -11.788 -4.585 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.245 -10.931 -8.945 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.997 -10.762 -9.729 1.00 0.00 C ATOM 1306 C LEU A 85 -4.190 -11.014 -11.260 1.00 0.00 C ATOM 1307 O LEU A 85 -4.665 -12.078 -11.670 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.969 -11.741 -9.087 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.561 -11.801 -9.727 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.835 -10.445 -9.728 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.690 -12.853 -9.020 1.00 0.00 C ATOM 0 H LEU A 85 -5.570 -11.897 -8.903 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.649 -9.730 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.853 -11.470 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.395 -12.744 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.715 -12.083 -10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.146 -10.558 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.421 -9.719 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.714 -10.096 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.296 -12.880 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.588 -12.593 -7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.160 -13.833 -9.108 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.756 -10.048 -12.090 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.717 -10.194 -13.573 1.00 0.00 C ATOM 1325 C GLU A 86 -2.222 -10.180 -14.054 1.00 0.00 C ATOM 1326 O GLU A 86 -1.427 -9.293 -13.711 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.555 -9.071 -14.234 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.786 -9.194 -15.763 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.382 -7.943 -16.394 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.615 -7.762 -16.322 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.618 -7.140 -16.974 1.00 0.00 O ATOM 0 H GLU A 86 -3.421 -9.142 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.157 -11.145 -13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.528 -9.036 -13.743 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.064 -8.118 -14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.836 -9.418 -16.248 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.449 -10.038 -15.955 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.859 -11.204 -14.844 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.501 -11.342 -15.466 1.00 0.00 C ATOM 1340 C GLY A 87 0.802 -11.326 -14.632 1.00 0.00 C ATOM 1341 O GLY A 87 1.855 -10.955 -15.152 1.00 0.00 O ATOM 0 H GLY A 87 -2.490 -11.970 -15.079 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.506 -12.281 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.411 -10.541 -16.200 1.00 0.00 H new ATOM 1345 N ASP A 88 0.717 -11.724 -13.361 1.00 0.00 N ATOM 1346 CA ASP A 88 1.831 -11.607 -12.362 1.00 0.00 C ATOM 1347 C ASP A 88 2.400 -10.149 -12.107 1.00 0.00 C ATOM 1348 O ASP A 88 3.533 -9.973 -11.650 1.00 0.00 O ATOM 1349 CB ASP A 88 2.885 -12.738 -12.559 1.00 0.00 C ATOM 1350 CG ASP A 88 3.735 -13.096 -11.330 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.231 -13.038 -10.185 1.00 0.00 O ATOM 1352 OD2 ASP A 88 4.914 -13.469 -11.512 1.00 0.00 O ATOM 0 H ASP A 88 -0.128 -12.144 -12.972 1.00 0.00 H new ATOM 0 HA ASP A 88 1.378 -11.786 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.365 -13.637 -12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.556 -12.444 -13.366 1.00 0.00 H new ATOM 1357 N ASN A 89 1.589 -9.094 -12.348 1.00 0.00 N ATOM 1358 CA ASN A 89 1.991 -7.674 -12.129 1.00 0.00 C ATOM 1359 C ASN A 89 0.869 -6.698 -11.637 1.00 0.00 C ATOM 1360 O ASN A 89 1.214 -5.706 -10.993 1.00 0.00 O ATOM 1361 CB ASN A 89 2.800 -7.121 -13.336 1.00 0.00 C ATOM 1362 CG ASN A 89 2.034 -6.580 -14.555 1.00 0.00 C ATOM 1363 OD1 ASN A 89 1.081 -7.164 -15.060 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.420 -5.429 -15.053 1.00 0.00 N ATOM 0 H ASN A 89 0.637 -9.196 -12.700 1.00 0.00 H new ATOM 0 HA ASN A 89 2.652 -7.712 -11.263 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.439 -6.320 -12.966 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.457 -7.917 -13.686 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.929 -5.029 -15.852 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.211 -4.935 -14.641 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.425 -6.923 -11.934 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.532 -6.006 -11.534 1.00 0.00 C ATOM 1373 C LYS A 90 -2.366 -6.618 -10.363 1.00 0.00 C ATOM 1374 O LYS A 90 -3.096 -7.595 -10.557 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.447 -5.780 -12.767 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.853 -5.025 -13.978 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.728 -5.229 -15.234 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.164 -4.657 -16.545 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.242 -3.170 -16.577 1.00 0.00 N ATOM 0 H LYS A 90 -0.741 -7.740 -12.456 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.113 -5.060 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.787 -6.755 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.330 -5.235 -12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.780 -3.962 -13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.841 -5.380 -14.173 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.894 -6.298 -15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.702 -4.776 -15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.126 -4.969 -16.661 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.717 -5.069 -17.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.636 -2.807 -17.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.225 -2.878 -16.