USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 66 ASN : amide:sc= -2.64! K(o=-2.5!,f=-0.66) USER MOD Set 1.2: A 67 THR OG1 : rot 93:sc= 0.188 USER MOD Set 1.3: A 70 ASN : amide:sc=-0.00522 K(o=-2.5,f=-1.7) USER MOD Set 2.1: A 44 THR OG1 : rot -59:sc= -8.98! USER MOD Set 2.2: A 60 ASN : amide:sc= -16.2! C(o=-25!,f=-35!) USER MOD Single : A 12 SER OG : rot 17:sc= 0.669 USER MOD Single : A 16 SER OG : rot -150:sc= 1.2 USER MOD Single : A 20 HIS : no HE2:sc= -8.07! C(o=-8.1!,f=-8.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.98) USER MOD Single : A 48 MET CE :methyl -140:sc= -2.75! (180deg=-3.91!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.11 (180deg=-0.11) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -6.72! C(o=-6.7!,f=-5.7!) USER MOD Single : A 54 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.76) USER MOD Single : A 59 MET CE :methyl -166:sc= -0.0504 (180deg=-0.444) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.11! USER MOD Single : A 68 MET CE :methyl -120:sc= -1.86 (180deg=-4.26!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 122:sc= -3.95! USER MOD Single : A 73 THR OG1 : rot 10:sc= -0.48! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -163:sc= 0.349 USER MOD Single : A 82 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 151:sc= -1.94! USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 91 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.015) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -81:sc= 0.102 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -13.339 14.977 4.930 1.00 0.00 N ATOM 2 CA SER A 12 -12.392 13.911 4.510 1.00 0.00 C ATOM 3 C SER A 12 -12.172 13.932 3.002 1.00 0.00 C ATOM 4 O SER A 12 -12.603 14.858 2.314 1.00 0.00 O ATOM 5 CB SER A 12 -12.960 12.557 4.941 1.00 0.00 C ATOM 6 OG SER A 12 -13.743 12.683 6.116 1.00 0.00 O ATOM 0 HA SER A 12 -11.426 14.083 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.568 12.142 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.144 11.856 5.117 1.00 0.00 H new ATOM 0 HG SER A 12 -13.980 13.624 6.252 1.00 0.00 H new ATOM 11 N GLY A 13 -11.499 12.906 2.492 1.00 0.00 N ATOM 12 CA GLY A 13 -11.232 12.827 1.068 1.00 0.00 C ATOM 13 C GLY A 13 -12.116 11.813 0.367 1.00 0.00 C ATOM 14 O GLY A 13 -13.269 12.101 0.045 1.00 0.00 O ATOM 0 H GLY A 13 -11.133 12.127 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.383 13.808 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.186 12.562 0.912 1.00 0.00 H new ATOM 18 N VAL A 14 -11.575 10.622 0.133 1.00 0.00 N ATOM 19 CA VAL A 14 -12.322 9.562 -0.533 1.00 0.00 C ATOM 20 C VAL A 14 -12.221 8.250 0.238 1.00 0.00 C ATOM 21 O VAL A 14 -11.191 7.950 0.842 1.00 0.00 O ATOM 22 CB VAL A 14 -11.819 9.338 -1.971 1.00 0.00 C ATOM 23 CG1 VAL A 14 -12.692 10.086 -2.966 1.00 0.00 C ATOM 24 CG2 VAL A 14 -10.364 9.766 -2.101 1.00 0.00 C ATOM 0 H VAL A 14 -10.623 10.367 0.395 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.363 9.882 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.883 8.273 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.320 9.915 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.718 9.727 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.664 11.153 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.026 9.600 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.273 10.824 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.750 9.180 -1.417 1.00 0.00 H new ATOM 34 N PRO A 15 -13.297 7.451 0.225 1.00 0.00 N ATOM 35 CA PRO A 15 -13.337 6.163 0.924 1.00 0.00 C ATOM 36 C PRO A 15 -12.152 5.273 0.562 1.00 0.00 C ATOM 37 O PRO A 15 -12.181 4.562 -0.443 1.00 0.00 O ATOM 38 CB PRO A 15 -14.645 5.534 0.438 1.00 0.00 C ATOM 39 CG PRO A 15 -15.499 6.692 0.050 1.00 0.00 C ATOM 40 CD PRO A 15 -14.560 7.743 -0.475 1.00 0.00 C ATOM 0 HA PRO A 15 -13.284 6.284 2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -14.474 4.867 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -15.115 4.941 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -16.226 6.404 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -16.063 7.065 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.445 7.675 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -14.918 8.749 -0.255 1.00 0.00 H new ATOM 48 N SER A 16 -11.112 5.317 1.388 1.00 0.00 N ATOM 49 CA SER A 16 -9.916 4.514 1.155 1.00 0.00 C ATOM 50 C SER A 16 -9.359 3.971 2.466 1.00 0.00 C ATOM 51 O SER A 16 -9.298 4.682 3.468 1.00 0.00 O ATOM 52 CB SER A 16 -8.849 5.346 0.441 1.00 0.00 C ATOM 53 OG SER A 16 -9.421 6.139 -0.585 1.00 0.00 O ATOM 0 H SER A 16 -11.073 5.900 2.224 1.00 0.00 H new ATOM 0 HA SER A 16 -10.194 3.671 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.342 5.988 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.093 4.686 0.016 1.00 0.00 H new ATOM 0 HG SER A 16 -8.764 6.274 -1.299 1.00 0.00 H new ATOM 59 N ARG A 17 -8.952 2.706 2.450 1.00 0.00 N ATOM 60 CA ARG A 17 -8.397 2.066 3.638 1.00 0.00 C ATOM 61 C ARG A 17 -7.348 1.027 3.255 1.00 0.00 C ATOM 62 O ARG A 17 -6.242 1.021 3.794 1.00 0.00 O ATOM 63 CB ARG A 17 -9.511 1.407 4.455 1.00 0.00 C ATOM 64 CG ARG A 17 -9.288 1.481 5.956 1.00 0.00 C ATOM 65 CD ARG A 17 -10.605 1.542 6.713 1.00 0.00 C ATOM 66 NE ARG A 17 -10.957 0.253 7.302 1.00 0.00 N ATOM 67 CZ ARG A 17 -12.116 0.012 7.907 1.00 0.00 C ATOM 68 NH1 ARG A 17 -13.029 0.970 8.002 1.00 0.00 N ATOM 69 NH2 ARG A 17 -12.363 -1.187 8.417 1.00 0.00 N ATOM 0 H ARG A 17 -8.996 2.104 1.628 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.917 2.834 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.460 1.886 4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.597 0.361 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.719 0.611 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.690 2.361 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.537 2.294 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.398 1.860 6.036 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.276 -0.504 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.842 1.893 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.918 0.783 8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.663 -1.926 8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.253 -1.370 8.881 1.00 0.00 H new ATOM 83 N VAL A 18 -7.703 0.150 2.321 1.00 0.00 N ATOM 84 CA VAL A 18 -6.791 -0.893 1.865 1.00 0.00 C ATOM 85 C VAL A 18 -5.920 -0.395 0.717 1.00 0.00 C ATOM 86 O VAL A 18 -6.359 -0.343 -0.431 1.00 0.00 O ATOM 87 CB VAL A 18 -7.557 -2.148 1.407 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.607 -3.325 1.250 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.672 -2.480 2.385 1.00 0.00 C ATOM 0 H VAL A 18 -8.616 0.141 1.865 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.157 -1.154 2.713 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.007 -1.942 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.166 -4.203 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.848 -3.083 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.125 -3.534 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.202 -3.370 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.247 -2.666 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.368 -1.643 2.441 1.00 0.00 H new ATOM 99 N ILE A 19 -4.683 -0.029 1.036 1.00 0.00 N ATOM 100 CA ILE A 19 -3.751 0.467 0.031 1.00 0.00 C ATOM 101 C ILE A 19 -3.102 -0.681 -0.735 1.00 0.00 C ATOM 102 O ILE A 19 -2.229 -1.374 -0.213 1.00 0.00 O ATOM 103 CB ILE A 19 -2.647 1.333 0.668 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.265 2.407 1.564 1.00 0.00 C ATOM 105 CG2 ILE A 19 -1.782 1.969 -0.411 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.224 3.323 0.834 1.00 0.00 C ATOM 0 H ILE A 19 -4.303 -0.067 1.982 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.330 1.079 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.014 0.693 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.792 1.924 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.467 3.005 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.007 2.577 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.317 1.188 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.402 2.598 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.624 4.060 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.697 3.834 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.042 2.736 0.417 1.00 0.00 H new ATOM 118 N HIS A 20 -3.535 -0.875 -1.976 1.00 0.00 N ATOM 119 CA HIS A 20 -2.998 -1.936 -2.819 1.00 0.00 C ATOM 120 C HIS A 20 -1.723 -1.479 -3.520 1.00 0.00 C ATOM 121 O HIS A 20 -1.768 -0.666 -4.442 1.00 0.00 O ATOM 122 CB HIS A 20 -4.037 -2.366 -3.856 1.00 0.00 C ATOM 123 CG HIS A 20 -3.714 -3.666 -4.525 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.092 -3.961 -5.817 1.00 0.00 N ATOM 125 CD2 HIS A 20 -3.045 -4.753 -4.073 1.00 0.00 C ATOM 126 CE1 HIS A 20 -3.671 -5.173 -6.131 1.00 0.00 C ATOM 127 NE2 HIS A 20 -3.032 -5.675 -5.090 1.00 0.00 N ATOM 0 H HIS A 20 -4.258 -0.310 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.757 -2.787 -2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.010 -2.448 -3.371 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.124 -1.588 -4.615 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.615 -3.340 -6.434 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.604 -4.872 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.823 -5.669 -7.078 1.00 0.00 H new ATOM 136 N ILE A 21 -0.587 -2.007 -3.075 1.00 0.00 N ATOM 137 CA ILE A 21 0.700 -1.653 -3.660 1.00 0.00 C ATOM 138 C ILE A 21 0.976 -2.468 -4.919 1.00 0.00 C ATOM 139 O ILE A 21 1.051 -3.696 -4.871 1.00 0.00 O ATOM 140 CB ILE A 21 1.851 -1.871 -2.660 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.355 -1.681 -1.226 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.001 -0.921 -2.959 1.00 0.00 C ATOM 143 CD1 ILE A 21 0.617 -0.378 -1.009 1.00 0.00 C ATOM 0 H ILE A 21 -0.532 -2.681 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 21 0.648 -0.595 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 21 2.214 -2.893 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.697 -2.510 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.207 -1.724 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.806 -1.088 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.369 -1.102 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.652 0.109 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.294 -0.311 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.279 0.457 