USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 951 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl -163:sc= -0.901 (180deg=-1.67) USER MOD Set 1.2: A 84 GLN : amide:sc=-0.00772 K(o=-0.91,f=-3.3!) USER MOD Single : A 1 MET CE :methyl 175:sc= -2.8 (180deg=-2.87!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0708 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.331 K(o=0.33,f=-6.3!) USER MOD Single : A 17 SER OG : rot 88:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0.245 (180deg=0.0468) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 140:sc= -0.12 (180deg=-0.811) USER MOD Single : A 35 THR OG1 : rot -171:sc= 0.63 USER MOD Single : A 41 ASN : amide:sc=-0.00407 X(o=-0.0041,f=-0.0041) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.312 F(o=-4.8!,f=-0.31) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= -0.199 (180deg=-0.327) USER MOD Single : A 78 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.8) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -102:sc= -1.25 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -162:sc= -0.194 (180deg=-0.711) USER MOD Single : A 90 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.07) USER MOD Single : A 97 MET CE :methyl -152:sc=-0.000762 (180deg=-0.171) USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00229 USER MOD Single : A 119 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-1.3) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= 0.82 (180deg=0.614) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.080 -1.699 -0.364 1.00 1.11 N ATOM 2 CA MET A 1 -12.902 -1.011 -0.955 1.00 5.51 C ATOM 3 C MET A 1 -12.609 -1.577 -2.379 1.00 1.33 C ATOM 4 O MET A 1 -13.420 -2.325 -2.935 1.00 5.42 O ATOM 5 CB MET A 1 -11.672 -1.186 -0.010 1.00 31.03 C ATOM 6 CG MET A 1 -10.654 -0.030 -0.035 1.00 14.34 C ATOM 7 SD MET A 1 -8.962 -0.580 0.252 1.00 41.45 S ATOM 8 CE MET A 1 -9.141 -1.645 1.678 1.00 63.04 C ATOM 0 H1 MET A 1 -14.767 -0.991 -0.035 1.00 1.11 H new ATOM 0 H2 MET A 1 -14.525 -2.305 -1.083 1.00 1.11 H new ATOM 0 H3 MET A 1 -13.774 -2.283 0.440 1.00 1.11 H new ATOM 0 HA MET A 1 -13.110 0.054 -1.057 1.00 5.51 H new ATOM 0 HB2 MET A 1 -12.033 -1.308 1.011 1.00 31.03 H new ATOM 0 HB3 MET A 1 -11.157 -2.108 -0.278 1.00 31.03 H new ATOM 0 HG2 MET A 1 -10.708 0.474 -1.000 1.00 14.34 H new ATOM 0 HG3 MET A 1 -10.926 0.704 0.724 1.00 14.34 H new ATOM 0 HE1 MET A 1 -8.185 -2.118 1.902 1.00 63.04 H new ATOM 0 HE2 MET A 1 -9.463 -1.054 2.535 1.00 63.04 H new ATOM 0 HE3 MET A 1 -9.885 -2.413 1.467 1.00 63.04 H new ATOM 20 N ARG A 2 -11.449 -1.202 -2.964 1.00 61.33 N ATOM 21 CA ARG A 2 -10.997 -1.709 -4.284 1.00 12.44 C ATOM 22 C ARG A 2 -10.233 -3.058 -4.120 1.00 31.44 C ATOM 23 O ARG A 2 -9.635 -3.314 -3.067 1.00 30.12 O ATOM 24 CB ARG A 2 -10.073 -0.648 -4.955 1.00 3.42 C ATOM 25 CG ARG A 2 -10.018 -0.698 -6.499 1.00 13.50 C ATOM 26 CD ARG A 2 -11.273 -0.095 -7.147 1.00 21.04 C ATOM 27 NE ARG A 2 -11.226 -0.177 -8.613 1.00 53.21 N ATOM 28 CZ ARG A 2 -11.854 0.623 -9.448 1.00 24.12 C ATOM 29 NH1 ARG A 2 -12.575 1.617 -9.026 1.00 73.51 N ATOM 30 NH2 ARG A 2 -11.736 0.430 -10.719 1.00 73.32 N ATOM 0 H ARG A 2 -10.800 -0.541 -2.537 1.00 61.33 H new ATOM 0 HA ARG A 2 -11.868 -1.885 -4.915 1.00 12.44 H new ATOM 0 HB2 ARG A 2 -10.408 0.344 -4.652 1.00 3.42 H new ATOM 0 HB3 ARG A 2 -9.062 -0.775 -4.568 1.00 3.42 H new ATOM 0 HG2 ARG A 2 -9.137 -0.158 -6.847 1.00 13.50 H new ATOM 0 HG3 ARG A 2 -9.906 -1.733 -6.823 1.00 13.50 H new ATOM 0 HD2 ARG A 2 -12.157 -0.618 -6.782 1.00 21.04 H new ATOM 0 HD3 ARG A 2 -11.372 0.948 -6.845 1.00 21.04 H new ATOM 0 HE ARG A 2 -10.657 -0.919 -9.019 1.00 53.21 H new ATOM 0 HH11 ARG A 2 -12.665 1.793 -8.025 1.00 73.51 H new ATOM 0 HH12 ARG A 2 -13.051 2.222 -9.695 1.00 73.51 H new ATOM 0 HH21 ARG A 2 -11.160 -0.337 -11.067 1.00 73.32 H new ATOM 0 HH22 ARG A 2 -12.218 1.044 -11.375 1.00 73.32 H new ATOM 44 N SER A 3 -10.258 -3.908 -5.164 1.00 11.43 N ATOM 45 CA SER A 3 -9.503 -5.191 -5.186 1.00 13.43 C ATOM 46 C SER A 3 -8.002 -4.963 -5.491 1.00 62.13 C ATOM 47 O SER A 3 -7.647 -4.010 -6.195 1.00 12.00 O ATOM 48 CB SER A 3 -10.100 -6.141 -6.244 1.00 3.15 C ATOM 49 OG SER A 3 -9.987 -5.599 -7.548 1.00 75.14 O ATOM 0 H SER A 3 -10.795 -3.734 -6.013 1.00 11.43 H new ATOM 0 HA SER A 3 -9.589 -5.639 -4.196 1.00 13.43 H new ATOM 0 HB2 SER A 3 -9.588 -7.102 -6.202 1.00 3.15 H new ATOM 0 HB3 SER A 3 -11.149 -6.329 -6.016 1.00 3.15 H new ATOM 0 HG SER A 3 -10.372 -6.224 -8.197 1.00 75.14 H new ATOM 55 N ALA A 4 -7.137 -5.873 -4.993 1.00 60.20 N ATOM 56 CA ALA A 4 -5.667 -5.780 -5.175 1.00 63.22 C ATOM 57 C ALA A 4 -5.252 -5.822 -6.664 1.00 34.54 C ATOM 58 O ALA A 4 -4.541 -4.934 -7.139 1.00 50.30 O ATOM 59 CB ALA A 4 -4.960 -6.901 -4.391 1.00 73.53 C ATOM 0 H ALA A 4 -7.433 -6.689 -4.457 1.00 60.20 H new ATOM 0 HA ALA A 4 -5.356 -4.812 -4.783 1.00 63.22 H new ATOM 0 HB1 ALA A 4 -3.882 -6.821 -4.533 1.00 73.53 H new ATOM 0 HB2 ALA A 4 -5.194 -6.807 -3.331 1.00 73.53 H new ATOM 0 HB3 ALA A 4 -5.303 -7.870 -4.753 1.00 73.53 H new ATOM 65 N THR A 5 -5.738 -6.843 -7.393 1.00 42.42 N ATOM 66 CA THR A 5 -5.349 -7.076 -8.810 1.00 41.12 C ATOM 67 C THR A 5 -5.780 -5.936 -9.751 1.00 73.11 C ATOM 68 O THR A 5 -5.035 -5.600 -10.666 1.00 21.43 O ATOM 69 CB THR A 5 -5.872 -8.446 -9.359 1.00 22.31 C ATOM 70 OG1 THR A 5 -5.646 -8.568 -10.774 1.00 31.45 O ATOM 71 CG2 THR A 5 -7.349 -8.690 -9.035 1.00 10.35 C ATOM 0 H THR A 5 -6.403 -7.526 -7.030 1.00 42.42 H new ATOM 0 HA THR A 5 -4.259 -7.103 -8.798 1.00 41.12 H new ATOM 0 HB THR A 5 -5.295 -9.215 -8.845 1.00 22.31 H new ATOM 0 HG1 THR A 5 -5.982 -9.434 -11.085 1.00 31.45 H new ATOM 0 HG21 THR A 5 -7.656 -9.654 -9.440 1.00 10.35 H new ATOM 0 HG22 THR A 5 -7.489 -8.689 -7.954 1.00 10.35 H new ATOM 0 HG23 THR A 5 -7.954 -7.900 -9.480 1.00 10.35 H new ATOM 79 N ASP A 6 -6.957 -5.328 -9.510 1.00 31.34 N ATOM 80 CA ASP A 6 -7.447 -4.191 -10.329 1.00 3.23 C ATOM 81 C ASP A 6 -6.534 -2.943 -10.156 1.00 40.42 C ATOM 82 O ASP A 6 -6.317 -2.176 -11.101 1.00 0.20 O ATOM 83 CB ASP A 6 -8.915 -3.860 -9.966 1.00 53.33 C ATOM 84 CG ASP A 6 -9.554 -2.849 -10.932 1.00 10.05 C ATOM 85 OD1 ASP A 6 -9.977 -3.257 -12.035 1.00 73.02 O ATOM 86 OD2 ASP A 6 -9.613 -1.648 -10.608 1.00 1.40 O ATOM 0 H ASP A 6 -7.589 -5.601 -8.757 1.00 31.34 H new ATOM 0 HA ASP A 6 -7.410 -4.483 -11.378 1.00 3.23 H new ATOM 0 HB2 ASP A 6 -9.501 -4.779 -9.969 1.00 53.33 H new ATOM 0 HB3 ASP A 6 -8.953 -3.461 -8.952 1.00 53.33 H new ATOM 91 N LEU A 7 -6.015 -2.761 -8.929 1.00 34.43 N ATOM 92 CA LEU A 7 -5.014 -1.716 -8.614 1.00 11.21 C ATOM 93 C LEU A 7 -3.655 -1.996 -9.301 1.00 15.44 C ATOM 94 O LEU A 7 -2.980 -1.062 -9.730 1.00 71.11 O ATOM 95 CB LEU A 7 -4.850 -1.602 -7.082 1.00 23.34 C ATOM 96 CG LEU A 7 -6.126 -1.133 -6.313 1.00 31.30 C ATOM 97 CD1 LEU A 7 -5.974 -1.314 -4.794 1.00 74.34 C ATOM 98 CD2 LEU A 7 -6.484 0.326 -6.662 1.00 42.34 C ATOM 0 H LEU A 7 -6.275 -3.332 -8.125 1.00 34.43 H new ATOM 0 HA LEU A 7 -5.374 -0.765 -9.006 1.00 11.21 H new ATOM 0 HB2 LEU A 7 -4.545 -2.573 -6.691 1.00 23.34 H new ATOM 0 HB3 LEU A 7 -4.040 -0.905 -6.870 1.00 23.34 H new ATOM 0 HG LEU A 7 -6.950 -1.769 -6.638 1.00 31.30 H new ATOM 0 HD11 LEU A 7 -6.882 -0.976 -4.295 1.00 74.34 H new ATOM 0 HD12 LEU A 7 -5.806 -2.367 -4.568 1.00 74.34 H new ATOM 0 HD13 LEU A 7 -5.126 -0.727 -4.441 1.00 74.34 H new ATOM 0 HD21 LEU A 7 -7.376 0.623 -6.111 1.00 42.34 H new ATOM 0 HD22 LEU A 7 -5.655 0.979 -6.390 1.00 42.34 H new ATOM 0 HD23 LEU A 7 -6.674 0.408 -7.732 1.00 42.34 H new ATOM 110 N LEU A 8 -3.262 -3.288 -9.400 1.00 32.24 N ATOM 111 CA LEU A 8 -2.052 -3.704 -10.169 1.00 44.25 C ATOM 112 C LEU A 8 -2.256 -3.502 -11.687 1.00 3.13 C ATOM 113 O LEU A 8 -1.320 -3.116 -12.379 1.00 11.54 O ATOM 114 CB LEU A 8 -1.629 -5.179 -9.867 1.00 21.43 C ATOM 115 CG LEU A 8 -0.710 -5.393 -8.618 1.00 61.41 C ATOM 116 CD1 LEU A 8 -1.414 -5.012 -7.305 1.00 23.11 C ATOM 117 CD2 LEU A 8 -0.170 -6.839 -8.562 1.00 33.13 C ATOM 0 H LEU A 8 -3.760 -4.062 -8.960 1.00 32.24 H new ATOM 0 HA LEU A 8 -1.239 -3.058 -9.837 1.00 44.25 H new ATOM 0 HB2 LEU A 8 -2.533 -5.774 -9.733 1.00 21.43 H new ATOM 0 HB3 LEU A 8 -1.114 -5.574 -10.743 1.00 21.43 H new ATOM 0 HG LEU A 8 0.139 -4.719 -8.731 1.00 61.41 H new ATOM 0 HD11 LEU A 8 -0.736 -5.178 -6.467 1.00 23.11 H new ATOM 0 HD12 LEU A 8 -1.700 -3.961 -7.337 1.00 23.11 H new ATOM 0 HD13 LEU A 8 -2.305 -5.627 -7.178 1.00 23.11 H new ATOM 0 HD21 LEU A 8 0.465 -6.957 -7.684 1.00 33.13 H new ATOM 0 HD22 LEU A 8 -1.005 -7.537 -8.502 1.00 33.13 H new ATOM 0 HD23 LEU A 8 0.412 -7.045 -9.460 1.00 33.13 H new ATOM 129 N ASP A 9 -3.482 -3.759 -12.190 1.00 11.23 N ATOM 130 CA ASP A 9 -3.840 -3.501 -13.607 1.00 53.42 C ATOM 131 C ASP A 9 -3.728 -1.993 -13.914 1.00 33.21 C ATOM 132 O ASP A 9 -3.264 -1.600 -14.982 1.00 12.41 O ATOM 133 CB ASP A 9 -5.278 -4.001 -13.931 1.00 63.32 C ATOM 134 CG ASP A 9 -5.454 -5.527 -13.814 1.00 33.32 C ATOM 135 OD1 ASP A 9 -4.610 -6.278 -14.343 1.00 71.32 O ATOM 136 OD2 ASP A 9 -6.453 -5.983 -13.213 1.00 62.12 O ATOM 0 H ASP A 9 -4.245 -4.147 -11.636 1.00 11.23 H new ATOM 0 HA ASP A 9 -3.141 -4.054 -14.235 1.00 53.42 H new ATOM 0 HB2 ASP A 9 -5.982 -3.512 -13.257 1.00 63.32 H new ATOM 0 HB3 ASP A 9 -5.539 -3.692 -14.943 1.00 63.32 H new ATOM 141 N GLU A 10 -4.146 -1.169 -12.940 1.00 4.40 N ATOM 142 CA GLU A 10 -4.047 0.300 -13.012 1.00 21.44 C ATOM 143 C GLU A 10 -2.568 0.780 -12.936 1.00 35.43 C ATOM 144 O GLU A 10 -2.186 1.739 -13.614 1.00 55.04 O ATOM 145 CB GLU A 10 -4.908 0.936 -11.881 1.00 43.31 C ATOM 146 CG GLU A 10 -4.901 2.483 -11.817 1.00 23.54 C ATOM 147 CD GLU A 10 -5.640 3.215 -12.962 1.00 40.53 C ATOM 148 OE1 GLU A 10 -5.344 2.971 -14.156 1.00 0.04 O ATOM 149 OE2 GLU A 10 -6.485 4.090 -12.668 1.00 43.04 O ATOM 0 H GLU A 10 -4.566 -1.505 -12.073 1.00 4.40 H new ATOM 0 HA GLU A 10 -4.433 0.628 -13.977 1.00 21.44 H new ATOM 0 HB2 GLU A 10 -5.938 0.601 -12.003 1.00 43.31 H new ATOM 0 HB3 GLU A 10 -4.558 0.550 -10.923 1.00 43.31 H new ATOM 0 HG2 GLU A 10 -5.346 2.789 -10.870 1.00 23.54 H new ATOM 0 HG3 GLU A 10 -3.865 2.821 -11.806 1.00 23.54 H new ATOM 156 N LEU A 11 -1.744 0.096 -12.113 1.00 31.33 N ATOM 157 CA LEU A 11 -0.280 0.346 -12.014 1.00 60.24 C ATOM 158 C LEU A 11 0.438 0.080 -13.358 1.00 21.15 C ATOM 159 O LEU A 11 1.271 0.878 -13.796 1.00 31.22 O ATOM 160 CB LEU A 11 0.335 -0.543 -10.886 1.00 73.41 C ATOM 161 CG LEU A 11 0.062 -0.071 -9.419 1.00 74.35 C ATOM 162 CD1 LEU A 11 0.439 -1.158 -8.378 1.00 53.24 C ATOM 163 CD2 LEU A 11 0.799 1.258 -9.138 1.00 11.10 C ATOM 0 H LEU A 11 -2.071 -0.647 -11.496 1.00 31.33 H new ATOM 0 HA LEU A 11 -0.135 1.398 -11.767 1.00 60.24 H new ATOM 0 HB2 LEU A 11 -0.050 -1.557 -10.999 1.00 73.41 H new ATOM 0 HB3 LEU A 11 1.413 -0.593 -11.036 1.00 73.41 H new ATOM 0 HG LEU A 11 -1.010 0.099 -9.318 1.00 74.35 H new ATOM 0 HD11 LEU A 11 0.233 -0.787 -7.374 1.00 53.24 H new ATOM 0 HD12 LEU A 11 -0.150 -2.057 -8.561 1.00 53.24 H new ATOM 0 HD13 LEU A 11 1.499 -1.395 -8.467 1.00 53.24 H new ATOM 0 HD21 LEU A 11 0.600 1.575 -8.114 1.00 11.10 H new ATOM 0 HD22 LEU A 11 1.871 1.115 -9.272 1.00 11.10 H new ATOM 0 HD23 LEU A 11 0.446 2.023 -9.829 1.00 11.10 H new ATOM 175 N ASN A 12 0.097 -1.052 -14.004 1.00 54.14 N ATOM 176 CA ASN A 12 0.657 -1.434 -15.323 1.00 74.14 C ATOM 177 C ASN A 12 0.008 -0.637 -16.487 1.00 71.12 C ATOM 178 O ASN A 12 0.577 -0.565 -17.582 1.00 13.42 O ATOM 179 CB ASN A 12 0.510 -2.961 -15.564 1.00 4.13 C ATOM 180 CG ASN A 12 1.343 -3.801 -14.586 1.00 32.51 C ATOM 181 OD1 ASN A 12 2.547 -3.897 -14.725 1.00 1.05 O ATOM 182 ND2 ASN A 12 0.717 -4.450 -13.621 1.00 44.44 N ATOM 0 H ASN A 12 -0.571 -1.727 -13.632 1.00 54.14 H new ATOM 0 HA ASN A 12 1.717 -1.181 -15.305 1.00 74.14 H new ATOM 0 HB2 ASN A 12 -0.540 -3.239 -15.472 1.00 4.13 H new ATOM 0 HB3 ASN A 12 0.813 -3.194 -16.585 1.00 4.13 H new ATOM 0 HD21 ASN A 12 1.244 -5.042 -12.979 1.00 44.44 H new ATOM 0 HD22 ASN A 12 -0.294 -4.359 -13.517 1.00 44.44 H new ATOM 189 N ALA A 13 -1.189 -0.056 -16.251 1.00 30.12 N ATOM 190 CA ALA A 13 -1.874 0.815 -17.238 1.00 63.21 C ATOM 191 C ALA A 13 -1.168 2.179 -17.358 1.00 61.43 C ATOM 192 O ALA A 13 -0.832 2.623 -18.461 1.00 44.31 O ATOM 193 CB ALA A 13 -3.348 1.022 -16.851 1.00 71.45 C ATOM 0 H ALA A 13 -1.706 -0.175 -15.380 1.00 30.12 H new ATOM 0 HA ALA A 13 -1.830 0.315 -18.206 1.00 63.21 H new ATOM 0 HB1 ALA A 13 -3.831 1.663 -17.588 1.00 71.45 H new ATOM 0 HB2 ALA A 13 -3.855 0.058 -16.821 1.00 71.45 H new ATOM 0 HB3 ALA A 13 -3.404 1.492 -15.869 1.00 71.45 H new ATOM 199 N VAL A 14 -0.950 2.838 -16.206 1.00 3.10 N ATOM 200 CA VAL A 14 -0.299 4.162 -16.157 1.00 62.52 C ATOM 201 C VAL A 14 1.239 4.036 -16.295 1.00 13.30 C ATOM 202 O VAL A 14 1.818 2.971 -16.057 1.00 15.44 O ATOM 203 CB VAL A 14 -0.659 4.946 -14.836 1.00 12.44 C ATOM 204 CG1 VAL A 14 -2.198 5.091 -14.670 1.00 21.23 C ATOM 205 CG2 VAL A 14 -0.016 4.293 -13.582 1.00 40.31 C ATOM 0 H VAL A 14 -1.216 2.474 -15.291 1.00 3.10 H new ATOM 0 HA VAL A 14 -0.682 4.732 -17.004 1.00 62.52 H new ATOM 0 HB VAL A 14 -0.237 5.947 -14.929 1.00 12.44 H new ATOM 0 HG11 VAL A 14 -2.415 5.635 -13.751 1.00 21.23 H new ATOM 0 HG12 VAL A 14 -2.606 5.637 -15.520 1.00 21.23 H new ATOM 0 HG13 VAL A 14 -2.654 4.102 -14.622 1.00 21.23 H new ATOM 0 HG21 VAL A 14 -0.289 4.864 -12.694 1.00 40.31 H new ATOM 0 HG22 VAL A 14 -0.376 3.269 -13.480 1.00 40.31 H new ATOM 0 HG23 VAL A 14 1.069 4.287 -13.690 1.00 40.31 H new ATOM 215 N ASP A 15 1.879 5.134 -16.692 1.00 