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.919 -2.786 -15.666 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.282 -6.026 -9.164 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.048 -6.475 -7.966 1.00 0.00 C ATOM 1395 C LEU A 91 -4.210 -5.477 -7.659 1.00 0.00 C ATOM 1396 O LEU A 91 -3.962 -4.301 -7.377 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.075 -6.558 -6.762 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.109 -7.765 -6.690 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.070 -7.493 -5.594 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.812 -9.100 -6.386 1.00 0.00 C ATOM 0 H LEU A 91 -1.683 -5.220 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.487 -7.455 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.474 -5.649 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.671 -6.553 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.650 -7.867 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.620 -8.335 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.485 -6.587 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.576 -7.364 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.073 -9.901 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.320 -9.033 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.541 -9.313 -7.168 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.472 -5.942 -7.674 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.667 -5.065 -7.451 1.00 0.00 C ATOM 1414 C VAL A 92 -7.492 -5.507 -6.193 1.00 0.00 C ATOM 1415 O VAL A 92 -7.846 -6.685 -6.065 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.547 -4.941 -8.747 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.800 -4.284 -9.932 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.207 -6.245 -9.254 1.00 0.00 C ATOM 0 H VAL A 92 -5.705 -6.921 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.299 -4.062 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.350 -4.293 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.464 -4.229 -10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.485 -3.279 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.924 -4.881 -10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.788 -6.034 -10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.434 -6.978 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.865 -6.644 -8.482 1.00 0.00 H new ATOM 1428 N THR A 93 -7.824 -4.574 -5.271 1.00 0.00 N ATOM 1429 CA THR A 93 -8.652 -4.889 -4.059 1.00 0.00 C ATOM 1430 C THR A 93 -9.681 -3.762 -3.691 1.00 0.00 C ATOM 1431 O THR A 93 -9.672 -2.646 -4.228 1.00 0.00 O ATOM 1432 CB THR A 93 -7.755 -5.372 -2.870 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.543 -6.093 -1.927 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.970 -4.306 -2.084 1.00 0.00 C ATOM 0 H THR A 93 -7.538 -3.597 -5.333 1.00 0.00 H new ATOM 0 HA THR A 93 -9.292 -5.734 -4.313 1.00 0.00 H new ATOM 0 HB THR A 93 -7.002 -5.977 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.077 -6.768 -2.395 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.395 -4.787 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.292 -3.783 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.666 -3.592 -1.644 1.00 0.00 H new ATOM 1442 N THR A 94 -10.627 -4.112 -2.804 1.00 0.00 N ATOM 1443 CA THR A 94 -11.669 -3.183 -2.271 1.00 0.00 C ATOM 1444 C THR A 94 -11.374 -3.004 -0.746 1.00 0.00 C ATOM 1445 O THR A 94 -11.682 -3.886 0.062 1.00 0.00 O ATOM 1446 CB THR A 94 -13.098 -3.751 -2.548 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.312 -4.003 -3.935 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.237 -2.811 -2.122 1.00 0.00 C ATOM 0 H THR A 94 -10.701 -5.056 -2.425 1.00 0.00 H new ATOM 0 HA THR A 94 -11.637 -2.211 -2.764 1.00 0.00 H new ATOM 0 HB THR A 94 -13.125 -4.665 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.907 -3.317 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.196 -3.277 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.169 -2.619 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.154 -1.870 -2.665 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.781 -1.862 -0.363 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.345 -1.597 1.041 1.00 0.00 C ATOM 1458 C PHE A 95 -11.519 -0.969 1.891 1.00 0.00 C ATOM 1459 O PHE A 95 -12.648 -1.469 1.843 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.035 -0.760 0.847 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.978 -0.827 1.952 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.081 -1.897 1.958 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.838 0.189 2.903 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.107 -1.994 2.947 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.849 0.101 3.879 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.996 -0.999 3.913 1.00 0.00 C ATOM 0 H PHE A 95 -10.586 -1.093 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.115 -2.471 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.567 -1.080 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.320 0.284 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.144 -2.654 1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.498 1.043 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.438 -2.841 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.743 0.888 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.249 -1.080 4.689 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.298 0.101 2.686 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.394 0.812 3.425 1.00 0.00 C ATOM 1478 C LYS A 96 -13.051 1.851 2.449 1.00 0.00 C ATOM 1479 O LYS A 96 -12.727 3.042 2.474 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.824 1.506 4.699 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.191 0.631 5.808 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.145 -0.174 6.721 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.952 0.664 7.732 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.538 -0.235 8.767 1.00 0.00 N ATOM 0 H LYS A 96 -10.372 0.501 2.840 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.152 0.103 3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.070 2.223 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.633 2.078 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.509 -0.073 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.587 1.279 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.843 -0.726 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.560 -0.911 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.307 1.406 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.744 1.210 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.720 0.308 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.431 -0.635 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.872 -1.006 8.974 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.939 1.386 1.542 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.522 2.211 0.440 1.00 0.00 C ATOM 1500 C ASN A 97 -13.481 2.881 -0.548 1.00 0.00 C ATOM 1501 O ASN A 97 -13.710 3.967 -1.084 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.607 3.169 1.004 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.797 2.526 1.733 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.759 2.261 