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.255 -0.340 -1.663 1.00 0.00 H new ATOM 155 N ARG A 22 1.132 -1.777 -6.043 1.00 0.00 N ATOM 156 CA ARG A 22 1.405 -2.437 -7.314 1.00 0.00 C ATOM 157 C ARG A 22 2.883 -2.326 -7.672 1.00 0.00 C ATOM 158 O ARG A 22 3.644 -1.640 -6.991 1.00 0.00 O ATOM 159 CB ARG A 22 0.549 -1.828 -8.425 1.00 0.00 C ATOM 160 CG ARG A 22 0.065 -2.843 -9.447 1.00 0.00 C ATOM 161 CD ARG A 22 -1.282 -2.448 -10.030 1.00 0.00 C ATOM 162 NE ARG A 22 -2.226 -3.561 -10.033 1.00 0.00 N ATOM 163 CZ ARG A 22 -2.026 -4.695 -10.696 1.00 0.00 C ATOM 164 NH1 ARG A 22 -0.920 -4.863 -11.407 1.00 0.00 N ATOM 165 NH2 ARG A 22 -2.932 -5.662 -10.649 1.00 0.00 N ATOM 0 H ARG A 22 1.074 -0.760 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 22 1.151 -3.492 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.314 -1.335 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.127 -1.058 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.798 -2.931 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.014 -3.824 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.698 -1.622 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.144 -2.088 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.088 -3.463 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.221 -4.121 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.768 -5.734 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.784 -5.536 -10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.777 -6.532 -11.159 1.00 0.00 H new ATOM 179 N LYS A 23 3.284 -3.004 -8.741 1.00 0.00 N ATOM 180 CA LYS A 23 4.674 -2.975 -9.178 1.00 0.00 C ATOM 181 C LYS A 23 5.612 -3.105 -7.985 1.00 0.00 C ATOM 182 O LYS A 23 6.625 -2.412 -7.901 1.00 0.00 O ATOM 183 CB LYS A 23 4.968 -1.675 -9.929 1.00 0.00 C ATOM 184 CG LYS A 23 5.773 -1.877 -11.203 1.00 0.00 C ATOM 185 CD LYS A 23 7.264 -1.953 -10.914 1.00 0.00 C ATOM 186 CE LYS A 23 8.037 -2.486 -12.110 1.00 0.00 C ATOM 187 NZ LYS A 23 9.435 -2.848 -11.750 1.00 0.00 N ATOM 0 H LYS A 23 2.670 -3.578 -9.319 1.00 0.00 H new ATOM 0 HA LYS A 23 4.839 -3.818 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.025 -1.188 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.511 -0.999 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.450 -2.793 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.576 -1.056 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.636 -0.963 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.436 -2.597 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.527 -3.362 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.048 -1.734 -12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.928 -3.207 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.930 -2.007 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.425 -3.584 -11.015 1.00 0.00 H new ATOM 201 N LEU A 24 5.266 -3.996 -7.062 1.00 0.00 N ATOM 202 CA LEU A 24 6.077 -4.211 -5.871 1.00 0.00 C ATOM 203 C LEU A 24 6.403 -5.688 -5.697 1.00 0.00 C ATOM 204 O LEU A 24 5.518 -6.541 -5.749 1.00 0.00 O ATOM 205 CB LEU A 24 5.348 -3.691 -4.629 1.00 0.00 C ATOM 206 CG LEU A 24 5.884 -4.213 -3.293 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.085 -3.396 -2.840 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.793 -4.190 -2.233 1.00 0.00 C ATOM 0 H LEU A 24 4.431 -4.579 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 24 7.010 -3.661 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.403 -2.602 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.294 -3.957 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 24 6.205 -5.245 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.451 -3.783 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.875 -3.465 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.791 -2.353 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.193 -4.565 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.440 -3.168 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.963 -4.821 -2.551 1.00 0.00 H new ATOM 220 N PRO A 25 7.685 -6.006 -5.478 1.00 0.00 N ATOM 221 CA PRO A 25 8.132 -7.382 -5.287 1.00 0.00 C ATOM 222 C PRO A 25 7.793 -7.897 -3.895 1.00 0.00 C ATOM 223 O PRO A 25 8.669 -8.005 -3.037 1.00 0.00 O ATOM 224 CB PRO A 25 9.645 -7.285 -5.472 1.00 0.00 C ATOM 225 CG PRO A 25 9.988 -5.901 -5.043 1.00 0.00 C ATOM 226 CD PRO A 25 8.799 -5.042 -5.393 1.00 0.00 C ATOM 0 HA PRO A 25 7.652 -8.077 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.167 -8.028 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.930 -7.460 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.192 -5.865 -3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.886 -5.548 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.615 -4.283 -4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.948 -4.517 -6.337 1.00 0.00 H new ATOM 234 N ILE A 26 6.514 -8.203 -3.677 1.00 0.00 N ATOM 235 CA ILE A 26 6.054 -8.700 -2.385 1.00 0.00 C ATOM 236 C ILE A 26 7.136 -9.537 -1.715 1.00 0.00 C ATOM 237 O ILE A 26 7.462 -10.636 -2.166 1.00 0.00 O ATOM 238 CB ILE A 26 4.759 -9.522 -2.525 1.00 0.00 C ATOM 239 CG1 ILE A 26 3.576 -8.587 -2.781 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.515 -10.362 -1.281 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.217 -7.728 -1.589 1.00 0.00 C ATOM 0 H ILE A 26 5.780 -8.115 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 26 5.838 -7.834 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 26 4.865 -10.199 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.810 -7.941 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.708 -9.182 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.595 -10.934 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.351 -11.046 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.424 -9.709 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.370 -7.090 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.951 -8.367 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.071 -7.107 -1.318 1.00 0.00 H new ATOM 253 N ASP A 27 7.691 -8.980 -0.645 1.00 0.00 N ATOM 254 CA ASP A 27 8.756 -9.610 0.121 1.00 0.00 C ATOM 255 C ASP A 27 9.691 -8.538 0.672 1.00 0.00 C ATOM 256 O ASP A 27 10.459 -8.784 1.602 1.00 0.00 O ATOM 257 CB ASP A 27 9.548 -10.596 -0.741 1.00 0.00 C ATOM 258 CG ASP A 27 10.879 -10.970 -0.117 1.00 0.00 C ATOM 259 OD1 ASP A 27 10.877 -11.720 0.880 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.922 -10.511 -0.628 1.00 0.00 O ATOM 0 H ASP A 27 7.410 -8.069 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 27 8.306 -10.165 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.955 -11.498 -0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.721 -10.158 -1.724 1.00 0.00 H new ATOM 265 N VAL A 28 9.606 -7.341 0.089 1.00 0.00 N ATOM 266 CA VAL A 28 10.420 -6.212 0.509 1.00 0.00 C ATOM 267 C VAL A 28 10.313 -6.012 2.020 1.00 0.00 C ATOM 268 O VAL A 28 9.796 -6.875 2.728 1.00 0.00 O ATOM 269 CB VAL A 28 9.985 -4.931 -0.238 1.00 0.00 C ATOM 270 CG1 VAL A 28 8.801 -4.270 0.450 1.00 0.00 C ATOM 271 CG2 VAL A 28 11.147 -3.962 -0.388 1.00 0.00 C ATOM 0 H VAL A 28 8.973 -7.133 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 28 11.461 -6.421 0.262 1.00 0.00 H new ATOM 0 HB VAL A 28 9.666 -5.222 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.517 -3.371 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.960 -4.963 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.076 -4.001 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.811 -3.070 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.516 -3.681 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.948 -4.439 -0.953 1.00 0.00 H new ATOM 281 N THR A 29 10.804 -4.884 2.520 1.00 0.00 N ATOM 282 CA THR A 29 10.754 -4.618 3.951 1.00 0.00 C ATOM 283 C THR A 29 9.694 -3.580 4.297 1.00 0.00 C ATOM 284 O THR A 29 9.442 -2.648 3.532 1.00 0.00 O ATOM 285 CB THR A 29 12.117 -4.140 4.483 1.00 0.00 C ATOM 286 OG1 THR A 29 12.438 -2.858 3.930 1.00 0.00 O ATOM 287 CG2 THR A 29 13.213 -5.136 4.136 1.00 0.00 C ATOM 0 H THR A 29 11.236 -4.147 1.963 1.00 0.00 H new ATOM 0 HA THR A 29 10.493 -5.562 4.429 1.00 0.00 H new ATOM 0 HB THR A 29 12.050 -4.060 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.306 -2.561 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.167 -4.777 4.522 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.981 -6.103 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.277 -5.244 3.053 1.00 0.00 H new ATOM 295 N GLU A 30 9.077 -3.750 5.463 1.00 0.00 N ATOM 296 CA GLU A 30 8.047 -2.833 5.926 1.00 0.00 C ATOM 297 C GLU A 30 8.617 -1.431 6.108 1.00 0.00 C ATOM 298 O GLU A 30 8.023 -0.445 5.674 1.00 0.00 O ATOM 299 CB GLU A 30 7.451 -3.328 7.244 1.00 0.00 C ATOM 300 CG GLU A 30 7.132 -4.813 7.244 1.00 0.00 C ATOM 301 CD GLU A 30 8.224 -5.644 7.890 1.00 0.00 C ATOM 302 OE1 GLU A 30 9.078 -5.060 8.590 1.00 0.00 O ATOM 303 OE2 GLU A 30 8.224 -6.878 7.696 1.00 0.00 O ATOM 0 H GLU A 30 9.275 -4.518 6.104 1.00 0.00 H new ATOM 0 HA GLU A 30 7.260 -2.794 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.150 -3.114 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.540 -2.769 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.193 -4.979 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.984 -5.149 6.218 1.00 0.00 H new ATOM 310 N GLY A 31 9.780 -1.351 6.750 1.00 0.00 N ATOM 311 CA GLY A 31 10.411 -0.065 6.974 1.00 0.00 C ATOM 312 C GLY A 31 10.275 0.852 5.777 1.00 0.00 C ATOM 313 O GLY A 31 10.099 2.062 5.928 1.00 0.00 O ATOM 0 H GLY A 31 10.294 -2.152 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.964 0.410 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.467 -0.214 7.198 1.00 0.00 H new ATOM 317 N GLU A 32 10.351 0.275 4.582 1.00 0.00 N ATOM 318 CA GLU A 32 10.227 1.046 3.353 1.00 0.00 C ATOM 319 C GLU A 32 8.773 1.432 3.111 1.00 0.00 C ATOM 320 O GLU A 32 8.458 2.600 2.888 1.00 0.00 O ATOM 321 CB GLU A 32 10.763 0.247 2.164 1.00 0.00 C ATOM 322 CG GLU A 32 12.229 -0.132 2.296 1.00 0.00 C ATOM 323 CD GLU A 32 12.781 -0.773 1.039 1.00 0.00 C ATOM 324 OE1 GLU A 32 11.975 -1.163 0.168 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.020 -0.886 0.924 1.00 0.00 O ATOM 0 H GLU A 32 10.498 -0.724 4.440 1.00 0.00 H new ATOM 0 HA GLU A 32 10.818 1.956 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.171 -0.661 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.628 0.831 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.811 0.759 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.349 -0.820 3.133 1.00 0.00 H new ATOM 332 N VAL A 33 7.888 0.441 3.168 1.00 