USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1112 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 9 MET CE :methyl 159:sc= -0.732 (180deg=-1.75) USER MOD Set 1.2: A 12 MET CE :methyl -174:sc= -0.574 (180deg=-0.72) USER MOD Set 1.3: A 118 CYS SG : rot 40:sc= -0.0485 USER MOD Set 2.1: A 83 HIS : +bothHN:sc= 1.36 K(o=-0.41,f=-6.6!) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= -1.77! USER MOD Set 3.1: A 79 ASN : amide:sc= -0.0434 K(o=0.48,f=-0.51) USER MOD Set 3.2: A 81 HIS : +bothHN:sc= 0.521 K(o=0.48,f=-6.6!) USER MOD Set 4.1: A 57 MET CE :methyl -161:sc= -0.142 (180deg=-0.811) USER MOD Set 4.2: A 62 GLN : amide:sc= -2.28! C(o=-2.4!,f=-3.6!) USER MOD Set 5.1: A 25 CYS SG : rot -94:sc= 0.546 USER MOD Set 5.2: A 47 ASN : amide:sc= 1.04 K(o=1.6,f=0.57) USER MOD Set 6.1: A 7 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.04) USER MOD Set 6.2: A 8 GLN : amide:sc= -2.13 K(o=-0.99,f=-2.3) USER MOD Set 7.1: A 1 MET CE :methyl 166:sc= 0 (180deg=-0.101) USER MOD Set 7.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.1 (180deg=0.688) USER MOD Single : A 5 THR OG1 : rot 150:sc= -3.78! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -1.17 F(o=-2.1,f=-1.2) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD Single : A 43 TYR OH : rot 80:sc= -0.0213 USER MOD Single : A 46 ASN : amide:sc= 0.022 K(o=0.022,f=-0.7) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= 1.02 K(o=1,f=-4!) USER MOD Single : A 56 SER OG : rot 114:sc= 1.21 USER MOD Single : A 64 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -155:sc= -0.341 (180deg=-1.42!) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= 0.996 (180deg=-0.047) USER MOD Single : A 72 ASN : amide:sc= -0.246 K(o=-0.25,f=-1) USER MOD Single : A 76 MET CE :methyl 160:sc= -0.133 (180deg=-0.549) USER MOD Single : A 82 SER OG : rot 78:sc= 0.845 USER MOD Single : A 91 SER OG : rot 91:sc= 1.27 USER MOD Single : A 95 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.484) USER MOD Single : A 102 SER OG : rot -29:sc= 0.0222 USER MOD Single : A 104 SER OG : rot -160:sc= 0 USER MOD Single : A 105 TYR OH : rot 77:sc= 2.4 USER MOD Single : A 109 SER OG : rot 76:sc= 1.13 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.1) USER MOD Single : A 120 SER OG : rot -140:sc= 0.111 USER MOD Single : A 124 LYS NZ :NH3+ -162:sc= -0.0791 (180deg=-0.396) USER MOD Single : A 125 LYS NZ :NH3+ -148:sc= -0.196 (180deg=-0.922) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.943 -3.564 4.395 1.00 0.00 N ATOM 2 CA MET A 1 -13.343 -3.642 3.042 1.00 0.00 C ATOM 3 C MET A 1 -12.415 -2.454 2.816 1.00 0.00 C ATOM 4 O MET A 1 -12.410 -1.504 3.602 1.00 0.00 O ATOM 5 CB MET A 1 -14.431 -3.675 1.956 1.00 0.00 C ATOM 6 CG MET A 1 -15.025 -2.313 1.609 1.00 0.00 C ATOM 7 SD MET A 1 -15.841 -1.517 3.004 1.00 0.00 S ATOM 8 CE MET A 1 -16.344 0.034 2.263 1.00 0.00 C ATOM 0 H1 MET A 1 -14.288 -4.504 4.676 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.225 -3.241 5.075 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.737 -2.892 4.384 1.00 0.00 H new ATOM 0 HA MET A 1 -12.769 -4.566 2.976 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.010 -4.114 1.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.235 -4.334 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.233 -1.662 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.742 -2.433 0.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.068 0.529 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.472 0.676 2.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.798 -0.158 1.291 1.00 0.00 H new ATOM 20 N ILE A 2 -11.623 -2.515 1.754 1.00 0.00 N ATOM 21 CA ILE A 2 -10.750 -1.407 1.388 1.00 0.00 C ATOM 22 C ILE A 2 -11.184 -0.808 0.055 1.00 0.00 C ATOM 23 O ILE A 2 -11.403 -1.529 -0.920 1.00 0.00 O ATOM 24 CB ILE A 2 -9.262 -1.837 1.318 1.00 0.00 C ATOM 25 CG1 ILE A 2 -8.411 -0.724 0.688 1.00 0.00 C ATOM 26 CG2 ILE A 2 -9.103 -3.141 0.549 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.954 -1.089 0.510 1.00 0.00 C ATOM 0 H ILE A 2 -11.567 -3.320 1.130 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.839 -0.653 2.170 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.910 -2.007 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.831 -0.465 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.478 0.167 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.049 -3.418 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.670 -3.928 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.476 -3.012 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.421 -0.251 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.515 -1.318 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.874 -1.961 -0.139 1.00 0.00 H new ATOM 39 N THR A 3 -11.326 0.505 0.025 1.00 0.00 N ATOM 40 CA THR A 3 -11.740 1.192 -1.181 1.00 0.00 C ATOM 41 C THR A 3 -10.624 2.095 -1.700 1.00 0.00 C ATOM 42 O THR A 3 -10.076 2.914 -0.957 1.00 0.00 O ATOM 43 CB THR A 3 -13.001 2.037 -0.922 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.979 1.250 -0.228 1.00 0.00 O ATOM 45 CG2 THR A 3 -13.597 2.543 -2.229 1.00 0.00 C ATOM 0 H THR A 3 -11.160 1.116 0.825 1.00 0.00 H new ATOM 0 HA THR A 3 -11.965 0.435 -1.932 1.00 0.00 H new ATOM 0 HB THR A 3 -12.716 2.895 -0.313 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.779 1.792 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 3 -14.486 3.137 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.864 3.160 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.868 1.695 -2.858 1.00 0.00 H new ATOM 53 N LEU A 4 -10.280 1.929 -2.967 1.00 0.00 N ATOM 54 CA LEU A 4 -9.310 2.794 -3.620 1.00 0.00 C ATOM 55 C LEU A 4 -9.708 3.001 -5.068 1.00 0.00 C ATOM 56 O LEU A 4 -10.556 2.278 -5.594 1.00 0.00 O ATOM 57 CB LEU A 4 -7.880 2.245 -3.502 1.00 0.00 C ATOM 58 CG LEU A 4 -7.662 0.798 -3.950 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.470 0.715 -5.457 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.466 0.198 -3.229 1.00 0.00 C ATOM 0 H LEU A 4 -10.661 1.198 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.312 3.758 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.220 2.886 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.567 2.330 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.552 0.225 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.317 -0.324 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.355 1.106 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.600 1.304 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.322 -0.831 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.573 0.780 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.643 0.215 -2.154 1.00 0.00 H new ATOM 72 N THR A 5 -9.116 3.985 -5.712 1.00 0.00 N ATOM 73 CA THR A 5 -9.541 4.351 -7.051 1.00 0.00 C ATOM 74 C THR A 5 -8.637 3.718 -8.099 1.00 0.00 C ATOM 75 O THR A 5 -7.547 3.230 -7.781 1.00 0.00 O ATOM 76 CB THR A 5 -9.569 5.883 -7.235 1.00 0.00 C ATOM 77 OG1 THR A 5 -8.238 6.400 -7.333 1.00 0.00 O ATOM 78 CG2 THR A 5 -10.276 6.546 -6.064 1.00 0.00 C ATOM 0 H THR A 5 -8.348 4.541 -5.337 1.00 0.00 H new ATOM 0 HA THR A 5 -10.554 3.972 -7.185 1.00 0.00 H new ATOM 0 HB THR A 5 -10.110 6.102 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.239 7.202 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.287 7.626 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.300 6.178 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.749 6.310 -5.140 1.00 0.00 H new ATOM 86 N LYS A 6 -9.104 3.720 -9.340 1.00 0.00 N ATOM 87 CA LYS A 6 -8.353 3.156 -10.455 1.00 0.00 C ATOM 88 C LYS A 6 -6.979 3.801 -10.557 1.00 0.00 C ATOM 89 O LYS A 6 -5.971 3.121 -10.731 1.00 0.00 O ATOM 90 CB LYS A 6 -9.112 3.406 -11.754 1.00 0.00 C ATOM 91 CG LYS A 6 -8.645 2.556 -12.925 1.00 0.00 C ATOM 92 CD LYS A 6 -9.247 3.041 -14.233 1.00 0.00 C ATOM 93 CE LYS A 6 -10.764 3.090 -14.171 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.347 3.662 -15.411 1.00 0.00 N ATOM 0 H LYS A 6 -10.009 4.110 -9.602 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.233 2.086 -10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.172 3.218 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.014 4.458 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.557 2.587 -12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.925 1.516 -12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.860 4.033 -14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.937 2.380 -15.043 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.154 2.084 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.074 3.688 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.384 3.679 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.994 4.631 -15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.072 3.077 -16.226 1.00 0.00 H new ATOM 108 N LYS A 7 -6.958 5.119 -10.419 1.00 0.00 N ATOM 109 CA LYS A 7 -5.735 5.898 -10.526 1.00 0.00 C ATOM 110 C LYS A 7 -4.728 5.496 -9.450 1.00 0.00 C ATOM 111 O LYS A 7 -3.531 5.419 -9.720 1.00 0.00 O ATOM 112 CB LYS A 7 -6.084 7.382 -10.422 1.00 0.00 C ATOM 113 CG LYS A 7 -5.065 8.316 -11.055 1.00 0.00 C ATOM 114 CD LYS A 7 -3.968 8.719 -10.080 1.00 0.00 C ATOM 115 CE LYS A 7 -4.515 9.576 -8.948 1.00 0.00 C ATOM 116 NZ LYS A 7 -3.455 9.963 -7.979 1.00 0.00 N ATOM 0 H LYS A 7 -7.790 5.678 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.267 5.702 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.052 7.548 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.193 7.644 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.617 7.829 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.571 9.210 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.500 7.825 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.191 9.269 -10.612 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.973 10.474 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.301 9.029 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.848 10.628 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.105 9.115 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.670 10.418 -8.487 1.00 0.00 H new ATOM 130 N GLN A 8 -5.215 5.222 -8.238 1.00 0.00 N ATOM 131 CA GLN A 8 -4.350 4.783 -7.141 1.00 0.00 C ATOM 132 C GLN A 8 -3.734 3.429 -7.473 1.00 0.00 C ATOM 133 O GLN A 8 -2.554 3.191 -7.215 1.00 0.00 O ATOM 134 CB GLN A 8 -5.147 4.668 -5.835 1.00 0.00 C ATOM 135 CG GLN A 8 -5.982 5.893 -5.493 1.00 0.00 C ATOM 136 CD GLN A 8 -5.182 7.174 -5.429 1.00 0.00 C ATOM 137 OE1 GLN A 8 -5.046 7.885 -6.422 1.00 0.00 O ATOM 138 NE2 GLN A 8 -4.664 7.486 -4.257 1.00 0.00 N ATOM 0 H GLN A 8 -6.202 5.296 -7.992 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.561 5.524 -7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.806 3.802 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.453 4.478 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.770 6.004 -6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.471 5.732 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.801 6.867 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.126 8.346 -4.150 1.00 0.00 H new ATOM 147 N MET A 9 -4.544 2.546 -8.049 1.00 0.00 N ATOM 148 CA MET A 9 -4.066 1.237 -8.470 1.00 0.00 C ATOM 149 C MET A 9 -3.016 1.400 -9.560 1.00 0.00 C ATOM 150 O MET A 9 -1.942 0.813 -9.488 1.00 0.00 O ATOM 151 CB MET A 9 -5.227 0.377 -8.978 1.00 0.00 C ATOM 152 CG MET A 9 -4.806 -1.025 -9.397 1.00 0.00 C ATOM 153 SD MET A 9 -4.044 -1.949 -8.049 1.00 0.00 S ATOM 154 CE MET A 9 -5.401 -2.019 -6.882 1.00 0.00 C ATOM 0 H MET A 9 -5.533 2.714 -8.234 1.00 0.00 H new ATOM 0 HA MET A 9 -3.618 0.734 -7.613 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.983 0.302 -8.196 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.694 0.876 -9.827 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.678 -1.570 -9.759 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.105 -0.957 -10.229 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.240 -2.842 -6.186 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.454 -1.081 -6.329 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.336 -2.177 -7.420 1.00 0.00 H new ATOM 164 N GLU A 10 -3.328 2.230 -10.549 1.00 0.00 N ATOM 165 CA GLU A 10 -2.417 2.544 -11.630 1.00 0.00 C ATOM 166 C GLU A 10 -1.098 3.100 -11.092 1.00 0.00 C ATOM 167 O GLU A 10 -0.027 2.791 -11.608 1.00 0.00 O ATOM 168 CB GLU A 10 -3.091 3.565 -12.543 1.00 0.00 C ATOM 169 CG GLU A 10 -4.277 3.013 -13.316 1.00 0.00 C ATOM 170 CD GLU A 10 -3.869 2.093 -14.448 1.00 0.00 C ATOM 171 OE1 GLU A 10 -3.627 2.598 -15.566 1.00 0.00 O ATOM 172 OE2 GLU A 10 -3.801 0.867 -14.239 1.00 0.00 O ATOM 0 H GLU A 10 -4.228 2.704 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.185 1.636 -12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.424 4.411 -11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.355 3.947 -13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.929 2.471 -12.631 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.858 3.842 -13.720 1.00 0.00 H new ATOM 179 N GLU A 11 -1.191 3.912 -10.046 1.00 0.00 N ATOM 180 CA GLU A 11 -0.024 4.498 -9.407 1.00 0.00 C ATOM 181 C GLU A 11 0.851 3.431 -8.752 1.00 0.00 C ATOM 182 O GLU A 11 2.076 3.442 -8.901 1.00 0.00 O ATOM 183 CB GLU A 11 -0.482 5.532 -8.379 1.00 0.00 C ATOM 184 CG GLU A 11 -0.712 6.909 -8.975 1.00 0.00 C ATOM 185 CD GLU A 11 -0.874 7.984 -7.925 1.00 0.00 C ATOM 186 OE1 GLU A 11 -1.912 7.998 -7.236 1.00 0.00 O ATOM 187 OE2 GLU A 11 0.028 8.841 -7.809 1.00 0.00 O ATOM 0 H GLU A 11 -2.077 4.181 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 11 0.585 4.987 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.405 5.187 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.266 5.606 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.127 7.164 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.603 6.884 -9.603 1.00 0.00 H new ATOM 194 N MET A 12 0.225 2.506 -8.040 1.00 0.00 N ATOM 195 CA MET A 12 0.953 1.409 -7.417 1.00 0.00 C ATOM 196 C MET A 12 1.514 0.475 -8.485 1.00 0.00 C ATOM 197 O MET A 12 2.651 0.014 -8.384 1.00 0.00 O ATOM 198 CB MET A 12 0.047 0.636 -6.452 1.00 0.00 C ATOM 199 CG MET A 12 -0.372 1.443 -5.231 1.00 0.00 C ATOM 200 SD MET A 12 -1.364 0.491 -4.063 1.00 0.00 S ATOM 201 CE MET A 12 -2.786 0.079 -5.070 1.00 0.00 C ATOM 0 H MET A 12 -0.782 2.492 -7.879 1.00 0.00 H new ATOM 0 HA MET A 12 1.782 1.826 -6.846 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.846 0.311 -6.986 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.566 -0.264 -6.122 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.519 1.814 -4.724 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.940 2.315 -5.556 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.536 -0.418 -4.455 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.209 0.990 -5.493 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.480 -0.587 -5.877 1.00 0.00 H new ATOM 211 N LEU A 13 0.714 0.231 -9.517 1.00 0.00 N ATOM 212 CA LEU A 13 1.123 -0.607 -10.637 1.00 0.00 C ATOM 213 C LEU A 13 2.331 -0.016 -11.356 1.00 0.00 C ATOM 214 O LEU A 13 3.268 -0.737 -11.699 1.00 0.00 O ATOM 215 CB LEU A 13 -0.036 -0.778 -11.622 1.00 0.00 C ATOM 216 CG LEU A 13 -1.209 -1.613 -11.107 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.267 -1.759 -12.186 1.00 0.00 C ATOM 218 CD2 LEU A 13 -0.730 -2.978 -10.632 1.00 0.00 C ATOM 0 H LEU A 13 -0.231 0.606 -9.600 1.00 0.00 H new ATOM 0 HA LEU A 13 1.405 -1.582 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.407 0.209 -11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.347 -1.240 -12.532 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.654 -1.097 -10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.096 -2.356 -11.