USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1009 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 116 SER OG : rot 120:sc= -0.146 USER MOD Set 1.2: A 118 THR OG1 : rot 143:sc= 0.853 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.339 K(o=-0.9,f=-3!) USER MOD Set 2.2: A 100 MET CE :methyl 167:sc= -0.544 (180deg=-0.0491) USER MOD Set 2.3: A 112 MET CE :methyl -121:sc= -0.0136 (180deg=-0.0251) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0941 (180deg=-0.0784) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= 0.357 (180deg=0.234) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= 0.612 (180deg=0.264) USER MOD Single : A 13 SER OG : rot 72:sc= 1.25 USER MOD Single : A 21 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1.1) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0649 F(o=-2.8!,f=-0.065) USER MOD Single : A 23 GLN : amide:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0.329 (180deg=0.306) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.615 USER MOD Single : A 56 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.0026) USER MOD Single : A 57 SER OG : rot 51:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.019) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 169:sc= -0.606 (180deg=-1.01) USER MOD Single : A 73 GLN : amide:sc= -0.856 X(o=-0.86,f=-0.64) USER MOD Single : A 77 THR OG1 : rot -169:sc= -1.98 USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= -0.998 (180deg=-2.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0805 X(o=-0.081,f=-0.51) USER MOD Single : A 84 MET CE :methyl -151:sc= -1.24 (180deg=-1.68!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc=-0.00422 (180deg=-0.103) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -53:sc= 0.94 USER MOD Single : A 107 MET CE :methyl 173:sc= -0.0046 (180deg=-0.0882) USER MOD Single : A 113 THR OG1 : rot -130:sc= -0.0697 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.965 -5.781 -3.709 1.00 0.00 N ATOM 2 CA MET A 1 -16.391 -7.009 -3.094 1.00 0.00 C ATOM 3 C MET A 1 -15.796 -6.679 -1.709 1.00 0.00 C ATOM 4 O MET A 1 -16.051 -5.601 -1.166 1.00 0.00 O ATOM 5 CB MET A 1 -15.324 -7.627 -4.041 1.00 0.00 C ATOM 6 CG MET A 1 -15.853 -8.018 -5.431 1.00 0.00 C ATOM 7 SD MET A 1 -14.610 -8.868 -6.431 1.00 0.00 S ATOM 8 CE MET A 1 -15.474 -9.126 -7.985 1.00 0.00 C ATOM 0 H1 MET A 1 -17.925 -5.982 -4.054 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.004 -5.023 -2.998 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.367 -5.479 -4.505 1.00 0.00 H new ATOM 0 HA MET A 1 -17.180 -7.747 -2.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.509 -6.913 -4.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.903 -8.512 -3.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.725 -8.662 -5.316 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.185 -7.122 -5.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.817 -9.640 -8.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.363 -9.731 -7.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.767 -8.163 -8.403 1.00 0.00 H new ATOM 18 N LYS A 2 -15.030 -7.618 -1.128 1.00 0.00 N ATOM 19 CA LYS A 2 -14.360 -7.416 0.173 1.00 0.00 C ATOM 20 C LYS A 2 -13.083 -6.572 -0.014 1.00 0.00 C ATOM 21 O LYS A 2 -12.321 -6.802 -0.963 1.00 0.00 O ATOM 22 CB LYS A 2 -14.019 -8.788 0.800 1.00 0.00 C ATOM 23 CG LYS A 2 -15.239 -9.696 1.065 1.00 0.00 C ATOM 24 CD LYS A 2 -14.843 -11.083 1.625 1.00 0.00 C ATOM 25 CE LYS A 2 -13.973 -11.895 0.642 1.00 0.00 C ATOM 26 NZ LYS A 2 -13.696 -13.272 1.132 1.00 0.00 N ATOM 0 H LYS A 2 -14.857 -8.534 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.030 -6.879 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.329 -9.313 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.495 -8.622 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.908 -9.202 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.796 -9.829 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.300 -10.951 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.746 -11.648 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.476 -11.950 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.030 -11.373 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.109 -13.776 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.192 -13.222 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.593 -13.781 1.262 1.00 0.00 H new ATOM 40 N GLU A 3 -12.847 -5.619 0.914 1.00 0.00 N ATOM 41 CA GLU A 3 -11.747 -4.625 0.788 1.00 0.00 C ATOM 42 C GLU A 3 -11.398 -3.939 2.129 1.00 0.00 C ATOM 43 O GLU A 3 -10.594 -3.006 2.139 1.00 0.00 O ATOM 44 CB GLU A 3 -12.103 -3.546 -0.284 1.00 0.00 C ATOM 45 CG GLU A 3 -13.351 -2.698 0.051 1.00 0.00 C ATOM 46 CD GLU A 3 -13.626 -1.595 -0.985 1.00 0.00 C ATOM 47 OE1 GLU A 3 -12.949 -0.544 -0.943 1.00 0.00 O ATOM 48 OE2 GLU A 3 -14.507 -1.769 -1.856 1.00 0.00 O ATOM 0 H GLU A 3 -13.403 -5.513 1.763 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.864 -5.180 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.249 -2.880 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.262 -4.042 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.221 -3.352 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.221 -2.242 1.032 1.00 0.00 H new ATOM 55 N VAL A 4 -11.932 -4.446 3.258 1.00 0.00 N ATOM 56 CA VAL A 4 -11.780 -3.810 4.604 1.00 0.00 C ATOM 57 C VAL A 4 -10.299 -3.885 5.114 1.00 0.00 C ATOM 58 O VAL A 4 -9.941 -3.249 6.090 1.00 0.00 O ATOM 59 CB VAL A 4 -12.769 -4.479 5.649 1.00 0.00 C ATOM 60 CG1 VAL A 4 -12.875 -3.664 6.958 1.00 0.00 C ATOM 61 CG2 VAL A 4 -14.177 -4.699 5.043 1.00 0.00 C ATOM 0 H VAL A 4 -12.481 -5.305 3.274 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.039 -2.756 4.505 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.342 -5.451 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.563 -4.161 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.891 -3.591 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.245 -2.664 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.826 -5.159 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.596 -3.740 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.101 -5.353 4.175 1.00 0.00 H new ATOM 71 N GLU A 5 -9.470 -4.666 4.401 1.00 0.00 N ATOM 72 CA GLU A 5 -8.010 -4.835 4.675 1.00 0.00 C ATOM 73 C GLU A 5 -7.293 -3.471 4.902 1.00 0.00 C ATOM 74 O GLU A 5 -6.563 -3.303 5.872 1.00 0.00 O ATOM 75 CB GLU A 5 -7.310 -5.613 3.513 1.00 0.00 C ATOM 76 CG GLU A 5 -7.583 -7.135 3.473 1.00 0.00 C ATOM 77 CD GLU A 5 -9.078 -7.505 3.398 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.765 -7.043 2.466 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.575 -8.259 4.270 1.00 0.00 O ATOM 0 H GLU A 5 -9.789 -5.213 3.601 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.929 -5.414 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.628 -5.179 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.234 -5.456 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.070 -7.563 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.150 -7.594 4.362 1.00 0.00 H new ATOM 86 N LYS A 6 -7.473 -2.557 3.938 1.00 0.00 N ATOM 87 CA LYS A 6 -6.935 -1.164 4.068 1.00 0.00 C ATOM 88 C LYS A 6 -7.407 -0.433 5.378 1.00 0.00 C ATOM 89 O LYS A 6 -6.680 0.404 5.922 1.00 0.00 O ATOM 90 CB LYS A 6 -7.240 -0.337 2.771 1.00 0.00 C ATOM 91 CG LYS A 6 -8.683 -0.430 2.209 1.00 0.00 C ATOM 92 CD LYS A 6 -9.757 0.329 3.030 1.00 0.00 C ATOM 93 CE LYS A 6 -11.170 0.164 2.449 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.274 0.634 1.044 1.00 0.00 N ATOM 0 H LYS A 6 -7.975 -2.736 3.069 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.853 -1.244 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.022 0.711 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.550 -0.660 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.685 -0.043 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.967 -1.481 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.746 -0.033 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.503 1.388 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.457 -0.886 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.878 0.717 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.977 1.398 0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.349 0.989 0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.569 -0.155 0.435 1.00 0.00 H new ATOM 108 N ASN A 7 -8.616 -0.780 5.863 1.00 0.00 N ATOM 109 CA ASN A 7 -9.131 -0.239 7.158 1.00 0.00 C ATOM 110 C ASN A 7 -8.388 -0.879 8.349 1.00 0.00 C ATOM 111 O ASN A 7 -8.211 -0.241 9.387 1.00 0.00 O ATOM 112 CB ASN A 7 -10.646 -0.498 7.298 1.00 0.00 C ATOM 113 CG ASN A 7 -11.290 0.136 8.541 1.00 0.00 C ATOM 114 OD1 ASN A 7 -10.918 1.228 8.970 1.00 0.00 O ATOM 115 ND2 ASN A 7 -12.251 -0.564 9.132 1.00 0.00 N ATOM 0 H ASN A 7 -9.254 -1.422 5.393 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.954 0.837 7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.150 -0.118 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.817 -1.574 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.706 -0.200 9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.534 -1.466 8.749 1.00 0.00 H new ATOM 122 N GLU A 8 -8.011 -2.164 8.184 1.00 0.00 N ATOM 123 CA GLU A 8 -7.174 -2.891 9.167 1.00 0.00 C ATOM 124 C GLU A 8 -5.775 -2.272 9.260 1.00 0.00 C ATOM 125 O GLU A 8 -5.245 -2.104 10.369 1.00 0.00 O ATOM 126 CB GLU A 8 -7.079 -4.418 8.846 1.00 0.00 C ATOM 127 CG GLU A 8 -8.244 -5.280 9.374 1.00 0.00 C ATOM 128 CD GLU A 8 -9.612 -4.976 8.732 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.301 -4.020 9.166 1.00 0.00 O ATOM 130 OE2 GLU A 8 -10.018 -5.714 7.811 1.00 0.00 O ATOM 0 H GLU A 8 -8.274 -2.725 7.374 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.664 -2.792 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.019 -4.541 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.148 -4.802 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.005 -6.330 9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.324 -5.138 10.452 1.00 0.00 H new ATOM 137 N ILE A 9 -5.166 -1.952 8.101 1.00 0.00 N ATOM 138 CA ILE A 9 -3.862 -1.274 8.042 1.00 0.00 C ATOM 139 C ILE A 9 -3.951 0.144 8.638 1.00 0.00 C ATOM 140 O ILE A 9 -3.030 0.581 9.313 1.00 0.00 O ATOM 141 CB ILE A 9 -3.308 -1.227 6.563 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.245 -2.668 5.934 1.00 0.00 C ATOM 143 CG2 ILE A 9 -1.919 -0.532 6.488 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.321 -3.659 6.648 1.00 0.00 C ATOM 0 H ILE A 9 -5.565 -2.157 7.185 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.160 -1.852 8.644 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.007 -0.629 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.253 -3.083 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.922 -2.579 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.573 -0.520 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.004 0.491 6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.205 -1.079 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.351 -4.620 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.301 -3.276 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.652 -3.788 7.678 1.00 0.00 H new ATOM 156 N LYS A 10 -5.081 0.831 8.395 1.00 0.00 N ATOM 157 CA LYS A 10 -5.346 2.173 8.971 1.00 0.00 C ATOM 158 C LYS A 10 -5.405 2.058 10.505 1.00 0.00 C ATOM 159 O LYS A 10 -4.809 2.846 11.205 1.00 0.00 O ATOM 160 CB LYS A 10 -6.674 2.761 8.384 1.00 0.00 C ATOM 161 CG LYS A 10 -6.972 4.258 8.711 1.00 0.00 C ATOM 162 CD LYS A 10 -7.521 4.527 10.139 1.00 0.00 C ATOM 163 CE LYS A 10 -7.735 6.027 10.422 1.00 0.00 C ATOM 164 NZ LYS A 10 -8.167 6.283 11.823 1.00 0.00 N ATOM 0 H LYS A 10 -5.833 0.481 7.801 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.542 2.859 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.649 2.646 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.506 2.159 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.055 4.832 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.692 4.635 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.466 3.999 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.827 4.118 10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.809 6.567 10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.485 6.420 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.763 7.135 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.710 5.468 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.330 6.425 12.424 1.00 0.00 H new ATOM 178 N ARG A 11 -6.198 1.087 10.957 1.00 0.00 N ATOM 179 CA ARG A 11 -6.336 0.718 12.379 1.00 0.00 C ATOM 180 C ARG A 11 -4.967 0.608 13.099 1.00 0.00 C ATOM 181 O ARG A 11 -4.708 1.350 14.059 1.00 0.00 O ATOM 182 CB ARG A 11 -7.143 -0.597 12.505 1.00 0.00 C ATOM 183 CG ARG A 11 -7.388 -1.072 13.954 1.00 0.00 C ATOM 184 CD ARG A 11 -8.291 -2.319 14.014 1.00 0.00 C ATOM 185 NE ARG A 11 -9.641 -2.032 13.466 1.00 0.00 N ATOM 186 CZ ARG A 11 -10.268 -2.723 12.497 1.00 0.00 C ATOM 187 NH1 ARG A 11 -9.727 -3.813 11.983 1.00 0.00 N ATOM 188 NH2 ARG A 11 -11.459 -2.326 12.067 1.00 0.00 N ATOM 0 H ARG A 11 -6.777 0.519 10.338 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.880 1.519 12.879 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.107 -0.463 12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.616 -1.383 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.432 -1.295 14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.847 -0.266 14.526 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.832 -3.131 13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.379 -2.658 15.046 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.140 -1.235 13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.822 -4.141 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.214 -4.327 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.897 -1.498 12.471 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.936 -2.848 11.332 1.00 0.00 H new ATOM 202 N LEU A 12 -4.086 -0.291 12.615 1.00 0.00 N ATOM 203 CA LEU A 12 -2.767 -0.514 13.250 1.00 0.00 C ATOM 204 C LEU A 12 -1.838 0.725 13.125 1.00 0.00 C ATOM 205 O LEU A 12 -1.042 0.990 14.037 1.00 0.00 O ATOM 206 CB LEU A 12 -2.116 -1.830 12.723 1.00 0.00 C ATOM 207 CG LEU A 12 -1.917 -1.984 11.169 1.00 0.00 C ATOM 208 CD1 LEU A 12 -0.572 -1.405 10.673 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.087 -3.458 10.716 1.00 0.00 C ATOM 0 H LEU A 12 -4.260 -0.871 11.794 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.924 -0.646 14.320 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.140 -1.933 13.197 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.726 -2.665 13.066 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.704 -1.391 10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.493 -1.541 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.524 -0.342 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.251 -1.923 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.943 -3.526 9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.349 -4.081 11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.089 -3.804 10.971 1.00 0.00 H new ATOM 221 N SER A 13 -1.913 1.427 11.970 1.00 0.00 N ATOM 222 CA SER A 13 -1.269 2.760 11.808 