0.00 N ATOM 333 CA VAL A 33 6.466 0.679 2.965 1.00 0.00 C ATOM 334 C VAL A 33 5.911 1.577 4.065 1.00 0.00 C ATOM 335 O VAL A 33 5.433 2.681 3.799 1.00 0.00 O ATOM 336 CB VAL A 33 5.671 -0.639 2.941 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.181 -0.364 2.803 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.161 -1.539 1.817 1.00 0.00 C ATOM 0 H VAL A 33 8.132 -0.532 3.353 1.00 0.00 H new ATOM 0 HA VAL A 33 6.356 1.171 1.999 1.00 0.00 H new ATOM 0 HB VAL A 33 5.834 -1.156 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.637 -1.308 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.842 0.237 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.995 0.177 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.587 -2.466 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.031 -1.031 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.216 -1.766 1.967 1.00 0.00 H new ATOM 348 N ILE A 34 5.986 1.099 5.303 1.00 0.00 N ATOM 349 CA ILE A 34 5.504 1.853 6.445 1.00 0.00 C ATOM 350 C ILE A 34 6.072 3.267 6.448 1.00 0.00 C ATOM 351 O ILE A 34 5.342 4.239 6.641 1.00 0.00 O ATOM 352 CB ILE A 34 5.885 1.153 7.758 1.00 0.00 C ATOM 353 CG1 ILE A 34 5.732 -0.363 7.609 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.029 1.679 8.893 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.398 -1.075 8.901 1.00 0.00 C ATOM 0 H ILE A 34 6.379 0.187 5.537 1.00 0.00 H new ATOM 0 HA ILE A 34 4.418 1.907 6.366 1.00 0.00 H new ATOM 0 HB ILE A 34 6.928 1.367 7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.949 -0.569 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.658 -0.774 7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.306 1.177 9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.186 2.752 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.978 1.486 8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.306 -2.145 8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.191 -0.901 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.456 -0.693 9.294 1.00 0.00 H new ATOM 367 N SER A 35 7.380 3.375 6.229 1.00 0.00 N ATOM 368 CA SER A 35 8.043 4.673 6.202 1.00 0.00 C ATOM 369 C SER A 35 7.241 5.667 5.371 1.00 0.00 C ATOM 370 O SER A 35 7.033 6.810 5.778 1.00 0.00 O ATOM 371 CB SER A 35 9.457 4.537 5.636 1.00 0.00 C ATOM 372 OG SER A 35 9.936 5.781 5.153 1.00 0.00 O ATOM 0 H SER A 35 7.999 2.581 6.068 1.00 0.00 H new ATOM 0 HA SER A 35 8.107 5.046 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.127 4.162 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.460 3.805 4.829 1.00 0.00 H new ATOM 0 HG SER A 35 10.842 5.667 4.798 1.00 0.00 H new ATOM 378 N LEU A 36 6.787 5.218 4.206 1.00 0.00 N ATOM 379 CA LEU A 36 6.000 6.062 3.317 1.00 0.00 C ATOM 380 C LEU A 36 4.627 6.339 3.919 1.00 0.00 C ATOM 381 O LEU A 36 3.963 7.310 3.557 1.00 0.00 O ATOM 382 CB LEU A 36 5.844 5.393 1.949 1.00 0.00 C ATOM 383 CG LEU A 36 7.133 5.279 1.133 1.00 0.00 C ATOM 384 CD1 LEU A 36 6.855 4.636 -0.216 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.771 6.648 0.953 1.00 0.00 C ATOM 0 H LEU A 36 6.951 4.274 3.856 1.00 0.00 H new ATOM 0 HA LEU A 36 6.524 7.009 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.435 4.393 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.113 5.955 1.368 1.00 0.00 H new ATOM 0 HG LEU A 36 7.831 4.643 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.783 4.563 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.443 3.638 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.139 5.245 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.687 6.549 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.078 7.307 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.006 7.071 1.930 1.00 0.00 H new ATOM 397 N GLY A 37 4.212 5.479 4.843 1.00 0.00 N ATOM 398 CA GLY A 37 2.923 5.644 5.487 1.00 0.00 C ATOM 399 C GLY A 37 2.992 6.549 6.701 1.00 0.00 C ATOM 400 O GLY A 37 2.012 7.205 7.051 1.00 0.00 O ATOM 0 H GLY A 37 4.747 4.669 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.213 6.056 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.543 4.668 5.787 1.00 0.00 H new ATOM 404 N LEU A 38 4.154 6.583 7.346 1.00 0.00 N ATOM 405 CA LEU A 38 4.346 7.413 8.530 1.00 0.00 C ATOM 406 C LEU A 38 3.677 8.772 8.350 1.00 0.00 C ATOM 407 O LEU A 38 2.875 9.196 9.184 1.00 0.00 O ATOM 408 CB LEU A 38 5.837 7.596 8.817 1.00 0.00 C ATOM 409 CG LEU A 38 6.313 7.022 10.152 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.859 5.578 10.303 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.827 7.122 10.264 1.00 0.00 C ATOM 0 H LEU A 38 4.976 6.046 7.069 1.00 0.00 H new ATOM 0 HA LEU A 38 3.883 6.908 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.406 7.128 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.068 8.661 8.793 1.00 0.00 H new ATOM 0 HG LEU A 38 5.869 7.607 10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.206 5.185 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.771 5.533 10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.274 4.979 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.149 6.709 11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.290 6.561 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.128 8.168 10.200 1.00 0.00 H new ATOM 423 N PRO A 39 3.995 9.472 7.250 1.00 0.00 N ATOM 424 CA PRO A 39 3.421 10.789 6.955 1.00 0.00 C ATOM 425 C PRO A 39 1.922 10.707 6.694 1.00 0.00 C ATOM 426 O PRO A 39 1.169 11.619 7.037 1.00 0.00 O ATOM 427 CB PRO A 39 4.158 11.237 5.684 1.00 0.00 C ATOM 428 CG PRO A 39 5.339 10.331 5.568 1.00 0.00 C ATOM 429 CD PRO A 39 4.933 9.036 6.210 1.00 0.00 C ATOM 0 HA PRO A 39 3.539 11.480 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.514 11.157 4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.469 12.279 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.613 10.180 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.209 10.758 6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.461 8.361 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.788 8.507 6.632 1.00 0.00 H new ATOM 437 N PHE A 40 1.500 9.606 6.085 1.00 0.00 N ATOM 438 CA PHE A 40 0.093 9.392 5.771 1.00 0.00 C ATOM 439 C PHE A 40 -0.732 9.256 7.045 1.00 0.00 C ATOM 440 O PHE A 40 -1.851 9.762 7.131 1.00 0.00 O ATOM 441 CB PHE A 40 -0.062 8.140 4.906 1.00 0.00 C ATOM 442 CG PHE A 40 0.741 8.198 3.638 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.139 9.417 3.115 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.102 7.037 2.975 1.00 0.00 C ATOM 445 CE1 PHE A 40 1.881 9.478 1.953 1.00 0.00 C ATOM 446 CE2 PHE A 40 1.846 7.092 1.811 1.00 0.00 C ATOM 447 CZ PHE A 40 2.236 8.315 1.299 1.00 0.00 C ATOM 0 H PHE A 40 2.115 8.845 5.798 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.274 10.257 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.243 7.267 5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.115 8.006 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.866 10.330 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.799 6.079 3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.184 10.435 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.122 6.180 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.817 8.361 0.390 1.00 0.00 H new ATOM 457 N GLY A 41 -0.170 8.571 8.034 1.00 0.00 N ATOM 458 CA GLY A 41 -0.863 8.382 9.293 1.00 0.00 C ATOM 459 C GLY A 41 -0.226 7.306 10.147 1.00 0.00 C ATOM 460 O GLY A 41 0.765 7.557 10.834 1.00 0.00 O ATOM 0 H GLY A 41 0.755 8.143 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.872 9.322 9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.902 8.118 9.097 1.00 0.00 H new ATOM 464 N LYS A 42 -0.790 6.106 10.103 1.00 0.00 N ATOM 465 CA LYS A 42 -0.267 4.988 10.878 1.00 0.00 C ATOM 466 C LYS A 42 -0.546 3.663 10.179 1.00 0.00 C ATOM 467 O LYS A 42 -1.611 3.472 9.593 1.00 0.00 O ATOM 468 CB LYS A 42 -0.881 4.980 12.280 1.00 0.00 C ATOM 469 CG LYS A 42 0.135 5.192 13.391 1.00 0.00 C ATOM 470 CD LYS A 42 0.992 6.421 13.136 1.00 0.00 C ATOM 471 CE LYS A 42 1.905 6.717 14.314 1.00 0.00 C ATOM 472 NZ LYS A 42 2.017 8.179 14.577 1.00 0.00 N ATOM 0 H LYS A 42 -1.610 5.882 9.539 1.00 0.00 H new ATOM 0 HA LYS A 42 0.813 5.111 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.640 5.760 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.388 4.029 12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.384 5.300 14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.774 4.313 13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.592 6.268 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.350 7.281 12.947 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.523 6.216 15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.896 6.307 14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.648 8.338 15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.405 8.654 13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.076 8.567 14.790 1.00 0.00 H new ATOM 486 N VAL A 43 0.415 2.749 10.247 1.00 0.00 N ATOM 487 CA VAL A 43 0.269 1.441 9.624 1.00 0.00 C ATOM 488 C VAL A 43 -0.384 0.453 10.582 1.00 0.00 C ATOM 489 O VAL A 43 0.299 -0.278 11.300 1.00 0.00 O ATOM 490 CB VAL A 43 1.627 0.880 9.164 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.492 -0.578 8.752 1.00 0.00 C ATOM 492 CG2 VAL A 43 2.190 1.715 8.024 1.00 0.00 C ATOM 0 H VAL A 43 1.303 2.891 10.728 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.369 1.573 8.750 1.00 0.00 H new ATOM 0 HB VAL A 43 2.324 0.932 10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.462 -0.956 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.137 -1.164 9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.780 -0.660 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.150 1.304 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.497 1.697 7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.327 2.743 8.359 1.00 0.00 H new ATOM 502 N THR A 44 -1.711 0.442 10.591 1.00 0.00 N ATOM 503 CA THR A 44 -2.466 -0.448 11.463 1.00 0.00 C ATOM 504 C THR A 44 -2.554 -1.855 10.878 1.00 0.00 C ATOM 505 O THR A 44 -3.263 -2.713 11.406 1.00 0.00 O ATOM 506 CB THR A 44 -3.888 0.094 11.707 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.184 1.121 10.761 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.024 0.638 13.120 1.00 0.00 C ATOM 0 H THR A 44 -2.288 1.042 10.002 1.00 0.00 H new ATOM 0 HA THR A 44 -1.933 -0.495 12.413 1.00 0.00 H new ATOM 0 HB THR A 44 -4.595 -0.726 11.584 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.527 1.844 10.846 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.036 1.015 13.269 