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.632 -0.773 -12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.834 -2.253 -13.056 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.580 -3.556 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.258 -3.507 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.008 -2.850 -9.825 1.00 0.00 H new ATOM 230 N ALA A 14 2.304 1.295 -11.573 1.00 0.00 N ATOM 231 CA ALA A 14 3.401 1.989 -12.239 1.00 0.00 C ATOM 232 C ALA A 14 4.707 1.807 -11.476 1.00 0.00 C ATOM 233 O ALA A 14 5.739 1.496 -12.068 1.00 0.00 O ATOM 234 CB ALA A 14 3.078 3.468 -12.391 1.00 0.00 C ATOM 0 H ALA A 14 1.531 1.900 -11.296 1.00 0.00 H new ATOM 0 HA ALA A 14 3.525 1.553 -13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.906 3.972 -12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.172 3.583 -12.986 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.924 3.910 -11.407 1.00 0.00 H new ATOM 240 N HIS A 15 4.652 1.980 -10.158 1.00 0.00 N ATOM 241 CA HIS A 15 5.837 1.809 -9.323 1.00 0.00 C ATOM 242 C HIS A 15 6.295 0.354 -9.340 1.00 0.00 C ATOM 243 O HIS A 15 7.487 0.072 -9.416 1.00 0.00 O ATOM 244 CB HIS A 15 5.557 2.249 -7.883 1.00 0.00 C ATOM 245 CG HIS A 15 6.789 2.322 -7.020 1.00 0.00 C ATOM 246 ND1 HIS A 15 7.218 1.520 -6.017 1.00 0.00 N flip ATOM 247 CD2 HIS A 15 7.736 3.317 -7.140 1.00 0.00 C flip ATOM 248 CE1 HIS A 15 8.405 2.039 -5.555 1.00 0.00 C flip ATOM 249 NE2 HIS A 15 8.693 3.122 -6.253 1.00 0.00 N flip ATOM 0 H HIS A 15 3.806 2.236 -9.648 1.00 0.00 H new ATOM 0 HA HIS A 15 6.630 2.436 -9.731 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.077 3.228 -7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.849 1.554 -7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.700 4.130 -7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.002 1.629 -4.754 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.517 3.710 -6.128 1.00 0.00 H new ATOM 258 N ALA A 16 5.336 -0.560 -9.274 1.00 0.00 N ATOM 259 CA ALA A 16 5.630 -1.988 -9.247 1.00 0.00 C ATOM 260 C ALA A 16 6.295 -2.449 -10.542 1.00 0.00 C ATOM 261 O ALA A 16 7.361 -3.063 -10.516 1.00 0.00 O ATOM 262 CB ALA A 16 4.359 -2.783 -8.994 1.00 0.00 C ATOM 0 H ALA A 16 4.341 -0.336 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 16 6.331 -2.168 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.593 -3.847 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.931 -2.490 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.640 -2.583 -9.789 1.00 0.00 H new ATOM 268 N ARG A 17 5.676 -2.125 -11.671 1.00 0.00 N ATOM 269 CA ARG A 17 6.167 -2.565 -12.974 1.00 0.00 C ATOM 270 C ARG A 17 7.540 -1.957 -13.274 1.00 0.00 C ATOM 271 O ARG A 17 8.382 -2.582 -13.917 1.00 0.00 O ATOM 272 CB ARG A 17 5.156 -2.202 -14.069 1.00 0.00 C ATOM 273 CG ARG A 17 5.119 -0.723 -14.392 1.00 0.00 C ATOM 274 CD ARG A 17 3.858 -0.324 -15.146 1.00 0.00 C ATOM 275 NE ARG A 17 3.650 -1.106 -16.364 1.00 0.00 N ATOM 276 CZ ARG A 17 3.692 -0.600 -17.595 1.00 0.00 C ATOM 277 NH1 ARG A 17 4.025 0.670 -17.786 1.00 0.00 N ATOM 278 NH2 ARG A 17 3.400 -1.374 -18.633 1.00 0.00 N ATOM 0 H ARG A 17 4.830 -1.557 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 17 6.281 -3.649 -12.954 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.399 -2.757 -14.975 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.162 -2.522 -13.755 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.182 -0.150 -13.467 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.993 -0.462 -14.988 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.995 -0.446 -14.491 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.915 0.733 -15.405 1.00 0.00 H new ATOM 0 HE ARG A 17 3.461 -2.103 -16.264 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.250 1.264 -16.988 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.056 1.053 -18.731 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.145 -2.351 -18.485 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.430 -0.992 -19.578 1.00 0.00 H new ATOM 292 N GLN A 18 7.757 -0.737 -12.798 1.00 0.00 N ATOM 293 CA GLN A 18 9.015 -0.042 -13.004 1.00 0.00 C ATOM 294 C GLN A 18 10.121 -0.631 -12.128 1.00 0.00 C ATOM 295 O GLN A 18 11.289 -0.646 -12.509 1.00 0.00 O ATOM 296 CB GLN A 18 8.832 1.442 -12.704 1.00 0.00 C ATOM 297 CG GLN A 18 10.021 2.299 -13.088 1.00 0.00 C ATOM 298 CD GLN A 18 9.711 3.780 -13.037 1.00 0.00 C ATOM 299 OE1 GLN A 18 9.869 4.425 -12.002 1.00 0.00 O ATOM 300 NE2 GLN A 18 9.264 4.334 -14.156 1.00 0.00 N ATOM 0 H GLN A 18 7.069 -0.207 -12.262 1.00 0.00 H new ATOM 0 HA GLN A 18 9.315 -0.167 -14.044 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.950 1.803 -13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.637 1.566 -11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.852 2.082 -12.417 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.346 2.034 -14.094 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.146 3.766 -14.995 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.038 5.328 -14.178 1.00 0.00 H new ATOM 309 N ALA A 19 9.741 -1.115 -10.957 1.00 0.00 N ATOM 310 CA ALA A 19 10.705 -1.657 -10.000 1.00 0.00 C ATOM 311 C ALA A 19 11.187 -3.052 -10.395 1.00 0.00 C ATOM 312 O ALA A 19 12.249 -3.492 -9.952 1.00 0.00 O ATOM 313 CB ALA A 19 10.109 -1.681 -8.602 1.00 0.00 C ATOM 0 H ALA A 19 8.772 -1.146 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 19 11.573 -0.998 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.839 -2.087 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.844 -0.667 -8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.216 -2.306 -8.598 1.00 0.00 H new ATOM 319 N LEU A 20 10.406 -3.737 -11.224 1.00 0.00 N ATOM 320 CA LEU A 20 10.747 -5.081 -11.682 1.00 0.00 C ATOM 321 C LEU A 20 12.148 -5.115 -12.298 1.00 0.00 C ATOM 322 O LEU A 20 12.591 -4.139 -12.904 1.00 0.00 O ATOM 323 CB LEU A 20 9.710 -5.567 -12.694 1.00 0.00 C ATOM 324 CG LEU A 20 8.294 -5.743 -12.139 1.00 0.00 C ATOM 325 CD1 LEU A 20 7.348 -6.223 -13.230 1.00 0.00 C ATOM 326 CD2 LEU A 20 8.298 -6.717 -10.971 1.00 0.00 C ATOM 0 H LEU A 20 9.525 -3.381 -11.595 1.00 0.00 H new ATOM 0 HA LEU A 20 10.743 -5.747 -10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.674 -4.859 -13.522 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.044 -6.520 -13.104 1.00 0.00 H new ATOM 0 HG LEU A 20 7.942 -4.776 -11.781 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.347 -6.342 -12.817 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.322 -5.491 -14.037 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.696 -7.180 -13.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.284 -6.831 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.670 -7.685 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.943 -6.334 -10.180 1.00 0.00 H new ATOM 338 N PRO A 21 12.868 -6.243 -12.160 1.00 0.00 N ATOM 339 CA PRO A 21 12.358 -7.471 -11.553 1.00 0.00 C ATOM 340 C PRO A 21 12.557 -7.528 -10.039 1.00 0.00 C ATOM 341 O PRO A 21 12.606 -8.612 -9.453 1.00 0.00 O ATOM 342 CB PRO A 21 13.187 -8.568 -12.236 1.00 0.00 C ATOM 343 CG PRO A 21 14.324 -7.876 -12.936 1.00 0.00 C ATOM 344 CD PRO A 21 14.254 -6.413 -12.585 1.00 0.00 C ATOM 0 HA PRO A 21 11.281 -7.564 -11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.561 -9.283 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.578 -9.128 -12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.279 -8.299 -12.625 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.250 -8.015 -14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.954 -6.155 -11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.494 -5.781 -13.440 1.00 0.00 H new ATOM 352 N ASN A 22 12.670 -6.366 -9.414 1.00 0.00 N ATOM 353 CA ASN A 22 12.784 -6.288 -7.963 1.00 0.00 C ATOM 354 C ASN A 22 11.390 -6.219 -7.357 1.00 0.00 C ATOM 355 O ASN A 22 10.398 -6.470 -8.045 1.00 0.00 O ATOM 356 CB ASN A 22 13.598 -5.055 -7.548 1.00 0.00 C ATOM 357 CG ASN A 22 14.962 -5.004 -8.208 1.00 0.00 C ATOM 358 OD1 ASN A 22 15.937 -5.555 -7.697 1.00 0.00 O ATOM 359 ND2 ASN A 22 15.041 -4.327 -9.346 1.00 0.00 N ATOM 0 H ASN A 22 12.685 -5.463 -9.888 1.00 0.00 H new ATOM 0 HA ASN A 22 13.302 -7.175 -7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.041 -4.154 -7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.723 -5.055 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.935 -4.248 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.208 -3.885 -9.735 1.00 0.00 H new ATOM 366 N GLU A 23 11.304 -5.891 -6.077 1.00 0.00 N ATOM 367 CA GLU A 23 10.016 -5.703 -5.443 1.00 0.00 C ATOM 368 C GLU A 23 9.707 -4.213 -5.392 1.00 0.00 C ATOM 369 O GLU A 23 10.585 -3.384 -5.638 1.00 0.00 O ATOM 370 CB GLU A 23 9.992 -6.354 -4.044 1.00 0.00 C ATOM 371 CG GLU A 23 10.668 -5.558 -2.936 1.00 0.00 C ATOM 372 CD GLU A 23 9.735 -4.539 -2.301 1.00 0.00 C ATOM 373 OE1 GLU A 23 8.628 -4.932 -1.863 1.00 0.00 O ATOM 374 OE2 GLU A 23 10.093 -3.344 -2.269 1.00 0.00 O ATOM 0 H GLU A 23 12.107 -5.751 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 23 9.238 -6.198 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.954 -6.527 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.471 -7.331 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.029 -6.243 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.540 -5.045 -3.341 1.00 0.00 H new ATOM 381 N ALA A 24 8.467 -3.872 -5.101 1.00 0.00 N ATOM 382 CA ALA A 24 8.065 -2.478 -5.051 1.00 0.00 C ATOM 383 C ALA A 24 7.268 -2.184 -3.790 1.00 0.00 C ATOM 384 O ALA A 24 6.149 -2.675 -3.618 1.00 0.00 O ATOM 385 CB ALA A 24 7.258 -2.117 -6.284 1.00 0.00 C ATOM 0 H ALA A 24 7.722 -4.538 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 24 8.967 -1.866 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.964 -1.069 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.863 -2.280 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.366 -2.742 -6.331 1.00 0.00 H new ATOM 391 N CYS A 25 7.846 -1.376 -2.921 1.00 0.00 N ATOM 392 CA CYS A 25 7.199 -1.001 -1.678 1.00 0.00 C ATOM 393 C CYS A 25 6.911 0.495 -1.639 1.00 0.00 C ATOM 394 O CYS A 25 7.364 1.261 -2.499 1.00 0.00 O ATOM 395 CB CYS A 25 8.064 -1.412 -0.484 1.00 0.00 C ATOM 396 SG CYS A 25 9.790 -0.891 -0.609 1.00 0.00 S ATOM 0 H CYS A 25 8.769 -0.964 -3.055 1.00 0.00 H new ATOM 0 HA CYS A 25 6.247 -1.528 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.634 -0.991 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.030 -2.497 -0.380 1.00 0.00 H new ATOM 0 HG CYS A 25 10.496 -1.851 -1.129 1.00 0.00 H new ATOM 402 N GLY A 26 6.119 0.892 -0.660 1.00 0.00 N ATOM 403 CA GLY A 26 5.763 2.279 -0.486 1.00 0.00 C ATOM 404 C GLY A 26 4.803 2.439 0.667 1.00 0.00 C ATOM 405 O GLY A 26 4.640 1.513 1.461 1.00 0.00 O ATOM 0 H GLY A 26 5.709 0.263 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.660 2.871 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.309 2.661 -1.400 1.00 0.00 H new ATOM 409 N LEU A 27 4.140 3.578 0.746 1.00 0.00 N ATOM 410 CA LEU A 27 3.209 3.832 1.832 1.00 0.00 C ATOM 411 C LEU A 27 1.827 4.157 1.287 1.00 0.00 C ATOM 412 O LEU A 27 1.687 4.662 0.167 1.00 0.00 O ATOM 413 CB LEU A 27 3.708 4.989 2.705 1.00 0.00 C ATOM 414 CG LEU A 27 5.030 4.735 3.430 1.00 0.00 C ATOM 415 CD1 LEU A 27 5.472 5.983 4.168 1.00 0.00 C ATOM 416 CD2 LEU A 27 4.898 3.567 4.398 1.00 0.00 C ATOM 0 H LEU A 27 4.228 4.340 0.074 1.00 0.00 H new ATOM 0 HA LEU A 27 3.144 2.931 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.820 5.874 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.943 5.219 3.447 1.00 0.00 H new ATOM 0 HG LEU A 27 5.786 4.480 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.414 5.788 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.607 6.798 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.713 6.261 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.850 3.404 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.129 3.792 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.620 2.668 3.848 1.00 0.00 H new ATOM 428 N LEU A 28 0.811 3.868 2.085 1.00 0.00 N ATOM 429 CA LEU A 28 -0.567 4.124 1.703 1.00 0.00 C ATOM 430 C LEU A 28 -1.181 5.156 2.633 1.00 0.00 C ATOM 431 O LEU A 28 -1.128 5.011 3.856 1.00 0.00 O ATOM 432 CB LEU A 28 -1.382 2.830 1.753 1.00 0.00 C ATOM 433 CG LEU A 28 -0.920 1.733 0.796 1.00 0.00 C ATOM 434 CD1 LEU A 28 -1.703 0.459 1.042 1.00 0.00 C ATOM 435 CD2 LEU A 28 -1.079 2.185 -0.648 1.00 0.00 C ATOM 0 H LEU A 28 0.918 3.452 3.010 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.580 4.509 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.351 2.439 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.423 3.067 1.534 1.00 0.00 H new ATOM 0 HG LEU A 28 0.136 1.533 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.364 -0.315 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.544 0.127 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.765 0.648 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.745 1.391 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.127 2.409 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.479 3.079 -0.818 1.00 0.00 H new ATOM 447 N GLY A 29 -1.765 6.191 2.054 1.00 0.00 N ATOM 448 CA GLY A 29 -2.360 7.238 2.849 1.00 0.00 C ATOM 449 C GLY A 29 -3.820 7.432 2.523 1.00 0.00 C ATOM 450 O GLY A 29 -4.231 7.316 1.368 1.00 0.00 O ATOM 0 H GLY A 29 -1.837 6.324 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.253 6.996 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.823 8.172 2.680 1.00 0.00 H new ATOM 454 N GLY A 30 -4.606 7.714 3.536 1.00 0.00 N ATOM 455 CA GLY A 30 -6.015 7.932 3.326 1.00 0.00 C ATOM 456 C GLY A 30 -6.756 8.043 4.627 1.00 0.00 C ATOM 457 O GLY A 30 -6.160 8.347 5.661 1.00 0.00 O ATOM 0 H GLY A 30 -4.296 7.797 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.160 8.843 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.428 7.111 2.740 1.00 0.00 H new ATOM 461 N ARG A 31 -8.051 7.797 4.589 1.00 0.00 N ATOM 462 CA ARG A 31 -8.867 7.890 5.780 1.00 0.00 C ATOM 463 C ARG A 31 -9.447 6.544 6.155 1.00 0.00 C ATOM 464 O ARG A 31 -9.937 5.801 5.304 1.00 0.00 O ATOM 465 CB ARG A 31 -10.009 8.891 5.595 1.00 0.00 C ATOM 466 CG ARG A 31 -9.566 10.340 5.628 1.00 0.00 C ATOM 467 CD ARG A 31 -10.753 11.283 5.523 1.00 0.00 C ATOM 468 NE ARG A 31 -11.717 11.089 6.609 1.00 0.00 N ATOM 469 CZ ARG A 31 -12.092 12.054 7.453 1.00 0.00 C ATOM 470 NH1 ARG A 31 -11.540 13.258 7.371 1.00 0.00 N ATOM 471 NH2 ARG A 31 -13.003 11.812 8.392 1.00 0.00 N ATOM 0 H ARG A 31 -8.559 7.531 3.745 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.215 8.235 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.502 8.693 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.751 8.730 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.024 10.536 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.874 10.530 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.398 12.313 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.252 11.130 4.566 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.126 10.162 6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.830 13.446 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.826 13.995 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.420 10.885 8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.284 12.554 9.033 1.00 0.00 H new ATOM 485 N ARG A 32 -9.369 6.234 7.431 1.00 0.00 N ATOM 486 CA ARG A 32 -10.145 5.156 7.993 1.00 0.00 C ATOM 487 C ARG A 32 -11.163 5.787 8.922 1.00 0.00 C ATOM 488 O ARG A 32 -10.809 6.524 9.845 1.00 0.00 O ATOM 489 CB ARG A 32 -9.249 4.143 8.725 1.00 0.00 C ATOM 490 CG ARG A 32 -8.473 4.716 9.904 1.00 0.00 C ATOM 491 CD ARG A 32 -7.489 3.703 10.468 1.00 0.00 C ATOM 492 NE ARG A 32 -6.945 4.127 11.758 1.00 0.00 N ATOM 493 CZ ARG A 32 -5.645 4.253 12.023 1.00 0.00 C ATOM 494 NH1 ARG A 32 -4.742 4.070 11.065 1.00 0.00 N ATOM 495 NH2 ARG A 32 -5.247 4.572 13.248 1.00 0.00 N ATOM 0 H ARG A 32 -8.771 6.718 8.101 