45.11 N ATOM 216 CA ASP A 15 3.350 5.206 -16.855 1.00 23.34 C ATOM 217 C ASP A 15 4.064 5.603 -15.535 1.00 14.14 C ATOM 218 O ASP A 15 5.258 5.329 -15.368 1.00 14.51 O ATOM 219 CB ASP A 15 3.692 6.216 -17.975 1.00 62.21 C ATOM 220 CG ASP A 15 3.059 5.842 -19.325 1.00 20.11 C ATOM 221 OD1 ASP A 15 1.879 6.186 -19.557 1.00 23.54 O ATOM 222 OD2 ASP A 15 3.735 5.194 -20.158 1.00 41.21 O ATOM 0 H ASP A 15 1.401 6.007 -16.913 1.00 45.11 H new ATOM 0 HA ASP A 15 3.709 4.214 -17.127 1.00 23.34 H new ATOM 0 HB2 ASP A 15 3.350 7.208 -17.681 1.00 62.21 H new ATOM 0 HB3 ASP A 15 4.775 6.273 -18.089 1.00 62.21 H new ATOM 227 N GLU A 16 3.325 6.253 -14.600 1.00 43.30 N ATOM 228 CA GLU A 16 3.878 6.775 -13.311 1.00 13.41 C ATOM 229 C GLU A 16 2.829 6.667 -12.167 1.00 1.53 C ATOM 230 O GLU A 16 1.632 6.859 -12.396 1.00 22.11 O ATOM 231 CB GLU A 16 4.329 8.265 -13.451 1.00 32.14 C ATOM 232 CG GLU A 16 5.518 8.507 -14.404 1.00 13.32 C ATOM 233 CD GLU A 16 5.876 9.994 -14.562 1.00 64.43 C ATOM 234 OE1 GLU A 16 5.302 10.666 -15.446 1.00 10.44 O ATOM 235 OE2 GLU A 16 6.729 10.498 -13.799 1.00 73.14 O ATOM 0 H GLU A 16 2.327 6.433 -14.713 1.00 43.30 H new ATOM 0 HA GLU A 16 4.744 6.161 -13.064 1.00 13.41 H new ATOM 0 HB2 GLU A 16 3.480 8.853 -13.799 1.00 32.14 H new ATOM 0 HB3 GLU A 16 4.594 8.642 -12.463 1.00 32.14 H new ATOM 0 HG2 GLU A 16 6.389 7.968 -14.031 1.00 13.32 H new ATOM 0 HG3 GLU A 16 5.281 8.091 -15.383 1.00 13.32 H new ATOM 242 N SER A 17 3.303 6.381 -10.935 1.00 23.23 N ATOM 243 CA SER A 17 2.440 6.262 -9.724 1.00 15.02 C ATOM 244 C SER A 17 1.966 7.645 -9.198 1.00 21.23 C ATOM 245 O SER A 17 2.783 8.472 -8.776 1.00 62.13 O ATOM 246 CB SER A 17 3.183 5.487 -8.600 1.00 35.10 C ATOM 247 OG SER A 17 2.540 5.625 -7.340 1.00 43.12 O ATOM 0 H SER A 17 4.293 6.225 -10.745 1.00 23.23 H new ATOM 0 HA SER A 17 1.551 5.705 -10.020 1.00 15.02 H new ATOM 0 HB2 SER A 17 3.239 4.431 -8.864 1.00 35.10 H new ATOM 0 HB3 SER A 17 4.208 5.851 -8.525 1.00 35.10 H new ATOM 0 HG SER A 17 1.861 4.925 -7.241 1.00 43.12 H new ATOM 253 N ALA A 18 0.638 7.870 -9.236 1.00 75.30 N ATOM 254 CA ALA A 18 -0.012 9.105 -8.734 1.00 31.43 C ATOM 255 C ALA A 18 -0.688 8.886 -7.343 1.00 74.40 C ATOM 256 O ALA A 18 -0.355 9.566 -6.364 1.00 55.23 O ATOM 257 CB ALA A 18 -1.044 9.584 -9.774 1.00 21.52 C ATOM 0 H ALA A 18 -0.024 7.195 -9.619 1.00 75.30 H new ATOM 0 HA ALA A 18 0.753 9.868 -8.593 1.00 31.43 H new ATOM 0 HB1 ALA A 18 -1.528 10.492 -9.415 1.00 21.52 H new ATOM 0 HB2 ALA A 18 -0.540 9.791 -10.718 1.00 21.52 H new ATOM 0 HB3 ALA A 18 -1.795 8.808 -9.926 1.00 21.52 H new ATOM 263 N ARG A 19 -1.645 7.931 -7.277 1.00 62.24 N ATOM 264 CA ARG A 19 -2.462 7.650 -6.049 1.00 14.13 C ATOM 265 C ARG A 19 -2.202 6.241 -5.462 1.00 3.42 C ATOM 266 O ARG A 19 -2.652 5.932 -4.352 1.00 2.21 O ATOM 267 CB ARG A 19 -3.974 7.749 -6.391 1.00 4.13 C ATOM 268 CG ARG A 19 -4.492 9.153 -6.763 1.00 33.41 C ATOM 269 CD ARG A 19 -6.001 9.130 -7.097 1.00 1.03 C ATOM 270 NE ARG A 19 -6.819 8.561 -5.994 1.00 73.34 N ATOM 271 CZ ARG A 19 -7.641 7.527 -6.090 1.00 41.51 C ATOM 272 NH1 ARG A 19 -7.760 6.862 -7.192 1.00 13.34 N ATOM 273 NH2 ARG A 19 -8.333 7.162 -5.063 1.00 53.31 N ATOM 0 H ARG A 19 -1.880 7.329 -8.066 1.00 62.24 H new ATOM 0 HA ARG A 19 -2.168 8.392 -5.307 1.00 14.13 H new ATOM 0 HB2 ARG A 19 -4.183 7.074 -7.221 1.00 4.13 H new ATOM 0 HB3 ARG A 19 -4.544 7.388 -5.535 1.00 4.13 H new ATOM 0 HG2 ARG A 19 -4.312 9.839 -5.936 1.00 33.41 H new ATOM 0 HG3 ARG A 19 -3.934 9.533 -7.619 1.00 33.41 H new ATOM 0 HD2 ARG A 19 -6.338 10.144 -7.309 1.00 1.03 H new ATOM 0 HD3 ARG A 19 -6.161 8.545 -8.003 1.00 1.03 H new ATOM 0 HE ARG A 19 -6.740 9.007 -5.080 1.00 73.34 H new ATOM 0 HH11 ARG A 19 -7.214 7.130 -8.011 1.00 13.34 H new ATOM 0 HH12 ARG A 19 -8.399 6.069 -7.243 1.00 13.34 H new ATOM 0 HH21 ARG A 19 -8.245 7.669 -4.182 1.00 53.31 H new ATOM 0 HH22 ARG A 19 -8.967 6.366 -5.132 1.00 53.31 H new ATOM 287 N ILE A 20 -1.531 5.384 -6.237 1.00 74.23 N ATOM 288 CA ILE A 20 -1.419 3.932 -5.956 1.00 51.50 C ATOM 289 C ILE A 20 0.057 3.488 -6.021 1.00 35.35 C ATOM 290 O ILE A 20 0.694 3.647 -7.061 1.00 43.43 O ATOM 291 CB ILE A 20 -2.255 3.106 -7.020 1.00 50.33 C ATOM 292 CG1 ILE A 20 -3.739 3.609 -7.096 1.00 55.30 C ATOM 293 CG2 ILE A 20 -2.200 1.586 -6.725 1.00 60.32 C ATOM 294 CD1 ILE A 20 -4.568 2.998 -8.211 1.00 22.42 C ATOM 0 H ILE A 20 -1.043 5.671 -7.086 1.00 74.23 H new ATOM 0 HA ILE A 20 -1.811 3.744 -4.956 1.00 51.50 H new ATOM 0 HB ILE A 20 -1.796 3.273 -7.994 1.00 50.33 H new ATOM 0 HG12 ILE A 20 -4.227 3.399 -6.144 1.00 55.30 H new ATOM 0 HG13 ILE A 20 -3.734 4.692 -7.219 1.00 55.30 H new ATOM 0 HG21 ILE A 20 -2.783 1.049 -7.473 1.00 60.32 H new ATOM 0 HG22 ILE A 20 -1.165 1.246 -6.759 1.00 60.32 H new ATOM 0 HG23 ILE A 20 -2.613 1.392 -5.735 1.00 60.32 H new ATOM 0 HD11 ILE A 20 -5.577 3.408 -8.181 1.00 22.42 H new ATOM 0 HD12 ILE A 20 -4.111 3.230 -9.173 1.00 22.42 H new ATOM 0 HD13 ILE A 20 -4.612 1.917 -8.081 1.00 22.42 H new ATOM 306 N GLU A 21 0.592 2.919 -4.928 1.00 31.13 N ATOM 307 CA GLU A 21 1.982 2.397 -4.896 1.00 63.01 C ATOM 308 C GLU A 21 2.007 0.935 -4.395 1.00 42.44 C ATOM 309 O GLU A 21 1.296 0.579 -3.455 1.00 52.42 O ATOM 310 CB GLU A 21 2.883 3.287 -3.993 1.00 2.41 C ATOM 311 CG GLU A 21 4.360 2.816 -3.891 1.00 63.15 C ATOM 312 CD GLU A 21 5.222 3.594 -2.881 1.00 64.02 C ATOM 313 OE1 GLU A 21 4.680 4.112 -1.891 1.00 34.24 O ATOM 314 OE2 GLU A 21 6.462 3.648 -3.048 1.00 63.33 O ATOM 0 H GLU A 21 0.087 2.805 -4.049 1.00 31.13 H new ATOM 0 HA GLU A 21 2.374 2.423 -5.913 1.00 63.01 H new ATOM 0 HB2 GLU A 21 2.866 4.307 -4.377 1.00 2.41 H new ATOM 0 HB3 GLU A 21 2.455 3.317 -2.991 1.00 2.41 H new ATOM 0 HG2 GLU A 21 4.371 1.761 -3.619 1.00 63.15 H new ATOM 0 HG3 GLU A 21 4.820 2.896 -4.876 1.00 63.15 H new ATOM 321 N ALA A 22 2.842 0.103 -5.039 1.00 44.11 N ATOM 322 CA ALA A 22 3.069 -1.298 -4.643 1.00 65.51 C ATOM 323 C ALA A 22 4.287 -1.424 -3.695 1.00 70.42 C ATOM 324 O ALA A 22 5.232 -0.631 -3.768 1.00 53.24 O ATOM 325 CB ALA A 22 3.269 -2.149 -5.894 1.00 11.02 C ATOM 0 H ALA A 22 3.383 0.386 -5.856 1.00 44.11 H new ATOM 0 HA ALA A 22 2.195 -1.655 -4.098 1.00 65.51 H new ATOM 0 HB1 ALA A 22 3.437 -3.186 -5.605 1.00 11.02 H new ATOM 0 HB2 ALA A 22 2.380 -2.087 -6.522 1.00 11.02 H new ATOM 0 HB3 ALA A 22 4.132 -1.782 -6.449 1.00 11.02 H new ATOM 331 N LYS A 23 4.262 -2.454 -2.832 1.00 2.13 N ATOM 332 CA LYS A 23 5.276 -2.688 -1.776 1.00 42.22 C ATOM 333 C LYS A 23 5.602 -4.197 -1.664 1.00 14.24 C ATOM 334 O LYS A 23 4.705 -5.041 -1.764 1.00 11.34 O ATOM 335 CB LYS A 23 4.755 -2.206 -0.392 1.00 63.11 C ATOM 336 CG LYS A 23 4.451 -0.694 -0.246 1.00 2.40 C ATOM 337 CD LYS A 23 5.704 0.190 -0.442 1.00 14.33 C ATOM 338 CE LYS A 23 5.524 1.614 0.109 1.00 42.22 C ATOM 339 NZ LYS A 23 6.753 2.431 -0.066 1.00 45.21 N ATOM 0 H LYS A 23 3.527 -3.161 -2.844 1.00 2.13 H new ATOM 0 HA LYS A 23 6.169 -2.128 -2.052 1.00 42.22 H new ATOM 0 HB2 LYS A 23 3.845 -2.759 -0.161 1.00 63.11 H new ATOM 0 HB3 LYS A 23 5.493 -2.478 0.362 1.00 63.11 H new ATOM 0 HG2 LYS A 23 3.693 -0.408 -0.975 1.00 2.40 H new ATOM 0 HG3 LYS A 23 4.030 -0.506 0.742 1.00 2.40 H new ATOM 0 HD2 LYS A 23 6.555 -0.280 0.051 1.00 14.33 H new ATOM 0 HD3 LYS A 23 5.942 0.244 -1.504 1.00 14.33 H new ATOM 0 HE2 LYS A 23 4.690 2.098 -0.399 1.00 42.22 H new ATOM 0 HE3 LYS A 23 5.267 1.565 1.167 1.00 42.22 H new ATOM 0 HZ1 LYS A 23 6.715 3.255 0.567 1.00 45.21 H new ATOM 0 HZ2 LYS A 23 7.588 1.855 0.164 1.00 45.21 H new ATOM 0 HZ3 LYS A 23 6.817 2.755 -1.052 1.00 45.21 H new ATOM 353 N ARG A 24 6.885 -4.518 -1.440 1.00 63.31 N ATOM 354 CA ARG A 24 7.337 -5.892 -1.104 1.00 42.15 C ATOM 355 C ARG A 24 7.207 -6.154 0.422 1.00 4.31 C ATOM 356 O ARG A 24 7.121 -5.210 1.217 1.00 55.31 O ATOM 357 CB ARG A 24 8.798 -6.087 -1.587 1.00 45.31 C ATOM 358 CG ARG A 24 8.962 -5.982 -3.127 1.00 70.11 C ATOM 359 CD ARG A 24 10.428 -5.975 -3.587 1.00 31.23 C ATOM 360 NE ARG A 24 11.164 -4.806 -3.069 1.00 71.52 N ATOM 361 CZ ARG A 24 12.219 -4.259 -3.623 1.00 2.31 C ATOM 362 NH1 ARG A 24 12.677 -4.666 -4.766 1.00 23.44 N ATOM 363 NH2 ARG A 24 12.786 -3.261 -3.036 1.00 40.03 N ATOM 0 H ARG A 24 7.644 -3.838 -1.485 1.00 63.31 H new ATOM 0 HA ARG A 24 6.701 -6.616 -1.614 1.00 42.15 H new ATOM 0 HB2 ARG A 24 9.432 -5.339 -1.111 1.00 45.31 H new ATOM 0 HB3 ARG A 24 9.154 -7.063 -1.258 1.00 45.31 H new ATOM 0 HG2 ARG A 24 8.446 -6.819 -3.598 1.00 70.11 H new ATOM 0 HG3 ARG A 24 8.476 -5.071 -3.475 1.00 70.11 H new ATOM 0 HD2 ARG A 24 10.918 -6.889 -3.252 1.00 31.23 H new ATOM 0 HD3 ARG A 24 10.466 -5.974 -4.676 1.00 31.23 H new ATOM 0 HE ARG A 24 10.822 -4.387 -2.204 1.00 71.52 H new ATOM 0 HH11 ARG A 24 12.214 -5.431 -5.258 1.00 23.44 H new ATOM 0 HH12 ARG A 24 13.500 -4.222 -5.173 1.00 23.44 H new ATOM 0 HH21 ARG A 24 12.413 -2.909 -2.154 1.00 40.03 H new ATOM 0 HH22 ARG A 24 13.608 -2.824 -3.453 1.00 40.03 H new ATOM 377 N ALA A 25 7.188 -7.445 0.816 1.00 4.15 N ATOM 378 CA ALA A 25 7.015 -7.872 2.237 1.00 71.12 C ATOM 379 C ALA A 25 8.089 -7.287 3.206 1.00 74.34 C ATOM 380 O ALA A 25 7.807 -7.067 4.387 1.00 70.33 O ATOM 381 CB ALA A 25 6.995 -9.409 2.318 1.00 0.43 C ATOM 0 H ALA A 25 7.291 -8.225 0.167 1.00 4.15 H new ATOM 0 HA ALA A 25 6.061 -7.465 2.572 1.00 71.12 H new ATOM 0 HB1 ALA A 25 6.869 -9.717 3.356 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.168 -9.794 1.722 1.00 0.43 H new ATOM 0 HB3 ALA A 25 7.935 -9.806 1.934 1.00 0.43 H new ATOM 387 N SER A 26 9.306 -7.035 2.692 1.00 62.22 N ATOM 388 CA SER A 26 10.437 -6.493 3.501 1.00 12.45 C ATOM 389 C SER A 26 10.375 -4.948 3.681 1.00 70.52 C ATOM 390 O SER A 26 11.104 -4.387 4.509 1.00 1.42 O ATOM 391 CB SER A 26 11.781 -6.880 2.841 1.00 0.43 C ATOM 392 OG SER A 26 11.881 -8.284 2.649 1.00 12.10 O ATOM 0 H SER A 26 9.543 -7.196 1.713 1.00 62.22 H new ATOM 0 HA SER A 26 10.354 -6.934 4.494 1.00 12.45 H new ATOM 0 HB2 SER A 26 11.876 -6.373 1.881 1.00 0.43 H new ATOM 0 HB3 SER A 26 12.606 -6.537 3.465 1.00 0.43 H new ATOM 0 HG SER A 26 12.740 -8.496 2.229 1.00 12.10 H new ATOM 398 N ASP A 27 9.498 -4.268 2.912 1.00 30.34 N ATOM 399 CA ASP A 27 9.403 -2.780 2.894 1.00 43.24 C ATOM 400 C ASP A 27 8.560 -2.230 4.086 1.00 20.22 C ATOM 401 O ASP A 27 8.531 -1.011 4.322 1.00 64.24 O ATOM 402 CB ASP A 27 8.797 -2.326 1.532 1.00 23.31 C ATOM 403 CG ASP A 27 9.066 -0.843 1.202 1.00 41.44 C ATOM 404 OD1 ASP A 27 10.106 -0.547 0.573 1.00 60.52 O ATOM 405 OD2 ASP A 27 8.252 0.029 1.573 1.00 42.51 O ATOM 0 H ASP A 27 8.836 -4.726 2.286 1.00 30.34 H new ATOM 0 HA ASP A 27 10.406 -2.370 3.007 1.00 43.24 H new ATOM 0 HB2 ASP A 27 9.207 -2.947 0.736 1.00 23.31 H new ATOM 0 HB3 ASP A 27 7.721 -2.497 1.547 1.00 23.31 H new ATOM 410 N MET A 28 7.897 -3.145 4.827 1.00 63.11 N ATOM 411 CA MET A 28 7.003 -2.809 5.968 1.00 35.41 C ATOM 412 C MET A 28 7.679 -1.883 7.012 1.00 70.52 C ATOM 413 O MET A 28 8.659 -2.268 7.656 1.00 2.32 O ATOM 414 CB MET A 28 6.508 -4.113 6.656 1.00 74.24 C ATOM 415 CG MET A 28 5.609 -4.984 5.767 1.00 74.10 C ATOM 416 SD MET A 28 4.117 -4.119 5.236 1.00 43.23 S ATOM 417 CE MET A 28 3.345 -3.724 6.807 1.00 53.35 C ATOM 0 H MET A 28 7.965 -4.148 4.652 1.00 63.11 H new ATOM 0 HA MET A 28 6.157 -2.259 5.557 1.00 35.41 H new ATOM 0 HB2 MET A 28 7.373 -4.699 6.966 1.00 74.24 H new ATOM 0 HB3 MET A 28 5.961 -3.849 7.561 1.00 74.24 H new ATOM 0 HG2 MET A 28 6.171 -5.304 4.890 1.00 74.10 H new ATOM 0 HG3 MET A 28 5.328 -5.885 6.312 1.00 74.10 H new ATOM 0 HE1 MET A 28 2.298 -3.469 6.644 1.00 53.35 H new ATOM 0 HE2 MET A 28 3.409 -4.586 7.471 1.00 53.35 H new ATOM 0 HE3 MET A 28 3.858 -2.877 7.262 1.00 53.35 H new ATOM 427 N GLY A 29 7.145 -0.655 7.152 1.00 24.43 N ATOM 428 CA GLY A 29 7.657 0.327 8.118 1.00 72.33 C ATOM 429 C GLY A 29 7.785 1.740 7.546 1.00 12.43 C ATOM 430 O GLY A 29 6.871 2.222 6.887 1.00 10.25 O ATOM 0 H GLY A 29 6.353 -0.321 6.602 1.00 24.43 H new ATOM 0 HA2 GLY A 29 6.994 0.353 8.983 1.00 72.33 H new ATOM 0 HA3 GLY A 29 8.633 -0.001 8.474 1.00 72.33 H new ATOM 434 N LYS A 30 8.957 2.369 7.762 1.00 54.24 N ATOM 435 CA LYS A 30 9.203 3.824 7.508 1.00 31.30 C ATOM 436 C LYS A 30 8.879 4.272 6.056 1.00 0.21 C ATOM 437 O LYS A 30 8.348 5.370 5.838 1.00 22.23 O ATOM 438 CB LYS A 30 10.685 4.140 7.838 1.00 63.01 C ATOM 439 CG LYS A 30 11.117 3.704 9.259 1.00 14.33 C ATOM 440 CD LYS A 30 12.633 3.882 9.503 1.00 44.23 C ATOM 441 CE LYS A 30 13.079 3.341 10.875 1.00 71.13 C ATOM 442 NZ LYS A 30 14.541 3.502 11.088 1.00 32.24 N ATOM 0 H LYS A 30 9.778 1.884 8.123 1.00 54.24 H new ATOM 0 HA LYS A 30 8.524 4.383 8.152 1.00 31.30 H new ATOM 0 HB2 LYS A 30 11.324 3.645 7.107 1.00 63.01 H new ATOM 0 HB3 LYS A 30 10.850 5.212 7.731 1.00 63.01 H new ATOM 0 HG2 LYS A 30 10.564 4.285 9.997 1.00 14.33 H new ATOM 0 HG3 LYS A 30 10.849 2.658 9.411 1.00 14.33 H new ATOM 0 HD2 LYS A 30 13.187 3.369 8.717 1.00 44.23 H new ATOM 0 HD3 LYS A 30 12.887 4.940 9.433 1.00 44.23 H new ATOM 0 HE2 LYS A 30 12.538 3.863 11.664 1.00 71.13 H new ATOM 0 HE3 LYS A 30 12.815 2.286 10.952 1.00 71.13 H new ATOM 0 HZ1 LYS A 30 14.799 3.126 12.022 1.00 32.24 H new ATOM 0 HZ2 LYS A 30 15.059 2.983 10.350 1.00 32.24 H new ATOM 0 HZ3 LYS A 30 14.790 4.511 11.040 1.00 32.24 H new ATOM 456 N SER A 31 9.201 3.403 5.083 1.00 11.22 N ATOM 457 CA SER A 31 8.996 3.682 3.638 1.00 13.04 C ATOM 458 C SER A 31 7.494 3.667 3.248 1.00 61.33 C ATOM 459 O SER A 31 7.073 4.386 2.333 1.00 5.30 O ATOM 460 CB SER A 31 9.779 2.663 2.789 1.00 31.01 C ATOM 461 OG SER A 31 