USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1135 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 126 SER OG : rot -25:sc=-0.00491 USER MOD Set 1.2: A 128 SER OG : rot 90:sc= -0.0664 USER MOD Set 2.1: A 96 TYR OH : rot 151:sc= 0.893 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -164:sc= 1.03 (180deg=0) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -156:sc= 0.724 (180deg=-0.169) USER MOD Set 3.2: A 72 TYR OH : rot -30:sc= 0.663 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.115 (180deg=0.027) USER MOD Single : A 9 THR OG1 : rot 140:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.52 (180deg=0.248) USER MOD Single : A 23 GLN : amide:sc= -5.05! K(o=-5.1!,f=-0.45) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-5.4!) USER MOD Single : A 28 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.0024) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -150:sc= -0.135 USER MOD Single : A 34 THR OG1 : rot -143:sc= 0.243 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.136) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0.567 (180deg=0.567) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0078) USER MOD Single : A 50 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.015) USER MOD Single : A 67 LYS NZ :NH3+ -127:sc= 1.26 (180deg=-0.15) USER MOD Single : A 74 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0.572 (180deg=0.395) USER MOD Single : A 99 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-0.721) USER MOD Single : A 101 LYS NZ :NH3+ -110:sc= 0.0416 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 0.396 (180deg=0.391) USER MOD Single : A 104 TYR OH : rot 30:sc= -0.551 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -24:sc= -0.0683 USER MOD Single : A 111 ASN : amide:sc= -0.96 K(o=-0.96,f=-5.2!) USER MOD Single : A 116 LYS NZ :NH3+ 140:sc= -0.509! (180deg=-2.12!) USER MOD Single : A 117 LYS NZ :NH3+ 161:sc= 0.75 (180deg=0.503) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 176:sc= 0.564 (180deg=0.556) USER MOD Single : A 125 LYS NZ :NH3+ -166:sc= -0.0672 (180deg=-0.314) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.00055) USER MOD Single : A 132 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.01) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.646 -2.696 16.072 1.00 60.23 N ATOM 2 CA MET A 1 3.833 -1.807 15.990 1.00 62.31 C ATOM 3 C MET A 1 4.486 -1.950 14.601 1.00 24.02 C ATOM 4 O MET A 1 5.233 -2.905 14.346 1.00 45.13 O ATOM 5 CB MET A 1 4.839 -2.136 17.130 1.00 72.33 C ATOM 6 CG MET A 1 4.273 -1.925 18.542 1.00 22.44 C ATOM 7 SD MET A 1 5.490 -2.263 19.840 1.00 41.22 S ATOM 8 CE MET A 1 4.538 -1.943 21.329 1.00 13.40 C ATOM 0 H1 MET A 1 2.118 -2.491 16.944 1.00 60.23 H new ATOM 0 H2 MET A 1 2.032 -2.532 15.249 1.00 60.23 H new ATOM 0 H3 MET A 1 2.956 -3.689 16.080 1.00 60.23 H new ATOM 0 HA MET A 1 3.522 -0.770 16.120 1.00 62.31 H new ATOM 0 HB2 MET A 1 5.160 -3.173 17.029 1.00 72.33 H new ATOM 0 HB3 MET A 1 5.726 -1.514 17.009 1.00 72.33 H new ATOM 0 HG2 MET A 1 3.921 -0.898 18.638 1.00 22.44 H new ATOM 0 HG3 MET A 1 3.408 -2.573 18.683 1.00 22.44 H new ATOM 0 HE1 MET A 1 5.164 -2.112 22.205 1.00 13.40 H new ATOM 0 HE2 MET A 1 4.192 -0.909 21.325 1.00 13.40 H new ATOM 0 HE3 MET A 1 3.679 -2.613 21.362 1.00 13.40 H new ATOM 20 N GLY A 2 4.146 -1.008 13.705 1.00 5.32 N ATOM 21 CA GLY A 2 4.547 -1.039 12.293 1.00 0.33 C ATOM 22 C GLY A 2 3.371 -0.650 11.398 1.00 20.13 C ATOM 23 O GLY A 2 2.227 -0.591 11.871 1.00 51.44 O ATOM 0 H GLY A 2 3.579 -0.195 13.946 1.00 5.32 H new ATOM 0 HA2 GLY A 2 5.379 -0.354 12.129 1.00 0.33 H new ATOM 0 HA3 GLY A 2 4.899 -2.037 12.030 1.00 0.33 H new ATOM 27 N VAL A 3 3.632 -0.374 10.108 1.00 44.13 N ATOM 28 CA VAL A 3 2.591 0.071 9.144 1.00 53.05 C ATOM 29 C VAL A 3 2.785 -0.659 7.806 1.00 52.40 C ATOM 30 O VAL A 3 3.902 -0.778 7.321 1.00 25.12 O ATOM 31 CB VAL A 3 2.642 1.643 8.916 1.00 4.24 C ATOM 32 CG1 VAL A 3 1.659 2.117 7.815 1.00 73.33 C ATOM 33 CG2 VAL A 3 2.368 2.406 10.234 1.00 23.31 C ATOM 0 H VAL A 3 4.563 -0.450 9.699 1.00 44.13 H new ATOM 0 HA VAL A 3 1.614 -0.173 9.561 1.00 53.05 H new ATOM 0 HB VAL A 3 3.652 1.871 8.575 1.00 4.24 H new ATOM 0 HG11 VAL A 3 1.735 3.198 7.700 1.00 73.33 H new ATOM 0 HG12 VAL A 3 1.910 1.634 6.871 1.00 73.33 H new ATOM 0 HG13 VAL A 3 0.640 1.853 8.099 1.00 73.33 H new ATOM 0 HG21 VAL A 3 2.409 3.479 10.048 1.00 23.31 H new ATOM 0 HG22 VAL A 3 1.380 2.140 10.610 1.00 23.31 H new ATOM 0 HG23 VAL A 3 3.122 2.137 10.974 1.00 23.31 H new ATOM 43 N VAL A 4 1.695 -1.180 7.234 1.00 22.02 N ATOM 44 CA VAL A 4 1.703 -1.809 5.904 1.00 12.02 C ATOM 45 C VAL A 4 0.869 -0.951 4.943 1.00 0.01 C ATOM 46 O VAL A 4 -0.348 -0.812 5.116 1.00 43.12 O ATOM 47 CB VAL A 4 1.133 -3.269 5.952 1.00 71.33 C ATOM 48 CG1 VAL A 4 1.185 -3.946 4.563 1.00 24.24 C ATOM 49 CG2 VAL A 4 1.881 -4.121 7.002 1.00 22.10 C ATOM 0 H VAL A 4 0.778 -1.179 7.680 1.00 22.02 H new ATOM 0 HA VAL A 4 2.734 -1.872 5.556 1.00 12.02 H new ATOM 0 HB VAL A 4 0.086 -3.200 6.248 1.00 71.33 H new ATOM 0 HG11 VAL A 4 0.782 -4.956 4.635 1.00 24.24 H new ATOM 0 HG12 VAL A 4 0.592 -3.368 3.854 1.00 24.24 H new ATOM 0 HG13 VAL A 4 2.218 -3.991 4.219 1.00 24.24 H new ATOM 0 HG21 VAL A 4 1.466 -5.129 7.015 1.00 22.10 H new ATOM 0 HG22 VAL A 4 2.939 -4.167 6.746 1.00 22.10 H new ATOM 0 HG23 VAL A 4 1.766 -3.668 7.987 1.00 22.10 H new ATOM 59 N ILE A 5 1.542 -0.356 3.948 1.00 63.33 N ATOM 60 CA ILE A 5 0.902 0.479 2.932 1.00 33.35 C ATOM 61 C ILE A 5 0.681 -0.365 1.660 1.00 30.11 C ATOM 62 O ILE A 5 1.628 -0.668 0.944 1.00 22.14 O ATOM 63 CB ILE A 5 1.752 1.764 2.563 1.00 51.24 C ATOM 64 CG1 ILE A 5 2.229 2.572 3.828 1.00 50.25 C ATOM 65 CG2 ILE A 5 0.936 2.676 1.613 1.00 51.13 C ATOM 66 CD1 ILE A 5 3.478 2.041 4.521 1.00 61.12 C ATOM 0 H ILE A 5 2.551 -0.443 3.828 1.00 63.33 H new ATOM 0 HA ILE A 5 -0.044 0.829 3.345 1.00 33.35 H new ATOM 0 HB ILE A 5 2.656 1.419 2.061 1.00 51.24 H new ATOM 0 HG12 ILE A 5 2.413 3.604 3.529 1.00 50.25 H new ATOM 0 HG13 ILE A 5 1.415 2.591 4.552 1.00 50.25 H new ATOM 0 HG21 ILE A 5 1.524 3.559 1.362 1.00 51.13 H new ATOM 0 HG22 ILE A 5 0.695 2.129 0.702 1.00 51.13 H new ATOM 0 HG23 ILE A 5 0.014 2.983 2.106 1.00 51.13 H new ATOM 0 HD11 ILE A 5 3.715 2.672 5.377 1.00 61.12 H new ATOM 0 HD12 ILE A 5 3.300 1.021 4.861 1.00 61.12 H new ATOM 0 HD13 ILE A 5 4.314 2.050 3.821 1.00 61.12 H new ATOM 78 N LEU A 6 -0.578 -0.726 1.384 1.00 74.31 N ATOM 79 CA LEU A 6 -0.963 -1.505 0.195 1.00 74.54 C ATOM 80 C LEU A 6 -1.471 -0.558 -0.886 1.00 75.42 C ATOM 81 O LEU A 6 -2.589 -0.054 -0.802 1.00 52.43 O ATOM 82 CB LEU A 6 -2.066 -2.507 0.588 1.00 4.05 C ATOM 83 CG LEU A 6 -1.694 -3.448 1.760 1.00 63.23 C ATOM 84 CD1 LEU A 6 -2.881 -4.283 2.192 1.00 44.35 C ATOM 85 CD2 LEU A 6 -0.501 -4.335 1.398 1.00 11.41 C ATOM 0 H LEU A 6 -1.367 -0.485 1.983 1.00 74.31 H new ATOM 0 HA LEU A 6 -0.102 -2.051 -0.191 1.00 74.54 H new ATOM 0 HB2 LEU A 6 -2.964 -1.951 0.857 1.00 4.05 H new ATOM 0 HB3 LEU A 6 -2.315 -3.114 -0.283 1.00 4.05 H new ATOM 0 HG LEU A 6 -1.402 -2.824 2.605 1.00 63.23 H new ATOM 0 HD11 LEU A 6 -2.588 -4.933 3.016 1.00 44.35 H new ATOM 0 HD12 LEU A 6 -3.688 -3.627 2.517 1.00 44.35 H new ATOM 0 HD13 LEU A 6 -3.222 -4.891 1.354 1.00 44.35 H new ATOM 0 HD21 LEU A 6 -0.262 -4.985 2.240 1.00 11.41 H new ATOM 0 HD22 LEU A 6 -0.751 -4.944 0.529 1.00 11.41 H new ATOM 0 HD23 LEU A 6 0.361 -3.709 1.167 1.00 11.41 H new ATOM 97 N VAL A 7 -0.638 -0.314 -1.890 1.00 22.21 N ATOM 98 CA VAL A 7 -0.955 0.616 -2.963 1.00 73.21 C ATOM 99 C VAL A 7 -1.541 -0.160 -4.166 1.00 33.23 C ATOM 100 O VAL A 7 -0.807 -0.832 -4.889 1.00 32.02 O ATOM 101 CB VAL A 7 0.316 1.438 -3.387 1.00 12.33 C ATOM 102 CG1 VAL A 7 -0.056 2.522 -4.411 1.00 3.43 C ATOM 103 CG2 VAL A 7 1.026 2.066 -2.157 1.00 10.55 C ATOM 0 H VAL A 7 0.277 -0.756 -1.982 1.00 22.21 H new ATOM 0 HA VAL A 7 -1.700 1.327 -2.606 1.00 73.21 H new ATOM 0 HB VAL A 7 1.016 0.745 -3.854 1.00 12.33 H new ATOM 0 HG11 VAL A 7 0.838 3.080 -4.691 1.00 3.43 H new ATOM 0 HG12 VAL A 7 -0.485 2.054 -5.297 1.00 3.43 H new ATOM 0 HG13 VAL A 7 -0.785 3.203 -3.972 1.00 3.43 H new ATOM 0 HG21 VAL A 7 1.900 2.627 -2.488 1.00 10.55 H new ATOM 0 HG22 VAL A 7 0.338 2.737 -1.643 1.00 10.55 H new ATOM 0 HG23 VAL A 7 1.339 1.276 -1.475 1.00 10.55 H new ATOM 113 N LEU A 8 -2.874 -0.041 -4.361 1.00 74.21 N ATOM 114 CA LEU A 8 -3.603 -0.702 -5.463 1.00 34.30 C ATOM 115 C LEU A 8 -3.557 0.213 -6.687 1.00 21.30 C ATOM 116 O LEU A 8 -4.313 1.172 -6.779 1.00 65.24 O ATOM 117 CB LEU A 8 -5.093 -0.994 -5.070 1.00 2.13 C ATOM 118 CG LEU A 8 -5.367 -2.199 -4.105 1.00 1.45 C ATOM 119 CD1 LEU A 8 -4.633 -2.053 -2.757 1.00 62.22 C ATOM 120 CD2 LEU A 8 -6.891 -2.388 -3.894 1.00 63.22 C ATOM 0 H LEU A 8 -3.475 0.518 -3.755 1.00 74.21 H new ATOM 0 HA LEU A 8 -3.128 -1.659 -5.681 1.00 34.30 H new ATOM 0 HB2 LEU A 8 -5.501 -0.095 -4.609 1.00 2.13 H new ATOM 0 HB3 LEU A 8 -5.655 -1.164 -5.988 1.00 2.13 H new ATOM 0 HG LEU A 8 -4.966 -3.094 -4.582 1.00 1.45 H new ATOM 0 HD11 LEU A 8 -4.856 -2.913 -2.126 1.00 62.22 H new ATOM 0 HD12 LEU A 8 -3.558 -2.000 -2.932 1.00 62.22 H new ATOM 0 HD13 LEU A 8 -4.965 -1.142 -2.259 1.00 62.22 H new ATOM 0 HD21 LEU A 8 -7.064 -3.228 -3.222 1.00 63.22 H new ATOM 0 HD22 LEU A 8 -7.313 -1.482 -3.459 1.00 63.22 H new ATOM 0 HD23 LEU A 8 -7.369 -2.586 -4.853 1.00 63.22 H new ATOM 132 N THR A 9 -2.689 -0.117 -7.630 1.00 20.34 N ATOM 133 CA THR A 9 -2.426 0.710 -8.807 1.00 21.13 C ATOM 134 C THR A 9 -3.042 0.046 -10.036 1.00 60.12 C ATOM 135 O THR A 9 -2.966 -1.178 -10.189 1.00 34.14 O ATOM 136 CB THR A 9 -0.884 0.874 -9.023 1.00 42.11 C ATOM 137 OG1 THR A 9 -0.255 -0.419 -9.083 1.00 14.44 O ATOM 138 CG2 THR A 9 -0.225 1.702 -7.911 1.00 22.34 C ATOM 0 H THR A 9 -2.139 -0.975 -7.604 1.00 20.34 H new ATOM 0 HA THR A 9 -2.868 1.695 -8.655 1.00 21.13 H new ATOM 0 HB THR A 9 -0.748 1.406 -9.965 1.00 42.11 H new ATOM 0 HG1 THR A 9 0.435 -0.415 -9.779 1.00 14.44 H new ATOM 0 HG21 THR A 9 0.844 1.787 -8.106 1.00 22.34 H new ATOM 0 HG22 THR A 9 -0.670 2.697 -7.886 1.00 22.34 H new ATOM 0 HG23 THR A 9 -0.381 1.211 -6.951 1.00 22.34 H new ATOM 146 N GLY A 10 -3.668 0.859 -10.900 1.00 14.12 N ATOM 147 CA GLY A 10 -4.109 0.391 -12.217 1.00 42.32 C ATOM 148 C GLY A 10 -2.932 0.098 -13.141 1.00 51.43 C ATOM 149 O GLY A 10 -3.046 -0.704 -14.080 1.00 32.30 O ATOM 0 H GLY A 10 -3.878 1.839 -10.709 1.00 14.12 H new ATOM 0 HA2 GLY A 10 -4.711 -0.510 -12.099 1.00 42.32 H new ATOM 0 HA3 GLY A 10 -4.750 1.145 -12.674 1.00 42.32 H new ATOM 153 N ASP A 11 -1.794 0.755 -12.855 1.00 31.35 N ATOM 154 CA ASP A 11 -0.565 0.675 -13.655 1.00 13.13 C ATOM 155 C ASP A 11 0.633 0.376 -12.740 1.00 5.20 C ATOM 156 O ASP A 11 0.859 1.100 -11.764 1.00 62.44 O ATOM 157 CB ASP A 11 -0.319 2.017 -14.396 1.00 42.41 C ATOM 158 CG ASP A 11 -1.490 2.430 -15.303 1.00 34.52 C ATOM 159 OD1 ASP A 11 -1.531 1.997 -16.472 1.00 64.24 O ATOM 160 OD2 ASP A 11 -2.386 3.172 -14.844 1.00 21.04 O ATOM 0 H ASP A 11 -1.704 1.368 -12.045 1.00 31.35 H new ATOM 0 HA ASP A 11 -0.677 -0.125 -14.387 1.00 13.13 H new ATOM 0 HB2 ASP A 11 -0.141 2.803 -13.662 1.00 42.41 H new ATOM 0 HB3 ASP A 11 0.586 1.932 -14.998 1.00 42.41 H new ATOM 165 N GLU A 12 1.406 -0.672 -13.079 1.00 62.34 N ATOM 166 CA GLU A 12 2.677 -1.001 -12.392 1.00 62.40 C ATOM 167 C GLU A 12 3.722 0.112 -12.582 1.00 31.21 C ATOM 168 O GLU A 12 4.675 0.201 -11.809 1.00 11.41 O ATOM 169 CB GLU A 12 3.229 -2.362 -12.875 1.00 30.33 C ATOM 170 CG GLU A 12 2.367 -3.562 -12.441 1.00 34.54 C ATOM 171 CD GLU A 12 2.849 -4.894 -13.035 1.00 72.42 C ATOM 172 OE1 GLU A 12 2.434 -5.241 -14.161 1.00 33.01 O ATOM 173 OE2 GLU A 12 3.644 -5.605 -12.382 1.00 3.40 O ATOM 0 H GLU A 12 1.171 -1.316 -13.835 1.00 62.34 H new ATOM 0 HA GLU A 12 2.465 -1.078 -11.326 1.00 62.40 H new ATOM 0 HB2 GLU A 12 3.301 -2.351 -13.963 1.00 30.33 H new ATOM 0 HB3 GLU A 12 4.240 -2.493 -12.490 1.00 30.33 H new ATOM 0 HG2 GLU A 12 2.373 -3.632 -11.353 1.00 34.54 H new ATOM 0 HG3 GLU A 12 1.334 -3.388 -12.743 1.00 34.54 H new ATOM 180 N ARG A 13 3.562 0.913 -13.656 1.00 31.22 N ATOM 181 CA ARG A 13 4.361 2.122 -13.887 1.00 63.10 C ATOM 182 C ARG A 13 4.205 3.109 -12.708 1.00 23.41 C ATOM 183 O ARG A 13 5.201 3.641 -12.222 1.00 33.23 O ATOM 184 CB ARG A 13 3.954 2.792 -15.227 1.00 75.32 C ATOM 185 CG ARG A 13 4.718 4.100 -15.550 1.00 65.50 C ATOM 186 CD ARG A 13 6.243 3.894 -15.653 1.00 71.31 C ATOM 187 NE ARG A 13 6.970 5.169 -15.794 1.00 44.21 N ATOM 188 CZ ARG A 13 8.276 5.284 -16.094 1.00 12.04 C ATOM 189 NH1 ARG A 13 9.035 4.203 -16.288 1.00 11.33 N ATOM 190 NH2 ARG A 13 8.826 6.485 -16.175 1.00 54.41 N ATOM 0 H ARG A 13 2.872 0.734 -14.386 1.00 31.22 H new ATOM 0 HA ARG A 13 5.411 1.837 -13.953 1.00 63.10 H new ATOM 0 HB2 ARG A 13 4.117 2.082 -16.038 1.00 75.32 H new ATOM 0 HB3 ARG A 13 2.886 3.007 -15.201 1.00 75.32 H new ATOM 0 HG2 ARG A 13 4.347 4.509 -16.490 1.00 65.50 H new ATOM 0 HG3 ARG A 13 4.508 4.838 -14.776 1.00 65.50 H new ATOM 0 HD2 ARG A 13 6.598 3.372 -14.764 1.00 71.31 H new ATOM 0 HD3 ARG A 13 6.465 3.255 -16.508 1.00 71.31 H new ATOM 0 HE ARG A 13 6.442 6.030 -15.653 1.00 44.21 H new ATOM 0 HH11 ARG A 13 8.626 3.272 -16.209 1.00 11.33 H new ATOM 0 HH12 ARG A 13 10.024 4.308 -16.515 1.00 11.33 H new ATOM 0 HH21 ARG A 13 8.260 7.317 -16.010 1.00 54.41 H new ATOM 0 HH22 ARG A 13 9.816 6.578 -16.402 1.00 54.41 H new ATOM 204 N ILE A 14 2.945 3.320 -12.247 1.00 34.12 N ATOM 205 CA ILE A 14 2.656 4.154 -11.060 1.00 72.11 C ATOM 206 C ILE A 14 3.352 3.554 -9.823 1.00 13.24 C ATOM 207 O ILE A 14 4.004 4.272 -9.065 1.00 53.12 O ATOM 208 CB ILE A 14 1.106 4.270 -10.776 1.00 42.22 C ATOM 209 CG1 ILE A 14 0.364 4.964 -11.959 1.00 34.25 C ATOM 210 CG2 ILE A 14 0.831 5.013 -9.445 1.00 74.44 C ATOM 211 CD1 ILE A 14 -1.156 4.998 -11.826 1.00 64.12 C ATOM 0 H ILE A 14 2.114 2.921 -12.683 1.00 34.12 H new ATOM 0 HA ILE A 14 3.036 5.155 -11.265 1.00 72.11 H new ATOM 0 HB ILE A 14 0.716 3.257 -10.682 1.00 42.22 H new ATOM 0 HG12 ILE A 14 0.730 5.987 -12.050 1.00 34.25 H new ATOM 0 HG13 ILE A 14 0.623 4.449 -12.884 1.00 34.25 H new ATOM 0 HG21 ILE A 14 -0.244 5.076 -9.279 1.00 74.44 H new ATOM 0 HG22 ILE A 14 1.294 4.469 -8.622 1.00 74.44 H new ATOM 0 HG23 ILE A 14 1.250 6.018 -9.496 1.00 74.44 H new ATOM 0 HD11 ILE A 14 -1.586 5.499 -12.693 1.00 64.12 H new ATOM 0 HD12 ILE A 14 -1.539 3.979 -11.768 1.00 64.12 H new ATOM 0 HD13 ILE A 14 -1.430 5.540 -10.921 1.00 64.12 H new ATOM 223 N ALA A 15 3.208 2.222 -9.671 1.00 21.01 N ATOM 224 CA ALA A 15 3.801 1.456 -8.563 1.00 65.12 C ATOM 225 C ALA A 15 5.339 1.612 -8.514 1.00 2.21 C ATOM 226 O ALA A 15 5.918 1.714 -7.431 1.00 41.32 O ATOM 227 CB ALA A 15 3.401 -0.025 -8.692 1.00 24.01 C ATOM 0 H ALA A 15 2.672 1.646 -10.320 1.00 21.01 H new ATOM 0 HA ALA A 15 3.414 1.853 -7.624 1.00 65.12 H new ATOM 0 HB1 ALA A 15 3.840 -0.593 -7.872 1.00 24.01 H new ATOM 0 HB2 ALA A 15 2.315 -0.113 -8.655 1.00 24.01 H new ATOM 0 HB3 ALA A 15 3.764 -0.419 -9.641 1.00 24.01 H new ATOM 233 N GLU A 16 5.974 1.649 -9.706 1.00 22.34 N ATOM 234 CA GLU A 16 7.434 1.857 -9.844 1.00 33.21 C ATOM 235 C GLU A 16 7.845 3.299 -9.471 1.00 54.24 C ATOM 236 O GLU A 16 8.880 3.515 -8.821 1.00 63.42 O ATOM 237 CB GLU A 16 7.891 1.559 -11.295 1.00 4.32 C ATOM 238 CG GLU A 16 9.433 1.638 -11.510 1.00 3.32 C ATOM 239 CD GLU A 16 10.193 0.354 -11.121 1.00 31.41 C ATOM 240 OE1 GLU A 16 10.164 -0.038 -9.938 1.00 45.43 O ATOM 241 OE2 GLU A 16 10.869 -0.244 -11.985 1.00 71.31 O ATOM 0 H GLU A 16 5.491 1.536 -10.598 1.00 22.34 H new ATOM 0 HA GLU A 16 7.921 1.168 -9.154 1.00 33.21 H new ATOM 0 HB2 GLU A 16 7.547 0.563 -11.575 1.00 4.32 H new ATOM 0 HB3 GLU A 16 7.405 2.265 -11.969 1.00 4.32 H new ATOM 0 HG2 GLU A 16 9.631 1.860 -12.559 1.00 3.32 H new ATOM 0 HG3 GLU A 16 9.827 2.471 -10.928 1.00 3.32 H new ATOM 248 N GLU A 17 7.036 4.283 -9.910 1.00 44.13 N ATOM 249 CA GLU A 17 7.305 5.709 -9.654 1.00 44.24 C ATOM 250 C GLU A 17 7.130 6.045 -8.157 1.00 54.05 C ATOM 251 O GLU A 