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.648 4.590 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.869 3.320 9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.541 3.722 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.935 5.610 9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.169 5.023 10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.986 2.740 10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.673 3.558 9.760 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.605 4.341 12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.042 3.832 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.749 4.168 11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.936 4.720 13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.252 4.669 13.452 1.00 0.00 H new ATOM 509 N ASP A 33 -12.426 5.547 8.655 1.00 0.00 N ATOM 510 CA ASP A 33 -13.473 6.296 9.333 1.00 0.00 C ATOM 511 C ASP A 33 -14.445 5.353 10.006 1.00 0.00 C ATOM 512 O ASP A 33 -15.661 5.465 9.846 1.00 0.00 O ATOM 513 CB ASP A 33 -14.198 7.197 8.333 1.00 0.00 C ATOM 514 CG ASP A 33 -14.798 8.424 8.988 1.00 0.00 C ATOM 515 OD1 ASP A 33 -14.054 9.414 9.178 1.00 0.00 O ATOM 516 OD2 ASP A 33 -16.003 8.412 9.313 1.00 0.00 O ATOM 0 H ASP A 33 -12.756 4.852 7.985 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.020 6.922 10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.499 7.508 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.988 6.628 7.842 1.00 0.00 H new ATOM 521 N GLY A 34 -13.893 4.425 10.772 1.00 0.00 N ATOM 522 CA GLY A 34 -14.704 3.426 11.420 1.00 0.00 C ATOM 523 C GLY A 34 -15.232 2.420 10.428 1.00 0.00 C ATOM 524 O GLY A 34 -16.233 2.674 9.756 1.00 0.00 O ATOM 0 H GLY A 34 -12.892 4.349 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.115 2.914 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.538 3.907 11.932 1.00 0.00 H new ATOM 528 N ASP A 35 -14.525 1.299 10.323 1.00 0.00 N ATOM 529 CA ASP A 35 -14.898 0.182 9.448 1.00 0.00 C ATOM 530 C ASP A 35 -14.573 0.471 7.980 1.00 0.00 C ATOM 531 O ASP A 35 -14.085 -0.406 7.266 1.00 0.00 O ATOM 532 CB ASP A 35 -16.383 -0.150 9.615 1.00 0.00 C ATOM 533 CG ASP A 35 -16.754 -1.508 9.068 1.00 0.00 C ATOM 534 OD1 ASP A 35 -16.566 -2.507 9.795 1.00 0.00 O ATOM 535 OD2 ASP A 35 -17.260 -1.587 7.932 1.00 0.00 O ATOM 0 H ASP A 35 -13.666 1.134 10.848 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.305 -0.682 9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.641 -0.109 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.978 0.612 9.112 1.00 0.00 H new ATOM 540 N ASP A 36 -14.824 1.696 7.533 1.00 0.00 N ATOM 541 CA ASP A 36 -14.516 2.067 6.153 1.00 0.00 C ATOM 542 C ASP A 36 -13.100 2.595 6.037 1.00 0.00 C ATOM 543 O ASP A 36 -12.606 3.338 6.890 1.00 0.00 O ATOM 544 CB ASP A 36 -15.463 3.118 5.592 1.00 0.00 C ATOM 545 CG ASP A 36 -16.915 2.685 5.544 1.00 0.00 C ATOM 546 OD1 ASP A 36 -17.525 2.494 6.616 1.00 0.00 O ATOM 547 OD2 ASP A 36 -17.466 2.562 4.424 1.00 0.00 O ATOM 0 H ASP A 36 -15.234 2.442 8.095 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.634 1.152 5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.385 4.021 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.140 3.381 4.584 1.00 0.00 H new ATOM 552 N ARG A 37 -12.477 2.191 4.962 1.00 0.00 N ATOM 553 CA ARG A 37 -11.093 2.505 4.665 1.00 0.00 C ATOM 554 C ARG A 37 -10.955 2.997 3.224 1.00 0.00 C ATOM 555 O ARG A 37 -11.253 2.255 2.287 1.00 0.00 O ATOM 556 CB ARG A 37 -10.248 1.251 4.885 1.00 0.00 C ATOM 557 CG ARG A 37 -8.775 1.426 4.583 1.00 0.00 C ATOM 558 CD ARG A 37 -8.027 0.120 4.796 1.00 0.00 C ATOM 559 NE ARG A 37 -6.603 0.219 4.475 1.00 0.00 N ATOM 560 CZ ARG A 37 -5.894 -0.786 3.957 1.00 0.00 C ATOM 561 NH1 ARG A 37 -6.497 -1.931 3.646 1.00 0.00 N ATOM 562 NH2 ARG A 37 -4.588 -0.646 3.752 1.00 0.00 N ATOM 0 H ARG A 37 -12.925 1.619 4.246 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.747 3.300 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.358 0.931 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.641 0.449 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.646 1.761 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.356 2.200 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.139 -0.192 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.480 -0.657 4.180 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.127 1.103 4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.499 -2.039 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.957 -2.701 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.125 0.231 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.049 -1.416 3.356 1.00 0.00 H new ATOM 576 N TRP A 38 -10.508 4.229 3.044 1.00 0.00 N ATOM 577 CA TRP A 38 -10.327 4.771 1.703 1.00 0.00 C ATOM 578 C TRP A 38 -8.876 5.165 1.467 1.00 0.00 C ATOM 579 O TRP A 38 -8.307 5.952 2.227 1.00 0.00 O ATOM 580 CB TRP A 38 -11.224 5.991 1.481 1.00 0.00 C ATOM 581 CG TRP A 38 -12.682 5.727 1.692 1.00 0.00 C ATOM 582 CD1 TRP A 38 -13.540 5.092 0.839 1.00 0.00 C ATOM 583 CD2 TRP A 38 -13.459 6.111 2.828 1.00 0.00 C ATOM 584 NE1 TRP A 38 -14.802 5.058 1.382 1.00 0.00 N ATOM 585 CE2 TRP A 38 -14.778 5.678 2.601 1.00 0.00 C ATOM 586 CE3 TRP A 38 -13.165 6.774 4.020 1.00 0.00 C ATOM 587 CZ2 TRP A 38 -15.802 5.896 3.520 1.00 0.00 C ATOM 588 CZ3 TRP A 38 -14.180 6.990 4.928 1.00 0.00 C ATOM 589 CH2 TRP A 38 -15.485 6.553 4.675 1.00 0.00 C ATOM 0 H TRP A 38 -10.265 4.869 3.800 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.605 3.990 0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -10.909 6.787 2.156 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.076 6.357 0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -13.267 4.678 -0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -15.623 4.638 0.947 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -12.160 7.112 4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -16.809 5.558 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -13.964 7.506 5.852 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -16.257 6.739 5.407 1.00 0.00 H new ATOM 600 N VAL A 39 -8.279 4.615 0.418 1.00 0.00 N ATOM 601 CA VAL A 39 -6.929 4.995 0.025 1.00 0.00 C ATOM 602 C VAL A 39 -7.002 6.191 -0.917 1.00 0.00 C ATOM 603 O VAL A 39 -7.239 6.039 -2.118 1.00 0.00 O ATOM 604 CB VAL A 39 -6.174 3.839 -0.667 1.00 0.00 C ATOM 605 CG1 VAL A 39 -4.729 4.231 -0.950 1.00 0.00 C ATOM 606 CG2 VAL A 39 -6.231 2.577 0.182 1.00 0.00 C ATOM 0 H VAL A 39 -8.708 3.905 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.377 5.250 0.930 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.664 3.634 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.216 3.402 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.710 5.104 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.226 4.468 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.693 1.774 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.770 2.769 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.270 2.283 0.327 1.00 0.00 H new ATOM 616 N GLU A 40 -6.821 7.380 -0.365 1.00 0.00 N ATOM 617 CA GLU A 40 -7.042 8.604 -1.121 1.00 0.00 C ATOM 618 C GLU A 40 -5.730 9.203 -1.626 1.00 0.00 C ATOM 619 O GLU A 40 -5.732 10.120 -2.447 1.00 0.00 O ATOM 620 CB GLU A 40 -7.815 9.604 -0.259 1.00 0.00 C ATOM 621 CG GLU A 40 -9.100 9.018 0.317 1.00 0.00 C ATOM 622 CD GLU A 40 -9.973 10.047 1.005 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.651 10.452 2.142 1.00 0.00 O ATOM 624 OE2 GLU A 40 -10.994 10.456 0.416 1.00 0.00 O ATOM 0 H GLU A 40 -6.523 7.524 0.600 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.635 8.364 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.177 9.942 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.058 10.482 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.668 8.548 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.846 8.233 1.029 1.00 0.00 H new ATOM 631 N ARG A 41 -4.608 8.680 -1.143 1.00 0.00 N ATOM 632 CA ARG A 41 -3.300 9.096 -1.644 1.00 0.00 C ATOM 633 C ARG A 41 -2.300 7.948 -1.542 1.00 0.00 C ATOM 634 O ARG A 41 -2.395 7.096 -0.660 1.00 0.00 O ATOM 635 CB ARG A 41 -2.787 10.332 -0.898 1.00 0.00 C ATOM 636 CG ARG A 41 -2.424 10.076 0.553 1.00 0.00 C ATOM 637 CD ARG A 41 -2.149 11.375 1.296 1.00 0.00 C ATOM 638 NE ARG A 41 -1.041 12.126 0.706 1.00 0.00 N ATOM 639 CZ ARG A 41 -0.674 13.354 1.082 1.00 0.00 C ATOM 640 NH1 ARG A 41 -1.359 14.015 2.010 1.00 0.00 N ATOM 641 NH2 ARG A 41 0.369 13.928 0.511 1.00 0.00 N ATOM 0 H ARG A 41 -4.576 7.972 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.411 9.366 -2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.910 10.718 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.550 11.110 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.237 9.540 1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.544 9.435 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.048 11.992 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.921 11.154 2.339 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.512 11.681 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.176 13.585 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.068 14.952 2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.890 13.434 -0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.654 14.866 0.794 1.00 0.00 H new ATOM 655 N VAL A 42 -1.350 7.932 -2.460 1.00 0.00 N ATOM 656 CA VAL A 42 -0.366 6.859 -2.534 1.00 0.00 C ATOM 657 C VAL A 42 1.046 7.431 -2.532 1.00 0.00 C ATOM 658 O VAL A 42 1.319 8.433 -3.192 1.00 0.00 O ATOM 659 CB VAL A 42 -0.566 5.984 -3.802 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.462 4.867 -3.867 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.969 5.407 -3.841 1.00 0.00 C ATOM 0 H VAL A 42 -1.236 8.654 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.507 6.229 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.427 6.626 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.296 4.272 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.464 5.296 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.364 4.231 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.087 4.798 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.133 4.789 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.696 6.219 -3.856 1.00 0.00 H new ATOM 671 N TYR A 43 1.934 6.806 -1.773 1.00 0.00 N ATOM 672 CA TYR A 43 3.323 7.230 -1.720 1.00 0.00 C ATOM 673 C TYR A 43 4.265 6.114 -2.151 1.00 0.00 C ATOM 674 O TYR A 43 4.718 5.321 -1.324 1.00 0.00 O ATOM 675 CB TYR A 43 3.699 7.725 -0.320 1.00 0.00 C ATOM 676 CG TYR A 43 3.558 9.218 -0.147 1.00 0.00 C ATOM 677 CD1 TYR A 43 4.528 10.082 -0.645 1.00 0.00 C ATOM 678 CD2 TYR A 43 2.465 9.767 0.510 1.00 0.00 C ATOM 679 CE1 TYR A 43 4.414 11.449 -0.492 1.00 0.00 C ATOM 680 CE2 TYR A 43 2.343 11.134 0.666 1.00 0.00 C ATOM 681 CZ TYR A 43 3.320 11.971 0.162 1.00 0.00 C ATOM 682 OH TYR A 43 3.203 13.333 0.312 1.00 0.00 O ATOM 0 H TYR A 43 1.716 6.002 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 43 3.431 8.057 -2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.070 7.222 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.729 7.439 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.386 9.676 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.699 9.116 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.178 12.105 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.487 11.547 1.180 1.00 0.00 H new ATOM 0 HH TYR A 43 2.866 13.726 -0.520 1.00 0.00 H new ATOM 692 N PRO A 44 4.531 5.996 -3.461 1.00 0.00 N ATOM 693 CA PRO A 44 5.528 5.060 -3.974 1.00 0.00 C ATOM 694 C PRO A 44 6.923 5.444 -3.491 1.00 0.00 C ATOM 695 O PRO A 44 7.553 6.346 -4.042 1.00 0.00 O ATOM 696 CB PRO A 44 5.423 5.204 -5.498 1.00 0.00 C ATOM 697 CG PRO A 44 4.123 5.896 -5.743 1.00 0.00 C ATOM 698 CD PRO A 44 3.889 6.761 -4.541 1.00 0.00 C ATOM 0 HA PRO A 44 5.359 4.037 -3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.257 5.782 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.448 4.230 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.164 6.494 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.315 5.176 -5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.336 7.748 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.826 6.913 -4.353 1.00 0.00 H new ATOM 706 N LEU A 45 7.387 4.774 -2.448 1.00 0.00 N ATOM 707 CA LEU A 45 8.612 5.170 -1.779 1.00 0.00 C ATOM 708 C LEU A 45 9.831 4.517 -2.428 1.00 0.00 C ATOM 709 O LEU A 45 9.701 3.674 -3.318 1.00 0.00 O ATOM 710 CB LEU A 45 8.526 4.814 -0.290 1.00 0.00 C ATOM 711 CG LEU A 45 9.549 5.509 0.609 1.00 0.00 C ATOM 712 CD1 LEU A 45 9.376 7.017 0.543 1.00 0.00 C ATOM 713 CD2 LEU A 45 9.416 5.021 2.041 1.00 0.00 C ATOM 0 H LEU A 45 6.932 3.953 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 45 8.731 6.249 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.526 5.060 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.647 3.736 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 45 10.548 5.260 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.112 7.496 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.519 7.355 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.373 7.283 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.152 5.526 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.414 5.241 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.587 3.945 2.076 1.00 0.00 H new ATOM 725 N ASN A 46 11.007 4.924 -1.974 1.00 0.00 N ATOM 726 CA ASN A 46 12.267 4.460 -2.537 1.00 0.00 C ATOM 727 C ASN A 46 12.689 3.136 -1.918 1.00 0.00 C ATOM 728 O ASN A 46 12.496 2.901 -0.724 1.00 0.00 O ATOM 729 CB ASN A 46 13.353 5.510 -2.302 1.00 0.00 C ATOM 730 CG ASN A 46 14.706 5.108 -2.858 1.00 0.00 C ATOM 731 OD1 ASN A 46 14.802 4.457 -3.902 1.00 0.00 O ATOM 732 ND2 ASN A 46 15.763 5.483 -2.155 1.00 0.00 N ATOM 0 H ASN A 46 11.115 5.585 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 46 12.129 4.307 -3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.045 6.450 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.447 5.692 -1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.700 5.234 -2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.640 6.021 -1.297 1.00 0.00 H new ATOM 739 N ASN A 47 13.260 2.278 -2.747 1.00 0.00 N ATOM 740 CA ASN A 47 13.792 1.003 -2.304 1.00 0.00 C ATOM 741 C ASN A 47 15.241 1.165 -1.872 1.00 0.00 C ATOM 742 O ASN A 47 16.142 1.226 -2.710 1.00 0.00 O ATOM 743 CB ASN A 47 13.698 -0.028 -3.431 1.00 0.00 C ATOM 744 CG ASN A 47 12.323 -0.658 -3.539 1.00 0.00 C ATOM 745 OD1 ASN A 47 11.427 -0.121 -4.195 1.00 0.00 O ATOM 746 ND2 ASN A 47 12.158 -1.812 -2.911 1.00 0.00 N ATOM 0 H ASN A 47 13.367 2.447 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 47 13.204 0.654 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.948 0.451 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.439 -0.810 -3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.261 -2.295 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.928 -2.218 -2.380 1.00 0.00 H new ATOM 753 N LEU A 48 15.456 1.270 -0.564 1.00 0.00 N ATOM 754 CA LEU A 48 16.796 1.434 -0.015 1.00 0.00 C ATOM 755 C LEU A 48 17.667 0.226 -0.341 1.00 0.00 C ATOM 756 O LEU A 48 18.870 0.362 -0.561 1.00 0.00 O ATOM 757 CB LEU A 48 16.729 1.659 1.498 1.00 0.00 C ATOM 758 CG LEU A 48 16.375 3.085 1.940 1.00 0.00 C ATOM 759 CD1 LEU A 48 17.475 4.058 1.541 1.00 0.00 C ATOM 760 CD2 LEU A 48 15.042 3.533 1.359 1.00 0.00 C ATOM 0 H LEU A 48 14.716 1.244 0.137 1.00 0.00 H new ATOM 0 HA LEU A 48 17.250 2.312 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.992 0.974 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.694 1.392 1.930 1.00 0.00 H new ATOM 0 HG LEU A 48 16.285 3.080 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.205 