1.00 0.00 C ATOM 223 C SER A 13 -1.672 3.721 12.953 1.00 0.00 C ATOM 224 O SER A 13 -0.813 4.214 13.673 1.00 0.00 O ATOM 225 CB SER A 13 -1.619 3.383 10.437 1.00 0.00 C ATOM 226 OG SER A 13 -1.189 2.559 9.369 1.00 0.00 O ATOM 0 H SER A 13 -2.408 1.099 11.140 1.00 0.00 H new ATOM 0 HA SER A 13 -0.190 2.609 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.696 3.536 10.370 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.152 4.364 10.352 1.00 0.00 H new ATOM 0 HG SER A 13 -1.756 1.761 9.323 1.00 0.00 H new ATOM 232 N ASP A 14 -2.991 3.951 13.098 1.00 0.00 N ATOM 233 CA ASP A 14 -3.596 4.788 14.169 1.00 0.00 C ATOM 234 C ASP A 14 -3.175 4.329 15.588 1.00 0.00 C ATOM 235 O ASP A 14 -3.041 5.150 16.500 1.00 0.00 O ATOM 236 CB ASP A 14 -5.149 4.717 14.011 1.00 0.00 C ATOM 237 CG ASP A 14 -5.927 5.811 14.768 1.00 0.00 C ATOM 238 OD1 ASP A 14 -6.092 5.707 16.003 1.00 0.00 O ATOM 239 OD2 ASP A 14 -6.400 6.774 14.122 1.00 0.00 O ATOM 0 H ASP A 14 -3.686 3.555 12.465 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.239 5.812 14.062 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.396 4.783 12.951 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.491 3.742 14.358 1.00 0.00 H new ATOM 244 N ARG A 15 -2.946 3.006 15.724 1.00 0.00 N ATOM 245 CA ARG A 15 -2.555 2.401 17.016 1.00 0.00 C ATOM 246 C ARG A 15 -1.131 2.861 17.399 1.00 0.00 C ATOM 247 O ARG A 15 -0.921 3.526 18.428 1.00 0.00 O ATOM 248 CB ARG A 15 -2.632 0.845 16.967 1.00 0.00 C ATOM 249 CG ARG A 15 -2.430 0.150 18.332 1.00 0.00 C ATOM 250 CD ARG A 15 -3.495 0.530 19.374 1.00 0.00 C ATOM 251 NE ARG A 15 -3.255 -0.136 20.667 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.023 -0.017 21.766 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.116 0.733 21.763 1.00 0.00 N ATOM 254 NH2 ARG A 15 -3.678 -0.654 22.877 1.00 0.00 N ATOM 0 H ARG A 15 -3.025 2.337 14.958 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.259 2.738 17.777 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.603 0.554 16.566 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.877 0.478 16.272 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.443 -0.930 18.187 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.444 0.407 18.720 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.496 1.611 19.516 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.482 0.257 19.002 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.436 -0.740 20.735 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.389 1.233 20.917 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.684 0.810 22.607 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.836 -1.229 22.895 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.255 -0.569 23.714 1.00 0.00 H new ATOM 268 N LEU A 16 -0.177 2.549 16.509 1.00 0.00 N ATOM 269 CA LEU A 16 1.252 2.819 16.743 1.00 0.00 C ATOM 270 C LEU A 16 1.511 4.345 16.739 1.00 0.00 C ATOM 271 O LEU A 16 2.349 4.825 17.499 1.00 0.00 O ATOM 272 CB LEU A 16 2.107 2.062 15.670 1.00 0.00 C ATOM 273 CG LEU A 16 3.636 1.798 15.977 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.517 3.057 15.850 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.820 1.135 17.362 1.00 0.00 C ATOM 0 H LEU A 16 -0.371 2.105 15.611 1.00 0.00 H new ATOM 0 HA LEU A 16 1.550 2.449 17.724 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.633 1.097 15.488 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.048 2.627 14.739 1.00 0.00 H new ATOM 0 HG LEU A 16 3.980 1.108 15.207 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.552 2.801 16.075 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.452 3.446 14.834 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.171 3.816 16.552 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.881 0.965 17.546 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.418 1.790 18.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.291 0.182 17.382 1.00 0.00 H new ATOM 287 N ASP A 17 0.811 5.094 15.856 1.00 0.00 N ATOM 288 CA ASP A 17 0.892 6.570 15.807 1.00 0.00 C ATOM 289 C ASP A 17 0.454 7.216 17.131 1.00 0.00 C ATOM 290 O ASP A 17 1.141 8.112 17.638 1.00 0.00 O ATOM 291 CB ASP A 17 0.042 7.122 14.638 1.00 0.00 C ATOM 292 CG ASP A 17 0.133 8.653 14.483 1.00 0.00 C ATOM 293 OD1 ASP A 17 1.160 9.141 13.963 1.00 0.00 O ATOM 294 OD2 ASP A 17 -0.818 9.370 14.874 1.00 0.00 O ATOM 0 H ASP A 17 0.179 4.694 15.162 1.00 0.00 H new ATOM 0 HA ASP A 17 1.938 6.830 15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.365 6.651 13.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.000 6.841 14.792 1.00 0.00 H new ATOM 299 N ALA A 18 -0.723 6.821 17.652 1.00 0.00 N ATOM 300 CA ALA A 18 -1.149 7.155 19.027 1.00 0.00 C ATOM 301 C ALA A 18 -0.065 6.837 20.068 1.00 0.00 C ATOM 302 O ALA A 18 0.108 7.602 21.012 1.00 0.00 O ATOM 303 CB ALA A 18 -2.455 6.434 19.374 1.00 0.00 C ATOM 0 H ALA A 18 -1.404 6.264 17.135 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.317 8.231 19.058 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.754 6.691 20.390 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.236 6.740 18.678 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.306 5.357 19.302 1.00 0.00 H new ATOM 309 N ILE A 19 0.694 5.743 19.841 1.00 0.00 N ATOM 310 CA ILE A 19 1.760 5.327 20.770 1.00 0.00 C ATOM 311 C ILE A 19 2.989 6.260 20.671 1.00 0.00 C ATOM 312 O ILE A 19 3.503 6.665 21.710 1.00 0.00 O ATOM 313 CB ILE A 19 2.158 3.806 20.611 1.00 0.00 C ATOM 314 CG1 ILE A 19 0.946 2.906 21.021 1.00 0.00 C ATOM 315 CG2 ILE A 19 3.424 3.432 21.439 1.00 0.00 C ATOM 316 CD1 ILE A 19 1.195 1.409 20.951 1.00 0.00 C ATOM 0 H ILE A 19 0.587 5.137 19.027 1.00 0.00 H new ATOM 0 HA ILE A 19 1.351 5.424 21.776 1.00 0.00 H new ATOM 0 HB ILE A 19 2.409 3.634 19.564 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.653 3.162 22.039 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.101 3.148 20.376 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.654 2.376 21.295 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.268 4.036 21.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.236 3.621 22.496 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.294 0.876 21.255 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.455 1.131 19.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.015 1.145 21.619 1.00 0.00 H new ATOM 328 N ARG A 20 3.472 6.629 19.459 1.00 0.00 N ATOM 329 CA ARG A 20 4.626 7.545 19.290 1.00 0.00 C ATOM 330 C ARG A 20 4.299 8.992 19.699 1.00 0.00 C ATOM 331 O ARG A 20 5.198 9.693 20.168 1.00 0.00 O ATOM 332 CB ARG A 20 5.202 7.479 17.837 1.00 0.00 C ATOM 333 CG ARG A 20 4.169 7.707 16.696 1.00 0.00 C ATOM 334 CD ARG A 20 4.368 9.003 15.872 1.00 0.00 C ATOM 335 NE ARG A 20 4.273 10.238 16.686 1.00 0.00 N ATOM 336 CZ ARG A 20 3.395 11.244 16.499 1.00 0.00 C ATOM 337 NH1 ARG A 20 2.381 11.131 15.653 1.00 0.00 N ATOM 338 NH2 ARG A 20 3.519 12.355 17.208 1.00 0.00 N ATOM 0 H ARG A 20 3.076 6.303 18.578 1.00 0.00 H new ATOM 0 HA ARG A 20 5.400 7.196 19.973 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.991 8.225 17.743 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.667 6.504 17.693 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.208 6.855 16.017 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.170 7.722 17.131 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.344 8.970 15.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.620 9.040 15.080 1.00 0.00 H new ATOM 0 HE ARG A 20 4.932 10.336 17.458 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.251 10.268 15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.731 11.907 15.530 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.274 12.444 17.888 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.860 13.122 17.074 1.00 0.00 H new ATOM 352 N HIS A 21 3.039 9.468 19.520 1.00 0.00 N ATOM 353 CA HIS A 21 2.577 10.765 20.072 1.00 0.00 C ATOM 354 C HIS A 21 2.571 10.738 21.594 1.00 0.00 C ATOM 355 O HIS A 21 2.990 11.691 22.251 1.00 0.00 O ATOM 356 CB HIS A 21 1.134 11.048 19.568 1.00 0.00 C ATOM 357 CG HIS A 21 0.620 12.447 19.848 1.00 0.00 C ATOM 358 ND1 HIS A 21 0.497 12.975 21.121 1.00 0.00 N ATOM 359 CD2 HIS A 21 0.194 13.424 19.008 1.00 0.00 C ATOM 360 CE1 HIS A 21 0.023 14.197 21.046 1.00 0.00 C ATOM 361 NE2 HIS A 21 -0.167 14.497 19.781 1.00 0.00 N ATOM 0 H HIS A 21 2.323 8.968 18.994 1.00 0.00 H new ATOM 0 HA HIS A 21 3.260 11.546 19.738 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.100 10.873 18.493 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.457 10.329 20.029 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.148 13.367 17.931 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.177 14.847 21.885 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.525 15.385 19.431 1.00 0.00 H new ATOM 370 N GLN A 22 2.037 9.630 22.104 1.00 0.00 N ATOM 371 CA GLN A 22 1.975 9.341 23.537 1.00 0.00 C ATOM 372 C GLN A 22 3.379 9.445 24.142 1.00 0.00 C ATOM 373 O GLN A 22 3.580 10.143 25.119 1.00 0.00 O ATOM 374 CB GLN A 22 1.366 7.943 23.750 1.00 0.00 C ATOM 375 CG GLN A 22 1.398 7.403 25.178 1.00 0.00 C ATOM 376 CD GLN A 22 0.824 5.985 25.300 1.00 0.00 C ATOM 377 OE1 GLN A 22 1.058 5.138 24.296 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 0.226 5.634 26.316 1.00 0.00 N flip ATOM 0 H GLN A 22 1.629 8.896 21.525 1.00 0.00 H new ATOM 0 HA GLN A 22 1.338 10.068 24.042 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.329 7.967 23.416 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.892 7.239 23.106 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.427 7.404 25.537 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.834 8.074 25.826 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.061 6.303 27.068 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.105 4.674 26.407 1.00 0.00 H new ATOM 387 N GLN A 23 4.359 8.833 23.462 1.00 0.00 N ATOM 388 CA GLN A 23 5.755 8.823 23.913 1.00 0.00 C ATOM 389 C GLN A 23 6.466 10.141 23.588 1.00 0.00 C ATOM 390 O GLN A 23 7.554 10.387 24.094 1.00 0.00 O ATOM 391 CB GLN A 23 6.507 7.649 23.266 1.00 0.00 C ATOM 392 CG GLN A 23 5.961 6.276 23.657 1.00 0.00 C ATOM 393 CD GLN A 23 6.798 5.123 23.097 1.00 0.00 C ATOM 394 OE1 GLN A 23 6.564 4.639 21.989 1.00 0.00 O ATOM 395 NE2 GLN A 23 7.782 4.667 23.860 1.00 0.00 N ATOM 0 H GLN A 23 4.205 8.333 22.586 1.00 0.00 H new ATOM 0 HA GLN A 23 5.753 8.704 24.997 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.460 7.753 22.182 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.559 7.705 23.546 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.927 6.200 24.744 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.936 6.182 23.299 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.955 5.086 24.774 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.366 3.898 23.533 1.00 0.00 H new ATOM 404 N ALA A 24 5.907 10.940 22.670 1.00 0.00 N ATOM 405 CA ALA A 24 6.364 12.332 22.474 1.00 0.00 C ATOM 406 C ALA A 24 6.117 13.149 23.752 1.00 0.00 C ATOM 407 O ALA A 24 7.027 13.822 24.245 1.00 0.00 O ATOM 408 CB ALA A 24 5.687 12.973 21.254 1.00 0.00 C ATOM 0 H ALA A 24 5.145 10.655 22.054 1.00 0.00 H new ATOM 0 HA ALA A 24 7.436 12.323 22.274 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.043 13.996 21.136 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.930 12.399 20.360 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.607 12.980 21.399 1.00 0.00 H new ATOM 414 N ASP A 25 4.864 13.103 24.256 1.00 0.00 N ATOM 415 CA ASP A 25 4.522 13.689 25.574 1.00 0.00 C ATOM 416 C ASP A 25 5.332 13.039 26.718 1.00 0.00 C ATOM 417 O ASP A 25 5.809 13.728 27.614 1.00 0.00 O ATOM 418 CB ASP A 25 3.002 13.505 25.865 1.00 0.00 C ATOM 419 CG ASP A 25 2.082 14.098 24.783 1.00 0.00 C ATOM 420 OD1 ASP A 25 1.995 15.341 24.680 1.00 0.00 O ATOM 421 OD2 ASP A 25 1.431 13.329 24.036 1.00 0.00 O ATOM 0 H ASP A 25 4.076 12.669 23.775 1.00 0.00 H new ATOM 0 HA ASP A 25 4.772 14.749 25.531 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.788 12.441 25.966 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.767 13.970 26.822 1.00 0.00 H new ATOM 426 N LEU A 26 5.500 11.711 26.631 1.00 0.00 N ATOM 427 CA LEU A 26 6.101 10.939 27.743 1.00 0.00 C ATOM 428 C LEU A 26 7.593 10.715 27.490 1.00 0.00 C ATOM 429 O LEU A 26 7.976 9.947 26.619 1.00 0.00 O ATOM 430 CB LEU A 26 5.350 9.596 27.963 1.00 0.00 C ATOM 431 CG LEU A 26 3.801 9.725 28.151 1.00 0.00 C ATOM 432 CD1 LEU A 26 3.139 8.375 28.473 1.00 0.00 C ATOM 433 CD2 LEU A 26 3.421 10.798 29.197 1.00 0.00 C ATOM 0 H LEU A 26 5.235 11.152 25.820 1.00 0.00 H new ATOM 0 HA LEU A 26 5.999 11.518 28.661 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.544 8.945 27.110 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.767 9.104 28.841 1.00 0.00 H new ATOM 0 HG LEU A 26 3.408 10.059 27.191 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.065 8.516 28.594 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.323 7.676 27.657 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.559 7.975 29.396 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.336 10.848 29.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.856 10.536 30.162 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.803 11.768 28.878 1.00 0.00 H new ATOM 445 N SER A 27 8.415 11.387 28.294 1.00 0.00 N ATOM 446 CA SER A 27 9.881 11.304 28.178 1.00 0.00 C ATOM 447 C SER A 27 10.423 10.160 29.031 1.00 0.00 C ATOM 448 O SER A 27 9.721 9.611 29.883 1.00 0.00 O ATOM 449 CB SER A 27 10.541 12.629 28.630 1.00 0.00 C ATOM 450 OG SER A 27 11.944 12.617 28.433 1.00 0.00 O ATOM 0 H SER A 27 8.093 12.002 29.041 1.00 0.00 H new ATOM 0 HA SER A 27 10.122 11.120 27.131 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.104 13.459 28.075 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.324 12.801 29.684 1.00 0.00 H new ATOM 0 HG SER A 27 12.323 13.471 28.729 1.00 0.00 H new ATOM 456 N LEU A 28 11.698 9.841 28.800 1.00 0.00 N ATOM 457 CA LEU A 28 12.482 8.946 29.656 1.00 0.00 C ATOM 458 C LEU A 28 12.751 9.644 31.004 1.00 0.00 C ATOM 459 O LEU A 28 12.797 8.997 32.048 1.00 0.00 O ATOM 460 CB LEU A 28 13.801 8.562 28.905 1.00 0.00 C ATOM 461 CG LEU A 28 14.745 7.481 29.550 1.00 0.00 C ATOM 462 CD1 LEU A 28 15.687 8.074 30.628 1.00 0.00 C ATOM 463 CD2 LEU A 28 13.928 6.291 30.110 1.00 0.00 C ATOM 0 H LEU A 28 12.223 10.201 28.003 1.00 0.00 H new ATOM 0 HA LEU A 28 11.939 8.025 29.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.526 8.211 27.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.384 9.473 28.771 1.00 0.00 H new ATOM 0 HG LEU A 28 15.386 7.109 28.751 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.315 7.283 31.038 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.318 8.841 30.178 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.092 8.516 31.427 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.606 5.559 30.