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.824 -0.158 13.837 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.310 1.448 13.268 1.00 0.00 H new ATOM 516 N ASN A 45 -1.827 -2.088 9.789 1.00 0.00 N ATOM 517 CA ASN A 45 -1.820 -3.394 9.139 1.00 0.00 C ATOM 518 C ASN A 45 -1.095 -3.334 7.797 1.00 0.00 C ATOM 519 O ASN A 45 -1.278 -2.395 7.023 1.00 0.00 O ATOM 520 CB ASN A 45 -3.251 -3.893 8.935 1.00 0.00 C ATOM 521 CG ASN A 45 -3.519 -5.194 9.666 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.634 -6.041 9.792 1.00 0.00 O ATOM 523 ND2 ASN A 45 -4.743 -5.360 10.152 1.00 0.00 N ATOM 0 H ASN A 45 -1.236 -1.390 9.339 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.287 -4.090 9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.951 -3.133 9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.436 -4.033 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.981 -6.216 10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.446 -4.632 10.024 1.00 0.00 H new ATOM 530 N LEU A 46 -0.274 -4.344 7.528 1.00 0.00 N ATOM 531 CA LEU A 46 0.478 -4.409 6.278 1.00 0.00 C ATOM 532 C LEU A 46 0.680 -5.856 5.840 1.00 0.00 C ATOM 533 O LEU A 46 1.582 -6.542 6.320 1.00 0.00 O ATOM 534 CB LEU A 46 1.835 -3.715 6.435 1.00 0.00 C ATOM 535 CG LEU A 46 2.857 -4.023 5.336 1.00 0.00 C ATOM 536 CD1 LEU A 46 3.740 -5.192 5.741 1.00 0.00 C ATOM 537 CD2 LEU A 46 2.154 -4.315 4.018 1.00 0.00 C ATOM 0 H LEU A 46 -0.112 -5.129 8.158 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.098 -3.893 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.672 -2.638 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.262 -4.001 7.396 1.00 0.00 H new ATOM 0 HG LEU A 46 3.490 -3.146 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.460 -5.396 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.272 -4.945 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.122 -6.075 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.896 -4.531 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.496 -5.175 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.565 -3.447 3.720 1.00 0.00 H new ATOM 549 N LEU A 47 -0.166 -6.312 4.921 1.00 0.00 N ATOM 550 CA LEU A 47 -0.081 -7.677 4.413 1.00 0.00 C ATOM 551 C LEU A 47 0.672 -7.716 3.087 1.00 0.00 C ATOM 552 O LEU A 47 0.630 -6.761 2.311 1.00 0.00 O ATOM 553 CB LEU A 47 -1.483 -8.264 4.235 1.00 0.00 C ATOM 554 CG LEU A 47 -1.529 -9.778 4.020 1.00 0.00 C ATOM 555 CD1 LEU A 47 -2.747 -10.377 4.705 1.00 0.00 C ATOM 556 CD2 LEU A 47 -1.536 -10.104 2.535 1.00 0.00 C ATOM 0 H LEU A 47 -0.918 -5.756 4.513 1.00 0.00 H new ATOM 0 HA LEU A 47 0.467 -8.277 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.077 -8.019 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.959 -7.777 3.384 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.636 -10.217 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.763 -11.455 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.700 -10.173 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.652 -9.933 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.569 -11.185 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.411 -9.653 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.633 -9.708 2.071 1.00 0.00 H new ATOM 568 N MET A 48 1.360 -8.824 2.833 1.00 0.00 N ATOM 569 CA MET A 48 2.124 -8.983 1.601 1.00 0.00 C ATOM 570 C MET A 48 1.714 -10.251 0.859 1.00 0.00 C ATOM 571 O MET A 48 1.987 -11.364 1.313 1.00 0.00 O ATOM 572 CB MET A 48 3.622 -9.022 1.909 1.00 0.00 C ATOM 573 CG MET A 48 4.196 -7.677 2.321 1.00 0.00 C ATOM 574 SD MET A 48 5.911 -7.791 2.864 1.00 0.00 S ATOM 575 CE MET A 48 6.677 -6.541 1.835 1.00 0.00 C ATOM 0 H MET A 48 1.404 -9.625 3.463 1.00 0.00 H new ATOM 0 HA MET A 48 1.911 -8.127 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.801 -9.743 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.156 -9.381 1.029 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.130 -6.986 1.481 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.591 -7.259 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.647 -6.898 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.039 -6.336 0.975 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.812 -5.627 2.413 1.00 0.00 H new ATOM 585 N LEU A 49 1.059 -10.078 -0.285 1.00 0.00 N ATOM 586 CA LEU A 49 0.615 -11.211 -1.090 1.00 0.00 C ATOM 587 C LEU A 49 1.705 -11.639 -2.069 1.00 0.00 C ATOM 588 O LEU A 49 1.841 -11.068 -3.153 1.00 0.00 O ATOM 589 CB LEU A 49 -0.661 -10.853 -1.854 1.00 0.00 C ATOM 590 CG LEU A 49 -1.293 -12.006 -2.637 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.296 -12.753 -1.771 1.00 0.00 C ATOM 592 CD2 LEU A 49 -1.960 -11.487 -3.902 1.00 0.00 C ATOM 0 H LEU A 49 0.824 -9.165 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 49 0.405 -12.043 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.395 -10.470 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.436 -10.043 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.504 -12.701 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.735 -13.569 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.790 -13.157 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.083 -12.069 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.404 -12.320 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.738 -10.771 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.216 -10.997 -4.531 1.00 0.00 H new ATOM 604 N LYS A 50 2.479 -12.648 -1.677 1.00 0.00 N ATOM 605 CA LYS A 50 3.561 -13.155 -2.512 1.00 0.00 C ATOM 606 C LYS A 50 3.021 -13.985 -3.674 1.00 0.00 C ATOM 607 O LYS A 50 3.787 -14.505 -4.484 1.00 0.00 O ATOM 608 CB LYS A 50 4.527 -13.997 -1.675 1.00 0.00 C ATOM 609 CG LYS A 50 4.759 -13.451 -0.274 1.00 0.00 C ATOM 610 CD LYS A 50 6.123 -12.791 -0.151 1.00 0.00 C ATOM 611 CE LYS A 50 6.098 -11.638 0.840 1.00 0.00 C ATOM 612 NZ LYS A 50 6.831 -11.967 2.094 1.00 0.00 N ATOM 0 H LYS A 50 2.375 -13.130 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 50 4.095 -12.298 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.138 -15.012 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.484 -14.060 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.981 -12.728 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.679 -14.261 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.858 -13.530 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.441 -12.426 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.542 -10.755 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.065 -11.387 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.790 -11.155 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.392 -12.794 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.824 -12.182 1.870 1.00 0.00 H new ATOM 626 N GLY A 51 1.699 -14.104 -3.751 1.00 0.00 N ATOM 627 CA GLY A 51 1.088 -14.870 -4.822 1.00 0.00 C ATOM 628 C GLY A 51 1.337 -14.256 -6.187 1.00 0.00 C ATOM 629 O GLY A 51 1.031 -14.865 -7.212 1.00 0.00 O ATOM 0 H GLY A 51 1.042 -13.685 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.480 -15.887 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.014 -14.940 -4.648 1.00 0.00 H new ATOM 633 N LYS A 52 1.892 -13.050 -6.198 1.00 0.00 N ATOM 634 CA LYS A 52 2.182 -12.353 -7.447 1.00 0.00 C ATOM 635 C LYS A 52 3.218 -11.254 -7.232 1.00 0.00 C ATOM 636 O LYS A 52 4.322 -11.316 -7.770 1.00 0.00 O ATOM 637 CB LYS A 52 0.899 -11.754 -8.029 1.00 0.00 C ATOM 638 CG LYS A 52 0.980 -11.473 -9.520 1.00 0.00 C ATOM 639 CD LYS A 52 -0.282 -11.919 -10.240 1.00 0.00 C ATOM 640 CE LYS A 52 -1.504 -11.164 -9.741 1.00 0.00 C ATOM 641 NZ LYS A 52 -2.293 -10.580 -10.860 1.00 0.00 N ATOM 0 H LYS A 52 2.150 -12.534 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 52 2.591 -13.077 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.071 -12.438 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.671 -10.826 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.135 -10.406 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.843 -11.989 -9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.167 -11.759 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.428 -12.989 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.137 -11.839 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.188 -10.369 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.117 -10.074 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.697 -9.916 -11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.617 -11.341 -11.491 1.00 0.00 H new ATOM 655 N ASN A 53 2.848 -10.248 -6.443 1.00 0.00 N ATOM 656 CA ASN A 53 3.735 -9.125 -6.148 1.00 0.00 C ATOM 657 C ASN A 53 2.927 -7.889 -5.776 1.00 0.00 C ATOM 658 O ASN A 53 3.218 -6.785 -6.235 1.00 0.00 O ATOM 659 CB ASN A 53 4.629 -8.812 -7.350 1.00 0.00 C ATOM 660 CG ASN A 53 6.025 -9.391 -7.210 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.979 -8.883 -7.800 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.155 -10.462 -6.432 1.00 0.00 N ATOM 0 H ASN A 53 1.934 -10.188 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 53 4.364 -9.406 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.166 -9.207 -8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.699 -7.731 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.071 -10.893 -6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.339 -10.852 -5.961 1.00 0.00 H new ATOM 669 N GLN A 54 1.910 -8.082 -4.944 1.00 0.00 N ATOM 670 CA GLN A 54 1.060 -6.978 -4.516 1.00 0.00 C ATOM 671 C GLN A 54 0.896 -6.967 -3.001 1.00 0.00 C ATOM 672 O GLN A 54 0.623 -7.998 -2.388 1.00 0.00 O ATOM 673 CB GLN A 54 -0.310 -7.072 -5.188 1.00 0.00 C ATOM 674 CG GLN A 54 -0.242 -7.094 -6.707 1.00 0.00 C ATOM 675 CD GLN A 54 -1.521 -7.608 -7.341 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.082 -8.613 -6.906 1.00 0.00 O ATOM 677 NE2 GLN A 54 -1.988 -6.917 -8.374 1.00 0.00 N ATOM 0 H GLN A 54 1.655 -8.989 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 54 1.542 -6.047 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.814 -7.974 -4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.919 -6.225 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.039 -6.087 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.592 -7.722 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.490 -6.089 -8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.845 -7.214 -8.841 1.00 0.00 H new ATOM 686 N ALA A 55 1.059 -5.791 -2.405 1.00 0.00 N ATOM 687 CA ALA A 55 0.924 -5.641 -0.962 1.00 0.00 C ATOM 688 C ALA A 55 -0.337 -4.857 -0.617 1.00 0.00 C ATOM 689 O ALA A 55 -0.915 -4.189 -1.474 1.00 0.00 O ATOM 690 CB ALA A 55 2.151 -4.952 -0.383 1.00 0.00 C ATOM 0 H ALA A 55 1.285 -4.928 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 55 0.841 -6.634 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.035 -4.847 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.038 -5.549 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.261 -3.965 -0.833 1.00 0.00 H new ATOM 696 N PHE A 56 -0.762 -4.945 0.637 1.00 0.00 N ATOM 697 CA PHE A 56 -1.960 -4.245 1.082 1.00 0.00 C ATOM 698 C PHE A 56 -1.842 -3.828 2.544 1.00 0.00 C ATOM 699 O PHE A 56 -1.769 -4.673 3.435 1.00 0.00 O ATOM 700 CB PHE A 56 -3.195 -5.130 0.896 1.00 0.00 C ATOM 701 CG PHE A 56 -3.104 -6.059 -0.283 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.108 -7.020 -0.354 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.021 -5.972 -1.319 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.027 -7.875 -1.436 1.00 0.00 C ATOM 705 CE2 PHE A 56 -3.944 -6.825 -2.404 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.946 -7.778 -2.463 1.00 0.00 C ATOM 0 H PHE A 56 -0.297 -5.492 1.361 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.066 -3.347 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.348 -5.719 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.072 -4.494 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.387 -7.101 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.804 -5.230 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.245 -8.619 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.664 -6.746 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.884 -8.446 -3.310 1.00 0.00 H new ATOM 716 N ILE A 57 -1.835 -2.520 2.784 1.00 0.00 N ATOM 717 CA ILE A 57 -1.738 -1.999 4.141 1.00 0.00 C ATOM 718 C ILE A 57 -3.035 -1.315 4.551 1.00 0.00 C ATOM 719 O ILE A 57 -3.632 -0.573 3.770 1.00 0.00 O ATOM 720 CB ILE A 57 -0.572 -1.003 4.295 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.848 0.281 3.509 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.729 -1.640 3.836 1.00 0.00 C ATOM 723 CD1 ILE A 57 0.023 1.446 3.932 1.00 0.00 C ATOM 0 H ILE A 57 -1.895 -1.805 2.059 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.551 -2.853 4.792 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.479 -0.742 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.693 0.088 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.895 0.556 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.544 -0.925 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.934 -2.524 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.643 -1.928 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.226 2.323 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.149 1.665 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.072 1.190 3.781 1.00 0.00 H new ATOM 735 N GLU A 58 -3.466 -1.570 5.778 1.00 0.00 N ATOM 736 CA GLU A 58 -4.694 -0.978 6.290 1.00 0.00 C ATOM 737 C GLU A 58 -4.390 0.267 7.113 1.00 0.00 C ATOM 738 O GLU A 58 -3.964 0.175 8.264 1.00 0.00 O ATOM 739 CB GLU A 58 -5.462 -1.992 7.140 1.00 0.00 C ATOM 740 CG GLU A 58 -6.951 -2.033 6.840 1.00 0.00 C ATOM 741 CD GLU A 58 -7.434 -3.423 6.475 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.667 -4.231 7.397 1.00 0.00 O ATOM 743 OE2 GLU A 58 -7.581 -3.701 5.266 1.00 0.00 O ATOM 0 H GLU A 58 -2.985 -2.182 6.437 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.312 -0.690 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.040 -2.984 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.319 -1.753 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.503 -1.677 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.172 -1.349 6.021 1.00 0.00 H new ATOM 750 N MET A 59 -4.613 1.433 6.516 1.00 0.00 N ATOM 751 CA MET A 59 -4.363 2.696 7.196 1.00 0.00 C ATOM 752 C MET A 59 -5.333 2.883 8.355 1.00 0.00 C ATOM 753 O MET A 59 -6.549 2.834 8.174 1.00 0.00 O ATOM 754 CB MET A 59 -4.481 3.863 6.214 1.00 0.00 C ATOM 755 CG MET A 59 -3.476 3.807 5.073 1.00 0.00 C ATOM 756 SD MET A 59 -1.924 3.017 5.543 1.00 0.00 S ATOM 757 CE MET A 59 -1.040 4.396 6.267 1.00 0.00 C ATOM 0 H MET A 59 -4.966 1.528 5.564 1.00 0.00 H new ATOM 0 HA MET A 59 -3.349 2.675 7.594 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.489 3.876 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.348 4.798 6.758 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.915 3.265 4.235 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.272 4.820 4.725 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.013 4.136 6.377 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.133 5.268 5.619 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.461 4.625 7.246 1.00 0.00 H new ATOM 767 N ASN A 60 -4.784 3.090 9.547 1.00 0.00 N ATOM 768 CA ASN A 60 -5.598 3.278 10.742 1.00 0.00 C ATOM 769 C ASN A 60 -6.872 4.048 10.413 1.00 0.00 C ATOM 770 O ASN A 60 -7.920 3.824 11.019 1.00 0.00 O ATOM 771 CB ASN A 60 -4.806 4.034 11.809 1.00 0.00 C ATOM 772 CG ASN A 60 -3.580 3.286 12.292 1.00 0.00 C ATOM 773 OD1 ASN A 60 -2.779 2.795 11.497 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.423 3.209 13.608 1.00 0.00 N ATOM 0 H ASN A 60 -3.778 3.132 9.711 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.870 2.294 11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.498 4.999 11.407 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.457 4.236 12.659 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.612 2.728 13.998 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.113 3.631 14.229 1.00 0.00 H new ATOM 781 N THR A 61 -6.769 4.957 9.450 1.00 0.00 N ATOM 782 CA THR A 61 -7.909 5.767 9.039 1.00 0.00 C ATOM 783 C THR A 61 -7.874 6.037 7.539 1.00 0.00 C ATOM 784 O THR A 61 -6.935 5.642 6.850 1.00 0.00 O ATOM 785 CB THR A 61 -7.938 7.109 9.794 1.00 0.00 C ATOM 786 OG1 THR A 61 -8.446 8.143 8.943 1.00 0.00 O ATOM 787 CG2 THR A 61 -6.546 7.483 10.279 1.00 0.00 C ATOM 0 H THR A 61 -5.908 5.151 8.939 1.00 0.00 H new ATOM 0 HA THR A 61 -8.809 5.203 9.281 1.00 0.00 H new ATOM 0 HB THR A 61 -8.593 7.000 10.659 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.462 8.992 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.589 8.434 10.810 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.175 6.709 10.951 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.875 7.574 9.425 1.00 0.00 H new ATOM 795 N GLU A 62 -8.903 6.713 7.038 1.00 0.00 N ATOM 796 CA GLU A 62 -8.987 7.032 5.618 1.00 0.00 C ATOM 797 C GLU A 62 -7.992 8.128 5.245 1.00 0.00 C ATOM 798 O GLU A 62 -7.302 8.032 4.232 1.00 0.00 O ATOM 799 CB GLU A 62 -10.407 7.470 5.254 1.00 0.00 C ATOM 800 CG GLU A 62 -11.423 6.341 5.305 1.00 0.00 C ATOM 801 CD GLU A 62 -12.505 6.577 6.340 1.00 0.00 C ATOM 802 OE1 GLU A 62 -13.090 7.680 6.347 1.00 0.00 O ATOM 803 OE2 GLU A 62 -12.767 5.657 7.144 1.00 0.00 O ATOM 0 H GLU A 62 -9.689 7.050 7.594 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.737 6.133 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.720 8.261 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.401 7.897 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.883 6.227 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.910 5.405 5.528 1.00 0.00 H new ATOM 810 N GLU A 63 -7.926 9.167 6.070 1.00 0.00 N ATOM 811 CA GLU A 63 -7.015 10.279 5.825 1.00 0.00 C ATOM 812 C GLU A 63 -5.601 9.776 5.555 1.00 0.00 C ATOM 813 O GLU A 63 -4.803 10.453 4.905 1.00 0.00 O ATOM 814 CB GLU A 63 -7.009 11.234 7.019 1.00 0.00 C ATOM 815 CG GLU A 63 -8.079 12.312 6.941 1.00 0.00 C ATOM 816 CD GLU A 63 -7.532 13.697 7.229 1.00 0.00 C ATOM 817 OE1 GLU A 63 -7.018 13.911 8.347 1.00 0.00 O ATOM 818 OE2 GLU A 63 -7.618 14.566 6.337 1.00 0.00 O ATOM 0 H GLU A 63 -8.492 9.263 6.913 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.365 10.814 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.150 10.659 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.031 11.709 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.528 12.302 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.873 12.083 7.652 1.00 0.00 H new ATOM 825 N ALA A 64 -5.296 8.584 6.057 1.00 0.00 N ATOM 826 CA ALA A 64 -3.979 7.989 5.871 1.00 0.00 C ATOM 827 C ALA A 64 -3.881 7.278 4.525 1.00 0.00 C ATOM 828 O ALA A 64 -2.933 7.487 3.767 1.00 0.00 O ATOM 829 CB ALA A 64 -3.673 7.022 7.006 1.00 0.00 C ATOM 0 H ALA A 64 -5.945 8.011 6.597 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.240 8.791 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.686 6.584 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.691 7.558 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.422 6.231 7.022 1.00 0.00 H new ATOM 835 N ALA A 65 -4.865 6.433 4.235 1.00 0.00 N ATOM 836 CA ALA A 65 -4.889 5.688 2.982 1.00 0.00 C ATOM 837 C ALA A 65 -5.050 6.619 1.785 1.00 0.00 C ATOM 838 O ALA A 65 -4.552 6.336 0.694 1.00 0.00 O ATOM 839 CB ALA A 65 -6.010 4.661 3.006 1.00 0.00 C ATOM 0 H ALA A 65 -5.656 6.247 4.851 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.934 5.173 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.019 4.110 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.850 3.967 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.966 5.168 3.138 1.00 0.00 H new ATOM 845 N ASN A 66 -5.750 7.729 1.994 1.00 0.00 N ATOM 846 CA ASN A 66 -5.979 8.699 0.931 1.00 0.00 C ATOM 847 C ASN A 66 -4.685 9.428 0.572 1.00 0.00 C ATOM 848 O ASN A 66 -4.278 9.453 -0.589 1.00 0.00 O ATOM 849 CB ASN A 66 -7.073 9.692 1.362 1.00 0.00 C ATOM 850 CG ASN A 66 -6.835 11.105 0.862 1.00 0.00 C ATOM 851 OD1 ASN A 66 -7.407 11.527 -0.143 1.00 0.00 O ATOM 852 ND2 ASN A 66 -5.985 11.841 1.566 1.00 0.00 N ATOM 0 H ASN A 66 -6.168 7.979 2.890 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.317 8.173 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.037 9.342 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.133 9.705 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.782 12.799 1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.534 11.449 2.393 1.00 0.00 H new ATOM 859 N THR A 67 -4.044 10.022 1.574 1.00 0.00 N ATOM 860 CA THR A 67 -2.801 10.751 1.359 1.00 0.00 C ATOM 861 C THR A 67 -1.745 9.864 0.710 1.00 0.00 C ATOM 862 O THR A 67 -0.807 10.355 0.083 1.00 0.00 O ATOM 863 CB THR A 67 -2.239 11.312 2.678 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.089 12.355 3.169 1.00 0.00 O ATOM 865 CG2 THR A 67 -0.831 11.850 2.478 1.00 0.00 C ATOM 0 H THR A 67 -4.366 10.012 2.542 1.00 0.00 H new ATOM 0 HA THR A 67 -3.037 11.580 0.691 1.00 0.00 H new ATOM 0 HB THR A 67 -2.202 10.502 