5.064 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.411 3.764 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.597 4.044 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.822 4.547 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.094 3.512 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.253 2.861 1.697 1.00 0.00 H new ATOM 772 N ASP A 49 17.058 -0.953 -0.360 1.00 0.00 N ATOM 773 CA ASP A 49 17.742 -2.142 -0.841 1.00 0.00 C ATOM 774 C ASP A 49 17.239 -2.491 -2.225 1.00 0.00 C ATOM 775 O ASP A 49 16.072 -2.844 -2.406 1.00 0.00 O ATOM 776 CB ASP A 49 17.553 -3.343 0.091 1.00 0.00 C ATOM 777 CG ASP A 49 18.390 -3.252 1.352 1.00 0.00 C ATOM 778 OD1 ASP A 49 17.986 -2.547 2.294 1.00 0.00 O ATOM 779 OD2 ASP A 49 19.456 -3.904 1.413 1.00 0.00 O ATOM 0 H ASP A 49 16.099 -1.109 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 49 18.808 -1.916 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.501 -3.421 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.812 -4.256 -0.445 1.00 0.00 H new ATOM 784 N GLN A 50 18.123 -2.390 -3.200 1.00 0.00 N ATOM 785 CA GLN A 50 17.797 -2.707 -4.585 1.00 0.00 C ATOM 786 C GLN A 50 17.824 -4.221 -4.808 1.00 0.00 C ATOM 787 O GLN A 50 18.400 -4.719 -5.776 1.00 0.00 O ATOM 788 CB GLN A 50 18.777 -1.985 -5.519 1.00 0.00 C ATOM 789 CG GLN A 50 20.242 -2.220 -5.178 1.00 0.00 C ATOM 790 CD GLN A 50 21.160 -1.178 -5.785 1.00 0.00 C ATOM 791 OE1 GLN A 50 20.892 -0.640 -6.862 1.00 0.00 O ATOM 792 NE2 GLN A 50 22.234 -0.867 -5.080 1.00 0.00 N ATOM 0 H GLN A 50 19.087 -2.087 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 50 16.788 -2.362 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 50 18.596 -2.312 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.574 -0.915 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.363 -2.218 -4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.538 -3.208 -5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.416 -1.338 -4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 50 22.880 -0.156 -5.422 1.00 0.00 H new ATOM 801 N SER A 51 17.185 -4.942 -3.900 1.00 0.00 N ATOM 802 CA SER A 51 17.140 -6.391 -3.951 1.00 0.00 C ATOM 803 C SER A 51 15.844 -6.894 -3.321 1.00 0.00 C ATOM 804 O SER A 51 15.389 -6.342 -2.322 1.00 0.00 O ATOM 805 CB SER A 51 18.343 -6.968 -3.205 1.00 0.00 C ATOM 806 OG SER A 51 19.557 -6.613 -3.842 1.00 0.00 O ATOM 0 H SER A 51 16.684 -4.538 -3.109 1.00 0.00 H new ATOM 0 HA SER A 51 17.175 -6.715 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.347 -6.603 -2.178 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.258 -8.054 -3.157 1.00 0.00 H new ATOM 0 HG SER A 51 20.311 -6.993 -3.344 1.00 0.00 H new ATOM 812 N PRO A 52 15.250 -7.966 -3.873 1.00 0.00 N ATOM 813 CA PRO A 52 13.984 -8.521 -3.380 1.00 0.00 C ATOM 814 C PRO A 52 14.166 -9.366 -2.124 1.00 0.00 C ATOM 815 O PRO A 52 13.212 -9.949 -1.608 1.00 0.00 O ATOM 816 CB PRO A 52 13.491 -9.405 -4.540 1.00 0.00 C ATOM 817 CG PRO A 52 14.462 -9.197 -5.662 1.00 0.00 C ATOM 818 CD PRO A 52 15.739 -8.716 -5.033 1.00 0.00 C ATOM 0 HA PRO A 52 13.287 -7.731 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.456 -10.453 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.481 -9.125 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.625 -10.124 -6.212 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.081 -8.466 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 52 16.385 -9.543 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.315 -8.087 -5.711 1.00 0.00 H new ATOM 826 N GLU A 53 15.400 -9.443 -1.648 1.00 0.00 N ATOM 827 CA GLU A 53 15.716 -10.222 -0.458 1.00 0.00 C ATOM 828 C GLU A 53 15.642 -9.357 0.792 1.00 0.00 C ATOM 829 O GLU A 53 15.508 -9.864 1.905 1.00 0.00 O ATOM 830 CB GLU A 53 17.114 -10.824 -0.579 1.00 0.00 C ATOM 831 CG GLU A 53 17.295 -11.691 -1.814 1.00 0.00 C ATOM 832 CD GLU A 53 16.392 -12.904 -1.803 1.00 0.00 C ATOM 833 OE1 GLU A 53 16.778 -13.929 -1.199 1.00 0.00 O ATOM 834 OE2 GLU A 53 15.293 -12.842 -2.386 1.00 0.00 O ATOM 0 H GLU A 53 16.202 -8.974 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 53 14.981 -11.023 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.848 -10.018 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.322 -11.422 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.091 -11.097 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.334 -12.015 -1.878 1.00 0.00 H new ATOM 841 N HIS A 54 15.740 -8.052 0.603 1.00 0.00 N ATOM 842 CA HIS A 54 15.753 -7.120 1.720 1.00 0.00 C ATOM 843 C HIS A 54 14.590 -6.156 1.604 1.00 0.00 C ATOM 844 O HIS A 54 14.180 -5.800 0.501 1.00 0.00 O ATOM 845 CB HIS A 54 17.057 -6.316 1.762 1.00 0.00 C ATOM 846 CG HIS A 54 18.300 -7.116 2.019 1.00 0.00 C ATOM 847 ND1 HIS A 54 19.558 -6.553 2.032 1.00 0.00 N ATOM 848 CD2 HIS A 54 18.479 -8.431 2.281 1.00 0.00 C ATOM 849 CE1 HIS A 54 20.455 -7.487 2.292 1.00 0.00 C ATOM 850 NE2 HIS A 54 19.824 -8.634 2.449 1.00 0.00 N ATOM 0 H HIS A 54 15.812 -7.612 -0.315 1.00 0.00 H new ATOM 0 HA HIS A 54 15.670 -7.704 2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.172 -5.793 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 54 16.969 -5.554 2.537 1.00 0.00 H new ATOM 0 HD1 HIS A 54 19.764 -5.568 1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.705 -9.182 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.522 -7.337 2.364 1.00 0.00 H new ATOM 859 N PHE A 55 14.070 -5.733 2.739 1.00 0.00 N ATOM 860 CA PHE A 55 13.002 -4.750 2.764 1.00 0.00 C ATOM 861 C PHE A 55 13.396 -3.592 3.666 1.00 0.00 C ATOM 862 O PHE A 55 13.472 -3.742 4.887 1.00 0.00 O ATOM 863 CB PHE A 55 11.696 -5.389 3.246 1.00 0.00 C ATOM 864 CG PHE A 55 10.557 -4.418 3.389 1.00 0.00 C ATOM 865 CD1 PHE A 55 9.896 -3.936 2.270 1.00 0.00 C ATOM 866 CD2 PHE A 55 10.146 -3.986 4.643 1.00 0.00 C ATOM 867 CE1 PHE A 55 8.849 -3.043 2.399 1.00 0.00 C ATOM 868 CE2 PHE A 55 9.100 -3.095 4.776 1.00 0.00 C ATOM 869 CZ PHE A 55 8.451 -2.623 3.654 1.00 0.00 C ATOM 0 H PHE A 55 14.370 -6.055 3.659 1.00 0.00 H new ATOM 0 HA PHE A 55 12.841 -4.373 1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.406 -6.172 2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.872 -5.871 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.202 -4.262 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.651 -4.352 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.342 -2.674 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.790 -2.768 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.633 -1.926 3.756 1.00 0.00 H new ATOM 879 N SER A 56 13.675 -2.448 3.062 1.00 0.00 N ATOM 880 CA SER A 56 14.093 -1.283 3.819 1.00 0.00 C ATOM 881 C SER A 56 13.527 -0.008 3.222 1.00 0.00 C ATOM 882 O SER A 56 13.687 0.263 2.030 1.00 0.00 O ATOM 883 CB SER A 56 15.614 -1.180 3.849 1.00 0.00 C ATOM 884 OG SER A 56 16.213 -2.425 4.160 1.00 0.00 O ATOM 0 H SER A 56 13.619 -2.303 2.054 1.00 0.00 H new ATOM 0 HA SER A 56 13.712 -1.402 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.975 -0.833 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.915 -0.436 4.587 1.00 0.00 H new ATOM 0 HG SER A 56 16.724 -2.744 3.387 1.00 0.00 H new ATOM 890 N MET A 57 12.864 0.759 4.060 1.00 0.00 N ATOM 891 CA MET A 57 12.422 2.095 3.712 1.00 0.00 C ATOM 892 C MET A 57 13.068 3.058 4.690 1.00 0.00 C ATOM 893 O MET A 57 13.100 2.788 5.889 1.00 0.00 O ATOM 894 CB MET A 57 10.897 2.210 3.772 1.00 0.00 C ATOM 895 CG MET A 57 10.167 1.316 2.782 1.00 0.00 C ATOM 896 SD MET A 57 8.375 1.515 2.858 1.00 0.00 S ATOM 897 CE MET A 57 8.053 1.065 4.562 1.00 0.00 C ATOM 0 H MET A 57 12.614 0.473 5.007 1.00 0.00 H new ATOM 0 HA MET A 57 12.716 2.329 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.564 1.964 4.781 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.614 3.246 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.511 1.541 1.773 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.422 0.275 2.981 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.999 0.811 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.666 0.205 4.833 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.298 1.905 5.213 1.00 0.00 H new ATOM 907 N ASP A 58 13.615 4.154 4.192 1.00 0.00 N ATOM 908 CA ASP A 58 14.412 5.031 5.040 1.00 0.00 C ATOM 909 C ASP A 58 13.515 5.873 5.944 1.00 0.00 C ATOM 910 O ASP A 58 12.464 6.356 5.514 1.00 0.00 O ATOM 911 CB ASP A 58 15.294 5.939 4.179 1.00 0.00 C ATOM 912 CG ASP A 58 16.349 6.664 4.993 1.00 0.00 C ATOM 913 OD1 ASP A 58 16.013 7.684 5.627 1.00 0.00 O ATOM 914 OD2 ASP A 58 17.512 6.201 5.009 1.00 0.00 O ATOM 0 H ASP A 58 13.526 4.456 3.222 1.00 0.00 H new ATOM 0 HA ASP A 58 15.050 4.411 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.781 5.342 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.668 6.670 3.668 1.00 0.00 H new ATOM 919 N PRO A 59 13.938 6.077 7.205 1.00 0.00 N ATOM 920 CA PRO A 59 13.190 6.871 8.181 1.00 0.00 C ATOM 921 C PRO A 59 12.910 8.294 7.707 1.00 0.00 C ATOM 922 O PRO A 59 11.814 8.813 7.921 1.00 0.00 O ATOM 923 CB PRO A 59 14.102 6.892 9.411 1.00 0.00 C ATOM 924 CG PRO A 59 14.951 5.682 9.270 1.00 0.00 C ATOM 925 CD PRO A 59 15.162 5.505 7.794 1.00 0.00 C ATOM 0 HA PRO A 59 12.206 6.440 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.706 7.799 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.523 6.864 10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.901 5.807 9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.464 4.809 9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.055 6.026 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.283 4.455 7.528 1.00 0.00 H new ATOM 933 N ARG A 60 13.881 8.919 7.045 1.00 0.00 N ATOM 934 CA ARG A 60 13.729 10.312 6.647 1.00 0.00 C ATOM 935 C ARG A 60 12.741 10.427 5.491 1.00 0.00 C ATOM 936 O ARG A 60 11.952 11.372 5.428 1.00 0.00 O ATOM 937 CB ARG A 60 15.086 10.941 6.280 1.00 0.00 C ATOM 938 CG ARG A 60 15.647 10.498 4.935 1.00 0.00 C ATOM 939 CD ARG A 60 17.062 11.009 4.713 1.00 0.00 C ATOM 940 NE ARG A 60 18.001 10.485 5.706 1.00 0.00 N ATOM 941 CZ ARG A 60 18.944 9.582 5.437 1.00 0.00 C ATOM 942 NH1 ARG A 60 19.051 9.070 4.215 1.00 0.00 N ATOM 943 NH2 ARG A 60 19.774 9.181 6.392 1.00 0.00 N ATOM 0 H ARG A 60 14.767 8.490 6.777 1.00 0.00 H new ATOM 0 HA ARG A 60 13.332 10.867 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.979 12.026 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.808 10.695 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.642 9.409 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 60 15.001 10.860 4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 60 17.396 10.726 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.064 12.098 4.753 1.00 0.00 H new ATOM 0 HE ARG A 60 17.929 10.832 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.410 9.368 3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.774 8.379 4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.691 9.564 7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.495 8.490 6.184 1.00 0.00 H new ATOM 957 N GLU A 61 12.763 9.452 4.590 1.00 0.00 N ATOM 958 CA GLU A 61 11.852 9.452 3.456 1.00 0.00 C ATOM 959 C GLU A 61 10.430 9.128 3.904 1.00 0.00 C ATOM 960 O GLU A 61 9.466 9.702 3.396 1.00 0.00 O ATOM 961 CB GLU A 61 12.331 8.482 2.373 1.00 0.00 C ATOM 962 CG GLU A 61 13.698 8.845 1.815 1.00 0.00 C ATOM 963 CD GLU A 61 13.979 8.215 0.466 1.00 0.00 C ATOM 964 OE1 GLU A 61 13.561 8.795 -0.559 1.00 0.00 O ATOM 965 OE2 GLU A 61 14.647 7.161 0.420 1.00 0.00 O ATOM 0 H GLU A 61 13.399 8.655 4.624 1.00 0.00 H new ATOM 0 HA GLU A 61 11.844 10.452 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.369 7.474 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.605 8.466 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.770 9.929 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.466 8.532 2.522 1.00 0.00 H new ATOM 972 N GLN A 62 10.301 8.226 4.875 1.00 0.00 N ATOM 973 CA GLN A 62 8.989 7.891 5.425 1.00 0.00 C ATOM 974 C GLN A 62 8.408 9.076 6.183 1.00 0.00 C ATOM 975 O GLN A 62 7.253 9.451 5.982 1.00 0.00 O ATOM 976 CB GLN A 62 9.061 6.694 6.374 1.00 0.00 C ATOM 977 CG GLN A 62 9.430 5.378 5.711 1.00 0.00 C ATOM 978 CD GLN A 62 9.326 4.196 6.661 1.00 0.00 C ATOM 979 OE1 GLN A 62 10.074 3.232 6.556 1.00 0.00 O ATOM 980 NE2 GLN A 62 8.378 4.248 7.587 1.00 0.00 N ATOM 0 H GLN A 62 11.080 7.718 5.294 1.00 0.00 H new ATOM 0 HA GLN A 62 8.349 7.635 4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.792 6.910 7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.095 6.579 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.776 5.210 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.448 5.442 5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.770 5.065 7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.257 3.471 8.237 1.00 0.00 H new ATOM 989 N LEU A 63 9.225 9.657 7.052 1.00 0.00 N ATOM 990 CA LEU A 63 8.790 10.743 7.921 1.00 0.00 C ATOM 991 C LEU A 63 8.253 11.917 7.111 1.00 0.00 C ATOM 992 O LEU A 63 7.189 12.450 7.413 1.00 0.00 O ATOM 993 CB LEU A 63 9.952 11.198 8.810 1.00 0.00 C ATOM 994 CG LEU A 63 9.598 12.234 9.876 1.00 0.00 C ATOM 995 CD1 LEU A 63 8.543 11.690 10.828 1.00 0.00 C ATOM 996 CD2 LEU A 63 10.843 12.647 10.646 1.00 0.00 C ATOM 0 H LEU A 63 10.202 9.391 7.174 1.00 0.00 H new ATOM 0 HA LEU A 63 7.980 10.373 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.373 10.322 9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.734 11.611 8.173 1.00 0.00 H new ATOM 0 HG LEU A 63 9.188 13.112 9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.306 12.444 11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.642 11.440 10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.924 10.795 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.575 13.385 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.278 11.773 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.570 13.079 9.958 1.00 0.00 H new ATOM 1008 N THR A 64 8.979 12.295 6.070 1.00 0.00 N ATOM 1009 CA THR A 64 8.589 13.424 5.233 1.00 0.00 C ATOM 1010 C THR A 64 7.255 13.158 4.524 1.00 0.00 C ATOM 1011 O THR A 64 6.443 14.069 4.350 1.00 0.00 O ATOM 1012 CB THR A 64 9.686 13.727 4.193 1.00 0.00 C ATOM 1013 OG1 THR A 64 10.967 13.780 4.846 1.00 0.00 O ATOM 1014 CG2 THR A 64 9.424 15.049 3.485 1.00 0.00 C ATOM 0 H THR A 64 9.844 11.837 5.783 1.00 0.00 H new ATOM 0 HA THR A 64 8.463 14.290 5.882 1.00 0.00 H new ATOM 0 HB THR A 64 9.679 12.931 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.319 12.871 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.214 15.235 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.463 15.003 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.407 15.857 4.217 1.00 0.00 H new ATOM 1022 N ALA A 65 7.022 11.908 4.140 1.00 0.00 N ATOM 1023 CA ALA A 65 5.772 11.538 3.487 1.00 0.00 C ATOM 1024 C ALA A 65 4.603 11.657 4.461 1.00 0.00 C ATOM 1025 O ALA A 65 3.532 12.162 4.113 1.00 0.00 O ATOM 1026 CB ALA A 65 5.860 10.125 2.929 1.00 0.00 C ATOM 0 H ALA A 65 7.678 11.138 4.269 1.00 0.00 H new ATOM 0 HA ALA A 65 5.600 12.225 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.918 9.866 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.669 10.071 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.056 9.425 3.741 1.00 0.00 H new ATOM 1032 N VAL A 66 4.822 11.197 5.687 1.00 0.00 N ATOM 1033 CA VAL A 66 3.822 11.309 6.743 1.00 0.00 C ATOM 1034 C VAL A 66 3.605 12.775 7.111 1.00 0.00 C ATOM 1035 O VAL A 66 2.494 13.187 7.444 1.00 0.00 O ATOM 1036 CB VAL A 66 4.233 10.513 8.000 1.00 0.00 C ATOM 1037 CG1 VAL A 66 3.158 10.599 9.076 1.00 0.00 C ATOM 1038 CG2 VAL A 66 4.511 9.060 7.643 1.00 0.00 C ATOM 0 H VAL A 66 5.687 10.741 5.976 1.00 0.00 H new ATOM 0 HA VAL A 66 2.892 10.887 6.362 1.00 0.00 H new ATOM 0 HB VAL A 66 5.147 10.956 8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.472 