17 7.804 6.923 -7.621 1.00 25.13 O ATOM 252 CB GLU A 17 6.412 6.613 -10.542 1.00 12.23 C ATOM 253 CG GLU A 17 6.648 6.485 -12.063 1.00 74.13 C ATOM 254 CD GLU A 17 8.092 6.799 -12.497 1.00 52.24 C ATOM 255 OE1 GLU A 17 8.462 7.990 -12.559 1.00 70.21 O ATOM 256 OE2 GLU A 17 8.867 5.864 -12.781 1.00 55.33 O ATOM 0 H GLU A 17 6.186 4.113 -10.447 1.00 44.13 H new ATOM 0 HA GLU A 17 8.343 5.908 -9.919 1.00 44.24 H new ATOM 0 HB2 GLU A 17 5.368 6.382 -10.332 1.00 12.23 H new ATOM 0 HB3 GLU A 17 6.573 7.651 -10.252 1.00 12.23 H new ATOM 0 HG2 GLU A 17 6.397 5.472 -12.376 1.00 74.13 H new ATOM 0 HG3 GLU A 17 5.967 7.158 -12.585 1.00 74.13 H new ATOM 263 N LEU A 18 6.224 5.323 -7.496 1.00 23.34 N ATOM 264 CA LEU A 18 6.032 5.403 -6.046 1.00 51.31 C ATOM 265 C LEU A 18 7.176 4.677 -5.307 1.00 5.42 C ATOM 266 O LEU A 18 7.595 5.110 -4.233 1.00 13.24 O ATOM 267 CB LEU A 18 4.656 4.801 -5.685 1.00 52.40 C ATOM 268 CG LEU A 18 3.427 5.631 -6.153 1.00 11.15 C ATOM 269 CD1 LEU A 18 2.115 4.890 -5.879 1.00 43.30 C ATOM 270 CD2 LEU A 18 3.424 7.029 -5.506 1.00 3.30 C ATOM 0 H LEU A 18 5.598 4.661 -7.955 1.00 23.34 H new ATOM 0 HA LEU A 18 6.053 6.446 -5.730 1.00 51.31 H new ATOM 0 HB2 LEU A 18 4.588 3.804 -6.120 1.00 52.40 H new ATOM 0 HB3 LEU A 18 4.602 4.681 -4.603 1.00 52.40 H new ATOM 0 HG LEU A 18 3.509 5.763 -7.232 1.00 11.15 H new ATOM 0 HD11 LEU A 18 1.276 5.498 -6.218 1.00 43.30 H new ATOM 0 HD12 LEU A 18 2.115 3.940 -6.414 1.00 43.30 H new ATOM 0 HD13 LEU A 18 2.019 4.704 -4.809 1.00 43.30 H new ATOM 0 HD21 LEU A 18 2.554 7.588 -5.851 1.00 3.30 H new ATOM 0 HD22 LEU A 18 3.384 6.928 -4.421 1.00 3.30 H new ATOM 0 HD23 LEU A 18 4.332 7.562 -5.787 1.00 3.30 H new ATOM 282 N ARG A 19 7.680 3.583 -5.916 1.00 2.34 N ATOM 283 CA ARG A 19 8.795 2.778 -5.374 1.00 41.25 C ATOM 284 C ARG A 19 10.074 3.627 -5.288 1.00 63.42 C ATOM 285 O ARG A 19 10.781 3.610 -4.267 1.00 51.35 O ATOM 286 CB ARG A 19 8.989 1.506 -6.270 1.00 71.34 C ATOM 287 CG ARG A 19 9.985 0.433 -5.744 1.00 42.55 C ATOM 288 CD ARG A 19 11.461 0.712 -6.084 1.00 53.14 C ATOM 289 NE ARG A 19 11.734 0.533 -7.509 1.00 13.22 N ATOM 290 CZ ARG A 19 12.949 0.563 -8.069 1.00 3.25 C ATOM 291 NH1 ARG A 19 14.036 0.759 -7.332 1.00 44.44 N ATOM 292 NH2 ARG A 19 13.075 0.335 -9.363 1.00 40.14 N ATOM 0 H ARG A 19 7.322 3.231 -6.804 1.00 2.34 H new ATOM 0 HA ARG A 19 8.564 2.450 -4.361 1.00 41.25 H new ATOM 0 HB2 ARG A 19 8.017 1.032 -6.405 1.00 71.34 H new ATOM 0 HB3 ARG A 19 9.325 1.830 -7.255 1.00 71.34 H new ATOM 0 HG2 ARG A 19 9.882 0.359 -4.661 1.00 42.55 H new ATOM 0 HG3 ARG A 19 9.707 -0.537 -6.157 1.00 42.55 H new ATOM 0 HD2 ARG A 19 11.715 1.731 -5.791 1.00 53.14 H new ATOM 0 HD3 ARG A 19 12.100 0.045 -5.505 1.00 53.14 H new ATOM 0 HE ARG A 19 10.936 0.373 -8.124 1.00 13.22 H new ATOM 0 HH11 ARG A 19 13.952 0.889 -6.324 1.00 44.44 H new ATOM 0 HH12 ARG A 19 14.955 0.779 -7.774 1.00 44.44 H new ATOM 0 HH21 ARG A 19 12.250 0.138 -9.929 1.00 40.14 H new ATOM 0 HH22 ARG A 19 13.998 0.356 -9.797 1.00 40.14 H new ATOM 306 N LYS A 20 10.340 4.380 -6.368 1.00 41.12 N ATOM 307 CA LYS A 20 11.537 5.223 -6.484 1.00 24.22 C ATOM 308 C LYS A 20 11.461 6.387 -5.473 1.00 63.12 C ATOM 309 O LYS A 20 12.484 6.819 -4.942 1.00 72.31 O ATOM 310 CB LYS A 20 11.712 5.730 -7.953 1.00 42.11 C ATOM 311 CG LYS A 20 10.918 7.011 -8.331 1.00 63.14 C ATOM 312 CD LYS A 20 10.643 7.164 -9.847 1.00 25.24 C ATOM 313 CE LYS A 20 11.889 7.141 -10.743 1.00 22.44 C ATOM 314 NZ LYS A 20 11.501 7.220 -12.182 1.00 52.24 N ATOM 0 H LYS A 20 9.730 4.420 -7.184 1.00 41.12 H new ATOM 0 HA LYS A 20 12.420 4.631 -6.243 1.00 24.22 H new ATOM 0 HB2 LYS A 20 12.771 5.919 -8.127 1.00 42.11 H new ATOM 0 HB3 LYS A 20 11.415 4.929 -8.630 1.00 42.11 H new ATOM 0 HG2 LYS A 20 9.966 7.005 -7.799 1.00 63.14 H new ATOM 0 HG3 LYS A 20 11.471 7.883 -7.984 1.00 63.14 H new ATOM 0 HD2 LYS A 20 9.974 6.363 -10.161 1.00 25.24 H new ATOM 0 HD3 LYS A 20 10.114 8.103 -10.011 1.00 25.24 H new ATOM 0 HE2 LYS A 20 12.541 7.977 -10.490 1.00 22.44 H new ATOM 0 HE3 LYS A 20 12.456 6.228 -10.563 1.00 22.44 H new ATOM 0 HZ1 LYS A 20 12.295 6.903 -12.774 1.00 52.24 H new ATOM 0 HZ2 LYS A 20 10.676 6.610 -12.353 1.00 52.24 H new ATOM 0 HZ3 LYS A 20 11.261 8.203 -12.423 1.00 52.24 H new ATOM 328 N GLU A 21 10.220 6.836 -5.189 1.00 72.24 N ATOM 329 CA GLU A 21 9.938 7.975 -4.307 1.00 35.41 C ATOM 330 C GLU A 21 10.123 7.620 -2.816 1.00 74.24 C ATOM 331 O GLU A 21 10.585 8.461 -2.033 1.00 31.51 O ATOM 332 CB GLU A 21 8.504 8.490 -4.571 1.00 1.54 C ATOM 333 CG GLU A 21 8.146 9.775 -3.807 1.00 74.44 C ATOM 334 CD GLU A 21 9.110 10.951 -4.087 1.00 2.43 C ATOM 335 OE1 GLU A 21 9.308 11.304 -5.271 1.00 22.11 O ATOM 336 OE2 GLU A 21 9.669 11.533 -3.132 1.00 21.52 O ATOM 0 H GLU A 21 9.378 6.408 -5.574 1.00 72.24 H new ATOM 0 HA GLU A 21 10.657 8.762 -4.534 1.00 35.41 H new ATOM 0 HB2 GLU A 21 8.386 8.671 -5.639 1.00 1.54 H new ATOM 0 HB3 GLU A 21 7.794 7.709 -4.299 1.00 1.54 H new ATOM 0 HG2 GLU A 21 7.133 10.076 -4.073 1.00 74.44 H new ATOM 0 HG3 GLU A 21 8.145 9.564 -2.738 1.00 74.44 H new ATOM 343 N VAL A 22 9.749 6.380 -2.431 1.00 34.10 N ATOM 344 CA VAL A 22 9.958 5.876 -1.052 1.00 30.41 C ATOM 345 C VAL A 22 11.455 5.887 -0.705 1.00 53.04 C ATOM 346 O VAL A 22 11.828 6.241 0.401 1.00 73.50 O ATOM 347 CB VAL A 22 9.385 4.423 -0.851 1.00 2.14 C ATOM 348 CG1 VAL A 22 9.699 3.858 0.560 1.00 45.35 C ATOM 349 CG2 VAL A 22 7.867 4.394 -1.104 1.00 31.13 C ATOM 0 H VAL A 22 9.301 5.708 -3.054 1.00 34.10 H new ATOM 0 HA VAL A 22 9.414 6.543 -0.384 1.00 30.41 H new ATOM 0 HB VAL A 22 9.882 3.784 -1.581 1.00 2.14 H new ATOM 0 HG11 VAL A 22 9.284 2.854 0.651 1.00 45.35 H new ATOM 0 HG12 VAL A 22 10.779 3.818 0.704 1.00 45.35 H new ATOM 0 HG13 VAL A 22 9.255 4.504 1.318 1.00 45.35 H new ATOM 0 HG21 VAL A 22 7.493 3.380 -0.959 1.00 31.13 H new ATOM 0 HG22 VAL A 22 7.369 5.067 -0.406 1.00 31.13 H new ATOM 0 HG23 VAL A 22 7.662 4.714 -2.126 1.00 31.13 H new ATOM 359 N GLN A 23 12.290 5.534 -1.697 1.00 41.42 N ATOM 360 CA GLN A 23 13.757 5.503 -1.551 1.00 61.25 C ATOM 361 C GLN A 23 14.320 6.919 -1.276 1.00 10.02 C ATOM 362 O GLN A 23 15.335 7.064 -0.581 1.00 53.13 O ATOM 363 CB GLN A 23 14.408 4.891 -2.820 1.00 43.14 C ATOM 364 CG GLN A 23 13.965 3.447 -3.131 1.00 72.13 C ATOM 365 CD GLN A 23 14.640 2.875 -4.382 1.00 10.45 C ATOM 366 OE1 GLN A 23 15.697 2.260 -4.309 1.00 42.45 O ATOM 367 NE2 GLN A 23 14.042 3.088 -5.541 1.00 3.25 N ATOM 0 H GLN A 23 11.967 5.261 -2.625 1.00 41.42 H new ATOM 0 HA GLN A 23 14.003 4.876 -0.694 1.00 61.25 H new ATOM 0 HB2 GLN A 23 14.171 5.523 -3.676 1.00 43.14 H new ATOM 0 HB3 GLN A 23 15.491 4.908 -2.702 1.00 43.14 H new ATOM 0 HG2 GLN A 23 14.194 2.810 -2.277 1.00 72.13 H new ATOM 0 HG3 GLN A 23 12.883 3.425 -3.265 1.00 72.13 H new ATOM 0 HE21 GLN A 23 13.162 3.603 -5.574 1.00 3.25 H new ATOM 0 HE22 GLN A 23 14.460 2.737 -6.403 1.00 3.25 H new ATOM 376 N LYS A 24 13.642 7.956 -1.824 1.00 52.42 N ATOM 377 CA LYS A 24 14.034 9.369 -1.620 1.00 12.24 C ATOM 378 C LYS A 24 13.714 9.801 -0.175 1.00 33.11 C ATOM 379 O LYS A 24 14.527 10.461 0.482 1.00 40.02 O ATOM 380 CB LYS A 24 13.297 10.317 -2.620 1.00 72.41 C ATOM 381 CG LYS A 24 13.320 9.874 -4.101 1.00 71.42 C ATOM 382 CD LYS A 24 14.743 9.631 -4.666 1.00 24.35 C ATOM 383 CE LYS A 24 14.711 9.207 -6.151 1.00 12.13 C ATOM 384 NZ LYS A 24 16.054 8.808 -6.650 1.00 53.10 N ATOM 0 H LYS A 24 12.818 7.838 -2.413 1.00 52.42 H new ATOM 0 HA LYS A 24 15.106 9.446 -1.801 1.00 12.24 H new ATOM 0 HB2 LYS A 24 12.258 10.412 -2.304 1.00 72.41 H new ATOM 0 HB3 LYS A 24 13.744 11.309 -2.549 1.00 72.41 H new ATOM 0 HG2 LYS A 24 12.738 8.958 -4.204 1.00 71.42 H new ATOM 0 HG3 LYS A 24 12.826 10.635 -4.705 1.00 71.42 H new ATOM 0 HD2 LYS A 24 15.335 10.540 -4.561 1.00 24.35 H new ATOM 0 HD3 LYS A 24 15.239 8.858 -4.079 1.00 24.35 H new ATOM 0 HE2 LYS A 24 14.017 8.375 -6.275 1.00 12.13 H new ATOM 0 HE3 LYS A 24 14.331 10.031 -6.754 1.00 12.13 H new ATOM 0 HZ1 LYS A 24 15.985 8.531 -7.650 1.00 53.10 H new ATOM 0 HZ2 LYS A 24 16.711 9.609 -6.557 1.00 53.10 H new ATOM 0 HZ3 LYS A 24 16.407 8.004 -6.092 1.00 53.10 H new ATOM 398 N HIS A 25 12.513 9.411 0.296 1.00 21.44 N ATOM 399 CA HIS A 25 12.011 9.774 1.633 1.00 33.40 C ATOM 400 C HIS A 25 12.819 9.047 2.729 1.00 4.22 C ATOM 401 O HIS A 25 13.406 9.681 3.608 1.00 33.44 O ATOM 402 CB HIS A 25 10.499 9.433 1.736 1.00 33.41 C ATOM 403 CG HIS A 25 9.787 9.994 2.956 1.00 0.11 C ATOM 404 ND1 HIS A 25 9.056 11.160 2.888 1.00 63.21 N ATOM 405 CD2 HIS A 25 9.698 9.506 4.219 1.00 71.04 C ATOM 406 CE1 HIS A 25 8.541 11.345 4.089 1.00 11.21 C ATOM 407 NE2 HIS A 25 8.903 10.371 4.929 1.00 3.03 N ATOM 0 H HIS A 25 11.865 8.835 -0.241 1.00 21.44 H new ATOM 0 HA HIS A 25 12.136 10.846 1.783 1.00 33.40 H new ATOM 0 HB2 HIS A 25 9.998 9.804 0.842 1.00 33.41 H new ATOM 0 HB3 HIS A 25 10.387 8.349 1.738 1.00 33.41 H new ATOM 0 HD2 HIS A 25 10.164 8.607 4.595 1.00 71.04 H new ATOM 0 HE1 HIS A 25 7.908 12.177 4.358 1.00 11.21 H new ATOM 0 HE2 HIS A 25 8.639 10.286 5.911 1.00 3.03 H new ATOM 415 N ASP A 26 12.867 7.716 2.637 1.00 12.40 N ATOM 416 CA ASP A 26 13.544 6.855 3.611 1.00 61.44 C ATOM 417 C ASP A 26 14.043 5.577 2.885 1.00 65.12 C ATOM 418 O ASP A 26 13.227 4.802 2.376 1.00 22.43 O ATOM 419 CB ASP A 26 12.576 6.511 4.778 1.00 43.45 C ATOM 420 CG ASP A 26 13.265 5.818 5.970 1.00 15.33 C ATOM 421 OD1 ASP A 26 13.689 4.651 5.842 1.00 2.32 O ATOM 422 OD2 ASP A 26 13.360 6.426 7.060 1.00 12.23 O ATOM 0 H ASP A 26 12.431 7.199 1.874 1.00 12.40 H new ATOM 0 HA ASP A 26 14.403 7.370 4.041 1.00 61.44 H new ATOM 0 HB2 ASP A 26 12.101 7.428 5.127 1.00 43.45 H new ATOM 0 HB3 ASP A 26 11.783 5.865 4.402 1.00 43.45 H new ATOM 427 N PRO A 27 15.396 5.325 2.847 1.00 73.43 N ATOM 428 CA PRO A 27 15.985 4.182 2.094 1.00 42.03 C ATOM 429 C PRO A 27 15.770 2.811 2.777 1.00 21.22 C ATOM 430 O PRO A 27 15.949 1.768 2.141 1.00 51.23 O ATOM 431 CB PRO A 27 17.490 4.554 2.051 1.00 10.42 C ATOM 432 CG PRO A 27 17.718 5.323 3.322 1.00 42.14 C ATOM 433 CD PRO A 27 16.451 6.129 3.536 1.00 21.21 C ATOM 0 HA PRO A 27 15.521 4.054 1.116 1.00 42.03 H new ATOM 0 HB2 PRO A 27 18.119 3.665 2.006 1.00 10.42 H new ATOM 0 HB3 PRO A 27 17.726 5.156 1.174 1.00 10.42 H new ATOM 0 HG2 PRO A 27 17.903 4.651 4.160 1.00 42.14 H new ATOM 0 HG3 PRO A 27 18.588 5.974 3.237 1.00 42.14 H new ATOM 0 HD2 PRO A 27 16.230 6.254 4.596 1.00 21.21 H new ATOM 0 HD3 PRO A 27 16.536 7.128 3.109 1.00 21.21 H new ATOM 441 N ASN A 28 15.384 2.831 4.067 1.00 1.31 N ATOM 442 CA ASN A 28 15.263 1.617 4.904 1.00 24.35 C ATOM 443 C ASN A 28 13.854 1.009 4.815 1.00 21.14 C ATOM 444 O ASN A 28 13.678 -0.184 5.102 1.00 2.32 O ATOM 445 CB ASN A 28 15.626 1.939 6.382 1.00 13.40 C ATOM 446 CG ASN A 28 17.084 2.387 6.589 1.00 42.11 C ATOM 447 OD1 ASN A 28 17.374 3.215 7.456 1.00 50.03 O ATOM 448 ND2 ASN A 28 18.026 1.826 5.830 1.00 44.43 N ATOM 0 H ASN A 28 15.146 3.691 4.561 1.00 1.31 H new ATOM 0 HA ASN A 28 15.967 0.878 4.522 1.00 24.35 H new ATOM 0 HB2 ASN A 28 14.961 2.723 6.745 1.00 13.40 H new ATOM 0 HB3 ASN A 28 15.439 1.055 6.991 1.00 13.40 H new ATOM 0 HD21 ASN A 28 19.005 2.080 5.962 1.00 44.43 H new ATOM 0 HD22 ASN A 28 17.767 1.143 5.118 1.00 44.43 H new ATOM 455 N VAL A 29 12.852 1.835 4.440 1.00 15.22 N ATOM 456 CA VAL A 29 11.477 1.352 4.204 1.00 75.12 C ATOM 457 C VAL A 29 11.461 0.433 2.966 1.00 64.15 C ATOM 458 O VAL A 29 11.802 0.866 1.856 1.00 44.20 O ATOM 459 CB VAL A 29 10.453 2.524 4.000 1.00 11.20 C ATOM 460 CG1 VAL A 29 9.020 1.984 3.737 1.00 64.01 C ATOM 461 CG2 VAL A 29 10.465 3.484 5.208 1.00 62.23 C ATOM 0 H VAL A 29 12.972 2.838 4.295 1.00 15.22 H new ATOM 0 HA VAL A 29 11.168 0.802 5.093 1.00 75.12 H new ATOM 0 HB VAL A 29 10.764 3.084 3.118 1.00 11.20 H new ATOM 0 HG11 VAL A 29 8.335 2.821 3.600 1.00 64.01 H new ATOM 0 HG12 VAL A 29 9.023 1.367 2.839 1.00 64.01 H new ATOM 0 HG13 VAL A 29 8.695 1.385 4.588 1.00 64.01 H new ATOM 0 HG21 VAL A 29 9.747 4.287 5.042 1.00 62.23 H new ATOM 0 HG22 VAL A 29 10.194 2.936 6.111 1.00 62.23 H new ATOM 0 HG23 VAL A 29 11.462 3.908 5.326 1.00 62.23 H new ATOM 471 N LYS A 30 11.077 -0.836 3.179 1.00 50.42 N ATOM 472 CA LYS A 30 11.080 -1.859 2.128 1.00 52.51 C ATOM 473 C LYS A 30 9.869 -1.713 1.200 1.00 33.31 C ATOM 474 O LYS A 30 8.726 -1.615 1.655 1.00 55.51 O ATOM 475 CB LYS A 30 11.135 -3.285 2.754 1.00 70.40 C ATOM 476 CG LYS A 30 12.542 -3.710 3.245 1.00 54.14 C ATOM 477 CD LYS A 30 13.597 -3.709 2.103 1.00 43.13 C ATOM 478 CE LYS A 30 13.218 -4.635 0.925 1.00 12.13 C ATOM 479 NZ LYS A 30 14.220 -4.589 -0.171 1.00 10.42 N ATOM 0 H LYS A 30 10.757 -1.179 4.085 1.00 50.42 H new ATOM 0 HA LYS A 30 11.974 -1.714 1.522 1.00 52.51 H new ATOM 0 HB2 LYS A 30 10.441 -3.328 3.594 1.00 70.40 H new ATOM 0 HB3 LYS A 30 10.787 -4.007 2.016 1.00 70.40 H new ATOM 0 HG2 LYS A 30 12.867 -3.034 4.036 1.00 54.14 H new ATOM 0 HG3 LYS A 30 12.485 -4.707 3.682 1.00 54.14 H new ATOM 0 HD2 LYS A 30 13.721 -2.692 1.732 1.00 43.13 H new ATOM 0 HD3 LYS A 30 14.560 -4.021 2.507 1.00 43.13 H new ATOM 0 HE2 LYS A 30 13.124 -5.659 1.286 1.00 12.13 H new ATOM 0 HE3 LYS A 30 12.243 -4.344 0.535 1.00 12.13 H new ATOM 0 HZ1 LYS A 30 13.924 -5.225 -0.939 1.00 10.42 H new ATOM 0 HZ2 LYS A 30 14.292 -3.617 -0.535 1.00 10.42 H new ATOM 0 HZ3 LYS A 30 15.146 -4.892 0.192 1.00 10.42 H new ATOM 493 N THR A 31 10.153 -1.684 -0.105 1.00 1.53 N ATOM 494 CA THR A 31 9.143 -1.655 -1.167 1.00 65.44 C ATOM 495 C THR A 31 9.101 -3.024 -1.858 1.00 32.43 C ATOM 496 O THR A 31 10.143 -3.559 -2.255 1.00 74.22 O ATOM 497 CB THR A 31 9.444 -0.528 -2.202 1.00 11.23 C ATOM 498 OG1 THR A 31 10.820 -0.588 -2.615 1.00 44.11 O ATOM 499 CG2 THR A 31 9.144 0.862 -1.639 1.00 60.41 C ATOM 0 H THR A 31 11.109 -1.680 -0.460 1.00 1.53 H new ATOM 0 HA THR A 31 8.171 -1.439 -0.724 1.00 65.44 H new ATOM 0 HB THR A 31 8.791 -0.694 -3.059 1.00 11.23 H new ATOM 0 HG1 THR A 31 11.131 0.312 -2.848 1.00 44.11 H new ATOM 0 HG21 THR A 31 9.368 1.616 -2.393 1.00 60.41 H new ATOM 0 HG22 THR A 31 8.091 0.924 -1.365 1.00 60.41 H new ATOM 0 HG23 THR A 31 9.759 1.038 -0.757 1.00 60.41 H new ATOM 507 N VAL A 32 7.889 -3.585 -1.980 1.00 54.53 N ATOM 508 CA VAL A 32 7.662 -4.936 -2.520 1.00 32.24 C ATOM 509 C VAL A 32 6.686 -4.842 -3.709 1.00 21.21 C ATOM 510 O VAL A 32 5.552 -4.410 -3.510 1.00 53.13 O ATOM 511 CB VAL A 32 7.062 -5.892 -1.415 1.00 62.14 C ATOM 512 CG1 VAL A 32 6.977 -7.351 -1.916 1.00 12.21 C ATOM 513 CG2 VAL A 32 7.864 -5.808 -0.096 1.00 63.31 C ATOM 0 H VAL A 32 7.030 -3.110 -1.704 1.00 54.53 H new ATOM 0 HA VAL A 32 8.616 -5.350 -2.847 1.00 32.24 H new ATOM 0 HB VAL A 32 6.048 -5.550 -1.210 1.00 62.14 H new ATOM 0 HG11 VAL A 32 6.560 -7.982 -1.131 1.00 12.21 H new ATOM 0 HG12 VAL A 32 6.336 -7.397 -2.797 1.00 12.21 H new ATOM 0 HG13 VAL A 32 7.975 -7.706 -2.174 1.00 12.21 H new ATOM 0 HG21 VAL A 32 7.423 -6.479 0.641 1.00 63.31 H new ATOM 0 HG22 VAL A 32 8.898 -6.100 -0.280 1.00 63.31 H new ATOM 0 HG23 VAL A 32 7.837 -4.786 0.282 1.00 63.31 H new ATOM 523 N PRO A 33 7.105 -5.217 -4.962 1.00 32.45 N ATOM 524 CA PRO A 33 6.210 -5.162 -6.147 1.00 30.51 C ATOM 525 C PRO A 33 5.150 -6.292 -6.167 1.00 45.24 C ATOM 526 O PRO A 33 5.142 -7.181 -5.304 1.00 75.23 O ATOM 527 CB PRO A 33 7.201 -5.276 -7.335 1.00 24.32 C ATOM 528 CG PRO A 33 8.349 -6.077 -6.794 1.00 23.41 C ATOM 529 CD PRO A 33 8.471 -5.689 -5.327 1.00 11.25 C ATOM 0 HA PRO A 33 5.608 -4.254 -6.167 1.00 30.51 H new ATOM 0 HB2 PRO A 33 6.740 -5.771 -8.190 1.00 24.32 H new ATOM 0 HB3 PRO A 33 7.528 -4.293 -7.674 1.00 24.32 H new ATOM 0 HG2 PRO A 33 8.165 -7.146 -6.902 1.00 23.41 H new ATOM 0 HG3 PRO A 33 9.269 -5.856 -7.335 1.00 23.41 H new ATOM 0 HD2 PRO A 33 8.777 -6.537 -4.714 1.00 11.25 H new ATOM 0 HD3 PRO A 33 9.215 -4.906 -5.182 1.00 11.25 H new ATOM 537 N THR A 34 4.287 -6.236 -7.199 1.00 3.04 N ATOM 538 CA THR A 34 3.155 -7.171 -7.403 1.00 2.24 C ATOM 539 C THR A 34 3.650 -8.611 -7.638 1.00 52.33 C ATOM 540 O THR A 34 3.025 -9.591 -7.209 1.00 1.34 