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.238 6.651 30.873 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.365 5.824 29.302 1.00 0.00 H new ATOM 475 N VAL A 29 12.925 10.973 30.957 1.00 0.00 N ATOM 476 CA VAL A 29 13.232 11.784 32.148 1.00 0.00 C ATOM 477 C VAL A 29 11.996 11.894 33.069 1.00 0.00 C ATOM 478 O VAL A 29 12.086 11.624 34.274 1.00 0.00 O ATOM 479 CB VAL A 29 13.747 13.220 31.741 1.00 0.00 C ATOM 480 CG1 VAL A 29 14.164 14.059 32.974 1.00 0.00 C ATOM 481 CG2 VAL A 29 14.904 13.114 30.723 1.00 0.00 C ATOM 0 H VAL A 29 12.857 11.516 30.096 1.00 0.00 H new ATOM 0 HA VAL A 29 14.028 11.282 32.697 1.00 0.00 H new ATOM 0 HB VAL A 29 12.917 13.743 31.267 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.512 15.039 32.647 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.308 14.181 33.638 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.966 13.549 33.507 1.00 0.00 H new ATOM 0 HG21 VAL A 29 15.245 14.114 30.455 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.729 12.556 31.166 1.00 0.00 H new ATOM 0 HG23 VAL A 29 14.556 12.597 29.829 1.00 0.00 H new ATOM 491 N GLU A 30 10.841 12.250 32.481 1.00 0.00 N ATOM 492 CA GLU A 30 9.619 12.544 33.265 1.00 0.00 C ATOM 493 C GLU A 30 8.869 11.247 33.635 1.00 0.00 C ATOM 494 O GLU A 30 8.315 11.146 34.728 1.00 0.00 O ATOM 495 CB GLU A 30 8.690 13.534 32.500 1.00 0.00 C ATOM 496 CG GLU A 30 8.020 12.963 31.243 1.00 0.00 C ATOM 497 CD GLU A 30 7.257 14.011 30.420 1.00 0.00 C ATOM 498 OE1 GLU A 30 7.887 14.677 29.569 1.00 0.00 O ATOM 499 OE2 GLU A 30 6.033 14.165 30.613 1.00 0.00 O ATOM 0 H GLU A 30 10.723 12.342 31.472 1.00 0.00 H new ATOM 0 HA GLU A 30 9.925 13.025 34.194 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.913 13.878 33.182 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.274 14.409 32.215 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.782 12.503 30.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.330 12.172 31.537 1.00 0.00 H new ATOM 506 N ALA A 31 8.874 10.255 32.725 1.00 0.00 N ATOM 507 CA ALA A 31 8.169 8.977 32.924 1.00 0.00 C ATOM 508 C ALA A 31 9.095 7.823 32.513 1.00 0.00 C ATOM 509 O ALA A 31 8.925 7.229 31.453 1.00 0.00 O ATOM 510 CB ALA A 31 6.837 8.978 32.140 1.00 0.00 C ATOM 0 H ALA A 31 9.366 10.318 31.834 1.00 0.00 H new ATOM 0 HA ALA A 31 7.915 8.842 33.975 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.324 8.029 32.294 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.207 9.793 32.495 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.040 9.113 31.078 1.00 0.00 H new ATOM 516 N ALA A 32 10.105 7.554 33.369 1.00 0.00 N ATOM 517 CA ALA A 32 11.175 6.559 33.113 1.00 0.00 C ATOM 518 C ALA A 32 10.611 5.176 32.755 1.00 0.00 C ATOM 519 O ALA A 32 10.930 4.620 31.698 1.00 0.00 O ATOM 520 CB ALA A 32 12.106 6.470 34.340 1.00 0.00 C ATOM 0 H ALA A 32 10.203 8.026 34.268 1.00 0.00 H new ATOM 0 HA ALA A 32 11.746 6.897 32.248 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.891 5.738 34.149 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.556 7.445 34.526 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.529 6.164 35.213 1.00 0.00 H new ATOM 526 N ASP A 33 9.746 4.655 33.637 1.00 0.00 N ATOM 527 CA ASP A 33 9.133 3.332 33.499 1.00 0.00 C ATOM 528 C ASP A 33 8.130 3.326 32.348 1.00 0.00 C ATOM 529 O ASP A 33 8.312 2.580 31.404 1.00 0.00 O ATOM 530 CB ASP A 33 8.461 2.873 34.820 1.00 0.00 C ATOM 531 CG ASP A 33 7.926 1.427 34.740 1.00 0.00 C ATOM 532 OD1 ASP A 33 8.725 0.476 34.895 1.00 0.00 O ATOM 533 OD2 ASP A 33 6.713 1.235 34.510 1.00 0.00 O ATOM 0 H ASP A 33 9.450 5.151 34.478 1.00 0.00 H new ATOM 0 HA ASP A 33 9.926 2.619 33.273 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.181 2.946 35.635 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.640 3.548 35.060 1.00 0.00 H new ATOM 538 N LYS A 34 7.083 4.180 32.452 1.00 0.00 N ATOM 539 CA LYS A 34 5.995 4.273 31.442 1.00 0.00 C ATOM 540 C LYS A 34 6.529 4.353 29.992 1.00 0.00 C ATOM 541 O LYS A 34 6.077 3.609 29.135 1.00 0.00 O ATOM 542 CB LYS A 34 5.090 5.500 31.752 1.00 0.00 C ATOM 543 CG LYS A 34 3.878 5.684 30.804 1.00 0.00 C ATOM 544 CD LYS A 34 2.893 4.490 30.840 1.00 0.00 C ATOM 545 CE LYS A 34 1.721 4.639 29.851 1.00 0.00 C ATOM 546 NZ LYS A 34 0.798 3.475 29.913 1.00 0.00 N ATOM 0 H LYS A 34 6.967 4.823 33.235 1.00 0.00 H new ATOM 0 HA LYS A 34 5.411 3.355 31.511 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.721 5.410 32.774 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.702 6.401 31.712 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.346 6.595 31.077 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.239 5.819 29.784 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.436 3.572 30.614 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.496 4.385 31.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.170 5.553 30.074 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.110 4.741 28.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.022 3.611 29.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.318 2.606 29.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.407 3.393 30.873 1.00 0.00 H new ATOM 560 N TYR A 35 7.543 5.205 29.776 1.00 0.00 N ATOM 561 CA TYR A 35 8.150 5.406 28.444 1.00 0.00 C ATOM 562 C TYR A 35 8.906 4.143 28.012 1.00 0.00 C ATOM 563 O TYR A 35 8.826 3.748 26.849 1.00 0.00 O ATOM 564 CB TYR A 35 9.089 6.630 28.437 1.00 0.00 C ATOM 565 CG TYR A 35 9.837 6.878 27.113 1.00 0.00 C ATOM 566 CD1 TYR A 35 9.156 7.249 25.956 1.00 0.00 C ATOM 567 CD2 TYR A 35 11.225 6.772 27.030 1.00 0.00 C ATOM 568 CE1 TYR A 35 9.828 7.493 24.774 1.00 0.00 C ATOM 569 CE2 TYR A 35 11.898 7.021 25.852 1.00 0.00 C ATOM 570 CZ TYR A 35 11.196 7.386 24.728 1.00 0.00 C ATOM 571 OH TYR A 35 11.870 7.639 23.550 1.00 0.00 O ATOM 0 H TYR A 35 7.965 5.772 30.511 1.00 0.00 H new ATOM 0 HA TYR A 35 7.349 5.598 27.730 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.504 7.518 28.676 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.824 6.508 29.233 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.081 7.348 25.984 1.00 0.00 H new ATOM 0 HD2 TYR A 35 11.786 6.488 27.908 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.277 7.768 23.886 1.00 0.00 H new ATOM 0 HE2 TYR A 35 12.973 6.929 25.813 1.00 0.00 H new ATOM 0 HH TYR A 35 12.832 7.519 23.691 1.00 0.00 H new ATOM 581 N ALA A 36 9.612 3.523 28.978 1.00 0.00 N ATOM 582 CA ALA A 36 10.377 2.287 28.742 1.00 0.00 C ATOM 583 C ALA A 36 9.451 1.115 28.355 1.00 0.00 C ATOM 584 O ALA A 36 9.784 0.349 27.446 1.00 0.00 O ATOM 585 CB ALA A 36 11.238 1.929 29.961 1.00 0.00 C ATOM 0 H ALA A 36 9.667 3.864 29.938 1.00 0.00 H new ATOM 0 HA ALA A 36 11.045 2.471 27.900 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.792 1.012 29.759 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.939 2.739 30.162 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.596 1.781 30.829 1.00 0.00 H new ATOM 591 N GLU A 37 8.280 0.987 29.017 1.00 0.00 N ATOM 592 CA GLU A 37 7.253 -0.022 28.726 1.00 0.00 C ATOM 593 C GLU A 37 6.639 0.228 27.358 1.00 0.00 C ATOM 594 O GLU A 37 6.548 -0.672 26.576 1.00 0.00 O ATOM 595 CB GLU A 37 6.147 -0.018 29.821 1.00 0.00 C ATOM 596 CG GLU A 37 6.652 -0.111 31.275 1.00 0.00 C ATOM 597 CD GLU A 37 7.539 -1.331 31.565 1.00 0.00 C ATOM 598 OE1 GLU A 37 7.000 -2.431 31.816 1.00 0.00 O ATOM 599 OE2 GLU A 37 8.778 -1.194 31.551 1.00 0.00 O ATOM 0 H GLU A 37 8.022 1.602 29.788 1.00 0.00 H new ATOM 0 HA GLU A 37 7.730 -1.002 28.724 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.560 0.894 29.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.473 -0.854 29.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.213 0.794 31.510 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.792 -0.136 31.944 1.00 0.00 H new ATOM 606 N LEU A 38 6.150 1.447 27.148 1.00 0.00 N ATOM 607 CA LEU A 38 5.668 1.908 25.827 1.00 0.00 C ATOM 608 C LEU A 38 6.658 1.590 24.676 1.00 0.00 C ATOM 609 O LEU A 38 6.226 1.270 23.586 1.00 0.00 O ATOM 610 CB LEU A 38 5.348 3.410 25.869 1.00 0.00 C ATOM 611 CG LEU A 38 4.132 3.806 26.747 1.00 0.00 C ATOM 612 CD1 LEU A 38 3.998 5.336 26.819 1.00 0.00 C ATOM 613 CD2 LEU A 38 2.832 3.135 26.242 1.00 0.00 C ATOM 0 H LEU A 38 6.072 2.151 27.882 1.00 0.00 H new ATOM 0 HA LEU A 38 4.756 1.351 25.612 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.227 3.942 26.234 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.167 3.754 24.851 1.00 0.00 H new ATOM 0 HG LEU A 38 4.303 3.439 27.759 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.140 5.597 27.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.903 5.760 27.254 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.856 5.736 25.815 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.998 3.432 26.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.636 3.448 25.217 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.945 2.051 26.275 1.00 0.00 H new ATOM 625 N GLU A 39 7.964 1.735 24.939 1.00 0.00 N ATOM 626 CA GLU A 39 9.045 1.296 24.020 1.00 0.00 C ATOM 627 C GLU A 39 9.053 -0.241 23.799 1.00 0.00 C ATOM 628 O GLU A 39 9.394 -0.696 22.719 1.00 0.00 O ATOM 629 CB GLU A 39 10.424 1.777 24.547 1.00 0.00 C ATOM 630 CG GLU A 39 10.713 3.267 24.282 1.00 0.00 C ATOM 631 CD GLU A 39 12.080 3.715 24.804 1.00 0.00 C ATOM 632 OE1 GLU A 39 12.298 3.665 26.030 1.00 0.00 O ATOM 633 OE2 GLU A 39 12.948 4.103 23.993 1.00 0.00 O ATOM 0 H GLU A 39 8.311 2.162 25.798 1.00 0.00 H new ATOM 0 HA GLU A 39 8.848 1.753 23.050 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.475 1.593 25.620 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.207 1.178 24.083 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.660 3.456 23.210 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.936 3.871 24.751 1.00 0.00 H new ATOM 640 N LYS A 40 8.739 -0.988 24.864 1.00 0.00 N ATOM 641 CA LYS A 40 8.586 -2.481 24.805 1.00 0.00 C ATOM 642 C LYS A 40 7.355 -2.870 23.944 1.00 0.00 C ATOM 643 O LYS A 40 7.453 -3.666 23.015 1.00 0.00 O ATOM 644 CB LYS A 40 8.464 -3.102 26.222 1.00 0.00 C ATOM 645 CG LYS A 40 9.648 -2.792 27.147 1.00 0.00 C ATOM 646 CD LYS A 40 9.470 -3.385 28.566 1.00 0.00 C ATOM 647 CE LYS A 40 10.622 -3.019 29.509 1.00 0.00 C ATOM 648 NZ LYS A 40 10.820 -1.552 29.595 1.00 0.00 N ATOM 0 H LYS A 40 8.581 -0.597 25.793 1.00 0.00 H new ATOM 0 HA LYS A 40 9.487 -2.882 24.340 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.548 -2.739 26.688 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.366 -4.183 26.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.562 -3.187 26.705 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.772 -1.712 27.222 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.532 -3.027 28.990 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.395 -4.470 28.495 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.418 -3.417 30.503 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.541 -3.490 29.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.585 -1.344 30.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.073 -1.180 28.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.941 -1.102 29.920 1.00 0.00 H new ATOM 662 N GLU A 41 6.205 -2.309 24.338 1.00 0.00 N ATOM 663 CA GLU A 41 4.904 -2.466 23.649 1.00 0.00 C ATOM 664 C GLU A 41 4.987 -2.081 22.162 1.00 0.00 C ATOM 665 O GLU A 41 4.408 -2.738 21.302 1.00 0.00 O ATOM 666 CB GLU A 41 3.820 -1.604 24.366 1.00 0.00 C ATOM 667 CG GLU A 41 3.649 -1.894 25.877 1.00 0.00 C ATOM 668 CD GLU A 41 3.610 -3.397 26.217 1.00 0.00 C ATOM 669 OE1 GLU A 41 2.553 -4.033 26.024 1.00 0.00 O ATOM 670 OE2 GLU A 41 4.644 -3.946 26.658 1.00 0.00 O ATOM 0 H GLU A 41 6.145 -1.716 25.166 1.00 0.00 H new ATOM 0 HA GLU A 41 4.629 -3.520 23.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.072 -0.551 24.240 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.863 -1.764 23.870 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.469 -1.428 26.423 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.728 -1.427 26.226 1.00 0.00 H new ATOM 677 N LYS A 42 5.708 -0.990 21.919 1.00 0.00 N ATOM 678 CA LYS A 42 6.025 -0.519 20.564 1.00 0.00 C ATOM 679 C LYS A 42 6.949 -1.542 19.863 1.00 0.00 C ATOM 680 O LYS A 42 6.645 -1.970 18.775 1.00 0.00 O ATOM 681 CB LYS A 42 6.653 0.902 20.604 1.00 0.00 C ATOM 682 CG LYS A 42 7.120 1.487 19.229 1.00 0.00 C ATOM 683 CD LYS A 42 8.660 1.502 19.061 1.00 0.00 C ATOM 684 CE LYS A 42 9.378 2.377 20.102 1.00 0.00 C ATOM 685 NZ LYS A 42 10.852 2.358 19.901 1.00 0.00 N ATOM 0 H LYS A 42 6.093 -0.401 22.657 1.00 0.00 H new ATOM 0 HA LYS A 42 5.105 -0.440 19.985 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.925 1.587 21.039 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.511 0.879 21.276 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.679 0.900 18.424 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.740 2.504 19.127 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.036 0.482 19.133 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.906 1.862 18.062 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.013 3.402 20.033 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.141 2.021 21.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.308 2.957 20.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.202 1.383 19.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.078 2.721 18.953 1.00 0.00 H new ATOM 699 N ALA A 43 8.064 -1.912 20.532 1.00 0.00 N ATOM 700 CA ALA A 43 9.070 -2.908 20.026 1.00 0.00 C ATOM 701 C ALA A 43 8.430 -4.240 19.564 1.00 0.00 C ATOM 702 O ALA A 43 8.826 -4.804 18.535 1.00 0.00 O ATOM 703 CB ALA A 43 10.151 -3.197 21.082 1.00 0.00 C ATOM 0 H ALA A 43 8.305 -1.532 21.447 1.00 0.00 H new ATOM 0 HA ALA A 43 9.528 -2.443 19.153 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.863 -3.921 20.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.673 -2.273 21.330 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.684 -3.602 21.980 1.00 0.00 H new ATOM 709 N THR A 44 7.429 -4.718 20.317 1.00 0.00 N ATOM 710 CA THR A 44 6.660 -5.943 20.074 1.00 0.00 C ATOM 711 C THR A 44 5.642 -5.717 18.960 1.00 0.00 C ATOM 712 O THR A 44 5.451 -6.579 18.109 1.00 0.00 O ATOM 713 CB THR A 44 5.938 -6.385 21.389 1.00 0.00 C ATOM 714 OG1 THR A 44 6.901 -6.493 22.449 1.00 0.00 O ATOM 715 CG2 THR A 44 5.204 -7.727 21.243 1.00 0.00 C ATOM 0 H THR A 44 7.118 -4.232 21.158 1.00 0.00 H new ATOM 0 HA THR A 44 7.342 -6.734 19.762 1.00 0.00 H new ATOM 0 HB THR A 44 5.191 -5.624 21.615 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.163 -5.596 22.746 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.722 -7.983 22.187 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.450 -7.646 20.460 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.919 -8.506 20.978 1.00 0.00 H new ATOM 723 N LEU A 45 4.950 -4.565 19.051 1.00 0.00 N ATOM 724 CA LEU A 45 4.058 -4.124 17.954 1.00 0.00 C ATOM 725 C LEU A 45 4.796 -4.135 16.602 1.00 0.00 C ATOM 726 O LEU A 45 4.240 -4.607 15.623 1.00 0.00 O ATOM 727 CB LEU A 45 3.393 -2.732 18.206 1.00 0.00 C ATOM 728 CG LEU A 45 1.889 -2.763 18.655 1.00 0.00 C ATOM 729 CD1 LEU A 45 1.276 -1.351 18.681 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.058 -3.713 17.759 1.00 0.00 C ATOM 0 H LEU A 45 4.987 -3.934 19.851 1.00 0.00 H new ATOM 0 HA LEU A 45 3.245 -4.850 17.924 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.969 -2.208 18.969 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.467 -2.144 17.291 1.00 0.00 H new ATOM 0 HG LEU A 45 1.861 -3.151 19.673 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.234 -1.412 18.996 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.831 -0.726 19.381 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.328 -0.913 17.