10.030 9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.007 11.641 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.225 10.188 8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.799 8.513 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.613 8.612 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.320 9.013 6.914 1.00 0.00 H new ATOM 1048 N LYS A 67 4.678 13.555 7.035 1.00 0.00 N ATOM 1049 CA LYS A 67 4.627 14.979 7.332 1.00 0.00 C ATOM 1050 C LYS A 67 3.627 15.701 6.430 1.00 0.00 C ATOM 1051 O LYS A 67 2.879 16.564 6.891 1.00 0.00 O ATOM 1052 CB LYS A 67 6.024 15.593 7.191 1.00 0.00 C ATOM 1053 CG LYS A 67 6.922 15.350 8.395 1.00 0.00 C ATOM 1054 CD LYS A 67 8.312 15.914 8.173 1.00 0.00 C ATOM 1055 CE LYS A 67 9.182 15.752 9.409 1.00 0.00 C ATOM 1056 NZ LYS A 67 10.555 16.276 9.189 1.00 0.00 N ATOM 0 H LYS A 67 5.603 13.218 6.767 1.00 0.00 H new ATOM 0 HA LYS A 67 4.288 15.101 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.504 15.183 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.925 16.667 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.479 15.808 9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.989 14.280 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.780 15.409 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.240 16.970 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.723 16.275 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.234 14.698 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.118 16.148 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.002 15.759 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.507 17.288 8.954 1.00 0.00 H new ATOM 1070 N ASP A 68 3.611 15.353 5.149 1.00 0.00 N ATOM 1071 CA ASP A 68 2.638 15.934 4.227 1.00 0.00 C ATOM 1072 C ASP A 68 1.256 15.345 4.478 1.00 0.00 C ATOM 1073 O ASP A 68 0.242 16.043 4.438 1.00 0.00 O ATOM 1074 CB ASP A 68 3.039 15.689 2.775 1.00 0.00 C ATOM 1075 CG ASP A 68 2.289 16.606 1.828 1.00 0.00 C ATOM 1076 OD1 ASP A 68 1.187 16.234 1.370 1.00 0.00 O ATOM 1077 OD2 ASP A 68 2.791 17.716 1.552 1.00 0.00 O ATOM 0 H ASP A 68 4.251 14.680 4.727 1.00 0.00 H new ATOM 0 HA ASP A 68 2.614 17.009 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.112 15.846 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.839 14.650 2.512 1.00 0.00 H new ATOM 1082 N MET A 69 1.240 14.046 4.738 1.00 0.00 N ATOM 1083 CA MET A 69 0.005 13.295 4.942 1.00 0.00 C ATOM 1084 C MET A 69 -0.810 13.864 6.099 1.00 0.00 C ATOM 1085 O MET A 69 -2.019 14.083 5.979 1.00 0.00 O ATOM 1086 CB MET A 69 0.349 11.836 5.227 1.00 0.00 C ATOM 1087 CG MET A 69 -0.790 10.865 4.973 1.00 0.00 C ATOM 1088 SD MET A 69 -0.291 9.151 5.220 1.00 0.00 S ATOM 1089 CE MET A 69 1.117 9.049 4.116 1.00 0.00 C ATOM 0 H MET A 69 2.085 13.479 4.814 1.00 0.00 H new ATOM 0 HA MET A 69 -0.598 13.372 4.037 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.201 11.548 4.610 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.663 11.745 6.267 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.620 11.099 5.639 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.153 10.993 3.953 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.263 8.014 3.808 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.936 9.667 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.010 9.404 4.631 1.00 0.00 H new ATOM 1099 N ARG A 70 -0.130 14.107 7.211 1.00 0.00 N ATOM 1100 CA ARG A 70 -0.771 14.622 8.423 1.00 0.00 C ATOM 1101 C ARG A 70 -1.371 16.011 8.185 1.00 0.00 C ATOM 1102 O ARG A 70 -2.343 16.396 8.836 1.00 0.00 O ATOM 1103 CB ARG A 70 0.242 14.684 9.573 1.00 0.00 C ATOM 1104 CG ARG A 70 1.342 15.712 9.350 1.00 0.00 C ATOM 1105 CD ARG A 70 2.372 15.712 10.466 1.00 0.00 C ATOM 1106 NE ARG A 70 3.357 16.778 10.279 1.00 0.00 N ATOM 1107 CZ ARG A 70 4.466 16.917 11.002 1.00 0.00 C ATOM 1108 NH1 ARG A 70 4.749 16.060 11.974 1.00 0.00 N ATOM 1109 NH2 ARG A 70 5.290 17.927 10.753 1.00 0.00 N ATOM 0 H ARG A 70 0.874 13.956 7.303 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.579 13.941 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.283 14.919 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.694 13.701 9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.839 15.508 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.897 16.704 9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.872 15.840 11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.878 14.747 10.497 1.00 0.00 H new ATOM 0 HE ARG A 70 3.182 17.462 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.114 15.286 12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.601 16.174 12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.072 18.592 10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.141 18.038 11.304 1.00 0.00 H new ATOM 1123 N LYS A 71 -0.802 16.741 7.236 1.00 0.00 N ATOM 1124 CA LYS A 71 -1.211 18.114 6.952 1.00 0.00 C ATOM 1125 C LYS A 71 -2.658 18.174 6.475 1.00 0.00 C ATOM 1126 O LYS A 71 -3.422 19.050 6.873 1.00 0.00 O ATOM 1127 CB LYS A 71 -0.290 18.693 5.881 1.00 0.00 C ATOM 1128 CG LYS A 71 -0.658 20.091 5.416 1.00 0.00 C ATOM 1129 CD LYS A 71 0.215 20.526 4.251 1.00 0.00 C ATOM 1130 CE LYS A 71 0.186 19.500 3.125 1.00 0.00 C ATOM 1131 NZ LYS A 71 0.992 19.930 1.955 1.00 0.00 N ATOM 0 H LYS A 71 -0.046 16.402 6.641 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.138 18.698 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.729 18.710 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.293 18.026 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.706 20.115 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.545 20.794 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.129 21.490 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.240 20.664 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.564 18.547 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.845 19.334 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.366 20.080 1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.485 20.817 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.690 19.194 1.725 1.00 0.00 H new ATOM 1145 N ASN A 72 -3.029 17.218 5.640 1.00 0.00 N ATOM 1146 CA ASN A 72 -4.370 17.186 5.055 1.00 0.00 C ATOM 1147 C ASN A 72 -5.333 16.371 5.908 1.00 0.00 C ATOM 1148 O ASN A 72 -6.481 16.146 5.520 1.00 0.00 O ATOM 1149 CB ASN A 72 -4.323 16.614 3.640 1.00 0.00 C ATOM 1150 CG ASN A 72 -3.762 17.591 2.628 1.00 0.00 C ATOM 1151 OD1 ASN A 72 -2.548 17.676 2.434 1.00 0.00 O ATOM 1152 ND2 ASN A 72 -4.643 18.323 1.963 1.00 0.00 N ATOM 0 H ASN A 72 -2.424 16.451 5.348 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.734 18.213 5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.715 15.709 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.329 16.323 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.325 18.989 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.640 18.221 2.155 1.00 0.00 H new ATOM 1159 N GLY A 73 -4.867 15.935 7.067 1.00 0.00 N ATOM 1160 CA GLY A 73 -5.711 15.172 7.961 1.00 0.00 C ATOM 1161 C GLY A 73 -5.892 13.740 7.505 1.00 0.00 C ATOM 1162 O GLY A 73 -6.939 13.135 7.741 1.00 0.00 O ATOM 0 H GLY A 73 -3.918 16.096 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.277 15.180 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.686 15.653 8.034 1.00 0.00 H new ATOM 1166 N TRP A 74 -4.881 13.205 6.833 1.00 0.00 N ATOM 1167 CA TRP A 74 -4.881 11.806 6.440 1.00 0.00 C ATOM 1168 C TRP A 74 -3.979 11.004 7.362 1.00 0.00 C ATOM 1169 O TRP A 74 -3.175 11.573 8.105 1.00 0.00 O ATOM 1170 CB TRP A 74 -4.425 11.634 4.987 1.00 0.00 C ATOM 1171 CG TRP A 74 -5.517 11.862 3.987 1.00 0.00 C ATOM 1172 CD1 TRP A 74 -6.742 11.270 3.983 1.00 0.00 C ATOM 1173 CD2 TRP A 74 -5.481 12.715 2.837 1.00 0.00 C ATOM 1174 NE1 TRP A 74 -7.471 11.697 2.904 1.00 0.00 N ATOM 1175 CE2 TRP A 74 -6.723 12.589 2.186 1.00 0.00 C ATOM 1176 CE3 TRP A 74 -4.527 13.575 2.298 1.00 0.00 C ATOM 1177 CZ2 TRP A 74 -7.029 13.285 1.018 1.00 0.00 C ATOM 1178 CZ3 TRP A 74 -4.830 14.268 1.141 1.00 0.00 C ATOM 1179 CH2 TRP A 74 -6.072 14.122 0.514 1.00 0.00 C ATOM 0 H TRP A 74 -4.049 13.722 6.549 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.903 11.436 6.521 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.609 12.328 4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.028 10.628 4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.090 10.565 4.724 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.419 11.398 2.674 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.566 13.698 2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.985 13.168 0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -4.095 14.934 0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -6.279 14.682 -0.386 1.00 0.00 H new ATOM 1190 N VAL A 75 -4.120 9.689 7.315 1.00 0.00 N ATOM 1191 CA VAL A 75 -3.326 8.802 8.148 1.00 0.00 C ATOM 1192 C VAL A 75 -2.750 7.669 7.314 1.00 0.00 C ATOM 1193 O VAL A 75 -3.202 7.416 6.191 1.00 0.00 O ATOM 1194 CB VAL A 75 -4.152 8.208 9.316 1.00 0.00 C ATOM 1195 CG1 VAL A 75 -4.604 9.301 10.275 1.00 0.00 C ATOM 1196 CG2 VAL A 75 -5.353 7.430 8.794 1.00 0.00 C ATOM 0 H VAL A 75 -4.782 9.210 6.704 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.519 9.399 8.572 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.507 7.519 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.182 8.857 11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.731 9.808 10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.223 10.021 9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.916 7.023 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.994 8.095 8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.009 6.614 8.158 1.00 0.00 H new ATOM 1206 N MET A 76 -1.756 6.990 7.864 1.00 0.00 N ATOM 1207 CA MET A 76 -1.120 5.879 7.180 1.00 0.00 C ATOM 1208 C MET A 76 -1.993 4.635 7.291 1.00 0.00 C ATOM 1209 O MET A 76 -2.284 4.165 8.392 1.00 0.00 O ATOM 1210 CB MET A 76 0.267 5.610 7.775 1.00 0.00 C ATOM 1211 CG MET A 76 1.033 4.504 7.064 1.00 0.00 C ATOM 1212 SD MET A 76 2.663 4.211 7.772 1.00 0.00 S ATOM 1213 CE MET A 76 2.220 3.655 9.416 1.00 0.00 C ATOM 0 H MET A 76 -1.372 7.191 8.787 1.00 0.00 H new ATOM 0 HA MET A 76 -1.000 6.135 6.127 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.853 6.528 7.737 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.157 5.345 8.827 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.453 3.582 7.107 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.141 4.764 6.011 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.055 3.107 9.852 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.985 4.517 10.041 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.349 3.002 9.357 1.00 0.00 H new ATOM 1223 N LEU A 77 -2.414 4.112 6.151 1.00 0.00 N ATOM 1224 CA LEU A 77 -3.272 2.934 6.120 1.00 0.00 C ATOM 1225 C LEU A 77 -2.438 1.667 6.022 1.00 0.00 C ATOM 1226 O LEU A 77 -2.972 0.564 5.904 1.00 0.00 O ATOM 1227 CB LEU A 77 -4.239 3.009 4.938 1.00 0.00 C ATOM 1228 CG LEU A 77 -5.187 4.209 4.948 1.00 0.00 C ATOM 1229 CD1 LEU A 77 -6.062 4.194 3.709 1.00 0.00 C ATOM 1230 CD2 LEU A 77 -6.047 4.206 6.204 1.00 0.00 C ATOM 0 H LEU A 77 -2.176 4.484 5.232 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.845 2.907 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.659 3.032 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.834 2.096 4.918 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.590 5.121 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.733 5.053 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.434 4.243 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.649 3.276 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.714 5.068 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.638 3.291 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.406 4.257 7.084 1.00 0.00 H new ATOM 1242 N GLY A 78 -1.128 1.840 6.055 1.00 0.00 N ATOM 1243 CA GLY A 78 -0.224 0.718 5.976 1.00 0.00 C ATOM 1244 C GLY A 78 0.731 0.860 4.815 1.00 0.00 C ATOM 1245 O GLY A 78 0.955 1.968 4.324 1.00 0.00 O ATOM 0 H GLY A 78 -0.672 2.749 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.340 0.637 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.795 -0.204 5.869 1.00 0.00 H new ATOM 1249 N ASN A 79 1.285 -0.252 4.367 1.00 0.00 N ATOM 1250 CA ASN A 79 2.200 -0.244 3.238 1.00 0.00 C ATOM 1251 C ASN A 79 1.944 -1.443 2.344 1.00 0.00 C ATOM 1252 O ASN A 79 1.263 -2.391 2.739 1.00 0.00 O ATOM 1253 CB ASN A 79 3.667 -0.226 3.697 1.00 0.00 C ATOM 1254 CG ASN A 79 4.030 -1.363 4.637 1.00 0.00 C ATOM 1255 OD1 ASN A 79 4.439 -2.441 4.201 1.00 0.00 O ATOM 1256 ND2 ASN A 79 3.903 -1.123 5.934 1.00 0.00 N ATOM 0 H ASN A 79 1.117 -1.175 4.768 1.00 0.00 H new ATOM 0 HA ASN A 79 2.018 0.669 2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.313 -0.272 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.871 0.723 4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.148 -1.844 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.561 -0.217 6.254 1.00 0.00 H new ATOM 1263 N PHE A 80 2.488 -1.398 1.143 1.00 0.00 N ATOM 1264 CA PHE A 80 2.266 -2.459 0.174 1.00 0.00 C ATOM 1265 C PHE A 80 3.582 -3.089 -0.248 1.00 0.00 C ATOM 1266 O PHE A 80 4.617 -2.423 -0.287 1.00 0.00 O ATOM 1267 CB PHE A 80 1.495 -1.939 -1.050 1.00 0.00 C ATOM 1268 CG PHE A 80 2.195 -0.846 -1.819 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.045 0.485 -1.458 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.995 -1.152 -2.911 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.679 1.489 -2.169 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.629 -0.153 -3.626 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.472 1.167 -3.255 1.00 0.00 C ATOM 0 H PHE A 80 3.086 -0.640 0.813 1.00 0.00 H new ATOM 0 HA PHE A 80 1.658 -3.226 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.305 -2.774 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.525 -1.568 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.425 0.741 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.124 -2.183 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.555 2.521 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.247 -0.406 -4.475 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.968 1.948 -3.812 1.00 0.00 H new ATOM 1283 N HIS A 81 3.537 -4.383 -0.522 1.00 0.00 N ATOM 1284 CA HIS A 81 4.700 -5.123 -0.991 1.00 0.00 C ATOM 1285 C HIS A 81 4.391 -5.709 -2.357 1.00 0.00 C ATOM 1286 O HIS A 81 3.259 -6.114 -2.618 1.00 0.00 O ATOM 1287 CB HIS A 81 5.069 -6.268 -0.033 1.00 0.00 C ATOM 1288 CG HIS A 81 5.427 -5.844 1.359 1.00 0.00 C ATOM 1289 ND1 HIS A 81 5.727 -6.743 2.360 1.00 0.00 N ATOM 1290 CD2 HIS A 81 5.518 -4.617 1.923 1.00 0.00 C ATOM 1291 CE1 HIS A 81 5.978 -6.087 3.477 1.00 0.00 C ATOM 1292 NE2 HIS A 81 5.858 -4.794 3.241 1.00 0.00 N ATOM 0 H HIS A 81 2.695 -4.950 -0.426 1.00 0.00 H new ATOM 0 HA HIS A 81 5.543 -4.434 -1.041 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.229 -6.961 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.910 -6.818 -0.456 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.751 -7.757 2.254 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.353 -3.672 1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.238 -6.533 4.425 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.995 -4.050 3.925 1.00 0.00 H new ATOM 1301 N SER A 82 5.377 -5.765 -3.224 1.00 0.00 N ATOM 1302 CA SER A 82 5.175 -6.344 -4.539 1.00 0.00 C ATOM 1303 C SER A 82 6.073 -7.559 -4.717 1.00 0.00 C ATOM 1304 O SER A 82 7.226 -7.554 -4.299 1.00 0.00 O ATOM 1305 CB SER A 82 5.458 -5.304 -5.624 1.00 0.00 C ATOM 1306 OG SER A 82 4.684 -4.133 -5.422 1.00 0.00 O ATOM 0 H SER A 82 6.321 -5.420 -3.047 1.00 0.00 H new ATOM 0 HA SER A 82 4.136 -6.662 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.518 -5.049 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.236 -5.726 -6.604 1.00 0.00 H new ATOM 0 HG SER A 82 5.088 -3.592 -4.711 1.00 0.00 H new ATOM 1312 N HIS A 83 5.539 -8.614 -5.310 1.00 0.00 N ATOM 1313 CA HIS A 83 6.341 -9.789 -5.601 1.00 0.00 C ATOM 1314 C HIS A 83 6.560 -9.885 -7.107 1.00 0.00 C ATOM 1315 O HIS A 83 5.639 -9.636 -7.883 1.00 0.00 O ATOM 1316 CB HIS A 83 5.653 -11.062 -5.085 1.00 0.00 C ATOM 1317 CG HIS A 83 5.533 -11.154 -3.586 1.00 0.00 C ATOM 1318 ND1 HIS A 83 4.619 -11.981 -2.963 1.00 0.00 N ATOM 1319 CD2 HIS A 83 6.224 -10.546 -2.585 1.00 0.00 C ATOM 1320 CE1 HIS A 83 4.750 -11.876 -1.654 1.00 0.00 C ATOM 1321 NE2 HIS A 83 5.714 -11.014 -1.395 1.00 0.00 N ATOM 0 H HIS A 83 4.562 -8.681 -5.597 1.00 0.00 H new ATOM 0 HA HIS A 83 7.302 -9.697 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.655 -11.120 -5.519 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.208 -11.929 -5.445 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.946 -12.581 -3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.024 -9.830 -2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.165 -12.407 -0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.030 -10.739 -0.465 1.00 0.00 H new ATOM 1330 N PRO A 84 7.770 -10.266 -7.542 1.00 0.00 N ATOM 1331 CA PRO A 84 8.106 -10.334 -8.964 1.00 0.00 C ATOM 1332 C PRO A 84 7.666 -11.640 -9.620 1.00 0.00 C ATOM 1333 O PRO A 84 6.928 -11.634 -10.599 1.00 0.00 O ATOM 1334 CB PRO A 84 9.640 -10.225 -8.981 1.00 0.00 C ATOM 1335 CG PRO A 84 10.083 -10.151 -7.548 1.00 0.00 C ATOM 1336 CD PRO A 84 8.923 -10.602 -6.704 1.00 0.00 C ATOM 0 HA PRO A 84 7.598 -9.551 -9.527 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.084 -11.087 -9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.959 -9.340 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.952 -10.787 -7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.377 -9.134 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.970 -11.669 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.893 -10.083 -5.746 1.00 0.00 H new ATOM 1344 N ALA A 85 8.111 -12.758 -9.067 1.00 0.00 N ATOM 1345 CA ALA A 85 7.820 -14.062 -9.645 1.00 0.00 C ATOM 1346 C ALA A 85 7.150 -14.960 -8.617 1.00 0.00 C ATOM 1347 O ALA A 85 7.244 -16.186 -8.680 1.00 0.00 O ATOM 1348 CB ALA A 85 9.097 -14.700 -10.178 1.00 0.00 C ATOM 0 H ALA A 85 8.675 -12.789 -8.218 1.00 0.00 H new ATOM 0 HA ALA A 85 7.131 -13.931 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.865 -15.675 -10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.531 -14.059 -10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.810 -14.823 -9.363 1.00 0.00 H new ATOM 1354 N THR A 86 6.465 -14.338 -7.676 1.00 0.00 N ATOM 1355 CA THR A 86 5.758 -15.064 -6.639 1.00 0.00 C ATOM 1356 C THR A 86 4.336 -14.524 -6.483 1.00 0.00 C ATOM 1357 O THR A 86 4.071 -13.358 -6.794 1.00 0.00 O ATOM 1358 CB THR A 86 6.514 -14.992 -5.295 1.00 0.00 C ATOM 1359 OG1 THR A 86 7.239 -13.756 -5.198 1.00 0.00 O ATOM 1360 CG2 THR A 86 7.473 -16.164 -5.147 1.00 0.00 C ATOM 0 H THR A 86 6.383 -13.323 -7.609 1.00 0.00 H new ATOM 0 HA THR A 86 5.703 -16.111 -6.938 1.00 0.00 H new ATOM 0 HB THR A 86 5.779 -15.042 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.713 -13.721 -4.341 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.993 -16.090 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.914 -17.099 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.200 -16.144 -5.959 1.00 0.00 H new ATOM 1368 N PRO A 87 3.404 -15.365 -6.003 1.00 0.00 N ATOM 1369 CA PRO A 87 1.983 -15.011 -5.888 1.00 0.00 C ATOM 1370 C PRO A 87 1.719 -13.932 -4.839 1.00 0.00 C ATOM 1371 O PRO A 87 2.609 -13.550 -4.067 1.00 0.00 O ATOM 1372 CB PRO A 87 1.308 -16.326 -5.468 1.00 0.00 C ATOM 1373 CG PRO A 87 2.319 -17.392 -5.713 1.00 0.00 C ATOM 1374 CD PRO A 87 3.656 -16.737 -5.545 1.00 0.00 C ATOM 0 HA PRO A 87 1.606 -14.597 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.014 -16.298 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.402 -16.504 -6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.196 -18.216 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.212 -17.809 -6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.992 -16.762 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.425 -17.228 -6.141 1.00 0.00 H new ATOM 1382 N ALA A 88 0.484 -13.453 -4.810 1.00 0.00 N ATOM 1383 CA ALA A 88 0.075 -12.450 -3.848 1.00 0.00 C ATOM 1384 C ALA A 88 -0.410 -13.122 -2.572 1.00 0.00 C ATOM 1385 O ALA A 88 -1.591 -13.435 -2.426 1.00 0.00 O ATOM 1386 CB ALA A 88 -1.008 -11.551 -4.431 1.00 0.00 C ATOM 0 H ALA A 88 -0.255 -13.748 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 88 0.935 -11.824 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.299 -10.806 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.625 -11.049 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.875 -12.154 -4.700 1.00 0.00 H new ATOM 1392 N ARG A 89 0.523 -13.382 -1.680 1.00 0.00 N ATOM 1393 CA ARG A 89 0.223 -14.027 -0.413 1.00 0.00 C ATOM 1394 C ARG A 89 1.358 -13.725 0.559 1.00 0.00 C ATOM 1395 O ARG A 89 2.519 -13.663 0.143 1.00 0.00 O ATOM 1396 CB ARG A 89 0.080 -15.540 -0.629 1.00 0.00 C ATOM 1397 CG ARG A 89 -0.450 -16.306 0.573 1.00 0.00 C ATOM 1398 CD ARG A 89 -0.572 -17.789 0.263 1.00 0.00 C ATOM 1399 NE ARG A 89 -1.152 -18.541 1.370 1.00 0.00 N ATOM 1400 CZ ARG A 89 -1.376 -19.851 1.341 1.00 0.00 C ATOM 1401 NH1 ARG A 89 -1.085 -20.555 0.250 1.00 0.00 N ATOM 1402 NH2 ARG A 89 -1.905 -20.451 2.395 1.00 0.00 N ATOM 0 H ARG A 89 1.509 -13.154 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.715 -13.651 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.586 -15.711 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.053 -15.948 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.217 -16.162 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.424 -15.910 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.188 -17.922 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.414 -18.191 0.031 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.401 -18.031 2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.689 -20.090 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.258 -21.560 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.140 -19.909 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.078 -21.456 2.376 1.00 0.00 H new ATOM 1416 N PRO A 90 1.052 -13.511 1.848 1.00 0.00 N ATOM 1417 CA PRO A 90 2.072 -13.210 2.856 1.00 0.00 C ATOM 1418 C PRO A 90 3.067 -14.348 3.021 1.00 0.00 C ATOM 1419 O PRO A 90 2.716 -15.436 3.482 1.00 0.00 O ATOM 1420 CB PRO A 90 1.271 -13.004 4.148 1.00 0.00 C ATOM 1421 CG PRO A 90 -0.126 -12.746 3.702 1.00 0.00 C ATOM 1422 CD PRO A 90 -0.302 -13.511 2.422 1.00 0.00 C ATOM 0 HA PRO A 90 2.669 -12.342 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.324 -13.884 4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.662 -12.166 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.843 -13.075 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.295 -11.681 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.664 -14.523 2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.021 -13.029 1.760 1.00 0.00 H new ATOM 1430 N SER A 91 4.300 -14.100 2.615 1.00 0.00 N ATOM 1431 CA SER A 91 5.358 -15.082 2.748 1.00 0.00 C ATOM 1432 C SER A 91 5.862 -15.101 4.189 1.00 0.00 C ATOM 1433 O SER A 91 5.494 -14.234 4.987 1.00 0.00 O ATOM 1434 CB SER A 91 6.500 -14.727 1.800 1.00 0.00 C ATOM 1435 OG SER A 91 6.005 -14.086 0.633 1.00 0.00 O ATOM 0 H SER A 91 4.593 -13.221 2.188 1.00 0.00 H new ATOM 0 HA SER A 91 4.974 -16.070 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.209 -14.073 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.042 -15.631 1.522 1.00 0.00 H new ATOM 0 HG SER A 91 5.989 -13.116 0.774 1.00 0.00 H new ATOM 1441 N ALA A 92 6.690 -16.083 4.527 1.00 0.00 N ATOM 1442 CA ALA A 92 7.327 -16.122 5.839 1.00 0.00 C ATOM 1443 C ALA A 92 8.098 -14.830 6.079 1.00 0.00 C ATOM 1444 O ALA A 92 8.098 -14.283 7.185 1.00 0.00 O ATOM 1445 CB ALA A 92 8.255 -17.322 5.944 1.00 0.00 C ATOM 0 H ALA A 92 6.936 -16.860 3.914 1.00 0.00 H new ATOM 0 HA ALA A 92 6.555 -16.219 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.722 -17.336 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.682 -18.238 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.027 -17.253 5.178 1.00 0.00 H new ATOM 1451 N GLU A 93 8.740 -14.340 5.021 1.00 0.00 N ATOM 1452 CA GLU A 93 9.470 -13.080 5.072 1.00 0.00 C ATOM 1453 C GLU A 93 8.519 -11.920 5.359 1.00 0.00 C ATOM 1454 O GLU A 93 8.778 -11.105 6.243 1.00 0.00 O ATOM 1455 CB GLU A 93 10.210 -12.824 3.751 1.00 0.00 C ATOM 1456 CG GLU A 93 11.074 -13.988 3.287 1.00 0.00 C ATOM 1457 CD GLU A 93 10.334 -14.944 2.370 1.00 0.00 C ATOM 1458 OE1 GLU A 93 9.474 -15.706 2.858 1.00 0.00 O ATOM 1459 OE2 GLU A 93 10.611 -14.932 1.151 1.00 0.00 O ATOM 0 H GLU A 93 8.768 -14.802 4.112 1.00 0.00 H new ATOM 0 HA GLU A 93 10.201 -13.150 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.479 -12.597 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.839 -11.941 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.950 -13.599 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.436 -14.535 4.158 1.00 0.00 H new ATOM 1466 N ASP A 94 7.404 -11.873 4.627 1.00 0.00 N ATOM 1467 CA ASP A 94 6.410 -10.806 4.788 1.00 0.00 C ATOM 1468 C ASP A 94 5.815 -10.817 6.193 1.00 0.00 C ATOM 1469 O ASP A 94 5.551 -9.766 6.771 1.00 0.00 O ATOM 1470 CB ASP A 94 5.272 -10.940 3.762 1.00 0.00 C ATOM 1471 CG ASP A 94 5.679 -10.582 2.341 1.00 0.00 C ATOM 1472 OD1 ASP A 94 5.849 -9.378 2.050 1.00 0.00 O ATOM 1473 OD2 ASP A 94 5.806 -11.508 1.502 1.00 0.00 O ATOM 0 H ASP A 94 7.165 -12.563 3.915 1.00 0.00 H new ATOM 0 HA ASP A 94 6.930 -9.862 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.902 -11.965 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.445 -10.298 4.065 1.00 0.00 H new ATOM 1478 N LYS A 95 5.612 -12.014 6.736 1.00 0.00 N ATOM 1479 CA LYS A 95 5.017 -12.171 8.058 1.00 0.00 C ATOM 1480 C LYS A 95 5.961 -11.639 9.140 1.00 0.00 C ATOM 1481 O LYS A 95 5.524 -11.045 10.126 1.00 0.00 O ATOM 1482 CB LYS A 95 4.690 -13.648 8.307 1.00 0.00 C ATOM 1483 CG LYS A 95 3.375 -13.883 9.046 1.00 0.00 C ATOM 1484 CD LYS A 95 3.451 -13.477 10.511 1.00 0.00 C ATOM 1485 CE LYS A 95 2.086 -13.567 11.186 1.00 0.00 C ATOM 1486 NZ LYS A 95 2.145 -13.183 12.622 1.00 0.00 N ATOM 0 H LYS A 95 5.852 -12.893 6.278 1.00 0.00 H new ATOM 0 HA LYS A 95 4.094 -11.593 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.653 -14.167 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.501 -14.096 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.581 -13.319 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.106 -14.937 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.159 -14.121 11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.830 -12.458 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.382 -12.918 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.705 -14.585 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.202 -12.881 12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.456 -13.999 13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.819 -12.400 12.745 1.00 0.00 H new ATOM 1500 N ARG A 96 7.258 -11.854 8.952 1.00 0.00 N ATOM 1501 CA ARG A 96 8.258 -11.364 9.895 1.00 0.00 C ATOM 1502 C ARG A 96 8.477 -9.864 9.732 1.00 0.00 C ATOM 1503 O ARG A 96 8.996 -9.198 10.629 1.00 0.00 O ATOM 1504 CB ARG A 96 9.577 -12.115 9.722 1.00 0.00 C ATOM 1505 CG ARG A 96 9.504 -13.559 10.180 1.00 0.00 C ATOM 1506 CD ARG A 96 10.820 -14.285 9.965 1.00 0.00 C ATOM 1507 NE ARG A 96 10.774 -15.648 10.490 1.00 0.00 N ATOM 1508 CZ ARG A 96 11.092 -16.734 9.788 1.00 0.00 C ATOM 1509 NH1 ARG A 96 11.488 -16.627 8.525 1.00 0.00 N ATOM 1510 NH2 ARG A 96 11.015 -17.931 10.357 1.00 0.00 N ATOM 0 H ARG A 96 7.642 -12.364 8.156 1.00 0.00 H new ATOM 0 HA ARG A 96 7.884 -11.546 10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.869 -12.087 8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.357 -11.601 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.239 -13.592 11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.712 -14.073 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.052 -14.312 8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.624 -13.734 10.452 1.00 0.00 H new ATOM 0 HE ARG A 96 10.479 -15.776 11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.550 -15.708 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.730 -17.463 7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.713 -18.016 11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.257 -18.766 9.823 1.00 0.00 H new ATOM 1524 N LEU A 97 8.075 -9.339 8.582 1.00 0.00 N ATOM 1525 CA LEU A 97 8.187 -7.916 8.298 1.00 0.00 C ATOM 1526 C LEU A 97 6.883 -7.198 8.631 1.00 0.00 C ATOM 1527 O LEU A 97 6.666 -6.056 8.226 1.00 0.00 O ATOM 1528 CB LEU A 97 8.539 -7.708 6.827 1.00 0.00 C ATOM 1529 CG LEU A 97 9.910 -8.240 6.401 1.00 0.00 C ATOM 1530 CD1 LEU A 97 10.086 -8.106 4.899 1.00 0.00 C ATOM 1531 CD2 LEU A 97 11.022 -7.502 7.132 1.00 0.00 C ATOM 0 H LEU A 97 7.664 -9.885 7.824 1.00 0.00 H new ATOM 0 HA LEU A 97 8.979 -7.497 8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.775 -8.189 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.497 -6.641 6.608 1.00 0.00 H new ATOM 0 HG LEU A 97 9.966 -9.296 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.065 -8.488 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.310 -8.677 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.009 -7.056 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.988 -7.895 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.968 -6.439 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.907 -7.643 8.207 1.00 0.00 H new ATOM 1543 N ALA A 98 6.020 -7.874 9.374 1.00 0.00 N ATOM 1544 CA ALA A 98 4.753 -7.303 9.779 1.00 0.00 C ATOM 1545 C ALA A 98 4.885 -6.631 11.132 1.00 0.00 C ATOM 1546 O ALA A 98 4.873 -7.287 12.176 1.00 0.00 O ATOM 1547 CB ALA A 98 3.678 -8.370 9.821 1.00 0.00 C ATOM 0 H ALA A 98 6.179 -8.824 9.708 1.00 0.00 H new ATOM 0 HA ALA A 98 4.463 -6.551 9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.733 -7.922 10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.566 -8.813 8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.961 -9.144 10.535 1.00 0.00 H new ATOM 1553 N PHE A 99 5.027 -5.323 11.102 1.00 0.00 N ATOM 1554 CA PHE A 99 5.179 -4.536 12.313 1.00 0.00 C ATOM 1555 C PHE A 99 3.867 -3.847 12.655 1.00 0.00 C ATOM 1556 O PHE A 99 3.711 -3.278 13.739 1.00 0.00 O ATOM 1557 CB PHE A 99 6.284 -3.493 12.129 1.00 0.00 C ATOM 1558 CG PHE A 99 7.585 -4.071 11.643 1.00 0.00 C ATOM 1559 CD1 PHE A 99 8.367 -4.854 12.479 1.00 0.00 C ATOM 1560 CD2 PHE A 99 8.022 -3.836 10.349 1.00 0.00 C ATOM 1561 CE1 PHE A 99 9.559 -5.391 12.032 1.00 0.00 C ATOM 1562 CE2 PHE A 99 9.214 -4.371 9.898 1.00 0.00 C ATOM 1563 CZ PHE A 99 9.983 -5.151 10.742 1.00 0.00 C ATOM 0 H PHE A 99 5.041 -4.774 10.242 1.00 0.00 H new ATOM 0 HA PHE A 99 5.454 -5.201 13.131 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.945 -2.738 11.420 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.454 -2.985 13.078 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.041 -5.046 13.490 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.425 -3.228 9.686 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.159 -5.999 12.693 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.544 -4.180 8.888 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.914 -5.571 10.391 1.00 0.00 H new ATOM 1573 N ASP A 100 2.929 -3.895 11.717 1.00 0.00 N ATOM 1574 CA ASP A 100 1.638 -3.249 11.882 1.00 0.00 C ATOM 1575 C ASP A 100 0.514 -4.279 11.823 1.00 0.00 C ATOM 1576 O