2.929 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.883 2.248 1.052 1.00 0.00 N ATOM 0 H ASN A 97 -14.278 0.424 1.547 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.018 1.517 -0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.122 3.861 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.997 3.763 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.681 1.817 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.929 2.463 0.056 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.353 2.192 -0.810 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.223 2.693 -1.648 1.00 0.00 C ATOM 1514 C ILE A 98 -10.845 1.534 -2.632 1.00 0.00 C ATOM 1515 O ILE A 98 -10.604 0.395 -2.205 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.989 3.087 -0.745 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.252 4.161 0.358 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.747 3.538 -1.558 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.537 3.872 1.691 1.00 0.00 C ATOM 0 H ILE A 98 -12.189 1.254 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.512 3.590 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.795 2.141 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.931 5.135 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.325 4.227 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.938 3.794 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.427 2.727 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -9.003 4.410 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.768 4.661 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.876 2.914 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.460 3.836 1.526 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.746 1.820 -3.943 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.282 0.812 -4.936 1.00 0.00 C ATOM 1533 C LYS A 99 -8.726 0.918 -5.079 1.00 0.00 C ATOM 1534 O LYS A 99 -8.202 1.831 -5.732 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.083 0.987 -6.252 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.843 -0.124 -7.314 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.086 -0.969 -7.683 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.747 -1.783 -6.550 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.886 -2.900 -6.077 1.00 0.00 N ATOM 0 H LYS A 99 -10.977 2.729 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.479 -0.209 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.146 1.018 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.827 1.951 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.459 0.341 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.066 -0.794 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.838 -0.299 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.801 -1.662 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.970 -1.121 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.697 -2.184 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.418 -3.487 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.595 -3.482 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.042 -2.513 -5.609 1.00 0.00 H new ATOM 1553 N SER A 100 -8.005 -0.017 -4.433 1.00 0.00 N ATOM 1554 CA SER A 100 -6.518 -0.043 -4.431 1.00 0.00 C ATOM 1555 C SER A 100 -5.960 -0.896 -5.607 1.00 0.00 C ATOM 1556 O SER A 100 -6.219 -2.100 -5.696 1.00 0.00 O ATOM 1557 CB SER A 100 -6.054 -0.554 -3.050 1.00 0.00 C ATOM 1558 OG SER A 100 -4.633 -0.465 -2.913 1.00 0.00 O ATOM 0 H SER A 100 -8.428 -0.775 -3.898 1.00 0.00 H new ATOM 0 HA SER A 100 -6.121 0.960 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.534 0.029 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.370 -1.589 -2.918 1.00 0.00 H new ATOM 0 HG SER A 100 -4.368 -0.794 -2.028 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.189 -0.248 -6.492 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.602 -0.886 -7.706 1.00 0.00 C ATOM 1566 C VAL A 101 -3.045 -0.833 -7.567 1.00 0.00 C ATOM 1567 O VAL A 101 -2.447 0.242 -7.686 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.129 -0.150 -8.993 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.489 -0.672 -10.301 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.667 -0.198 -9.175 1.00 0.00 C ATOM 0 H VAL A 101 -4.947 0.738 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.902 -1.930 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.828 0.882 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.896 -0.122 -11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.409 -0.529 -10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.710 -1.733 -10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.942 0.333 -10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.993 -1.236 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.150 0.275 -8.320 1.00 0.00 H new ATOM 1580 N THR A 102 -2.381 -1.979 -7.337 1.00 0.00 N ATOM 1581 CA THR A 102 -0.893 -2.043 -7.230 1.00 0.00 C ATOM 1582 C THR A 102 -0.299 -2.630 -8.554 1.00 0.00 C ATOM 1583 O THR A 102 -0.543 -3.806 -8.844 1.00 0.00 O ATOM 1584 CB THR A 102 -0.407 -2.837 -5.974 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.204 -2.605 -4.814 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.050 -2.527 -5.603 1.00 0.00 C ATOM 0 H THR A 102 -2.843 -2.881 -7.220 1.00 0.00 H new ATOM 0 HA THR A 102 -0.523 -1.027 -7.092 1.00 0.00 H new ATOM 0 HB THR A 102 -0.502 -3.880 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.722 -2.014 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.333 -3.106 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.702 -2.790 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.152 -1.464 -5.385 1.00 0.00 H new ATOM 1594 N GLU A 103 0.469 -1.850 -9.351 1.00 0.00 N ATOM 1595 CA GLU A 103 1.066 -2.360 -10.620 1.00 0.00 C ATOM 1596 C GLU A 103 2.622 -2.426 -10.558 1.00 0.00 C ATOM 1597 O GLU A 103 3.296 -1.470 -10.162 1.00 0.00 O ATOM 1598 CB GLU A 103 0.601 -1.519 -11.834 1.00 0.00 C ATOM 1599 CG GLU A 103 0.823 -2.230 -13.198 1.00 0.00 C ATOM 1600 CD GLU A 103 0.309 -1.471 -14.403 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.989 -0.526 -14.852 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.761 -1.843 -14.931 1.00 0.00 O ATOM 0 H GLU A 103 0.691 -0.876 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 103 0.705 -3.380 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.458 -1.287 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.137 -0.570 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.890 -2.410 