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.021 -3.714 18.094 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.105 -3.372 16.725 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.462 -4.723 17.827 1.00 0.00 H new ATOM 742 N GLU A 46 6.047 -3.641 16.573 1.00 0.00 N ATOM 743 CA GLU A 46 6.919 -3.699 15.400 1.00 0.00 C ATOM 744 C GLU A 46 7.175 -5.166 15.010 1.00 0.00 C ATOM 745 O GLU A 46 6.678 -5.601 13.974 1.00 0.00 O ATOM 746 CB GLU A 46 8.255 -2.947 15.644 1.00 0.00 C ATOM 747 CG GLU A 46 8.114 -1.466 16.058 1.00 0.00 C ATOM 748 CD GLU A 46 9.465 -0.744 16.173 1.00 0.00 C ATOM 749 OE1 GLU A 46 10.135 -0.862 17.228 1.00 0.00 O ATOM 750 OE2 GLU A 46 9.877 -0.075 15.203 1.00 0.00 O ATOM 0 H GLU A 46 6.480 -3.186 17.377 1.00 0.00 H new ATOM 0 HA GLU A 46 6.415 -3.197 14.574 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.812 -3.472 16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.852 -2.997 14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.492 -0.948 15.328 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.596 -1.410 17.015 1.00 0.00 H new ATOM 757 N ALA A 47 7.979 -5.902 15.821 1.00 0.00 N ATOM 758 CA ALA A 47 8.236 -7.363 15.723 1.00 0.00 C ATOM 759 C ALA A 47 7.054 -8.199 15.152 1.00 0.00 C ATOM 760 O ALA A 47 7.275 -9.066 14.317 1.00 0.00 O ATOM 761 CB ALA A 47 8.645 -7.903 17.104 1.00 0.00 C ATOM 0 H ALA A 47 8.488 -5.475 16.595 1.00 0.00 H new ATOM 0 HA ALA A 47 9.044 -7.478 15.000 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.834 -8.974 17.034 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.550 -7.396 17.440 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.842 -7.722 17.818 1.00 0.00 H new ATOM 767 N GLU A 48 5.816 -7.906 15.595 1.00 0.00 N ATOM 768 CA GLU A 48 4.538 -8.442 15.076 1.00 0.00 C ATOM 769 C GLU A 48 4.250 -7.960 13.640 1.00 0.00 C ATOM 770 O GLU A 48 4.235 -8.736 12.716 1.00 0.00 O ATOM 771 CB GLU A 48 3.395 -7.966 16.035 1.00 0.00 C ATOM 772 CG GLU A 48 1.964 -8.364 15.619 1.00 0.00 C ATOM 773 CD GLU A 48 1.641 -9.840 15.925 1.00 0.00 C ATOM 774 OE1 GLU A 48 1.882 -10.720 15.068 1.00 0.00 O ATOM 775 OE2 GLU A 48 1.157 -10.138 17.040 1.00 0.00 O ATOM 0 H GLU A 48 5.670 -7.254 16.366 1.00 0.00 H new ATOM 0 HA GLU A 48 4.597 -9.530 15.041 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.589 -8.368 17.030 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.442 -6.880 16.115 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.249 -7.725 16.138 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.837 -8.183 14.552 1.00 0.00 H new ATOM 782 N ILE A 49 4.036 -6.645 13.522 1.00 0.00 N ATOM 783 CA ILE A 49 3.693 -6.017 12.208 1.00 0.00 C ATOM 784 C ILE A 49 4.846 -6.138 11.169 1.00 0.00 C ATOM 785 O ILE A 49 4.639 -5.858 9.996 1.00 0.00 O ATOM 786 CB ILE A 49 3.224 -4.517 12.319 1.00 0.00 C ATOM 787 CG1 ILE A 49 4.424 -3.575 12.656 1.00 0.00 C ATOM 788 CG2 ILE A 49 2.066 -4.373 13.347 1.00 0.00 C ATOM 789 CD1 ILE A 49 4.083 -2.106 12.774 1.00 0.00 C ATOM 0 H ILE A 49 4.089 -5.988 14.301 1.00 0.00 H new ATOM 0 HA ILE A 49 2.840 -6.594 11.851 1.00 0.00 H new ATOM 0 HB ILE A 49 2.837 -4.208 11.348 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.869 -3.904 13.595 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.184 -3.693 11.884 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.760 -3.329 13.406 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.220 -4.982 13.029 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.406 -4.707 14.327 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.985 -1.541 13.010 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.669 -1.752 11.830 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.349 -1.965 13.568 1.00 0.00 H new ATOM 801 N ALA A 50 6.015 -6.662 11.582 1.00 0.00 N ATOM 802 CA ALA A 50 7.210 -6.825 10.747 1.00 0.00 C ATOM 803 C ALA A 50 7.393 -8.322 10.449 1.00 0.00 C ATOM 804 O ALA A 50 8.001 -8.684 9.474 1.00 0.00 O ATOM 805 CB ALA A 50 8.445 -6.258 11.461 1.00 0.00 C ATOM 0 H ALA A 50 6.154 -6.993 12.537 1.00 0.00 H new ATOM 0 HA ALA A 50 7.089 -6.277 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.323 -6.387 10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.295 -5.197 11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.596 -6.787 12.402 1.00 0.00 H new ATOM 811 N ARG A 51 6.930 -9.151 11.404 1.00 0.00 N ATOM 812 CA ARG A 51 6.695 -10.607 11.210 1.00 0.00 C ATOM 813 C ARG A 51 5.681 -10.776 10.053 1.00 0.00 C ATOM 814 O ARG A 51 5.904 -11.511 9.087 1.00 0.00 O ATOM 815 CB ARG A 51 6.164 -11.288 12.513 1.00 0.00 C ATOM 816 CG ARG A 51 6.293 -12.830 12.549 1.00 0.00 C ATOM 817 CD ARG A 51 7.765 -13.272 12.579 1.00 0.00 C ATOM 818 NE ARG A 51 7.934 -14.736 12.636 1.00 0.00 N ATOM 819 CZ ARG A 51 9.054 -15.393 12.286 1.00 0.00 C ATOM 820 NH1 ARG A 51 10.079 -14.748 11.736 1.00 0.00 N ATOM 821 NH2 ARG A 51 9.129 -16.699 12.474 1.00 0.00 N ATOM 0 H ARG A 51 6.704 -8.831 12.346 1.00 0.00 H new ATOM 0 HA ARG A 51 7.638 -11.096 10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.702 -10.874 13.366 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.114 -11.024 12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.777 -13.219 13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.801 -13.258 11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.270 -12.889 11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.254 -12.823 13.443 1.00 0.00 H new ATOM 0 HE ARG A 51 7.144 -15.291 12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.022 -13.742 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.922 -15.259 11.475 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.341 -17.202 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.975 -17.204 12.211 1.00 0.00 H new ATOM 835 N LEU A 52 4.595 -10.009 10.194 1.00 0.00 N ATOM 836 CA LEU A 52 3.534 -9.872 9.199 1.00 0.00 C ATOM 837 C LEU A 52 4.084 -9.279 7.897 1.00 0.00 C ATOM 838 O LEU A 52 3.769 -9.786 6.817 1.00 0.00 O ATOM 839 CB LEU A 52 2.328 -9.031 9.735 1.00 0.00 C ATOM 840 CG LEU A 52 1.209 -9.823 10.486 1.00 0.00 C ATOM 841 CD1 LEU A 52 0.586 -10.908 9.581 1.00 0.00 C ATOM 842 CD2 LEU A 52 1.722 -10.428 11.802 1.00 0.00 C ATOM 0 H LEU A 52 4.428 -9.450 11.031 1.00 0.00 H new ATOM 0 HA LEU A 52 3.155 -10.872 8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.717 -8.267 10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.872 -8.511 8.892 1.00 0.00 H new ATOM 0 HG LEU A 52 0.426 -9.109 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.189 -11.441 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.147 -10.439 8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.359 -11.611 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.914 -10.970 12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.543 -11.113 11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.074 -9.630 12.456 1.00 0.00 H new ATOM 854 N ARG A 53 4.906 -8.209 7.954 1.00 0.00 N ATOM 855 CA ARG A 53 5.513 -7.598 6.765 1.00 0.00 C ATOM 856 C ARG A 53 6.854 -8.247 6.364 1.00 0.00 C ATOM 857 O ARG A 53 7.500 -7.730 5.466 1.00 0.00 O ATOM 858 CB ARG A 53 5.688 -6.067 6.968 1.00 0.00 C ATOM 859 CG ARG A 53 4.372 -5.250 6.928 1.00 0.00 C ATOM 860 CD ARG A 53 4.607 -3.771 7.273 1.00 0.00 C ATOM 861 NE ARG A 53 5.679 -3.165 6.450 1.00 0.00 N ATOM 862 CZ ARG A 53 6.501 -2.175 6.847 1.00 0.00 C ATOM 863 NH1 ARG A 53 6.360 -1.612 8.040 1.00 0.00 N ATOM 864 NH2 ARG A 53 7.451 -1.746 6.031 1.00 0.00 N ATOM 0 H ARG A 53 5.163 -7.749 8.827 1.00 0.00 H new ATOM 0 HA ARG A 53 4.824 -7.778 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.176 -5.896 7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.358 -5.687 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.928 -5.325 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.657 -5.678 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.681 -3.215 7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.868 -3.683 8.328 1.00 0.00 H new ATOM 0 HE ARG A 53 5.805 -3.527 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.622 -1.928 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.990 -0.863 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.557 -2.165 5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.077 -0.996 6.326 1.00 0.00 H new ATOM 878 N GLU A 54 7.289 -9.353 7.017 1.00 0.00 N ATOM 879 CA GLU A 54 8.418 -10.169 6.493 1.00 0.00 C ATOM 880 C GLU A 54 7.829 -11.304 5.674 1.00 0.00 C ATOM 881 O GLU A 54 8.411 -11.684 4.653 1.00 0.00 O ATOM 882 CB GLU A 54 9.419 -10.671 7.580 1.00 0.00 C ATOM 883 CG GLU A 54 8.978 -11.851 8.449 1.00 0.00 C ATOM 884 CD GLU A 54 10.044 -12.257 9.476 1.00 0.00 C ATOM 885 OE1 GLU A 54 10.956 -13.038 9.124 1.00 0.00 O ATOM 886 OE2 GLU A 54 9.992 -11.784 10.632 1.00 0.00 O ATOM 0 H GLU A 54 6.887 -9.697 7.889 1.00 0.00 H new ATOM 0 HA GLU A 54 9.039 -9.529 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.348 -10.948 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.649 -9.834 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.057 -11.590 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.751 -12.704 7.809 1.00 0.00 H new ATOM 893 N VAL A 55 6.703 -11.904 6.161 1.00 0.00 N ATOM 894 CA VAL A 55 5.717 -12.484 5.204 1.00 0.00 C ATOM 895 C VAL A 55 5.529 -11.568 3.971 1.00 0.00 C ATOM 896 O VAL A 55 5.687 -12.029 2.850 1.00 0.00 O ATOM 897 CB VAL A 55 4.306 -12.804 5.846 1.00 0.00 C ATOM 898 CG1 VAL A 55 3.406 -13.576 4.851 1.00 0.00 C ATOM 899 CG2 VAL A 55 4.444 -13.589 7.170 1.00 0.00 C ATOM 0 H VAL A 55 6.465 -11.996 7.149 1.00 0.00 H new ATOM 0 HA VAL A 55 6.148 -13.437 4.897 1.00 0.00 H new ATOM 0 HB VAL A 55 3.832 -11.849 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.443 -13.783 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.254 -12.974 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.887 -14.516 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.454 -13.789 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.956 -14.532 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.019 -13.000 7.884 1.00 0.00 H new ATOM 909 N HIS A 56 5.261 -10.251 4.188 1.00 0.00 N ATOM 910 CA HIS A 56 5.160 -9.296 3.045 1.00 0.00 C ATOM 911 C HIS A 56 6.503 -8.611 2.664 1.00 0.00 C ATOM 912 O HIS A 56 6.513 -7.474 2.179 1.00 0.00 O ATOM 913 CB HIS A 56 4.064 -8.227 3.345 1.00 0.00 C ATOM 914 CG HIS A 56 2.656 -8.763 3.454 1.00 0.00 C ATOM 915 ND1 HIS A 56 1.567 -8.170 2.848 1.00 0.00 N ATOM 916 CD2 HIS A 56 2.158 -9.818 4.143 1.00 0.00 C ATOM 917 CE1 HIS A 56 0.475 -8.837 3.158 1.00 0.00 C ATOM 918 NE2 HIS A 56 0.806 -9.839 3.943 1.00 0.00 N ATOM 0 H HIS A 56 5.115 -9.836 5.108 1.00 0.00 H new ATOM 0 HA HIS A 56 4.881 -9.889 2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.317 -7.722 4.278 1.00 0.00 H new ATOM 0 HB3 HIS A 56 4.089 -7.473 2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.726 -10.515 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.525 -8.601 2.824 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.159 -10.521 4.338 1.00 0.00 H new ATOM 927 N SER A 57 7.623 -9.300 2.892 1.00 0.00 N ATOM 928 CA SER A 57 8.931 -8.977 2.258 1.00 0.00 C ATOM 929 C SER A 57 9.247 -10.089 1.257 1.00 0.00 C ATOM 930 O SER A 57 9.652 -9.840 0.118 1.00 0.00 O ATOM 931 CB SER A 57 10.066 -8.867 3.303 1.00 0.00 C ATOM 932 OG SER A 57 9.861 -7.790 4.190 1.00 0.00 O ATOM 0 H SER A 57 7.663 -10.102 3.521 1.00 0.00 H new ATOM 0 HA SER A 57 8.862 -8.009 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.130 -9.796 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.020 -8.739 2.791 1.00 0.00 H new ATOM 0 HG SER A 57 8.955 -7.839 4.560 1.00 0.00 H new ATOM 938 N GLN A 58 9.044 -11.329 1.730 1.00 0.00 N ATOM 939 CA GLN A 58 9.127 -12.554 0.917 1.00 0.00 C ATOM 940 C GLN A 58 7.976 -12.586 -0.100 1.00 0.00 C ATOM 941 O GLN A 58 8.105 -13.147 -1.196 1.00 0.00 O ATOM 942 CB GLN A 58 9.056 -13.792 1.853 1.00 0.00 C ATOM 943 CG GLN A 58 10.107 -13.773 2.992 1.00 0.00 C ATOM 944 CD GLN A 58 9.841 -14.787 4.109 1.00 0.00 C ATOM 945 OE1 GLN A 58 9.309 -15.871 3.877 1.00 0.00 O ATOM 946 NE2 GLN A 58 10.185 -14.421 5.335 1.00 0.00 N ATOM 0 H GLN A 58 8.813 -11.512 2.707 1.00 0.00 H new ATOM 0 HA GLN A 58 10.070 -12.570 0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.059 -13.849 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.194 -14.695 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.091 -13.968 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.139 -12.773 3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.625 -13.514 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.010 -15.046 6.122 1.00 0.00 H new ATOM 955 N LYS A 59 6.848 -11.977 0.309 1.00 0.00 N ATOM 956 CA LYS A 59 5.625 -11.870 -0.489 1.00 0.00 C ATOM 957 C LYS A 59 5.095 -10.426 -0.406 1.00 0.00 C ATOM 958 O LYS A 59 4.083 -10.201 0.265 1.00 0.00 O ATOM 959 CB LYS A 59 4.551 -12.900 0.012 1.00 0.00 C ATOM 960 CG LYS A 59 5.008 -14.377 -0.028 1.00 0.00 C ATOM 961 CD LYS A 59 4.030 -15.332 0.688 1.00 0.00 C ATOM 962 CE LYS A 59 4.535 -16.785 0.695 1.00 0.00 C ATOM 963 NZ LYS A 59 4.636 -17.363 -0.671 1.00 0.00 N ATOM 0 H LYS A 59 6.765 -11.537 1.226 1.00 0.00 H new ATOM 0 HA LYS A 59 5.844 -12.106 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.273 -12.647 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.653 -12.794 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.117 -14.690 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.991 -14.460 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.883 -14.996 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.058 -15.290 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.513 -16.823 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.861 -17.397 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.915 -18.363 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.714 -17.292 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.349 -16.840 -1.218 1.00 0.00 H new ATOM 977 N LEU A 60 5.791 -9.459 -1.092 1.00 0.00 N ATOM 978 CA LEU A 60 5.574 -7.976 -0.929 1.00 0.00 C ATOM 979 C LEU A 60 4.069 -7.631 -0.830 1.00 0.00 C ATOM 980 O LEU A 60 3.588 -7.127 0.195 1.00 0.00 O ATOM 981 CB LEU A 60 6.272 -7.164 -2.093 1.00 0.00 C ATOM 982 CG LEU A 60 6.446 -5.590 -1.911 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.468 -4.994 -2.916 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.114 -4.804 -2.025 1.00 0.00 C ATOM 0 H LEU A 60 6.517 -9.685 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 60 6.040 -7.678 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.262 -7.593 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.701 -7.333 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 60 6.823 -5.472 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.553 -3.919 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.441 -5.462 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.128 -5.182 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.307 -3.740 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.675 -4.972 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.422 -5.147 -1.256 1.00 0.00 H new ATOM 996 N SER A 61 3.359 -7.932 -1.905 1.00 0.00 N ATOM 997 CA SER A 61 1.894 -7.869 -1.971 1.00 0.00 C ATOM 998 C SER A 61 1.433 -9.057 -2.824 1.00 0.00 C ATOM 999 O SER A 61 2.277 -9.780 -3.334 1.00 0.00 O ATOM 1000 CB SER A 