ASP A 100 -0.086 -4.489 10.771 1.00 0.00 O ATOM 1577 CB ASP A 100 1.418 -2.206 10.782 1.00 0.00 C ATOM 1578 CG ASP A 100 2.585 -1.256 10.614 1.00 0.00 C ATOM 1579 OD1 ASP A 100 2.672 -0.274 11.381 1.00 0.00 O ATOM 1580 OD2 ASP A 100 3.422 -1.493 9.712 1.00 0.00 O ATOM 0 H ASP A 100 3.043 -4.380 10.827 1.00 0.00 H new ATOM 0 HA ASP A 100 1.629 -2.758 12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.236 -2.718 9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.521 -1.631 11.011 1.00 0.00 H new ATOM 1585 N PRO A 101 0.225 -4.957 12.945 1.00 0.00 N ATOM 1586 CA PRO A 101 -0.829 -5.978 13.005 1.00 0.00 C ATOM 1587 C PRO A 101 -2.231 -5.381 12.923 1.00 0.00 C ATOM 1588 O PRO A 101 -3.196 -6.074 12.597 1.00 0.00 O ATOM 1589 CB PRO A 101 -0.619 -6.648 14.372 1.00 0.00 C ATOM 1590 CG PRO A 101 0.707 -6.164 14.858 1.00 0.00 C ATOM 1591 CD PRO A 101 0.907 -4.815 14.235 1.00 0.00 C ATOM 0 HA PRO A 101 -0.761 -6.667 12.163 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.414 -6.377 15.067 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.631 -7.734 14.282 1.00 0.00 H new ATOM 0 HG2 PRO A 101 0.724 -6.098 15.946 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.503 -6.850 14.568 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.470 -4.020 14.840 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.964 -4.578 14.111 1.00 0.00 H new ATOM 1599 N SER A 102 -2.339 -4.089 13.215 1.00 0.00 N ATOM 1600 CA SER A 102 -3.629 -3.416 13.210 1.00 0.00 C ATOM 1601 C SER A 102 -3.891 -2.770 11.846 1.00 0.00 C ATOM 1602 O SER A 102 -5.005 -2.335 11.551 1.00 0.00 O ATOM 1603 CB SER A 102 -3.672 -2.360 14.321 1.00 0.00 C ATOM 1604 OG SER A 102 -4.998 -1.927 14.575 1.00 0.00 O ATOM 0 H SER A 102 -1.550 -3.490 13.457 1.00 0.00 H new ATOM 0 HA SER A 102 -4.411 -4.153 13.395 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.242 -2.773 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.057 -1.506 14.037 1.00 0.00 H new ATOM 0 HG SER A 102 -5.528 -1.996 13.753 1.00 0.00 H new ATOM 1610 N LEU A 103 -2.857 -2.721 11.016 1.00 0.00 N ATOM 1611 CA LEU A 103 -2.973 -2.142 9.686 1.00 0.00 C ATOM 1612 C LEU A 103 -3.052 -3.245 8.639 1.00 0.00 C ATOM 1613 O LEU A 103 -3.168 -4.423 8.976 1.00 0.00 O ATOM 1614 CB LEU A 103 -1.792 -1.211 9.393 1.00 0.00 C ATOM 1615 CG LEU A 103 -1.747 0.068 10.235 1.00 0.00 C ATOM 1616 CD1 LEU A 103 -0.534 0.905 9.872 1.00 0.00 C ATOM 1617 CD2 LEU A 103 -3.022 0.877 10.048 1.00 0.00 C ATOM 0 H LEU A 103 -1.928 -3.076 11.242 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.889 -1.552 9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.866 -1.764 9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.822 -0.933 8.340 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.669 -0.218 11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.520 1.809 10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.373 0.330 10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.583 1.178 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.971 1.782 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.129 1.149 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.880 0.281 10.358 1.00 0.00 H new ATOM 1629 N SER A 104 -2.995 -2.868 7.374 1.00 0.00 N ATOM 1630 CA SER A 104 -3.121 -3.830 6.297 1.00 0.00 C ATOM 1631 C SER A 104 -1.897 -3.803 5.394 1.00 0.00 C ATOM 1632 O SER A 104 -1.399 -2.733 5.033 1.00 0.00 O ATOM 1633 CB SER A 104 -4.368 -3.526 5.476 1.00 0.00 C ATOM 1634 OG SER A 104 -5.491 -3.307 6.313 1.00 0.00 O ATOM 0 H SER A 104 -2.862 -1.904 7.069 1.00 0.00 H new ATOM 0 HA SER A 104 -3.203 -4.824 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.194 -2.645 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.572 -4.355 4.799 1.00 0.00 H new ATOM 0 HG SER A 104 -6.314 -3.429 5.795 1.00 0.00 H new ATOM 1640 N TYR A 105 -1.417 -4.980 5.035 1.00 0.00 N ATOM 1641 CA TYR A 105 -0.318 -5.109 4.097 1.00 0.00 C ATOM 1642 C TYR A 105 -0.844 -5.588 2.755 1.00 0.00 C ATOM 1643 O TYR A 105 -1.296 -6.725 2.625 1.00 0.00 O ATOM 1644 CB TYR A 105 0.740 -6.081 4.624 1.00 0.00 C ATOM 1645 CG TYR A 105 1.513 -5.549 5.808 1.00 0.00 C ATOM 1646 CD1 TYR A 105 2.627 -4.745 5.621 1.00 0.00 C ATOM 1647 CD2 TYR A 105 1.132 -5.850 7.108 1.00 0.00 C ATOM 1648 CE1 TYR A 105 3.343 -4.255 6.695 1.00 0.00 C ATOM 1649 CE2 TYR A 105 1.842 -5.361 8.188 1.00 0.00 C ATOM 1650 CZ TYR A 105 2.947 -4.566 7.974 1.00 0.00 C ATOM 1651 OH TYR A 105 3.656 -4.075 9.046 1.00 0.00 O ATOM 0 H TYR A 105 -1.776 -5.869 5.384 1.00 0.00 H new ATOM 0 HA TYR A 105 0.150 -4.132 3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.255 -7.015 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.438 -6.316 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 105 2.940 -4.498 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.268 -6.475 7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 105 4.209 -3.631 6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 105 1.532 -5.601 9.195 1.00 0.00 H new ATOM 0 HH TYR A 105 3.426 -3.133 9.186 1.00 0.00 H new ATOM 1661 N LEU A 106 -0.823 -4.709 1.771 1.00 0.00 N ATOM 1662 CA LEU A 106 -1.272 -5.065 0.437 1.00 0.00 C ATOM 1663 C LEU A 106 -0.132 -5.705 -0.328 1.00 0.00 C ATOM 1664 O LEU A 106 1.013 -5.269 -0.226 1.00 0.00 O ATOM 1665 CB LEU A 106 -1.796 -3.839 -0.321 1.00 0.00 C ATOM 1666 CG LEU A 106 -3.204 -3.370 0.067 1.00 0.00 C ATOM 1667 CD1 LEU A 106 -3.238 -2.823 1.489 1.00 0.00 C ATOM 1668 CD2 LEU A 106 -3.700 -2.327 -0.921 1.00 0.00 C ATOM 0 H LEU A 106 -0.501 -3.746 1.869 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.094 -5.775 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.102 -3.013 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.789 -4.063 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.869 -4.233 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.251 -2.500 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.930 -3.602 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.558 -1.975 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.700 -2.002 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.025 -1.471 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.731 -2.759 -1.921 1.00 0.00 H new ATOM 1680 N ILE A 107 -0.434 -6.751 -1.067 1.00 0.00 N ATOM 1681 CA ILE A 107 0.578 -7.437 -1.840 1.00 0.00 C ATOM 1682 C ILE A 107 0.190 -7.478 -3.310 1.00 0.00 C ATOM 1683 O ILE A 107 -0.897 -7.937 -3.664 1.00 0.00 O ATOM 1684 CB ILE A 107 0.826 -8.868 -1.316 1.00 0.00 C ATOM 1685 CG1 ILE A 107 1.305 -8.817 0.139 1.00 0.00 C ATOM 1686 CG2 ILE A 107 1.845 -9.590 -2.187 1.00 0.00 C ATOM 1687 CD1 ILE A 107 1.568 -10.176 0.746 1.00 0.00 C ATOM 0 H ILE A 107 -1.372 -7.144 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 107 1.506 -6.876 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.111 -9.423 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.218 -8.225 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.556 -8.301 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.006 -10.597 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.473 -9.649 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.787 -9.042 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.903 -10.056 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.651 -10.766 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.339 -10.688 0.171 1.00 0.00 H new ATOM 1699 N ILE A 108 1.076 -6.969 -4.150 1.00 0.00 N ATOM 1700 CA ILE A 108 0.864 -6.970 -5.585 1.00 0.00 C ATOM 1701 C ILE A 108 1.731 -8.043 -6.227 1.00 0.00 C ATOM 1702 O ILE A 108 2.944 -8.085 -6.014 1.00 0.00 O ATOM 1703 CB ILE A 108 1.207 -5.598 -6.210 1.00 0.00 C ATOM 1704 CG1 ILE A 108 0.428 -4.480 -5.509 1.00 0.00 C ATOM 1705 CG2 ILE A 108 0.901 -5.604 -7.702 1.00 0.00 C ATOM 1706 CD1 ILE A 108 0.798 -3.088 -5.984 1.00 0.00 C ATOM 0 H ILE A 108 1.957 -6.546 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.191 -7.176 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 108 2.273 -5.413 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.639 -4.637 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.602 -4.546 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.148 -4.631 -8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.495 -6.376 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.158 -5.809 -7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.206 -2.350 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.857 -2.910 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.597 -3.003 -7.052 1.00 0.00 H new ATOM 1718 N SER A 109 1.112 -8.925 -6.986 1.00 0.00 N ATOM 1719 CA SER A 109 1.844 -9.981 -7.662 1.00 0.00 C ATOM 1720 C SER A 109 2.052 -9.631 -9.129 1.00 0.00 C ATOM 1721 O SER A 109 1.090 -9.435 -9.874 1.00 0.00 O ATOM 1722 CB SER A 109 1.103 -11.314 -7.534 1.00 0.00 C ATOM 1723 OG SER A 109 1.849 -12.370 -8.114 1.00 0.00 O ATOM 0 H SER A 109 0.105 -8.933 -7.151 1.00 0.00 H new ATOM 0 HA SER A 109 2.820 -10.080 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.917 -11.531 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.131 -11.241 -8.021 1.00 0.00 H new ATOM 0 HG SER A 109 2.590 -12.612 -7.520 1.00 0.00 H new ATOM 1729 N LEU A 110 3.313 -9.543 -9.534 1.00 0.00 N ATOM 1730 CA LEU A 110 3.656 -9.279 -10.923 1.00 0.00 C ATOM 1731 C LEU A 110 4.017 -10.579 -11.631 1.00 0.00 C ATOM 1732 O LEU A 110 4.562 -10.566 -12.735 1.00 0.00 O ATOM 1733 CB LEU A 110 4.820 -8.284 -11.030 1.00 0.00 C ATOM 1734 CG LEU A 110 4.498 -6.831 -10.655 1.00 0.00 C ATOM 1735 CD1 LEU A 110 3.236 -6.360 -11.358 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.372 -6.665 -9.147 1.00 0.00 C ATOM 0 H LEU A 110 4.117 -9.651 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 110 2.785 -8.836 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.630 -8.633 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.193 -8.300 -12.054 1.00 0.00 H new ATOM 0 HG LEU A 110 5.328 -6.209 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.027 -5.328 -11.077 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.376 -6.422 -12.437 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.398 -6.993 -11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.144 -5.625 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.571 -7.305 -8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.311 -6.946 -8.670 1.00 0.00 H new ATOM 1748 N ALA A 111 3.688 -11.702 -10.986 1.00 0.00 N ATOM 1749 CA ALA A 111 3.942 -13.026 -11.545 1.00 0.00 C ATOM 1750 C ALA A 111 3.196 -13.199 -12.865 1.00 0.00 C ATOM 1751 O ALA A 111 3.613 -13.957 -13.742 1.00 0.00 O ATOM 1752 CB ALA A 111 3.529 -14.104 -10.553 1.00 0.00 C ATOM 0 H ALA A 111 3.242 -11.716 -10.069 1.00 0.00 H new ATOM 0 HA ALA A 111 5.010 -13.124 -11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.724 -15.087 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.102 -13.990 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.466 -14.008 -10.333 1.00 0.00 H new ATOM 1758 N GLU A 112 2.084 -12.492 -12.982 1.00 0.00 N ATOM 1759 CA GLU A 112 1.314 -12.449 -14.211 1.00 0.00 C ATOM 1760 C GLU A 112 1.233 -11.001 -14.692 1.00 0.00 C ATOM 1761 O GLU A 112 0.317 -10.272 -14.326 1.00 0.00 O ATOM 1762 CB GLU A 112 -0.089 -13.031 -13.996 1.00 0.00 C ATOM 1763 CG GLU A 112 -0.858 -13.252 -15.287 1.00 0.00 C ATOM 1764 CD GLU A 112 -0.145 -14.201 -16.222 1.00 0.00 C ATOM 1765 OE1 GLU A 112 0.843 -13.785 -16.852 1.00 0.00 O ATOM 1766 OE2 GLU A 112 -0.575 -15.368 -16.336 1.00 0.00 O ATOM 0 H GLU A 112 1.691 -11.932 -12.226 1.00 0.00 H new ATOM 0 HA GLU A 112 1.807 -13.057 -14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.003 -13.980 -13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.658 -12.359 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -1.847 -13.648 -15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.007 -12.295 -15.787 1.00 0.00 H new ATOM 1773 N PRO A 113 2.223 -10.555 -15.484 1.00 0.00 N ATOM 1774 CA PRO A 113 2.382 -9.138 -15.855 1.00 0.00 C ATOM 1775 C PRO A 113 1.197 -8.558 -16.617 1.00 0.00 C ATOM 1776 O PRO A 113 1.038 -7.340 -16.700 1.00 0.00 O ATOM 1777 CB PRO A 113 3.638 -9.130 -16.737 1.00 0.00 C ATOM 1778 CG PRO A 113 4.344 -10.403 -16.418 1.00 0.00 C ATOM 1779 CD PRO A 113 3.270 -11.395 -16.085 1.00 0.00 C ATOM 0 HA PRO A 113 2.455 -8.515 -14.964 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.377 -9.078 -17.794 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.266 -8.266 -16.521 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.940 -10.742 -17.265 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.028 -10.271 -15.579 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.911 -11.915 -16.973 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.625 -12.157 -15.391 1.00 0.00 H new ATOM 1787 N GLN A 114 0.374 -9.428 -17.166 1.00 0.00 N ATOM 1788 CA GLN A 114 -0.805 -8.993 -17.898 1.00 0.00 C ATOM 1789 C GLN A 114 -1.989 -8.820 -16.954 1.00 0.00 C ATOM 1790 O GLN A 114 -2.937 -8.093 -17.254 1.00 0.00 O ATOM 1791 CB GLN A 114 -1.147 -9.992 -19.003 1.00 0.00 C ATOM 1792 CG GLN A 114 -0.050 -10.140 -20.044 1.00 0.00 C ATOM 1793 CD GLN A 114 -0.492 -10.939 -21.252 1.00 0.00 C ATOM 1794 OE1 GLN A 114 -1.007 -10.381 -22.221 1.00 0.00 O ATOM 1795 NE2 GLN A 114 -0.285 -12.245 -21.215 1.00 0.00 N ATOM 0 H GLN A 114 0.497 -10.440 -17.121 1.00 0.00 H new ATOM 0 HA GLN A 114 -0.587 -8.029 -18.357 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -1.345 -10.965 -18.554 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -2.066 -9.676 -19.497 1.00 0.00 H new ATOM 0 HG2 GLN A 114 0.274 -9.151 -20.367 1.00 0.00 H new ATOM 0 HG3 GLN A 114 0.813 -10.625 -19.589 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.145 -12.670 -20.393 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.555 -12.827 -22.008 1.00 0.00 H new ATOM 1804 N LYS A 115 -1.918 -9.476 -15.803 1.00 0.00 N ATOM 1805 CA LYS A 115 -2.987 -9.430 -14.816 1.00 0.00 C ATOM 1806 C LYS A 115 -2.404 -9.454 -13.407 1.00 0.00 C ATOM 1807 O LYS A 115 -2.343 -10.507 -12.772 1.00 0.00 O ATOM 1808 CB LYS A 115 -3.953 -10.605 -14.999 1.00 0.00 C ATOM 1809 CG LYS A 115 -4.899 -10.456 -16.182 1.00 0.00 C ATOM 1810 CD LYS A 115 -5.843 -9.273 -16.001 1.00 0.00 C ATOM 1811 CE LYS A 115 -6.795 -9.126 -17.178 1.00 0.00 C ATOM 1812 NZ LYS A 115 -7.734 -7.987 -16.990 1.00 0.00 N ATOM 0 H LYS A 115 -1.122 -10.052 -15.529 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.541 -8.502 -14.960 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.375 -11.520 -15.124 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.542 -10.722 -14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.321 -10.324 -17.096 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.480 -11.371 -16.301 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.417 -9.403 -15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.262 -8.358 -15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.222 -8.977 -18.093 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.363 -10.048 -17.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.367 -7.919 -17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.299 -8.141 -16.