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.747 11.976 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.453 12.241 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.180 11.047 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.848 12.648 1.736 1.00 0.00 H new ATOM 873 N MET A 68 -1.902 8.555 0.867 1.00 0.00 N ATOM 874 CA MET A 68 -0.957 7.600 0.299 1.00 0.00 C ATOM 875 C MET A 68 -1.048 7.578 -1.223 1.00 0.00 C ATOM 876 O MET A 68 -0.099 7.947 -1.915 1.00 0.00 O ATOM 877 CB MET A 68 -1.218 6.200 0.857 1.00 0.00 C ATOM 878 CG MET A 68 -0.158 5.183 0.467 1.00 0.00 C ATOM 879 SD MET A 68 0.299 4.099 1.834 1.00 0.00 S ATOM 880 CE MET A 68 2.043 3.855 1.506 1.00 0.00 C ATOM 0 H MET A 68 -2.673 8.131 1.382 1.00 0.00 H new ATOM 0 HA MET A 68 0.048 7.915 0.578 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.274 6.256 1.944 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.190 5.853 0.505 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.526 4.580 -0.363 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.729 5.707 0.111 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.240 2.794 1.355 1.00 0.00 H new ATOM 0 HE2 MET A 68 2.325 4.408 0.610 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.626 4.215 2.353 1.00 0.00 H new ATOM 890 N VAL A 69 -2.193 7.145 -1.738 1.00 0.00 N ATOM 891 CA VAL A 69 -2.403 7.075 -3.179 1.00 0.00 C ATOM 892 C VAL A 69 -2.460 8.467 -3.798 1.00 0.00 C ATOM 893 O VAL A 69 -1.796 8.739 -4.800 1.00 0.00 O ATOM 894 CB VAL A 69 -3.702 6.322 -3.522 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.805 6.087 -5.021 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.774 5.006 -2.762 1.00 0.00 C ATOM 0 H VAL A 69 -2.989 6.837 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.554 6.531 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.548 6.938 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.729 5.554 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.805 7.045 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.954 5.493 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.699 4.488 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.922 4.382 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.753 5.203 -1.690 1.00 0.00 H new ATOM 906 N ASN A 70 -3.257 9.344 -3.199 1.00 0.00 N ATOM 907 CA ASN A 70 -3.402 10.709 -3.694 1.00 0.00 C ATOM 908 C ASN A 70 -2.042 11.380 -3.856 1.00 0.00 C ATOM 909 O ASN A 70 -1.806 12.098 -4.827 1.00 0.00 O ATOM 910 CB ASN A 70 -4.278 11.527 -2.743 1.00 0.00 C ATOM 911 CG ASN A 70 -5.316 12.352 -3.479 1.00 0.00 C ATOM 912 OD1 ASN A 70 -6.500 12.325 -3.141 1.00 0.00 O ATOM 913 ND2 ASN A 70 -4.876 13.089 -4.492 1.00 0.00 N ATOM 0 H ASN A 70 -3.813 9.135 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.881 10.664 -4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.779 10.855 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.646 12.188 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.528 13.664 -5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.886 13.080 -4.737 1.00 0.00 H new ATOM 920 N TYR A 71 -1.152 11.143 -2.899 1.00 0.00 N ATOM 921 CA TYR A 71 0.184 11.728 -2.939 1.00 0.00 C ATOM 922 C TYR A 71 1.001 11.142 -4.086 1.00 0.00 C ATOM 923 O TYR A 71 1.678 11.869 -4.814 1.00 0.00 O ATOM 924 CB TYR A 71 0.908 11.493 -1.612 1.00 0.00 C ATOM 925 CG TYR A 71 2.366 11.893 -1.641 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.806 12.922 -2.463 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.301 11.241 -0.848 1.00 0.00 C ATOM 928 CE1 TYR A 71 4.137 13.291 -2.495 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.635 11.604 -0.873 1.00 0.00 C ATOM 930 CZ TYR A 71 5.047 12.629 -1.698 1.00 0.00 C ATOM 931 OH TYR A 71 6.373 12.994 -1.726 1.00 0.00 O ATOM 0 H TYR A 71 -1.330 10.551 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 71 0.078 12.800 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.401 12.054 -0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.834 10.438 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.096 13.443 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.981 10.437 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.463 14.093 -3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.350 11.088 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 71 6.881 12.430 -1.106 1.00 0.00 H new ATOM 941 N TYR A 72 0.936 9.824 -4.240 1.00 0.00 N ATOM 942 CA TYR A 72 1.672 9.141 -5.299 1.00 0.00 C ATOM 943 C TYR A 72 0.875 9.133 -6.599 1.00 0.00 C ATOM 944 O TYR A 72 1.216 8.418 -7.542 1.00 0.00 O ATOM 945 CB TYR A 72 2.001 7.708 -4.878 1.00 0.00 C ATOM 946 CG TYR A 72 2.830 7.626 -3.616 1.00 0.00 C ATOM 947 CD1 TYR A 72 4.065 8.258 -3.533 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.377 6.921 -2.510 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.825 8.188 -2.382 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.131 6.847 -1.354 1.00 0.00 C ATOM 951 CZ TYR A 72 4.354 7.482 -1.296 1.00 0.00 C ATOM 952 OH TYR A 72 5.108 7.411 -0.147 1.00 0.00 O ATOM 0 H TYR A 72 0.382 9.207 -3.646 1.00 0.00 H new ATOM 0 HA TYR A 72 2.602 9.684 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.071 7.159 -4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.537 7.214 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.436 8.813 -4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.420 6.422 -2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.783 8.684 -2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.765 6.295 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 72 4.590 7.762 0.607 1.00 0.00 H new ATOM 962 N THR A 73 -0.184 9.934 -6.643 1.00 0.00 N ATOM 963 CA THR A 73 -1.025 10.019 -7.831 1.00 0.00 C ATOM 964 C THR A 73 -0.259 10.629 -8.999 1.00 0.00 C ATOM 965 O THR A 73 -0.696 10.558 -10.148 1.00 0.00 O ATOM 966 CB THR A 73 -2.288 10.859 -7.566 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.118 10.205 -6.598 1.00 0.00 O ATOM 968 CG2 THR A 73 -3.075 11.075 -8.851 1.00 0.00 C ATOM 0 H THR A 73 -0.480 10.532 -5.872 1.00 0.00 H new ATOM 0 HA THR A 73 -1.322 9.001 -8.084 1.00 0.00 H new ATOM 0 HB THR A 73 -1.976 11.830 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.631 9.451 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.963 11.671 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.452 11.599 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.375 10.110 -9.260 1.00 0.00 H new ATOM 976 N SER A 74 0.888 11.229 -8.697 1.00 0.00 N ATOM 977 CA SER A 74 1.719 11.853 -9.719 1.00 0.00 C ATOM 978 C SER A 74 3.155 11.344 -9.636 1.00 0.00 C ATOM 979 O SER A 74 3.801 11.108 -10.657 1.00 0.00 O ATOM 980 CB SER A 74 1.697 13.374 -9.566 1.00 0.00 C ATOM 981 OG SER A 74 0.381 13.844 -9.332 1.00 0.00 O ATOM 0 H SER A 74 1.263 11.296 -7.751 1.00 0.00 H new ATOM 0 HA SER A 74 1.312 11.587 -10.695 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.344 13.669 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.098 13.839 -10.467 1.00 0.00 H new ATOM 0 HG SER A 74 0.394 14.819 -9.236 1.00 0.00 H new ATOM 987 N VAL A 75 3.647 11.177 -8.414 1.00 0.00 N ATOM 988 CA VAL A 75 5.006 10.696 -8.195 1.00 0.00 C ATOM 989 C VAL A 75 5.003 9.270 -7.652 1.00 0.00 C ATOM 990 O VAL A 75 4.189 8.924 -6.796 1.00 0.00 O ATOM 991 CB VAL A 75 5.769 11.604 -7.214 1.00 0.00 C ATOM 992 CG1 VAL A 75 4.963 11.812 -5.941 1.00 0.00 C ATOM 993 CG2 VAL A 75 7.137 11.018 -6.898 1.00 0.00 C ATOM 0 H VAL A 75 3.125 11.368 -7.559 1.00 0.00 H new ATOM 0 HA VAL A 75 5.509 10.713 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 75 5.916 12.576 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.519 12.456 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.010 12.280 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.782 10.849 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.662 11.673 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.016 10.033 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.715 10.927 -7.818 1.00 0.00 H new ATOM 1003 N THR A 76 5.917 8.447 -8.156 1.00 0.00 N ATOM 1004 CA THR A 76 6.018 7.063 -7.723 1.00 0.00 C ATOM 1005 C THR A 76 7.196 6.872 -6.770 1.00 0.00 C ATOM 1006 O THR A 76 8.253 7.476 -6.951 1.00 0.00 O ATOM 1007 CB THR A 76 6.172 6.116 -8.933 1.00 0.00 C ATOM 1008 OG1 THR A 76 4.884 5.798 -9.474 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.890 4.834 -8.542 1.00 0.00 C ATOM 0 H THR A 76 6.598 8.718 -8.866 1.00 0.00 H new ATOM 0 HA THR A 76 5.096 6.817 -7.197 1.00 0.00 H new ATOM 0 HB THR A 76 6.770 6.629 -9.686 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.958 5.011 -10.054 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.983 4.188 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.883 5.075 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.320 4.319 -7.769 1.00 0.00 H new ATOM 1017 N PRO A 77 7.032 6.019 -5.744 1.00 0.00 N ATOM 1018 CA PRO A 77 8.070 5.740 -4.774 1.00 0.00 C ATOM 1019 C PRO A 77 8.869 4.492 -5.132 1.00 0.00 C ATOM 1020 O PRO A 77 8.323 3.530 -5.671 1.00 0.00 O ATOM 1021 CB PRO A 77 7.270 5.518 -3.488 1.00 0.00 C ATOM 1022 CG PRO A 77 5.871 5.168 -3.925 1.00 0.00 C ATOM 1023 CD PRO A 77 5.829 5.247 -5.429 1.00 0.00 C ATOM 0 HA PRO A 77 8.810 6.537 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.705 4.716 -2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.272 6.414 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.604 4.167 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.149 5.856 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.851 4.258 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.925 5.743 -5.783 1.00 0.00 H new ATOM 1031 N VAL A 78 10.163 4.510 -4.830 1.00 0.00 N ATOM 1032 CA VAL A 78 11.027 3.373 -5.125 1.00 0.00 C ATOM 1033 C VAL A 78 11.902 3.023 -3.921 1.00 0.00 C ATOM 1034 O VAL A 78 12.022 3.804 -2.978 1.00 0.00 O ATOM 1035 CB VAL A 78 11.904 3.641 -6.381 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.293 4.747 -7.227 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.349 3.984 -6.019 1.00 0.00 C ATOM 0 H VAL A 78 10.635 5.296 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 78 10.385 2.519 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 78 11.928 2.717 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.918 4.923 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.295 4.450 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.228 5.662 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.920 4.162 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.366 4.880 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.793 