61 1.429 -6.513 -2.556 1.00 0.00 C ATOM 1001 OG SER A 61 0.032 -6.333 -2.399 1.00 0.00 O ATOM 0 H SER A 61 3.788 -8.235 -2.780 1.00 0.00 H new ATOM 0 HA SER A 61 1.450 -7.934 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.960 -5.700 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.687 -6.464 -3.614 1.00 0.00 H new ATOM 0 HG SER A 61 -0.231 -5.468 -2.776 1.00 0.00 H new ATOM 1007 N LYS A 62 0.113 -9.279 -2.976 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.402 -10.412 -3.769 1.00 0.00 C ATOM 1009 C LYS A 62 0.065 -10.286 -5.243 1.00 0.00 C ATOM 1010 O LYS A 62 0.980 -11.017 -5.688 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.952 -10.498 -3.701 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.551 -10.671 -2.289 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.099 -10.772 -2.329 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.742 -10.939 -0.941 1.00 0.00 C ATOM 1015 NZ LYS A 62 -4.558 -9.737 -0.084 1.00 0.00 N ATOM 0 H LYS A 62 -0.612 -8.693 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 62 0.000 -11.331 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.368 -9.593 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.279 -11.334 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.140 -11.569 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.258 -9.828 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.501 -9.875 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.383 -11.617 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.807 -11.139 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.308 -11.806 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.008 -9.897 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.542 -9.559 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.995 -8.913 -0.544 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.589 -9.369 -5.991 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.319 -9.059 -7.400 1.00 0.00 C ATOM 1031 C GLU A 63 1.174 -8.781 -7.646 1.00 0.00 C ATOM 1032 O GLU A 63 1.746 -9.322 -8.581 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.151 -7.823 -7.851 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.165 -7.575 -9.370 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.828 -8.722 -10.161 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.074 -8.732 -10.273 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -1.113 -9.626 -10.656 1.00 0.00 O ATOM 0 H GLU A 63 -1.348 -8.806 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.607 -9.933 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.178 -7.949 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.756 -6.936 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.695 -6.645 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.141 -7.443 -9.721 1.00 0.00 H new ATOM 1044 N ALA A 64 1.780 -7.948 -6.771 1.00 0.00 N ATOM 1045 CA ALA A 64 3.197 -7.537 -6.876 1.00 0.00 C ATOM 1046 C ALA A 64 4.136 -8.762 -6.870 1.00 0.00 C ATOM 1047 O ALA A 64 4.992 -8.899 -7.750 1.00 0.00 O ATOM 1048 CB ALA A 64 3.551 -6.570 -5.728 1.00 0.00 C ATOM 0 H ALA A 64 1.298 -7.541 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 64 3.336 -7.021 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.596 -6.272 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.916 -5.686 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.392 -7.067 -4.771 1.00 0.00 H new ATOM 1054 N GLN A 65 4.012 -9.563 -5.790 1.00 0.00 N ATOM 1055 CA GLN A 65 4.794 -10.823 -5.661 1.00 0.00 C ATOM 1056 C GLN A 65 4.664 -11.685 -6.948 1.00 0.00 C ATOM 1057 O GLN A 65 5.671 -12.216 -7.425 1.00 0.00 O ATOM 1058 CB GLN A 65 4.346 -11.657 -4.435 1.00 0.00 C ATOM 1059 CG GLN A 65 5.410 -12.580 -3.800 1.00 0.00 C ATOM 1060 CD GLN A 65 5.971 -13.696 -4.682 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.402 -14.780 -4.776 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.128 -13.453 -5.284 1.00 0.00 N ATOM 0 H GLN A 65 3.391 -9.369 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 65 5.836 -10.537 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.989 -10.970 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.496 -12.271 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.242 -11.960 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.976 -13.036 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.573 -12.541 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.573 -14.179 -5.846 1.00 0.00 H new ATOM 1071 N LYS A 66 3.444 -11.807 -7.542 1.00 0.00 N ATOM 1072 CA LYS A 66 3.202 -12.501 -8.821 1.00 0.00 C ATOM 1073 C LYS A 66 4.006 -11.889 -9.963 1.00 0.00 C ATOM 1074 O LYS A 66 4.639 -12.630 -10.724 1.00 0.00 O ATOM 1075 CB LYS A 66 1.697 -12.474 -9.169 1.00 0.00 C ATOM 1076 CG LYS A 66 1.337 -13.104 -10.536 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.150 -12.951 -10.881 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.547 -13.624 -12.204 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.937 -13.284 -12.583 1.00 0.00 N ATOM 0 H LYS A 66 2.595 -11.417 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 66 3.530 -13.533 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.148 -12.998 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.355 -11.439 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.938 -12.637 -11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.597 -14.163 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.747 -13.375 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.395 -11.890 -10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.135 -13.309 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.448 -14.705 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.177 -13.753 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.588 -13.606 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.024 -12.254 -12.697 1.00 0.00 H new ATOM 1093 N LEU A 67 3.933 -10.544 -10.095 1.00 0.00 N ATOM 1094 CA LEU A 67 4.690 -9.785 -11.096 1.00 0.00 C ATOM 1095 C LEU A 67 6.168 -10.203 -11.094 1.00 0.00 C ATOM 1096 O LEU A 67 6.695 -10.633 -12.121 1.00 0.00 O ATOM 1097 CB LEU A 67 4.555 -8.246 -10.862 1.00 0.00 C ATOM 1098 CG LEU A 67 3.106 -7.644 -10.908 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.114 -6.100 -10.755 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.351 -8.066 -12.183 1.00 0.00 C ATOM 0 H LEU A 67 3.342 -9.960 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 67 4.268 -10.014 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.989 -8.012 -9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.158 -7.735 -11.612 1.00 0.00 H new ATOM 0 HG LEU A 67 2.571 -8.057 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.091 -5.725 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.564 -5.831 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.693 -5.657 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.353 -7.629 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.895 -7.716 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.271 -9.153 -12.216 1.00 0.00 H new ATOM 1112 N MET A 68 6.835 -10.079 -9.941 1.00 0.00 N ATOM 1113 CA MET A 68 8.185 -10.585 -9.656 1.00 0.00 C ATOM 1114 C MET A 68 8.402 -12.034 -10.156 1.00 0.00 C ATOM 1115 O MET A 68 9.340 -12.271 -10.919 1.00 0.00 O ATOM 1116 CB MET A 68 8.468 -10.486 -8.133 1.00 0.00 C ATOM 1117 CG MET A 68 8.394 -9.064 -7.568 1.00 0.00 C ATOM 1118 SD MET A 68 8.824 -8.963 -5.814 1.00 0.00 S ATOM 1119 CE MET A 68 8.781 -7.185 -5.549 1.00 0.00 C ATOM 0 H MET A 68 6.428 -9.598 -9.139 1.00 0.00 H new ATOM 0 HA MET A 68 8.890 -9.961 -10.205 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.753 -11.113 -7.601 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.459 -10.893 -7.933 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.065 -8.420 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.385 -8.677 -7.710 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.026 -6.966 -4.510 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.507 -6.702 -6.203 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.783 -6.808 -5.774 1.00 0.00 H new ATOM 1129 N LYS A 69 7.541 -12.998 -9.747 1.00 0.00 N ATOM 1130 CA LYS A 69 7.727 -14.437 -10.098 1.00 0.00 C ATOM 1131 C LYS A 69 7.064 -14.832 -11.458 1.00 0.00 C ATOM 1132 O LYS A 69 6.881 -16.031 -11.720 1.00 0.00 O ATOM 1133 CB LYS A 69 7.168 -15.334 -8.953 1.00 0.00 C ATOM 1134 CG LYS A 69 5.629 -15.268 -8.792 1.00 0.00 C ATOM 1135 CD LYS A 69 5.061 -16.343 -7.842 1.00 0.00 C ATOM 1136 CE LYS A 69 3.522 -16.326 -7.790 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.976 -17.434 -6.967 1.00 0.00 N ATOM 0 H LYS A 69 6.715 -12.812 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 69 8.799 -14.597 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.459 -16.368 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.634 -15.037 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.353 -14.282 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.164 -15.379 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.400 -17.327 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.458 -16.184 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.185 -15.373 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.125 -16.398 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.937 -17.383 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.275 -18.345 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.333 -17.352 -5.993 1.00 0.00 H new ATOM 1151 N MET A 70 6.715 -13.838 -12.316 1.00 0.00 N ATOM 1152 CA MET A 70 6.131 -14.088 -13.672 1.00 0.00 C ATOM 1153 C MET A 70 7.062 -14.953 -14.562 1.00 0.00 C ATOM 1154 O MET A 70 8.272 -14.989 -14.333 1.00 0.00 O ATOM 1155 CB MET A 70 5.822 -12.745 -14.407 1.00 0.00 C ATOM 1156 CG MET A 70 4.472 -12.108 -14.066 1.00 0.00 C ATOM 1157 SD MET A 70 3.074 -13.124 -14.587 1.00 0.00 S ATOM 1158 CE MET A 70 1.738 -11.927 -14.559 1.00 0.00 C ATOM 0 H MET A 70 6.827 -12.848 -12.096 1.00 0.00 H new ATOM 0 HA MET A 70 5.204 -14.637 -13.510 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.612 -12.031 -14.172 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.861 -12.921 -15.482 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.414 -11.941 -12.990 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.404 -11.131 -14.544 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.858 -12.353 -15.041 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.499 -11.672 -13.526 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.044 -11.027 -15.093 1.00 0.00 H new ATOM 1168 N PRO A 71 6.500 -15.697 -15.571 1.00 0.00 N ATOM 1169 CA PRO A 71 7.313 -16.360 -16.601 1.00 0.00 C ATOM 1170 C PRO A 71 7.875 -15.360 -17.651 1.00 0.00 C ATOM 1171 O PRO A 71 9.088 -15.158 -17.706 1.00 0.00 O ATOM 1172 CB PRO A 71 6.341 -17.403 -17.215 1.00 0.00 C ATOM 1173 CG PRO A 71 4.980 -16.820 -17.013 1.00 0.00 C ATOM 1174 CD PRO A 71 5.050 -16.008 -15.732 1.00 0.00 C ATOM 0 HA PRO A 71 8.212 -16.824 -16.194 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.550 -17.564 -18.273 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.435 -18.370 -16.721 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.697 -16.191 -17.857 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.228 -17.605 -16.935 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.454 -15.098 -15.805 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.668 -16.573 -14.882 1.00 0.00 H new ATOM 1182 N PHE A 72 6.999 -14.749 -18.481 1.00 0.00 N ATOM 1183 CA PHE A 72 7.428 -13.896 -19.619 1.00 0.00 C ATOM 1184 C PHE A 72 7.344 -12.445 -19.134 1.00 0.00 C ATOM 1185 O PHE A 72 6.264 -12.035 -18.730 1.00 0.00 O ATOM 1186 CB PHE A 72 6.495 -14.080 -20.846 1.00 0.00 C ATOM 1187 CG PHE A 72 6.435 -15.497 -21.412 1.00 0.00 C ATOM 1188 CD1 PHE A 72 5.489 -16.407 -20.949 1.00 0.00 C ATOM 1189 CD2 PHE A 72 7.305 -15.909 -22.422 1.00 0.00 C ATOM 1190 CE1 PHE A 72 5.412 -17.677 -21.474 1.00 0.00 C ATOM 1191 CE2 PHE A 72 7.227 -17.183 -22.945 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.278 -18.066 -22.472 1.00 0.00 C ATOM 0 H PHE A 72 5.987 -14.830 -18.385 1.00 0.00 H new ATOM 0 HA PHE A 72 8.437 -14.167 -19.931 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.487 -13.776 -20.564 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.823 -13.404 -21.636 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.805 -16.112 -20.166 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.048 -15.222 -22.799 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.671 -18.370 -21.103 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.909 -17.489 -23.725 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.214 -19.062 -22.884 1.00 0.00 H new ATOM 1202 N GLN A 73 8.437 -11.648 -19.138 1.00 0.00 N ATOM 1203 CA GLN A 73 8.422 -10.288 -18.553 1.00 0.00 C ATOM 1204 C GLN A 73 9.609 -9.456 -19.090 1.00 0.00 C ATOM 1205 O GLN A 73 10.508 -9.995 -19.745 1.00 0.00 O ATOM 1206 CB GLN A 73 8.444 -10.320 -16.985 1.00 0.00 C ATOM 1207 CG GLN A 73 9.763 -10.782 -16.338 1.00 0.00 C ATOM 1208 CD GLN A 73 10.098 -12.252 -16.600 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.756 -12.600 -17.581 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.632 -13.124 -15.728 1.00 0.00 N ATOM 0 H GLN A 73 9.335 -11.921 -19.537 1.00 0.00 H new ATOM 0 HA GLN A 73 7.488 -9.815 -18.856 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.213 -9.320 -16.618 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.645 -10.978 -16.643 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.577 -10.161 -16.712 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.706 -10.618 -15.262 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.090 -12.803 -14.926 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.813 -14.120 -15.856 1.00 0.00 H new ATOM 1219 N ARG A 74 9.580 -8.152 -18.758 1.00 0.00 N ATOM 1220 CA ARG A 74 10.638 -7.166 -19.135 1.00 0.00 C ATOM 1221 C ARG A 74 10.306 -5.771 -18.601 1.00 0.00 C ATOM 1222 O ARG A 74 9.425 -5.611 -17.779 1.00 0.00 O ATOM 1223 CB ARG A 74 10.851 -7.115 -20.690 1.00 0.00 C ATOM 1224 CG ARG A 74 9.617 -6.698 -21.523 1.00 0.00 C ATOM 1225 CD ARG A 74 9.892 -6.729 -23.041 1.00 0.00 C ATOM 1226 NE ARG A 74 8.674 -6.498 -23.842 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.559 -6.723 -25.165 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.596 -7.124 -25.888 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.391 -6.544 -25.756 1.00 0.00 N ATOM 0 H ARG A 74 8.821 -7.739 -18.217 1.00 0.00 H new ATOM 0 HA ARG A 74 11.568 -7.501 -18.676 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.663 -6.420 -20.904 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.177 -8.099 -21.026 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.786 -7.365 -21.294 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.309 -5.693 -21.233 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.634 -5.970 -23.288 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.322 -7.694 -23.309 1.00 0.00 H new ATOM 0 HE ARG A 74 7.853 -6.139 -23.354 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.503 -7.268 -25.443 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.487 -7.289 -26.889 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.585 -6.238 -25.211 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.295 -6.712 -26.757 1.00 0.00 H new ATOM 1243 N ALA A 75 11.061 -4.770 -19.060 1.00 0.00 N ATOM 1244 CA ALA A 75 10.731 -3.353 -18.915 1.00 0.00 C ATOM 1245 C ALA A 75 10.546 -2.823 -20.340 1.00 0.00 C ATOM 1246 O ALA A 75 11.467 -2.961 -21.151 1.00 0.00 O ATOM 1247 CB ALA A 75 11.852 -2.625 -18.155 1.00 0.00 C ATOM 0 H ALA A 75 11.939 -4.928 -19.554 1.00 0.00 H new ATOM 0 HA ALA A 75 9.824 -3.190 -18.333 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.597 -1.570 -18.052 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.968 -3.068 -17.166 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.787 -2.720 -18.707 1.00 0.00 H new ATOM 1253 N ILE A 76 9.387 -2.222 -20.683 1.00 0.00 N ATOM 1254 CA ILE A 76 8.864 -2.118 -22.045 1.00 0.00 C ATOM 1255 C ILE A 76 9.604 -1.004 -22.809 1.00 0.00 C ATOM 1256 O ILE A 76 9.618 0.148 -22.356 1.00 0.00 O ATOM 1257 CB ILE A 76 7.325 -1.764 -21.964 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.533 -2.843 -21.147 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.708 -1.550 -23.364 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.500 -4.234 -21.776 1.00 0.00 C ATOM 0 H ILE A 76 8.777 -1.785 -19.992 1.00 0.00 H new ATOM 0 HA ILE A 76 9.010 -3.062 -22.569 1.00 0.00 H new ATOM 0 HB ILE A 76 7.241 -0.818 -21.430 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.974 -2.921 -20.153 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.508 -2.496 -21.014 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.650 -1.309 -23.262 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.221 -0.729 -23.866 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.818 -2.461 -23.953 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.930 -4.909 -21.137 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.029 -4.178 -22.757 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.518 -4.609 -21.883 1.00 0.00 H new ATOM 1272 N THR A 77 10.211 -1.361 -23.952 1.00 0.00 N ATOM 1273 CA THR A 77 10.977 -0.425 -24.794 1.00 0.00 C ATOM 1274 C THR A 77 10.076 0.658 -25.423 1.00 0.00 C ATOM 1275 O THR A 77 8.876 0.445 -25.602 1.00 0.00 O ATOM 1276 CB THR A 77 11.727 -1.188 -25.937 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.796 -1.988 -26.669 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.847 -2.082 -25.401 1.00 0.00 C ATOM 0 H THR A 77 10.185 -2.312 -24.321 1.00 0.00 H new ATOM 0 HA THR A 77 11.700 0.061 -24.139 1.00 0.00 H new ATOM 0 HB THR A 77 12.182 -0.439 -26.585 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.283 -2.593 -27.266 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.337 -2.589 -26.232 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.576 -1.472 -24.868 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.427 -2.823 -24.720 1.00 0.00 H new ATOM 1286 N LYS A 78 10.702 1.809 -25.751 1.00 0.00 N ATOM 1287 CA LYS A 78 10.084 2.896 -26.553 1.00 0.00 C ATOM 1288 C LYS A 78 9.559 2.373 -27.899 1.00 0.00 C ATOM 1289 O LYS A 78 8.625 2.933 -28.476 1.00 0.00 O ATOM 1290 CB LYS A 78 11.115 4.015 -26.819 1.00 0.00 C ATOM 1291 CG LYS A 78 11.682 4.676 -25.551 1.00 0.00 C ATOM 1292 CD LYS A 78 12.744 5.767 -25.853 1.00 0.00 C ATOM 1293 CE LYS A 78 12.135 7.098 -26.351 1.00 0.00 C ATOM 1294 NZ LYS A 78 11.461 7.021 -27.676 1.00 0.00 N ATOM 0 H LYS A 78 11.659 2.015 -25.466 1.00 0.00 H new ATOM 0 HA LYS A 78 9.245 3.289 -25.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.941 3.601 -27.397 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.648 4.783 -27.436 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.864 5.121 -24.984 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.128 3.909 -24.918 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.325 5.957 -24.951 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.437 5.390 -26.605 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.414 7.450 -25.613 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.927 7.845 -26.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.566 7.929 -28.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.895 6.265 -28.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.451 6.815 -27.540 1.00 0.00 H new ATOM 1308 N LYS A 79 10.225 1.321 -28.393 1.00 0.00 N ATOM 1309 CA LYS A 79 9.836 0.532 -29.563 1.00 0.00 C ATOM 1310 C LYS A 79 8.412 -0.026 -29.399 1.00 0.00 C ATOM 1311 O LYS A 79 7.570 0.146 -30.281 1.00 0.00 O ATOM 1312 CB LYS A 79 10.841 -0.633 -29.762 1.00 0.00 C ATOM 1313 CG LYS A 79 12.227 -0.203 -30.282 1.00 0.00 C ATOM 1314 CD LYS A 79 12.176 0.240 -31.759 1.00 0.00 C ATOM 1315 CE LYS A 79 11.786 -0.916 -32.700 1.00 0.00 C ATOM 1316 NZ LYS A 79 11.784 -0.508 -34.124 1.00 0.00 N ATOM 0 H LYS A 79 11.088 0.984 -27.967 1.00 0.00 H new ATOM 0 HA LYS A 79 9.850 1.180 -30.440 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.969 -1.151 -28.812 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.412 -1.350 -30.461 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.606 0.616 -29.670 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.928 -1.031 -30.175 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.458 1.053 -31.868 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.149 0.633 -32.053 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.482 -1.743 -32.563 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.796 -1.284 -32.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.516 -1.319 -34.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.101 0.264 -34.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.734 -0.182 -34.393 1.00 0.00 H new ATOM 1330 N GLU A 80 8.158 -0.731 -28.282 1.00 0.00 N ATOM 1331 CA GLU A 80 6.852 -1.330 -27.988 1.00 0.00 C ATOM 1332 C GLU A 80 5.836 -0.254 -27.532 1.00 0.00 C ATOM 1333 O GLU A 80 4.630 -0.479 -27.591 1.00 0.00 O ATOM 1334 CB GLU A 80 7.005 -2.423 -26.906 1.00 0.00 C ATOM 1335 CG GLU A 80 8.040 -3.518 -27.227 1.00 0.00 C ATOM 1336 CD GLU A 80 7.727 -4.313 -28.507 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.965 -5.301 -28.426 1.00 0.00 O ATOM 1338 OE2 GLU A 80 8.243 -3.959 -29.592 1.00 0.00 O ATOM 0 H GLU A 80 8.857 -0.899 -27.559 1.00 0.00 H new ATOM 0 HA GLU A 80 6.469 -1.785 -28.901 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.283 -1.946 -25.966 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.035 -2.896 -26.749 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.023 -3.057 -27.328 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.097 -4.209 -26.386 1.00 0.00 H new ATOM 1345 N GLN A 81 6.346 0.903 -27.065 1.00 0.00 N ATOM 1346 CA GLN A 81 5.524 2.104 -26.792 1.00 0.00 C ATOM 1347 C GLN A 81 5.006 2.762 -28.081 1.00 0.00 C ATOM 1348 O GLN A 81 3.942 3.380 -28.078 1.00 0.00 O ATOM 1349 CB GLN A 81 6.347 3.105 -25.940 1.00 0.00 C ATOM 1350 CG GLN A 81 6.679 2.592 -24.516 1.00 0.00 C ATOM 1351 CD GLN A 81 7.725 3.432 -23.783 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.845 4.635 -23.998 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.498 2.795 -22.923 1.00 0.00 N ATOM 0 H GLN A 81 7.338 1.034 -26.866 1.00 0.00 H new ATOM 0 HA GLN A 81 4.641 1.794 -26.233 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.278 3.331 -26.461 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.792 4.040 -25.859 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.763 2.573 -23.925 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.036 1.564 -24.585 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.372 1.795 -22.768 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.221 3.303 -22.414 1.00 0.00 H new ATOM 1362 N ALA A 82 5.770 2.622 -29.172 1.00 0.00 N ATOM 1363 CA ALA A 82 5.349 2.983 -30.537 1.00 0.00 C ATOM 1364 C ALA A 82 4.146 2.148 -31.021 1.00 0.00 C ATOM 1365 O ALA A 82 3.419 2.576 -31.925 1.00 0.00 O ATOM 1366 CB ALA A 82 6.532 2.864 -31.517 1.00 0.00 C ATOM 0 H ALA A 82 6.718 2.247 -29.132 1.00 0.00 H new ATOM 0 HA ALA A 82 5.020 4.022 -30.509 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.202 3.134 -32.520 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.332 3.535 -31.205 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.900 1.838 -31.520 1.00 0.00 H new ATOM 1372 N ASP A 83 3.937 0.963 -30.412 1.00 0.00 N ATOM 1373 CA ASP A 83 2.893 0.007 -30.839 1.00 0.00 C ATOM 1374 C ASP A 83 2.213 -0.636 -29.624 1.00 0.00 C ATOM 1375 O ASP A 83 1.861 -1.828 -29.662 1.00 0.00 O ATOM 1376 CB ASP A 83 3.520 -1.093 -31.747 1.00 0.00 C ATOM 1377 CG ASP A 83 4.107 -0.542 -33.057 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.326 -0.221 -33.975 1.00 0.00 O ATOM 1379 OD2 ASP A 83 5.348 -0.424 -33.175 1.00 0.00 O ATOM 0 H ASP A 83 4.484 0.642 -29.613 1.00 0.00 H new ATOM 0 HA ASP A 83 2.137 0.551 -31.405 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.306 -1.606 -31.193 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.759 -1.836 -31.983 1.00 0.00 H new ATOM 1384 N MET A 84 1.919 0.181 -28.588 1.00 0.00 N ATOM 1385 CA MET A 84 1.432 -0.349 -27.287 1.00 0.00 C ATOM 1386 C MET A 84 0.065 -1.053 -27.418 1.00 0.00 C ATOM 1387 O MET A 84 -0.231 -2.026 -26.698 1.00 0.00 O ATOM 1388 CB MET A 84 1.403 0.753 -26.199 1.00 0.00 C ATOM 1389 CG MET A 84 1.084 0.245 -24.781 1.00 0.00 C ATOM 1390 SD MET A 84 1.753 1.281 -23.462 1.00 0.00 S ATOM 1391 CE MET A 84 3.500 0.906 -23.603 1.00 0.00 C ATOM 0 H MET A 84 2.007 1.197 -28.622 1.00 0.00 H new ATOM 0 HA MET A 84 2.147 -1.107 -26.968 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.371 1.254 -26.182 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.661 1.501 -26.478 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.002 0.180 -24.664 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.478 -0.765 -24.671 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.975 1.014 -22.628 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.625 -0.118 -23.956 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.964 1.593 -24.311 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.707 -0.605 -28.409 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.032 -1.143 -28.655 1.00 0.00 C ATOM 1403 C GLY A 85 -1.981 -2.536 -29.271 1.00 0.00 C ATOM 1404 O GLY A 85 -2.834 -3.368 -28.958 1.00 0.00 O ATOM 0 H GLY A 85 -0.429 0.134 -29.054 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.587 -1.182 -27.717 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.577 -0.473 -29.320 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.954 -2.828 -30.118 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.743 -4.159 -30.747 1.00 0.00 C ATOM 1410 C LYS A 86 0.247 -4.957 -29.824 1.00 0.00 C ATOM 1411 O LYS A 86 0.356 -6.188 -29.892 1.00 0.00 O ATOM 1412 CB LYS A 86 -0.164 -3.923 -32.184 1.00 0.00 C ATOM 1413 CG LYS A 86 0.331 -5.171 -32.979 1.00 0.00 C ATOM 1414 CD LYS A 86 1.816 -5.539 -32.720 1.00 0.00 C ATOM 1415 CE LYS A 86 2.794 -4.419 -33.103 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.194 -4.737 -32.703 1.00 0.00 N ATOM 0 H LYS A 86 -0.247 -2.142 -30.383 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.663 -4.736 -30.847 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.933 -3.429 -32.779 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.670 -3.226 -32.100 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.294 -6.025 -32.720 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.194 -4.987 -34.045 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.945 -5.780 -31.665 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.064 -6.438 -33.284 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.753 -4.255 -34.180 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.484 -3.489 -32.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.821 -3.955 -32.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.239 -4.868 -31.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.501 -5.611 -33.177 1.00 0.00 H new ATOM 1430 N LEU A 87 0.834 -4.166 -28.883 1.00 0.00 N ATOM 1431 CA LEU A 87 1.838 -4.729 -27.969 1.00 0.00 C ATOM 1432 C LEU A 87 1.076 -5.593 -26.969 1.00 0.00 C ATOM 1433 O LEU A 87 1.406 -6.755 -26.765 1.00 0.00 O ATOM 1434 CB LEU A 87 2.650 -3.650 -27.205 1.00 0.00 C ATOM 1435 CG LEU A 87 3.353 -4.108 -25.879 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.455 -5.155 -26.134 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.860 -2.899 -25.073 1.00 0.00 C ATOM 0 H LEU A 87 0.632 -3.175 -28.748 1.00 0.00 H new ATOM 0 HA LEU A 87 2.566 -5.295 -28.550 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.413 -3.258 -27.877 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.980 -2.824 -26.968 1.00 0.00 H new ATOM 0 HG LEU A 87 2.603 -4.609 -25.267 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.912 -5.441 -25.186 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.018 -6.035 -26.606 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.215 -4.731 -26.790 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.342 -3.247 -24.160 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.578 -2.338 -25.671 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.019 -2.254 -24.816 1.00 0.00 H new ATOM 1449 N LYS A 88 0.012 -5.017 -26.393 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.644 -5.513 -25.184 1.00 0.00 C ATOM 1451 C LYS A 88 -1.744 -6.542 -25.535 1.00 0.00 C ATOM 1452 O LYS A 88 -2.019 -7.462 -24.752 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.256 -4.275 -24.477 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.235 -3.402 -23.714 1.00 0.00 C ATOM 1455 CD LYS A 88 -0.870 -2.128 -23.117 1.00 0.00 C ATOM 1456 CE LYS A 88 -2.038 -2.418 -22.172 1.00 0.00 C ATOM 1457 NZ LYS A 88 -2.600 -1.177 -21.590 1.00 0.00 N ATOM 0 H LYS A 88 -0.424 -4.174 -26.767 1.00 0.00 H new ATOM 0 HA LYS A 88 0.068 -6.024 -24.536 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.757 -3.658 -25.223 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.020 -4.613 -23.777 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.213 -3.990 -22.913 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.572 -3.119 -24.390 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.106 -1.568 -22.577 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.219 -1.490 -23.929 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.819 -2.951 -22.714 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.701 -3.075 -21.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.389 -1.417 -20.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.862 -0.681 -21.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.945 -0.561 -22.353 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.335 -6.377 -26.742 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.551 -7.114 -27.159 1.00 0.00 C ATOM 1473 C LYS A 89 -3.272 -8.620 -27.340 1.00 0.00 C ATOM 1474 O LYS A 89 -4.065 -9.458 -26.902 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.167 -6.475 -28.449 1.00 0.00 C ATOM 1476 CG LYS A 89 -3.267 -6.475 -29.727 1.00 0.00 C ATOM 1477 CD LYS A 89 -3.459 -7.694 -30.672 1.00 0.00 C ATOM 1478 CE LYS A 89 -4.838 -7.715 -31.346 1.00 0.00 C ATOM 1479 NZ LYS A 89 -5.048 -6.543 -32.237 1.00 0.00 N ATOM 0 H LYS A 89 -1.984 -5.733 -27.451 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.287 -7.028 -26.360 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.091 -7.003 -28.683 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.438 -5.444 -28.223 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.465 -5.564 -30.291 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.223 -6.437 -29.417 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.685 -7.678 -31.439 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.324 -8.614 -30.103 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.943 -8.632 -31.925 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.614 -7.731 -30.