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.337 -3.205 -13.166 1.00 0.00 H new ATOM 1609 N LEU A 104 3.181 -3.554 -11.017 1.00 0.00 N ATOM 1610 CA LEU A 104 4.648 -3.766 -11.102 1.00 0.00 C ATOM 1611 C LEU A 104 5.111 -3.577 -12.585 1.00 0.00 C ATOM 1612 O LEU A 104 4.747 -4.360 -13.470 1.00 0.00 O ATOM 1613 CB LEU A 104 4.997 -5.171 -10.525 1.00 0.00 C ATOM 1614 CG LEU A 104 6.268 -5.261 -9.643 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.513 -6.728 -9.273 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.546 -4.713 -10.294 1.00 0.00 C ATOM 0 H LEU A 104 2.635 -4.352 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 104 5.187 -3.032 -10.503 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.148 -5.518 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.111 -5.863 -11.359 1.00 0.00 H new ATOM 0 HG LEU A 104 6.069 -4.634 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.406 -6.802 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.655 -7.113 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.653 -7.314 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.381 -4.819 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.758 -5.271 -11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.408 -3.659 -10.537 1.00 0.00 H new ATOM 1628 N ASN A 105 5.901 -2.530 -12.870 1.00 0.00 N ATOM 1629 CA ASN A 105 6.414 -2.254 -14.245 1.00 0.00 C ATOM 1630 C ASN A 105 7.926 -2.641 -14.317 1.00 0.00 C ATOM 1631 O ASN A 105 8.815 -1.805 -14.125 1.00 0.00 O ATOM 1632 CB ASN A 105 6.101 -0.773 -14.600 1.00 0.00 C ATOM 1633 CG ASN A 105 4.652 -0.507 -15.036 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.325 -0.563 -16.215 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.750 -0.229 -14.123 1.00 0.00 N ATOM 0 H ASN A 105 6.206 -1.852 -12.172 1.00 0.00 H new ATOM 0 HA ASN A 105 5.919 -2.863 -15.002 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.325 -0.151 -13.733 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.770 -0.457 -15.400 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.782 -0.061 -14.397 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.017 -0.181 -13.140 1.00 0.00 H new ATOM 1642 N GLY A 106 8.211 -3.933 -14.579 1.00 0.00 N ATOM 1643 CA GLY A 106 9.603 -4.466 -14.601 1.00 0.00 C ATOM 1644 C GLY A 106 10.160 -4.699 -13.181 1.00 0.00 C ATOM 1645 O GLY A 106 9.872 -5.726 -12.566 1.00 0.00 O ATOM 0 H GLY A 106 7.498 -4.634 -14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.622 -5.404 -15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.249 -3.768 -15.133 1.00 0.00 H new ATOM 1649 N ASP A 107 10.930 -3.723 -12.679 1.00 0.00 N ATOM 1650 CA ASP A 107 11.422 -3.716 -11.264 1.00 0.00 C ATOM 1651 C ASP A 107 11.075 -2.387 -10.481 1.00 0.00 C ATOM 1652 O ASP A 107 11.800 -1.964 -9.572 1.00 0.00 O ATOM 1653 CB ASP A 107 12.929 -4.099 -11.250 1.00 0.00 C ATOM 1654 CG ASP A 107 13.239 -5.576 -11.522 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.631 -6.461 -10.876 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.114 -5.853 -12.366 1.00 0.00 O ATOM 0 H ASP A 107 11.236 -2.917 -13.224 1.00 0.00 H new ATOM 0 HA ASP A 107 10.880 -4.474 -10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.446 -3.494 -11.995 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.345 -3.832 -10.278 1.00 0.00 H new ATOM 1661 N ILE A 108 9.931 -1.743 -10.794 1.00 0.00 N ATOM 1662 CA ILE A 108 9.406 -0.549 -10.075 1.00 0.00 C ATOM 1663 C ILE A 108 7.893 -0.811 -9.789 1.00 0.00 C ATOM 1664 O ILE A 108 7.123 -1.137 -10.702 1.00 0.00 O ATOM 1665 CB ILE A 108 9.704 0.829 -10.744 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.928 1.130 -12.048 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.213 1.109 -10.941 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.635 1.927 -11.815 1.00 0.00 C ATOM 0 H ILE A 108 9.332 -2.038 -11.565 1.00 0.00 H new ATOM 0 HA ILE A 108 9.953 -0.438 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 108 9.316 1.526 -10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.573 1.688 -12.726 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.683 0.190 -12.542 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.344 2.084 -11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.714 1.103 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.646 0.338 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.140 2.104 -12.770 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.971 1.361 -11.161 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.875 2.882 -11.348 1.00 0.00 H new ATOM 1680 N ILE A 109 7.459 -0.668 -8.531 1.00 0.00 N ATOM 1681 CA ILE A 109 6.043 -0.901 -8.128 1.00 0.00 C ATOM 1682 C ILE A 109 5.290 0.436 -7.858 1.00 0.00 C ATOM 1683 O ILE A 109 5.822 1.348 -7.213 1.00 0.00 O ATOM 1684 CB ILE A 109 5.999 -1.912 -6.926 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.601 -2.568 -6.767 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.470 -1.312 -5.572 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.593 -3.833 -5.894 1.00 0.00 C ATOM 0 H ILE A 109 8.065 -0.390 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 109 5.500 -1.360 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 109 6.722 -2.683 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.917 -1.838 -6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.216 -2.820 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.409 -2.074 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.501 -0.970 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.831 -0.470 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.579 -4.228 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.249 -4.583 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.945 -3.586 -4.892 1.00 0.00 H new ATOM 1699 N THR A 110 4.035 0.536 -8.328 1.00 0.00 N ATOM 1700 CA THR A 110 3.161 1.706 -8.036 1.00 0.00 C ATOM 1701 C THR A 110 1.895 1.264 -7.257 1.00 0.00 C ATOM 1702 O THR A 110 1.173 0.385 -7.725 1.00 0.00 O ATOM 1703 CB THR A 110 2.842 2.544 -9.311 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.502 3.884 -8.948 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.724 2.044 -10.232 1.00 0.00 C ATOM 0 H THR A 110 3.595 -0.175 -8.913 1.00 0.00 H new ATOM 0 HA THR A 110 3.713 2.384 -7.385 1.00 0.00 H new ATOM 0 HB THR A 110 3.766 2.455 -9.882 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.543 3.979 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.615 2.726 -11.075 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.973 1.049 -10.600 