O ATOM 541 CB THR A 34 2.306 -6.721 -8.645 1.00 4.33 C ATOM 542 OG1 THR A 34 3.108 -6.828 -9.839 1.00 60.20 O ATOM 543 CG2 THR A 34 1.809 -5.267 -8.506 1.00 53.12 C ATOM 0 H THR A 34 4.355 -5.528 -7.930 1.00 3.04 H new ATOM 0 HA THR A 34 2.545 -7.152 -6.500 1.00 2.24 H new ATOM 0 HB THR A 34 1.436 -7.375 -8.705 1.00 4.33 H new ATOM 0 HG1 THR A 34 2.894 -6.088 -10.444 1.00 60.20 H new ATOM 0 HG21 THR A 34 1.226 -4.996 -9.386 1.00 53.12 H new ATOM 0 HG22 THR A 34 1.185 -5.179 -7.617 1.00 53.12 H new ATOM 0 HG23 THR A 34 2.664 -4.597 -8.417 1.00 53.12 H new ATOM 551 N LYS A 35 4.799 -8.690 -8.326 1.00 61.55 N ATOM 552 CA LYS A 35 5.448 -9.943 -8.732 1.00 11.20 C ATOM 553 C LYS A 35 6.000 -10.709 -7.510 1.00 63.00 C ATOM 554 O LYS A 35 6.133 -11.939 -7.543 1.00 31.11 O ATOM 555 CB LYS A 35 6.594 -9.605 -9.716 1.00 73.55 C ATOM 556 CG LYS A 35 6.171 -8.709 -10.910 1.00 55.02 C ATOM 557 CD LYS A 35 7.380 -8.173 -11.713 1.00 35.41 C ATOM 558 CE LYS A 35 8.320 -7.295 -10.863 1.00 52.31 C ATOM 559 NZ LYS A 35 9.495 -6.823 -11.640 1.00 41.51 N ATOM 0 H LYS A 35 5.315 -7.862 -8.623 1.00 61.55 H new ATOM 0 HA LYS A 35 4.714 -10.587 -9.216 1.00 11.20 H new ATOM 0 HB2 LYS A 35 7.392 -9.105 -9.167 1.00 73.55 H new ATOM 0 HB3 LYS A 35 7.009 -10.535 -10.105 1.00 73.55 H new ATOM 0 HG2 LYS A 35 5.523 -9.280 -11.575 1.00 55.02 H new ATOM 0 HG3 LYS A 35 5.586 -7.868 -10.538 1.00 55.02 H new ATOM 0 HD2 LYS A 35 7.943 -9.014 -12.118 1.00 35.41 H new ATOM 0 HD3 LYS A 35 7.018 -7.593 -12.562 1.00 35.41 H new ATOM 0 HE2 LYS A 35 7.768 -6.436 -10.483 1.00 52.31 H new ATOM 0 HE3 LYS A 35 8.662 -7.862 -9.997 1.00 52.31 H new ATOM 0 HZ1 LYS A 35 10.101 -6.236 -11.031 1.00 41.51 H new ATOM 0 HZ2 LYS A 35 10.037 -7.642 -11.982 1.00 41.51 H new ATOM 0 HZ3 LYS A 35 9.171 -6.259 -12.452 1.00 41.51 H new ATOM 573 N ASP A 36 6.290 -9.952 -6.436 1.00 1.40 N ATOM 574 CA ASP A 36 6.845 -10.473 -5.172 1.00 61.11 C ATOM 575 C ASP A 36 5.737 -10.630 -4.111 1.00 31.31 C ATOM 576 O ASP A 36 5.980 -10.426 -2.916 1.00 15.13 O ATOM 577 CB ASP A 36 7.972 -9.525 -4.665 1.00 23.22 C ATOM 578 CG ASP A 36 9.274 -9.634 -5.470 1.00 52.41 C ATOM 579 OD1 ASP A 36 9.251 -9.370 -6.689 1.00 60.11 O ATOM 580 OD2 ASP A 36 10.329 -9.978 -4.886 1.00 53.20 O ATOM 0 H ASP A 36 6.143 -8.943 -6.421 1.00 1.40 H new ATOM 0 HA ASP A 36 7.271 -11.460 -5.352 1.00 61.11 H new ATOM 0 HB2 ASP A 36 7.615 -8.496 -4.705 1.00 23.22 H new ATOM 0 HB3 ASP A 36 8.181 -9.750 -3.619 1.00 23.22 H new ATOM 585 N LYS A 37 4.542 -11.057 -4.565 1.00 71.14 N ATOM 586 CA LYS A 37 3.353 -11.255 -3.706 1.00 52.51 C ATOM 587 C LYS A 37 3.628 -12.263 -2.560 1.00 54.31 C ATOM 588 O LYS A 37 3.156 -12.079 -1.430 1.00 4.33 O ATOM 589 CB LYS A 37 2.140 -11.687 -4.596 1.00 2.32 C ATOM 590 CG LYS A 37 0.810 -12.070 -3.855 1.00 21.10 C ATOM 591 CD LYS A 37 0.718 -13.578 -3.465 1.00 71.14 C ATOM 592 CE LYS A 37 0.877 -14.520 -4.672 1.00 12.33 C ATOM 593 NZ LYS A 37 0.912 -15.948 -4.275 1.00 65.31 N ATOM 0 H LYS A 37 4.371 -11.277 -5.546 1.00 71.14 H new ATOM 0 HA LYS A 37 3.108 -10.312 -3.218 1.00 52.51 H new ATOM 0 HB2 LYS A 37 1.920 -10.873 -5.286 1.00 2.32 H new ATOM 0 HB3 LYS A 37 2.450 -12.541 -5.198 1.00 2.32 H new ATOM 0 HG2 LYS A 37 0.721 -11.465 -2.953 1.00 21.10 H new ATOM 0 HG3 LYS A 37 -0.036 -11.817 -4.494 1.00 21.10 H new ATOM 0 HD2 LYS A 37 1.489 -13.805 -2.729 1.00 71.14 H new ATOM 0 HD3 LYS A 37 -0.244 -13.767 -2.988 1.00 71.14 H new ATOM 0 HE2 LYS A 37 0.052 -14.359 -5.366 1.00 12.33 H new ATOM 0 HE3 LYS A 37 1.795 -14.271 -5.205 1.00 12.33 H new ATOM 0 HZ1 LYS A 37 1.253 -16.522 -5.072 1.00 65.31 H new ATOM 0 HZ2 LYS A 37 1.552 -16.067 -3.464 1.00 65.31 H new ATOM 0 HZ3 LYS A 37 -0.045 -16.258 -4.010 1.00 65.31 H new ATOM 607 N GLU A 38 4.389 -13.329 -2.865 1.00 63.51 N ATOM 608 CA GLU A 38 4.770 -14.363 -1.875 1.00 13.30 C ATOM 609 C GLU A 38 5.752 -13.781 -0.840 1.00 31.25 C ATOM 610 O GLU A 38 5.699 -14.114 0.354 1.00 43.41 O ATOM 611 CB GLU A 38 5.403 -15.570 -2.610 1.00 1.43 C ATOM 612 CG GLU A 38 4.472 -16.212 -3.655 1.00 52.03 C ATOM 613 CD GLU A 38 5.176 -17.284 -4.500 1.00 23.14 C ATOM 614 OE1 GLU A 38 5.776 -16.936 -5.537 1.00 45.14 O ATOM 615 OE2 GLU A 38 5.146 -18.474 -4.125 1.00 10.32 O ATOM 0 H GLU A 38 4.758 -13.502 -3.800 1.00 63.51 H new ATOM 0 HA GLU A 38 3.879 -14.697 -1.343 1.00 13.30 H new ATOM 0 HB2 GLU A 38 6.319 -15.245 -3.103 1.00 1.43 H new ATOM 0 HB3 GLU A 38 5.686 -16.324 -1.876 1.00 1.43 H new ATOM 0 HG2 GLU A 38 3.617 -16.659 -3.148 1.00 52.03 H new ATOM 0 HG3 GLU A 38 4.082 -15.436 -4.313 1.00 52.03 H new ATOM 622 N LYS A 39 6.617 -12.866 -1.319 1.00 24.42 N ATOM 623 CA LYS A 39 7.652 -12.215 -0.499 1.00 70.22 C ATOM 624 C LYS A 39 7.034 -11.103 0.385 1.00 42.05 C ATOM 625 O LYS A 39 7.663 -10.685 1.353 1.00 44.43 O ATOM 626 CB LYS A 39 8.797 -11.613 -1.379 1.00 45.33 C ATOM 627 CG LYS A 39 9.629 -12.625 -2.224 1.00 54.30 C ATOM 628 CD LYS A 39 8.887 -13.146 -3.479 1.00 70.24 C ATOM 629 CE LYS A 39 9.774 -13.967 -4.442 1.00 30.00 C ATOM 630 NZ LYS A 39 10.233 -15.254 -3.845 1.00 72.52 N ATOM 0 H LYS A 39 6.616 -12.557 -2.291 1.00 24.42 H new ATOM 0 HA LYS A 39 8.083 -12.985 0.141 1.00 70.22 H new ATOM 0 HB2 LYS A 39 8.357 -10.882 -2.058 1.00 45.33 H new ATOM 0 HB3 LYS A 39 9.481 -11.071 -0.726 1.00 45.33 H new ATOM 0 HG2 LYS A 39 10.559 -12.148 -2.534 1.00 54.30 H new ATOM 0 HG3 LYS A 39 9.901 -13.473 -1.595 1.00 54.30 H new ATOM 0 HD2 LYS A 39 8.047 -13.763 -3.161 1.00 70.24 H new ATOM 0 HD3 LYS A 39 8.471 -12.296 -4.021 1.00 70.24 H new ATOM 0 HE2 LYS A 39 9.217 -14.173 -5.356 1.00 30.00 H new ATOM 0 HE3 LYS A 39 10.642 -13.372 -4.726 1.00 30.00 H new ATOM 0 HZ1 LYS A 39 10.824 -15.764 -4.532 1.00 72.52 H new ATOM 0 HZ2 LYS A 39 10.789 -15.060 -2.987 1.00 72.52 H new ATOM 0 HZ3 LYS A 39 9.407 -15.836 -3.598 1.00 72.52 H new ATOM 644 N VAL A 40 5.812 -10.625 0.026 1.00 22.34 N ATOM 645 CA VAL A 40 5.076 -9.585 0.792 1.00 2.44 C ATOM 646 C VAL A 40 4.901 -9.996 2.266 1.00 73.53 C ATOM 647 O VAL A 40 5.284 -9.245 3.163 1.00 13.21 O ATOM 648 CB VAL A 40 3.653 -9.278 0.168 1.00 43.13 C ATOM 649 CG1 VAL A 40 2.808 -8.355 1.078 1.00 65.20 C ATOM 650 CG2 VAL A 40 3.770 -8.661 -1.244 1.00 35.45 C ATOM 0 H VAL A 40 5.311 -10.950 -0.801 1.00 22.34 H new ATOM 0 HA VAL A 40 5.681 -8.680 0.736 1.00 2.44 H new ATOM 0 HB VAL A 40 3.141 -10.237 0.086 1.00 43.13 H new ATOM 0 HG11 VAL A 40 1.840 -8.171 0.611 1.00 65.20 H new ATOM 0 HG12 VAL A 40 2.659 -8.835 2.045 1.00 65.20 H new ATOM 0 HG13 VAL A 40 3.329 -7.408 1.220 1.00 65.20 H new ATOM 0 HG21 VAL A 40 2.773 -8.464 -1.639 1.00 35.45 H new ATOM 0 HG22 VAL A 40 4.329 -7.727 -1.188 1.00 35.45 H new ATOM 0 HG23 VAL A 40 4.291 -9.356 -1.903 1.00 35.45 H new ATOM 660 N LYS A 41 4.334 -11.202 2.481 1.00 22.52 N ATOM 661 CA LYS A 41 4.056 -11.754 3.815 1.00 22.10 C ATOM 662 C LYS A 41 5.342 -11.827 4.668 1.00 24.54 C ATOM 663 O LYS A 41 5.328 -11.511 5.867 1.00 62.32 O ATOM 664 CB LYS A 41 3.426 -13.165 3.669 1.00 72.51 C ATOM 665 CG LYS A 41 3.028 -13.815 5.009 1.00 14.23 C ATOM 666 CD LYS A 41 2.625 -15.303 4.892 1.00 61.51 C ATOM 667 CE LYS A 41 2.208 -15.900 6.253 1.00 64.41 C ATOM 668 NZ LYS A 41 3.238 -15.694 7.317 1.00 42.33 N ATOM 0 H LYS A 41 4.055 -11.823 1.722 1.00 22.52 H new ATOM 0 HA LYS A 41 3.356 -11.093 4.326 1.00 22.10 H new ATOM 0 HB2 LYS A 41 2.542 -13.093 3.035 1.00 72.51 H new ATOM 0 HB3 LYS A 41 4.134 -13.817 3.157 1.00 72.51 H new ATOM 0 HG2 LYS A 41 3.863 -13.729 5.705 1.00 14.23 H new ATOM 0 HG3 LYS A 41 2.196 -13.257 5.439 1.00 14.23 H new ATOM 0 HD2 LYS A 41 1.800 -15.400 4.186 1.00 61.51 H new ATOM 0 HD3 LYS A 41 3.461 -15.874 4.487 1.00 61.51 H new ATOM 0 HE2 LYS A 41 1.269 -15.447 6.571 1.00 64.41 H new ATOM 0 HE3 LYS A 41 2.023 -16.968 6.135 1.00 64.41 H new ATOM 0 HZ1 LYS A 41 3.127 -16.420 8.053 1.00 42.33 H new ATOM 0 HZ2 LYS A 41 4.188 -15.767 6.900 1.00 42.33 H new ATOM 0 HZ3 LYS A 41 3.117 -14.751 7.739 1.00 42.33 H new ATOM 682 N GLU A 42 6.444 -12.232 4.005 1.00 33.11 N ATOM 683 CA GLU A 42 7.783 -12.292 4.607 1.00 54.31 C ATOM 684 C GLU A 42 8.215 -10.898 5.109 1.00 15.31 C ATOM 685 O GLU A 42 8.587 -10.734 6.271 1.00 62.32 O ATOM 686 CB GLU A 42 8.807 -12.809 3.561 1.00 22.34 C ATOM 687 CG GLU A 42 8.477 -14.174 2.913 1.00 13.01 C ATOM 688 CD GLU A 42 8.563 -15.357 3.895 1.00 11.35 C ATOM 689 OE1 GLU A 42 9.673 -15.878 4.118 1.00 5.44 O ATOM 690 OE2 GLU A 42 7.527 -15.760 4.459 1.00 1.31 O ATOM 0 H GLU A 42 6.425 -12.528 3.029 1.00 33.11 H new ATOM 0 HA GLU A 42 7.751 -12.976 5.455 1.00 54.31 H new ATOM 0 HB2 GLU A 42 8.897 -12.065 2.770 1.00 22.34 H new ATOM 0 HB3 GLU A 42 9.783 -12.883 4.041 1.00 22.34 H new ATOM 0 HG2 GLU A 42 7.472 -14.134 2.492 1.00 13.01 H new ATOM 0 HG3 GLU A 42 9.163 -14.349 2.084 1.00 13.01 H new ATOM 697 N GLU A 43 8.098 -9.902 4.209 1.00 30.20 N ATOM 698 CA GLU A 43 8.535 -8.516 4.446 1.00 62.20 C ATOM 699 C GLU A 43 7.635 -7.772 5.461 1.00 35.23 C ATOM 700 O GLU A 43 8.091 -6.826 6.093 1.00 5.12 O ATOM 701 CB GLU A 43 8.576 -7.741 3.102 1.00 22.44 C ATOM 702 CG GLU A 43 9.595 -8.254 2.070 1.00 54.00 C ATOM 703 CD GLU A 43 11.038 -8.151 2.564 1.00 62.24 C ATOM 704 OE1 GLU A 43 11.600 -7.038 2.568 1.00 22.25 O ATOM 705 OE2 GLU A 43 11.626 -9.177 2.950 1.00 22.02 O ATOM 0 H GLU A 43 7.691 -10.042 3.284 1.00 30.20 H new ATOM 0 HA GLU A 43 9.534 -8.562 4.881 1.00 62.20 H new ATOM 0 HB2 GLU A 43 7.583 -7.775 2.653 1.00 22.44 H new ATOM 0 HB3 GLU A 43 8.795 -6.694 3.313 1.00 22.44 H new ATOM 0 HG2 GLU A 43 9.371 -9.293 1.830 1.00 54.00 H new ATOM 0 HG3 GLU A 43 9.490 -7.684 1.147 1.00 54.00 H new ATOM 712 N ILE A 44 6.359 -8.190 5.584 1.00 22.13 N ATOM 713 CA ILE A 44 5.401 -7.599 6.545 1.00 13.14 C ATOM 714 C ILE A 44 5.771 -8.026 7.962 1.00 24.01 C ATOM 715 O ILE A 44 5.872 -7.189 8.858 1.00 41.13 O ATOM 716 CB ILE A 44 3.909 -8.018 6.235 1.00 64.24 C ATOM 717 CG1 ILE A 44 3.387 -7.303 4.955 1.00 3.44 C ATOM 718 CG2 ILE A 44 2.957 -7.763 7.441 1.00 4.51 C ATOM 719 CD1 ILE A 44 1.946 -7.618 4.607 1.00 52.44 C ATOM 0 H ILE A 44 5.963 -8.944 5.023 1.00 22.13 H new ATOM 0 HA ILE A 44 5.463 -6.515 6.449 1.00 13.14 H new ATOM 0 HB ILE A 44 3.912 -9.093 6.056 1.00 64.24 H new ATOM 0 HG12 ILE A 44 3.489 -6.226 5.088 1.00 3.44 H new ATOM 0 HG13 ILE A 44 4.021 -7.582 4.113 1.00 3.44 H new ATOM 0 HG21 ILE A 44 1.945 -8.068 7.176 1.00 4.51 H new ATOM 0 HG22 ILE A 44 3.296 -8.340 8.301 1.00 4.51 H new ATOM 0 HG23 ILE A 44 2.963 -6.702 7.691 1.00 4.51 H new ATOM 0 HD11 ILE A 44 1.664 -7.079 3.703 1.00 52.44 H new ATOM 0 HD12 ILE A 44 1.838 -8.690 4.439 1.00 52.44 H new ATOM 0 HD13 ILE A 44 1.298 -7.312 5.429 1.00 52.44 H new ATOM 731 N GLU A 45 5.968 -9.342 8.141 1.00 72.30 N ATOM 732 CA GLU A 45 6.338 -9.933 9.431 1.00 52.24 C ATOM 733 C GLU A 45 7.760 -9.472 9.838 1.00 54.50 C ATOM 734 O GLU A 45 8.066 -9.309 11.025 1.00 31.32 O ATOM 735 CB GLU A 45 6.234 -11.476 9.337 1.00 13.33 C ATOM 736 CG GLU A 45 6.285 -12.194 10.697 1.00 71.34 C ATOM 737 CD GLU A 45 6.138 -13.720 10.582 1.00 31.23 C ATOM 738 OE1 GLU A 45 5.014 -14.191 10.311 1.00 24.30 O ATOM 739 OE2 GLU A 45 7.142 -14.449 10.744 1.00 43.44 O ATOM 0 H GLU A 45 5.874 -10.026 7.390 1.00 72.30 H new ATOM 0 HA GLU A 45 5.652 -9.595 10.208 1.00 52.24 H new ATOM 0 HB2 GLU A 45 5.302 -11.737 8.836 1.00 13.33 H new ATOM 0 HB3 GLU A 45 7.047 -11.847 8.712 1.00 13.33 H new ATOM 0 HG2 GLU A 45 7.230 -11.962 11.188 1.00 71.34 H new ATOM 0 HG3 GLU A 45 5.491 -11.806 11.335 1.00 71.34 H new ATOM 746 N LYS A 46 8.599 -9.222 8.815 1.00 73.45 N ATOM 747 CA LYS A 46 9.947 -8.656 8.962 1.00 30.44 C ATOM 748 C LYS A 46 9.883 -7.184 9.409 1.00 73.13 C ATOM 749 O LYS A 46 10.592 -6.791 10.337 1.00 75.25 O ATOM 750 CB LYS A 46 10.697 -8.816 7.609 1.00 22.22 C ATOM 751 CG LYS A 46 11.888 -7.876 7.366 1.00 2.33 C ATOM 752 CD LYS A 46 12.567 -8.156 6.004 1.00 64.10 C ATOM 753 CE LYS A 46 13.613 -7.107 5.603 1.00 12.13 C ATOM 754 NZ LYS A 46 14.108 -7.332 4.215 1.00 44.20 N ATOM 0 H LYS A 46 8.350 -9.413 7.844 1.00 73.45 H new ATOM 0 HA LYS A 46 10.492 -9.191 9.739 1.00 30.44 H new ATOM 0 HB2 LYS A 46 11.054 -9.843 7.537 1.00 22.22 H new ATOM 0 HB3 LYS A 46 9.979 -8.671 6.802 1.00 22.22 H new ATOM 0 HG2 LYS A 46 11.547 -6.841 7.397 1.00 2.33 H new ATOM 0 HG3 LYS A 46 12.617 -7.996 8.168 1.00 2.33 H new ATOM 0 HD2 LYS A 46 13.045 -9.135 6.042 1.00 64.10 H new ATOM 0 HD3 LYS A 46 11.801 -8.205 5.230 1.00 64.10 H new ATOM 0 HE2 LYS A 46 13.178 -6.110 5.678 1.00 12.13 H new ATOM 0 HE3 LYS A 46 14.451 -7.142 6.299 1.00 12.13 H new ATOM 0 HZ1 LYS A 46 14.826 -6.616 3.982 1.00 44.20 H new ATOM 0 HZ2 LYS A 46 14.530 -8.280 4.146 1.00 44.20 H new ATOM 0 HZ3 LYS A 46 13.314 -7.257 3.547 1.00 44.20 H new ATOM 768 N ALA A 47 9.019 -6.390 8.751 1.00 70.12 N ATOM 769 CA ALA A 47 8.827 -4.960 9.072 1.00 42.11 C ATOM 770 C ALA A 47 8.233 -4.802 10.479 1.00 40.33 C ATOM 771 O ALA A 47 8.602 -3.895 11.214 1.00 20.34 O ATOM 772 CB ALA A 47 7.930 -4.286 8.024 1.00 42.23 C ATOM 0 H ALA A 47 8.434 -6.719 7.983 1.00 70.12 H new ATOM 0 HA ALA A 47 9.799 -4.468 9.053 1.00 42.11 H new ATOM 0 HB1 ALA A 47 7.801 -3.234 8.278 1.00 42.23 H new ATOM 0 HB2 ALA A 47 8.394 -4.368 7.041 1.00 42.23 H new ATOM 0 HB3 ALA A 47 6.957 -4.777 8.008 1.00 42.23 H new ATOM 778 N ARG A 48 7.330 -5.734 10.832 1.00 34.42 N ATOM 779 CA ARG A 48 6.738 -5.849 12.171 1.00 74.02 C ATOM 780 C ARG A 48 7.844 -6.047 13.222 1.00 60.22 C ATOM 781 O ARG A 48 7.875 -5.345 14.240 1.00 63.32 O ATOM 782 CB ARG A 48 5.729 -7.036 12.192 1.00 71.10 C ATOM 783 CG ARG A 48 5.167 -7.409 13.586 1.00 60.45 C ATOM 784 CD ARG A 48 4.199 -8.606 13.531 1.00 65.20 C ATOM 785 NE ARG A 48 3.768 -9.062 14.871 1.00 42.50 N ATOM 786 CZ ARG A 48 2.977 -10.133 15.105 1.00 4.53 C ATOM 787 NH1 ARG A 48 2.508 -10.872 14.104 1.00 25.22 N ATOM 788 NH2 ARG A 48 2.671 -10.473 16.345 1.00 53.33 N ATOM 0 H ARG A 48 6.987 -6.440 10.181 1.00 34.42 H new ATOM 0 HA ARG A 48 6.202 -4.931 12.414 1.00 74.02 H new ATOM 0 HB2 ARG A 48 4.893 -6.791 11.536 1.00 71.10 H new ATOM 0 HB3 ARG A 48 6.219 -7.914 11.770 1.00 71.10 H new ATOM 0 HG2 ARG A 48 5.994 -7.645 14.256 1.00 60.45 H new ATOM 0 HG3 ARG A 48 4.650 -6.547 14.008 1.00 60.45 H new ATOM 0 HD2 ARG A 48 3.321 -8.330 12.947 1.00 65.20 H new ATOM 0 HD3 ARG A 48 4.681 -9.433 13.009 1.00 65.20 H new ATOM 0 HE ARG A 48 4.092 -8.529 15.678 1.00 42.50 H new ATOM 0 HH11 ARG A 48 2.744 -10.634 13.141 1.00 25.22 H new ATOM 0 HH12 ARG A 48 1.912 -11.677 14.300 1.00 25.22 H new ATOM 0 HH21 ARG A 48 3.032 -9.927 17.127 1.00 53.33 H new ATOM 0 HH22 ARG A 48 2.074 -11.281 16.520 1.00 53.33 H new ATOM 802 N LYS A 49 8.775 -6.976 12.912 1.00 22.31 N ATOM 803 CA LYS A 49 9.873 -7.371 13.812 1.00 42.21 C ATOM 804 C LYS A 49 10.858 -6.192 14.004 1.00 32.12 C ATOM 805 O LYS A 49 11.332 -5.938 15.120 1.00 12.31 O ATOM 806 CB LYS A 49 10.590 -8.654 13.247 1.00 22.34 C ATOM 807 CG LYS A 49 11.189 -9.602 14.319 1.00 71.04 C ATOM 808 CD LYS A 49 12.453 -9.043 15.030 1.00 20.12 C ATOM 809 CE LYS A 49 12.844 -9.852 16.281 1.00 24.33 C ATOM 810 NZ LYS A 49 13.111 -11.281 15.971 1.00 64.22 N ATOM 0 H LYS A 49 8.783 -7.475 12.022 1.00 22.31 H new ATOM 0 HA LYS A 49 9.471 -7.620 14.794 1.00 42.21 H new ATOM 0 HB2 LYS A 49 9.874 -9.216 12.647 1.00 22.34 H new ATOM 0 HB3 LYS A 49 11.389 -8.338 12.577 1.00 22.34 H new ATOM 0 HG2 LYS A 49 10.427 -9.811 15.069 1.00 71.04 H new ATOM 0 HG3 LYS A 49 11.441 -10.552 13.848 1.00 71.04 H new ATOM 0 HD2 LYS A 49 13.288 -9.042 14.329 1.00 20.12 H new ATOM 0 HD3 LYS A 49 12.275 -8.006 15.315 1.00 20.12 H new ATOM 0 HE2 LYS A 49 13.731 -9.409 16.734 1.00 24.33 H new ATOM 0 HE3 LYS A 49 12.043 -9.786 17.018 1.00 24.33 H new ATOM 0 HZ1 LYS A 49 13.419 -11.772 16.835 1.00 64.22 H new ATOM 0 HZ2 LYS A 49 12.243 -11.726 15.611 1.00 64.22 H new ATOM 0 HZ3 LYS A 49 13.858 -11.346 15.251 1.00 64.22 H new ATOM 824 N GLN A 50 11.130 -5.468 12.905 1.00 73.41 N ATOM 825 CA GLN A 50 12.090 -4.343 12.889 1.00 62.42 C ATOM 826 C GLN A 50 11.455 -3.032 13.407 1.00 51.03 C ATOM 