11.148 2.608 3.162 1.00 55.53 O ATOM 0 H SER A 31 9.610 2.487 5.268 1.00 11.22 H new ATOM 0 HA SER A 31 9.372 4.686 3.439 1.00 13.04 H new ATOM 0 HB2 SER A 31 9.331 1.676 2.902 1.00 31.01 H new ATOM 0 HB3 SER A 31 9.700 2.930 1.735 1.00 31.01 H new ATOM 0 HG SER A 31 11.613 1.950 2.604 1.00 55.53 H new ATOM 467 N VAL A 32 6.702 2.808 3.927 1.00 2.42 N ATOM 468 CA VAL A 32 5.221 2.789 3.795 1.00 35.41 C ATOM 469 C VAL A 32 4.610 4.054 4.461 1.00 2.31 C ATOM 470 O VAL A 32 3.787 4.753 3.857 1.00 3.51 O ATOM 471 CB VAL A 32 4.597 1.485 4.436 1.00 35.42 C ATOM 472 CG1 VAL A 32 3.055 1.427 4.249 1.00 52.01 C ATOM 473 CG2 VAL A 32 5.275 0.205 3.873 1.00 72.14 C ATOM 0 H VAL A 32 7.064 2.112 4.578 1.00 2.42 H new ATOM 0 HA VAL A 32 4.981 2.787 2.732 1.00 35.41 H new ATOM 0 HB VAL A 32 4.791 1.529 5.508 1.00 35.42 H new ATOM 0 HG11 VAL A 32 2.667 0.515 4.704 1.00 52.01 H new ATOM 0 HG12 VAL A 32 2.598 2.294 4.726 1.00 52.01 H new ATOM 0 HG13 VAL A 32 2.817 1.431 3.185 1.00 52.01 H new ATOM 0 HG21 VAL A 32 4.826 -0.676 4.331 1.00 72.14 H new ATOM 0 HG22 VAL A 32 5.134 0.164 2.793 1.00 72.14 H new ATOM 0 HG23 VAL A 32 6.341 0.228 4.099 1.00 72.14 H new ATOM 483 N MET A 33 5.060 4.320 5.707 1.00 34.51 N ATOM 484 CA MET A 33 4.643 5.481 6.542 1.00 51.34 C ATOM 485 C MET A 33 4.747 6.840 5.816 1.00 71.31 C ATOM 486 O MET A 33 3.860 7.676 5.971 1.00 11.45 O ATOM 487 CB MET A 33 5.472 5.517 7.862 1.00 31.52 C ATOM 488 CG MET A 33 4.970 4.580 8.978 1.00 61.41 C ATOM 489 SD MET A 33 4.541 2.912 8.420 1.00 33.21 S ATOM 490 CE MET A 33 2.749 2.936 8.504 1.00 3.32 C ATOM 0 H MET A 33 5.740 3.722 6.176 1.00 34.51 H new ATOM 0 HA MET A 33 3.586 5.332 6.763 1.00 51.34 H new ATOM 0 HB2 MET A 33 6.505 5.259 7.630 1.00 31.52 H new ATOM 0 HB3 MET A 33 5.476 6.539 8.242 1.00 31.52 H new ATOM 0 HG2 MET A 33 5.739 4.506 9.746 1.00 61.41 H new ATOM 0 HG3 MET A 33 4.094 5.030 9.446 1.00 61.41 H new ATOM 0 HE1 MET A 33 2.337 2.412 7.641 1.00 3.32 H new ATOM 0 HE2 MET A 33 2.421 2.442 9.419 1.00 3.32 H new ATOM 0 HE3 MET A 33 2.399 3.968 8.503 1.00 3.32 H new ATOM 500 N GLU A 34 5.832 7.057 5.046 1.00 11.24 N ATOM 501 CA GLU A 34 6.035 8.317 4.279 1.00 0.30 C ATOM 502 C GLU A 34 4.858 8.584 3.298 1.00 13.02 C ATOM 503 O GLU A 34 4.354 9.712 3.191 1.00 51.31 O ATOM 504 CB GLU A 34 7.372 8.252 3.491 1.00 75.44 C ATOM 505 CG GLU A 34 7.746 9.564 2.754 1.00 10.12 C ATOM 506 CD GLU A 34 9.010 9.449 1.882 1.00 4.44 C ATOM 507 OE1 GLU A 34 10.130 9.645 2.407 1.00 11.22 O ATOM 508 OE2 GLU A 34 8.894 9.161 0.672 1.00 53.22 O ATOM 0 H GLU A 34 6.586 6.379 4.934 1.00 11.24 H new ATOM 0 HA GLU A 34 6.072 9.139 4.994 1.00 0.30 H new ATOM 0 HB2 GLU A 34 8.175 7.996 4.182 1.00 75.44 H new ATOM 0 HB3 GLU A 34 7.311 7.445 2.761 1.00 75.44 H new ATOM 0 HG2 GLU A 34 6.909 9.868 2.126 1.00 10.12 H new ATOM 0 HG3 GLU A 34 7.895 10.354 3.491 1.00 10.12 H new ATOM 515 N THR A 35 4.423 7.521 2.603 1.00 35.34 N ATOM 516 CA THR A 35 3.341 7.594 1.600 1.00 42.44 C ATOM 517 C THR A 35 1.941 7.683 2.278 1.00 35.00 C ATOM 518 O THR A 35 1.020 8.302 1.735 1.00 50.41 O ATOM 519 CB THR A 35 3.408 6.370 0.628 1.00 52.24 C ATOM 520 OG1 THR A 35 4.772 6.138 0.237 1.00 12.01 O ATOM 521 CG2 THR A 35 2.565 6.588 -0.640 1.00 21.10 C ATOM 0 H THR A 35 4.810 6.584 2.719 1.00 35.34 H new ATOM 0 HA THR A 35 3.486 8.505 1.020 1.00 42.44 H new ATOM 0 HB THR A 35 3.005 5.510 1.163 1.00 52.24 H new ATOM 0 HG1 THR A 35 4.798 5.464 -0.474 1.00 12.01 H new ATOM 0 HG21 THR A 35 2.643 5.712 -1.284 1.00 21.10 H new ATOM 0 HG22 THR A 35 1.522 6.742 -0.362 1.00 21.10 H new ATOM 0 HG23 THR A 35 2.931 7.465 -1.174 1.00 21.10 H new ATOM 529 N VAL A 36 1.802 7.070 3.479 1.00 34.44 N ATOM 530 CA VAL A 36 0.590 7.211 4.330 1.00 61.05 C ATOM 531 C VAL A 36 0.389 8.698 4.741 1.00 23.41 C ATOM 532 O VAL A 36 -0.724 9.242 4.645 1.00 12.23 O ATOM 533 CB VAL A 36 0.677 6.293 5.617 1.00 62.05 C ATOM 534 CG1 VAL A 36 -0.534 6.499 6.561 1.00 2.30 C ATOM 535 CG2 VAL A 36 0.811 4.796 5.234 1.00 33.42 C ATOM 0 H VAL A 36 2.519 6.468 3.884 1.00 34.44 H new ATOM 0 HA VAL A 36 -0.269 6.885 3.744 1.00 61.05 H new ATOM 0 HB VAL A 36 1.575 6.595 6.156 1.00 62.05 H new ATOM 0 HG11 VAL A 36 -0.432 5.849 7.430 1.00 2.30 H new ATOM 0 HG12 VAL A 36 -0.569 7.539 6.887 1.00 2.30 H new ATOM 0 HG13 VAL A 36 -1.454 6.254 6.031 1.00 2.30 H new ATOM 0 HG21 VAL A 36 0.868 4.192 6.140 1.00 33.42 H new ATOM 0 HG22 VAL A 36 -0.057 4.491 4.649 1.00 33.42 H new ATOM 0 HG23 VAL A 36 1.716 4.651 4.644 1.00 33.42 H new ATOM 545 N ILE A 37 1.494 9.348 5.168 1.00 72.33 N ATOM 546 CA ILE A 37 1.520 10.803 5.467 1.00 54.55 C ATOM 547 C ILE A 37 1.141 11.631 4.216 1.00 44.35 C ATOM 548 O ILE A 37 0.412 12.608 4.327 1.00 13.44 O ATOM 549 CB ILE A 37 2.940 11.271 5.999 1.00 13.15 C ATOM 550 CG1 ILE A 37 3.316 10.510 7.310 1.00 4.43 C ATOM 551 CG2 ILE A 37 3.006 12.812 6.223 1.00 43.14 C ATOM 552 CD1 ILE A 37 4.725 10.771 7.832 1.00 13.42 C ATOM 0 H ILE A 37 2.391 8.884 5.316 1.00 72.33 H new ATOM 0 HA ILE A 37 0.784 10.977 6.252 1.00 54.55 H new ATOM 0 HB ILE A 37 3.669 11.025 5.227 1.00 13.15 H new ATOM 0 HG12 ILE A 37 2.602 10.783 8.087 1.00 4.43 H new ATOM 0 HG13 ILE A 37 3.203 9.440 7.135 1.00 4.43 H new ATOM 0 HG21 ILE A 37 3.997 13.085 6.587 1.00 43.14 H new ATOM 0 HG22 ILE A 37 2.812 13.325 5.281 1.00 43.14 H new ATOM 0 HG23 ILE A 37 2.256 13.105 6.958 1.00 43.14 H new ATOM 0 HD11 ILE A 37 4.887 10.197 8.744 1.00 13.42 H new ATOM 0 HD12 ILE A 37 5.454 10.470 7.079 1.00 13.42 H new ATOM 0 HD13 ILE A 37 4.843 11.833 8.046 1.00 13.42 H new ATOM 564 N ALA A 38 1.606 11.189 3.026 1.00 40.25 N ATOM 565 CA ALA A 38 1.402 11.915 1.748 1.00 45.32 C ATOM 566 C ALA A 38 -0.099 12.011 1.358 1.00 63.20 C ATOM 567 O ALA A 38 -0.570 13.082 0.976 1.00 0.25 O ATOM 568 CB ALA A 38 2.213 11.240 0.627 1.00 45.12 C ATOM 0 H ALA A 38 2.132 10.321 2.922 1.00 40.25 H new ATOM 0 HA ALA A 38 1.758 12.936 1.887 1.00 45.32 H new ATOM 0 HB1 ALA A 38 2.059 11.778 -0.308 1.00 45.12 H new ATOM 0 HB2 ALA A 38 3.272 11.256 0.884 1.00 45.12 H new ATOM 0 HB3 ALA A 38 1.883 10.208 0.510 1.00 45.12 H new ATOM 574 N PHE A 39 -0.837 10.882 1.483 1.00 34.10 N ATOM 575 CA PHE A 39 -2.292 10.818 1.158 1.00 51.11 C ATOM 576 C PHE A 39 -3.148 11.605 2.181 1.00 54.23 C ATOM 577 O PHE A 39 -4.129 12.260 1.809 1.00 10.24 O ATOM 578 CB PHE A 39 -2.785 9.347 1.097 1.00 31.04 C ATOM 579 CG PHE A 39 -2.104 8.477 0.039 1.00 54.40 C ATOM 580 CD1 PHE A 39 -1.878 8.958 -1.254 1.00 62.24 C ATOM 581 CD2 PHE A 39 -1.700 7.173 0.335 1.00 2.11 C ATOM 582 CE1 PHE A 39 -1.274 8.163 -2.210 1.00 64.03 C ATOM 583 CE2 PHE A 39 -1.101 6.381 -0.625 1.00 63.04 C ATOM 584 CZ PHE A 39 -0.883 6.876 -1.895 1.00 14.34 C ATOM 0 H PHE A 39 -0.450 9.996 1.808 1.00 34.10 H new ATOM 0 HA PHE A 39 -2.414 11.281 0.179 1.00 51.11 H new ATOM 0 HB2 PHE A 39 -2.633 8.889 2.074 1.00 31.04 H new ATOM 0 HB3 PHE A 39 -3.859 9.348 0.908 1.00 31.04 H new ATOM 0 HD1 PHE A 39 -2.179 9.963 -1.509 1.00 62.24 H new ATOM 0 HD2 PHE A 39 -1.858 6.779 1.328 1.00 2.11 H new ATOM 0 HE1 PHE A 39 -1.107 8.549 -3.205 1.00 64.03 H new ATOM 0 HE2 PHE A 39 -0.802 5.372 -0.381 1.00 63.04 H new ATOM 0 HZ PHE A 39 -0.407 6.258 -2.642 1.00 14.34 H new ATOM 594 N ALA A 40 -2.768 11.518 3.470 1.00 32.32 N ATOM 595 CA ALA A 40 -3.464 12.230 4.568 1.00 20.22 C ATOM 596 C ALA A 40 -3.216 13.765 4.507 1.00 2.21 C ATOM 597 O ALA A 40 -4.098 14.564 4.831 1.00 30.00 O ATOM 598 CB ALA A 40 -3.017 11.653 5.922 1.00 51.11 C ATOM 0 H ALA A 40 -1.975 10.957 3.782 1.00 32.32 H new ATOM 0 HA ALA A 40 -4.537 12.077 4.451 1.00 20.22 H new ATOM 0 HB1 ALA A 40 -3.530 12.178 6.728 1.00 51.11 H new ATOM 0 HB2 ALA A 40 -3.264 10.592 5.965 1.00 51.11 H new ATOM 0 HB3 ALA A 40 -1.940 11.780 6.034 1.00 51.11 H new ATOM 604 N ASN A 41 -1.994 14.153 4.100 1.00 71.55 N ATOM 605 CA ASN A 41 -1.582 15.575 3.954 1.00 72.21 C ATOM 606 C ASN A 41 -2.104 16.174 2.626 1.00 21.44 C ATOM 607 O ASN A 41 -2.140 17.398 2.462 1.00 63.41 O ATOM 608 CB ASN A 41 -0.027 15.670 4.039 1.00 21.33 C ATOM 609 CG ASN A 41 0.536 17.092 3.951 1.00 23.02 C ATOM 610 OD1 ASN A 41 0.898 17.575 2.880 1.00 61.41 O ATOM 611 ND2 ASN A 41 0.608 17.783 5.074 1.00 72.42 N ATOM 0 H ASN A 41 -1.256 13.491 3.860 1.00 71.55 H new ATOM 0 HA ASN A 41 -2.021 16.158 4.764 1.00 72.21 H new ATOM 0 HB2 ASN A 41 0.299 15.223 4.978 1.00 21.33 H new ATOM 0 HB3 ASN A 41 0.404 15.073 3.235 1.00 21.33 H new ATOM 0 HD21 ASN A 41 0.969 18.737 5.064 1.00 72.42 H new ATOM 0 HD22 ASN A 41 0.302 17.363 5.952 1.00 72.42 H new ATOM 618 N GLU A 42 -2.502 15.301 1.683 1.00 10.44 N ATOM 619 CA GLU A 42 -2.994 15.719 0.358 1.00 3.32 C ATOM 620 C GLU A 42 -4.448 16.266 0.465 1.00 1.20 C ATOM 621 O GLU A 42 -5.385 15.484 0.703 1.00 32.34 O ATOM 622 CB GLU A 42 -2.916 14.528 -0.653 1.00 33.25 C ATOM 623 CG GLU A 42 -2.496 14.935 -2.077 1.00 41.14 C ATOM 624 CD GLU A 42 -1.066 15.496 -2.137 1.00 73.02 C ATOM 625 OE1 GLU A 42 -0.111 14.694 -2.129 1.00 54.05 O ATOM 626 OE2 GLU A 42 -0.883 16.737 -2.159 1.00 4.03 O ATOM 0 H GLU A 42 -2.492 14.290 1.817 1.00 10.44 H new ATOM 0 HA GLU A 42 -2.357 16.522 -0.014 1.00 3.32 H new ATOM 0 HB2 GLU A 42 -2.208 13.791 -0.274 1.00 33.25 H new ATOM 0 HB3 GLU A 42 -3.890 14.041 -0.699 1.00 33.25 H new ATOM 0 HG2 GLU A 42 -2.570 14.069 -2.735 1.00 41.14 H new ATOM 0 HG3 GLU A 42 -3.192 15.683 -2.456 1.00 41.14 H new ATOM 633 N PRO A 43 -4.666 17.611 0.287 1.00 72.55 N ATOM 634 CA PRO A 43 -5.991 18.228 0.495 1.00 34.34 C ATOM 635 C PRO A 43 -6.992 17.859 -0.636 1.00 20.51 C ATOM 636 O PRO A 43 -6.773 18.177 -1.818 1.00 1.13 O ATOM 637 CB PRO A 43 -5.667 19.746 0.534 1.00 75.32 C ATOM 638 CG PRO A 43 -4.452 19.894 -0.336 1.00 0.53 C ATOM 639 CD PRO A 43 -3.654 18.614 -0.156 1.00 23.33 C ATOM 0 HA PRO A 43 -6.488 17.882 1.401 1.00 34.34 H new ATOM 0 HB2 PRO A 43 -6.500 20.339 0.157 1.00 75.32 H new ATOM 0 HB3 PRO A 43 -5.470 20.084 1.551 1.00 75.32 H new ATOM 0 HG2 PRO A 43 -4.733 20.036 -1.379 1.00 0.53 H new ATOM 0 HG3 PRO A 43 -3.865 20.765 -0.043 1.00 0.53 H new ATOM 0 HD2 PRO A 43 -3.173 18.310 -1.086 1.00 23.33 H new ATOM 0 HD3 PRO A 43 -2.865 18.738 0.586 1.00 23.33 H new ATOM 647 N GLY A 44 -8.076 17.156 -0.262 1.00 50.11 N ATOM 648 CA GLY A 44 -9.115 16.741 -1.218 1.00 20.41 C ATOM 649 C GLY A 44 -8.785 15.475 -2.025 1.00 22.53 C ATOM 650 O GLY A 44 -9.585 15.066 -2.869 1.00 71.21 O ATOM 0 H GLY A 44 -8.254 16.863 0.699 1.00 50.11 H new ATOM 0 HA2 GLY A 44 -10.044 16.575 -0.673 1.00 20.41 H new ATOM 0 HA3 GLY A 44 -9.296 17.560 -1.914 1.00 20.41 H new ATOM 654 N LEU A 45 -7.625 14.827 -1.768 1.00 55.15 N ATOM 655 CA LEU A 45 -7.236 13.572 -2.468 1.00 44.12 C ATOM 656 C LEU A 45 -7.219 12.386 -1.460 1.00 32.45 C ATOM 657 O LEU A 45 -6.591 11.342 -1.693 1.00 22.24 O ATOM 658 CB LEU A 45 -5.865 13.757 -3.192 1.00 74.32 C ATOM 659 CG LEU A 45 -5.495 12.662 -4.258 1.00 15.54 C ATOM 660 CD1 LEU A 45 -6.550 12.581 -5.384 1.00 22.45 C ATOM 661 CD2 LEU A 45 -4.077 12.886 -4.834 1.00 65.42 C ATOM 0 H LEU A 45 -6.941 15.149 -1.083 1.00 55.15 H new ATOM 0 HA LEU A 45 -7.973 13.338 -3.236 1.00 44.12 H new ATOM 0 HB2 LEU A 45 -5.865 14.730 -3.684 1.00 74.32 H new ATOM 0 HB3 LEU A 45 -5.079 13.782 -2.438 1.00 74.32 H new ATOM 0 HG LEU A 45 -5.493 11.701 -3.743 1.00 15.54 H new ATOM 0 HD11 LEU A 45 -6.259 11.813 -6.101 1.00 22.45 H new ATOM 0 HD12 LEU A 45 -7.520 12.329 -4.956 1.00 22.45 H new ATOM 0 HD13 LEU A 45 -6.616 13.544 -5.891 1.00 22.45 H new ATOM 0 HD21 LEU A 45 -3.855 12.111 -5.567 1.00 65.42 H new ATOM 0 HD22 LEU A 45 -4.029 13.864 -5.314 1.00 65.42 H new ATOM 0 HD23 LEU A 45 -3.345 12.842 -4.027 1.00 65.42 H new ATOM 673 N ASP A 46 -7.902 12.592 -0.321 1.00 1.14 N ATOM 674 CA ASP A 46 -8.230 11.551 0.677 1.00 42.14 C ATOM 675 C ASP A 46 -8.729 10.215 0.050 1.00 42.20 C ATOM 676 O ASP A 46 -9.788 10.157 -0.588 1.00 5.04 O ATOM 677 CB ASP A 46 -9.277 12.120 1.673 1.00 1.22 C ATOM 678 CG ASP A 46 -10.563 12.651 1.009 1.00 63.41 C ATOM 679 OD1 ASP A 46 -10.497 13.689 0.314 1.00 64.22 O ATOM 680 OD2 ASP A 46 -11.636 12.026 1.160 1.00 22.01 O ATOM 0 H ASP A 46 -8.253 13.513 -0.059 1.00 1.14 H new ATOM 0 HA ASP A 46 -7.307 11.297 1.198 1.00 42.14 H new ATOM 0 HB2 ASP A 46 -9.546 11.339 2.385 1.00 1.22 H new ATOM 0 HB3 ASP A 46 -8.817 12.927 2.244 1.00 1.22 H new ATOM 685 N GLY A 47 -7.928 9.151 0.221 1.00 41.40 N ATOM 686 CA GLY A 47 -8.276 7.815 -0.272 1.00 22.52 C ATOM 687 C GLY A 47 -7.253 7.238 -1.247 1.00 35.00 C ATOM 688 O GLY A 47 -7.580 6.918 -2.393 1.00 73.43 O ATOM 0 H GLY A 47 -7.029 9.195 0.701 1.00 41.40 H new ATOM 0 HA2 GLY A 47 -8.378 7.139 0.577 1.00 22.52 H new ATOM 0 HA3 GLY A 47 -9.248 7.860 -0.763 1.00 22.52 H new ATOM 692 N GLY A 48 -6.007 7.103 -0.774 1.00 15.15 N ATOM 693 CA GLY A 48 -4.922 6.487 -1.553 1.00 54.12 C ATOM 694 C GLY A 48 -4.807 4.982 -1.308 1.00 11.53 C ATOM 695 O GLY A 48 -5.233 4.491 -0.263 1.00 33.04 O ATOM 0 H GLY A 48 -5.723 7.416 0.154 1.00 15.15 H new ATOM 0 HA2 GLY A 48 -5.094 6.667 -2.614 1.00 54.12 H new ATOM 0 HA3 GLY A 48 -3.977 6.967 -1.297 1.00 54.12 H new ATOM 699 N TYR A 49 -4.227 4.244 -2.271 1.00 12.41 N ATOM 700 CA TYR A 49 -4.115 2.764 -2.198 1.00 53.34 C ATOM 701 C TYR A 49 -2.639 2.295 -2.128 1.00 2.14 C ATOM 702 O TYR A 49 -1.813 2.681 -2.957 1.00 41.42 O ATOM 703 CB TYR A 49 -4.820 2.126 -3.420 1.00 12.42 C ATOM 704 CG TYR A 49 -6.344 2.354 -3.457 1.00 11.21 C ATOM 705 CD1 TYR A 49 -7.210 1.543 -2.711 1.00 3.21 C ATOM 706 CD2 TYR A 49 -6.919 3.364 -4.242 1.00 32.20 C ATOM 707 CE1 TYR A 49 -8.576 1.726 -2.752 1.00 