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.787 2.001 -9.677 1.00 0.00 H new ATOM 1713 N ASN A 111 1.601 1.883 -6.105 1.00 0.00 N ATOM 1714 CA ASN A 111 0.363 1.583 -5.330 1.00 0.00 C ATOM 1715 C ASN A 111 -0.625 2.771 -5.504 1.00 0.00 C ATOM 1716 O ASN A 111 -0.413 3.844 -4.931 1.00 0.00 O ATOM 1717 CB ASN A 111 0.718 1.266 -3.856 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.436 0.586 -3.114 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.805 -0.544 -3.413 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.075 1.245 -2.181 1.00 0.00 N ATOM 0 H ASN A 111 2.195 2.595 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.135 0.689 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.596 0.621 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.984 2.190 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.872 0.818 -1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.776 2.186 -1.925 1.00 0.00 H new ATOM 1727 N THR A 112 -1.684 2.568 -6.304 1.00 0.00 N ATOM 1728 CA THR A 112 -2.674 3.631 -6.634 1.00 0.00 C ATOM 1729 C THR A 112 -4.004 3.401 -5.847 1.00 0.00 C ATOM 1730 O THR A 112 -4.849 2.585 -6.232 1.00 0.00 O ATOM 1731 CB THR A 112 -2.863 3.666 -8.183 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.608 3.692 -8.860 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.629 4.894 -8.687 1.00 0.00 C ATOM 0 H THR A 112 -1.886 1.670 -6.743 1.00 0.00 H new ATOM 0 HA THR A 112 -2.314 4.611 -6.322 1.00 0.00 H new ATOM 0 HB THR A 112 -3.432 2.761 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.759 3.712 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.720 4.846 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.623 4.911 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.090 5.799 -8.407 1.00 0.00 H new ATOM 1741 N MET A 113 -4.184 4.135 -4.739 1.00 0.00 N ATOM 1742 CA MET A 113 -5.419 4.079 -3.909 1.00 0.00 C ATOM 1743 C MET A 113 -6.444 5.139 -4.410 1.00 0.00 C ATOM 1744 O MET A 113 -6.328 6.341 -4.146 1.00 0.00 O ATOM 1745 CB MET A 113 -5.064 4.255 -2.413 1.00 0.00 C ATOM 1746 CG MET A 113 -4.526 2.987 -1.728 1.00 0.00 C ATOM 1747 SD MET A 113 -4.509 3.225 0.058 1.00 0.00 S ATOM 1748 CE MET A 113 -4.535 1.502 0.581 1.00 0.00 C ATOM 0 H MET A 113 -3.484 4.787 -4.385 1.00 0.00 H new ATOM 0 HA MET A 113 -5.890 3.101 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.319 5.046 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.953 4.591 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.149 2.131 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.520 2.768 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.528 1.452 1.670 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.436 1.020 0.201 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.657 0.989 0.189 1.00 0.00 H new ATOM 1758 N THR A 114 -7.456 4.656 -5.142 1.00 0.00 N ATOM 1759 CA THR A 114 -8.490 5.518 -5.778 1.00 0.00 C ATOM 1760 C THR A 114 -9.757 5.644 -4.871 1.00 0.00 C ATOM 1761 O THR A 114 -10.504 4.681 -4.662 1.00 0.00 O ATOM 1762 CB THR A 114 -8.824 5.030 -7.223 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.360 3.712 -7.235 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.647 5.033 -8.211 1.00 0.00 C ATOM 0 H THR A 114 -7.591 3.660 -5.317 1.00 0.00 H new ATOM 0 HA THR A 114 -8.081 6.523 -5.879 1.00 0.00 H new ATOM 0 HB THR A 114 -9.553 5.769 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.711 3.091 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.987 4.677 -9.183 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.259 6.047 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.859 4.378 -7.840 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.974 6.848 -4.319 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.163 7.176 -3.481 1.00 0.00 C ATOM 1774 C LEU A 115 -12.044 8.211 -4.254 1.00 0.00 C ATOM 1775 O LEU A 115 -11.998 9.418 -3.988 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.617 7.634 -2.097 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.629 8.162 -1.045 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.693 7.126 -0.641 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.871 8.637 0.206 1.00 0.00 C ATOM 0 H LEU A 115 -9.333 7.633 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.830 6.336 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.086 6.792 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.881 8.418 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.162 8.990 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.366 7.564 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.263 6.828 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.205 6.251 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.583 9.007 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.310 7.804 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.183 9.437 -0.067 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.832 7.726 -5.238 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.681 8.596 -6.104 1.00 0.00 C ATOM 1793 C GLY A 116 -12.882 9.516 -7.053 1.00 0.00 C ATOM 1794 O GLY A 116 -12.463 9.102 -8.136 1.00 0.00 O ATOM 0 H GLY A 116 -12.903 6.733 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.341 7.964 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.317 9.212 -5.469 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.676 10.754 -6.598 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.825 11.765 -7.297 1.00 0.00 C ATOM 1800 C ASP A 117 -10.328 11.782 -6.807 1.00 0.00 C ATOM 1801 O ASP A 117 -9.434 12.170 -7.564 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.464 13.169 -7.116 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.810 13.380 -7.812 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.823 13.601 -9.041 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.854 13.332 -7.127 1.00 0.00 O ATOM 0 H ASP A 117 -13.089 11.101 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.789 11.485 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.594 13.354 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.763 13.917 -7.486 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.043 11.376 -5.551 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.678 11.368 -4.961 1.00 0.00 C ATOM 1812 C ILE A 118 -7.881 10.113 -5.467 1.00 0.00 C ATOM 1813 O ILE A 118 -8.287 8.970 -5.228 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.770 11.368 -3.393 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.715 12.396 -2.693 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.363 