827 O GLN A 50 12.182 -2.099 13.762 1.00 73.31 O ATOM 828 CB GLN A 50 12.651 -4.141 11.450 1.00 14.22 C ATOM 829 CG GLN A 50 13.423 -5.352 10.872 1.00 31.31 C ATOM 830 CD GLN A 50 14.645 -5.758 11.706 1.00 71.22 C ATOM 831 OE1 GLN A 50 15.749 -5.254 11.501 1.00 24.43 O ATOM 832 NE2 GLN A 50 14.462 -6.685 12.636 1.00 54.44 N ATOM 0 H GLN A 50 10.692 -5.644 12.001 1.00 73.41 H new ATOM 0 HA GLN A 50 12.907 -4.597 13.564 1.00 62.42 H new ATOM 0 HB2 GLN A 50 11.822 -3.906 10.783 1.00 14.22 H new ATOM 0 HB3 GLN A 50 13.313 -3.275 11.453 1.00 14.22 H new ATOM 0 HG2 GLN A 50 12.745 -6.202 10.799 1.00 31.31 H new ATOM 0 HG3 GLN A 50 13.748 -5.115 9.859 1.00 31.31 H new ATOM 0 HE21 GLN A 50 13.535 -7.084 12.783 1.00 54.44 H new ATOM 0 HE22 GLN A 50 15.248 -6.999 13.205 1.00 54.44 H new ATOM 841 N GLY A 51 10.106 -2.981 13.462 1.00 20.44 N ATOM 842 CA GLY A 51 9.380 -1.765 13.852 1.00 54.54 C ATOM 843 C GLY A 51 9.450 -0.682 12.775 1.00 1.33 C ATOM 844 O GLY A 51 9.777 0.475 13.054 1.00 50.05 O ATOM 0 H GLY A 51 9.502 -3.772 13.240 1.00 20.44 H new ATOM 0 HA2 GLY A 51 8.337 -2.013 14.048 1.00 54.54 H new ATOM 0 HA3 GLY A 51 9.796 -1.378 14.782 1.00 54.54 H new ATOM 848 N ARG A 52 9.144 -1.086 11.536 1.00 40.44 N ATOM 849 CA ARG A 52 9.245 -0.252 10.328 1.00 75.23 C ATOM 850 C ARG A 52 7.962 -0.362 9.482 1.00 12.11 C ATOM 851 O ARG A 52 7.209 -1.337 9.616 1.00 40.14 O ATOM 852 CB ARG A 52 10.492 -0.682 9.476 1.00 31.44 C ATOM 853 CG ARG A 52 11.819 -0.005 9.889 1.00 31.10 C ATOM 854 CD ARG A 52 11.736 1.531 9.760 1.00 72.43 C ATOM 855 NE ARG A 52 13.032 2.206 9.941 1.00 74.04 N ATOM 856 CZ ARG A 52 13.400 3.325 9.294 1.00 42.24 C ATOM 857 NH1 ARG A 52 12.578 3.905 8.427 1.00 22.30 N ATOM 858 NH2 ARG A 52 14.593 3.848 9.507 1.00 75.23 N ATOM 0 H ARG A 52 8.809 -2.029 11.339 1.00 40.44 H new ATOM 0 HA ARG A 52 9.367 0.786 10.636 1.00 75.23 H new ATOM 0 HB2 ARG A 52 10.612 -1.763 9.552 1.00 31.44 H new ATOM 0 HB3 ARG A 52 10.295 -0.456 8.428 1.00 31.44 H new ATOM 0 HG2 ARG A 52 12.060 -0.272 10.918 1.00 31.10 H new ATOM 0 HG3 ARG A 52 12.630 -0.380 9.264 1.00 31.10 H new ATOM 0 HD2 ARG A 52 11.337 1.784 8.778 1.00 72.43 H new ATOM 0 HD3 ARG A 52 11.030 1.912 10.498 1.00 72.43 H new ATOM 0 HE ARG A 52 13.694 1.797 10.601 1.00 74.04 H new ATOM 0 HH11 ARG A 52 11.659 3.501 8.247 1.00 22.30 H new ATOM 0 HH12 ARG A 52 12.866 4.754 7.941 1.00 22.30 H new ATOM 0 HH21 ARG A 52 15.235 3.403 10.162 1.00 75.23 H new ATOM 0 HH22 ARG A 52 14.873 4.697 9.016 1.00 75.23 H new ATOM 872 N PRO A 53 7.675 0.661 8.613 1.00 31.23 N ATOM 873 CA PRO A 53 6.670 0.520 7.551 1.00 14.24 C ATOM 874 C PRO A 53 7.204 -0.288 6.345 1.00 62.31 C ATOM 875 O PRO A 53 8.419 -0.391 6.125 1.00 64.42 O ATOM 876 CB PRO A 53 6.349 1.985 7.164 1.00 30.52 C ATOM 877 CG PRO A 53 7.629 2.716 7.422 1.00 71.00 C ATOM 878 CD PRO A 53 8.249 2.041 8.636 1.00 24.41 C ATOM 0 HA PRO A 53 5.791 -0.035 7.879 1.00 14.24 H new ATOM 0 HB2 PRO A 53 6.047 2.065 6.120 1.00 30.52 H new ATOM 0 HB3 PRO A 53 5.532 2.386 7.764 1.00 30.52 H new ATOM 0 HG2 PRO A 53 8.294 2.659 6.560 1.00 71.00 H new ATOM 0 HG3 PRO A 53 7.445 3.773 7.613 1.00 71.00 H new ATOM 0 HD2 PRO A 53 9.337 2.022 8.570 1.00 24.41 H new ATOM 0 HD3 PRO A 53 7.994 2.564 9.558 1.00 24.41 H new ATOM 886 N ILE A 54 6.271 -0.851 5.586 1.00 70.03 N ATOM 887 CA ILE A 54 6.536 -1.580 4.341 1.00 0.41 C ATOM 888 C ILE A 54 5.522 -1.103 3.294 1.00 71.24 C ATOM 889 O ILE A 54 4.311 -1.133 3.538 1.00 0.21 O ATOM 890 CB ILE A 54 6.431 -3.147 4.532 1.00 20.10 C ATOM 891 CG1 ILE A 54 6.461 -3.892 3.147 1.00 3.31 C ATOM 892 CG2 ILE A 54 5.192 -3.536 5.373 1.00 64.14 C ATOM 893 CD1 ILE A 54 6.067 -5.351 3.190 1.00 62.45 C ATOM 0 H ILE A 54 5.279 -0.815 5.822 1.00 70.03 H new ATOM 0 HA ILE A 54 7.557 -1.375 4.019 1.00 0.41 H new ATOM 0 HB ILE A 54 7.307 -3.472 5.093 1.00 20.10 H new ATOM 0 HG12 ILE A 54 5.794 -3.373 2.459 1.00 3.31 H new ATOM 0 HG13 ILE A 54 7.467 -3.816 2.734 1.00 3.31 H new ATOM 0 HG21 ILE A 54 5.153 -4.620 5.483 1.00 64.14 H new ATOM 0 HG22 ILE A 54 5.261 -3.073 6.358 1.00 64.14 H new ATOM 0 HG23 ILE A 54 4.288 -3.189 4.871 1.00 64.14 H new ATOM 0 HD11 ILE A 54 6.120 -5.772 2.186 1.00 62.45 H new ATOM 0 HD12 ILE A 54 6.748 -5.892 3.847 1.00 62.45 H new ATOM 0 HD13 ILE A 54 5.049 -5.442 3.568 1.00 62.45 H new ATOM 905 N VAL A 55 6.014 -0.643 2.141 1.00 73.42 N ATOM 906 CA VAL A 55 5.157 -0.242 1.027 1.00 43.43 C ATOM 907 C VAL A 55 5.041 -1.404 0.030 1.00 52.53 C ATOM 908 O VAL A 55 5.984 -1.716 -0.696 1.00 70.13 O ATOM 909 CB VAL A 55 5.700 1.037 0.307 1.00 61.12 C ATOM 910 CG1 VAL A 55 4.774 1.446 -0.862 1.00 32.11 C ATOM 911 CG2 VAL A 55 5.880 2.203 1.312 1.00 2.34 C ATOM 0 H VAL A 55 7.012 -0.539 1.956 1.00 73.42 H new ATOM 0 HA VAL A 55 4.173 0.003 1.425 1.00 43.43 H new ATOM 0 HB VAL A 55 6.679 0.801 -0.109 1.00 61.12 H new ATOM 0 HG11 VAL A 55 5.172 2.337 -1.347 1.00 32.11 H new ATOM 0 HG12 VAL A 55 4.721 0.633 -1.586 1.00 32.11 H new ATOM 0 HG13 VAL A 55 3.776 1.657 -0.479 1.00 32.11 H new ATOM 0 HG21 VAL A 55 6.258 3.080 0.787 1.00 2.34 H new ATOM 0 HG22 VAL A 55 4.920 2.440 1.770 1.00 2.34 H new ATOM 0 HG23 VAL A 55 6.589 1.910 2.086 1.00 2.34 H new ATOM 921 N VAL A 56 3.877 -2.042 0.031 1.00 30.55 N ATOM 922 CA VAL A 56 3.513 -3.098 -0.913 1.00 34.23 C ATOM 923 C VAL A 56 2.795 -2.483 -2.115 1.00 32.00 C ATOM 924 O VAL A 56 2.023 -1.536 -1.968 1.00 64.11 O ATOM 925 CB VAL A 56 2.585 -4.161 -0.235 1.00 42.21 C ATOM 926 CG1 VAL A 56 2.251 -5.333 -1.191 1.00 52.32 C ATOM 927 CG2 VAL A 56 3.208 -4.680 1.083 1.00 50.23 C ATOM 0 H VAL A 56 3.139 -1.836 0.705 1.00 30.55 H new ATOM 0 HA VAL A 56 4.425 -3.597 -1.241 1.00 34.23 H new ATOM 0 HB VAL A 56 1.645 -3.663 0.004 1.00 42.21 H new ATOM 0 HG11 VAL A 56 1.605 -6.047 -0.680 1.00 52.32 H new ATOM 0 HG12 VAL A 56 1.740 -4.948 -2.073 1.00 52.32 H new ATOM 0 HG13 VAL A 56 3.173 -5.830 -1.494 1.00 52.32 H new ATOM 0 HG21 VAL A 56 2.544 -5.417 1.534 1.00 50.23 H new ATOM 0 HG22 VAL A 56 4.173 -5.142 0.872 1.00 50.23 H new ATOM 0 HG23 VAL A 56 3.347 -3.847 1.772 1.00 50.23 H new ATOM 937 N PHE A 57 3.084 -3.007 -3.301 1.00 23.42 N ATOM 938 CA PHE A 57 2.433 -2.611 -4.542 1.00 42.32 C ATOM 939 C PHE A 57 1.582 -3.778 -5.033 1.00 32.43 C ATOM 940 O PHE A 57 2.101 -4.854 -5.330 1.00 11.43 O ATOM 941 CB PHE A 57 3.490 -2.184 -5.582 1.00 33.32 C ATOM 942 CG PHE A 57 4.308 -0.987 -5.109 1.00 52.42 C ATOM 943 CD1 PHE A 57 3.704 0.266 -4.970 1.00 72.22 C ATOM 944 CD2 PHE A 57 5.655 -1.112 -4.776 1.00 2.53 C ATOM 945 CE1 PHE A 57 4.420 1.347 -4.518 1.00 22.22 C ATOM 946 CE2 PHE A 57 6.368 -0.027 -4.327 1.00 50.24 C ATOM 947 CZ PHE A 57 5.754 1.202 -4.197 1.00 24.15 C ATOM 0 H PHE A 57 3.790 -3.732 -3.428 1.00 23.42 H new ATOM 0 HA PHE A 57 1.783 -1.751 -4.379 1.00 42.32 H new ATOM 0 HB2 PHE A 57 4.157 -3.021 -5.785 1.00 33.32 H new ATOM 0 HB3 PHE A 57 2.995 -1.936 -6.521 1.00 33.32 H new ATOM 0 HD1 PHE A 57 2.660 0.385 -5.221 1.00 72.22 H new ATOM 0 HD2 PHE A 57 6.143 -2.071 -4.872 1.00 2.53 H new ATOM 0 HE1 PHE A 57 3.940 2.309 -4.414 1.00 22.22 H new ATOM 0 HE2 PHE A 57 7.412 -0.136 -4.075 1.00 50.24 H new ATOM 0 HZ PHE A 57 6.319 2.052 -3.843 1.00 24.15 H new ATOM 957 N VAL A 58 0.269 -3.565 -5.032 1.00 3.14 N ATOM 958 CA VAL A 58 -0.741 -4.510 -5.524 1.00 41.33 C ATOM 959 C VAL A 58 -1.411 -3.877 -6.760 1.00 15.42 C ATOM 960 O VAL A 58 -1.412 -2.655 -6.897 1.00 53.35 O ATOM 961 CB VAL A 58 -1.812 -4.803 -4.396 1.00 24.13 C ATOM 962 CG1 VAL A 58 -2.843 -5.856 -4.843 1.00 31.24 C ATOM 963 CG2 VAL A 58 -1.126 -5.237 -3.072 1.00 21.52 C ATOM 0 H VAL A 58 -0.140 -2.701 -4.677 1.00 3.14 H new ATOM 0 HA VAL A 58 -0.279 -5.460 -5.793 1.00 41.33 H new ATOM 0 HB VAL A 58 -2.349 -3.872 -4.216 1.00 24.13 H new ATOM 0 HG11 VAL A 58 -3.560 -6.028 -4.040 1.00 31.24 H new ATOM 0 HG12 VAL A 58 -3.369 -5.498 -5.728 1.00 31.24 H new ATOM 0 HG13 VAL A 58 -2.331 -6.789 -5.078 1.00 31.24 H new ATOM 0 HG21 VAL A 58 -1.886 -5.432 -2.315 1.00 21.52 H new ATOM 0 HG22 VAL A 58 -0.544 -6.143 -3.243 1.00 21.52 H new ATOM 0 HG23 VAL A 58 -0.466 -4.442 -2.727 1.00 21.52 H new ATOM 973 N ARG A 59 -1.912 -4.694 -7.697 1.00 73.20 N ATOM 974 CA ARG A 59 -2.704 -4.185 -8.838 1.00 71.54 C ATOM 975 C ARG A 59 -4.169 -3.997 -8.416 1.00 41.22 C ATOM 976 O ARG A 59 -4.613 -4.571 -7.411 1.00 51.21 O ATOM 977 CB ARG A 59 -2.621 -5.151 -10.046 1.00 44.23 C ATOM 978 CG ARG A 59 -1.197 -5.365 -10.602 1.00 0.42 C ATOM 979 CD ARG A 59 -1.154 -6.405 -11.734 1.00 72.43 C ATOM 980 NE ARG A 59 0.228 -6.732 -12.133 1.00 2.32 N ATOM 981 CZ ARG A 59 0.638 -7.920 -12.614 1.00 74.12 C ATOM 982 NH1 ARG A 59 -0.221 -8.931 -12.773 1.00 73.43 N ATOM 983 NH2 ARG A 59 1.908 -8.086 -12.950 1.00 51.34 N ATOM 0 H ARG A 59 -1.787 -5.706 -7.692 1.00 73.20 H new ATOM 0 HA ARG A 59 -2.289 -3.224 -9.141 1.00 71.54 H new ATOM 0 HB2 ARG A 59 -3.030 -6.117 -9.750 1.00 44.23 H new ATOM 0 HB3 ARG A 59 -3.255 -4.767 -10.845 1.00 44.23 H new ATOM 0 HG2 ARG A 59 -0.809 -4.416 -10.971 1.00 0.42 H new ATOM 0 HG3 ARG A 59 -0.540 -5.686 -9.794 1.00 0.42 H new ATOM 0 HD2 ARG A 59 -1.662 -7.313 -11.411 1.00 72.43 H new ATOM 0 HD3 ARG A 59 -1.700 -6.024 -12.597 1.00 72.43 H new ATOM 0 HE ARG A 59 0.930 -5.998 -12.036 1.00 2.32 H new ATOM 0 HH11 ARG A 59 -1.204 -8.809 -12.529 1.00 73.43 H new ATOM 0 HH12 ARG A 59 0.106 -9.825 -13.139 1.00 73.43 H new ATOM 0 HH21 ARG A 59 2.569 -7.316 -12.844 1.00 51.34 H new ATOM 0 HH22 ARG A 59 2.226 -8.984 -13.315 1.00 51.34 H new ATOM 997 N GLY A 60 -4.912 -3.200 -9.203 1.00 74.04 N ATOM 998 CA GLY A 60 -6.358 -3.052 -9.016 1.00 32.11 C ATOM 999 C GLY A 60 -7.099 -4.358 -9.287 1.00 72.33 C ATOM 1000 O GLY A 60 -8.128 -4.638 -8.661 1.00 2.23 O ATOM 0 H GLY A 60 -4.531 -2.650 -9.973 1.00 74.04 H new ATOM 0 HA2 GLY A 60 -6.561 -2.723 -7.997 1.00 32.11 H new ATOM 0 HA3 GLY A 60 -6.734 -2.276 -9.682 1.00 32.11 H new ATOM 1004 N GLY A 61 -6.549 -5.159 -10.221 1.00 53.01 N ATOM 1005 CA GLY A 61 -7.104 -6.472 -10.570 1.00 41.43 C ATOM 1006 C GLY A 61 -6.871 -7.538 -9.504 1.00 64.01 C ATOM 1007 O GLY A 61 -7.581 -8.549 -9.470 1.00 70.11 O ATOM 0 H GLY A 61 -5.712 -4.911 -10.749 1.00 53.01 H new ATOM 0 HA2 GLY A 61 -8.176 -6.370 -10.741 1.00 41.43 H new ATOM 0 HA3 GLY A 61 -6.662 -6.806 -11.508 1.00 41.43 H new ATOM 1011 N ASP A 62 -5.868 -7.319 -8.640 1.00 74.45 N ATOM 1012 CA ASP A 62 -5.558 -8.221 -7.504 1.00 72.04 C ATOM 1013 C ASP A 62 -6.277 -7.719 -6.234 1.00 75.52 C ATOM 1014 O ASP A 62 -5.658 -7.450 -5.203 1.00 22.15 O ATOM 1015 CB ASP A 62 -4.017 -8.328 -7.301 1.00 13.44 C ATOM 1016 CG ASP A 62 -3.316 -9.039 -8.464 1.00 62.51 C ATOM 1017 OD1 ASP A 62 -3.367 -10.283 -8.524 1.00 54.43 O ATOM 1018 OD2 ASP A 62 -2.727 -8.370 -9.333 1.00 50.05 O ATOM 0 H ASP A 62 -5.245 -6.514 -8.703 1.00 74.45 H new ATOM 0 HA ASP A 62 -5.923 -9.225 -7.721 1.00 72.04 H new ATOM 0 HB2 ASP A 62 -3.599 -7.328 -7.187 1.00 13.44 H new ATOM 0 HB3 ASP A 62 -3.813 -8.866 -6.375 1.00 13.44 H new ATOM 1023 N ASP A 63 -7.616 -7.624 -6.335 1.00 21.01 N ATOM 1024 CA ASP A 63 -8.499 -7.121 -5.262 1.00 62.23 C ATOM 1025 C ASP A 63 -8.435 -8.017 -4.014 1.00 61.21 C ATOM 1026 O ASP A 63 -8.367 -7.515 -2.882 1.00 61.22 O ATOM 1027 CB ASP A 63 -9.960 -7.048 -5.786 1.00 42.54 C ATOM 1028 CG ASP A 63 -10.947 -6.443 -4.767 1.00 61.22 C ATOM 1029 OD1 ASP A 63 -11.110 -5.204 -4.766 1.00 53.01 O ATOM 1030 OD2 ASP A 63 -11.532 -7.191 -3.931 1.00 2.11 O ATOM 0 H ASP A 63 -8.124 -7.898 -7.176 1.00 21.01 H new ATOM 0 HA ASP A 63 -8.157 -6.126 -4.976 1.00 62.23 H new ATOM 0 HB2 ASP A 63 -9.981 -6.453 -6.699 1.00 42.54 H new ATOM 0 HB3 ASP A 63 -10.293 -8.051 -6.052 1.00 42.54 H new ATOM 1035 N GLU A 64 -8.484 -9.346 -4.241 1.00 71.14 N ATOM 1036 CA GLU A 64 -8.411 -10.349 -3.168 1.00 33.14 C ATOM 1037 C GLU A 64 -7.067 -10.273 -2.446 1.00 74.24 C ATOM 1038 O GLU A 64 -7.038 -10.168 -1.224 1.00 74.21 O ATOM 1039 CB GLU A 64 -8.667 -11.779 -3.721 1.00 73.43 C ATOM 1040 CG GLU A 64 -10.155 -12.126 -3.969 1.00 50.44 C ATOM 1041 CD GLU A 64 -10.873 -11.181 -4.946 1.00 61.04 C ATOM 1042 OE1 GLU A 64 -10.624 -11.272 -6.161 1.00 61.44 O ATOM 1043 OE2 GLU A 64 -11.697 -10.361 -4.508 1.00 41.30 O ATOM 0 H GLU A 64 -8.575 -9.750 -5.173 1.00 71.14 H new ATOM 0 HA GLU A 64 -9.196 -10.127 -2.445 1.00 33.14 H new ATOM 0 HB2 GLU A 64 -8.122 -11.893 -4.658 1.00 73.43 H new ATOM 0 HB3 GLU A 64 -8.252 -12.503 -3.020 1.00 73.43 H new ATOM 0 HG2 GLU A 64 -10.219 -13.144 -4.354 1.00 50.44 H new ATOM 0 HG3 GLU A 64 -10.683 -12.112 -3.015 1.00 50.44 H new ATOM 1050 N ARG A 65 -5.968 -10.266 -3.221 1.00 64.43 N ATOM 1051 CA ARG A 65 -4.600 -10.193 -2.671 1.00 15.23 C ATOM 1052 C ARG A 65 -4.417 -8.930 -1.814 1.00 61.52 C ATOM 1053 O ARG A 65 -3.768 -8.979 -0.780 1.00 24.20 O ATOM 1054 CB ARG A 65 -3.546 -10.250 -3.812 1.00 73.33 C ATOM 1055 CG ARG A 65 -3.544 -11.597 -4.569 1.00 4.04 C ATOM 1056 CD ARG A 65 -2.432 -11.705 -5.625 1.00 43.14 C ATOM 1057 NE ARG A 65 -2.258 -13.092 -6.104 1.00 42.43 N ATOM 1058 CZ ARG A 65 -1.848 -13.451 -7.336 1.00 65.44 C ATOM 1059 NH1 ARG A 65 -1.568 -12.538 -8.266 1.00 63.24 N ATOM 1060 NH2 ARG A 65 -1.718 -14.734 -7.629 1.00 41.24 N ATOM 0 H ARG A 65 -6.001 -10.310 -4.240 1.00 64.43 H new ATOM 0 HA ARG A 65 -4.448 -11.058 -2.025 1.00 15.23 H new ATOM 0 HB2 ARG A 65 -3.740 -9.443 -4.519 1.00 73.33 H new ATOM 0 HB3 ARG A 65 -2.555 -10.074 -3.392 1.00 73.33 H new ATOM 0 HG2 ARG A 65 -3.432 -12.409 -3.850 1.00 4.04 H new ATOM 0 HG3 ARG A 65 -4.510 -11.733 -5.055 1.00 4.04 H new ATOM 0 HD2 ARG A 65 -2.669 -11.057 -6.469 1.00 43.14 H new ATOM 0 HD3 ARG A 65 -1.494 -11.347 -5.202 1.00 43.14 H new ATOM 0 HE ARG A 65 -2.466 -13.842 -5.445 1.00 42.43 H new ATOM 0 HH11 ARG A 65 -1.663 -11.545 -8.051 1.00 63.24 H new ATOM 0 HH12 ARG A 65 -1.259 -12.832 -9.193 1.00 63.24 H new ATOM 0 HH21 ARG A 65 -1.928 -15.442 -6.925 1.00 41.24 H new ATOM 0 HH22 ARG A 65 -1.408 -15.016 -8.559 1.00 41.24 H new ATOM 1074 N ALA A 66 -5.043 -7.825 -2.239 1.00 30.13 N ATOM 1075 CA ALA A 66 -5.020 -6.554 -1.503 1.00 22.31 C ATOM 1076 C ALA A 66 -5.640 -6.694 -0.095 1.00 42.44 C ATOM 1077 O ALA A 66 -5.007 -6.355 0.902 1.00 25.03 O ATOM 1078 CB ALA A 66 -5.772 -5.490 -2.309 1.00 4.54 C ATOM 0 H ALA A 66 -5.581 -7.787 -3.105 1.00 30.13 H new ATOM 0 HA ALA A 66 -3.980 -6.255 -1.370 1.00 22.31 H new ATOM 0 HB1 ALA A 66 -5.757 -4.545 -1.766 1.00 4.54 H new ATOM 0 HB2 ALA A 66 -5.290 -5.360 -3.278 1.00 4.54 H new ATOM 0 HB3 ALA A 66 -6.804 -5.808 -2.457 1.00 4.54 H new ATOM 1084 N LYS A 67 -6.876 -7.224 -0.036 1.00 30.00 N ATOM 1085 CA LYS A 67 -7.665 -7.297 1.213 1.00 45.43 C ATOM 1086 C LYS A 67 -7.222 -8.453 2.141 1.00 75.41 C ATOM 1087 O LYS A 67 -7.426 -8.368 3.353 1.00 1.45 O ATOM 1088 CB LYS A 67 -9.178 -7.366 0.887 1.00 33.44 C ATOM 1089 CG LYS A 67 -9.646 -8.659 0.181 1.00 43.23 C ATOM 1090 CD LYS A 67 -11.004 -8.473 -0.536 1.00 71.33 C ATOM 1091 CE LYS A 67 -11.520 -9.769 -1.171 1.00 34.14 C ATOM 1092 NZ LYS A 67 -12.694 -9.525 -2.043 1.00 43.45 N ATOM 0 H LYS A 67 -7.356 -7.613 -0.848 1.00 30.00 H new ATOM 0 HA LYS A 67 -7.472 -6.382 1.774 1.00 45.43 H new ATOM 0 HB2 LYS A 67 -9.738 -7.256 1.816 1.00 33.44 H new ATOM 0 HB3 LYS A 67 -9.436 -6.515 0.257 1.00 33.44 H new ATOM 0 HG2 LYS A 67 -8.893 -8.968 -0.544 1.00 43.23 H new ATOM 0 HG3 LYS A 67 -9.731 -9.461 0.914 1.00 43.23 H new ATOM 0 HD2 LYS A 67 -11.740 -8.105 0.179 1.00 71.33 H new ATOM 0 HD3 LYS A 67 -10.901 -7.711 -1.308 1.00 71.33 H new ATOM 0 HE2 LYS A 67 -10.723 -10.230 -1.755 1.00 34.14 H new ATOM 0 HE3 LYS A 67 -11.790 -10.476 -0.386 1.00 34.14 H new ATOM 0 HZ1 LYS A 67 -13.473 -10.154 -1.760 1.00 43.45 H new ATOM 0 HZ2 LYS A 67 -12.997 -8.535 -1.949 1.00 43.45 H new ATOM 0 HZ3 LYS A 67 -12.437 -9.716 -3.033 1.00 43.45 H new ATOM 1106 N ASP A 68 -6.649 -9.534 1.561 1.00 22.24 N ATOM 1107 CA ASP A 68 -6.126 -10.697 2.325 1.00 21.14 C ATOM 1108 C ASP A 68 -4.798 -10.351 2.999 1.00 72.23 C ATOM 1109 O ASP A 68 -4.540 -10.776 4.126 1.00 41.43 O ATOM 1110 CB ASP A 68 -5.943 -11.946 1.416 1.00 74.02 C ATOM 