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.922 -6.675 -32.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.127 -5.680 -31.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.242 -6.453 -32.888 1.00 0.00 H new ATOM 1493 N SER A 90 -2.124 -8.936 -27.965 1.00 0.00 N ATOM 1494 CA SER A 90 -1.704 -10.321 -28.261 1.00 0.00 C ATOM 1495 C SER A 90 -1.479 -11.104 -26.953 1.00 0.00 C ATOM 1496 O SER A 90 -1.862 -12.272 -26.804 1.00 0.00 O ATOM 1497 CB SER A 90 -0.402 -10.279 -29.108 1.00 0.00 C ATOM 1498 OG SER A 90 -0.089 -11.553 -29.652 1.00 0.00 O ATOM 0 H SER A 90 -1.455 -8.234 -28.282 1.00 0.00 H new ATOM 0 HA SER A 90 -2.486 -10.831 -28.824 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.516 -9.556 -29.916 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.425 -9.935 -28.487 1.00 0.00 H new ATOM 0 HG SER A 90 0.734 -11.490 -30.180 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.852 -10.391 -26.027 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.469 -10.915 -24.704 1.00 0.00 C ATOM 1506 C VAL A 91 -1.716 -11.062 -23.790 1.00 0.00 C ATOM 1507 O VAL A 91 -1.641 -11.690 -22.729 1.00 0.00 O ATOM 1508 CB VAL A 91 0.577 -9.968 -24.010 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.456 -10.727 -22.997 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.437 -9.212 -25.029 1.00 0.00 C ATOM 0 H VAL A 91 -0.587 -9.416 -26.167 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.017 -11.896 -24.854 1.00 0.00 H new ATOM 0 HB VAL A 91 0.002 -9.226 -23.456 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.165 -10.036 -22.541 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.825 -11.163 -22.223 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.001 -11.519 -23.510 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.144 -8.571 -24.503 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.983 -9.926 -25.645 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.796 -8.601 -25.664 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.834 -10.441 -24.234 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.163 -10.487 -23.593 1.00 0.00 C ATOM 1522 C ARG A 92 -4.190 -9.647 -22.303 1.00 0.00 C ATOM 1523 O ARG A 92 -4.736 -8.534 -22.290 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.641 -11.947 -23.331 1.00 0.00 C ATOM 1525 CG ARG A 92 -4.692 -12.853 -24.585 1.00 0.00 C ATOM 1526 CD ARG A 92 -4.838 -14.334 -24.219 1.00 0.00 C ATOM 1527 NE ARG A 92 -3.741 -14.775 -23.323 1.00 0.00 N ATOM 1528 CZ ARG A 92 -3.901 -15.313 -22.106 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.110 -15.522 -21.614 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -2.845 -15.644 -21.392 1.00 0.00 N ATOM 0 H ARG A 92 -2.831 -9.873 -25.081 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.870 -10.045 -24.295 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.977 -12.405 -22.597 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.635 -11.913 -22.885 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.528 -12.552 -25.216 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.784 -12.712 -25.171 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.798 -14.498 -23.730 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.835 -14.938 -25.127 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.786 -14.659 -23.661 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.934 -15.273 -22.162 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.219 -15.932 -20.687 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.908 -15.491 -21.766 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.964 -16.054 -20.465 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.576 -10.178 -21.232 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.622 -9.560 -19.906 1.00 0.00 C ATOM 1546 C GLY A 93 -2.561 -8.490 -19.685 1.00 0.00 C ATOM 1547 O GLY A 93 -2.836 -7.551 -18.944 1.00 0.00 O ATOM 0 H GLY A 93 -3.038 -11.044 -21.266 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.607 -9.117 -19.757 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.504 -10.336 -19.150 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.377 -8.659 -20.362 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.101 -7.870 -20.181 1.00 0.00 C ATOM 1553 C LEU A 94 -0.177 -6.693 -19.176 1.00 0.00 C ATOM 1554 O LEU A 94 -0.997 -5.779 -19.317 1.00 0.00 O ATOM 1555 CB LEU A 94 0.431 -7.327 -21.545 1.00 0.00 C ATOM 1556 CG LEU A 94 1.798 -6.545 -21.503 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.923 -7.367 -20.840 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.244 -6.090 -22.906 1.00 0.00 C ATOM 0 H LEU A 94 -1.279 -9.378 -21.079 1.00 0.00 H new ATOM 0 HA LEU A 94 0.587 -8.598 -19.752 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.540 -8.169 -22.229 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.327 -6.668 -21.969 1.00 0.00 H new ATOM 0 HG LEU A 94 1.616 -5.661 -20.892 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.845 -6.785 -20.835 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.641 -7.609 -19.815 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.079 -8.289 -21.401 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.191 -5.555 -22.831 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.370 -6.962 -23.548 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.488 -5.431 -23.332 1.00 0.00 H new ATOM 1570 N VAL A 95 0.809 -6.643 -18.282 1.00 0.00 N ATOM 1571 CA VAL A 95 0.843 -5.757 -17.129 1.00 0.00 C ATOM 1572 C VAL A 95 1.883 -4.700 -17.493 1.00 0.00 C ATOM 1573 O VAL A 95 2.938 -5.058 -18.000 1.00 0.00 O ATOM 1574 CB VAL A 95 1.276 -6.509 -15.819 1.00 0.00 C ATOM 1575 CG1 VAL A 95 1.430 -5.535 -14.628 1.00 0.00 C ATOM 1576 CG2 VAL A 95 0.296 -7.661 -15.483 1.00 0.00 C ATOM 0 H VAL A 95 1.633 -7.241 -18.346 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.142 -5.340 -16.921 1.00 0.00 H new ATOM 0 HB VAL A 95 2.255 -6.951 -16.005 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.730 -6.091 -13.740 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.190 -4.790 -14.863 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.479 -5.037 -14.440 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.622 -8.162 -14.572 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.705 -7.256 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.280 -8.377 -16.305 1.00 0.00 H new ATOM 1586 N VAL A 96 1.563 -3.413 -17.297 1.00 0.00 N ATOM 1587 CA VAL A 96 2.472 -2.288 -17.623 1.00 0.00 C ATOM 1588 C VAL A 96 2.426 -1.283 -16.449 1.00 0.00 C ATOM 1589 O VAL A 96 1.349 -0.814 -16.077 1.00 0.00 O ATOM 1590 CB VAL A 96 2.109 -1.567 -18.985 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.185 -0.521 -19.365 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.905 -2.582 -20.149 1.00 0.00 C ATOM 0 H VAL A 96 0.668 -3.115 -16.908 1.00 0.00 H new ATOM 0 HA VAL A 96 3.477 -2.687 -17.760 1.00 0.00 H new ATOM 0 HB VAL A 96 1.161 -1.052 -18.827 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.910 -0.041 -20.304 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.254 0.232 -18.580 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.149 -1.016 -19.479 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.658 -2.042 -21.063 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.822 -3.151 -20.300 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.092 -3.264 -19.899 1.00 0.00 H new ATOM 1602 N VAL A 97 3.599 -0.955 -15.879 1.00 0.00 N ATOM 1603 CA VAL A 97 3.732 -0.197 -14.614 1.00 0.00 C ATOM 1604 C VAL A 97 4.714 0.964 -14.856 1.00 0.00 C ATOM 1605 O VAL A 97 5.836 0.732 -15.323 1.00 0.00 O ATOM 1606 CB VAL A 97 4.263 -1.108 -13.433 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.288 -0.338 -12.087 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.450 -2.430 -13.300 1.00 0.00 C ATOM 0 H VAL A 97 4.498 -1.211 -16.288 1.00 0.00 H new ATOM 0 HA VAL A 97 2.750 0.173 -14.319 1.00 0.00 H new ATOM 0 HB VAL A 97 5.288 -1.380 -13.686 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.658 -0.994 -11.299 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.944 0.528 -12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.280 -0.006 -11.839 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.850 -3.022 -12.477 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.404 -2.196 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.526 -2.999 -14.227 1.00 0.00 H new ATOM 1618 N HIS A 98 4.299 2.203 -14.548 1.00 0.00 N ATOM 1619 CA HIS A 98 5.097 3.410 -14.838 1.00 0.00 C ATOM 1620 C HIS A 98 6.001 3.720 -13.608 1.00 0.00 C ATOM 1621 O HIS A 98 5.557 3.537 -12.473 1.00 0.00 O ATOM 1622 CB HIS A 98 4.153 4.606 -15.164 1.00 0.00 C ATOM 1623 CG HIS A 98 4.863 5.786 -15.786 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.489 6.742 -15.019 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.070 6.072 -17.096 1.00 0.00 C ATOM 1626 CE1 HIS A 98 6.058 7.571 -15.882 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.831 7.202 -17.139 1.00 0.00 N ATOM 0 H HIS A 98 3.407 2.398 -14.094 1.00 0.00 H new ATOM 0 HA HIS A 98 5.731 3.243 -15.709 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.370 4.266 -15.842 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.662 4.931 -14.247 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.702 5.512 -17.943 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.635 8.439 -15.599 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.164 7.676 -17.979 1.00 0.00 H new ATOM 1635 N PRO A 99 7.286 4.172 -13.809 1.00 0.00 N ATOM 1636 CA PRO A 99 8.215 4.485 -12.690 1.00 0.00 C ATOM 1637 C PRO A 99 7.722 5.627 -11.774 1.00 0.00 C ATOM 1638 O PRO A 99 7.827 5.519 -10.559 1.00 0.00 O ATOM 1639 CB PRO A 99 9.532 4.888 -13.410 1.00 0.00 C ATOM 1640 CG PRO A 99 9.109 5.284 -14.787 1.00 0.00 C ATOM 1641 CD PRO A 99 7.958 4.372 -15.122 1.00 0.00 C ATOM 0 HA PRO A 99 8.319 3.633 -12.018 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.027 5.712 -12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.238 4.058 -13.437 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.805 6.330 -14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.926 5.166 -15.499 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.287 4.823 -15.853 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.302 3.429 -15.545 1.00 0.00 H new ATOM 1649 N MET A 100 7.178 6.701 -12.389 1.00 0.00 N ATOM 1650 CA MET A 100 6.852 7.957 -11.669 1.00 0.00 C ATOM 1651 C MET A 100 5.543 7.855 -10.866 1.00 0.00 C ATOM 1652 O MET A 100 5.251 8.730 -10.039 1.00 0.00 O ATOM 1653 CB MET A 100 6.802 9.160 -12.642 1.00 0.00 C ATOM 1654 CG MET A 100 8.120 9.418 -13.385 1.00 0.00 C ATOM 1655 SD MET A 100 8.198 11.062 -14.137 1.00 0.00 S ATOM 1656 CE MET A 100 6.732 11.096 -15.179 1.00 0.00 C ATOM 0 H MET A 100 6.954 6.725 -13.384 1.00 0.00 H new ATOM 0 HA MET A 100 7.656 8.121 -10.951 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.012 8.990 -13.373 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.531 10.055 -12.083 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.951 9.303 -12.689 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.247 8.663 -14.161 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.543 12.118 -15.508 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.889 10.458 -16.048 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.874 10.733 -14.612 1.00 0.00 H new ATOM 1666 N THR A 101 4.762 6.792 -11.115 1.00 0.00 N ATOM 1667 CA THR A 101 3.607 6.449 -10.264 1.00 0.00 C ATOM 1668 C THR A 101 4.126 5.805 -8.972 1.00 0.00 C ATOM 1669 O THR A 101 5.188 5.174 -8.986 1.00 0.00 O ATOM 1670 CB THR A 101 2.601 5.483 -10.978 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.214 4.206 -11.220 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.084 6.066 -12.306 1.00 0.00 C ATOM 0 H THR A 101 4.908 6.154 -11.898 1.00 0.00 H new ATOM 0 HA THR A 101 3.060 7.366 -10.047 1.00 0.00 H new ATOM 0 HB THR A 101 1.749 5.359 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.058 4.334 -11.702 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.390 5.363 -12.766 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.572 7.009 -12.115 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.924 6.239 -12.979 1.00 0.00 H new ATOM 1680 N ALA A 102 3.372 5.956 -7.874 1.00 0.00 N ATOM 1681 CA ALA A 102 3.807 5.528 -6.536 1.00 0.00 C ATOM 1682 C ALA A 102 4.111 4.019 -6.447 1.00 0.00 C ATOM 1683 O ALA A 102 5.022 3.640 -5.724 1.00 0.00 O ATOM 1684 CB ALA A 102 2.767 5.938 -5.485 1.00 0.00 C ATOM 0 H ALA A 102 2.444 6.378 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 102 4.749 6.038 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.100 5.616 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.650 7.022 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.811 5.468 -5.717 1.00 0.00 H new ATOM 1690 N LEU A 103 3.290 3.177 -7.136 1.00 0.00 N ATOM 1691 CA LEU A 103 3.468 1.692 -7.120 1.00 0.00 C ATOM 1692 C LEU A 103 4.920 1.330 -7.552 1.00 0.00 C ATOM 1693 O LEU A 103 5.611 0.580 -6.856 1.00 0.00 O ATOM 1694 CB LEU A 103 2.452 0.935 -8.032 1.00 0.00 C ATOM 1695 CG LEU A 103 2.510 -0.635 -7.952 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.200 -1.139 -6.520 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.576 -1.309 -8.993 1.00 0.00 C ATOM 0 H LEU A 103 2.505 3.495 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 103 3.277 1.369 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.444 1.258 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.624 1.235 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 103 3.531 -0.926 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.248 -2.228 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.932 -0.730 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.201 -0.814 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.650 -2.393 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.547 -0.998 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.875 -1.010 -9.998 1.00 0.00 H new ATOM 1709 N GLY A 104 5.394 1.933 -8.671 1.00 0.00 N ATOM 1710 CA GLY A 104 6.781 1.760 -9.127 1.00 0.00 C ATOM 1711 C GLY A 104 7.795 2.445 -8.225 1.00 0.00 C ATOM 1712 O GLY A 104 8.805 1.855 -7.844 1.00 0.00 O ATOM 0 H GLY A 104 4.832 2.540 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.010 0.696 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.877 2.156 -10.138 1.00 0.00 H new ATOM 1716 N ARG A 105 7.495 3.706 -7.918 1.00 0.00 N ATOM 1717 CA ARG A 105 8.284 4.524 -6.971 1.00 0.00 C ATOM 1718 C ARG A 105 8.551 3.774 -5.641 1.00 0.00 C ATOM 1719 O ARG A 105 9.599 3.984 -5.025 1.00 0.00 O ATOM 1720 CB ARG A 105 7.663 5.923 -6.697 1.00 0.00 C ATOM 1721 CG ARG A 105 7.847 6.927 -7.854 1.00 0.00 C ATOM 1722 CD ARG A 105 7.509 8.372 -7.472 1.00 0.00 C ATOM 1723 NE ARG A 105 6.084 8.555 -7.130 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.614 