52.00 C ATOM 708 CE2 TYR A 49 -8.292 3.548 -4.278 1.00 43.31 C ATOM 709 CZ TYR A 49 -9.112 2.727 -3.531 1.00 64.52 C ATOM 710 OH TYR A 49 -10.479 2.894 -3.570 1.00 42.41 O ATOM 0 H TYR A 49 -3.824 4.646 -3.117 1.00 12.41 H new ATOM 0 HA TYR A 49 -4.603 2.438 -1.279 1.00 53.34 H new ATOM 0 HB2 TYR A 49 -4.381 2.531 -4.332 1.00 12.42 H new ATOM 0 HB3 TYR A 49 -4.624 1.054 -3.420 1.00 12.42 H new ATOM 0 HD1 TYR A 49 -6.799 0.759 -2.092 1.00 3.21 H new ATOM 0 HD2 TYR A 49 -6.281 4.009 -4.828 1.00 32.20 H new ATOM 0 HE1 TYR A 49 -9.225 1.085 -2.174 1.00 52.00 H new ATOM 0 HE2 TYR A 49 -8.718 4.331 -4.888 1.00 43.31 H new ATOM 0 HH TYR A 49 -10.700 3.642 -4.163 1.00 42.41 H new ATOM 720 N LEU A 50 -2.327 1.450 -1.126 1.00 42.34 N ATOM 721 CA LEU A 50 -0.994 0.817 -0.959 1.00 44.11 C ATOM 722 C LEU A 50 -1.130 -0.719 -0.978 1.00 31.11 C ATOM 723 O LEU A 50 -1.877 -1.295 -0.188 1.00 32.23 O ATOM 724 CB LEU A 50 -0.328 1.296 0.361 1.00 22.21 C ATOM 725 CG LEU A 50 0.029 2.815 0.414 1.00 63.12 C ATOM 726 CD1 LEU A 50 0.552 3.228 1.807 1.00 12.34 C ATOM 727 CD2 LEU A 50 1.040 3.181 -0.697 1.00 32.54 C ATOM 0 H LEU A 50 -2.994 1.182 -0.402 1.00 42.34 H new ATOM 0 HA LEU A 50 -0.355 1.117 -1.790 1.00 44.11 H new ATOM 0 HB2 LEU A 50 -0.997 1.068 1.190 1.00 22.21 H new ATOM 0 HB3 LEU A 50 0.583 0.719 0.519 1.00 22.21 H new ATOM 0 HG LEU A 50 -0.887 3.377 0.235 1.00 63.12 H new ATOM 0 HD11 LEU A 50 0.790 4.292 1.806 1.00 12.34 H new ATOM 0 HD12 LEU A 50 -0.213 3.028 2.557 1.00 12.34 H new ATOM 0 HD13 LEU A 50 1.449 2.656 2.043 1.00 12.34 H new ATOM 0 HD21 LEU A 50 1.274 4.244 -0.640 1.00 32.54 H new ATOM 0 HD22 LEU A 50 1.953 2.601 -0.563 1.00 32.54 H new ATOM 0 HD23 LEU A 50 0.607 2.956 -1.672 1.00 32.54 H new ATOM 739 N LEU A 51 -0.397 -1.373 -1.893 1.00 72.11 N ATOM 740 CA LEU A 51 -0.500 -2.830 -2.126 1.00 52.13 C ATOM 741 C LEU A 51 0.694 -3.557 -1.489 1.00 10.53 C ATOM 742 O LEU A 51 1.815 -3.452 -1.976 1.00 64.34 O ATOM 743 CB LEU A 51 -0.543 -3.131 -3.663 1.00 32.14 C ATOM 744 CG LEU A 51 -1.833 -2.713 -4.437 1.00 4.43 C ATOM 745 CD1 LEU A 51 -3.077 -3.390 -3.841 1.00 10.03 C ATOM 746 CD2 LEU A 51 -1.999 -1.182 -4.522 1.00 21.43 C ATOM 0 H LEU A 51 0.285 -0.910 -2.494 1.00 72.11 H new ATOM 0 HA LEU A 51 -1.421 -3.189 -1.667 1.00 52.13 H new ATOM 0 HB2 LEU A 51 0.307 -2.632 -4.129 1.00 32.14 H new ATOM 0 HB3 LEU A 51 -0.398 -4.202 -3.801 1.00 32.14 H new ATOM 0 HG LEU A 51 -1.720 -3.065 -5.462 1.00 4.43 H new ATOM 0 HD11 LEU A 51 -3.961 -3.082 -4.399 1.00 10.03 H new ATOM 0 HD12 LEU A 51 -2.967 -4.473 -3.904 1.00 10.03 H new ATOM 0 HD13 LEU A 51 -3.186 -3.097 -2.797 1.00 10.03 H new ATOM 0 HD21 LEU A 51 -2.911 -0.945 -5.070 1.00 21.43 H new ATOM 0 HD22 LEU A 51 -2.061 -0.766 -3.516 1.00 21.43 H new ATOM 0 HD23 LEU A 51 -1.142 -0.751 -5.040 1.00 21.43 H new ATOM 758 N LEU A 52 0.444 -4.302 -0.405 1.00 53.42 N ATOM 759 CA LEU A 52 1.484 -5.095 0.280 1.00 60.20 C ATOM 760 C LEU A 52 1.471 -6.542 -0.247 1.00 43.13 C ATOM 761 O LEU A 52 0.444 -7.221 -0.186 1.00 44.33 O ATOM 762 CB LEU A 52 1.246 -5.060 1.812 1.00 61.33 C ATOM 763 CG LEU A 52 1.093 -3.632 2.444 1.00 5.11 C ATOM 764 CD1 LEU A 52 0.829 -3.718 3.950 1.00 5.42 C ATOM 765 CD2 LEU A 52 2.315 -2.731 2.162 1.00 73.04 C ATOM 0 H LEU A 52 -0.479 -4.375 0.024 1.00 53.42 H new ATOM 0 HA LEU A 52 2.464 -4.665 0.074 1.00 60.20 H new ATOM 0 HB2 LEU A 52 0.347 -5.634 2.035 1.00 61.33 H new ATOM 0 HB3 LEU A 52 2.077 -5.567 2.302 1.00 61.33 H new ATOM 0 HG LEU A 52 0.230 -3.171 1.964 1.00 5.11 H new ATOM 0 HD11 LEU A 52 0.728 -2.713 4.360 1.00 5.42 H new ATOM 0 HD12 LEU A 52 -0.090 -4.276 4.127 1.00 5.42 H new ATOM 0 HD13 LEU A 52 1.662 -4.226 4.437 1.00 5.42 H new ATOM 0 HD21 LEU A 52 2.160 -1.754 2.620 1.00 73.04 H new ATOM 0 HD22 LEU A 52 3.210 -3.191 2.581 1.00 73.04 H new ATOM 0 HD23 LEU A 52 2.438 -2.611 1.086 1.00 73.04 H new ATOM 777 N GLY A 53 2.622 -7.001 -0.768 1.00 75.11 N ATOM 778 CA GLY A 53 2.746 -8.345 -1.362 1.00 65.43 C ATOM 779 C GLY A 53 2.862 -8.314 -2.882 1.00 54.45 C ATOM 780 O GLY A 53 2.388 -9.219 -3.576 1.00 54.51 O ATOM 0 H GLY A 53 3.485 -6.458 -0.790 1.00 75.11 H new ATOM 0 HA2 GLY A 53 3.623 -8.841 -0.946 1.00 65.43 H new ATOM 0 HA3 GLY A 53 1.879 -8.942 -1.081 1.00 65.43 H new ATOM 784 N VAL A 54 3.466 -7.242 -3.410 1.00 54.55 N ATOM 785 CA VAL A 54 3.789 -7.113 -4.842 1.00 35.13 C ATOM 786 C VAL A 54 5.313 -7.059 -5.038 1.00 60.44 C ATOM 787 O VAL A 54 6.017 -6.399 -4.277 1.00 13.44 O ATOM 788 CB VAL A 54 3.148 -5.817 -5.465 1.00 75.33 C ATOM 789 CG1 VAL A 54 3.404 -5.719 -6.996 1.00 42.21 C ATOM 790 CG2 VAL A 54 1.640 -5.743 -5.152 1.00 32.12 C ATOM 0 H VAL A 54 3.747 -6.434 -2.855 1.00 54.55 H new ATOM 0 HA VAL A 54 3.376 -7.985 -5.349 1.00 35.13 H new ATOM 0 HB VAL A 54 3.637 -4.960 -5.001 1.00 75.33 H new ATOM 0 HG11 VAL A 54 2.944 -4.810 -7.384 1.00 42.21 H new ATOM 0 HG12 VAL A 54 4.477 -5.692 -7.184 1.00 42.21 H new ATOM 0 HG13 VAL A 54 2.970 -6.586 -7.494 1.00 42.21 H new ATOM 0 HG21 VAL A 54 1.221 -4.839 -5.593 1.00 32.12 H new ATOM 0 HG22 VAL A 54 1.139 -6.616 -5.569 1.00 32.12 H new ATOM 0 HG23 VAL A 54 1.493 -5.721 -4.072 1.00 32.12 H new ATOM 800 N ASP A 55 5.798 -7.739 -6.078 1.00 72.34 N ATOM 801 CA ASP A 55 7.200 -7.670 -6.513 1.00 51.50 C ATOM 802 C ASP A 55 7.188 -7.339 -8.008 1.00 61.43 C ATOM 803 O ASP A 55 6.436 -7.941 -8.777 1.00 24.31 O ATOM 804 CB ASP A 55 7.952 -8.997 -6.237 1.00 22.13 C ATOM 805 CG ASP A 55 9.475 -8.885 -6.461 1.00 21.21 C ATOM 806 OD1 ASP A 55 9.930 -8.912 -7.630 1.00 42.13 O ATOM 807 OD2 ASP A 55 10.224 -8.746 -5.476 1.00 51.25 O ATOM 0 H ASP A 55 5.226 -8.360 -6.650 1.00 72.34 H new ATOM 0 HA ASP A 55 7.733 -6.902 -5.952 1.00 51.50 H new ATOM 0 HB2 ASP A 55 7.763 -9.308 -5.210 1.00 22.13 H new ATOM 0 HB3 ASP A 55 7.551 -9.777 -6.885 1.00 22.13 H new ATOM 812 N TRP A 56 8.013 -6.381 -8.413 1.00 35.34 N ATOM 813 CA TRP A 56 8.022 -5.858 -9.791 1.00 73.25 C ATOM 814 C TRP A 56 9.303 -6.273 -10.542 1.00 74.21 C ATOM 815 O TRP A 56 10.408 -6.237 -9.988 1.00 20.44 O ATOM 816 CB TRP A 56 7.817 -4.318 -9.774 1.00 22.23 C ATOM 817 CG TRP A 56 8.622 -3.580 -8.718 1.00 52.54 C ATOM 818 CD1 TRP A 56 9.870 -3.027 -8.844 1.00 61.44 C ATOM 819 CD2 TRP A 56 8.211 -3.324 -7.364 1.00 73.31 C ATOM 820 NE1 TRP A 56 10.253 -2.455 -7.655 1.00 74.23 N ATOM 821 CE2 TRP A 56 9.253 -2.622 -6.736 1.00 73.15 C ATOM 822 CE3 TRP A 56 7.059 -3.628 -6.625 1.00 3.32 C ATOM 823 CZ2 TRP A 56 9.179 -2.212 -5.405 1.00 60.21 C ATOM 824 CZ3 TRP A 56 6.986 -3.223 -5.311 1.00 62.33 C ATOM 825 CH2 TRP A 56 8.041 -2.524 -4.710 1.00 75.20 C ATOM 0 H TRP A 56 8.699 -5.938 -7.801 1.00 35.34 H new ATOM 0 HA TRP A 56 7.191 -6.299 -10.341 1.00 73.25 H new ATOM 0 HB2 TRP A 56 8.079 -3.920 -10.754 1.00 22.23 H new ATOM 0 HB3 TRP A 56 6.759 -4.108 -9.617 1.00 22.23 H new ATOM 0 HD1 TRP A 56 10.465 -3.039 -9.745 1.00 61.44 H new ATOM 0 HE1 TRP A 56 11.140 -1.982 -7.485 1.00 74.23 H new ATOM 0 HE3 TRP A 56 6.243 -4.171 -7.079 1.00 3.32 H new ATOM 0 HZ2 TRP A 56 9.989 -1.669 -4.940 1.00 60.21 H new ATOM 0 HZ3 TRP A 56 6.101 -3.448 -4.734 1.00 62.33 H new ATOM 0 HH2 TRP A 56 7.955 -2.225 -3.676 1.00 75.20 H new ATOM 836 N ALA A 57 9.131 -6.657 -11.818 1.00 32.32 N ATOM 837 CA ALA A 57 10.213 -7.171 -12.680 1.00 74.51 C ATOM 838 C ALA A 57 10.449 -6.225 -13.874 1.00 44.14 C ATOM 839 O ALA A 57 9.499 -5.671 -14.444 1.00 31.11 O ATOM 840 CB ALA A 57 9.865 -8.591 -13.163 1.00 11.21 C ATOM 0 H ALA A 57 8.226 -6.619 -12.287 1.00 32.32 H new ATOM 0 HA ALA A 57 11.136 -7.217 -12.103 1.00 74.51 H new ATOM 0 HB1 ALA A 57 10.667 -8.966 -13.799 1.00 11.21 H new ATOM 0 HB2 ALA A 57 9.747 -9.249 -12.302 1.00 11.21 H new ATOM 0 HB3 ALA A 57 8.935 -8.565 -13.730 1.00 11.21 H new ATOM 846 N ILE A 58 11.727 -6.045 -14.239 1.00 72.25 N ATOM 847 CA ILE A 58 12.152 -5.128 -15.312 1.00 13.32 C ATOM 848 C ILE A 58 12.235 -5.869 -16.673 1.00 51.25 C ATOM 849 O ILE A 58 12.772 -6.979 -16.753 1.00 43.15 O ATOM 850 CB ILE A 58 13.540 -4.471 -14.947 1.00 0.31 C ATOM 851 CG1 ILE A 58 13.477 -3.763 -13.549 1.00 63.15 C ATOM 852 CG2 ILE A 58 14.014 -3.484 -16.040 1.00 65.31 C ATOM 853 CD1 ILE A 58 12.460 -2.631 -13.442 1.00 42.22 C ATOM 0 H ILE A 58 12.503 -6.535 -13.795 1.00 72.25 H new ATOM 0 HA ILE A 58 11.407 -4.338 -15.407 1.00 13.32 H new ATOM 0 HB ILE A 58 14.273 -5.276 -14.892 1.00 0.31 H new ATOM 0 HG12 ILE A 58 13.246 -4.511 -12.790 1.00 63.15 H new ATOM 0 HG13 ILE A 58 14.465 -3.366 -13.315 1.00 63.15 H new ATOM 0 HG21 ILE A 58 14.973 -3.054 -15.751 1.00 65.31 H new ATOM 0 HG22 ILE A 58 14.125 -4.014 -16.986 1.00 65.31 H new ATOM 0 HG23 ILE A 58 13.279 -2.688 -16.155 1.00 65.31 H new ATOM 0 HD11 ILE A 58 12.493 -2.206 -12.439 1.00 42.22 H new ATOM 0 HD12 ILE A 58 12.699 -1.857 -14.172 1.00 42.22 H new ATOM 0 HD13 ILE A 58 11.461 -3.020 -13.639 1.00 42.22 H new ATOM 865 N ASN A 59 11.694 -5.241 -17.733 1.00 73.13 N ATOM 866 CA ASN A 59 11.650 -5.827 -19.098 1.00 75.51 C ATOM 867 C ASN A 59 12.951 -5.550 -19.897 1.00 44.23 C ATOM 868 O ASN A 59 13.881 -4.900 -19.402 1.00 41.42 O ATOM 869 CB ASN A 59 10.445 -5.259 -19.894 1.00 34.11 C ATOM 870 CG ASN A 59 9.128 -5.316 -19.133 1.00 63.34 C ATOM 871 OD1 ASN A 59 8.735 -4.199 -18.573 1.00 11.44 O flip ATOM 872 ND2 ASN A 59 8.456 -6.337 -19.087 1.00 11.33 N flip ATOM 0 H ASN A 59 11.274 -4.313 -17.674 1.00 73.13 H new ATOM 0 HA ASN A 59 11.545 -6.905 -18.972 1.00 75.51 H new ATOM 0 HB2 ASN A 59 10.654 -4.224 -20.163 1.00 34.11 H new ATOM 0 HB3 ASN A 59 10.341 -5.816 -20.825 1.00 34.11 H new ATOM 0 HD21 ASN A 59 8.793 -7.190 -19.534 1.00 11.33 H new ATOM 0 HD22 ASN A 59 7.559 -6.336 -18.601 1.00 11.33 H new ATOM 879 N ASP A 60 12.975 -6.038 -21.155 1.00 25.12 N ATOM 880 CA ASP A 60 14.057 -5.764 -22.131 1.00 53.32 C ATOM 881 C ASP A 60 14.206 -4.240 -22.415 1.00 24.35 C ATOM 882 O ASP A 60 15.325 -3.733 -22.557 1.00 3.11 O ATOM 883 CB ASP A 60 13.758 -6.543 -23.437 1.00 62.13 C ATOM 884 CG ASP A 60 14.822 -6.350 -24.537 1.00 64.45 C ATOM 885 OD1 ASP A 60 15.916 -6.949 -24.439 1.00 42.33 O ATOM 886 OD2 ASP A 60 14.569 -5.599 -25.502 1.00 55.33 O ATOM 0 H ASP A 60 12.239 -6.638 -21.527 1.00 25.12 H new ATOM 0 HA ASP A 60 15.006 -6.098 -21.710 1.00 53.32 H new ATOM 0 HB2 ASP A 60 13.678 -7.605 -23.205 1.00 62.13 H new ATOM 0 HB3 ASP A 60 12.789 -6.227 -23.823 1.00 62.13 H new ATOM 891 N LYS A 61 13.057 -3.523 -22.479 1.00 42.44 N ATOM 892 CA LYS A 61 13.022 -2.051 -22.705 1.00 11.52 C ATOM 893 C LYS A 61 13.244 -1.223 -21.404 1.00 51.40 C ATOM 894 O LYS A 61 13.100 0.006 -21.421 1.00 33.44 O ATOM 895 CB LYS A 61 11.680 -1.646 -23.385 1.00 4.50 C ATOM 896 CG LYS A 61 10.391 -1.930 -22.575 1.00 72.20 C ATOM 897 CD LYS A 61 9.119 -1.440 -23.315 1.00 54.40 C ATOM 898 CE LYS A 61 7.814 -1.765 -22.562 1.00 52.22 C ATOM 899 NZ LYS A 61 7.523 -3.225 -22.506 1.00 43.34 N ATOM 0 H LYS A 61 12.133 -3.942 -22.377 1.00 42.44 H new ATOM 0 HA LYS A 61 13.856 -1.815 -23.365 1.00 11.52 H new ATOM 0 HB2 LYS A 61 11.717 -0.580 -23.608 1.00 4.50 H new ATOM 0 HB3 LYS A 61 11.608 -2.169 -24.339 1.00 4.50 H new ATOM 0 HG2 LYS A 61 10.310 -3.000 -22.386 1.00 72.20 H new ATOM 0 HG3 LYS A 61 10.457 -1.439 -21.604 1.00 72.20 H new ATOM 0 HD2 LYS A 61 9.186 -0.362 -23.464 1.00 54.40 H new ATOM 0 HD3 LYS A 61 9.083 -1.897 -24.304 1.00 54.40 H new ATOM 0 HE2 LYS A 61 7.880 -1.374 -21.547 1.00 52.22 H new ATOM 0 HE3 LYS A 61 6.983 -1.253 -23.048 1.00 52.22 H new ATOM 0 HZ1 LYS A 61 6.635 -3.382 -21.988 1.00 43.34 H new ATOM 0 HZ2 LYS A 61 7.431 -3.598 -23.472 1.00 43.34 H new ATOM 0 HZ3 LYS A 61 8.300 -3.715 -22.018 1.00 43.34 H new ATOM 913 N GLY A 62 13.583 -1.898 -20.283 1.00 42.12 N ATOM 914 CA GLY A 62 13.870 -1.214 -19.003 1.00 71.31 C ATOM 915 C GLY A 62 12.624 -0.802 -18.194 1.00 75.04 C ATOM 916 O GLY A 62 12.751 -0.228 -17.109 1.00 14.22 O ATOM 0 H GLY A 62 13.664 -2.914 -20.239 1.00 42.12 H new ATOM 0 HA2 GLY A 62 14.485 -1.870 -18.387 1.00 71.31 H new ATOM 0 HA3 GLY A 62 14.463 -0.323 -19.209 1.00 71.31 H new ATOM 920 N ASP A 63 11.424 -1.097 -18.723 1.00 10.52 N ATOM 921 CA ASP A 63 10.129 -0.771 -18.069 1.00 30.24 C ATOM 922 C ASP A 63 9.855 -1.659 -16.816 1.00 51.12 C ATOM 923 O ASP A 63 10.397 -2.756 -16.697 1.00 55.30 O ATOM 924 CB ASP A 63 9.006 -0.928 -19.130 1.00 61.22 C ATOM 925 CG ASP A 63 7.588 -0.758 -18.566 1.00 32.43 C ATOM 926 OD1 ASP A 63 7.218 0.379 -18.217 1.00 10.10 O ATOM 927 OD2 ASP A 63 6.857 -1.764 -18.454 1.00 11.14 O ATOM 0 H ASP A 63 11.316 -1.570 -19.620 1.00 10.52 H new ATOM 0 HA ASP A 63 10.161 0.254 -17.700 1.00 30.24 H new ATOM 0 HB2 ASP A 63 9.162 -0.194 -19.921 1.00 61.22 H new ATOM 0 HB3 ASP A 63 9.088 -1.913 -19.588 1.00 61.22 H new ATOM 932 N THR A 64 8.992 -1.169 -15.903 1.00 53.41 N ATOM 933 CA THR A 64 8.600 -1.884 -14.661 1.00 24.43 C ATOM 934 C THR A 64 7.176 -2.494 -14.787 1.00 4.41 C ATOM 935 O THR A 64 6.215 -1.780 -15.074 1.00 43.10 O ATOM 936 CB THR A 64 8.642 -0.907 -13.432 1.00 24.04 C ATOM 937 OG1 THR A 64 9.968 -0.373 -13.278 1.00 71.24 O ATOM 938 CG2 THR A 64 8.220 -1.587 -12.117 1.00 62.41 C ATOM 0 H THR A 64 8.541 -0.259 -16.003 1.00 53.41 H new ATOM 0 HA THR A 64 9.313 -2.694 -14.508 1.00 24.43 H new ATOM 0 HB THR A 64 7.927 -0.110 -13.638 1.00 24.04 H new ATOM 0 HG1 THR A 64 9.988 0.237 -12.511 1.00 71.24 H new ATOM 0 HG21 THR A 64 8.268 -0.865 -11.302 1.00 62.41 H new ATOM 0 HG22 THR A 64 7.200 -1.960 -12.211 1.00 62.41 H new ATOM 0 HG23 THR A 64 8.892 -2.418 -11.905 1.00 62.41 H new ATOM 946 N VAL A 65 7.058 -3.820 -14.559 1.00 10.02 N ATOM 947 CA