11.435 -2.748 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.290 13.874 -2.697 1.00 0.00 C ATOM 0 H ILE A 118 -10.759 11.040 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.147 12.266 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.263 10.413 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.695 12.327 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.839 12.085 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.460 11.433 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.778 10.571 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.860 12.348 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.040 14.470 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.330 13.978 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.199 14.224 -3.725 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.715 10.333 -6.095 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.858 9.226 -6.622 1.00 0.00 C ATOM 1831 C VAL A 119 -4.515 9.219 -5.817 1.00 0.00 C ATOM 1832 O VAL A 119 -3.541 9.861 -6.220 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.704 9.376 -8.180 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.813 8.284 -8.811 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.046 9.349 -8.958 1.00 0.00 C ATOM 0 H VAL A 119 -6.332 11.264 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.310 8.245 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.242 10.358 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.748 8.445 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.815 8.332 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.247 7.303 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.850 9.458 -10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.552 8.401 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.679 10.169 -8.619 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.439 8.503 -4.673 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.186 8.408 -3.864 1.00 0.00 C ATOM 1847 C PHE A 120 -2.187 7.400 -4.512 1.00 0.00 C ATOM 1848 O PHE A 120 -2.325 6.185 -4.350 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.541 8.119 -2.375 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.376 7.758 -1.422 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.172 8.473 -1.454 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.476 6.635 -0.592 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.073 8.034 -0.726 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.376 6.202 0.146 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.173 6.900 0.074 1.00 0.00 C ATOM 0 H PHE A 120 -5.224 7.981 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.657 9.361 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.046 8.997 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.260 7.300 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.097 9.372 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.412 6.101 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.861 8.574 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.456 5.326 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.683 6.561 0.639 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.169 7.927 -5.212 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.202 7.085 -5.963 1.00 0.00 C ATOM 1867 C LYS A 121 1.245 7.092 -5.378 1.00 0.00 C ATOM 1868 O LYS A 121 1.959 8.097 -5.438 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.257 7.540 -7.446 1.00 0.00 C ATOM 1870 CG LYS A 121 0.450 6.591 -8.438 1.00 0.00 C ATOM 1871 CD LYS A 121 0.337 7.111 -9.881 1.00 0.00 C ATOM 1872 CE LYS A 121 1.026 6.175 -10.885 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.892 6.754 -12.247 1.00 0.00 N ATOM 0 H LYS A 121 -0.988 8.929 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.494 6.039 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.301 7.641 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.194 8.529 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.501 6.493 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.009 5.596 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.715 7.217 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.784 8.103 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.078 6.054 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.573 5.184 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.355 6.129 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.116 6.848 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.343 7.691 -12.272 1.00 0.00 H new ATOM 1887 N ARG A 122 1.692 5.941 -4.850 1.00 0.00 N ATOM 1888 CA ARG A 122 3.125 5.726 -4.494 1.00 0.00 C ATOM 1889 C ARG A 122 3.912 5.164 -5.730 1.00 0.00 C ATOM 1890 O ARG A 122 3.351 4.487 -6.599 1.00 0.00 O ATOM 1891 CB ARG A 122 3.248 4.742 -3.296 1.00 0.00 C ATOM 1892 CG ARG A 122 3.136 5.366 -1.884 1.00 0.00 C ATOM 1893 CD ARG A 122 3.587 4.356 -0.813 1.00 0.00 C ATOM 1894 NE ARG A 122 3.720 4.976 0.530 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.314 4.400 1.578 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.769 3.170 1.581 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.466 5.104 2.660 1.00 0.00 N ATOM 0 H ARG A 122 1.091 5.140 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 122 3.555 6.685 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.474 3.981 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.208 4.231 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.750 6.265 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.107 5.671 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.868 3.538 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.543 3.922 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 122 3.329 5.909 0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.679 2.591 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.213 2.793 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.135 6.068 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.916 4.692 3.477 1.00 0.00 H new ATOM 1911 N ILE A 123 5.221 5.456 -5.801 1.00 0.00 N ATOM 1912 CA ILE A 123 6.136 4.924 -6.854 1.00 0.00 C ATOM 1913 C ILE A 123 7.421 4.469 -6.075 1.00 0.00 C ATOM 1914 O ILE A 123 8.203 5.309 -5.613 1.00 0.00 O ATOM 1915 CB ILE A 123 6.420 5.947 -8.020 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.163 6.448 -8.806 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.403 5.344 -9.060 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.457 7.689 -8.225 1.00 0.00 C ATOM 0 H ILE A 123 5.687 6.069 