9.035 -5.967 1.00 0.00 C ATOM 1725 NH1 ARG A 105 6.430 9.303 -4.957 1.00 0.00 N ATOM 1726 NH2 ARG A 105 4.318 9.250 -5.827 1.00 0.00 N ATOM 0 H ARG A 105 6.696 4.200 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 105 9.240 4.696 -7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.598 5.804 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.111 6.338 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.879 6.884 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.217 6.624 -8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.123 8.672 -6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.767 9.032 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 105 5.398 8.294 -7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.433 9.145 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.055 9.667 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.682 9.052 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.954 9.614 -4.947 1.00 0.00 H new ATOM 1740 N GLU A 106 7.616 2.898 -5.197 1.00 0.00 N ATOM 1741 CA GLU A 106 7.769 2.089 -3.978 1.00 0.00 C ATOM 1742 C GLU A 106 8.480 0.759 -4.278 1.00 0.00 C ATOM 1743 O GLU A 106 9.373 0.342 -3.532 1.00 0.00 O ATOM 1744 CB GLU A 106 6.379 1.808 -3.341 1.00 0.00 C ATOM 1745 CG GLU A 106 6.426 1.173 -1.938 1.00 0.00 C ATOM 1746 CD GLU A 106 7.175 2.051 -0.913 1.00 0.00 C ATOM 1747 OE1 GLU A 106 6.577 3.017 -0.402 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.369 1.787 -0.625 1.00 0.00 O ATOM 0 H GLU A 106 6.733 2.737 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 106 8.381 2.656 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.826 2.746 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.818 1.149 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.409 1.000 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.912 0.199 -2.000 1.00 0.00 H new ATOM 1755 N MET A 107 8.075 0.086 -5.395 1.00 0.00 N ATOM 1756 CA MET A 107 8.609 -1.255 -5.741 1.00 0.00 C ATOM 1757 C MET A 107 10.074 -1.117 -6.247 1.00 0.00 C ATOM 1758 O MET A 107 10.746 -2.117 -6.479 1.00 0.00 O ATOM 1759 CB MET A 107 7.737 -1.960 -6.837 1.00 0.00 C ATOM 1760 CG MET A 107 6.382 -2.528 -6.355 1.00 0.00 C ATOM 1761 SD MET A 107 5.323 -3.108 -7.714 1.00 0.00 S ATOM 1762 CE MET A 107 6.317 -4.389 -8.493 1.00 0.00 C ATOM 0 H MET A 107 7.390 0.449 -6.059 1.00 0.00 H new ATOM 0 HA MET A 107 8.580 -1.871 -4.842 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.546 -1.246 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.318 -2.775 -7.269 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.566 -3.354 -5.668 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.852 -1.759 -5.793 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.724 -4.897 -9.254 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.194 -3.937 -8.957 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.636 -5.110 -7.740 1.00 0.00 H new ATOM 1772 N GLY A 108 10.541 0.144 -6.425 1.00 0.00 N ATOM 1773 CA GLY A 108 11.923 0.450 -6.804 1.00 0.00 C ATOM 1774 C GLY A 108 12.082 0.811 -8.273 1.00 0.00 C ATOM 1775 O GLY A 108 13.169 1.231 -8.692 1.00 0.00 O ATOM 0 H GLY A 108 9.959 0.973 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.284 1.277 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.552 -0.411 -6.579 1.00 0.00 H new ATOM 1779 N LEU A 109 10.996 0.669 -9.051 1.00 0.00 N ATOM 1780 CA LEU A 109 11.004 0.827 -10.512 1.00 0.00 C ATOM 1781 C LEU A 109 11.316 2.289 -10.925 1.00 0.00 C ATOM 1782 O LEU A 109 10.576 3.219 -10.581 1.00 0.00 O ATOM 1783 CB LEU A 109 9.646 0.368 -11.116 1.00 0.00 C ATOM 1784 CG LEU A 109 9.096 -1.014 -10.621 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.784 -1.389 -11.349 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.150 -2.147 -10.742 1.00 0.00 C ATOM 0 H LEU A 109 10.076 0.438 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 109 11.797 0.194 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.899 1.131 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.751 0.326 -12.200 1.00 0.00 H new ATOM 0 HG LEU A 109 8.873 -0.903 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.428 -2.352 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.030 -0.626 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.968 -1.453 -12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.720 -3.083 -10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.448 -2.257 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.024 -1.897 -10.140 1.00 0.00 H new ATOM 1798 N GLU A 110 12.446 2.456 -11.618 1.00 0.00 N ATOM 1799 CA GLU A 110 12.895 3.732 -12.234 1.00 0.00 C ATOM 1800 C GLU A 110 12.776 3.651 -13.779 1.00 0.00 C ATOM 1801 O GLU A 110 13.173 4.568 -14.502 1.00 0.00 O ATOM 1802 CB GLU A 110 14.347 4.018 -11.785 1.00 0.00 C ATOM 1803 CG GLU A 110 15.316 2.833 -12.003 1.00 0.00 C ATOM 1804 CD GLU A 110 16.691 3.044 -11.355 1.00 0.00 C ATOM 1805 OE1 GLU A 110 16.815 2.839 -10.122 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.650 3.431 -12.060 1.00 0.00 O ATOM 0 H GLU A 110 13.101 1.691 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 110 12.260 4.554 -11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.721 4.885 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.344 4.282 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.867 1.926 -11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.447 2.673 -13.073 1.00 0.00 H new ATOM 1813 N GLU A 111 12.165 2.546 -14.231 1.00 0.00 N ATOM 1814 CA GLU A 111 11.921 2.268 -15.664 1.00 0.00 C ATOM 1815 C GLU A 111 10.500 1.713 -15.838 1.00 0.00 C ATOM 1816 O GLU A 111 10.000 1.039 -14.926 1.00 0.00 O ATOM 1817 CB GLU A 111 12.980 1.255 -16.190 1.00 0.00 C ATOM 1818 CG GLU A 111 12.866 0.884 -17.679 1.00 0.00 C ATOM 1819 CD GLU A 111 13.027 2.082 -18.629 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.177 2.425 -18.972 1.00 0.00 O ATOM 1821 OE2 GLU A 111 12.010 2.687 -19.034 1.00 0.00 O ATOM 0 H GLU A 111 11.822 1.811 -13.612 1.00 0.00 H new ATOM 0 HA GLU A 111 12.011 3.188 -16.241 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.972 1.670 -16.013 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.906 0.341 -15.600 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.624 0.138 -17.917 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.896 0.420 -17.855 1.00 0.00 H new ATOM 1828 N MET A 112 9.818 2.055 -16.971 1.00 0.00 N ATOM 1829 CA MET A 112 8.506 1.463 -17.313 1.00 0.00 C ATOM 1830 C MET A 112 8.668 -0.049 -17.480 1.00 0.00 C ATOM 1831 O MET A 112 9.375 -0.508 -18.373 1.00 0.00 O ATOM 1832 CB MET A 112 7.907 2.060 -18.617 1.00 0.00 C ATOM 1833 CG MET A 112 6.690 1.278 -19.171 1.00 0.00 C ATOM 1834 SD MET A 112 5.783 2.159 -20.453 1.00 0.00 S ATOM 1835 CE MET A 112 4.859 3.329 -19.460 1.00 0.00 C ATOM 0 H MET A 112 10.159 2.733 -17.652 1.00 0.00 H new ATOM 0 HA MET A 112 7.818 1.694 -16.500 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.607 3.091 -18.427 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.684 2.090 -19.381 1.00 0.00 H new ATOM 0 HG2 MET A 112 7.034 0.325 -19.572 1.00 0.00 H new ATOM 0 HG3 MET A 112 6.011 1.051 -18.349 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.792 3.186 -19.628 1.00 0.00 H new ATOM 0 HE2 MET A 112 5.085 3.170 -18.406 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.137 4.345 -19.741 1.00 0.00 H new ATOM 1845 N THR A 113 8.007 -0.777 -16.602 1.00 0.00 N ATOM 1846 CA THR A 113 8.124 -2.229 -16.519 1.00 0.00 C ATOM 1847 C THR A 113 6.867 -2.912 -17.081 1.00 0.00 C ATOM 1848 O THR A 113 5.787 -2.336 -17.043 1.00 0.00 O ATOM 1849 CB THR A 113 8.400 -2.662 -15.038 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.375 -1.782 -14.442 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.942 -4.096 -14.947 1.00 0.00 C ATOM 0 H THR A 113 7.366 -0.378 -15.917 1.00 0.00 H new ATOM 0 HA THR A 113 8.968 -2.550 -17.130 1.00 0.00 H new ATOM 0 HB THR A 113 7.448 -2.609 -14.511 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.081 -2.314 -14.019 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.119 -4.353 -13.902 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.215 -4.787 -15.373 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.878 -4.167 -15.501 1.00 0.00 H new ATOM 1859 N GLY A 114 7.028 -4.128 -17.638 1.00 0.00 N ATOM 1860 CA GLY A 114 5.882 -4.989 -17.922 1.00 0.00 C ATOM 1861 C GLY A 114 6.069 -6.427 -17.495 1.00 0.00 C ATOM 1862 O GLY A 114 7.189 -6.861 -17.220 1.00 0.00 O ATOM 0 H GLY A 114 7.932 -4.525 -17.895 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.003 -4.584 -17.420 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.678 -4.963 -18.992 1.00 0.00 H new ATOM 1866 N PHE A 115 4.973 -7.212 -17.517 1.00 0.00 N ATOM 1867 CA PHE A 115 4.929 -8.568 -16.946 1.00 0.00 C ATOM 1868 C PHE A 115 3.765 -9.323 -17.607 1.00 0.00 C ATOM 1869 O PHE A 115 2.709 -8.710 -17.840 1.00 0.00 O ATOM 1870 CB PHE A 115 4.644 -8.542 -15.413 1.00 0.00 C ATOM 1871 CG PHE A 115 5.632 -7.768 -14.545 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.841 -8.336 -14.161 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.325 -6.487 -14.085 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.710 -7.656 -13.337 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.197 -5.801 -13.268 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.393 -6.390 -12.887 1.00 0.00 C ATOM 0 H PHE A 115 4.090 -6.919 -17.935 1.00 0.00 H new ATOM 0 HA PHE A 115 5.895 -9.042 -17.121 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.651 -8.119 -15.259 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.611 -9.571 -15.056 1.00 0.00 H new ATOM 0 HD1 PHE A 115 7.102 -9.323 -14.513 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.391 -6.027 -14.373 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.642 -8.115 -13.042 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.950 -4.807 -12.925 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.075 -5.859 -12.239 1.00 0.00 H new ATOM 1886 N SER A 116 3.946 -10.626 -17.923 1.00 0.00 N ATOM 1887 CA SER A 116 2.761 -11.484 -18.149 1.00 0.00 C ATOM 1888 C SER A 116 3.049 -12.998 -17.994 1.00 0.00 C ATOM 1889 O SER A 116 4.190 -13.453 -17.787 1.00 0.00 O ATOM 1890 CB SER A 116 2.215 -11.204 -19.580 1.00 0.00 C ATOM 1891 OG SER A 116 0.976 -11.862 -19.827 1.00 0.00 O ATOM 0 H SER A 116 4.850 -11.087 -18.023 1.00 0.00 H new ATOM 0 HA SER A 116 2.029 -11.233 -17.382 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.086 -10.130 -19.713 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.950 -11.530 -20.316 1.00 0.00 H new ATOM 0 HG SER A 116 0.287 -11.196 -20.033 1.00 0.00 H new ATOM 1897 N LYS A 117 1.947 -13.752 -18.107 1.00 0.00 N ATOM 1898 CA LYS A 117 1.920 -15.210 -18.211 1.00 0.00 C ATOM 1899 C LYS A 117 2.068 -15.652 -19.679 1.00 0.00 C ATOM 1900 O LYS A 117 2.267 -16.838 -19.962 1.00 0.00 O ATOM 1901 CB LYS A 117 0.568 -15.719 -17.644 1.00 0.00 C ATOM 1902 CG LYS A 117 0.418 -15.591 -16.104 1.00 0.00 C ATOM 1903 CD LYS A 117 1.204 -16.674 -15.326 1.00 0.00 C ATOM 1904 CE LYS A 117 0.726 -18.102 -15.664 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.429 -19.145 -14.866 1.00 0.00 N ATOM 0 H LYS A 117 1.013 -13.342 -18.129 1.00 0.00 H new ATOM 0 HA LYS A 117 2.751 -15.630 -17.644 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.241 -15.166 -18.121 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.445 -16.766 -17.921 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.763 -14.605 -15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.638 -15.657 -15.841 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.266 -16.585 -15.556 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.094 -16.501 -14.255 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.347 -18.174 -15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.885 -18.293 -16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.071 -20.085 -15.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.450 -19.097 -15.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.257 -18.982 -13.853 1.00 0.00 H new ATOM 1919 N THR A 118 1.975 -14.677 -20.599 1.00 0.00 N ATOM 1920 CA THR A 118 1.921 -14.911 -22.046 1.00 0.00 C ATOM 1921 C THR A 118 3.121 -14.209 -22.714 1.00 0.00 C ATOM 1922 O THR A 118 3.643 -13.228 -22.177 1.00 0.00 O ATOM 1923 CB THR A 118 0.562 -14.367 -22.635 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.438 -14.315 -21.605 1.00 0.00 O ATOM 1925 CG2 THR A 118 0.033 -15.244 -23.776 1.00 0.00 C ATOM 0 H THR A 118 1.935 -13.689 -20.350 1.00 0.00 H new ATOM 0 HA THR A 118 1.973 -15.981 -22.247 1.00 0.00 H new ATOM 0 HB THR A 118 0.766 -13.370 -23.027 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.997 -13.520 -21.732 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.904 -14.830 -24.149 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.765 -15.271 -24.583 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.139 -16.255 -23.408 1.00 0.00 H new ATOM 1933 N THR A 119 3.534 -14.721 -23.886 1.00 0.00 N ATOM 1934 CA THR A 119 4.711 -14.218 -24.634 1.00 0.00 C ATOM 1935 C THR A 119 4.479 -12.795 -25.204 1.00 0.00 C ATOM 1936 O THR A 119 3.337 -12.422 -25.518 1.00 0.00 O ATOM 1937 CB THR A 119 5.096 -15.219 -25.787 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.277 -14.783 -26.481 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.954 -15.423 -26.801 1.00 0.00 C ATOM 0 H THR A 119 3.062 -15.499 -24.347 1.00 0.00 H new ATOM 0 HA THR A 119 5.539 -14.150 -23.929 1.00 0.00 H new ATOM 0 HB THR A 119 5.291 -16.176 -25.302 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.495 -15.423 -27.190 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.274 -16.122 -27.574 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.080 -15.824 -26.288 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.699 -14.467 -27.259 1.00 0.00 H new ATOM 1947 N PHE A 120 5.577 -12.003 -25.296 1.00 0.00 N ATOM 1948 CA PHE A 120 5.570 -10.647 -25.895 1.00 0.00 C ATOM 1949 C PHE A 120 7.004 -10.141 -26.165 1.00 0.00 C ATOM 1950 O PHE A 120 7.904 -10.414 -25.345 1.00 0.00 O ATOM 1951 CB PHE A 120 4.791 -9.626 -25.022 1.00 0.00 C ATOM 1952 CG PHE A 120 5.297 -9.396 -23.593 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.158 -10.376 -22.614 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.885 -8.191 -23.225 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.594 -10.161 -21.326 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.317 -7.977 -21.936 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.173 -8.958 -20.985 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.208 -9.441 -27.178 1.00 0.00 O ATOM 0 H PHE A 120 6.495 -12.289 -24.955 1.00 0.00 H new ATOM 0 HA PHE A 120 5.050 -10.732 -26.849 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.794 -8.667 -25.540 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.753 -9.954 -24.964 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.701 -11.320 -22.869 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.005 -7.411 -23.962 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.482 -10.936 -20.582 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.771 -7.034 -21.671 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.512 -8.787 -19.974 1.00 0.00 H new TER 1968 PHE A 120