VAL A 65 5.757 -4.543 -14.524 1.00 31.30 C ATOM 948 C VAL A 65 5.516 -5.128 -13.107 1.00 33.33 C ATOM 949 O VAL A 65 6.373 -5.819 -12.564 1.00 5.40 O ATOM 950 CB VAL A 65 5.695 -5.689 -15.612 1.00 54.12 C ATOM 951 CG1 VAL A 65 4.401 -6.538 -15.490 1.00 41.42 C ATOM 952 CG2 VAL A 65 5.817 -5.100 -17.038 1.00 53.20 C ATOM 0 H VAL A 65 7.862 -4.426 -14.393 1.00 10.02 H new ATOM 0 HA VAL A 65 4.968 -3.828 -14.758 1.00 31.30 H new ATOM 0 HB VAL A 65 6.542 -6.350 -15.429 1.00 54.12 H new ATOM 0 HG11 VAL A 65 4.401 -7.313 -16.257 1.00 41.42 H new ATOM 0 HG12 VAL A 65 4.362 -7.002 -14.505 1.00 41.42 H new ATOM 0 HG13 VAL A 65 3.530 -5.896 -15.623 1.00 41.42 H new ATOM 0 HG21 VAL A 65 5.772 -5.906 -17.770 1.00 53.20 H new ATOM 0 HG22 VAL A 65 4.998 -4.403 -17.215 1.00 53.20 H new ATOM 0 HG23 VAL A 65 6.767 -4.575 -17.135 1.00 53.20 H new ATOM 962 N TYR A 66 4.319 -4.877 -12.543 1.00 60.23 N ATOM 963 CA TYR A 66 3.972 -5.230 -11.143 1.00 10.43 C ATOM 964 C TYR A 66 3.277 -6.608 -11.071 1.00 33.01 C ATOM 965 O TYR A 66 2.217 -6.813 -11.678 1.00 63.35 O ATOM 966 CB TYR A 66 3.069 -4.119 -10.545 1.00 65.30 C ATOM 967 CG TYR A 66 3.785 -2.765 -10.413 1.00 5.53 C ATOM 968 CD1 TYR A 66 4.499 -2.441 -9.256 1.00 42.51 C ATOM 969 CD2 TYR A 66 3.769 -1.822 -11.448 1.00 2.42 C ATOM 970 CE1 TYR A 66 5.160 -1.235 -9.132 1.00 63.45 C ATOM 971 CE2 TYR A 66 4.429 -0.610 -11.325 1.00 24.22 C ATOM 972 CZ TYR A 66 5.124 -0.323 -10.164 1.00 35.55 C ATOM 973 OH TYR A 66 5.791 0.879 -10.037 1.00 70.14 O ATOM 0 H TYR A 66 3.557 -4.421 -13.045 1.00 60.23 H new ATOM 0 HA TYR A 66 4.888 -5.301 -10.557 1.00 10.43 H new ATOM 0 HB2 TYR A 66 2.188 -3.997 -11.175 1.00 65.30 H new ATOM 0 HB3 TYR A 66 2.717 -4.435 -9.563 1.00 65.30 H new ATOM 0 HD1 TYR A 66 4.535 -3.149 -8.441 1.00 42.51 H new ATOM 0 HD2 TYR A 66 3.232 -2.043 -12.359 1.00 2.42 H new ATOM 0 HE1 TYR A 66 5.704 -1.007 -8.227 1.00 63.45 H new ATOM 0 HE2 TYR A 66 4.401 0.107 -12.132 1.00 24.22 H new ATOM 0 HH TYR A 66 5.668 1.409 -10.852 1.00 70.14 H new ATOM 983 N ARG A 67 3.897 -7.557 -10.334 1.00 61.52 N ATOM 984 CA ARG A 67 3.425 -8.962 -10.239 1.00 44.22 C ATOM 985 C ARG A 67 2.907 -9.298 -8.811 1.00 21.04 C ATOM 986 O ARG A 67 3.586 -8.978 -7.825 1.00 72.52 O ATOM 987 CB ARG A 67 4.572 -9.945 -10.619 1.00 34.15 C ATOM 988 CG ARG A 67 5.292 -9.658 -11.968 1.00 44.14 C ATOM 989 CD ARG A 67 4.329 -9.435 -13.151 1.00 63.50 C ATOM 990 NE ARG A 67 3.346 -10.522 -13.307 1.00 52.44 N ATOM 991 CZ ARG A 67 2.047 -10.356 -13.484 1.00 50.34 C ATOM 992 NH1 ARG A 67 1.504 -9.173 -13.452 1.00 23.14 N ATOM 993 NH2 ARG A 67 1.292 -11.380 -13.660 1.00 32.41 N ATOM 0 H ARG A 67 4.738 -7.373 -9.788 1.00 61.52 H new ATOM 0 HA ARG A 67 2.597 -9.076 -10.939 1.00 44.22 H new ATOM 0 HB2 ARG A 67 5.316 -9.931 -9.822 1.00 34.15 H new ATOM 0 HB3 ARG A 67 4.162 -10.954 -10.655 1.00 34.15 H new ATOM 0 HG2 ARG A 67 5.922 -8.776 -11.853 1.00 44.14 H new ATOM 0 HG3 ARG A 67 5.953 -10.493 -12.202 1.00 44.14 H new ATOM 0 HD2 ARG A 67 3.800 -8.492 -13.009 1.00 63.50 H new ATOM 0 HD3 ARG A 67 4.907 -9.341 -14.070 1.00 63.50 H new ATOM 0 HE ARG A 67 3.697 -11.479 -13.276 1.00 52.44 H new ATOM 0 HH11 ARG A 67 2.084 -8.350 -13.288 1.00 23.14 H new ATOM 0 HH12 ARG A 67 0.499 -9.069 -13.591 1.00 23.14 H new ATOM 0 HH21 ARG A 67 1.696 -12.317 -13.663 1.00 32.41 H new ATOM 0 HH22 ARG A 67 0.289 -11.256 -13.797 1.00 32.41 H new ATOM 1007 N PRO A 68 1.711 -9.964 -8.666 1.00 53.54 N ATOM 1008 CA PRO A 68 1.201 -10.398 -7.342 1.00 11.24 C ATOM 1009 C PRO A 68 1.922 -11.675 -6.824 1.00 12.51 C ATOM 1010 O PRO A 68 1.523 -12.804 -7.121 1.00 11.34 O ATOM 1011 CB PRO A 68 -0.308 -10.639 -7.608 1.00 72.41 C ATOM 1012 CG PRO A 68 -0.372 -11.063 -9.051 1.00 32.10 C ATOM 1013 CD PRO A 68 0.764 -10.334 -9.762 1.00 34.12 C ATOM 0 HA PRO A 68 1.379 -9.663 -6.557 1.00 11.24 H new ATOM 0 HB2 PRO A 68 -0.709 -11.409 -6.950 1.00 72.41 H new ATOM 0 HB3 PRO A 68 -0.891 -9.735 -7.433 1.00 72.41 H new ATOM 0 HG2 PRO A 68 -0.259 -12.143 -9.144 1.00 32.10 H new ATOM 0 HG3 PRO A 68 -1.335 -10.804 -9.490 1.00 32.10 H new ATOM 0 HD2 PRO A 68 1.244 -10.973 -10.503 1.00 34.12 H new ATOM 0 HD3 PRO A 68 0.402 -9.451 -10.289 1.00 34.12 H new ATOM 1021 N VAL A 69 3.042 -11.474 -6.111 1.00 3.21 N ATOM 1022 CA VAL A 69 3.783 -12.575 -5.439 1.00 32.21 C ATOM 1023 C VAL A 69 3.140 -12.949 -4.080 1.00 14.32 C ATOM 1024 O VAL A 69 3.392 -14.034 -3.539 1.00 50.33 O ATOM 1025 CB VAL A 69 5.298 -12.203 -5.238 1.00 41.25 C ATOM 1026 CG1 VAL A 69 6.005 -12.040 -6.610 1.00 60.44 C ATOM 1027 CG2 VAL A 69 5.462 -10.926 -4.362 1.00 1.14 C ATOM 0 H VAL A 69 3.464 -10.555 -5.979 1.00 3.21 H new ATOM 0 HA VAL A 69 3.724 -13.445 -6.093 1.00 32.21 H new ATOM 0 HB VAL A 69 5.777 -13.023 -4.703 1.00 41.25 H new ATOM 0 HG11 VAL A 69 7.052 -11.783 -6.451 1.00 60.44 H new ATOM 0 HG12 VAL A 69 5.941 -12.976 -7.166 1.00 60.44 H new ATOM 0 HG13 VAL A 69 5.519 -11.247 -7.178 1.00 60.44 H new ATOM 0 HG21 VAL A 69 6.522 -10.699 -4.244 1.00 1.14 H new ATOM 0 HG22 VAL A 69 4.963 -10.086 -4.846 1.00 1.14 H new ATOM 0 HG23 VAL A 69 5.017 -11.097 -3.382 1.00 1.14 H new ATOM 1037 N GLY A 70 2.326 -12.026 -3.543 1.00 3.23 N ATOM 1038 CA GLY A 70 1.589 -12.233 -2.299 1.00 11.35 C ATOM 1039 C GLY A 70 2.436 -12.095 -1.033 1.00 54.12 C ATOM 1040 O GLY A 70 3.608 -11.693 -1.070 1.00 2.04 O ATOM 0 H GLY A 70 2.164 -11.112 -3.967 1.00 3.23 H new ATOM 0 HA2 GLY A 70 0.769 -11.516 -2.253 1.00 11.35 H new ATOM 0 HA3 GLY A 70 1.143 -13.227 -2.316 1.00 11.35 H new ATOM 1044 N LEU A 71 1.809 -12.416 0.098 1.00 71.54 N ATOM 1045 CA LEU A 71 2.428 -12.394 1.433 1.00 73.22 C ATOM 1046 C LEU A 71 2.472 -13.841 1.986 1.00 0.31 C ATOM 1047 O LEU A 71 1.435 -14.523 1.983 1.00 54.05 O ATOM 1048 CB LEU A 71 1.601 -11.471 2.373 1.00 44.24 C ATOM 1049 CG LEU A 71 1.549 -9.956 1.973 1.00 13.23 C ATOM 1050 CD1 LEU A 71 0.426 -9.211 2.730 1.00 2.25 C ATOM 1051 CD2 LEU A 71 2.927 -9.274 2.196 1.00 61.42 C ATOM 0 H LEU A 71 0.831 -12.707 0.117 1.00 71.54 H new ATOM 0 HA LEU A 71 3.444 -12.003 1.374 1.00 73.22 H new ATOM 0 HB2 LEU A 71 0.580 -11.850 2.417 1.00 44.24 H new ATOM 0 HB3 LEU A 71 2.013 -11.547 3.379 1.00 44.24 H new ATOM 0 HG LEU A 71 1.317 -9.902 0.909 1.00 13.23 H new ATOM 0 HD11 LEU A 71 0.418 -8.163 2.429 1.00 2.25 H new ATOM 0 HD12 LEU A 71 -0.536 -9.665 2.492 1.00 2.25 H new ATOM 0 HD13 LEU A 71 0.604 -9.279 3.803 1.00 2.25 H new ATOM 0 HD21 LEU A 71 2.864 -8.224 1.911 1.00 61.42 H new ATOM 0 HD22 LEU A 71 3.204 -9.348 3.248 1.00 61.42 H new ATOM 0 HD23 LEU A 71 3.682 -9.771 1.586 1.00 61.42 H new ATOM 1063 N PRO A 72 3.663 -14.351 2.445 1.00 30.12 N ATOM 1064 CA PRO A 72 3.763 -15.703 3.073 1.00 74.50 C ATOM 1065 C PRO A 72 3.004 -15.787 4.429 1.00 71.21 C ATOM 1066 O PRO A 72 2.605 -16.866 4.872 1.00 35.45 O ATOM 1067 CB PRO A 72 5.297 -15.890 3.256 1.00 2.14 C ATOM 1068 CG PRO A 72 5.842 -14.490 3.328 1.00 62.11 C ATOM 1069 CD PRO A 72 4.995 -13.681 2.369 1.00 12.03 C ATOM 0 HA PRO A 72 3.303 -16.483 2.466 1.00 74.50 H new ATOM 0 HB2 PRO A 72 5.523 -16.451 4.163 1.00 2.14 H new ATOM 0 HB3 PRO A 72 5.732 -16.443 2.423 1.00 2.14 H new ATOM 0 HG2 PRO A 72 5.776 -14.094 4.341 1.00 62.11 H new ATOM 0 HG3 PRO A 72 6.894 -14.462 3.043 1.00 62.11 H new ATOM 0 HD2 PRO A 72 4.937 -12.634 2.667 1.00 12.03 H new ATOM 0 HD3 PRO A 72 5.400 -13.702 1.357 1.00 12.03 H new ATOM 1077 N ASP A 73 2.820 -14.620 5.059 1.00 20.53 N ATOM 1078 CA ASP A 73 2.126 -14.450 6.352 1.00 43.12 C ATOM 1079 C ASP A 73 1.221 -13.169 6.317 1.00 21.33 C ATOM 1080 O ASP A 73 1.537 -12.155 6.948 1.00 61.10 O ATOM 1081 CB ASP A 73 3.197 -14.414 7.488 1.00 43.51 C ATOM 1082 CG ASP A 73 4.483 -13.617 7.147 1.00 11.54 C ATOM 1083 OD1 ASP A 73 4.448 -12.672 6.318 1.00 64.54 O ATOM 1084 OD2 ASP A 73 5.540 -13.917 7.730 1.00 0.33 O ATOM 0 H ASP A 73 3.159 -13.738 4.675 1.00 20.53 H new ATOM 0 HA ASP A 73 1.457 -15.288 6.549 1.00 43.12 H new ATOM 0 HB2 ASP A 73 2.745 -13.981 8.380 1.00 43.51 H new ATOM 0 HB3 ASP A 73 3.477 -15.438 7.737 1.00 43.51 H new ATOM 1089 N PRO A 74 0.058 -13.224 5.585 1.00 75.21 N ATOM 1090 CA PRO A 74 -0.733 -12.014 5.193 1.00 14.44 C ATOM 1091 C PRO A 74 -1.360 -11.234 6.378 1.00 3.54 C ATOM 1092 O PRO A 74 -1.318 -9.996 6.422 1.00 61.55 O ATOM 1093 CB PRO A 74 -1.839 -12.588 4.256 1.00 22.14 C ATOM 1094 CG PRO A 74 -1.389 -13.981 3.914 1.00 71.10 C ATOM 1095 CD PRO A 74 -0.602 -14.465 5.102 1.00 3.22 C ATOM 0 HA PRO A 74 -0.087 -11.271 4.724 1.00 14.44 H new ATOM 0 HB2 PRO A 74 -2.809 -12.599 4.754 1.00 22.14 H new ATOM 0 HB3 PRO A 74 -1.949 -11.979 3.359 1.00 22.14 H new ATOM 0 HG2 PRO A 74 -2.243 -14.631 3.720 1.00 71.10 H new ATOM 0 HG3 PRO A 74 -0.776 -13.983 3.013 1.00 71.10 H new ATOM 0 HD2 PRO A 74 -1.247 -14.903 5.864 1.00 3.22 H new ATOM 0 HD3 PRO A 74 0.125 -15.228 4.823 1.00 3.22 H new ATOM 1103 N ASP A 75 -1.922 -11.982 7.337 1.00 10.43 N ATOM 1104 CA ASP A 75 -2.686 -11.418 8.473 1.00 61.43 C ATOM 1105 C ASP A 75 -1.764 -10.703 9.494 1.00 3.44 C ATOM 1106 O ASP A 75 -2.176 -9.728 10.138 1.00 44.13 O ATOM 1107 CB ASP A 75 -3.510 -12.540 9.155 1.00 11.44 C ATOM 1108 CG ASP A 75 -2.632 -13.724 9.601 1.00 22.25 C ATOM 1109 OD1 ASP A 75 -2.312 -14.590 8.755 1.00 1.34 O ATOM 1110 OD2 ASP A 75 -2.230 -13.777 10.780 1.00 44.02 O ATOM 0 H ASP A 75 -1.863 -13.000 7.352 1.00 10.43 H new ATOM 0 HA ASP A 75 -3.367 -10.661 8.083 1.00 61.43 H new ATOM 0 HB2 ASP A 75 -4.030 -12.130 10.021 1.00 11.44 H new ATOM 0 HB3 ASP A 75 -4.274 -12.897 8.464 1.00 11.44 H new ATOM 1115 N LYS A 76 -0.507 -11.191 9.633 1.00 5.32 N ATOM 1116 CA LYS A 76 0.477 -10.579 10.558 1.00 40.44 C ATOM 1117 C LYS A 76 0.971 -9.221 10.000 1.00 74.35 C ATOM 1118 O LYS A 76 1.226 -8.292 10.756 1.00 54.04 O ATOM 1119 CB LYS A 76 1.650 -11.565 10.890 1.00 51.51 C ATOM 1120 CG LYS A 76 2.867 -11.607 9.921 1.00 35.32 C ATOM 1121 CD LYS A 76 3.983 -10.589 10.285 1.00 41.24 C ATOM 1122 CE LYS A 76 5.233 -10.728 9.409 1.00 24.41 C ATOM 1123 NZ LYS A 76 4.955 -10.448 7.980 1.00 63.11 N ATOM 0 H LYS A 76 -0.153 -11.999 9.121 1.00 5.32 H new ATOM 0 HA LYS A 76 -0.019 -10.376 11.507 1.00 40.44 H new ATOM 0 HB2 LYS A 76 2.023 -11.317 11.884 1.00 51.51 H new ATOM 0 HB3 LYS A 76 1.234 -12.571 10.947 1.00 51.51 H new ATOM 0 HG2 LYS A 76 3.288 -12.612 9.923 1.00 35.32 H new ATOM 0 HG3 LYS A 76 2.521 -11.408 8.907 1.00 35.32 H new ATOM 0 HD2 LYS A 76 3.589 -9.577 10.188 1.00 41.24 H new ATOM 0 HD3 LYS A 76 4.262 -10.723 11.330 1.00 41.24 H new ATOM 0 HE2 LYS A 76 6.003 -10.044 9.767 1.00 24.41 H new ATOM 0 HE3 LYS A 76 5.632 -11.737 9.508 1.00 24.41 H new ATOM 0 HZ1 LYS A 76 5.336 -11.219 7.395 1.00 63.11 H new ATOM 0 HZ2 LYS A 76 3.928 -10.377 7.834 1.00 63.11 H new ATOM 0 HZ3 LYS A 76 5.406 -9.551 7.708 1.00 63.11 H new ATOM 1137 N VAL A 77 1.077 -9.126 8.656 1.00 3.52 N ATOM 1138 CA VAL A 77 1.430 -7.872 7.944 1.00 30.23 C ATOM 1139 C VAL A 77 0.398 -6.747 8.254 1.00 50.21 C ATOM 1140 O VAL A 77 0.769 -5.593 8.486 1.00 31.02 O ATOM 1141 CB VAL A 77 1.508 -8.140 6.390 1.00 25.01 C ATOM 1142 CG1 VAL A 77 1.789 -6.853 5.581 1.00 20.51 C ATOM 1143 CG2 VAL A 77 2.564 -9.228 6.067 1.00 43.51 C ATOM 0 H VAL A 77 0.920 -9.917 8.031 1.00 3.52 H new ATOM 0 HA VAL A 77 2.406 -7.537 8.295 1.00 30.23 H new ATOM 0 HB VAL A 77 0.526 -8.503 6.085 1.00 25.01 H new ATOM 0 HG11 VAL A 77 1.833 -7.093 4.519 1.00 20.51 H new ATOM 0 HG12 VAL A 77 0.992 -6.131 5.757 1.00 20.51 H new ATOM 0 HG13 VAL A 77 2.741 -6.426 5.896 1.00 20.51 H new ATOM 0 HG21 VAL A 77 2.598 -9.394 4.990 1.00 43.51 H new ATOM 0 HG22 VAL A 77 3.543 -8.899 6.415 1.00 43.51 H new ATOM 0 HG23 VAL A 77 2.294 -10.157 6.569 1.00 43.51 H new ATOM 1153 N GLN A 78 -0.887 -7.139 8.290 1.00 33.43 N ATOM 1154 CA GLN A 78 -2.029 -6.243 8.609 1.00 54.40 C ATOM 1155 C GLN A 78 -1.980 -5.682 10.057 1.00 1.54 C ATOM 1156 O GLN A 78 -2.113 -4.469 10.271 1.00 40.52 O ATOM 1157 CB GLN A 78 -3.354 -7.019 8.354 1.00 41.35 C ATOM 1158 CG GLN A 78 -4.659 -6.261 8.703 1.00 51.23 C ATOM 1159 CD GLN A 78 -5.931 -7.015 8.279 1.00 73.43 C ATOM 1160 OE1 GLN A 78 -5.945 -7.736 7.292 1.00 25.13 O ATOM 1161 NE2 GLN A 78 -7.003 -6.878 9.030 1.00 72.43 N ATOM 0 H GLN A 78 -1.173 -8.099 8.097 1.00 33.43 H new ATOM 0 HA GLN A 78 -1.969 -5.371 7.957 1.00 54.40 H new ATOM 0 HB2 GLN A 78 -3.391 -7.301 7.302 1.00 41.35 H new ATOM 0 HB3 GLN A 78 -3.328 -7.943 8.931 1.00 41.35 H new ATOM 0 HG2 GLN A 78 -4.691 -6.083 9.778 1.00 51.23 H new ATOM 0 HG3 GLN A 78 -4.645 -5.285 8.218 1.00 51.23 H new ATOM 0 HE21 GLN A 78 -6.977 -6.273 9.851 1.00 72.43 H new ATOM 0 HE22 GLN A 78 -7.860 -7.377 8.791 1.00 72.43 H new ATOM 1170 N ARG A 79 -1.775 -6.573 11.039 1.00 31.45 N ATOM 1171 CA ARG A 79 -1.776 -6.192 12.485 1.00 52.33 C ATOM 1172 C ARG A 79 -0.495 -5.425 12.900 1.00 44.14 C ATOM 1173 O ARG A 79 -0.552 -4.549 13.775 1.00 44.41 O ATOM 1174 CB ARG A 79 -1.994 -7.432 13.399 1.00 70.24 C ATOM 1175 CG ARG A 79 -0.967 -8.591 13.218 1.00 10.13 C ATOM 1176 CD ARG A 79 -0.245 -9.011 14.517 1.00 14.22 C ATOM 1177 NE ARG A 79 0.648 -7.951 15.040 1.00 32.43 N ATOM 1178 CZ ARG A 79 1.893 -8.126 15.446 1.00 44.23 C ATOM 1179 NH1 ARG A 79 2.459 -9.298 15.433 1.00 62.12 N ATOM 1180 NH2 ARG A 79 2.572 -7.116 15.869 1.00 73.53 N ATOM 0 H ARG A 79 -1.605 -7.565 10.872 1.00 31.45 H new ATOM 0 HA ARG A 79 -2.616 -5.511 12.622 1.00 52.33 H new ATOM 0 HB2 ARG A 79 -1.966 -7.104 14.438 1.00 70.24 H new ATOM 0 HB3 ARG A 79 -2.994 -7.825 13.216 1.00 70.24 H new ATOM 0 HG2 ARG A 79 -1.484 -9.458 12.807 1.00 10.13 H new ATOM 0 HG3 ARG A 79 -0.221 -8.288 12.484 1.00 10.13 H new ATOM 0 HD2 ARG A 79 -0.986 -9.263 15.275 1.00 14.22 H new ATOM 0 HD3 ARG A 79 0.338 -9.912 14.329 1.00 14.22 H new ATOM 0 HE ARG A 79 0.269 -7.005 15.091 1.00 32.43 H new ATOM 0 HH11 ARG A 79 1.940 -10.112 15.103 1.00 62.12 H new ATOM 0 HH12 ARG A 79 3.422 -9.403 15.753 1.00 62.12 H new ATOM 0 HH21 ARG A 79 2.148 -6.189 15.889 1.00 73.53 H new ATOM 0 HH22 ARG A 79 3.534 -7.244 16.184 1.00 73.53 H new ATOM 1194 N ASP A 80 0.659 -5.781 12.296 1.00 4.31 N ATOM 1195 CA ASP A 80 1.909 -5.002 12.452 1.00 54.20 C ATOM 1196 C ASP A 80 1.731 -3.576 11.897 1.00 14.23 C ATOM 1197 O ASP A 80 2.110 -2.613 12.553 1.00 71.40 O ATOM 1198 CB ASP A 80 3.117 -5.710 11.760 1.00 41.54 C ATOM 1199 CG ASP A 80 3.773 -6.775 12.653 1.00 63.21 C ATOM 1200 OD1 ASP A 80 4.523 -6.394 13.582 1.00 51.20 O ATOM 1201 OD2 ASP A 80 3.547 -7.982 12.449 1.00 14.52 O ATOM 0 H ASP A 80 0.752 -6.601 11.697 1.00 4.31 H new ATOM 0 HA ASP A 80 2.127 -4.939 13.518 1.00 54.20 H new ATOM 0 HB2 ASP A 80 2.778 -6.176 10.835 1.00 41.54 H new ATOM 0 HB3 ASP A 80 3.862 -4.963 11.486 1.00 41.54 H new ATOM 1206 N LEU A 81 1.119 -3.462 10.702 1.00 43.43 N ATOM 1207 CA LEU A 81 0.903 -2.161 10.028 1.00 12.42 C ATOM 1208 C LEU A 81 -0.018 -1.228 10.844 1.00 54.32 C ATOM 1209 O LEU A 81 0.198 -0.016 10.884 1.00 73.50 O ATOM 1210 CB LEU A 81 0.304 -2.363 8.618 1.00 10.44 C ATOM 1211 CG LEU A 81 0.209 -1.068 7.741 1.00 63.21 C ATOM 1212 CD1 LEU A 81 1.596 -0.444 7.485 1.00 20.25 C ATOM 1213 CD2 LEU A 81 -0.506 -1.349 6.421 1.00 4.21 C ATOM 0 H LEU A 81 0.762 -4.261 10.178 1.00 43.43 H new ATOM 0 HA LEU A 81 1.882 -1.688 9.945 1.00 12.42 H new ATOM 0 HB2 LEU A 81 0.907 -3.099 8.087 1.00 10.44 H new ATOM 0 HB3 LEU A 81 -0.695 -2.786 8.722 1.00 10.44 H new ATOM 0 HG LEU A 81 -0.379 -0.343 8.304 1.00 63.21 H new ATOM 0 HD11 LEU A 81 1.485 0.451 6.873 1.00 20.25 H new ATOM 0 HD12 LEU A 81 2.057 -0.179 8.436 1.00 20.25 H new ATOM 0 HD13 LEU A 81 2.228 -1.163 6.964 1.00 20.25 H new ATOM 0 HD21 LEU A 81 -0.557 -0.433 5.833 1.00 4.21 H new ATOM 0 HD22 LEU A 81 0.044 -2.108 5.864 1.00 4.21 H new ATOM 0 HD23 LEU A 81 -1.515 -1.708 6.623 1.00 4.21 H new ATOM 1225 N ALA A 82 -1.055 -1.811 11.472 1.00 34.51 N ATOM 1226 CA ALA A 82 -1.970 -1.080 12.383 1.00 65.02 C ATOM 1227 C ALA A 82 -1.195 -0.420 13.559 1.00 11.05 C ATOM 1228 O ALA A 82 -1.517 0.697 13.990 1.00 1.12 O ATOM 1229 CB ALA A 82 -3.058 -2.038 12.904 1.00 41.51 C ATOM 0 H ALA A 82 -1.286 -2.799 11.366 1.00 34.51 H new ATOM 0 HA ALA A 82 -2.446 -0.275 11.823 1.00 65.02 H new ATOM 0 HB1 ALA A 82 -3.728 -1.498 13.573 1.00 41.51 H new ATOM 0 HB2 ALA A 82 -3.627 -2.435 12.063 1.00 41.51 H new ATOM 0 HB3 ALA A 82 -2.590 -2.860 13.446 1.00 41.51 H new ATOM 1235 N SER A 83 -0.155 -1.127 14.043 1.00 71.24 N ATOM 1236 CA SER A 83 0.752 -0.632 15.106 1.00 32.20 C ATOM 1237 C SER A 83 1.719 0.465 14.572 1.00 3.31 C ATOM 1238 O SER A 83 1.928 1.489 15.235 1.00 11.03 O ATOM 1239 CB SER A 83 1.554 -1.811 15.703 1.00 12.40 C ATOM 1240 OG SER A 83 2.414 -1.393 16.756 1.00 64.11 O ATOM 0 H SER A 83 0.083 -2.061 13.709 1.00 71.24 H new ATOM 0 HA SER A 83 0.141 -0.178 15.886 1.00 32.20 H new ATOM 0 HB2 SER A 83 0.863 -2.566 16.078 1.00 12.40 H new ATOM 0 HB3 SER A 83 2.145 -2.282 14.917 1.00 12.40 H new ATOM 0 HG SER A 83 2.901 -2.167 17.107 1.00 64.11 H new ATOM 1246 N GLN A 84 2.314 0.228 13.374 1.00 5.15 N ATOM 1247 CA GLN A 84 3.226 1.202 12.693 1.00 22.51 C ATOM 1248 C GLN A 84 2.522 2.557 12.437 1.00 23.02 C ATOM 1249 O GLN A 84 3.073 3.624 12.703 1.00 72.34 O ATOM 1250 CB GLN A 84 3.735 0.632 11.328 1.00 12.23 C ATOM 1251 CG GLN A 84 4.403 -0.752 11.408 1.00 33.23 C ATOM 1252 CD GLN A 84 4.940 -1.282 10.072 1.00 1.52 C ATOM 1253 OE1 GLN A 84 4.435 -0.962 9.002 1.00 31.22 O ATOM 1254 NE2 GLN A 84 5.956 -2.122 10.125 1.00 41.23 N ATOM 0 H GLN A 84 2.180 -0.637 12.850 1.00 5.15 H new ATOM 0 HA GLN A 84 4.072 1.362 13.362 1.00 22.51 H new ATOM 0 HB2 GLN A 84 2.892 0.572 10.640 1.00 12.23 H new ATOM 0 HB3 GLN A 84 4.447 1.338 10.900 1.00 12.23 H new ATOM 0 HG2 GLN A 84 5.226 -0.703 12.121 1.00 33.23 H new ATOM 0 HG3 GLN A 84 3.681 -1.467 11.803 1.00 33.23 H new ATOM 0 HE21 GLN A 84 6.362 -2.375 11.026 1.00 41.23 H new ATOM 0 HE22 GLN A 84 6.336 -2.518 9.265 1.00 41.23 H new ATOM 1263 N CYS A 85 1.282 2.472 11.946 1.00 23.42 N ATOM 1264 CA CYS A 85 0.459 3.641 11.556 1.00 0.21 C ATOM 1265 C CYS A 85 -0.101 4.397 12.793 1.00 23.53 C ATOM 1266 O CYS A 85 -0.539 5.544 12.692 1.00 11.33 O ATOM 1267 CB CYS A 85 -0.677 3.158 10.625 1.00 5.42 C ATOM 1268 SG CYS A 85 -1.545 4.471 9.752 1.00 12.41 S ATOM 0 H CYS A 85 0.807 1.581 11.803 1.00 23.42 H new ATOM 0 HA CYS A 85 1.087 4.356 11.024 1.00 0.21 H new ATOM 0 HB2 CYS A 85 -0.259 2.468 9.892 1.00 5.42 H new ATOM 0 HB3 CYS A 85 -1.399 2.595 11.217 1.00 5.42 H new ATOM 0 HG CYS A 85 -2.689 4.693 10.328 1.00 12.41 H new ATOM 1274 N ALA A 86 -0.109 3.721 13.955 1.00 44.01 N ATOM 1275 CA ALA A 86 -0.441 4.346 15.258 1.00 41.24 C ATOM 1276 C ALA A 86 0.779 5.076 15.893 1.00 21.34 C ATOM 1277 O ALA A 86 0.647 6.191 16.403 1.00 10.02 O ATOM 1278 CB ALA A 86 -0.978 3.275 16.225 1.00 54.05 C ATOM 0 H ALA A 86 0.113 2.728 14.023 1.00 44.01 H new ATOM 0 HA ALA A 86 -1.207 5.100 15.075 1.00 41.24 H new ATOM 0 HB1 ALA A 86 -1.221 3.738 17.182 1.00 54.05 H new ATOM 0 HB2 ALA A 86 -1.875 2.821 15.803 1.00 54.05 H new ATOM 0 HB3 ALA A 86 -0.219 2.507 16.376 1.00 54.05 H new ATOM 1284 N SER A 87 1.961 4.424 15.846 1.00 41.41 N ATOM 1285 CA SER A 87 3.189 4.874 16.572 1.00 64.02 C ATOM 1286 C SER A 87 3.993 5.949 15.796 1.00 3.42 C ATOM 1287 O SER A 87 4.316 7.014 16.340 1.00 72.41 O ATOM 1288 CB SER A 87 4.098 3.652 16.866 1.00 73.43 C ATOM 1289 OG SER A 87 5.313 4.028 17.505 1.00 63.10 O ATOM 0 H SER A 87 2.100 3.570 15.306 1.00 41.41 H new ATOM 0 HA SER A 87 2.858 5.336 17.502 1.00 64.02 H new ATOM 0 HB2 SER A 87 3.561 2.945 17.498 1.00 73.43 H new ATOM 0 HB3 SER A 87 4.325 3.137 15.933 1.00 73.43 H new ATOM 0 HG SER A 87 5.855 3.229 17.673 1.00 63.10 H new ATOM 1295 N MET A 88 4.314 5.651 14.525 1.00 50.33 N ATOM 1296 CA MET A 88 5.157 6.519 13.657 1.00 4.00 C ATOM 1297 C MET A 88 4.464 7.856 13.286 1.00 32.05 C ATOM 1298 O MET A 88 5.128 8.802 12.840 1.00 2.33 O ATOM 1299 CB MET A 88 5.520 5.745 12.364 1.00 14.54 C ATOM 1300 CG MET A 88 6.450 4.537 12.568 1.00 21.54 C ATOM 1301 SD MET A 88 8.150 5.024 12.948 1.00 54.40 S ATOM 1302 CE MET A 88 8.647 5.851 11.426 1.00 30.23 C ATOM 0 H MET A 88 3.999 4.799 14.061 1.00 50.33 H new ATOM 0 HA MET A 88 6.054 6.773 14.222 1.00 4.00 H new ATOM 0 HB2 MET A 88 4.599 5.400 11.895 1.00 14.54 H new ATOM 0 HB3 MET A 88 5.994 6.435 11.666 1.00 14.54 H new ATOM 0 HG2 MET A 88 6.064 3.918 13.378 1.00 21.54 H new ATOM 0 HG3 MET A 88 6.445 3.923 11.667 1.00 21.54 H new ATOM 0 HE1 MET A 88 9.734 5.916 11.386 1.00 30.23 H new ATOM 0 HE2 MET A 88 8.286 5.283 10.569 1.00 30.23 H new ATOM 0 HE3 MET A 88 8.222 6.854 11.402 1.00 30.23 H new ATOM 1312 N LEU A 89 3.131 7.918 13.453 1.00 55.33 N ATOM 1313 CA LEU A 89 2.320 9.113 13.115 1.00 22.44 C ATOM 1314 C LEU A 89 1.824 9.806 14.410 1.00 62.15 C ATOM 1315 O LEU A 89 1.645 9.133 15.429 1.00 32.15 O ATOM 1316 CB LEU A 89 1.125 8.693 12.210 1.00 33.22 C ATOM 1317 CG LEU A 89 1.480 7.767 10.989 1.00 50.10 C ATOM 1318 CD1 LEU A 89 0.244 7.493 10.114 1.00 71.24 C ATOM 1319 CD2 LEU A 89 2.639 8.332 10.139 1.00 0.23 C ATOM 0 H LEU A 89 2.581 7.144 13.826 1.00 55.33 H new ATOM 0 HA LEU A 89 2.935 9.827 12.567 1.00 22.44 H new ATOM 0 HB2 LEU A 89 0.389 8.180 12.829 1.00 33.22 H new ATOM 0 HB3 LEU A 89 0.648 9.596 11.830 1.00 33.22 H new ATOM 0 HG LEU A 89 1.820 6.819 11.407 1.00 50.10 H new ATOM 0 HD11 LEU A 89 0.524 6.850 9.279 1.00 71.24 H new ATOM 0 HD12 LEU A 89 -0.522 6.999 10.711 1.00 71.24 H new ATOM 0 HD13 LEU A 89 -0.147 8.436 9.731 1.00 71.24 H new ATOM 0 HD21 LEU A 89 2.845 7.656 9.309 1.00 0.23 H new ATOM 0 HD22 LEU A 89 2.360 9.311 9.749 1.00 0.23 H new ATOM 0 HD23 LEU A 89 3.531 8.429 10.758 1.00 0.23 H new ATOM 1331 N ASN A 90 1.670 11.158 14.362 1.00 41.23 N ATOM 1332 CA ASN A 90 1.162 12.002 15.495 1.00 42.12 C ATOM 1333 C ASN A 90 0.004 11.339 16.292 1.00 65.22 C ATOM 1334 O ASN A 90 0.053 11.213 17.518 1.00 75.31 O ATOM 1335 CB ASN A 90 0.668 13.368 14.938 1.00 53.24 C ATOM 1336 CG ASN A 90 0.121 14.321 16.006 1.00 43.42 C ATOM 1337 OD1 ASN A 90 0.624 14.383 17.119 1.00 44.30 O ATOM 1338 ND2 ASN A 90 -0.928 15.054 15.679 1.00 11.54 N ATOM 0 H ASN A 90 1.896 11.704 13.530 1.00 41.23 H new ATOM 0 HA ASN A 90 1.996 12.129 16.186 1.00 42.12 H new ATOM 0 HB2 ASN A 90 1.493 13.856 14.420 1.00 53.24 H new ATOM 0 HB3 ASN A 90 -0.110 13.185 14.197 1.00 53.24 H new ATOM 0 HD21 ASN A 90 -1.338 15.691 16.362 1.00 11.54 H new ATOM 0 HD22 ASN A 90 -1.328 14.983 14.743 1.00 11.54 H new ATOM 1345 N VAL A 91 -1.029 10.941 15.553 1.00 60.01 N ATOM 1346 CA VAL A 91 -2.262 10.347 16.101 1.00 51.42 C ATOM 1347 C VAL A 91 -2.337 8.856 15.707 1.00 25.44 C ATOM 1348 O VAL A 91 -1.692 8.433 14.732 1.00 41.34 O ATOM 1349 CB VAL A 91 -3.511 11.135 15.543 1.00 23.32 C ATOM 1350 CG1 VAL A 91 -4.857 10.620 16.107 1.00 61.31 C ATOM 1351 CG2 VAL A 91 -3.360 12.651 15.806 1.00 12.32 C ATOM 0 H VAL A 91 -1.040 11.021 14.536 1.00 60.01 H new ATOM 0 HA VAL A 91 -2.258 10.418 17.189 1.00 51.42 H new ATOM 0 HB VAL A 91 -3.534 10.955 14.468 1.00 23.32 H new ATOM 0 HG11 VAL A 91 -5.675 11.203 15.685 1.00 61.31 H new ATOM 0 HG12 VAL A 91 -4.985 9.570 15.842 1.00 61.31 H new ATOM 0 HG13 VAL A 91 -4.860 10.723 17.192 1.00 61.31 H new ATOM 0 HG21 VAL A 91 -4.231 13.177 15.414 1.00 12.32 H new ATOM 0 HG22 VAL A 91 -3.282 12.828 16.879 1.00 12.32 H new ATOM 0 HG23 VAL A 91 -2.461 13.018 15.311 1.00 12.32 H new ATOM 1361 N ALA A 92 -3.115 8.058 16.469 1.00 5.34 N ATOM 1362 CA ALA A 92 -3.417 6.675 16.083 1.00 21.32 C ATOM 1363 C ALA A 92 -4.312 6.676 14.818 1.00 41.53 C ATOM 1364 O ALA A 92 -5.535 6.848 14.884 1.00 2.50 O ATOM 1365 CB ALA A 92 -4.075 5.920 17.249 1.00 62.14 C ATOM 0 H ALA A 92 -3.540 8.351 17.349 1.00 5.34 H new ATOM 0 HA ALA A 92 -2.491 6.152 15.845 1.00 21.32 H new ATOM 0 HB1 ALA A 92 -4.292 4.896 16.944 1.00 62.14 H new ATOM 0 HB2 ALA A 92 -3.398 5.908 18.103 1.00 62.14 H new ATOM 0 HB3 ALA A 92 -5.003 6.419 17.528 1.00 62.14 H new ATOM 1371 N LEU A 93 -3.649 6.503 13.665 1.00 54.15 N ATOM 1372 CA LEU A 93 -4.301 6.508 12.351 1.00 54.13 C ATOM 1373 C LEU A 93 -4.616 5.042 11.997 1.00 64.14 C ATOM 1374 O LEU A 93 -3.712 4.206 11.906 1.00 63.44 O ATOM 1375 CB LEU A 93 -3.399 7.214 11.283 1.00 73.31 C ATOM 1376 CG LEU A 93 -4.129 7.864 10.045 1.00 42.53 C ATOM 1377 CD1 LEU A 93 -3.156 8.722 9.201 1.00 10.41 C ATOM 1378 CD2 LEU A 93 -4.838 6.816 9.146 1.00 3.45 C ATOM 0 H LEU A 93 -2.641 6.355 13.620 1.00 54.15 H new ATOM 0 HA LEU A 93 -5.228 7.081 12.369 1.00 54.13 H new ATOM 0 HB2 LEU A 93 -2.826 7.993 11.786 1.00 73.31 H new ATOM 0 HB3 LEU A 93 -2.683 6.483 10.908 1.00 73.31 H new ATOM 0 HG LEU A 93 -4.901 8.513 10.458 1.00 42.53 H new ATOM 0 HD11 LEU A 93 -3.692 9.155 8.356 1.00 10.41 H new ATOM 0 HD12 LEU A 93 -2.746 9.521 9.819 1.00 10.41 H new ATOM 0 HD13 LEU A 93 -2.344 8.095 8.833 1.00 10.41 H new ATOM 0 HD21 LEU A 93 -5.323 7.322 8.311 1.00 3.45 H new ATOM 0 HD22 LEU A 93 -4.103 6.107 8.764 1.00 3.45 H new ATOM 0 HD23 LEU A 93 -5.587 6.282 9.731 1.00 3.45 H new ATOM 1390 N ARG A 94 -5.914 4.738 11.856 1.00 23.42 N ATOM 1391 CA ARG A 94 -6.413 3.387 11.534 1.00 3.32 C ATOM 1392 C ARG A 94 -7.001 3.362 10.098 1.00 63.10 C ATOM 1393 O ARG A 94 -8.169 3.726 9.903 1.00 74.50 O ATOM 1394 CB ARG A 94 -7.475 2.974 12.597 1.00 33.33 C ATOM 1395 CG ARG A 94 -6.900 2.813 14.030 1.00 30.42 C ATOM 1396 CD ARG A 94 -7.993 2.625 15.101 1.00 53.12 C ATOM 1397 NE ARG A 94 -8.757 3.867 15.345 1.00 62.24 N ATOM 1398 CZ ARG A 94 -10.036 3.942 15.671 1.00 21.33 C ATOM 1399 NH1 ARG A 94 -10.793 2.887 15.733 1.00 71.32 N ATOM 1400 NH2 ARG A 94 -10.554 5.095 15.934 1.00 54.00 N ATOM 0 H ARG A 94 -6.657 5.428 11.963 1.00 23.42 H new ATOM 0 HA ARG A 94 -5.594 2.668 11.562 1.00 3.32 H new ATOM 0 HB2 ARG A 94 -8.267 3.723 12.616 1.00 33.33 H new ATOM 0 HB3 ARG A 94 -7.933 2.033 12.292 1.00 33.33 H new ATOM 0 HG2 ARG A 94 -6.227 1.956 14.051 1.00 30.42 H new ATOM 0 HG3 ARG A 94 -6.304 3.692 14.277 1.00 30.42 H new ATOM 0 HD2 ARG A 94 -8.676 1.837 14.786 1.00 53.12 H new ATOM 0 HD3 ARG A 94 -7.533 2.295 16.032 1.00 53.12 H new ATOM 0 HE ARG A 94 -8.250 4.748 15.253 1.00 62.24 H new ATOM 0 HH11 ARG A 94 -10.404 1.967 15.527 1.00 71.32 H new ATOM 0 HH12 ARG A 94 -11.776 2.979 15.988 1.00 71.32 H new ATOM 0 HH21 ARG A 94 -9.978 5.935 15.889 1.00 54.00 H new ATOM 0 HH22 ARG A 94 -11.540 5.166 16.187 1.00 54.00 H new ATOM 1414 N PRO A 95 -6.171 3.001 9.053 1.00 15.42 N ATOM 1415 CA PRO A 95 -6.655 2.862 7.650 1.00 11.01 C ATOM 1416 C PRO A 95 -7.655 1.693 7.449 1.00 44.02 C ATOM 1417 O PRO A 95 -7.781 0.800 8.296 1.00 74.34 O ATOM 1418 CB PRO A 95 -5.348 2.616 6.827 1.00 12.04 C ATOM 1419 CG PRO A 95 -4.234 3.058 7.729 1.00 54.12 C ATOM 1420 CD PRO A 95 -4.704 2.758 9.135 1.00 0.24 C ATOM 0 HA PRO A 95 -7.213 3.746 7.341 1.00 11.01 H new ATOM 0 HB2 PRO A 95 -5.244 1.565 6.556 1.00 12.04 H new ATOM 0 HB3 PRO A 95 -5.353 3.186 5.898 1.00 12.04 H new ATOM 0 HG2 PRO A 95 -3.311 2.524 7.502 1.00 54.12 H new ATOM 0 HG3 PRO A 95 -4.027 4.121 7.604 1.00 54.12 H new ATOM 0 HD2 PRO A 95 -4.480 1.732 9.426 1.00 0.24 H new ATOM 0 HD3 PRO A 95 -4.227 3.408 9.868 1.00 0.24 H new ATOM 1428 N GLU A 96 -8.340 1.710 6.300 