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 123 5.686 4.090 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 123 6.841 6.808 -7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.464 6.671 -9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.441 5.633 -8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.583 6.069 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.346 5.101 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.971 4.439 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.601 7.946 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.116 7.473 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.154 8.527 -8.202 1.00 0.00 H new ATOM 1930 N SER A 124 7.638 3.147 -5.946 1.00 0.00 N ATOM 1931 CA SER A 124 8.773 2.565 -5.170 1.00 0.00 C ATOM 1932 C SER A 124 9.629 1.591 -6.042 1.00 0.00 C ATOM 1933 O SER A 124 9.090 0.765 -6.784 1.00 0.00 O ATOM 1934 CB SER A 124 8.184 1.839 -3.931 1.00 0.00 C ATOM 1935 OG SER A 124 7.476 2.734 -3.066 1.00 0.00 O ATOM 0 H SER A 124 7.036 2.443 -6.374 1.00 0.00 H new ATOM 0 HA SER A 124 9.446 3.362 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.511 1.048 -4.261 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.990 1.361 -3.375 1.00 0.00 H new ATOM 0 HG SER A 124 6.663 2.296 -2.737 1.00 0.00 H new ATOM 1941 N LYS A 125 10.973 1.662 -5.961 1.00 0.00 N ATOM 1942 CA LYS A 125 11.873 0.794 -6.771 1.00 0.00 C ATOM 1943 C LYS A 125 12.367 -0.470 -5.999 1.00 0.00 C ATOM 1944 O LYS A 125 12.802 -0.377 -4.849 1.00 0.00 O ATOM 1945 CB LYS A 125 13.033 1.686 -7.282 1.00 0.00 C ATOM 1946 CG LYS A 125 13.996 0.938 -8.233 1.00 0.00 C ATOM 1947 CD LYS A 125 14.806 1.864 -9.161 1.00 0.00 C ATOM 1948 CE LYS A 125 15.342 1.161 -10.425 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.372 0.132 -10.100 1.00 0.00 N ATOM 0 H LYS A 125 11.466 2.309 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 125 11.324 0.378 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.618 2.551 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.595 2.065 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.688 0.342 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.420 0.243 -8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.178 2.703 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.646 2.279 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.515 0.690 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.771 1.903 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.705 -0.315 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.174 0.584 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.956 -0.591 -9.479 1.00 0.00 H new ATOM 1963 N ARG A 126 12.376 -1.634 -6.679 1.00 0.00 N ATOM 1964 CA ARG A 126 12.797 -2.934 -6.093 1.00 0.00 C ATOM 1965 C ARG A 126 14.287 -2.995 -5.635 1.00 0.00 C ATOM 1966 O ARG A 126 15.214 -2.747 -6.415 1.00 0.00 O ATOM 1967 CB ARG A 126 12.500 -3.998 -7.180 1.00 0.00 C ATOM 1968 CG ARG A 126 12.431 -5.461 -6.688 1.00 0.00 C ATOM 1969 CD ARG A 126 12.262 -6.401 -7.891 1.00 0.00 C ATOM 1970 NE ARG A 126 11.886 -7.780 -7.497 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.479 -8.719 -8.352 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.488 -8.586 -9.661 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.049 -9.839 -7.851 1.00 0.00 N ATOM 0 H ARG A 126 12.091 -1.705 -7.656 1.00 0.00 H new ATOM 0 HA ARG A 126 12.244 -3.105 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.551 -3.749 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.269 -3.929 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.339 -5.714 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.597 -5.584 -5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.499 -5.998 -8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.194 -6.431 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 126 11.942 -8.026 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.822 -7.720 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.161 -9.349 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.032 -9.972 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.728 -10.584 -8.469 1.00 0.00 H new ATOM 1987 N ILE A 127 14.473 -3.311 -4.350 1.00 0.00 N ATOM 1988 CA ILE A 127 15.800 -3.422 -3.688 1.00 0.00 C ATOM 1989 C ILE A 127 15.832 -4.767 -2.869 1.00 0.00 C ATOM 1990 O ILE A 127 16.945 -5.168 -2.463 1.00 0.00 O ATOM 1991 CB ILE A 127 16.084 -2.059 -2.929 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.559 -0.944 -3.912 1.00 0.00 C ATOM 1993 CG2 ILE A 127 17.049 -2.169 -1.727 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.640 0.488 -3.355 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.792 -5.445 -2.653 1.00 0.00 O ATOM 0 H ILE A 127 13.696 -3.503 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 127 16.648 -3.520 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 127 15.120 -1.781 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.545 -1.219 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.885 -0.937 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.180 -1.186 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.634 -2.856 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 127 18.014 -2.543 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 127 16.983 1.164 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.654 0.801 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.341 0.515 -2.521 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.911 10.118 14.509 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.782 11.103 15.270 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.965 9.899 13.873 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.689 9.250 14.238 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.912 9.562 12.939 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.550 9.000 11.656 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.770 9.335 10.370 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.438 8.574 10.226 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.722 8.879 8.899 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.375 8.140 8.799 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.355 8.482 7.518 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.367 7.783 6.377 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.346 6.473 6.094 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.025 5.890 4.718 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.639 4.537 4.403 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.348 