1111 CG ASP A 68 -7.278 -12.563 0.952 1.00 32.00 C ATOM 1112 OD1 ASP A 68 -8.160 -12.789 1.810 1.00 2.23 O ATOM 1113 OD2 ASP A 68 -7.437 -12.867 -0.250 1.00 60.03 O ATOM 0 H ASP A 68 -6.535 -9.627 0.552 1.00 22.24 H new ATOM 0 HA ASP A 68 -6.864 -10.936 3.090 1.00 21.14 H new ATOM 0 HB2 ASP A 68 -5.356 -11.667 0.541 1.00 74.02 H new ATOM 0 HB3 ASP A 68 -5.371 -12.700 1.957 1.00 74.02 H new ATOM 1118 N ILE A 69 -3.952 -9.593 2.280 1.00 33.24 N ATOM 1119 CA ILE A 69 -2.690 -9.059 2.819 1.00 43.41 C ATOM 1120 C ILE A 69 -2.998 -7.931 3.843 1.00 41.34 C ATOM 1121 O ILE A 69 -2.266 -7.761 4.821 1.00 60.25 O ATOM 1122 CB ILE A 69 -1.750 -8.560 1.650 1.00 14.04 C ATOM 1123 CG1 ILE A 69 -1.242 -9.768 0.786 1.00 51.01 C ATOM 1124 CG2 ILE A 69 -0.563 -7.726 2.167 1.00 20.43 C ATOM 1125 CD1 ILE A 69 -0.489 -9.374 -0.485 1.00 5.15 C ATOM 0 H ILE A 69 -4.124 -9.334 1.309 1.00 33.24 H new ATOM 0 HA ILE A 69 -2.152 -9.851 3.340 1.00 43.41 H new ATOM 0 HB ILE A 69 -2.351 -7.906 1.019 1.00 14.04 H new ATOM 0 HG12 ILE A 69 -0.589 -10.388 1.401 1.00 51.01 H new ATOM 0 HG13 ILE A 69 -2.098 -10.384 0.509 1.00 51.01 H new ATOM 0 HG21 ILE A 69 0.052 -7.407 1.325 1.00 20.43 H new ATOM 0 HG22 ILE A 69 -0.937 -6.849 2.695 1.00 20.43 H new ATOM 0 HG23 ILE A 69 0.038 -8.330 2.847 1.00 20.43 H new ATOM 0 HD11 ILE A 69 -0.177 -10.273 -1.016 1.00 5.15 H new ATOM 0 HD12 ILE A 69 -1.142 -8.782 -1.126 1.00 5.15 H new ATOM 0 HD13 ILE A 69 0.390 -8.786 -0.220 1.00 5.15 H new ATOM 1137 N ALA A 70 -4.104 -7.185 3.599 1.00 11.44 N ATOM 1138 CA ALA A 70 -4.626 -6.160 4.532 1.00 35.32 C ATOM 1139 C ALA A 70 -5.139 -6.794 5.822 1.00 74.01 C ATOM 1140 O ALA A 70 -4.955 -6.248 6.915 1.00 64.53 O ATOM 1141 CB ALA A 70 -5.749 -5.355 3.854 1.00 11.25 C ATOM 0 H ALA A 70 -4.659 -7.279 2.748 1.00 11.44 H new ATOM 0 HA ALA A 70 -3.807 -5.489 4.791 1.00 35.32 H new ATOM 0 HB1 ALA A 70 -6.127 -4.603 4.547 1.00 11.25 H new ATOM 0 HB2 ALA A 70 -5.357 -4.863 2.964 1.00 11.25 H new ATOM 0 HB3 ALA A 70 -6.559 -6.028 3.571 1.00 11.25 H new ATOM 1147 N GLU A 71 -5.790 -7.954 5.659 1.00 41.44 N ATOM 1148 CA GLU A 71 -6.328 -8.737 6.766 1.00 3.24 C ATOM 1149 C GLU A 71 -5.176 -9.265 7.617 1.00 3.21 C ATOM 1150 O GLU A 71 -5.164 -9.068 8.829 1.00 40.43 O ATOM 1151 CB GLU A 71 -7.197 -9.896 6.217 1.00 61.11 C ATOM 1152 CG GLU A 71 -7.982 -10.675 7.288 1.00 73.34 C ATOM 1153 CD GLU A 71 -8.947 -9.783 8.090 1.00 5.45 C ATOM 1154 OE1 GLU A 71 -9.976 -9.344 7.526 1.00 42.34 O ATOM 1155 OE2 GLU A 71 -8.681 -9.492 9.275 1.00 4.33 O ATOM 0 H GLU A 71 -5.956 -8.374 4.744 1.00 41.44 H new ATOM 0 HA GLU A 71 -6.962 -8.109 7.392 1.00 3.24 H new ATOM 0 HB2 GLU A 71 -7.903 -9.491 5.492 1.00 61.11 H new ATOM 0 HB3 GLU A 71 -6.553 -10.592 5.680 1.00 61.11 H new ATOM 0 HG2 GLU A 71 -8.548 -11.474 6.808 1.00 73.34 H new ATOM 0 HG3 GLU A 71 -7.279 -11.149 7.973 1.00 73.34 H new ATOM 1162 N TYR A 72 -4.181 -9.870 6.927 1.00 14.14 N ATOM 1163 CA TYR A 72 -2.948 -10.395 7.537 1.00 41.24 C ATOM 1164 C TYR A 72 -2.231 -9.296 8.337 1.00 54.35 C ATOM 1165 O TYR A 72 -1.864 -9.510 9.487 1.00 0.43 O ATOM 1166 CB TYR A 72 -2.005 -10.971 6.431 1.00 62.43 C ATOM 1167 CG TYR A 72 -0.665 -11.520 6.964 1.00 64.23 C ATOM 1168 CD1 TYR A 72 -0.607 -12.765 7.588 1.00 43.54 C ATOM 1169 CD2 TYR A 72 0.527 -10.780 6.866 1.00 1.32 C ATOM 1170 CE1 TYR A 72 0.574 -13.254 8.104 1.00 64.54 C ATOM 1171 CE2 TYR A 72 1.710 -11.274 7.376 1.00 33.30 C ATOM 1172 CZ TYR A 72 1.728 -12.508 7.994 1.00 24.14 C ATOM 1173 OH TYR A 72 2.905 -12.998 8.508 1.00 12.24 O ATOM 0 H TYR A 72 -4.218 -10.006 5.917 1.00 14.14 H new ATOM 0 HA TYR A 72 -3.213 -11.199 8.224 1.00 41.24 H new ATOM 0 HB2 TYR A 72 -2.528 -11.769 5.904 1.00 62.43 H new ATOM 0 HB3 TYR A 72 -1.799 -10.188 5.701 1.00 62.43 H new ATOM 0 HD1 TYR A 72 -1.506 -13.359 7.669 1.00 43.54 H new ATOM 0 HD2 TYR A 72 0.516 -9.813 6.385 1.00 1.32 H new ATOM 0 HE1 TYR A 72 0.595 -14.217 8.592 1.00 64.54 H new ATOM 0 HE2 TYR A 72 2.619 -10.697 7.292 1.00 33.30 H new ATOM 0 HH TYR A 72 2.712 -13.572 9.279 1.00 12.24 H new ATOM 1183 N ALA A 73 -2.093 -8.114 7.711 1.00 23.55 N ATOM 1184 CA ALA A 73 -1.384 -6.957 8.284 1.00 11.34 C ATOM 1185 C ALA A 73 -2.061 -6.452 9.573 1.00 20.34 C ATOM 1186 O ALA A 73 -1.384 -6.092 10.542 1.00 44.05 O ATOM 1187 CB ALA A 73 -1.313 -5.839 7.235 1.00 14.54 C ATOM 0 H ALA A 73 -2.475 -7.934 6.783 1.00 23.55 H new ATOM 0 HA ALA A 73 -0.376 -7.269 8.556 1.00 11.34 H new ATOM 0 HB1 ALA A 73 -0.789 -4.980 7.654 1.00 14.54 H new ATOM 0 HB2 ALA A 73 -0.777 -6.198 6.356 1.00 14.54 H new ATOM 0 HB3 ALA A 73 -2.323 -5.544 6.949 1.00 14.54 H new ATOM 1193 N GLN A 74 -3.409 -6.442 9.573 1.00 71.14 N ATOM 1194 CA GLN A 74 -4.201 -6.019 10.744 1.00 60.12 C ATOM 1195 C GLN A 74 -4.122 -7.086 11.856 1.00 70.54 C ATOM 1196 O GLN A 74 -4.113 -6.748 13.048 1.00 53.24 O ATOM 1197 CB GLN A 74 -5.669 -5.708 10.325 1.00 1.44 C ATOM 1198 CG GLN A 74 -6.550 -5.122 11.454 1.00 21.02 C ATOM 1199 CD GLN A 74 -7.857 -4.502 10.947 1.00 42.13 C ATOM 1200 OE1 GLN A 74 -7.908 -3.314 10.629 1.00 44.12 O ATOM 1201 NE2 GLN A 74 -8.915 -5.285 10.864 1.00 4.32 N ATOM 0 H GLN A 74 -3.973 -6.723 8.771 1.00 71.14 H new ATOM 0 HA GLN A 74 -3.782 -5.098 11.149 1.00 60.12 H new ATOM 0 HB2 GLN A 74 -5.654 -5.005 9.492 1.00 1.44 H new ATOM 0 HB3 GLN A 74 -6.131 -6.625 9.960 1.00 1.44 H new ATOM 0 HG2 GLN A 74 -6.784 -5.911 12.169 1.00 21.02 H new ATOM 0 HG3 GLN A 74 -5.981 -4.363 11.992 1.00 21.02 H new ATOM 0 HE21 GLN A 74 -8.846 -6.266 11.134 1.00 4.32 H new ATOM 0 HE22 GLN A 74 -9.803 -4.909 10.530 1.00 4.32 H new ATOM 1210 N LYS A 75 -4.017 -8.371 11.446 1.00 45.14 N ATOM 1211 CA LYS A 75 -3.798 -9.513 12.366 1.00 25.52 C ATOM 1212 C LYS A 75 -2.404 -9.433 13.038 1.00 44.25 C ATOM 1213 O LYS A 75 -2.237 -9.876 14.180 1.00 50.11 O ATOM 1214 CB LYS A 75 -3.938 -10.871 11.610 1.00 24.23 C ATOM 1215 CG LYS A 75 -5.345 -11.212 11.028 1.00 73.40 C ATOM 1216 CD LYS A 75 -6.306 -11.918 12.022 1.00 71.32 C ATOM 1217 CE LYS A 75 -6.771 -11.036 13.189 1.00 10.35 C ATOM 1218 NZ LYS A 75 -7.698 -11.753 14.100 1.00 52.42 N ATOM 0 H LYS A 75 -4.082 -8.647 10.466 1.00 45.14 H new ATOM 0 HA LYS A 75 -4.562 -9.457 13.141 1.00 25.52 H new ATOM 0 HB2 LYS A 75 -3.220 -10.878 10.790 1.00 24.23 H new ATOM 0 HB3 LYS A 75 -3.650 -11.671 12.292 1.00 24.23 H new ATOM 0 HG2 LYS A 75 -5.814 -10.290 10.684 1.00 73.40 H new ATOM 0 HG3 LYS A 75 -5.216 -11.850 10.154 1.00 73.40 H new ATOM 0 HD2 LYS A 75 -7.182 -12.268 11.475 1.00 71.32 H new ATOM 0 HD3 LYS A 75 -5.809 -12.800 12.425 1.00 71.32 H new ATOM 0 HE2 LYS A 75 -5.903 -10.695 13.752 1.00 10.35 H new ATOM 0 HE3 LYS A 75 -7.265 -10.148 12.796 1.00 10.35 H new ATOM 0 HZ1 LYS A 75 -7.985 -11.119 14.872 1.00 52.42 H new ATOM 0 HZ2 LYS A 75 -8.540 -12.057 13.570 1.00 52.42 H new ATOM 0 HZ3 LYS A 75 -7.219 -12.587 14.497 1.00 52.42 H new ATOM 1232 N GLU A 76 -1.415 -8.867 12.310 1.00 63.12 N ATOM 1233 CA GLU A 76 -0.048 -8.646 12.832 1.00 53.04 C ATOM 1234 C GLU A 76 -0.025 -7.494 13.869 1.00 15.23 C ATOM 1235 O GLU A 76 0.955 -7.344 14.608 1.00 13.44 O ATOM 1236 CB GLU A 76 0.936 -8.314 11.672 1.00 31.13 C ATOM 1237 CG GLU A 76 1.057 -9.372 10.562 1.00 32.04 C ATOM 1238 CD GLU A 76 1.534 -10.744 11.052 1.00 75.04 C ATOM 1239 OE1 GLU A 76 2.762 -10.948 11.170 1.00 42.43 O ATOM 1240 OE2 GLU A 76 0.691 -11.629 11.319 1.00 70.53 O ATOM 0 H GLU A 76 -1.541 -8.552 11.348 1.00 63.12 H new ATOM 0 HA GLU A 76 0.268 -9.567 13.321 1.00 53.04 H new ATOM 0 HB2 GLU A 76 0.625 -7.374 11.217 1.00 31.13 H new ATOM 0 HB3 GLU A 76 1.926 -8.150 12.098 1.00 31.13 H new ATOM 0 HG2 GLU A 76 0.087 -9.488 10.079 1.00 32.04 H new ATOM 0 HG3 GLU A 76 1.750 -9.009 9.803 1.00 32.04 H new ATOM 1247 N GLY A 77 -1.109 -6.695 13.909 1.00 31.52 N ATOM 1248 CA GLY A 77 -1.214 -5.543 14.810 1.00 53.12 C ATOM 1249 C GLY A 77 -0.552 -4.301 14.222 1.00 12.15 C ATOM 1250 O GLY A 77 0.066 -3.507 14.945 1.00 21.41 O ATOM 0 H GLY A 77 -1.929 -6.833 13.319 1.00 31.52 H new ATOM 0 HA2 GLY A 77 -2.265 -5.334 15.011 1.00 53.12 H new ATOM 0 HA3 GLY A 77 -0.748 -5.785 15.765 1.00 53.12 H new ATOM 1254 N LEU A 78 -0.675 -4.156 12.888 1.00 23.32 N ATOM 1255 CA LEU A 78 -0.042 -3.066 12.115 1.00 14.34 C ATOM 1256 C LEU A 78 -1.126 -2.161 11.496 1.00 61.25 C ATOM 1257 O LEU A 78 -2.239 -2.630 11.201 1.00 12.32 O ATOM 1258 CB LEU A 78 0.864 -3.667 10.991 1.00 22.21 C ATOM 1259 CG LEU A 78 1.878 -4.780 11.434 1.00 33.41 C ATOM 1260 CD1 LEU A 78 2.742 -5.270 10.258 1.00 14.12 C ATOM 1261 CD2 LEU A 78 2.766 -4.318 12.599 1.00 63.40 C ATOM 0 H LEU A 78 -1.220 -4.796 12.311 1.00 23.32 H new ATOM 0 HA LEU A 78 0.576 -2.467 12.784 1.00 14.34 H new ATOM 0 HB2 LEU A 78 0.218 -4.081 10.217 1.00 22.21 H new ATOM 0 HB3 LEU A 78 1.428 -2.853 10.535 1.00 22.21 H new ATOM 0 HG LEU A 78 1.278 -5.620 11.784 1.00 33.41 H new ATOM 0 HD11 LEU A 78 3.430 -6.040 10.608 1.00 14.12 H new ATOM 0 HD12 LEU A 78 2.099 -5.684 9.482 1.00 14.12 H new ATOM 0 HD13 LEU A 78 3.310 -4.434 9.851 1.00 14.12 H new ATOM 0 HD21 LEU A 78 3.452 -5.119 12.873 1.00 63.40 H new ATOM 0 HD22 LEU A 78 3.336 -3.440 12.296 1.00 63.40 H new ATOM 0 HD23 LEU A 78 2.141 -4.067 13.456 1.00 63.40 H new ATOM 1273 N ARG A 79 -0.800 -0.866 11.313 1.00 2.12 N ATOM 1274 CA ARG A 79 -1.687 0.098 10.634 1.00 33.13 C ATOM 1275 C ARG A 79 -1.747 -0.218 9.130 1.00 0.22 C ATOM 1276 O ARG A 79 -0.729 -0.156 8.444 1.00 43.50 O ATOM 1277 CB ARG A 79 -1.219 1.575 10.877 1.00 2.45 C ATOM 1278 CG ARG A 79 -1.865 2.317 12.076 1.00 74.44 C ATOM 1279 CD ARG A 79 -1.492 1.764 13.463 1.00 52.32 C ATOM 1280 NE ARG A 79 -2.157 0.486 13.787 1.00 63.15 N ATOM 1281 CZ ARG A 79 -2.308 -0.010 15.025 1.00 70.20 C ATOM 1282 NH1 ARG A 79 -1.838 0.650 16.085 1.00 34.10 N ATOM 1283 NH2 ARG A 79 -2.914 -1.174 15.200 1.00 33.31 N ATOM 0 H ARG A 79 0.081 -0.461 11.630 1.00 2.12 H new ATOM 0 HA ARG A 79 -2.687 0.002 11.056 1.00 33.13 H new ATOM 0 HB2 ARG A 79 -0.138 1.571 11.020 1.00 2.45 H new ATOM 0 HB3 ARG A 79 -1.419 2.149 9.972 1.00 2.45 H new ATOM 0 HG2 ARG A 79 -1.577 3.367 12.031 1.00 74.44 H new ATOM 0 HG3 ARG A 79 -2.949 2.279 11.966 1.00 74.44 H new ATOM 0 HD2 ARG A 79 -0.412 1.625 13.511 1.00 52.32 H new ATOM 0 HD3 ARG A 79 -1.752 2.502 14.222 1.00 52.32 H new ATOM 0 HE ARG A 79 -2.530 -0.061 13.011 1.00 63.15 H new ATOM 0 HH11 ARG A 79 -1.358 1.541 15.959 1.00 34.10 H new ATOM 0 HH12 ARG A 79 -1.959 0.263 17.021 1.00 34.10 H new ATOM 0 HH21 ARG A 79 -3.265 -1.692 14.395 1.00 33.31 H new ATOM 0 HH22 ARG A 79 -3.030 -1.553 16.140 1.00 33.31 H new ATOM 1297 N VAL A 80 -2.947 -0.555 8.634 1.00 73.51 N ATOM 1298 CA VAL A 80 -3.159 -0.867 7.217 1.00 42.43 C ATOM 1299 C VAL A 80 -3.647 0.392 6.493 1.00 63.14 C ATOM 1300 O VAL A 80 -4.752 0.891 6.755 1.00 34.44 O ATOM 1301 CB VAL A 80 -4.207 -2.018 7.034 1.00 32.12 C ATOM 1302 CG1 VAL A 80 -4.347 -2.431 5.548 1.00 35.44 C ATOM 1303 CG2 VAL A 80 -3.860 -3.233 7.926 1.00 20.34 C ATOM 0 H VAL A 80 -3.792 -0.618 9.202 1.00 73.51 H new ATOM 0 HA VAL A 80 -2.213 -1.204 6.794 1.00 42.43 H new ATOM 0 HB VAL A 80 -5.175 -1.634 7.355 1.00 32.12 H new ATOM 0 HG11 VAL A 80 -5.082 -3.231 5.460 1.00 35.44 H new ATOM 0 HG12 VAL A 80 -4.673 -1.573 4.961 1.00 35.44 H new ATOM 0 HG13 VAL A 80 -3.384 -2.780 5.175 1.00 35.44 H new ATOM 0 HG21 VAL A 80 -4.603 -4.016 7.779 1.00 20.34 H new ATOM 0 HG22 VAL A 80 -2.875 -3.613 7.656 1.00 20.34 H new ATOM 0 HG23 VAL A 80 -3.857 -2.927 8.972 1.00 20.34 H new ATOM 1313 N ILE A 81 -2.800 0.904 5.601 1.00 11.13 N ATOM 1314 CA ILE A 81 -3.104 2.052 4.745 1.00 62.32 C ATOM 1315 C ILE A 81 -3.217 1.527 3.310 1.00 71.34 C ATOM 1316 O ILE A 81 -2.237 1.063 2.742 1.00 25.25 O ATOM 1317 CB ILE A 81 -1.999 3.200 4.868 1.00 22.31 C ATOM 1318 CG1 ILE A 81 -2.184 4.075 6.168 1.00 71.25 C ATOM 1319 CG2 ILE A 81 -1.961 4.115 3.621 1.00 44.21 C ATOM 1320 CD1 ILE A 81 -1.907 3.377 7.486 1.00 51.01 C ATOM 0 H ILE A 81 -1.865 0.526 5.450 1.00 11.13 H new ATOM 0 HA ILE A 81 -4.040 2.515 5.057 1.00 62.32 H new ATOM 0 HB ILE A 81 -1.044 2.679 4.940 1.00 22.31 H new ATOM 0 HG12 ILE A 81 -1.528 4.942 6.094 1.00 71.25 H new ATOM 0 HG13 ILE A 81 -3.207 4.450 6.187 1.00 71.25 H new ATOM 0 HG21 ILE A 81 -1.194 4.879 3.753 1.00 44.21 H new ATOM 0 HG22 ILE A 81 -1.730 3.518 2.739 1.00 44.21 H new ATOM 0 HG23 ILE A 81 -2.932 4.594 3.491 1.00 44.21 H new ATOM 0 HD11 ILE A 81 -2.066 4.075 8.308 1.00 51.01 H new ATOM 0 HD12 ILE A 81 -2.580 2.527 7.596 1.00 51.01 H new ATOM 0 HD13 ILE A 81 -0.875 3.027 7.502 1.00 51.01 H new ATOM 1332 N VAL A 82 -4.423 1.576 2.739 1.00 22.24 N ATOM 1333 CA VAL A 82 -4.679 1.121 1.363 1.00 42.15 C ATOM 1334 C VAL A 82 -4.770 2.351 0.443 1.00 30.44 C ATOM 1335 O VAL A 82 -5.716 3.109 0.544 1.00 62.05 O ATOM 1336 CB VAL A 82 -6.015 0.278 1.303 1.00 73.42 C ATOM 1337 CG1 VAL A 82 -6.359 -0.165 -0.141 1.00 60.30 C ATOM 1338 CG2 VAL A 82 -5.952 -0.946 2.258 1.00 21.21 C ATOM 0 H VAL A 82 -5.252 1.932 3.215 1.00 22.24 H new ATOM 0 HA VAL A 82 -3.864 0.479 1.029 1.00 42.15 H new ATOM 0 HB VAL A 82 -6.818 0.932 1.641 1.00 73.42 H new ATOM 0 HG11 VAL A 82 -7.284 -0.741 -0.134 1.00 60.30 H new ATOM 0 HG12 VAL A 82 -6.484 0.715 -0.772 1.00 60.30 H new ATOM 0 HG13 VAL A 82 -5.551 -0.781 -0.535 1.00 60.30 H new ATOM 0 HG21 VAL A 82 -6.885 -1.506 2.194 1.00 21.21 H new ATOM 0 HG22 VAL A 82 -5.122 -1.591 1.969 1.00 21.21 H new ATOM 0 HG23 VAL A 82 -5.805 -0.602 3.282 1.00 21.21 H new ATOM 1348 N ILE A 83 -3.790 2.551 -0.451 1.00 14.35 N ATOM 1349 CA ILE A 83 -3.798 3.690 -1.395 1.00 75.45 C ATOM 1350 C ILE A 83 -4.157 3.190 -2.796 1.00 73.11 C ATOM 1351 O ILE A 83 -3.339 2.588 -3.482 1.00 13.40 O ATOM 1352 CB ILE A 83 -2.411 4.438 -1.425 1.00 61.33 C ATOM 1353 CG1 ILE A 83 -2.021 4.907 0.008 1.00 3.03 C ATOM 1354 CG2 ILE A 83 -2.430 5.636 -2.418 1.00 43.44 C ATOM 1355 CD1 ILE A 83 -0.661 5.576 0.112 1.00 61.41 C ATOM 0 H ILE A 83 -2.978 1.940 -0.544 1.00 14.35 H new ATOM 0 HA ILE A 83 -4.546 4.405 -1.054 1.00 75.45 H new ATOM 0 HB ILE A 83 -1.656 3.736 -1.779 1.00 61.33 H new ATOM 0 HG12 ILE A 83 -2.780 5.602 0.367 1.00 3.03 H new ATOM 0 HG13 ILE A 83 -2.038 4.045 0.674 1.00 3.03 H new ATOM 0 HG21 ILE A 83 -1.458 6.128 -2.413 1.00 43.44 H new ATOM 0 HG22 ILE A 83 -2.647 5.273 -3.422 1.00 43.44 H new ATOM 0 HG23 ILE A 83 -3.199 6.347 -2.115 1.00 43.44 H new ATOM 0 HD11 ILE A 83 -0.477 5.868 1.146 1.00 61.41 H new ATOM 0 HD12 ILE A 83 0.113 4.880 -0.211 1.00 61.41 H new ATOM 0 HD13 ILE A 83 -0.641 6.461 -0.524 1.00 61.41 H new ATOM 1367 N ILE A 84 -5.394 3.449 -3.208 1.00 62.55 N ATOM 1368 CA ILE A 84 -5.877 3.093 -4.541 1.00 1.31 C ATOM 1369 C ILE A 84 -5.567 4.244 -5.495 1.00 10.14 C ATOM 1370 O ILE A 84 -6.005 5.375 -5.267 1.00 32.22 O ATOM 1371 CB ILE A 84 -7.415 2.800 -4.525 1.00 25.12 C ATOM 1372 CG1 ILE A 84 -7.745 1.798 -3.380 1.00 71.33 C ATOM 1373 CG2 ILE A 84 -7.904 2.262 -5.899 1.00 2.14 C ATOM 1374 CD1 ILE A 84 -9.211 1.643 -3.098 1.00 2.20 C ATOM 0 H ILE A 84 -6.092 3.913 -2.627 1.00 62.55 H new ATOM 0 HA ILE A 84 -5.374 2.185 -4.874 1.00 1.31 H new ATOM 0 HB ILE A 84 -7.945 3.734 -4.340 1.00 25.12 H new ATOM 0 HG12 ILE A 84 -7.331 0.823 -3.636 1.00 71.33 H new ATOM 0 HG13 ILE A 84 -7.245 2.127 -2.469 1.00 71.33 H new ATOM 0 HG21 ILE A 84 -8.976 2.069 -5.854 1.00 2.14 H new ATOM 0 HG22 ILE A 84 -7.701 3.002 -6.673 1.00 2.14 H new ATOM 0 HG23 ILE A 84 -7.378 1.337 -6.135 1.00 2.14 H new ATOM 0 HD11 ILE A 84 -9.352 0.928 -2.288 1.00 2.20 H new ATOM 0 HD12 ILE A 84 -9.630 2.607 -2.808 1.00 2.20 H new ATOM 0 HD13 ILE A 84 -9.717 1.282 -3.993 1.00 2.20 H new ATOM 1386 N VAL A 85 -4.756 3.964 -6.516 1.00 64.14 N ATOM 1387 CA VAL A 85 -4.413 4.928 -7.558 1.00 44.20 C ATOM 1388 C VAL A 85 -5.147 4.536 -8.848 1.00 71.42 C ATOM 1389 O VAL A 85 -4.764 3.565 -9.520 1.00 24.01 O ATOM 1390 CB VAL A 85 -2.863 4.990 -7.813 1.00 2.45 C ATOM 1391 CG1 VAL A 85 -2.491 6.285 -8.568 1.00 75.01 C ATOM 1392 CG2 VAL A 85 -2.059 4.845 -6.495 1.00 11.23 C ATOM 0 H VAL A 85 -4.316 3.053 -6.643 1.00 64.14 H new ATOM 0 HA VAL A 85 -4.722 5.921 -7.231 1.00 44.20 H new ATOM 0 HB VAL A 85 -2.591 4.142 -8.442 1.00 2.45 H new ATOM 0 HG11 VAL A 85 -1.414 6.312 -8.736 1.00 75.01 H new ATOM 0 HG12 VAL A 85 -3.009 6.309 -9.527 1.00 75.01 H new ATOM 0 HG13 VAL A 85 -2.787 7.150 -7.974 1.00 75.01 H new ATOM 0 HG21 VAL A 85 -0.992 4.893 -6.713 1.00 11.23 H new ATOM 0 HG22 VAL A 85 -2.327 5.653 -5.814 1.00 11.23 H new ATOM 0 HG23 VAL A 85 -2.292 3.887 -6.030 1.00 11.23 H new ATOM 1402 N SER A 86 -6.226 5.262 -9.154 1.00 51.42 N ATOM 1403 CA SER A 86 -7.062 5.035 -10.338 1.00 55.12 C ATOM 1404 C SER A 86 -7.591 6.386 -10.842 1.00 74.03 C ATOM 1405 O SER A 86 -8.028 7.219 -10.032 1.00 2.44 O ATOM 1406 CB SER A 86 -8.252 4.091 -9.992 1.00 25.21 C ATOM 1407 OG SER A 86 -7.812 2.831 -9.492 1.00 70.10 O ATOM 0 H SER A 86 -6.549 6.038 -8.576 1.00 51.42 H new ATOM 0 HA SER A 86 -6.465 4.560 -11.116 1.00 55.12 H new ATOM 0 HB2 SER A 86 -8.891 4.571 -9.251 1.00 25.21 H new ATOM 0 HB3 SER A 86 -8.860 3.934 -10.883 1.00 25.21 H new ATOM 0 HG SER A 86 -8.590 2.271 -9.286 1.00 70.10 H new ATOM 1413 N GLN A 87 -7.533 6.612 -12.168 1.00 44.25 N ATOM 1414 CA GLN A 87 -8.138 7.803 -12.802 1.00 42.44 C ATOM 1415 C GLN A 87 -9.677 7.696 -12.779 1.00 2.41 C ATOM 1416 O GLN A 87 -10.383 8.707 -12.824 1.00 22.31 O ATOM 1417 CB GLN A 87 -7.602 7.994 -14.247 1.00 4.41 C ATOM 1418 CG GLN A 87 -7.939 6.841 -15.225 1.00 64.13 C ATOM 1419 CD GLN A 87 -7.397 7.055 -16.646 1.00 11.55 C ATOM 1420 OE1 GLN A 87 -7.274 8.184 -17.127 1.00 35.23 O ATOM 1421 NE2 GLN A 87 -7.065 5.970 -17.330 1.00 25.00 N ATOM 0 H GLN A 87 -7.071 5.983 -12.825 1.00 44.25 H new ATOM 0 HA GLN A 87 -7.852 8.686 -12.230 1.00 42.44 H new ATOM 0 HB2 GLN A 87 -8.007 8.922 -14.649 1.00 4.41 H new ATOM 0 HB3 GLN A 87 -6.519 8.110 -14.205 1.00 4.41 H new ATOM 0 HG2 GLN A 87 -7.534 5.910 -14.828 1.00 64.13 H new ATOM 0 HG3 GLN A 87 -9.021 6.723 -15.273 1.00 64.13 H new ATOM 0 HE21 GLN A 87 -7.177 5.048 -16.909 1.00 25.00 H new ATOM 0 HE22 GLN A 87 -6.698 6.057 -18.278 1.00 25.00 H new ATOM 1430 N ASP A 88 -10.183 6.445 -12.707 1.00 43.14 N ATOM 1431 CA ASP A 88 -11.604 6.173 -12.468 1.00 42.04 C ATOM 1432 C ASP A 88 -11.903 6.396 -10.981 1.00 61.53 C ATOM 1433 O ASP A 88 -11.540 5.570 -10.137 1.00 23.22 O ATOM 1434 CB ASP A 88 -11.988 4.726 -12.881 1.00 61.24 C ATOM 1435 CG ASP A 88 -11.725 4.428 -14.363 1.00 24.00 C ATOM 1436 OD1 ASP A 88 -12.482 4.934 -15.223 1.00 24.40 O ATOM 1437 OD2 ASP A 88 -10.761 3.696 -14.675 1.00 3.13 O ATOM 0 H ASP A 88 -9.615 5.604 -12.813 1.00 43.14 H new ATOM 0 HA ASP A 88 -12.199 6.852 -13.079 1.00 42.04 H new ATOM 0 HB2 ASP A 88 -11.426 4.020 -12.270 1.00 61.24 H new ATOM 0 HB3 ASP A 88 -13.044 4.562 -12.666 1.00 61.24 H new ATOM 1442 N GLU A 89 -12.528 7.540 -10.680 1.00 31.41 N ATOM 1443 CA GLU A 89 -12.966 7.905 -9.318 1.00 30.00 C ATOM 1444 C GLU A 89 -14.136 7.011 -8.849 1.00 35.04 C ATOM 1445 O GLU A 89 -14.377 6.858 -7.644 1.00 53.22 O ATOM 1446 CB GLU A 89 -13.342 9.405 -9.293 1.00 20.41 C ATOM 1447 CG GLU A 89 -12.192 10.332 -9.755 1.00 71.33 C ATOM 1448 CD GLU A 89 -12.577 11.818 -9.861 1.00 24.34 C ATOM 1449 OE1 GLU A 89 -13.577 12.130 -10.535 1.00 2.40 O ATOM 1450 OE2 GLU A 89 -11.861 12.683 -9.311 1.00 21.42 O ATOM 0 H GLU A 89 -12.749 8.249 -11.379 1.00 31.41 H new ATOM 0 HA GLU A 89 -12.148 7.737 -8.617 1.00 30.00 H new ATOM 0 HB2 GLU A 89 -14.209 9.566 -9.934 1.00 20.41 H new ATOM 0 HB3 GLU A 89 -13.638 9.681 -8.281 1.00 20.41 H new ATOM 0 HG2 GLU A 89 -11.360 10.234 -9.058 1.00 71.33 H new ATOM 0 HG3 GLU A 89 -11.835 9.991 -10.727 1.00 71.33 H new ATOM 1457 N GLU A 90 -14.838 6.429 -9.832 1.00 51.32 N ATOM 1458 CA GLU A 90 -15.884 5.421 -9.626 1.00 63.33 C ATOM 1459 C GLU A 90 -15.241 4.109 -9.076 1.00 63.34 C ATOM 1460 O GLU A 90 -15.781 3.477 -8.156 1.00 33.34 O ATOM 1461 CB GLU A 90 -16.635 5.208 -10.990 1.00 23.23 C ATOM 1462 CG GLU A 90 -18.086 4.668 -10.903 1.00 61.42 C ATOM 1463 CD GLU A 90 -18.190 3.183 -10.522 1.00 53.34 C ATOM 1464 OE1 GLU A 90 -17.852 2.323 -11.363 1.00 42.02 O ATOM 1465 OE2 GLU A 90 -18.605 2.864 -9.391 1.00 32.14 O ATOM 0 H GLU A 90 -14.689 6.653 -10.816 1.00 51.32 H new ATOM 0 HA GLU A 90 -16.614 5.747 -8.885 1.00 63.33 H new ATOM 0 HB2 GLU A 90 -16.656 6.160 -11.520 1.00 23.23 H new ATOM 0 HB3 GLU A 90 -16.050 4.518 -11.598 1.00 23.23 H new ATOM 0 HG2 GLU A 90 -18.637 5.258 -10.170 1.00 61.42 H new ATOM 0 HG3 GLU A 90 -18.575 4.818 -11.866 1.00 61.42 H new ATOM 1472 N ALA A 91 -14.059 3.741 -9.633 1.00 4.23 N ATOM 1473 CA ALA A 91 -13.277 2.563 -9.186 1.00 21.45 C ATOM 1474 C ALA A 91 -12.592 2.834 -7.840 1.00 41.45 C ATOM 1475 O ALA A 91 -12.429 1.911 -7.023 1.00 42.01 O ATOM 1476 CB ALA A 91 -12.226 2.175 -10.238 1.00 1.44 C ATOM 0 H ALA A 91 -13.624 4.251 -10.402 1.00 4.23 H new ATOM 0 HA ALA A 91 -13.973 1.734 -9.060 1.00 21.45 H new ATOM 0 HB1 ALA A 91 -11.664 1.309 -9.889 1.00 1.44 H new ATOM 0 HB2 ALA A 91 -12.724 1.931 -11.177 1.00 1.44 H new ATOM 0 HB3 ALA A 91 -11.544 3.010 -10.396 1.00 1.44 H new ATOM 1482 N LEU A 92 -12.177 4.109 -7.636 1.00 60.23 N ATOM 1483 CA LEU A 92 -11.614 4.584 -6.362 1.00 71.02 C ATOM 1484 C LEU A 92 -12.591 4.304 -5.207 1.00 72.53 C ATOM 1485 O LEU A 92 -12.188 3.739 -4.191 1.00 13.40 O ATOM 1486 CB LEU A 92 -11.277 6.111 -6.422 1.00 73.10 C ATOM 1487 CG LEU A 92 -10.029 6.528 -7.267 1.00 22.34 C ATOM 1488 CD1 LEU A 92 -9.820 8.061 -7.266 1.00 75.31 C ATOM 1489 CD2 LEU A 92 -8.767 5.810 -6.767 1.00 73.51 C ATOM 0 H LEU A 92 -12.226 4.831 -8.354 1.00 60.23 H new ATOM 0 HA LEU A 92 -10.687 4.039 -6.185 1.00 71.02 H new ATOM 0 HB2 LEU A 92 -12.146 6.635 -6.820 1.00 73.10 H new ATOM 0 HB3 LEU A 92 -11.130 6.466 -5.402 1.00 73.10 H new ATOM 0 HG LEU A 92 -10.218 6.223 -8.296 1.00 22.34 H new ATOM 0 HD11 LEU A 92 -8.943 8.309 -7.864 1.00 75.31 H new ATOM 0 HD12 LEU A 92 -10.698 8.548 -7.690 1.00 75.31 H new ATOM 0 HD13 LEU A 92 -9.671 8.407 -6.243 1.00 75.31 H new ATOM 0 HD21 LEU A 92 -7.912 6.116 -7.370 1.00 73.51 H new ATOM 0 HD22 LEU A 92 -8.588 6.072 -5.724 1.00 73.51 H new ATOM 0 HD23 LEU A 92 -8.904 4.732 -6.852 1.00 73.51 H new ATOM 1501 N ARG A 93 -13.882 4.657 -5.417 1.00 31.14 N ATOM 1502 CA ARG A 93 -14.936 4.525 -4.396 1.00 65.05 C ATOM 1503 C ARG A 93 -15.233 3.048 -4.059 1.00 54.02 C ATOM 1504 O ARG A 93 -15.483 2.723 -2.886 1.00 53.22 O ATOM 1505 CB ARG A 93 -16.245 5.227 -4.850 1.00 51.02 C ATOM 1506 CG ARG A 93 -17.335 5.266 -3.750 1.00 41.21 C ATOM 1507 CD ARG A 93 -18.630 5.965 -4.177 1.00 34.25 C ATOM 1508 NE ARG A 93 -19.629 5.952 -3.090 1.00 4.15 N ATOM 1509 CZ ARG A 93 -20.414 6.978 -2.724 1.00 72.01 C ATOM 1510 NH1 ARG A 93 -20.350 8.159 -3.347 1.00 45.25 N ATOM 1511 NH2 ARG A 93 -21.257 6.821 -1.720 1.00 2.33 N ATOM 0 H ARG A 93 -14.217 5.041 -6.301 1.00 31.14 H new ATOM 0 HA ARG A 93 -14.561 5.012 -3.496 1.00 65.05 H new ATOM 0 HB2 ARG A 93 -16.014 6.247 -5.158 1.00 51.02 H new ATOM 0 HB3 ARG A 93 -16.641 4.711 -5.725 1.00 51.02 H new ATOM 0 HG2 ARG A 93 -17.568 4.245 -3.448 1.00 41.21 H new ATOM 0 HG3 ARG A 93 -16.933 5.773 -2.873 1.00 41.21 H new ATOM 0 HD2 ARG A 93 -18.413 6.994 -4.463 1.00 34.25 H new ATOM 0 HD3 ARG A 93 -19.040 5.470 -5.057 1.00 34.25 H new ATOM 0 HE ARG A 93 -19.733 5.082 -2.568 1.00 4.15 H new ATOM 0 HH11 ARG A 93 -19.695 8.294 -4.117 1.00 45.25 H new ATOM 0 HH12 ARG A 93 -20.956 8.925 -3.052 1.00 45.25 H new ATOM 0 HH21 ARG A 93 -21.307 5.927 -1.231 1.00 2.33 H new ATOM 0 HH22 ARG A 93 -21.858 7.594 -1.433 1.00 2.33 H new ATOM 1525 N LYS A 94 -15.210 2.169 -5.093 1.00 13.12 N ATOM 1526 CA LYS A 94 -15.497 0.724 -4.925 1.00 51.34 C ATOM 1527 C LYS A 94 -14.544 0.095 -3.896 1.00 21.44 C ATOM 1528 O LYS A 94 -14.989 -0.492 -2.904 1.00 75.31 O ATOM 1529 CB LYS A 94 -15.392 -0.037 -6.284 1.00 64.11 C ATOM 1530 CG LYS A 94 -16.627 0.084 -7.211 1.00 63.04 C ATOM 1531 CD LYS A 94 -16.504 -0.851 -8.444 1.00 72.45 C ATOM 1532 CE LYS A 94 -17.847 -1.115 -9.150 1.00 75.11 C ATOM 1533 NZ LYS A 94 -18.446 0.114 -9.717 1.00 2.54 N ATOM 0 H LYS A 94 -14.995 2.438 -6.053 1.00 13.12 H new ATOM 0 HA LYS A 94 -16.520 0.634 -4.560 1.00 51.34 H new ATOM 0 HB2 LYS A 94 -14.518 0.332 -6.821 1.00 64.11 H new ATOM 0 HB3 LYS A 94 -15.216 -1.093 -6.077 1.00 64.11 H new ATOM 0 HG2 LYS A 94 -17.529 -0.165 -6.652 1.00 63.04 H new ATOM 0 HG3 LYS A 94 -16.734 1.116 -7.545 1.00 63.04 H new ATOM 0 HD2 LYS A 94 -15.808 -0.409 -9.157 1.00 72.45 H new ATOM 0 HD3 LYS A 94 -16.075 -1.802 -8.128 1.00 72.45 H new ATOM 0 HE2 LYS A 94 -17.696 -1.842 -9.948 1.00 75.11 H new ATOM 0 HE3 LYS A 94 -18.544 -1.560 -8.440 1.00 75.11 H new ATOM 0 HZ1 LYS A 94 -19.412 -0.090 -10.044 1.00 2.54 H new ATOM 0 HZ2 LYS A 94 -18.476 0.854 -8.987 1.00 2.54 H new ATOM 0 HZ3 LYS A 94 -17.871 0.442 -10.519 1.00 2.54 H new ATOM 1547 N GLY A 95 -13.239 0.294 -4.116 1.00 12.44 N ATOM 1548 CA GLY A 95 -12.219 -0.235 -3.223 1.00 70.20 C ATOM 1549 C GLY A 95 -12.157 0.524 -1.902 1.00 63.35 C ATOM 1550 O GLY A 95 -11.795 -0.056 -0.873 1.00 21.14 O ATOM 0 H GLY A 95 -12.871 0.820 -4.909 1.00 12.44 H new ATOM 0 HA2 GLY A 95 -12.422 -1.288 -3.026 1.00 70.20 H new ATOM 0 HA3 GLY A 95 -11.247 -0.185 -3.714 1.00 70.20 H new ATOM 1554 N TYR A 96 -12.494 1.839 -1.952 1.00 42.11 N ATOM 1555 CA TYR A 96 -12.397 2.739 -0.795 1.00 31.53 C ATOM 1556 C TYR A 96 -13.283 2.245 0.338 1.00 1.03 C ATOM 1557 O TYR A 96 -12.777 1.910 1.400 1.00 74.01 O ATOM 1558 CB TYR A 96 -12.785 4.192 -1.191 1.00 73.24 C ATOM 1559 CG TYR A 96 -12.781 5.225 -0.039 1.00 43.34 C ATOM 1560 CD1 TYR A 96 -11.587 5.600 0.586 1.00 31.32 C ATOM 1561 CD2 TYR A 96 -13.962 5.836 0.408 1.00 31.44 C ATOM 1562 CE1 TYR A 96 -11.570 6.520 1.606 1.00 73.42 C ATOM 1563 CE2 TYR A 96 -13.940 6.764 1.433 1.00 11.34 C ATOM 1564 CZ TYR A 96 -12.736 7.107 2.019 1.00 4.40 C ATOM 1565 OH TYR A 96 -12.701 8.024 3.047 1.00 32.04 O ATOM 0 H TYR A 96 -12.838 2.295 -2.797 1.00 42.11 H new ATOM 0 HA TYR A 96 -11.362 2.743 -0.453 1.00 31.53 H new ATOM 0 HB2 TYR A 96 -12.097 4.534 -1.964 1.00 73.24 H new ATOM 0 HB3 TYR A 96 -13.780 4.174 -1.635 1.00 73.24 H new ATOM 0 HD1 TYR A 96 -10.658 5.156 0.259 1.00 31.32 H new ATOM 0 HD2 TYR A 96 -14.903 5.578 -0.055 1.00 31.44 H new ATOM 0 HE1 TYR A 96 -10.636 6.780 2.082 1.00 73.42 H new ATOM 0 HE2 TYR A 96 -14.859 7.218 1.774 1.00 11.34 H new ATOM 0 HH TYR A 96 -13.435 8.664 2.939 1.00 32.04 H new ATOM 1575 N GLU A 97 -14.592 2.125 0.061 1.00 63.23 N ATOM 1576 CA GLU A 97 -15.590 1.781 1.085 1.00 24.20 C ATOM 1577 C GLU A 97 -15.495 0.292 1.479 1.00 75.53 C ATOM 1578 O GLU A 97 -15.748 -0.060 2.634 1.00 2.23 O ATOM 1579 CB GLU A 97 -17.020 2.130 0.593 1.00 64.35 C ATOM 1580 CG GLU A 97 -17.186 3.566 0.046 1.00 41.32 C ATOM 1581 CD GLU A 97 -18.637 3.890 -0.355 1.00 55.15 C ATOM 1582 OE1 GLU A 97 -19.102 3.379 -1.394 1.00 42.34 O ATOM 1583 OE2 GLU A 97 -19.327 4.641 0.366 1.00 31.44 O ATOM 0 H GLU A 97 -14.985 2.262 -0.870 1.00 63.23 H new ATOM 0 HA GLU A 97 -15.377 2.375 1.974 1.00 24.20 H new ATOM 0 HB2 GLU A 97 -17.302 1.424 -0.188 1.00 64.35 H new ATOM 0 HB3 GLU A 97 -17.718 1.988 1.418 1.00 64.35 H new ATOM 0 HG2 GLU A 97 -16.856 4.278 0.802 1.00 41.32 H new ATOM 0 HG3 GLU A 97 -16.537 3.697 -0.820 1.00 41.32 H new ATOM 1590 N ASP A 98 -15.122 -0.567 0.506 1.00 21.33 N ATOM 1591 CA ASP A 98 -15.002 -2.028 0.723 1.00 10.12 C ATOM 1592 C ASP A 98 -13.856 -2.372 1.710 1.00 54.33 C ATOM 1593 O ASP A 98 -13.994 -3.263 2.555 1.00 11.12 O ATOM 1594 CB ASP A 98 -14.790 -2.761 -0.628 1.00 1.23 C ATOM 1595 CG ASP A 98 -14.764 -4.296 -0.497 1.00 12.31 C ATOM 1596 OD1 ASP A 98 -15.842 -4.900 -0.296 1.00 4.21 O ATOM 1597 OD2 ASP A 98 -13.675 -4.899 -0.562 1.00 71.43 O ATOM 0 H ASP A 98 -14.897 -0.273 -0.444 1.00 21.33 H new ATOM 0 HA ASP A 98 -15.935 -2.371 1.170 1.00 10.12 H new ATOM 0 HB2 ASP A 98 -15.586 -2.476 -1.316 1.00 1.23 H new ATOM 0 HB3 ASP A 98 -13.852 -2.426 -1.071 1.00 1.23 H new ATOM 1602 N LYS A 99 -12.712 -1.691 1.562 1.00 73.54 N ATOM 1603 CA LYS A 99 -11.547 -1.860 2.460 1.00 40.02 C ATOM 1604 C LYS A 99 -11.726 -1.049 3.769 1.00 72.03 C ATOM 1605 O LYS A 99 -11.336 -1.510 4.844 1.00 61.44 O ATOM 1606 CB LYS A 99 -10.214 -1.496 1.718 1.00 30.13 C ATOM 1607 CG LYS A 99 -9.645 -2.610 0.788 1.00 13.42 C ATOM 1608 CD LYS A 99 -10.643 -3.091 -0.301 1.00 41.31 C ATOM 1609 CE LYS A 99 -10.099 -4.221 -1.182 1.00 24.41 C ATOM 1610 NZ LYS A 99 -11.170 -4.814 -2.018 1.00 63.32 N ATOM 0 H LYS A 99 -12.562 -1.007 0.820 1.00 73.54 H new ATOM 0 HA LYS A 99 -11.484 -2.910 2.744 1.00 40.02 H new ATOM 0 HB2 LYS A 99 -10.382 -0.599 1.122 1.00 30.13 H new ATOM 0 HB3 LYS A 99 -9.459 -1.247 2.463 1.00 30.13 H new ATOM 0 HG2 LYS A 99 -8.743 -2.238 0.302 1.00 13.42 H new ATOM 0 HG3 LYS A 99 -9.349 -3.463 1.398 1.00 13.42 H new ATOM 0 HD2 LYS A 99 -11.559 -3.429 0.183 1.00 41.31 H new ATOM 0 HD3 LYS A 99 -10.910 -2.245 -0.935 1.00 41.31 H new ATOM 0 HE2 LYS A 99 -9.306 -3.836 -1.823 1.00 24.41 H new ATOM 0 HE3 LYS A 99 -9.655 -4.993 -0.554 1.00 24.41 H new ATOM 0 HZ1 LYS A 99 -11.040 -5.844 -2.070 1.00 63.32 H new ATOM 0 HZ2 LYS A 99 -12.097 -4.603 -1.596 1.00 63.32 H new ATOM 0 HZ3 LYS A 99 -11.126 -4.411 -2.976 1.00 63.32 H new ATOM 1624 N LYS A 100 -12.342 0.144 3.673 1.00 30.21 N ATOM 1625 CA LYS A 100 -12.472 1.083 4.821 1.00 41.11 C ATOM 1626 C LYS A 100 -13.457 0.557 5.884 1.00 15.15 C ATOM 1627 O LYS A 100 -13.274 0.812 7.084 1.00 70.41 O ATOM 1628 CB LYS A 100 -12.906 2.493 4.338 1.00 64.32 C ATOM 1629 CG LYS A 100 -12.930 3.575 5.436 1.00 14.00 C ATOM 1630 CD LYS A 100 -13.444 4.936 4.918 1.00 0.31 C ATOM 1631 CE LYS A 100 -13.472 6.001 6.026 1.00 52.12 C ATOM 1632 NZ LYS A 100 -13.933 7.329 5.548 1.00 12.34 N ATOM 0 H LYS A 100 -12.762 0.489 2.810 1.00 30.21 H new ATOM 0 HA LYS A 100 -11.489 1.158 5.286 1.00 41.11 H new ATOM 0 HB2 LYS A 100 -12.229 2.814 3.546 1.00 64.32 H new ATOM 0 HB3 LYS A 100 -13.900 2.420 3.898 1.00 64.32 H new ATOM 0 HG2 LYS A 100 -13.564 3.240 6.257 1.00 14.00 H new ATOM 0 HG3 LYS A 100 -11.925 3.700 5.840 1.00 14.00 H new ATOM 0 HD2 LYS A 100 -12.806 5.278 4.103 1.00 0.31 H new ATOM 0 HD3 LYS A 100 -14.447 4.813 4.508 1.00 0.31 H new ATOM 0 HE2 LYS A 100 -14.127 5.663 6.829 1.00 52.12 H new ATOM 0 HE3 LYS A 100 -12.473 6.101 6.450 1.00 52.12 H new ATOM 0 HZ1 LYS A 100 -13.679 8.057 6.246 1.00 12.34 H new ATOM 0 HZ2 LYS A 100 -13.478 7.548 4.639 1.00 12.34 H new ATOM 0 HZ3 LYS A 100 -14.965 7.314 5.423 1.00 12.34 H new ATOM 1646 N LYS A 101 -14.495 -0.191 5.438 1.00 44.44 N ATOM 1647 CA LYS A 101 -15.486 -0.814 6.350 1.00 52.50 C ATOM 1648 C LYS A 101 -14.818 -1.889 7.240 1.00 20.35 C ATOM 1649 O LYS A 101 -15.317 -2.221 8.318 1.00 41.24 O ATOM 1650 CB LYS A 101 -16.663 -1.438 5.544 1.00 54.31 C ATOM 1651 CG LYS A 101 -16.290 -2.695 4.721 1.00 62.54 C ATOM 1652 CD LYS A 101 -17.448 -3.204 3.828 1.00 33.22 C ATOM 1653 CE LYS A 101 -17.051 -4.440 2.995 1.00 23.15 C ATOM 1654 NZ LYS A 101 -18.102 -4.834 2.017 1.00 73.31 N ATOM 0 H LYS A 101 -14.668 -0.378 4.450 1.00 44.44 H new ATOM 0 HA LYS A 101 -15.884 -0.031 6.995 1.00 52.50 H new ATOM 0 HB2 LYS A 101 -17.462 -1.699 6.238 1.00 54.31 H new ATOM 0 HB3 LYS A 101 -17.062 -0.683 4.867 1.00 54.31 H new ATOM 0 HG2 LYS A 101 -15.428 -2.468 4.093 1.00 62.54 H new ATOM 0 HG3 LYS A 101 -15.988 -3.491 5.402 1.00 62.54 H new ATOM 0 HD2 LYS A 101 -18.304 -3.452 4.455 1.00 33.22 H new ATOM 0 HD3 LYS A 101 -17.765 -2.405 3.158 1.00 33.22 H new ATOM 0 HE2 LYS A 101 -16.124 -4.231 2.462 1.00 23.15 H new ATOM 0 HE3 LYS A 101 -16.852 -5.276 3.665 1.00 23.15 H new ATOM 0 HZ1 LYS A 101 -18.538 -5.729 2.317 1.00 73.31 H new ATOM 0 HZ2 LYS A 101 -18.830 -4.093 1.972 1.00 73.31 H new ATOM 0 HZ3 LYS A 101 -17.674 -4.956 1.077 1.00 73.31 H new ATOM 1668 N LYS A 102 -13.673 -2.416 6.763 1.00 2.23 N ATOM 1669 CA LYS A 102 -12.857 -3.406 7.486 1.00 74.11 C ATOM 1670 C LYS A 102 -11.869 -2.717 8.463 1.00 13.31 C ATOM 1671 O LYS A 102 -11.024 -3.383 9.071 1.00 60.32 O ATOM 1672 CB LYS A 102 -12.100 -4.286 6.457 1.00 5.12 C ATOM 1673 CG LYS A 102 -13.017 -5.031 5.456 1.00 43.55 C ATOM 1674 CD LYS