1.00 25.02 N ATOM 1429 CA GLU A 96 -9.227 0.611 5.877 1.00 10.31 C ATOM 1430 C GLU A 96 -8.358 -0.447 5.167 1.00 3.25 C ATOM 1431 O GLU A 96 -7.851 -0.195 4.081 1.00 44.14 O ATOM 1432 CB GLU A 96 -10.350 1.153 4.946 1.00 74.14 C ATOM 1433 CG GLU A 96 -11.356 0.096 4.433 1.00 13.33 C ATOM 1434 CD GLU A 96 -12.188 -0.563 5.549 1.00 42.32 C ATOM 1435 OE1 GLU A 96 -13.082 0.110 6.111 1.00 73.22 O ATOM 1436 OE2 GLU A 96 -11.951 -1.749 5.876 1.00 35.04 O ATOM 0 H GLU A 96 -8.298 2.483 5.636 1.00 25.02 H new ATOM 0 HA GLU A 96 -9.721 0.157 6.736 1.00 10.31 H new ATOM 0 HB2 GLU A 96 -10.902 1.925 5.483 1.00 74.14 H new ATOM 0 HB3 GLU A 96 -9.884 1.634 4.086 1.00 74.14 H new ATOM 0 HG2 GLU A 96 -12.031 0.567 3.719 1.00 13.33 H new ATOM 0 HG3 GLU A 96 -10.811 -0.679 3.893 1.00 13.33 H new ATOM 1443 N MET A 97 -8.124 -1.599 5.816 1.00 51.35 N ATOM 1444 CA MET A 97 -7.197 -2.639 5.300 1.00 13.11 C ATOM 1445 C MET A 97 -7.927 -3.976 5.043 1.00 10.11 C ATOM 1446 O MET A 97 -8.512 -4.561 5.958 1.00 22.40 O ATOM 1447 CB MET A 97 -6.006 -2.820 6.280 1.00 14.13 C ATOM 1448 CG MET A 97 -5.094 -1.587 6.392 1.00 52.32 C ATOM 1449 SD MET A 97 -3.652 -1.869 7.441 1.00 45.44 S ATOM 1450 CE MET A 97 -4.388 -2.095 9.057 1.00 24.05 C ATOM 0 H MET A 97 -8.563 -1.841 6.704 1.00 51.35 H new ATOM 0 HA MET A 97 -6.807 -2.305 4.339 1.00 13.11 H new ATOM 0 HB2 MET A 97 -6.396 -3.061 7.269 1.00 14.13 H new ATOM 0 HB3 MET A 97 -5.409 -3.672 5.956 1.00 14.13 H new ATOM 0 HG2 MET A 97 -4.760 -1.297 5.396 1.00 52.32 H new ATOM 0 HG3 MET A 97 -5.669 -0.752 6.791 1.00 52.32 H new ATOM 0 HE1 MET A 97 -3.680 -1.786 9.826 1.00 24.05 H new ATOM 0 HE2 MET A 97 -5.292 -1.491 9.133 1.00 24.05 H new ATOM 0 HE3 MET A 97 -4.641 -3.146 9.198 1.00 24.05 H new ATOM 1460 N GLN A 98 -7.852 -4.464 3.789 1.00 30.24 N ATOM 1461 CA GLN A 98 -8.574 -5.672 3.322 1.00 74.54 C ATOM 1462 C GLN A 98 -7.607 -6.650 2.621 1.00 52.30 C ATOM 1463 O GLN A 98 -6.917 -6.283 1.667 1.00 41.11 O ATOM 1464 CB GLN A 98 -9.724 -5.250 2.360 1.00 33.14 C ATOM 1465 CG GLN A 98 -10.496 -6.389 1.650 1.00 53.01 C ATOM 1466 CD GLN A 98 -11.206 -7.365 2.597 1.00 43.33 C ATOM 1467 OE1 GLN A 98 -10.561 -8.469 2.927 1.00 31.24 O flip ATOM 1468 NE2 GLN A 98 -12.343 -7.146 2.999 1.00 23.34 N flip ATOM 0 H GLN A 98 -7.284 -4.029 3.062 1.00 30.24 H new ATOM 0 HA GLN A 98 -9.001 -6.186 4.183 1.00 74.54 H new ATOM 0 HB2 GLN A 98 -10.441 -4.657 2.928 1.00 33.14 H new ATOM 0 HB3 GLN A 98 -9.304 -4.597 1.595 1.00 33.14 H new ATOM 0 HG2 GLN A 98 -11.236 -5.948 0.982 1.00 53.01 H new ATOM 0 HG3 GLN A 98 -9.799 -6.950 1.027 1.00 53.01 H new ATOM 0 HE21 GLN A 98 -12.822 -6.286 2.731 1.00 23.34 H new ATOM 0 HE22 GLN A 98 -12.810 -7.824 3.601 1.00 23.34 H new ATOM 1477 N LEU A 99 -7.566 -7.891 3.123 1.00 53.42 N ATOM 1478 CA LEU A 99 -6.801 -8.993 2.517 1.00 32.25 C ATOM 1479 C LEU A 99 -7.499 -9.502 1.224 1.00 5.22 C ATOM 1480 O LEU A 99 -8.614 -10.025 1.277 1.00 11.33 O ATOM 1481 CB LEU A 99 -6.648 -10.128 3.560 1.00 71.14 C ATOM 1482 CG LEU A 99 -5.685 -9.823 4.758 1.00 24.21 C ATOM 1483 CD1 LEU A 99 -5.759 -10.916 5.846 1.00 51.15 C ATOM 1484 CD2 LEU A 99 -4.229 -9.631 4.268 1.00 73.31 C ATOM 0 H LEU A 99 -8.067 -8.163 3.969 1.00 53.42 H new ATOM 0 HA LEU A 99 -5.811 -8.639 2.229 1.00 32.25 H new ATOM 0 HB2 LEU A 99 -7.634 -10.364 3.961 1.00 71.14 H new ATOM 0 HB3 LEU A 99 -6.290 -11.021 3.048 1.00 71.14 H new ATOM 0 HG LEU A 99 -6.019 -8.889 5.210 1.00 24.21 H new ATOM 0 HD11 LEU A 99 -5.077 -10.667 6.659 1.00 51.15 H new ATOM 0 HD12 LEU A 99 -6.776 -10.977 6.232 1.00 51.15 H new ATOM 0 HD13 LEU A 99 -5.476 -11.877 5.416 1.00 51.15 H new ATOM 0 HD21 LEU A 99 -3.583 -9.421 5.120 1.00 73.31 H new ATOM 0 HD22 LEU A 99 -3.890 -10.540 3.771 1.00 73.31 H new ATOM 0 HD23 LEU A 99 -4.188 -8.797 3.567 1.00 73.31 H new ATOM 1496 N GLU A 100 -6.831 -9.318 0.073 1.00 31.02 N ATOM 1497 CA GLU A 100 -7.360 -9.699 -1.261 1.00 14.43 C ATOM 1498 C GLU A 100 -6.498 -10.808 -1.909 1.00 61.51 C ATOM 1499 O GLU A 100 -5.281 -10.655 -2.063 1.00 61.44 O ATOM 1500 CB GLU A 100 -7.424 -8.443 -2.175 1.00 12.25 C ATOM 1501 CG GLU A 100 -8.537 -7.432 -1.815 1.00 73.40 C ATOM 1502 CD GLU A 100 -9.955 -8.004 -2.017 1.00 75.12 C ATOM 1503 OE1 GLU A 100 -10.471 -7.957 -3.158 1.00 62.51 O ATOM 1504 OE2 GLU A 100 -10.557 -8.523 -1.049 1.00 31.53 O ATOM 0 H GLU A 100 -5.902 -8.898 0.035 1.00 31.02 H new ATOM 0 HA GLU A 100 -8.366 -10.100 -1.136 1.00 14.43 H new ATOM 0 HB2 GLU A 100 -6.462 -7.932 -2.134 1.00 12.25 H new ATOM 0 HB3 GLU A 100 -7.568 -8.768 -3.205 1.00 12.25 H new ATOM 0 HG2 GLU A 100 -8.419 -7.124 -0.776 1.00 73.40 H new ATOM 0 HG3 GLU A 100 -8.421 -6.538 -2.427 1.00 73.40 H new ATOM 1511 N GLN A 101 -7.152 -11.918 -2.303 1.00 51.12 N ATOM 1512 CA GLN A 101 -6.474 -13.101 -2.875 1.00 23.33 C ATOM 1513 C GLN A 101 -6.519 -13.084 -4.425 1.00 25.11 C ATOM 1514 O GLN A 101 -7.593 -13.111 -5.035 1.00 54.31 O ATOM 1515 CB GLN A 101 -7.095 -14.408 -2.313 1.00 35.53 C ATOM 1516 CG GLN A 101 -7.040 -14.513 -0.769 1.00 53.51 C ATOM 1517 CD GLN A 101 -7.457 -15.876 -0.216 1.00 23.32 C ATOM 1518 OE1 GLN A 101 -7.263 -16.909 -0.848 1.00 70.32 O ATOM 1519 NE2 GLN A 101 -8.029 -15.894 0.972 1.00 34.01 N ATOM 0 H GLN A 101 -8.164 -12.021 -2.234 1.00 51.12 H new ATOM 0 HA GLN A 101 -5.426 -13.064 -2.579 1.00 23.33 H new ATOM 0 HB2 GLN A 101 -8.134 -14.473 -2.635 1.00 35.53 H new ATOM 0 HB3 GLN A 101 -6.573 -15.262 -2.745 1.00 35.53 H new ATOM 0 HG2 GLN A 101 -6.025 -14.295 -0.438 1.00 53.51 H new ATOM 0 HG3 GLN A 101 -7.687 -13.747 -0.341 1.00 53.51 H new ATOM 0 HE21 GLN A 101 -8.180 -15.022 1.479 1.00 34.01 H new ATOM 0 HE22 GLN A 101 -8.321 -16.780 1.384 1.00 34.01 H new ATOM 1528 N VAL A 102 -5.324 -13.024 -5.037 1.00 22.14 N ATOM 1529 CA VAL A 102 -5.121 -12.976 -6.495 1.00 11.25 C ATOM 1530 C VAL A 102 -4.206 -14.149 -6.944 1.00 64.20 C ATOM 1531 O VAL A 102 -3.042 -14.211 -6.535 1.00 61.14 O ATOM 1532 CB VAL A 102 -4.464 -11.609 -6.921 1.00 32.30 C ATOM 1533 CG1 VAL A 102 -4.291 -11.522 -8.454 1.00 61.13 C ATOM 1534 CG2 VAL A 102 -5.251 -10.400 -6.359 1.00 21.42 C ATOM 0 H VAL A 102 -4.447 -13.007 -4.516 1.00 22.14 H new ATOM 0 HA VAL A 102 -6.094 -13.066 -6.978 1.00 11.25 H new ATOM 0 HB VAL A 102 -3.467 -11.572 -6.481 1.00 32.30 H new ATOM 0 HG11 VAL A 102 -3.835 -10.567 -8.715 1.00 61.13 H new ATOM 0 HG12 VAL A 102 -3.650 -12.335 -8.795 1.00 61.13 H new ATOM 0 HG13 VAL A 102 -5.266 -11.602 -8.935 1.00 61.13 H new ATOM 0 HG21 VAL A 102 -4.769 -9.474 -6.673 1.00 21.42 H new ATOM 0 HG22 VAL A 102 -6.273 -10.423 -6.737 1.00 21.42 H new ATOM 0 HG23 VAL A 102 -5.266 -10.450 -5.270 1.00 21.42 H new ATOM 1544 N GLY A 103 -4.733 -15.046 -7.812 1.00 12.45 N ATOM 1545 CA GLY A 103 -3.990 -16.231 -8.304 1.00 45.54 C ATOM 1546 C GLY A 103 -3.396 -17.154 -7.214 1.00 13.35 C ATOM 1547 O GLY A 103 -2.303 -17.706 -7.391 1.00 62.53 O ATOM 0 H GLY A 103 -5.678 -14.970 -8.188 1.00 12.45 H new ATOM 0 HA2 GLY A 103 -4.659 -16.822 -8.929 1.00 45.54 H new ATOM 0 HA3 GLY A 103 -3.178 -15.887 -8.944 1.00 45.54 H new ATOM 1551 N GLY A 104 -4.108 -17.299 -6.079 1.00 21.44 N ATOM 1552 CA GLY A 104 -3.643 -18.130 -4.943 1.00 24.04 C ATOM 1553 C GLY A 104 -2.662 -17.411 -3.997 1.00 74.11 C ATOM 1554 O GLY A 104 -2.239 -17.976 -2.979 1.00 64.41 O ATOM 0 H GLY A 104 -5.011 -16.851 -5.921 1.00 21.44 H new ATOM 0 HA2 GLY A 104 -4.509 -18.459 -4.369 1.00 24.04 H new ATOM 0 HA3 GLY A 104 -3.162 -19.026 -5.335 1.00 24.04 H new ATOM 1558 N LYS A 105 -2.304 -16.165 -4.348 1.00 1.33 N ATOM 1559 CA LYS A 105 -1.424 -15.289 -3.545 1.00 41.20 C ATOM 1560 C LYS A 105 -2.293 -14.300 -2.744 1.00 53.22 C ATOM 1561 O LYS A 105 -3.238 -13.764 -3.289 1.00 53.11 O ATOM 1562 CB LYS A 105 -0.479 -14.493 -4.485 1.00 32.42 C ATOM 1563 CG LYS A 105 0.322 -15.347 -5.489 1.00 60.45 C ATOM 1564 CD LYS A 105 1.303 -16.332 -4.812 1.00 51.40 C ATOM 1565 CE LYS A 105 2.203 -17.056 -5.829 1.00 33.01 C ATOM 1566 NZ LYS A 105 3.147 -17.998 -5.167 1.00 52.32 N ATOM 0 H LYS A 105 -2.622 -15.727 -5.213 1.00 1.33 H new ATOM 0 HA LYS A 105 -0.828 -15.897 -2.864 1.00 41.20 H new ATOM 0 HB2 LYS A 105 -1.073 -13.768 -5.042 1.00 32.42 H new ATOM 0 HB3 LYS A 105 0.223 -13.927 -3.873 1.00 32.42 H new ATOM 0 HG2 LYS A 105 -0.373 -15.909 -6.112 1.00 60.45 H new ATOM 0 HG3 LYS A 105 0.881 -14.686 -6.151 1.00 60.45 H new ATOM 0 HD2 LYS A 105 1.926 -15.789 -4.101 1.00 51.40 H new ATOM 0 HD3 LYS A 105 0.738 -17.069 -4.242 1.00 51.40 H new ATOM 0 HE2 LYS A 105 1.582 -17.604 -6.538 1.00 33.01 H new ATOM 0 HE3 LYS A 105 2.767 -16.320 -6.402 1.00 33.01 H new ATOM 0 HZ1 LYS A 105 3.734 -18.464 -5.887 1.00 52.32 H new ATOM 0 HZ2 LYS A 105 3.758 -17.472 -4.510 1.00 52.32 H new ATOM 0 HZ3 LYS A 105 2.609 -18.716 -4.641 1.00 52.32 H new ATOM 1580 N THR A 106 -1.985 -14.044 -1.466 1.00 41.52 N ATOM 1581 CA THR A 106 -2.807 -13.112 -0.637 1.00 5.22 C ATOM 1582 C THR A 106 -2.063 -11.782 -0.383 1.00 52.22 C ATOM 1583 O THR A 106 -0.913 -11.779 0.039 1.00 31.44 O ATOM 1584 CB THR A 106 -3.241 -13.764 0.715 1.00 2.34 C ATOM 1585 OG1 THR A 106 -3.837 -15.052 0.469 1.00 54.45 O ATOM 1586 CG2 THR A 106 -4.253 -12.885 1.486 1.00 41.43 C ATOM 0 H THR A 106 -1.189 -14.454 -0.977 1.00 41.52 H new ATOM 0 HA THR A 106 -3.711 -12.896 -1.206 1.00 5.22 H new ATOM 0 HB THR A 106 -2.344 -13.868 1.325 1.00 2.34 H new ATOM 0 HG1 THR A 106 -4.105 -15.456 1.320 1.00 54.45 H new ATOM 0 HG21 THR A 106 -4.526 -13.378 2.419 1.00 41.43 H new ATOM 0 HG22 THR A 106 -3.801 -11.918 1.705 1.00 41.43 H new ATOM 0 HG23 THR A 106 -5.146 -12.739 0.878 1.00 41.43 H new ATOM 1594 N LEU A 107 -2.757 -10.659 -0.618 1.00 2.44 N ATOM 1595 CA LEU A 107 -2.182 -9.290 -0.548 1.00 43.42 C ATOM 1596 C LEU A 107 -2.965 -8.460 0.498 1.00 71.01 C ATOM 1597 O LEU A 107 -4.027 -8.885 0.953 1.00 73.11 O ATOM 1598 CB LEU A 107 -2.234 -8.571 -1.943 1.00 52.20 C ATOM 1599 CG LEU A 107 -1.380 -9.182 -3.118 1.00 11.34 C ATOM 1600 CD1 LEU A 107 -2.018 -10.460 -3.717 1.00 34.51 C ATOM 1601 CD2 LEU A 107 -1.126 -8.130 -4.224 1.00 30.32 C ATOM 0 H LEU A 107 -3.746 -10.666 -0.866 1.00 2.44 H new ATOM 0 HA LEU A 107 -1.136 -9.373 -0.254 1.00 43.42 H new ATOM 0 HB2 LEU A 107 -3.275 -8.542 -2.266 1.00 52.20 H new ATOM 0 HB3 LEU A 107 -1.915 -7.539 -1.799 1.00 52.20 H new ATOM 0 HG LEU A 107 -0.423 -9.476 -2.687 1.00 11.34 H new ATOM 0 HD11 LEU A 107 -1.388 -10.838 -4.522 1.00 34.51 H new ATOM 0 HD12 LEU A 107 -2.109 -11.219 -2.940 1.00 34.51 H new ATOM 0 HD13 LEU A 107 -3.006 -10.223 -4.111 1.00 34.51 H new ATOM 0 HD21 LEU A 107 -0.535 -8.577 -5.023 1.00 30.32 H new ATOM 0 HD22 LEU A 107 -2.079 -7.788 -4.626 1.00 30.32 H new ATOM 0 HD23 LEU A 107 -0.585 -7.283 -3.803 1.00 30.32 H new ATOM 1613 N LEU A 108 -2.451 -7.273 0.873 1.00 53.00 N ATOM 1614 CA LEU A 108 -3.182 -6.329 1.756 1.00 2.13 C ATOM 1615 C LEU A 108 -3.360 -4.971 1.041 1.00 30.12 C ATOM 1616 O LEU A 108 -2.376 -4.302 0.716 1.00 54.03 O ATOM 1617 CB LEU A 108 -2.450 -6.114 3.113 1.00 44.11 C ATOM 1618 CG LEU A 108 -3.237 -5.239 4.157 1.00 71.21 C ATOM 1619 CD1 LEU A 108 -4.491 -5.967 4.679 1.00 54.24 C ATOM 1620 CD2 LEU A 108 -2.340 -4.784 5.323 1.00 22.51 C ATOM 0 H LEU A 108 -1.532 -6.940 0.581 1.00 53.00 H new ATOM 0 HA LEU A 108 -4.157 -6.768 1.970 1.00 2.13 H new ATOM 0 HB2 LEU A 108 -2.245 -7.088 3.557 1.00 44.11 H new ATOM 0 HB3 LEU A 108 -1.486 -5.643 2.919 1.00 44.11 H new ATOM 0 HG LEU A 108 -3.566 -4.344 3.629 1.00 71.21 H new ATOM 0 HD11 LEU A 108 -5.008 -5.331 5.398 1.00 54.24 H new ATOM 0 HD12 LEU A 108 -5.157 -6.188 3.845 1.00 54.24 H new ATOM 0 HD13 LEU A 108 -4.196 -6.897 5.164 1.00 54.24 H new ATOM 0 HD21 LEU A 108 -2.925 -4.183 6.019 1.00 22.51 H new ATOM 0 HD22 LEU A 108 -1.946 -5.658 5.841 1.00 22.51 H new ATOM 0 HD23 LEU A 108 -1.513 -4.188 4.935 1.00 22.51 H new ATOM 1632 N VAL A 109 -4.621 -4.588 0.784 1.00 22.40 N ATOM 1633 CA VAL A 109 -4.963 -3.272 0.218 1.00 63.11 C ATOM 1634 C VAL A 109 -5.132 -2.259 1.372 1.00 22.51 C ATOM 1635 O VAL A 109 -5.962 -2.462 2.262 1.00 4.24 O ATOM 1636 CB VAL A 109 -6.278 -3.325 -0.639 1.00 25.41 C ATOM 1637 CG1 VAL A 109 -6.544 -1.968 -1.335 1.00 51.42 C ATOM 1638 CG2 VAL A 109 -6.230 -4.473 -1.671 1.00 70.45 C ATOM 0 H VAL A 109 -5.432 -5.181 0.962 1.00 22.40 H new ATOM 0 HA VAL A 109 -4.154 -2.965 -0.445 1.00 63.11 H new ATOM 0 HB VAL A 109 -7.106 -3.524 0.041 1.00 25.41 H new ATOM 0 HG11 VAL A 109 -7.460 -2.033 -1.921 1.00 51.42 H new ATOM 0 HG12 VAL A 109 -6.650 -1.187 -0.582 1.00 51.42 H new ATOM 0 HG13 VAL A 109 -5.709 -1.727 -1.993 1.00 51.42 H new ATOM 0 HG21 VAL A 109 -7.155 -4.483 -2.248 1.00 70.45 H new ATOM 0 HG22 VAL A 109 -5.385 -4.323 -2.343 1.00 70.45 H new ATOM 0 HG23 VAL A 109 -6.117 -5.425 -1.152 1.00 70.45 H new ATOM 1648 N VAL A 110 -4.327 -1.185 1.361 1.00 51.44 N ATOM 1649 CA VAL A 110 -4.305 -0.175 2.439 1.00 41.12 C ATOM 1650 C VAL A 110 -4.890 1.161 1.936 1.00 2.53 C ATOM 1651 O VAL A 110 -4.254 1.888 1.166 1.00 3.34 O ATOM 1652 CB VAL A 110 -2.845 0.034 2.981 1.00 21.02 C ATOM 1653 CG1 VAL A 110 -2.798 1.028 4.176 1.00 13.04 C ATOM 1654 CG2 VAL A 110 -2.206 -1.326 3.352 1.00 64.00 C ATOM 0 H VAL A 110 -3.671 -0.989 0.605 1.00 51.44 H new ATOM 0 HA VAL A 110 -4.923 -0.539 3.260 1.00 41.12 H new ATOM 0 HB VAL A 110 -2.258 0.484 2.180 1.00 21.02 H new ATOM 0 HG11 VAL A 110 -1.768 1.140 4.516 1.00 13.04 H new ATOM 0 HG12 VAL A 110 -3.183 1.997 3.858 1.00 13.04 H new ATOM 0 HG13 VAL A 110 -3.410 0.645 4.992 1.00 13.04 H new ATOM 0 HG21 VAL A 110 -1.195 -1.163 3.726 1.00 64.00 H new ATOM 0 HG22 VAL A 110 -2.804 -1.811 4.123 1.00 64.00 H new ATOM 0 HG23 VAL A 110 -2.168 -1.963 2.468 1.00 64.00 H new ATOM 1664 N TYR A 111 -6.123 1.446 2.365 1.00 24.32 N ATOM 1665 CA TYR A 111 -6.856 2.671 2.014 1.00 52.33 C ATOM 1666 C TYR A 111 -6.574 3.778 3.053 1.00 2.22 C ATOM 1667 O TYR A 111 -6.990 3.669 4.213 1.00 31.22 O ATOM 1668 CB TYR A 111 -8.367 2.351 1.945 1.00 33.22 C ATOM 1669 CG TYR A 111 -9.250 3.505 1.455 1.00 74.51 C ATOM 1670 CD1 TYR A 111 -9.278 3.843 0.106 1.00 50.53 C ATOM 1671 CD2 TYR A 111 -10.052 4.247 2.329 1.00 20.31 C ATOM 1672 CE1 TYR A 111 -10.065 4.870 -0.355 1.00 61.21 C ATOM 1673 CE2 TYR A 111 -10.844 5.280 1.868 1.00 73.41 C ATOM 1674 CZ TYR A 111 -10.848 5.587 0.526 1.00 50.31 C ATOM 1675 OH TYR A 111 -11.633 6.623 0.060 1.00 4.21 O ATOM 0 H TYR A 111 -6.651 0.823 2.976 1.00 24.32 H new ATOM 0 HA TYR A 111 -6.524 3.034 1.041 1.00 52.33 H new ATOM 0 HB2 TYR A 111 -8.513 1.496 1.285 1.00 33.22 H new ATOM 0 HB3 TYR A 111 -8.705 2.050 2.936 1.00 33.22 H new ATOM 0 HD1 TYR A 111 -8.669 3.287 -0.592 1.00 50.53 H new ATOM 0 HD2 TYR A 111 -10.052 4.008 3.382 1.00 20.31 H new ATOM 0 HE1 TYR A 111 -10.071 5.116 -1.407 1.00 61.21 H new ATOM 0 HE2 TYR A 111 -11.457 5.844 2.556 1.00 73.41 H new ATOM 0 HH TYR A 111 -12.123 7.024 0.808 1.00 4.21 H new ATOM 1685 N VAL A 112 -5.887 4.852 2.623 1.00 74.33 N ATOM 1686 CA VAL A 112 -5.464 5.960 3.507 1.00 30.42 C ATOM 1687 C VAL A 112 -6.266 7.254 3.181 1.00 60.31 C ATOM 1688 O VAL A 112 -5.976 7.929 2.181 1.00 2.52 O ATOM 1689 CB VAL A 112 -3.920 6.247 3.380 1.00 10.05 C ATOM 1690 CG1 VAL A 112 -3.473 7.366 4.359 1.00 42.33 C ATOM 1691 CG2 VAL A 112 -3.080 4.958 3.586 1.00 73.00 C ATOM 0 H VAL A 112 -5.607 4.979 1.650 1.00 74.33 H new ATOM 0 HA VAL A 112 -5.671 5.655 4.533 1.00 30.42 H new ATOM 0 HB VAL A 112 -3.738 6.598 2.364 1.00 10.05 H new ATOM 0 HG11 VAL A 112 -2.403 7.541 4.247 1.00 42.33 H new ATOM 0 HG12 VAL A 112 -4.016 8.284 4.135 1.00 42.33 H new ATOM 0 HG13 VAL A 112 -3.686 7.060 5.383 1.00 42.33 H new ATOM 0 HG21 VAL A 112 -2.020 5.195 3.491 1.00 73.00 H new ATOM 0 HG22 VAL A 112 -3.274 4.552 4.579 1.00 73.00 H new ATOM 0 HG23 VAL A 112 -3.355 4.220 2.833 1.00 73.00 H new ATOM 1701 N PRO A 113 -7.316 7.596 3.993 1.00 14.55 N ATOM 1702 CA PRO A 113 -8.053 8.875 3.854 1.00 44.44 C ATOM 1703 C PRO A 113 -7.397 10.054 4.638 1.00 4.33 C ATOM 1704 O PRO A 113 -6.298 9.921 5.191 1.00 22.10 O ATOM 1705 CB PRO A 113 -9.438 8.495 4.423 1.00 64.45 C ATOM 1706 CG PRO A 113 -9.129 7.530 5.534 1.00 51.45 C ATOM 1707 CD PRO A 113 -7.895 6.756 5.086 1.00 32.52 C ATOM 0 HA PRO A 113 -8.075 9.250 2.831 1.00 44.44 H new ATOM 0 HB2 PRO A 113 -9.970 9.371 4.793 1.00 64.45 H new ATOM 0 HB3 PRO A 113 -10.069 8.037 3.662 1.00 64.45 H new ATOM 0 HG2 PRO A 113 -8.940 8.058 6.469 1.00 51.45 H new ATOM 0 HG3 PRO A 113 -9.968 6.858 5.712 1.00 51.45 H new ATOM 0 HD2 PRO A 113 -7.188 6.624 5.905 1.00 32.52 H new ATOM 0 HD3 PRO A 113 -8.157 5.760 4.728 1.00 32.52 H new ATOM 1715 N GLU A 114 -8.093 11.203 4.666 1.00 1.41 N ATOM 1716 CA GLU A 114 -7.666 12.410 5.415 1.00 44.21 C ATOM 1717 C GLU A 114 -8.318 12.411 6.819 1.00 10.15 C ATOM 1718 O GLU A 114 -9.389 11.820 7.013 1.00 3.34 O ATOM 1719 CB GLU A 114 -8.081 13.684 4.620 1.00 31.22 C ATOM 1720 CG GLU A 114 -7.586 15.035 5.179 1.00 60.03 C ATOM 1721 CD GLU A 114 -8.125 16.235 4.374 1.00 24.44 C ATOM 1722 OE1 GLU A 114 -7.488 16.648 3.381 1.00 32.14 O ATOM 1723 OE2 GLU A 114 -9.208 16.760 4.722 1.00 64.41 O ATOM 0 H GLU A 114 -8.974 11.327 4.168 1.00 1.41 H new ATOM 0 HA GLU A 114 -6.583 12.405 5.535 1.00 44.21 H new ATOM 0 HB2 GLU A 114 -7.715 13.583 3.598 1.00 31.22 H new ATOM 0 HB3 GLU A 114 -9.169 13.714 4.568 1.00 31.22 H new ATOM 0 HG2 GLU A 114 -7.896 15.130 6.220 1.00 60.03 H new ATOM 0 HG3 GLU A 114 -6.496 15.053 5.168 1.00 60.03 H new ATOM 1730 N ALA A 115 -7.663 13.062 7.790 1.00 43.43 N ATOM 1731 CA ALA A 115 -8.188 13.204 9.165 1.00 61.41 C ATOM 1732 C ALA A 115 -9.410 14.153 9.233 1.00 20.34 C ATOM 1733 O ALA A 115 -9.591 15.034 8.382 1.00 33.11 O ATOM 1734 CB ALA A 115 -7.079 13.721 10.091 1.00 3.11 C ATOM 0 H ALA A 115 -6.755 13.506 7.650 1.00 43.43 H new ATOM 0 HA ALA A 115 -8.521 12.219 9.491 1.00 61.41 H new ATOM 0 HB1 ALA A 115 -7.469 13.825 11.103 1.00 3.11 H new ATOM 0 HB2 ALA A 115 -6.248 13.016 10.093 1.00 3.11 H new ATOM 0 HB3 ALA A 115 -6.731 14.691 9.735 1.00 3.11 H new ATOM 1740 N ASP A 116 -10.238 13.949 10.263 1.00 14.02 N ATOM 1741 CA ASP A 116 -11.368 14.841 10.604 1.00 44.23 C ATOM 1742 C ASP A 116 -10.857 16.192 11.182 1.00 21.13 C ATOM 1743 O ASP A 116 -9.722 16.264 11.649 1.00 73.42 O ATOM 1744 CB ASP A 116 -12.263 14.107 11.627 1.00 72.42 C ATOM 1745 CG ASP A 116 -13.583 14.832 11.911 1.00 44.54 C ATOM 1746 OD1 ASP A 116 -14.526 14.703 11.103 1.00 3.32 O ATOM 1747 OD2 ASP A 116 -13.680 15.541 12.932 1.00 61.42 O ATOM 0 H ASP A 116 -10.147 13.153 10.895 1.00 14.02 H new ATOM 0 HA ASP A 116 -11.941 15.075 9.707 1.00 44.23 H new ATOM 0 HB2 ASP A 116 -12.480 13.105 11.256 1.00 72.42 H new ATOM 0 HB3 ASP A 116 -11.713 13.989 12.561 1.00 72.42 H new ATOM 1752 N VAL A 117 -11.697 17.257 11.131 1.00 33.12 N ATOM 1753 CA VAL A 117 -11.359 18.614 11.671 1.00 71.41 C ATOM 1754 C VAL A 117 -10.963 18.603 13.187 1.00 20.04 C ATOM 1755 O VAL A 117 -10.278 19.522 13.660 1.00 64.33 O ATOM 1756 CB VAL A 117 -12.541 19.636 11.437 1.00 74.22 C ATOM 1757 CG1 VAL A 117 -12.121 21.095 11.760 1.00 12.13 C ATOM 1758 CG2 VAL A 117 -13.111 19.532 9.997 1.00 33.04 C ATOM 0 H VAL A 117 -12.628 17.207 10.717 1.00 33.12 H new ATOM 0 HA VAL A 117 -10.481 18.937 11.112 1.00 71.41 H new ATOM 0 HB VAL A 117 -13.334 19.361 12.133 1.00 74.22 H new ATOM 0 HG11 VAL A 117 -12.964 21.763 11.585 1.00 12.13 H new ATOM 0 HG12 VAL A 117 -11.815 21.163 12.804 1.00 12.13 H new ATOM 0 HG13 VAL A 117 -11.289 21.385 11.118 1.00 12.13 H new ATOM 0 HG21 VAL A 117 -13.922 20.250 9.874 1.00 33.04 H new ATOM 0 HG22 VAL A 117 -12.322 19.749 9.277 1.00 33.04 H new ATOM 0 HG23 VAL A 117 -13.490 18.524 9.828 1.00 33.04 H new ATOM 1768 N THR A 118 -11.396 17.553 13.935 1.00 64.33 N ATOM 1769 CA THR A 118 -10.912 17.264 15.329 1.00 32.53 C ATOM 1770 C THR A 118 -9.360 17.213 15.418 1.00 31.44 C ATOM 1771 O THR A 118 -8.789 17.386 16.495 1.00 40.14 O ATOM 1772 CB THR A 118 -11.501 15.923 15.871 1.00 15.43 C ATOM 1773 OG1 THR A 118 -11.265 14.875 14.913 1.00 63.10 O ATOM 1774 CG2 THR A 118 -13.011 16.028 16.166 1.00 64.01 C ATOM 0 H THR A 118 -12.086 16.882 13.599 1.00 64.33 H new ATOM 0 HA THR A 118 -11.265 18.090 15.947 1.00 32.53 H new ATOM 0 HB THR A 118 -10.999 15.696 16.812 1.00 15.43 H new ATOM 0 HG1 THR A 118 -11.633 14.032 15.253 1.00 63.10 H new ATOM 0 HG21 THR A 118 -13.376 15.072 16.541 1.00 64.01 H new ATOM 0 HG22 THR A 118 -13.182 16.801 16.916 1.00 64.01 H new ATOM 0 HG23 THR A 118 -13.543 16.286 15.251 1.00 64.01 H new ATOM 1782 N HIS A 119 -8.701 16.965 14.270 1.00 10.23 N ATOM 1783 CA HIS A 119 -7.259 17.238 14.068 1.00 33.01 C ATOM 1784 C HIS A 119 -7.173 18.546 13.179 1.00 53.23 C ATOM 1785 O HIS A 119 -7.077 19.621 13.763 1.00 11.21 O ATOM 1786 CB HIS A 119 -6.528 15.960 13.573 1.00 0.52 C ATOM 1787 CG HIS A 119 -6.814 14.765 14.439 1.00 33.03 C ATOM 1788 ND1 HIS A 119 -6.301 14.666 15.707 1.00 42.00 N ATOM 1789 CD2 HIS A 119 -7.640 13.712 14.213 1.00 34.21 C ATOM 1790 CE1 HIS A 119 -6.828 13.575 16.223 1.00 22.50 C ATOM 1791 NE2 HIS A 119 -7.640 12.963 15.358 1.00 62.52 N ATOM 0 H HIS A 119 -9.155 16.566 13.448 1.00 10.23 H new ATOM 0 HA HIS A 119 -6.708 17.461 14.982 1.00 33.01 H new ATOM 0 HB2 HIS A 119 -6.832 15.744 12.549 1.00 0.52 H new ATOM 0 HB3 HIS A 119 -5.454 16.143 13.555 1.00 0.52 H new ATOM 0 HD2 HIS A 119 -8.190 13.506 13.307 1.00 34.21 H new ATOM 0 HE1 HIS A 119 -6.628 13.219 17.223 1.00 22.50 H new ATOM 0 HE2 HIS A 119 -8.161 12.101 15.520 1.00 62.52 H new ATOM 1799 N LYS A 120 -7.251 18.589 11.810 1.00 71.23 N ATOM 1800 CA LYS A 120 -6.771 17.632 10.770 1.00 54.52 C ATOM 1801 C LYS A 120 -5.208 17.810 10.511 1.00 51.13 C ATOM 1802 O LYS A 120 -4.509 18.208 11.452 1.00 41.21 O ATOM 1803 CB LYS A 120 -7.705 17.745 9.514 1.00 71.33 C ATOM 1804 CG LYS A 120 -8.046 19.191 9.073 1.00 41.01 C ATOM 1805 CD LYS A 120 -8.743 19.267 7.697 1.00 15.44 C ATOM 1806 CE LYS A 120 -10.091 18.530 7.641 1.00 44.32 C ATOM 1807 NZ LYS A 120 -10.737 18.678 6.309 1.00 1.00 N ATOM 0 H LYS A 120 -7.704 19.387 11.365 1.00 71.23 H new ATOM 0 HA LYS A 120 -6.851 16.597 11.104 1.00 54.52 H new ATOM 0 HB2 LYS A 120 -7.229 17.231 8.679 1.00 71.33 H new ATOM 0 HB3 LYS A 120 -8.635 17.217 9.724 1.00 71.33 H new ATOM 0 HG2 LYS A 120 -8.690 19.649 9.824 1.00 41.01 H new ATOM 0 HG3 LYS A 120 -7.128 19.778 9.040 1.00 41.01 H new ATOM 0 HD2 LYS A 120 -8.901 20.314 7.438 1.00 15.44 H new ATOM 0 HD3 LYS A 120 -8.079 18.848 6.941 1.00 15.44 H new ATOM 0 HE2 LYS A 120 -9.938 17.473 7.857 1.00 44.32 H new ATOM 0 HE3 LYS A 120 -10.753 18.921 8.413 1.00 44.32 H new ATOM 0 HZ1 LYS A 120 -11.748 18.446 6.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 -10.631 19.658 5.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -10.285 18.033 5.630 1.00 1.00 H new ATOM 1821 N PRO A 121 -4.616 17.588 9.261 1.00 73.23 N ATOM 1822 CA PRO A 121 -3.339 16.875 9.029 1.00 5.24 C ATOM 1823 C PRO A 121 -2.625 16.148 10.207 1.00 74.44 C ATOM 1824 O PRO A 121 -2.158 16.759 11.176 1.00 63.31 O ATOM 1825 CB PRO A 121 -2.488 18.005 8.419 1.00 35.30 C ATOM 1826 CG PRO A 121 -3.475 18.759 7.540 1.00 54.14 C ATOM 1827 CD PRO A 121 -4.881 18.320 7.983 1.00 64.25 C ATOM 0 HA PRO A 121 -3.515 15.990 8.417 1.00 5.24 H new ATOM 0 HB2 PRO A 121 -2.064 18.649 9.190 1.00 35.30 H new ATOM 0 HB3 PRO A 121 -1.654 17.611 7.839 1.00 35.30 H new ATOM 0 HG2 PRO A 121 -3.351 19.836 7.654 1.00 54.14 H new ATOM 0 HG3 PRO A 121 -3.311 18.529 6.487 1.00 54.14 H new ATOM 0 HD2 PRO A 121 -5.541 19.174 8.136 1.00 64.25 H new ATOM 0 HD3 PRO A 121 -5.356 17.678 7.241 1.00 64.25 H new ATOM 1835 N ILE A 122 -2.531 14.810 10.059 1.00 72.12 N ATOM 1836 CA ILE A 122 -1.717 13.949 10.925 1.00 10.44 C ATOM 1837 C ILE A 122 -0.229 14.082 10.515 1.00 35.21 C ATOM 1838 O ILE A 122 0.235 13.434 9.566 1.00 62.24 O ATOM 1839 CB ILE A 122 -2.160 12.436 10.842 1.00 53.11 C ATOM 1840 CG1 ILE A 122 -3.709 12.289 11.004 1.00 5.41 C ATOM 1841 CG2 ILE A 122 -1.405 11.554 11.878 1.00 41.11 C ATOM 1842 CD1 ILE A 122 -4.301 12.909 12.262 1.00 42.01 C ATOM 0 H ILE A 122 -3.024 14.298 9.327 1.00 72.12 H new ATOM 0 HA ILE A 122 -1.859 14.274 11.956 1.00 10.44 H new ATOM 0 HB ILE A 122 -1.889 12.077 9.849 1.00 53.11 H new ATOM 0 HG12 ILE A 122 -4.191 12.740 10.137 1.00 5.41 H new ATOM 0 HG13 ILE A 122 -3.958 11.228 10.992 1.00 5.41 H new ATOM 0 HG21 ILE A 122 -1.739 10.520 11.788 1.00 41.11 H new ATOM 0 HG22 ILE A 122 -0.333 11.607 11.688 1.00 41.11 H new ATOM 0 HG23 ILE A 122 -1.614 11.916 12.885 1.00 41.11 H new ATOM 0 HD11 ILE A 122 -5.379 12.749 12.274 1.00 42.01 H new ATOM 0 HD12 ILE A 122 -3.856 12.443 13.141 1.00 42.01 H new ATOM 0 HD13 ILE A 122 -4.092 13.979 12.273 1.00 42.01 H new ATOM 1854 N TYR A 123 0.488 14.989 11.195 1.00 42.23 N ATOM 1855 CA TYR A 123 1.923 15.246 10.943 1.00 54.52 C ATOM 1856 C TYR A 123 2.806 14.169 11.616 1.00 24.52 C ATOM 1857 O TYR A 123 2.317 13.329 12.372 1.00 0.03 O ATOM 1858 CB TYR A 123 2.305 16.688 11.407 1.00 33.14 C ATOM 1859 CG TYR A 123 1.820 17.079 12.823 1.00 72.14 C ATOM 1860 CD1 TYR A 123 2.584 16.807 13.962 1.00 24.52 C ATOM 1861 CD2 TYR A 123 0.586 17.721 13.012 1.00 22.13 C ATOM 1862 CE1 TYR A 123 2.140 17.158 15.227 1.00 13.42 C ATOM 1863 CE2 TYR A 123 0.145 18.073 14.271 1.00 34.42 C ATOM 1864 CZ TYR A 123 0.921 17.791 15.375 1.00 41.53 C ATOM 1865 OH TYR A 123 0.468 18.123 16.634 1.00 54.10 O ATOM 0 H TYR A 123 0.094 15.568 11.937 1.00 42.23 H new ATOM 0 HA TYR A 123 2.107 15.183 9.870 1.00 54.52 H new ATOM 0 HB2 TYR A 123 3.390 16.787 11.373 1.00 33.14 H new ATOM 0 HB3 TYR A 123 1.897 17.402 10.691 1.00 33.14 H new ATOM 0 HD1 TYR A 123 3.539 16.314 13.854 1.00 24.52 H new ATOM 0 HD2 TYR A 123 -0.031 17.944 12.154 1.00 22.13 H new ATOM 0 HE1 TYR A 123 2.745 16.937 16.094 1.00 13.42 H new ATOM 0 HE2 TYR A 123 -0.807 18.569 14.392 1.00 34.42 H new ATOM 0 HH TYR A 123 -0.405 18.563 16.562 1.00 54.10 H new ATOM 1875 N LYS A 124 4.105 14.170 11.313 1.00 12.13 N ATOM 1876 CA LYS A 124 5.055 13.205 11.903 1.00 13.50 C ATOM 1877 C LYS A 124 5.650 13.809 13.200 1.00 23.54 C ATOM 1878 O LYS A 124 6.659 14.507 13.144 1.00 72.13 O ATOM 1879 CB LYS A 124 6.146 12.880 10.853 1.00 32.12 C ATOM 1880 CG LYS A 124 7.139 11.760 11.238 1.00 60.12 C ATOM 1881 CD LYS A 124 8.201 11.541 10.135 1.00 74.11 C ATOM 1882 CE LYS A 124 9.227 10.450 10.482 1.00 20.30 C ATOM 1883 NZ LYS A 124 10.260 10.327 9.423 1.00 61.34 N ATOM 0 H LYS A 124 4.532 14.828 10.661 1.00 12.13 H new ATOM 0 HA LYS A 124 4.557 12.273 12.172 1.00 13.50 H new ATOM 0 HB2 LYS A 124 5.655 12.599 9.921 1.00 32.12 H new ATOM 0 HB3 LYS A 124 6.713 13.789 10.653 1.00 32.12 H new ATOM 0 HG2 LYS A 124 7.633 12.017 12.175 1.00 60.12 H new ATOM 0 HG3 LYS A 124 6.594 10.832 11.409 1.00 60.12 H new ATOM 0 HD2 LYS A 124 7.699 11.274 9.205 1.00 74.11 H new ATOM 0 HD3 LYS A 124 8.726 12.479 9.955 1.00 74.11 H new ATOM 0 HE2 LYS A 124 9.704 10.685 11.433 1.00 20.30 H new ATOM 0 HE3 LYS A 124 8.717 9.495 10.609 1.00 20.30 H new ATOM 0 HZ1 LYS A 124 10.938 9.583 9.685 1.00 61.34 H new ATOM 0 HZ2 LYS A 124 9.805 10.079 8.521 1.00 61.34 H new ATOM 0 HZ3 LYS A 124 10.761 11.232 9.320 1.00 61.34 H new