4.124 2.949 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.951 2.768 2.549 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.660 2.439 1.070 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.386 1.184 0.555 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.715 -0.135 0.963 1.00 0.00 C HETATM 0 H183 OLA A 128 0.682 -0.205 2.050 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.300 -0.165 0.567 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.286 -0.973 0.562 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.443 1.230 -0.533 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.410 1.190 0.928 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.414 2.303 0.943 1.00 0.00 H new HETATM 0 H161 OLA A 128 0.948 3.291 0.455 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.028 2.783 2.715 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.542 1.984 3.186 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.731 4.087 2.802 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.734 4.893 2.280 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.715 4.607 4.560 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.267 3.774 5.086 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.107 5.771 4.667 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.254 6.607 3.946 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.423 6.631 6.140 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.096 5.751 6.871 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.730 10.248 14.377 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.938 9.403 7.526 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.545 7.064 8.845 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.248 8.401 9.654 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.556 9.953 8.813 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.360 8.587 8.065 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.627 7.503 10.295 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.783 8.836 11.057 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.568 10.406 10.349 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.399 9.112 9.508 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.564 9.390 11.566 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.632 7.917 11.747 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.902 9.162 13.031 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.819 10.643 12.838 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.008 8.208 14.206 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.004 9.348 15.080 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.954 8.201 5.559 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.762 1.225 -1.838 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.844 1.477 -0.611 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.260 1.996 -2.684 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.527 -0.213 -2.284 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.389 -0.960 -1.557 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.364 -2.466 -1.875 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.261 -3.258 -1.136 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.850 -3.059 -1.717 1.00 0.00 C HETATM 2069 C7 OLA A 129 -0.261 -3.702 -0.871 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.642 -3.513 -1.531 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.780 -4.025 -0.674 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.408 -3.370 0.311 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.124 -1.979 0.848 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.475 -2.023 2.247 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.407 -0.640 2.923 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.921 -0.714 4.386 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.784 0.639 5.127 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.053 1.523 5.181 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.089 2.628 4.107 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.453 3.324 4.004 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.217 2.590 3.748 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.699 3.786 4.960 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.413 4.091 3.231 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.325 3.371 4.334 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.835 2.194 3.140 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.932 0.888 5.065 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.121 1.985 6.166 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.463 0.438 6.149 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.988 1.211 4.650 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.613 -1.343 4.946 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.952 -1.213 4.401 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.737 0.005 2.354 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.394 -0.178 2.895 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.041 -2.704 2.883 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.467 -2.429 2.161 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.465 -1.451 0.159 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.054 -1.412 0.897 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.968 1.730 -3.581 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.126 -5.038 -0.881 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.798 -2.454 -1.738 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.655 -4.031 -2.490 1.00 0.00 H new HETATM 0 H72 OLA A 129 -0.057 -4.765 -0.745 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.267 -3.259 0.125 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.652 -1.991 -1.810 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.818 -3.478 -2.723 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.508 -4.319 -1.166 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.256 -2.961 -0.087 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.230 -2.596 -2.949 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.334 -2.894 -1.621 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.500 -0.822 -0.481 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.433 -0.518 -1.838 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.312 -0.212 -3.353 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.452 -0.773 -2.145 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.229 -3.905 0.789 1.00 0.00 H new