3.154 -5.469 1.00 0.00 H new ATOM 1047 N LEU A 79 12.517 1.846 -3.969 1.00 0.00 N ATOM 1048 CA LEU A 79 13.388 1.391 -2.893 1.00 0.00 C ATOM 1049 C LEU A 79 14.845 1.434 -3.335 1.00 0.00 C ATOM 1050 O LEU A 79 15.276 0.613 -4.144 1.00 0.00 O ATOM 1051 CB LEU A 79 12.994 -0.028 -2.450 1.00 0.00 C ATOM 1052 CG LEU A 79 13.919 -1.160 -2.915 1.00 0.00 C ATOM 1053 CD1 LEU A 79 15.277 -1.062 -2.238 1.00 0.00 C ATOM 1054 CD2 LEU A 79 13.281 -2.511 -2.639 1.00 0.00 C ATOM 0 H LEU A 79 12.428 1.189 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 79 13.270 2.061 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.948 -0.047 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.988 -0.235 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 79 14.069 -1.060 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.915 -1.875 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.739 -0.107 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.151 -1.134 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.949 -3.304 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.101 -2.617 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.335 -2.583 -3.175 1.00 0.00 H new ATOM 1066 N ARG A 80 15.593 2.396 -2.797 1.00 0.00 N ATOM 1067 CA ARG A 80 17.009 2.557 -3.128 1.00 0.00 C ATOM 1068 C ARG A 80 17.308 2.064 -4.539 1.00 0.00 C ATOM 1069 O ARG A 80 18.382 1.523 -4.803 1.00 0.00 O ATOM 1070 CB ARG A 80 17.875 1.801 -2.119 1.00 0.00 C ATOM 1071 CG ARG A 80 18.891 2.681 -1.409 1.00 0.00 C ATOM 1072 CD ARG A 80 20.207 2.735 -2.170 1.00 0.00 C ATOM 1073 NE ARG A 80 21.358 2.593 -1.283 1.00 0.00 N ATOM 1074 CZ ARG A 80 21.669 1.463 -0.655 1.00 0.00 C ATOM 1075 NH1 ARG A 80 20.915 0.384 -0.817 1.00 0.00 N ATOM 1076 NH2 ARG A 80 22.731 1.413 0.136 1.00 0.00 N ATOM 0 H ARG A 80 15.240 3.079 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 80 17.245 3.620 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 80 17.229 1.334 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.400 0.997 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.490 3.689 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 80 19.066 2.299 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 80 20.226 1.943 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.277 3.681 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 80 21.957 3.406 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.096 0.421 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.154 -0.482 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 80 23.311 2.242 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.968 0.545 0.617 1.00 0.00 H new ATOM 1090 N GLY A 81 16.352 2.251 -5.443 1.00 0.00 N ATOM 1091 CA GLY A 81 16.535 1.817 -6.810 1.00 0.00 C ATOM 1092 C GLY A 81 15.566 0.727 -7.236 1.00 0.00 C ATOM 1093 O GLY A 81 15.928 -0.164 -8.005 1.00 0.00 O ATOM 0 H GLY A 81 15.455 2.696 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.419 2.674 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.555 1.454 -6.934 1.00 0.00 H new ATOM 1097 N GLN A 82 14.331 0.798 -6.751 1.00 0.00 N ATOM 1098 CA GLN A 82 13.314 -0.189 -7.106 1.00 0.00 C ATOM 1099 C GLN A 82 11.922 0.430 -7.048 1.00 0.00 C ATOM 1100 O GLN A 82 11.319 0.537 -5.982 1.00 0.00 O ATOM 1101 CB GLN A 82 13.388 -1.398 -6.173 1.00 0.00 C ATOM 1102 CG GLN A 82 12.942 -2.697 -6.823 1.00 0.00 C ATOM 1103 CD GLN A 82 13.704 -3.901 -6.304 1.00 0.00 C ATOM 1104 OE1 GLN A 82 13.168 -4.708 -5.545 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.961 -4.026 -6.712 1.00 0.00 N ATOM 0 H GLN A 82 14.009 1.526 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 82 13.507 -0.522 -8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.413 -1.512 -5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.768 -1.209 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.877 -2.841 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.077 -2.624 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.364 -3.332 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.524 -4.816 -6.396 1.00 0.00 H new ATOM 1114 N PRO A 83 11.402 0.860 -8.207 1.00 0.00 N ATOM 1115 CA PRO A 83 10.081 1.491 -8.305 1.00 0.00 C ATOM 1116 C PRO A 83 8.949 0.574 -7.855 1.00 0.00 C ATOM 1117 O PRO A 83 8.801 -0.542 -8.354 1.00 0.00 O ATOM 1118 CB PRO A 83 9.940 1.810 -9.799 1.00 0.00 C ATOM 1119 CG PRO A 83 11.331 1.793 -10.334 1.00 0.00 C ATOM 1120 CD PRO A 83 12.072 0.779 -9.513 1.00 0.00 C ATOM 0 HA PRO A 83 10.011 2.364 -7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.315 1.072 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.471 2.782 -9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.341 1.524 -11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.794 2.776 -10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.999 -0.220 -9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.133 1.017 -9.438 1.00 0.00 H new ATOM 1128 N ILE A 84 8.141 1.066 -6.921 1.00 0.00 N ATOM 1129 CA ILE A 84 7.005 0.308 -6.411 1.00 0.00 C ATOM 1130 C ILE A 84 5.787 1.215 -6.265 1.00 0.00 C ATOM 1131 O ILE A 84 5.738 2.075 -5.384 1.00 0.00 O ATOM 1132 CB ILE A 84 7.327 -0.363 -5.057 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.638 0.686 -3.986 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.497 -1.323 -5.215 1.00 0.00 C ATOM 1135 CD1 ILE A 84 8.196 0.096 -2.706 1.00 0.00 C ATOM 0 H ILE A 84 8.253 1.989 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 84 6.786 -0.480 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 84 6.450 -0.924 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.353 1.403 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.728 1.239 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.716 -1.791 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.241 -2.092 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.374 -0.775 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.393 0.896 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.473 -0.600 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.124 -0.433 -2.923 1.00 0.00 H new ATOM 1147 N TYR A 85 4.815 1.030 -7.154 1.00 0.00 N ATOM 1148 CA TYR A 85 3.602 1.842 -7.154 1.00 0.00 C ATOM 1149 C TYR A 85 2.724 1.557 -5.940 1.00 0.00 C ATOM 1150 O TYR A 85 2.662 0.429 -5.451 1.00 0.00 O ATOM 1151 CB TYR A 85 2.803 1.595 -8.435 1.00 0.00 C ATOM 1152 CG TYR A 85 3.413 2.234 -9.663 1.00 0.00 C ATOM 1153 CD1 TYR A 85 4.772 2.121 -9.926 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.628 2.950 -10.557 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.332 2.703 -11.047 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.180 3.535 -11.681 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.533 3.409 -11.921 1.00 0.00 C ATOM 1158 OH TYR A 85 5.087 3.991 -13.038 1.00 0.00 O ATOM 0 H TYR A 85 4.844 0.321 -7.887 1.00 0.00 H new ATOM 0 HA TYR A 85 3.910 2.886 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.719 0.521 -8.599 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.791 1.978 -8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.401 1.569 -9.243 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.569 3.051 -10.371 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.391 2.605 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.556 4.088 -12.368 1.00 0.00 H new ATOM 0 HH TYR A 85 4.388 4.450 -13.549 1.00 0.00 H new ATOM 1168 N ILE A 86 2.040 2.595 -5.470 1.00 0.00 N ATOM 1169 CA ILE A 86 1.151 2.482 -4.325 1.00 0.00 C ATOM 1170 C ILE A 86 -0.239 3.008 -4.682 1.00 0.00 C ATOM 1171 O ILE A 86 -0.452 4.218 -4.759 1.00 0.00 O ATOM 1172 CB ILE A 86 1.710 3.262 -3.115 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.814 2.458 -2.428 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.604 3.600 -2.128 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.918 3.319 -1.853 1.00 0.00 C ATOM 0 H ILE A 86 2.087 3.532 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 86 1.078 1.428 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 86 2.135 4.197 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.375 1.862 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.245 1.760 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.024 4.149 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.149 4.214 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.144 2.680 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.667 2.683 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.383 3.896 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.500 3.999 -1.111 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.179 2.094 -4.905 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.542 2.476 -5.259 1.00 0.00 C ATOM 1189 C GLN A 87 -3.556 1.821 -4.328 1.00 0.00 C ATOM 1190 O GLN A 87 -3.201 0.997 -3.487 1.00 0.00 O ATOM 1191 CB GLN A 87 -2.840 2.087 -6.708 1.00 0.00 C ATOM 1192 CG GLN A 87 -2.755 3.252 -7.681 1.00 0.00 C ATOM 1193 CD GLN A 87 -3.052 2.841 -9.110 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -4.108 3.164 -9.654 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -2.120 2.123 -9.725 1.00 0.00 N ATOM 0 H GLN A 87 -1.023 1.088 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.627 3.557 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.139 1.313 -7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.838 1.653 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.458 4.027 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.758 3.689 -7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.259 1.878 -9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.265 1.816 -10.687 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.822 2.195 -4.488 1.00 0.00 N ATOM 1205 CA PHE A 88 -5.894 1.647 -3.663 1.00 0.00 C ATOM 1206 C PHE A 88 -6.168 0.192 -4.027 1.00 0.00 C ATOM 1207 O PHE A 88 -5.699 -0.302 -5.053 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.170 2.472 -3.832 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.026 3.904 -3.401 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.843 4.222 -2.065 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.075 4.929 -4.331 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.713 5.539 -1.666 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -6.945 6.247 -3.937 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.763 6.552 -2.602 1.00 0.00 C ATOM 0 H PHE A 88 -5.131 2.876 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.575 1.692 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.473 2.446 -4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.971 2.008 