A 102 -12.235 -5.878 4.420 1.00 52.21 C ATOM 1675 CE LYS A 102 -11.344 -6.954 5.072 1.00 41.54 C ATOM 1676 NZ LYS A 102 -12.108 -7.848 5.982 1.00 53.23 N ATOM 0 H LYS A 102 -13.286 -2.162 5.854 1.00 2.23 H new ATOM 0 HA LYS A 102 -13.512 -4.036 8.088 1.00 74.11 H new ATOM 0 HB2 LYS A 102 -11.408 -3.656 5.898 1.00 5.12 H new ATOM 0 HB3 LYS A 102 -11.500 -5.019 6.996 1.00 5.12 H new ATOM 0 HG2 LYS A 102 -13.694 -5.681 6.009 1.00 43.55 H new ATOM 0 HG3 LYS A 102 -13.634 -4.303 4.929 1.00 43.55 H new ATOM 0 HD2 LYS A 102 -12.942 -6.360 3.745 1.00 52.21 H new ATOM 0 HD3 LYS A 102 -11.614 -5.218 3.814 1.00 52.21 H new ATOM 0 HE2 LYS A 102 -10.871 -7.552 4.292 1.00 41.54 H new ATOM 0 HE3 LYS A 102 -10.544 -6.469 5.631 1.00 41.54 H new ATOM 0 HZ1 LYS A 102 -11.472 -8.575 6.369 1.00 53.23 H new ATOM 0 HZ2 LYS A 102 -12.510 -7.289 6.761 1.00 53.23 H new ATOM 0 HZ3 LYS A 102 -12.877 -8.307 5.453 1.00 53.23 H new ATOM 1690 N GLY A 103 -11.996 -1.387 8.605 1.00 33.13 N ATOM 1691 CA GLY A 103 -11.215 -0.608 9.566 1.00 63.24 C ATOM 1692 C GLY A 103 -9.835 -0.226 9.066 1.00 71.14 C ATOM 1693 O GLY A 103 -8.908 -0.049 9.867 1.00 71.03 O ATOM 0 H GLY A 103 -12.645 -0.826 8.054 1.00 33.13 H new ATOM 0 HA2 GLY A 103 -11.765 0.299 9.816 1.00 63.24 H new ATOM 0 HA3 GLY A 103 -11.112 -1.182 10.487 1.00 63.24 H new ATOM 1697 N TYR A 104 -9.689 -0.104 7.735 1.00 15.24 N ATOM 1698 CA TYR A 104 -8.419 0.295 7.092 1.00 43.30 C ATOM 1699 C TYR A 104 -8.476 1.780 6.709 1.00 55.21 C ATOM 1700 O TYR A 104 -9.534 2.276 6.297 1.00 74.03 O ATOM 1701 CB TYR A 104 -8.136 -0.569 5.826 1.00 31.53 C ATOM 1702 CG TYR A 104 -8.202 -2.100 6.035 1.00 74.23 C ATOM 1703 CD1 TYR A 104 -7.852 -2.695 7.251 1.00 43.53 C ATOM 1704 CD2 TYR A 104 -8.631 -2.947 5.009 1.00 33.52 C ATOM 1705 CE1 TYR A 104 -7.926 -4.058 7.430 1.00 13.52 C ATOM 1706 CE2 TYR A 104 -8.712 -4.309 5.191 1.00 31.44 C ATOM 1707 CZ TYR A 104 -8.356 -4.859 6.403 1.00 21.44 C ATOM 1708 OH TYR A 104 -8.439 -6.221 6.589 1.00 31.41 O ATOM 0 H TYR A 104 -10.445 -0.278 7.073 1.00 15.24 H new ATOM 0 HA TYR A 104 -7.609 0.132 7.803 1.00 43.30 H new ATOM 0 HB2 TYR A 104 -8.853 -0.294 5.053 1.00 31.53 H new ATOM 0 HB3 TYR A 104 -7.146 -0.314 5.448 1.00 31.53 H new ATOM 0 HD1 TYR A 104 -7.517 -2.072 8.067 1.00 43.53 H new ATOM 0 HD2 TYR A 104 -8.905 -2.524 4.054 1.00 33.52 H new ATOM 0 HE1 TYR A 104 -7.646 -4.496 8.377 1.00 13.52 H new ATOM 0 HE2 TYR A 104 -9.053 -4.944 4.387 1.00 31.44 H new ATOM 0 HH TYR A 104 -8.632 -6.411 7.531 1.00 31.41 H new ATOM 1718 N ASP A 105 -7.345 2.493 6.856 1.00 72.30 N ATOM 1719 CA ASP A 105 -7.220 3.882 6.374 1.00 31.23 C ATOM 1720 C ASP A 105 -6.961 3.851 4.867 1.00 15.42 C ATOM 1721 O ASP A 105 -5.836 3.605 4.429 1.00 4.43 O ATOM 1722 CB ASP A 105 -6.068 4.629 7.104 1.00 41.54 C ATOM 1723 CG ASP A 105 -6.431 5.031 8.536 1.00 42.23 C ATOM 1724 OD1 ASP A 105 -7.044 6.101 8.718 1.00 42.42 O ATOM 1725 OD2 ASP A 105 -6.124 4.283 9.486 1.00 12.40 O ATOM 0 H ASP A 105 -6.504 2.131 7.305 1.00 72.30 H new ATOM 0 HA ASP A 105 -8.144 4.421 6.586 1.00 31.23 H new ATOM 0 HB2 ASP A 105 -5.184 3.992 7.124 1.00 41.54 H new ATOM 0 HB3 ASP A 105 -5.804 5.522 6.537 1.00 41.54 H new ATOM 1730 N VAL A 106 -8.009 4.094 4.073 1.00 64.33 N ATOM 1731 CA VAL A 106 -7.919 4.028 2.614 1.00 44.20 C ATOM 1732 C VAL A 106 -7.827 5.446 2.048 1.00 24.12 C ATOM 1733 O VAL A 106 -8.554 6.338 2.483 1.00 45.22 O ATOM 1734 CB VAL A 106 -9.135 3.259 1.985 1.00 42.05 C ATOM 1735 CG1 VAL A 106 -8.944 3.042 0.461 1.00 52.15 C ATOM 1736 CG2 VAL A 106 -9.362 1.913 2.707 1.00 4.22 C ATOM 0 H VAL A 106 -8.936 4.340 4.422 1.00 64.33 H new ATOM 0 HA VAL A 106 -7.021 3.469 2.352 1.00 44.20 H new ATOM 0 HB VAL A 106 -10.023 3.876 2.120 1.00 42.05 H new ATOM 0 HG11 VAL A 106 -9.804 2.507 0.059 1.00 52.15 H new ATOM 0 HG12 VAL A 106 -8.853 4.008 -0.036 1.00 52.15 H new ATOM 0 HG13 VAL A 106 -8.040 2.458 0.287 1.00 52.15 H new ATOM 0 HG21 VAL A 106 -10.209 1.396 2.256 1.00 4.22 H new ATOM 0 HG22 VAL A 106 -8.469 1.295 2.614 1.00 4.22 H new ATOM 0 HG23 VAL A 106 -9.569 2.096 3.761 1.00 4.22 H new ATOM 1746 N TYR A 107 -6.889 5.649 1.120 1.00 43.41 N ATOM 1747 CA TYR A 107 -6.715 6.897 0.384 1.00 51.34 C ATOM 1748 C TYR A 107 -6.984 6.636 -1.094 1.00 3.31 C ATOM 1749 O TYR A 107 -6.561 5.617 -1.642 1.00 24.01 O ATOM 1750 CB TYR A 107 -5.282 7.447 0.589 1.00 73.32 C ATOM 1751 CG TYR A 107 -4.953 7.726 2.062 1.00 43.23 C ATOM 1752 CD1 TYR A 107 -5.561 8.787 2.737 1.00 33.32 C ATOM 1753 CD2 TYR A 107 -4.073 6.920 2.780 1.00 61.30 C ATOM 1754 CE1 TYR A 107 -5.299 9.028 4.070 1.00 25.00 C ATOM 1755 CE2 TYR A 107 -3.803 7.160 4.109 1.00 14.45 C ATOM 1756 CZ TYR A 107 -4.419 8.209 4.752 1.00 61.21 C ATOM 1757 OH TYR A 107 -4.147 8.447 6.077 1.00 15.54 O ATOM 0 H TYR A 107 -6.215 4.931 0.855 1.00 43.41 H new ATOM 0 HA TYR A 107 -7.416 7.645 0.754 1.00 51.34 H new ATOM 0 HB2 TYR A 107 -4.563 6.731 0.191 1.00 73.32 H new ATOM 0 HB3 TYR A 107 -5.166 8.367 0.016 1.00 73.32 H new ATOM 0 HD1 TYR A 107 -6.248 9.430 2.206 1.00 33.32 H new ATOM 0 HD2 TYR A 107 -3.592 6.090 2.284 1.00 61.30 H new ATOM 0 HE1 TYR A 107 -5.779 9.852 4.578 1.00 25.00 H new ATOM 0 HE2 TYR A 107 -3.111 6.527 4.644 1.00 14.45 H new ATOM 0 HH TYR A 107 -3.510 7.779 6.405 1.00 15.54 H new ATOM 1767 N THR A 108 -7.706 7.549 -1.722 1.00 64.34 N ATOM 1768 CA THR A 108 -8.002 7.509 -3.150 1.00 40.25 C ATOM 1769 C THR A 108 -7.174 8.592 -3.849 1.00 72.21 C ATOM 1770 O THR A 108 -7.069 9.721 -3.356 1.00 73.42 O ATOM 1771 CB THR A 108 -9.527 7.742 -3.378 1.00 64.41 C ATOM 1772 OG1 THR A 108 -9.928 8.978 -2.757 1.00 2.24 O ATOM 1773 CG2 THR A 108 -10.374 6.585 -2.806 1.00 44.23 C ATOM 0 H THR A 108 -8.112 8.355 -1.247 1.00 64.34 H new ATOM 0 HA THR A 108 -7.743 6.535 -3.565 1.00 40.25 H new ATOM 0 HB THR A 108 -9.698 7.788 -4.453 1.00 64.41 H new ATOM 0 HG1 THR A 108 -10.886 9.122 -2.904 1.00 2.24 H new ATOM 0 HG21 THR A 108 -11.431 6.785 -2.985 1.00 44.23 H new ATOM 0 HG22 THR A 108 -10.093 5.652 -3.295 1.00 44.23 H new ATOM 0 HG23 THR A 108 -10.197 6.500 -1.734 1.00 44.23 H new ATOM 1781 N SER A 109 -6.573 8.242 -4.983 1.00 5.35 N ATOM 1782 CA SER A 109 -5.700 9.143 -5.736 1.00 61.02 C ATOM 1783 C SER A 109 -5.947 8.966 -7.233 1.00 11.25 C ATOM 1784 O SER A 109 -6.058 7.837 -7.719 1.00 21.42 O ATOM 1785 CB SER A 109 -4.216 8.879 -5.373 1.00 10.35 C ATOM 1786 OG SER A 109 -3.878 7.510 -5.470 1.00 4.15 O ATOM 0 H SER A 109 -6.677 7.321 -5.409 1.00 5.35 H new ATOM 0 HA SER A 109 -5.928 10.176 -5.471 1.00 61.02 H new ATOM 0 HB2 SER A 109 -3.573 9.458 -6.036 1.00 10.35 H new ATOM 0 HB3 SER A 109 -4.024 9.228 -4.358 1.00 10.35 H new ATOM 0 HG SER A 109 -4.686 6.965 -5.365 1.00 4.15 H new ATOM 1792 N ARG A 110 -6.076 10.101 -7.936 1.00 35.44 N ATOM 1793 CA ARG A 110 -6.230 10.153 -9.401 1.00 64.03 C ATOM 1794 C ARG A 110 -5.012 9.549 -10.117 1.00 32.44 C ATOM 1795 O ARG A 110 -5.153 8.796 -11.092 1.00 51.43 O ATOM 1796 CB ARG A 110 -6.442 11.639 -9.864 1.00 12.30 C ATOM 1797 CG ARG A 110 -7.914 12.062 -10.051 1.00 44.43 C ATOM 1798 CD ARG A 110 -8.570 11.303 -11.220 1.00 33.31 C ATOM 1799 NE ARG A 110 -9.848 11.905 -11.631 1.00 33.21 N ATOM 1800 CZ ARG A 110 -10.339 11.892 -12.877 1.00 70.13 C ATOM 1801 NH1 ARG A 110 -9.667 11.317 -13.873 1.00 64.51 N ATOM 1802 NH2 ARG A 110 -11.509 12.439 -13.118 1.00 73.01 N ATOM 0 H ARG A 110 -6.077 11.022 -7.499 1.00 35.44 H new ATOM 0 HA ARG A 110 -7.104 9.559 -9.668 1.00 64.03 H new ATOM 0 HB2 ARG A 110 -5.980 12.301 -9.132 1.00 12.30 H new ATOM 0 HB3 ARG A 110 -5.915 11.789 -10.806 1.00 12.30 H new ATOM 0 HG2 ARG A 110 -8.469 11.870 -9.133 1.00 44.43 H new ATOM 0 HG3 ARG A 110 -7.966 13.135 -10.237 1.00 44.43 H new ATOM 0 HD2 ARG A 110 -7.888 11.290 -12.070 1.00 33.31 H new ATOM 0 HD3 ARG A 110 -8.737 10.266 -10.929 1.00 33.31 H new ATOM 0 HE ARG A 110 -10.403 12.368 -10.911 1.00 33.21 H new ATOM 0 HH11 ARG A 110 -8.764 10.878 -13.692 1.00 64.51 H new ATOM 0 HH12 ARG A 110 -10.055 11.316 -14.816 1.00 64.51 H new ATOM 0 HH21 ARG A 110 -12.037 12.870 -12.359 1.00 73.01 H new ATOM 0 HH22 ARG A 110 -11.890 12.433 -14.064 1.00 73.01 H new ATOM 1816 N ASN A 111 -3.826 9.886 -9.604 1.00 40.35 N ATOM 1817 CA ASN A 111 -2.555 9.639 -10.289 1.00 25.00 C ATOM 1818 C ASN A 111 -1.406 9.583 -9.274 1.00 2.41 C ATOM 1819 O ASN A 111 -1.620 9.765 -8.068 1.00 23.44 O ATOM 1820 CB ASN A 111 -2.319 10.746 -11.351 1.00 1.34 C ATOM 1821 CG ASN A 111 -2.195 12.160 -10.769 1.00 42.01 C ATOM 1822 OD1 ASN A 111 -2.739 12.474 -9.717 1.00 44.03 O ATOM 1823 ND2 ASN A 111 -1.488 13.028 -11.458 1.00 52.24 N ATOM 0 H ASN A 111 -3.720 10.340 -8.697 1.00 40.35 H new ATOM 0 HA ASN A 111 -2.593 8.675 -10.796 1.00 25.00 H new ATOM 0 HB2 ASN A 111 -1.411 10.513 -11.907 1.00 1.34 H new ATOM 0 HB3 ASN A 111 -3.142 10.730 -12.065 1.00 1.34 H new ATOM 0 HD21 ASN A 111 -1.384 13.984 -11.119 1.00 52.24 H new ATOM 0 HD22 ASN A 111 -1.044 12.745 -12.331 1.00 52.24 H new ATOM 1830 N GLU A 112 -0.186 9.346 -9.789 1.00 4.30 N ATOM 1831 CA GLU A 112 1.023 9.117 -8.977 1.00 31.04 C ATOM 1832 C GLU A 112 1.447 10.377 -8.198 1.00 44.15 C ATOM 1833 O GLU A 112 2.080 10.249 -7.162 1.00 20.04 O ATOM 1834 CB GLU A 112 2.168 8.558 -9.881 1.00 51.21 C ATOM 1835 CG GLU A 112 3.450 8.074 -9.138 1.00 13.40 C ATOM 1836 CD GLU A 112 4.494 9.162 -8.837 1.00 55.12 C ATOM 1837 OE1 GLU A 112 4.731 10.025 -9.705 1.00 71.33 O ATOM 1838 OE2 GLU A 112 5.074 9.170 -7.726 1.00 54.41 O ATOM 0 H GLU A 112 -0.010 9.308 -10.793 1.00 4.30 H new ATOM 0 HA GLU A 112 0.794 8.369 -8.218 1.00 31.04 H new ATOM 0 HB2 GLU A 112 1.772 7.725 -10.461 1.00 51.21 H new ATOM 0 HB3 GLU A 112 2.455 9.333 -10.591 1.00 51.21 H new ATOM 0 HG2 GLU A 112 3.151 7.613 -8.197 1.00 13.40 H new ATOM 0 HG3 GLU A 112 3.924 7.297 -9.737 1.00 13.40 H new ATOM 1845 N ASP A 113 1.110 11.584 -8.709 1.00 72.25 N ATOM 1846 CA ASP A 113 1.373 12.858 -7.985 1.00 73.05 C ATOM 1847 C ASP A 113 0.631 12.869 -6.632 1.00 30.24 C ATOM 1848 O ASP A 113 1.225 13.146 -5.587 1.00 31.24 O ATOM 1849 CB ASP A 113 0.934 14.090 -8.821 1.00 52.11 C ATOM 1850 CG ASP A 113 1.717 14.238 -10.131 1.00 12.41 C ATOM 1851 OD1 ASP A 113 2.771 14.901 -10.151 1.00 34.33 O ATOM 1852 OD2 ASP A 113 1.286 13.684 -11.157 1.00 33.12 O ATOM 0 H ASP A 113 0.658 11.706 -9.615 1.00 72.25 H new ATOM 0 HA ASP A 113 2.448 12.921 -7.816 1.00 73.05 H new ATOM 0 HB2 ASP A 113 -0.129 14.008 -9.047 1.00 52.11 H new ATOM 0 HB3 ASP A 113 1.064 14.992 -8.223 1.00 52.11 H new ATOM 1857 N GLU A 114 -0.668 12.528 -6.683 1.00 72.21 N ATOM 1858 CA GLU A 114 -1.541 12.463 -5.493 1.00 73.42 C ATOM 1859 C GLU A 114 -1.151 11.289 -4.587 1.00 53.03 C ATOM 1860 O GLU A 114 -1.136 11.418 -3.360 1.00 44.10 O ATOM 1861 CB GLU A 114 -3.017 12.320 -5.933 1.00 11.21 C ATOM 1862 CG GLU A 114 -3.492 13.441 -6.864 1.00 35.50 C ATOM 1863 CD GLU A 114 -3.631 14.805 -6.171 1.00 64.34 C ATOM 1864 OE1 GLU A 114 -4.688 15.051 -5.543 1.00 72.21 O ATOM 1865 OE2 GLU A 114 -2.692 15.631 -6.243 1.00 5.51 O ATOM 0 H GLU A 114 -1.146 12.289 -7.552 1.00 72.21 H new ATOM 0 HA GLU A 114 -1.417 13.386 -4.927 1.00 73.42 H new ATOM 0 HB2 GLU A 114 -3.146 11.362 -6.437 1.00 11.21 H new ATOM 0 HB3 GLU A 114 -3.651 12.302 -5.047 1.00 11.21 H new ATOM 0 HG2 GLU A 114 -2.790 13.535 -7.692 1.00 35.50 H new ATOM 0 HG3 GLU A 114 -4.455 13.162 -7.292 1.00 35.50 H new ATOM 1872 N ALA A 115 -0.831 10.154 -5.226 1.00 12.22 N ATOM 1873 CA ALA A 115 -0.436 8.914 -4.541 1.00 52.32 C ATOM 1874 C ALA A 115 0.890 9.092 -3.789 1.00 41.44 C ATOM 1875 O ALA A 115 1.075 8.522 -2.720 1.00 31.54 O ATOM 1876 CB ALA A 115 -0.320 7.782 -5.560 1.00 41.52 C ATOM 0 H ALA A 115 -0.839 10.070 -6.243 1.00 12.22 H new ATOM 0 HA ALA A 115 -1.202 8.665 -3.807 1.00 52.32 H new ATOM 0 HB1 ALA A 115 -0.027 6.863 -5.052 1.00 41.52 H new ATOM 0 HB2 ALA A 115 -1.282 7.634 -6.051 1.00 41.52 H new ATOM 0 HB3 ALA A 115 0.432 8.039 -6.306 1.00 41.52 H new ATOM 1882 N LYS A 116 1.787 9.904 -4.389 1.00 23.22 N ATOM 1883 CA LYS A 116 3.099 10.275 -3.827 1.00 32.22 C ATOM 1884 C LYS A 116 2.920 11.009 -2.499 1.00 30.24 C ATOM 1885 O LYS A 116 3.652 10.748 -1.530 1.00 70.32 O ATOM 1886 CB LYS A 116 3.864 11.170 -4.850 1.00 61.45 C ATOM 1887 CG LYS A 116 5.181 11.801 -4.331 1.00 10.14 C ATOM 1888 CD LYS A 116 5.834 12.839 -5.289 1.00 23.43 C ATOM 1889 CE LYS A 116 6.328 12.255 -6.631 1.00 70.30 C ATOM 1890 NZ LYS A 116 5.222 11.979 -7.577 1.00 40.44 N ATOM 0 H LYS A 116 1.612 10.329 -5.300 1.00 23.22 H new ATOM 0 HA LYS A 116 3.680 9.372 -3.638 1.00 32.22 H new ATOM 0 HB2 LYS A 116 4.092 10.571 -5.732 1.00 61.45 H new ATOM 0 HB3 LYS A 116 3.200 11.972 -5.172 1.00 61.45 H new ATOM 0 HG2 LYS A 116 4.982 12.286 -3.375 1.00 10.14 H new ATOM 0 HG3 LYS A 116 5.899 11.003 -4.141 1.00 10.14 H new ATOM 0 HD2 LYS A 116 5.111 13.628 -5.496 1.00 23.43 H new ATOM 0 HD3 LYS A 116 6.677 13.305 -4.778 1.00 23.43 H new ATOM 0 HE2 LYS A 116 7.028 12.953 -7.091 1.00 70.30 H new ATOM 0 HE3 LYS A 116 6.877 11.332 -6.441 1.00 70.30 H new ATOM 0 HZ1 LYS A 116 5.513 12.248 -8.539 1.00 40.44 H new ATOM 0 HZ2 LYS A 116 4.992 10.965 -7.556 1.00 40.44 H new ATOM 0 HZ3 LYS A 116 4.384 12.530 -7.302 1.00 40.44 H new ATOM 1904 N LYS A 117 1.927 11.926 -2.472 1.00 54.05 N ATOM 1905 CA LYS A 117 1.588 12.699 -1.268 1.00 14.22 C ATOM 1906 C LYS A 117 1.133 11.746 -0.156 1.00 12.53 C ATOM 1907 O LYS A 117 1.731 11.709 0.919 1.00 14.31 O ATOM 1908 CB LYS A 117 0.468 13.722 -1.585 1.00 32.31 C ATOM 1909 CG LYS A 117 0.829 14.715 -2.703 1.00 73.34 C ATOM 1910 CD LYS A 117 -0.357 15.628 -3.094 1.00 3.32 C ATOM 1911 CE LYS A 117 -0.004 16.597 -4.233 1.00 24.33 C ATOM 1912 NZ LYS A 117 -1.139 17.491 -4.588 1.00 41.24 N ATOM 0 H LYS A 117 1.345 12.146 -3.280 1.00 54.05 H new ATOM 0 HA LYS A 117 2.471 13.244 -0.934 1.00 14.22 H new ATOM 0 HB2 LYS A 117 -0.434 13.181 -1.870 1.00 32.31 H new ATOM 0 HB3 LYS A 117 0.232 14.280 -0.679 1.00 32.31 H new ATOM 0 HG2 LYS A 117 1.667 15.333 -2.379 1.00 73.34 H new ATOM 0 HG3 LYS A 117 1.162 14.162 -3.581 1.00 73.34 H new ATOM 0 HD2 LYS A 117 -1.203 15.010 -3.396 1.00 3.32 H new ATOM 0 HD3 LYS A 117 -0.675 16.199 -2.221 1.00 3.32 H new ATOM 0 HE2 LYS A 117 0.854 17.202 -3.939 1.00 24.33 H new ATOM 0 HE3 LYS A 117 0.295 16.027 -5.112 1.00 24.33 H new ATOM 0 HZ1 LYS A 117 -0.781 18.317 -5.109 1.00 41.24 H new ATOM 0 HZ2 LYS A 117 -1.816 16.973 -5.184 1.00 41.24 H new ATOM 0 HZ3 LYS A 117 -1.615 17.809 -3.720 1.00 41.24 H new ATOM 1926 N LYS A 118 0.132 10.911 -0.495 1.00 35.53 N ATOM 1927 CA LYS A 118 -0.519 9.973 0.439 1.00 23.41 C ATOM 1928 C LYS A 118 0.471 8.935 0.989 1.00 51.32 C ATOM 1929 O LYS A 118 0.365 8.515 2.147 1.00 4.14 O ATOM 1930 CB LYS A 118 -1.696 9.246 -0.273 1.00 3.44 C ATOM 1931 CG LYS A 118 -2.800 10.186 -0.801 1.00 62.32 C ATOM 1932 CD LYS A 118 -3.475 11.010 0.326 1.00 21.11 C ATOM 1933 CE LYS A 118 -4.606 11.908 -0.194 1.00 53.41 C ATOM 1934 NZ LYS A 118 -5.291 12.619 0.917 1.00 45.41 N ATOM 0 H LYS A 118 -0.252 10.869 -1.439 1.00 35.53 H new ATOM 0 HA LYS A 118 -0.897 10.555 1.280 1.00 23.41 H new ATOM 0 HB2 LYS A 118 -1.298 8.668 -1.107 1.00 3.44 H new ATOM 0 HB3 LYS A 118 -2.143 8.536 0.423 1.00 3.44 H new ATOM 0 HG2 LYS A 118 -2.371 10.867 -1.536 1.00 62.32 H new ATOM 0 HG3 LYS A 118 -3.557 9.596 -1.317 1.00 62.32 H new ATOM 0 HD2 LYS A 118 -3.873 10.330 1.079 1.00 21.11 H new ATOM 0 HD3 LYS A 118 -2.724 11.627 0.819 1.00 21.11 H new ATOM 0 HE2 LYS A 118 -4.200 12.635 -0.898 1.00 53.41 H new ATOM 0 HE3 LYS A 118 -5.329 11.304 -0.742 1.00 53.41 H new ATOM 0 HZ1 LYS A 118 -6.049 13.217 0.531 1.00 45.41 H new ATOM 0 HZ2 LYS A 118 -5.699 11.924 1.575 1.00 45.41 H new ATOM 0 HZ3 LYS A 118 -4.605 13.214 1.424 1.00 45.41 H new ATOM 1948 N LEU A 119 1.424 8.544 0.131 1.00 41.23 N ATOM 1949 CA LEU A 119 2.400 7.489 0.417 1.00 74.53 C ATOM 1950 C LEU A 119 3.414 7.943 1.460 1.00 1.21 C ATOM 1951 O LEU A 119 3.684 7.227 2.428 1.00 61.25 O ATOM 1952 CB LEU A 119 3.123 7.081 -0.886 1.00 63.11 C ATOM 1953 CG LEU A 119 4.109 5.884 -0.776 1.00 64.22 C ATOM 1954 CD1 LEU A 119 3.413 4.653 -0.178 1.00 42.13 C ATOM 1955 CD2 LEU A 119 4.726 5.560 -2.144 1.00 12.31 C ATOM 0 H LEU A 119 1.538 8.959 -0.794 1.00 41.23 H new ATOM 0 HA LEU A 119 1.867 6.629 0.821 1.00 74.53 H new ATOM 0 HB2 LEU A 119 2.369 6.837 -1.634 1.00 63.11 H new ATOM 0 HB3 LEU A 119 3.673 7.945 -1.258 1.00 63.11 H new ATOM 0 HG LEU A 119 4.916 6.170 -0.102 1.00 64.22 H new ATOM 0 HD11 LEU A 119 4.124 3.829 -0.112 1.00 42.13 H new ATOM 0 HD12 LEU A 119 3.042 4.893 0.818 1.00 42.13 H new ATOM 0 HD13 LEU A 119 2.578 4.361 -0.816 1.00 42.13 H new ATOM 0 HD21 LEU A 119 5.413 4.719 -2.044 1.00 12.31 H new ATOM 0 HD22 LEU A 119 3.935 5.300 -2.848 1.00 12.31 H new ATOM 0 HD23 LEU A 119 5.269 6.430 -2.513 1.00 12.31 H new ATOM 1967 N LYS A 120 3.975 9.137 1.246 1.00 15.31 N ATOM 1968 CA LYS A 120 4.985 9.700 2.151 1.00 41.21 C ATOM 1969 C LYS A 120 4.339 10.196 3.451 1.00 4.41 C ATOM 1970 O LYS A 120 4.981 10.185 4.495 1.00 23.52 O ATOM 1971 CB LYS A 120 5.824 10.780 1.441 1.00 12.43 C ATOM 1972 CG LYS A 120 6.613 10.223 0.227 1.00 2.33 C ATOM 1973 CD LYS A 120 7.746 11.151 -0.253 1.00 54.32 C ATOM 1974 CE LYS A 120 7.250 12.512 -0.756 1.00 74.53 C ATOM 1975 NZ LYS A 120 8.384 13.384 -1.159 1.00 65.32 N ATOM 0 H LYS A 120 3.747 9.735 0.452 1.00 15.31 H new ATOM 0 HA LYS A 120 5.681 8.910 2.434 1.00 41.21 H new ATOM 0 HB2 LYS A 120 5.167 11.582 1.105 1.00 12.43 H new ATOM 0 HB3 LYS A 120 6.523 11.218 2.153 1.00 12.43 H new ATOM 0 HG2 LYS A 120 7.037 9.255 0.493 1.00 2.33 H new ATOM 0 HG3 LYS A 120 5.921 10.052 -0.598 1.00 2.33 H new ATOM 0 HD2 LYS A 120 8.447 11.309 0.566 1.00 54.32 H new ATOM 0 HD3 LYS A 120 8.297 10.656 -1.053 1.00 54.32 H new ATOM 0 HE2 LYS A 120 6.581 12.367 -1.604 1.00 74.53 H new ATOM 0 HE3 LYS A 120 6.671 13.003 0.027 1.00 74.53 H new ATOM 0 HZ1 LYS A 120 8.015 14.271 -1.558 1.00 65.32 H new ATOM 0 HZ2 LYS A 120 8.971 13.596 -0.327 1.00 65.32 H new ATOM 0 HZ3 LYS A 120 8.960 12.896 -1.874 1.00 65.32 H new ATOM 1989 N GLU A 121 3.054 10.612 3.369 1.00 23.13 N ATOM 1990 CA GLU A 121 2.205 10.862 4.555 1.00 61.25 C ATOM 1991 C GLU A 121 2.052 9.574 5.399 1.00 32.13 C ATOM 1992 O GLU A 121 2.020 9.642 6.626 1.00 55.25 O ATOM 1993 CB GLU A 121 0.800 11.382 4.130 1.00 61.33 C ATOM 1994 CG GLU A 121 0.744 12.853 3.661 1.00 53.50 C ATOM 1995 CD GLU A 121 -0.614 13.238 3.034 1.00 3.13 C ATOM 1996 OE1 GLU A 121 -1.658 13.027 3.688 1.00 3.42 O ATOM 1997 OE2 GLU A 121 -0.646 13.748 1.889 1.00 75.24 O ATOM 0 H GLU A 121 2.579 10.783 2.483 1.00 23.13 H new ATOM 0 HA GLU A 121 2.694 11.625 5.160 1.00 61.25 H new ATOM 0 HB2 GLU A 121 0.427 10.749 3.325 1.00 61.33 H new ATOM 0 HB3 GLU A 121 0.118 11.262 4.972 1.00 61.33 H new ATOM 0 HG2 GLU A 121 0.944 13.507 4.510 1.00 53.50 H new ATOM 0 HG3 GLU A 121 1.536 13.026 2.932 1.00 53.50 H new ATOM 2004 N ALA A 122 1.954 8.410 4.712 1.00 34.01 N ATOM 2005 CA ALA A 122 1.864 7.079 5.353 1.00 14.22 C ATOM 2006 C ALA A 122 3.218 6.650 5.973 1.00 23.32 C ATOM 2007 O ALA A 122 3.250 5.892 6.956 1.00 0.22 O ATOM 2008 CB ALA A 122 1.355 6.038 4.348 1.00 24.52 C ATOM 0 H ALA A 122 1.935 8.370 3.693 1.00 34.01 H new ATOM 0 HA ALA A 122 1.147 7.146 6.172 1.00 14.22 H new ATOM 0 HB1 ALA A 122 1.294 5.064 4.833 1.00 24.52 H new ATOM 0 HB2 ALA A 122 0.367 6.329 3.992 1.00 24.52 H new ATOM 0 HB3 ALA A 122 2.042 5.981 3.504 1.00 24.52 H new ATOM 2014 N LEU A 123 4.328 7.133 5.385 1.00 1.44 N ATOM 2015 CA LEU A 123 5.684 6.931 5.938 1.00 53.21 C ATOM 2016 C LEU A 123 5.888 7.815 7.187 1.00 24.25 C ATOM 2017 O LEU A 123 6.529 7.407 8.153 1.00 34.30 O ATOM 2018 CB LEU A 123 6.757 7.228 4.854 1.00 73.01 C ATOM 2019 CG LEU A 123 6.680 6.333 3.573 1.00 35.32 C ATOM 2020 CD1 LEU A 123 7.788 6.681 2.562 1.00 25.23 C ATOM 2021 CD2 LEU A 123 6.702 4.836 3.940 1.00 13.44 C ATOM 0 H LEU A 123 4.313 7.671 4.519 1.00 1.44 H new ATOM 0 HA LEU A 123 5.793 5.890 6.242 1.00 53.21 H new ATOM 0 HB2 LEU A 123 6.667 8.272 4.554 1.00 73.01 H new ATOM 0 HB3 LEU A 123 7.744 7.109 5.301 1.00 73.01 H new ATOM 0 HG LEU A 123 5.728 6.544 3.086 1.00 35.32 H new ATOM 0 HD11 LEU A 123 7.698 6.036 1.688 1.00 25.23 H new ATOM 0 HD12 LEU A 123 7.688 7.723 2.257 1.00 25.23 H new ATOM 0 HD13 LEU A 123 8.763 6.531 3.025 1.00 25.23 H new ATOM 0 HD21 LEU A 123 6.647 4.238 3.031 1.00 13.44 H new ATOM 0 HD22 LEU A 123 7.625 4.605 4.471 1.00 13.44 H new ATOM 0 HD23 LEU A 123 5.849 4.605 4.578 1.00 13.44 H new ATOM 2033 N GLU A 124 5.303 9.023 7.157 1.00 71.13 N ATOM 2034 CA GLU A 124 5.272 9.943 8.311 1.00 21.30 C ATOM 2035 C GLU A 124 4.299 9.419 9.401 1.00 65.22 C ATOM 2036 O GLU A 124 4.493 9.674 10.594 1.00 13.12 O ATOM 2037 CB GLU A 124 4.850 11.355 7.832 1.00 10.44 C ATOM 2038 CG GLU A 124 5.859 12.030 6.867 1.00 72.25 C ATOM 2039 CD GLU A 124 5.330 13.316 6.207 1.00 2.14 C ATOM 2040 OE1 GLU A 124 4.718 14.149 6.908 1.00 20.35 O ATOM 2041 OE2 GLU A 124 5.512 13.494 4.985 1.00 1.10 O ATOM 0 H GLU A 124 4.836 9.393 6.329 1.00 71.13 H new ATOM 0 HA GLU A 124 6.267 9.999 8.752 1.00 21.30 H new ATOM 0 HB2 GLU A 124 3.882 11.283 7.335 1.00 10.44 H new ATOM 0 HB3 GLU A 124 4.714 11.996 8.703 1.00 10.44 H new ATOM 0 HG2 GLU A 124 6.771 12.265 7.417 1.00 72.25 H new ATOM 0 HG3 GLU A 124 6.131 11.319 6.087 1.00 72.25 H new ATOM 2048 N LYS A 125 3.273 8.668 8.949 1.00 53.24 N ATOM 2049 CA LYS A 125 2.204 8.087 9.797 1.00 51.24 C ATOM 2050 C LYS A 125 2.797 7.010 10.737 1.00 64.32 C ATOM 2051 O LYS A 125 2.331 6.821 11.867 1.00 53.23 O ATOM 2052 CB LYS A 125 1.101 7.502 8.844 1.00 73.13 C ATOM 2053 CG LYS A 125 -0.319 7.295 9.415 1.00 73.13 C ATOM 2054 CD LYS A 125 -0.496 6.022 10.273 1.00 42.30 C ATOM 2055 CE LYS A 125 -1.929 5.894 10.812 1.00 12.14 C ATOM 2056 NZ LYS A 125 -2.340 7.100 11.589 1.00 44.32 N ATOM 0 H LYS A 125 3.160 8.442 7.961 1.00 53.24 H new ATOM 0 HA LYS A 125 1.754 8.845 10.437 1.00 51.24 H new ATOM 0 HB2 LYS A 125 1.020 8.164 7.982 1.00 73.13 H new ATOM 0 HB3 LYS A 125 1.456 6.540 8.475 1.00 73.13 H new ATOM 0 HG2 LYS A 125 -0.582 8.163 10.020 1.00 73.13 H new ATOM 0 HG3 LYS A 125 -1.026 7.258 8.586 1.00 73.13 H new ATOM 0 HD2 LYS A 125 -0.252 5.144 9.675 1.00 42.30 H new ATOM 0 HD3 LYS A 125 0.206 6.045 11.107 1.00 42.30 H new ATOM 0 HE2 LYS A 125 -2.618 5.745 9.980 1.00 12.14 H new ATOM 0 HE3 LYS A 125 -2.001 5.011 11.447 1.00 12.14 H new ATOM 0 HZ1 LYS A 125 -3.203 6.887 12.129 1.00 44.32 H new ATOM 0 HZ2 LYS A 125 -1.578 7.367 12.245 1.00 44.32 H new ATOM 0 HZ3 LYS A 125 -2.526 7.887 10.935 1.00 44.32 H new ATOM 2070 N SER A 126 3.840 6.315 10.242 1.00 50.31 N ATOM 2071 CA SER A 126 4.618 5.354 11.038 1.00 14.30 C ATOM 2072 C SER A 126 5.631 6.097 11.911 1.00 15.15 C ATOM 2073 O SER A 126 5.746 5.844 13.114 1.00 1.22 O ATOM 2074 CB SER A 126 5.332 4.344 10.116 1.00 71.23 C ATOM 2075 OG SER A 126 6.168 4.996 9.179 1.00 33.11 O ATOM 0 H SER A 126 4.164 6.406 9.279 1.00 50.31 H new ATOM 0 HA SER A 126 3.938 4.801 11.686 1.00 14.30 H new ATOM 0 HB2 SER A 126 5.926 3.657 10.719 1.00 71.23 H new ATOM 0 HB3 SER A 126 4.590 3.745 9.588 1.00 71.23 H new ATOM 0 HG SER A 126 5.841 5.907 9.027 1.00 33.11 H new ATOM 2081 N GLY A 127 6.343 7.034 11.271 1.00 72.22 N ATOM 2082 CA GLY A 127 7.365 7.853 11.927 1.00 61.55 C ATOM 2083 C GLY A 127 8.640 7.992 11.102 1.00 25.23 C ATOM 2084 O GLY A 127 9.553 8.727 11.495 1.00 71.14 O ATOM 0 H GLY A 127 6.224 7.244 10.280 1.00 72.22 H new ATOM 0 HA2 GLY A 127 6.957 8.844 12.124 1.00 61.55 H new ATOM 0 HA3 GLY A 127 7.611 7.412 12.893 1.00 61.55 H new ATOM 2088 N SER A 128 8.718 7.262 9.970 1.00 21.45 N ATOM 2089 CA SER A 128 9.852 7.345 9.035 1.00 14.40 C ATOM 2090 C SER A 128 9.769 8.661 8.231 1.00 11.32 C ATOM 2091 O SER A 128 9.065 8.743 7.222 1.00 32.52 O ATOM 2092 CB SER A 128 9.857 6.106 8.102 1.00 33.10 C ATOM 2093 OG SER A 128 9.935 4.899 8.852 1.00 72.23 O ATOM 0 H SER A 128 7.997 6.601 9.682 1.00 21.45 H new ATOM 0 HA SER A 128 10.789 7.349 9.591 1.00 14.40 H new ATOM 0 HB2 SER A 128 8.953 6.102 7.494 1.00 33.10 H new ATOM 0 HB3 SER A 128 10.702 6.167 7.416 1.00 33.10 H new ATOM 0 HG SER A 128 9.031 4.588 9.067 1.00 72.23 H new ATOM 2099 N LEU A 129 10.427 9.704 8.756 1.00 23.03 N ATOM 2100 CA LEU A 129 10.477 11.045 8.140 1.00 53.20 C ATOM 2101 C LEU A 129 11.688 11.147 7.188 1.00 54.33 C ATOM 2102 O LEU A 129 12.702 10.470 7.402 1.00 72.51 O ATOM 2103 CB LEU A 129 10.586 12.124 9.259 1.00 31.53 C ATOM 2104 CG LEU A 129 9.493 12.075 10.380 1.00 21.23 C ATOM 2105 CD1 LEU A 129 9.732 13.154 11.451 1.00 73.14 C ATOM 2106 CD2 LEU A 129 8.075 12.189 9.795 1.00 54.51 C ATOM 0 H LEU A 129 10.947 9.643 9.631 1.00 23.03 H new ATOM 0 HA LEU A 129 9.566 11.211 7.564 1.00 53.20 H new ATOM 0 HB2 LEU A 129 11.564 12.030 9.731 1.00 31.53 H new ATOM 0 HB3 LEU A 129 10.551 13.107 8.790 1.00 31.53 H new ATOM 0 HG LEU A 129 9.576 11.101 10.863 1.00 21.23 H new ATOM 0 HD11 LEU A 129 8.954 13.090 12.212 1.00 73.14 H new ATOM 0 HD12 LEU A 129 10.706 12.998 11.914 1.00 73.14 H new ATOM 0 HD13 LEU A 129 9.705 14.140 10.987 1.00 73.14 H new ATOM 0 HD21 LEU A 129 7.344 12.151 10.603 1.00 54.51 H new ATOM 0 HD22 LEU A 129 7.977 13.134 9.261 1.00 54.51 H new ATOM 0 HD23 LEU A 129 7.898 11.363 9.106 1.00 54.51 H new ATOM 2118 N GLU A 130 11.569 11.991 6.140 1.00 62.12 N ATOM 2119 CA GLU A 130 12.700 12.307 5.242 1.00 44.14 C ATOM 2120 C GLU A 130 13.662 13.243 5.969 1.00 62.22 C ATOM 2121 O GLU A 130 14.854 12.941 6.134 1.00 21.32 O ATOM 2122 CB GLU A 130 12.181 12.954 3.912 1.00 22.41 C ATOM 2123 CG GLU A 130 13.216 13.090 2.746 1.00 52.34 C ATOM 2124 CD GLU A 130 14.230 14.252 2.880 1.00 55.41 C ATOM 2125 OE1 GLU A 130 13.892 15.385 2.499 1.00 74.24 O ATOM 2126 OE2 GLU A 130 15.371 14.042 3.343 1.00 1.14 O ATOM 0 H GLU A 130 10.700 12.466 5.895 1.00 62.12 H new ATOM 0 HA GLU A 130 13.226 11.390 4.976 1.00 44.14 H new ATOM 0 HB2 GLU A 130 11.339 12.363 3.552 1.00 22.41 H new ATOM 0 HB3 GLU A 130 11.797 13.947 4.144 1.00 22.41 H new ATOM 0 HG2 GLU A 130 13.771 12.155 2.667 1.00 52.34 H new ATOM 0 HG3 GLU A 130 12.669 13.216 1.812 1.00 52.34 H new ATOM 2133 N HIS A 131 13.110 14.376 6.411 1.00 20.01 N ATOM 2134 CA HIS A 131 13.879 15.463 7.027 1.00 53.12 C ATOM 2135 C HIS A 131 14.258 15.131 8.475 1.00 64.12 C ATOM 2136 O HIS A 131 13.681 14.218 9.093 1.00 23.24 O ATOM 2137 CB HIS A 131 13.080 16.789 6.958 1.00 22.51 C ATOM 2138 CG HIS A 131 12.823 17.268 5.550 1.00 54.13 C ATOM 2139 ND1 HIS A 131 13.670 18.161 4.930 1.00 12.44 N ATOM 2140 CD2 HIS A 131 11.816 16.955 4.693 1.00 63.05 C ATOM 2141 CE1 HIS A 131 13.165 18.366 3.727 1.00 41.21 C ATOM 2142 NE2 HIS A 131 12.044 17.657 3.539 1.00 4.15 N ATOM 0 H HIS A 131 12.110 14.567 6.352 1.00 20.01 H new ATOM 0 HA HIS A 131 14.806 15.582 6.466 1.00 53.12 H new ATOM 0 HB2 HIS A 131 12.125 16.655 7.467 1.00 22.51 H new ATOM 0 HB3 HIS A 131 13.625 17.561 7.501 1.00 22.51 H new ATOM 0 HD2 HIS A 131 10.994 16.282 4.885 1.00 63.05 H new ATOM 0 HE1 HIS A 131 13.601 19.022 2.988 1.00 41.21 H new ATOM 0 HE2 HIS A 131 11.469 17.643 2.696 1.00 4.15 H new ATOM 2150 N HIS A 132 15.240 15.888 8.991 1.00 43.44 N ATOM 2151 CA HIS A 132 15.719 15.770 10.374 1.00 74.11 C ATOM 2152 C HIS A 132 14.576 16.112 11.348 1.00 21.34 C ATOM 2153 O HIS A 132 14.098 17.254 11.370 1.00 71.32 O ATOM 2154 CB HIS A 132 16.920 16.730 10.626 1.00 65.04 C ATOM 2155 CG HIS A 132 18.135 16.499 9.751 1.00 14.53 C ATOM 2156 ND1 HIS A 132 19.303 15.963 10.254 1.00 32.21 N ATOM 2157 CD2 HIS A 132 18.324 16.784 8.437 1.00 62.32 C ATOM 2158 CE1 HIS A 132 20.157 15.938 9.244 1.00 33.02 C ATOM 2159 NE2 HIS A 132 19.609 16.425 8.128 1.00 5.32 N ATOM 0 H HIS A 132 15.727 16.605 8.453 1.00 43.44 H new ATOM 0 HA HIS A 132 16.051 14.745 10.539 1.00 74.11 H new ATOM 0 HB2 HIS A 132 16.579 17.755 10.481 1.00 65.04 H new ATOM 0 HB3 HIS A 132 17.223 16.639 11.669 1.00 65.04 H new ATOM 0 HD2 HIS A 132 17.598 17.213 7.763 1.00 62.32 H new ATOM 0 HE1 HIS A 132 21.170 15.570 9.313 1.00 33.02 H new ATOM 0 HE2 HIS A 132 20.062 16.513 7.218 1.00 5.32 H new ATOM 2167 N HIS A 133 14.121 15.103 12.115 1.00 4.54 N ATOM 2168 CA HIS A 133 13.100 15.284 13.168 1.00 52.21 C ATOM 2169 C HIS A 133 13.648 16.203 14.278 1.00 2.10 C ATOM 2170 O HIS A 133 12.938 17.077 14.788 1.00 1.22 O ATOM 2171 CB HIS A 133 12.693 13.906 13.756 1.00 24.21 C ATOM 2172 CG HIS A 133 11.657 13.963 14.858 1.00 3.12 C ATOM 2173 ND1 HIS A 133 11.838 13.374 16.090 1.00 43.24 N ATOM 2174 CD2 HIS A 133 10.420 14.527 14.897 1.00 64.31 C ATOM 2175 CE1 HIS A 133 10.772 13.574 16.836 1.00 4.53 C ATOM 2176 NE2 HIS A 133 9.899 14.271 16.136 1.00 35.14 N ATOM 0 H HIS A 133 14.449 14.141 12.024 1.00 4.54 H new ATOM 0 HA HIS A 133 12.216 15.751 12.733 1.00 52.21 H new ATOM 0 HB2 HIS A 133 12.309 13.282 12.949 1.00 24.21 H new ATOM 0 HB3 HIS A 133 13.586 13.414 14.142 1.00 24.21 H new ATOM 0 HD2 HIS A 133 9.939 15.074 14.100 1.00 64.31 H new ATOM 0 HE1 HIS A 133 10.636 13.226 17.849 1.00 4.53 H new ATOM 0 HE2 HIS A 133 8.982 14.571 16.465 1.00 35.14 H new ATOM 2185 N HIS A 134 14.926 15.989 14.611 1.00 30.32 N ATOM 2186 CA HIS A 134 15.654 16.763 15.621 1.00 32.25 C ATOM 2187 C HIS A 134 17.118 16.905 15.171 1.00 61.24 C ATOM 2188 O HIS A 134 17.874 15.926 15.166 1.00 60.12 O ATOM 2189 CB HIS A 134 15.550 16.070 17.005 1.00 12.11 C ATOM 2190 CG HIS A 134 16.366 16.724 18.089 1.00 13.53 C ATOM 2191 ND1 HIS A 134 17.630 16.298 18.421 1.00 55.21 N ATOM 2192 CD2 HIS A 134 16.103 17.777 18.905 1.00 52.31 C ATOM 2193 CE1 HIS A 134 18.108 17.053 19.381 1.00 12.41 C ATOM 2194 NE2 HIS A 134 17.204 17.957 19.692 1.00 74.22 N ATOM 0 H HIS A 134 15.493 15.260 14.178 1.00 30.32 H new ATOM 0 HA HIS A 134 15.217 17.756 15.722 1.00 32.25 H new ATOM 0 HB2 HIS A 134 14.504 16.055 17.313 1.00 12.11 H new ATOM 0 HB3 HIS A 134 15.868 15.032 16.903 1.00 12.11 H new ATOM 0 HD2 HIS A 134 15.195 18.361 18.927 1.00 52.31 H new ATOM 0 HE1 HIS A 134 19.080 16.950 19.839 1.00 12.41 H new ATOM 0 HE2 HIS A 134 17.309 18.677 20.407 1.00 74.22 H new ATOM 2203 N HIS A 135 17.505 18.127 14.780 1.00 64.04 N ATOM 2204 CA HIS A 135 18.857 18.430 14.269 1.00 31.45 C ATOM 2205 C HIS A 135 19.602 19.348 15.258 1.00 52.32 C ATOM 2206 O HIS A 135 19.570 20.578 15.119 1.00 53.21 O ATOM 2207 CB HIS A 135 18.749 19.074 12.857 1.00 53.10 C ATOM 2208 CG HIS A 135 20.070 19.417 12.208 1.00 72.52 C ATOM 2209 ND1 HIS A 135 20.519 20.712 12.074 1.00 50.24 N ATOM 2210 CD2 HIS A 135 21.019 18.635 11.638 1.00 74.42 C ATOM 2211 CE1 HIS A 135 21.685 20.712 11.463 1.00 13.21 C ATOM 2212 NE2 HIS A 135 22.007 19.465 11.186 1.00 32.34 N ATOM 0 H HIS A 135 16.889 18.940 14.808 1.00 64.04 H new ATOM 0 HA HIS A 135 19.432 17.508 14.177 1.00 31.45 H new ATOM 0 HB2 HIS A 135 18.207 18.391 12.203 1.00 53.10 H new ATOM 0 HB3 HIS A 135 18.152 19.983 12.934 1.00 53.10 H new ATOM 0 HD2 HIS A 135 20.999 17.558 11.556 1.00 74.42 H new ATOM 0 HE1 HIS A 135 22.276 21.585 11.229 1.00 13.21 H new ATOM 0 HE2 HIS A 135 22.858 19.166 10.710 1.00 32.34 H new ATOM 2221 N HIS A 136 20.204 18.726 16.298 1.00 54.34 N ATOM 2222 CA HIS A 136 21.127 19.391 17.245 1.00 24.32 C ATOM 2223 C HIS A 136 21.727 18.311 18.192 1.00 70.41 C ATOM 2224 O HIS A 136 21.144 18.041 19.259 1.00 24.30 O ATOM 2225 CB HIS A 136 20.440 20.549 18.049 1.00 33.41 C ATOM 2226 CG HIS A 136 21.402 21.342 18.905 1.00 64.23 C ATOM 2227 ND1 HIS A 136 22.261 22.278 18.385 1.00 3.42 N ATOM 2228 CD2 HIS A 136 21.645 21.315 20.237 1.00 22.02 C ATOM 2229 CE1 HIS A 136 22.990 22.787 19.353 1.00 12.23 C ATOM 2230 NE2 HIS A 136 22.634 22.222 20.489 1.00 2.30 N ATOM 2231 OXT HIS A 136 22.751 17.700 17.838 1.00 37.91 O ATOM 0 H HIS A 136 20.061 17.738 16.505 1.00 54.34 H new ATOM 0 HA HIS A 136 21.925 19.869 16.677 1.00 24.32 H new ATOM 0 HB2 HIS A 136 19.947 21.224 17.349 1.00 33.41 H new ATOM 0 HB3 HIS A 136 19.662 20.127 18.686 1.00 33.41 H new ATOM 0 HD2 HIS A 136 21.148 20.691 20.965 1.00 22.02 H new ATOM 0 HE1 HIS A 136 23.753 23.542 19.237 1.00 12.23 H new ATOM 0 HE2 HIS A 136 23.032 22.428 21.405 1.00 2.30 H new TER 2240 HIS A 136