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.802 3.433 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.216 4.696 -5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.572 5.775 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.986 7.038 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.660 7.581 -2.291 1.00 0.00 H new ATOM 1224 N SER A 89 -6.934 -0.490 -3.182 1.00 0.00 N ATOM 1225 CA SER A 89 -7.274 -1.889 -3.415 1.00 0.00 C ATOM 1226 C SER A 89 -8.739 -2.031 -3.812 1.00 0.00 C ATOM 1227 O SER A 89 -9.485 -1.051 -3.835 1.00 0.00 O ATOM 1228 CB SER A 89 -6.988 -2.720 -2.164 1.00 0.00 C ATOM 1229 OG SER A 89 -8.169 -2.929 -1.409 1.00 0.00 O ATOM 0 H SER A 89 -7.331 -0.096 -2.329 1.00 0.00 H new ATOM 0 HA SER A 89 -6.657 -2.257 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.562 -3.681 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.245 -2.213 -1.549 1.00 0.00 H new ATOM 0 HG SER A 89 -8.101 -3.778 -0.924 1.00 0.00 H new ATOM 1235 N ASN A 90 -9.146 -3.257 -4.126 1.00 0.00 N ATOM 1236 CA ASN A 90 -10.523 -3.527 -4.522 1.00 0.00 C ATOM 1237 C ASN A 90 -11.350 -4.002 -3.331 1.00 0.00 C ATOM 1238 O ASN A 90 -12.144 -4.936 -3.447 1.00 0.00 O ATOM 1239 CB ASN A 90 -10.560 -4.577 -5.634 1.00 0.00 C ATOM 1240 CG ASN A 90 -11.325 -4.101 -6.854 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -12.445 -3.602 -6.743 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -10.723 -4.253 -8.027 1.00 0.00 N ATOM 0 H ASN A 90 -8.542 -4.079 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 90 -10.955 -2.598 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.540 -4.831 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.020 -5.489 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.189 -3.951 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.794 -4.672 -8.073 1.00 0.00 H new ATOM 1249 N HIS A 91 -11.159 -3.352 -2.188 1.00 0.00 N ATOM 1250 CA HIS A 91 -11.888 -3.708 -0.976 1.00 0.00 C ATOM 1251 C HIS A 91 -11.550 -5.127 -0.534 1.00 0.00 C ATOM 1252 O HIS A 91 -12.401 -5.844 -0.008 1.00 0.00 O ATOM 1253 CB HIS A 91 -13.394 -3.577 -1.204 1.00 0.00 C ATOM 1254 CG HIS A 91 -14.098 -2.812 -0.127 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -15.224 -3.282 0.517 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -13.831 -1.602 0.421 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -15.619 -2.395 1.413 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -14.791 -1.367 1.375 1.00 0.00 N ATOM 0 H HIS A 91 -10.506 -2.576 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.586 -3.020 -0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.567 -3.084 -2.161 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -13.830 -4.573 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.016 -0.945 0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.474 -2.494 2.066 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.854 -0.533 1.959 1.00 0.00 H new ATOM 1267 N LYS A 92 -10.301 -5.528 -0.752 1.00 0.00 N ATOM 1268 CA LYS A 92 -9.848 -6.863 -0.375 1.00 0.00 C ATOM 1269 C LYS A 92 -9.635 -6.960 1.132 1.00 0.00 C ATOM 1270 O LYS A 92 -8.501 -6.946 1.610 1.00 0.00 O ATOM 1271 CB LYS A 92 -8.553 -7.210 -1.110 1.00 0.00 C ATOM 1272 CG LYS A 92 -8.670 -7.123 -2.623 1.00 0.00 C ATOM 1273 CD LYS A 92 -8.864 -8.496 -3.246 1.00 0.00 C ATOM 1274 CE LYS A 92 -7.750 -8.825 -4.227 1.00 0.00 C ATOM 1275 NZ LYS A 92 -7.164 -10.170 -3.972 1.00 0.00 N ATOM 0 H LYS A 92 -9.584 -4.947 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.621 -7.577 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.764 -6.537 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.248 -8.220 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.509 -6.480 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.772 -6.660 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.894 -9.252 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.825 -8.531 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.139 -8.786 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.968 -8.069 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.408 -10.356 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.770 -10.200 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.904 -10.895 -4.066 1.00 0.00 H new ATOM 1289 N GLU A 93 -10.732 -7.057 1.875 1.00 0.00 N ATOM 1290 CA GLU A 93 -10.665 -7.156 3.329 1.00 0.00 C ATOM 1291 C GLU A 93 -9.724 -8.277 3.754 1.00 0.00 C ATOM 1292 O GLU A 93 -9.718 -9.356 3.161 1.00 0.00 O ATOM 1293 CB GLU A 93 -12.060 -7.397 3.909 1.00 0.00 C ATOM 1294 CG GLU A 93 -12.880 -6.127 4.069 1.00 0.00 C ATOM 1295 CD GLU A 93 -13.390 -5.591 2.745 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -14.445 -6.068 2.278 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -12.732 -4.695 2.176 1.00 0.00 O ATOM 0 H GLU A 93 -11.678 -7.069 1.495 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.276 -6.214 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.599 -8.088 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.962 -7.881 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.726 -6.326 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.271 -5.365 4.555 1.00 0.00 H new ATOM 1304 N LEU A 94 -8.929 -8.015 4.788 1.00 0.00 N ATOM 1305 CA LEU A 94 -7.983 -9.002 5.294 1.00 0.00 C ATOM 1306 C LEU A 94 -8.659 -10.356 5.483 1.00 0.00 C ATOM 1307 O LEU A 94 -9.548 -10.506 6.321 1.00 0.00 O ATOM 1308 CB LEU A 94 -7.380 -8.531 6.618 1.00 0.00 C ATOM 1309 CG LEU A 94 -6.982 -7.055 6.659 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -6.208 -6.747 7.932 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -6.160 -6.692 5.432 1.00 0.00 C ATOM 0 H LEU A 94 -8.922 -7.128 5.291 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.185 -9.113 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.099 -8.720 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.499 -9.135 6.834 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.890 -6.452 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.933 -5.692 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.830 -6.970 8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.306 -7.358 7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.885 -5.638 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.257 -7.302 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.748 -6.875 4.533 1.00 0.00 H new ATOM 1323 N LYS A 95 -8.232 -11.340 4.698 1.00 0.00 N ATOM 1324 CA LYS A 95 -8.797 -12.682 4.780 1.00 0.00 C ATOM 1325 C LYS A 95 -7.783 -13.666 5.361 1.00 0.00 C ATOM 1326 O LYS A 95 -6.574 -13.456 5.265 1.00 0.00 O ATOM 1327 CB LYS A 95 -9.261 -13.148 3.398 1.00 0.00 C ATOM 1328 CG LYS A 95 -8.197 -13.901 2.621 1.00 0.00 C ATOM 1329 CD LYS A 95 -8.230 -13.550 1.143 1.00 0.00 C ATOM 1330 CE LYS A 95 -8.692 -14.727 0.300 1.00 0.00 C ATOM 1331 NZ LYS A 95 -8.482 -14.487 -1.154 1.00 0.00 N ATOM 0 H LYS A 95 -7.497 -11.233 3.999 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.659 -12.649 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.135 -13.788 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.576 -12.280 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.214 -13.667 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.346 -14.974 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.898 -12.703 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.237 -13.238 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.151 -15.624 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.749 -14.915 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.810 -15.314 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.019 -13.646 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.470 -14.333 -1.338 1.00 0.00 H new ATOM 1345 N THR A 96 -8.285 -14.740 5.961 1.00 0.00 N ATOM 1346 CA THR A 96 -7.425 -15.755 6.556 1.00 0.00 C ATOM 1347 C THR A 96 -6.795 -16.638 5.484 1.00 0.00 C ATOM 1348 O THR A 96 -7.497 -17.250 4.679 1.00 0.00 O ATOM 1349 CB THR A 96 -8.203 -16.644 7.543 1.00 0.00 C ATOM 1350 OG1 THR A 96 -9.605 -16.583 7.258 1.00 0.00 O ATOM 1351 CG2 THR A 96 -7.954 -16.203 8.979 1.00 0.00 C ATOM 0 H THR A 96 -9.283 -14.930 6.048 1.00 0.00 H new ATOM 0 HA THR A 96 -6.640 -15.226 7.097 1.00 0.00 H new ATOM 0 HB THR A 96 -7.853 -17.670 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.985 -15.772 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.514 -16.845 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.890 -16.277 9.203 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.280 -15.170 9.104 1.00 0.00 H new ATOM 1359 N ASP A 97 -5.468 -16.701 5.481 1.00 0.00 N ATOM 1360 CA ASP A 97 -4.743 -17.510 4.508 1.00 0.00 C ATOM 1361 C ASP A 97 -4.998 -18.996 4.739 1.00 0.00 C ATOM 1362 O ASP A 97 -5.026 -19.461 5.879 1.00 0.00 O ATOM 1363 CB ASP A 97 -3.243 -17.219 4.587 1.00 0.00 C ATOM 1364 CG ASP A 97 -2.849 -15.994 3.786 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -3.112 -15.974 2.565 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -2.278 -15.055 4.379 1.00 0.00 O ATOM 0 H ASP A 97 -4.872 -16.202 6.141 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.104 -17.248 3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.958 -17.075 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.688 -18.083 4.221 1.00 0.00 H new ATOM 1371 N SER A 98 -5.181 -19.736 3.650 1.00 0.00 N ATOM 1372 CA SER A 98 -5.433 -21.170 3.735 1.00 0.00 C ATOM 1373 C SER A 98 -4.137 -21.960 3.595 1.00 0.00 C ATOM 1374 O SER A 98 -4.059 -23.120 3.999 1.00 0.00 O ATOM 1375 CB SER A 98 -6.425 -21.598 2.651 1.00 0.00 C ATOM 1376 OG SER A 98 -7.027 -20.473 2.035 1.00 0.00 O ATOM 0 H SER A 98 -5.160 -19.367 2.699 1.00 0.00 H new ATOM 0 HA SER A 98 -5.861 -21.382 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.910 -22.196 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.196 -22.232 3.089 1.00 0.00 H new ATOM 0 HG SER A 98 -7.655 -20.774 1.346 1.00 0.00 H new ATOM 1382 N SER A 99 -3.120 -21.324 3.021 1.00 0.00 N ATOM 1383 CA SER A 99 -1.827 -21.968 2.829 1.00 0.00 C ATOM 1384 C SER A 99 -1.290 -22.516 4.146 1.00 0.00 C ATOM 1385 O SER A 99 -1.352 -23.748 4.343 1.00 0.00 O ATOM 1386 CB SER A 99 -0.826 -20.980 2.228 1.00 0.00 C ATOM 1387 OG SER A 99 0.243 -21.659 1.590 1.00 0.00 O ATOM 0 H SER A 99 -3.167 -20.363 2.681 1.00 0.00 H new ATOM 0 HA SER A 99 -1.964 -22.801 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.333 -20.337 1.509 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.433 -20.333 3.013 1.00 0.00 H new ATOM 0 HG SER A 99 0.868 -21.005 1.213 1.00 0.00 H new TER 1393 SER A 99