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.194 -7.104 -16.895 1.00 0.00 H new ATOM 1826 N PRO A 116 -1.933 -8.297 -12.917 1.00 0.00 N ATOM 1827 CA PRO A 116 -1.339 -8.193 -11.582 1.00 0.00 C ATOM 1828 C PRO A 116 -2.375 -8.422 -10.483 1.00 0.00 C ATOM 1829 O PRO A 116 -3.453 -7.820 -10.497 1.00 0.00 O ATOM 1830 CB PRO A 116 -0.804 -6.757 -11.534 1.00 0.00 C ATOM 1831 CG PRO A 116 -1.611 -6.013 -12.541 1.00 0.00 C ATOM 1832 CD PRO A 116 -1.941 -7.002 -13.623 1.00 0.00 C ATOM 0 HA PRO A 116 -0.568 -8.944 -11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -0.918 -6.326 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.258 -6.723 -11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -2.518 -5.609 -12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -1.051 -5.168 -12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.912 -6.796 -14.073 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.205 -6.978 -14.427 1.00 0.00 H new ATOM 1840 N VAL A 117 -2.062 -9.294 -9.538 1.00 0.00 N ATOM 1841 CA VAL A 117 -2.992 -9.576 -8.459 1.00 0.00 C ATOM 1842 C VAL A 117 -2.775 -8.592 -7.318 1.00 0.00 C ATOM 1843 O VAL A 117 -1.683 -8.511 -6.756 1.00 0.00 O ATOM 1844 CB VAL A 117 -2.824 -11.021 -7.940 1.00 0.00 C ATOM 1845 CG1 VAL A 117 -3.850 -11.332 -6.859 1.00 0.00 C ATOM 1846 CG2 VAL A 117 -2.929 -12.016 -9.090 1.00 0.00 C ATOM 0 H VAL A 117 -1.184 -9.812 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.005 -9.468 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.832 -11.112 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.711 -12.355 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.720 -10.643 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.854 -11.221 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.808 -13.029 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.906 -11.922 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.148 -11.810 -9.822 1.00 0.00 H new ATOM 1856 N CYS A 118 -3.817 -7.837 -7.002 1.00 0.00 N ATOM 1857 CA CYS A 118 -3.779 -6.874 -5.915 1.00 0.00 C ATOM 1858 C CYS A 118 -4.804 -7.232 -4.841 1.00 0.00 C ATOM 1859 O CYS A 118 -6.005 -7.270 -5.120 1.00 0.00 O ATOM 1860 CB CYS A 118 -4.041 -5.473 -6.468 1.00 0.00 C ATOM 1861 SG CYS A 118 -5.455 -5.383 -7.598 1.00 0.00 S ATOM 0 H CYS A 118 -4.711 -7.876 -7.492 1.00 0.00 H new ATOM 0 HA CYS A 118 -2.792 -6.896 -5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.210 -4.790 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -3.149 -5.126 -6.989 1.00 0.00 H new ATOM 0 HG CYS A 118 -6.419 -6.129 -7.147 1.00 0.00 H new ATOM 1867 N LYS A 119 -4.349 -7.507 -3.625 1.00 0.00 N ATOM 1868 CA LYS A 119 -5.268 -7.781 -2.523 1.00 0.00 C ATOM 1869 C LYS A 119 -4.729 -7.196 -1.224 1.00 0.00 C ATOM 1870 O LYS A 119 -3.535 -6.909 -1.109 1.00 0.00 O ATOM 1871 CB LYS A 119 -5.516 -9.289 -2.353 1.00 0.00 C ATOM 1872 CG LYS A 119 -5.888 -10.010 -3.643 1.00 0.00 C ATOM 1873 CD LYS A 119 -6.690 -11.274 -3.386 1.00 0.00 C ATOM 1874 CE LYS A 119 -8.107 -10.945 -2.941 1.00 0.00 C ATOM 1875 NZ LYS A 119 -8.961 -12.156 -2.876 1.00 0.00 N ATOM 0 H LYS A 119 -3.361 -7.547 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.219 -7.307 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.619 -9.749 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.314 -9.435 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.466 -9.339 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.980 -10.263 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.722 -11.878 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.195 -11.873 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.078 -10.468 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.547 -10.227 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.938 -11.880 -2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.941 -12.644 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.603 -12.794 -2.137 1.00 0.00 H new ATOM 1889 N SER A 120 -5.616 -7.019 -0.255 1.00 0.00 N ATOM 1890 CA SER A 120 -5.242 -6.493 1.045 1.00 0.00 C ATOM 1891 C SER A 120 -5.165 -7.634 2.051 1.00 0.00 C ATOM 1892 O SER A 120 -6.087 -8.438 2.159 1.00 0.00 O ATOM 1893 CB SER A 120 -6.267 -5.447 1.504 1.00 0.00 C ATOM 1894 OG SER A 120 -5.876 -4.815 2.717 1.00 0.00 O ATOM 0 H SER A 120 -6.608 -7.235 -0.349 1.00 0.00 H new ATOM 0 HA SER A 120 -4.266 -6.013 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.390 -4.694 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.237 -5.925 1.641 1.00 0.00 H new ATOM 0 HG SER A 120 -6.662 -4.692 3.290 1.00 0.00 H new ATOM 1900 N PHE A 121 -4.066 -7.720 2.771 1.00 0.00 N ATOM 1901 CA PHE A 121 -3.889 -8.783 3.741 1.00 0.00 C ATOM 1902 C PHE A 121 -3.670 -8.216 5.130 1.00 0.00 C ATOM 1903 O PHE A 121 -2.847 -7.320 5.329 1.00 0.00 O ATOM 1904 CB PHE A 121 -2.711 -9.672 3.347 1.00 0.00 C ATOM 1905 CG PHE A 121 -2.867 -10.309 1.995 1.00 0.00 C ATOM 1906 CD1 PHE A 121 -3.623 -11.459 1.842 1.00 0.00 C ATOM 1907 CD2 PHE A 121 -2.258 -9.759 0.880 1.00 0.00 C ATOM 1908 CE1 PHE A 121 -3.768 -12.049 0.601 1.00 0.00 C ATOM 1909 CE2 PHE A 121 -2.400 -10.343 -0.363 1.00 0.00 C ATOM 1910 CZ PHE A 121 -3.155 -11.489 -0.502 1.00 0.00 C ATOM 0 H PHE A 121 -3.283 -7.069 2.704 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.798 -9.384 3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.798 -9.077 3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.590 -10.454 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.105 -11.900 2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -1.665 -8.862 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.360 -12.946 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -1.921 -9.903 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.267 -11.948 -1.473 1.00 0.00 H new ATOM 1920 N LEU A 122 -4.425 -8.727 6.084 1.00 0.00 N ATOM 1921 CA LEU A 122 -4.230 -8.375 7.478 1.00 0.00 C ATOM 1922 C LEU A 122 -3.321 -9.399 8.130 1.00 0.00 C ATOM 1923 O LEU A 122 -3.728 -10.533 8.375 1.00 0.00 O ATOM 1924 CB LEU A 122 -5.569 -8.340 8.220 1.00 0.00 C ATOM 1925 CG LEU A 122 -6.577 -7.309 7.715 1.00 0.00 C ATOM 1926 CD1 LEU A 122 -7.914 -7.479 8.417 1.00 0.00 C ATOM 1927 CD2 LEU A 122 -6.049 -5.901 7.930 1.00 0.00 C ATOM 0 H LEU A 122 -5.182 -9.390 5.918 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.777 -7.385 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.025 -9.328 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.375 -8.145 9.275 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.723 -7.469 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.618 -6.736 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.303 -8.478 8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -7.781 -7.345 9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.779 -5.179 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.876 -5.736 8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.113 -5.777 7.386 1.00 0.00 H new ATOM 1939 N ILE A 123 -2.091 -9.016 8.400 1.00 0.00 N ATOM 1940 CA ILE A 123 -1.174 -9.911 9.073 1.00 0.00 C ATOM 1941 C ILE A 123 -1.329 -9.744 10.573 1.00 0.00 C ATOM 1942 O ILE A 123 -0.936 -8.727 11.144 1.00 0.00 O ATOM 1943 CB ILE A 123 0.288 -9.668 8.656 1.00 0.00 C ATOM 1944 CG1 ILE A 123 0.422 -9.737 7.128 1.00 0.00 C ATOM 1945 CG2 ILE A 123 1.201 -10.687 9.319 1.00 0.00 C ATOM 1946 CD1 ILE A 123 1.830 -9.482 6.621 1.00 0.00 C ATOM 0 H ILE A 123 -1.706 -8.101 8.167 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.420 -10.932 8.782 1.00 0.00 H new ATOM 0 HB ILE A 123 0.587 -8.673 8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.097 -10.721 6.789 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.252 -9.007 6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.232 -10.504 9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 123 1.120 -10.597 10.402 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.906 -11.691 9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.843 -9.548 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.153 -8.487 6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.507 -10.228 7.038 1.00 0.00 H new ATOM 1958 N LYS A 124 -1.920 -10.744 11.195 1.00 0.00 N ATOM 1959 CA LYS A 124 -2.301 -10.658 12.588 1.00 0.00 C ATOM 1960 C LYS A 124 -1.393 -11.502 13.471 1.00 0.00 C ATOM 1961 O LYS A 124 -0.354 -12.008 13.030 1.00 0.00 O ATOM 1962 CB LYS A 124 -3.750 -11.123 12.754 1.00 0.00 C ATOM 1963 CG LYS A 124 -4.775 -10.238 12.060 1.00 0.00 C ATOM 1964 CD LYS A 124 -6.169 -10.831 12.161 1.00 0.00 C ATOM 1965 CE LYS A 124 -7.230 -9.862 11.663 1.00 0.00 C ATOM 1966 NZ LYS A 124 -7.284 -8.625 12.487 1.00 0.00 N ATOM 0 H LYS A 124 -2.148 -11.634 10.751 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.203 -9.618 12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -3.841 -12.137 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.986 -11.167 13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.766 -9.245 12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.504 -10.116 11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.216 -11.752 11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.377 -11.097 13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.022 -9.598 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -8.204 -10.351 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.189 -8.138 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.201 -8.874 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -6.500 -7.996 12.221 1.00 0.00 H new ATOM 1980 N LYS A 125 -1.812 -11.648 14.718 1.00 0.00 N ATOM 1981 CA LYS A 125 -1.098 -12.438 15.706 1.00 0.00 C ATOM 1982 C LYS A 125 -1.027 -13.889 15.262 1.00 0.00 C ATOM 1983 O LYS A 125 0.048 -14.483 15.180 1.00 0.00 O ATOM 1984 CB LYS A 125 -1.833 -12.347 17.043 1.00 0.00 C ATOM 1985 CG LYS A 125 -1.011 -12.771 18.243 1.00 0.00 C ATOM 1986 CD LYS A 125 0.116 -11.792 18.517 1.00 0.00 C ATOM 1987 CE LYS A 125 0.463 -11.757 19.992 1.00 0.00 C ATOM 1988 NZ LYS A 125 -0.693 -11.318 20.819 1.00 0.00 N ATOM 0 H LYS A 125 -2.665 -11.217 15.075 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.084 -12.053 15.813 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.165 -11.320 17.191 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.728 -12.968 16.994 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.655 -12.842 19.120 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.598 -13.765 18.070 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.996 -12.075 17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.175 -10.795 18.185 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.785 -12.747 20.314 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.303 -11.081 20.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.347 -10.798 21.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.308 -10.698 20.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.233 -12.150 21.131 1.00 0.00 H new ATOM 2002 N ASP A 126 -2.192 -14.439 14.976 1.00 0.00 N ATOM 2003 CA ASP A 126 -2.323 -15.838 14.607 1.00 0.00 C ATOM 2004 C ASP A 126 -1.872 -16.078 13.171 1.00 0.00 C ATOM 2005 O ASP A 126 -0.861 -16.741 12.934 1.00 0.00 O ATOM 2006 CB ASP A 126 -3.769 -16.298 14.794 1.00 0.00 C ATOM 2007 CG ASP A 126 -4.190 -16.311 16.250 1.00 0.00 C ATOM 2008 OD1 ASP A 126 -4.677 -15.276 16.752 1.00 0.00 O ATOM 2009 OD2 ASP A 126 -4.033 -17.361 16.905 1.00 0.00 O ATOM 0 H ASP A 126 -3.075 -13.929 14.993 1.00 0.00 H new ATOM 0 HA ASP A 126 -1.676 -16.422 15.261 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.432 -15.639 14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.886 -17.298 14.376 1.00 0.00 H new ATOM 2014 N GLY A 127 -2.618 -15.545 12.220 1.00 0.00 N ATOM 2015 CA GLY A 127 -2.282 -15.728 10.823 1.00 0.00 C ATOM 2016 C GLY A 127 -2.604 -14.506 9.997 1.00 0.00 C ATOM 2017 O GLY A 127 -2.431 -13.377 10.458 1.00 0.00 O ATOM 0 H GLY A 127 -3.454 -14.986 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.220 -15.956 10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -2.827 -16.586 10.429 1.00 0.00 H new ATOM 2021 N VAL A 128 -3.070 -14.721 8.780 1.00 0.00 N ATOM 2022 CA VAL A 128 -3.440 -13.621 7.908 1.00 0.00 C ATOM 2023 C VAL A 128 -4.938 -13.642 7.608 1.00 0.00 C ATOM 2024 O VAL A 128 -5.546 -14.707 7.471 1.00 0.00 O ATOM 2025 CB VAL A 128 -2.637 -13.644 6.586 1.00 0.00 C ATOM 2026 CG1 VAL A 128 -2.868 -14.938 5.818 1.00 0.00 C ATOM 2027 CG2 VAL A 128 -2.987 -12.441 5.722 1.00 0.00 C ATOM 0 H VAL A 128 -3.201 -15.647 8.373 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.198 -12.699 8.436 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.579 -13.592 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.289 -14.921 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.553 -15.784 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.927 -15.036 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.411 -12.477 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.051 -12.459 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.750 -11.524 6.262 1.00 0.00 H new ATOM 2037 N ASP A 129 -5.532 -12.464 7.545 1.00 0.00 N ATOM 2038 CA ASP A 129 -6.928 -12.333 7.170 1.00 0.00 C ATOM 2039 C ASP A 129 -7.030 -11.542 5.874 1.00 0.00 C ATOM 2040 O ASP A 129 -6.493 -10.440 5.769 1.00 0.00 O ATOM 2041 CB ASP A 129 -7.719 -11.655 8.286 1.00 0.00 C ATOM 2042 CG ASP A 129 -9.211 -11.731 8.059 1.00 0.00 C ATOM 2043 OD1 ASP A 129 -9.732 -12.858 7.901 1.00 0.00 O ATOM 2044 OD2 ASP A 129 -9.875 -10.677 8.066 1.00 0.00 O ATOM 0 H ASP A 129 -5.066 -11.580 7.750 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.355 -13.324 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.474 -12.125 9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.418 -10.610 8.359 1.00 0.00 H new ATOM 2049 N GLU A 130 -7.697 -12.111 4.884 1.00 0.00 N ATOM 2050 CA GLU A 130 -7.720 -11.525 3.551 1.00 0.00 C ATOM 2051 C GLU A 130 -8.864 -10.522 3.400 1.00 0.00 C ATOM 2052 O GLU A 130 -10.010 -10.806 3.754 1.00 0.00 O ATOM 2053 CB GLU A 130 -7.830 -12.628 2.495 1.00 0.00 C ATOM 2054 CG GLU A 130 -7.556 -12.150 1.079 1.00 0.00 C ATOM 2055 CD GLU A 130 -7.528 -13.284 0.075 1.00 0.00 C ATOM 2056 OE1 GLU A 130 -6.503 -13.988 -0.004 1.00 0.00 O ATOM 2057 OE2 GLU A 130 -8.526 -13.466 -0.653 1.00 0.00 O ATOM 0 H GLU A 130 -8.229 -12.976 4.976 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.786 -10.983 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.129 -13.425 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.830 -13.059 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.322 -11.431 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.601 -11.625 1.055 1.00 0.00 H new ATOM 2064 N GLU A 131 -8.537 -9.348 2.877 1.00 0.00 N ATOM 2065 CA GLU A 131 -9.516 -8.301 2.641 1.00 0.00 C ATOM 2066 C GLU A 131 -9.599 -7.997 1.147 1.00 0.00 C ATOM 2067 O GLU A 131 -8.572 -7.907 0.467 1.00 0.00 O ATOM 2068 CB GLU A 131 -9.127 -7.036 3.417 1.00 0.00 C ATOM 2069 CG GLU A 131 -10.127 -5.898 3.285 1.00 0.00 C ATOM 2070 CD GLU A 131 -11.482 -6.235 3.879 1.00 0.00 C ATOM 2071 OE1 GLU A 131 -12.168 -7.126 3.339 1.00 0.00 O ATOM 2072 OE2 GLU A 131 -11.871 -5.589 4.876 1.00 0.00 O ATOM 0 H GLU A 131 -7.586 -9.097 2.605 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.492 -8.640 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -9.017 -7.289 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.153 -6.693 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.729 -5.011 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -10.249 -5.648 2.231 1.00 0.00 H new ATOM 2079 N GLU A 132 -10.813 -7.843 0.637 1.00 0.00 N ATOM 2080 CA GLU A 132 -11.016 -7.578 -0.775 1.00 0.00 C ATOM 2081 C GLU A 132 -11.037 -6.078 -1.055 1.00 0.00 C ATOM 2082 O GLU A 132 -11.336 -5.271 -0.168 1.00 0.00 O ATOM 2083 CB GLU A 132 -12.305 -8.240 -1.253 1.00 0.00 C ATOM 2084 CG GLU A 132 -13.523 -7.921 -0.404 1.00 0.00 C ATOM 2085 CD GLU A 132 -14.748 -8.687 -0.856 1.00 0.00 C ATOM 2086 OE1 GLU A 132 -14.865 -9.885 -0.516 1.00 0.00 O ATOM 2087 OE2 GLU A 132 -15.593 -8.106 -1.569 1.00 0.00 O ATOM 0 H GLU A 132 -11.672 -7.898 1.184 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.180 -8.004 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.500 -7.929 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.161 -9.320 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.311 -8.160 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.727 -6.851 -0.451 1.00 0.00 H new ATOM 2094 N ILE A 133 -10.719 -5.714 -2.290 1.00 0.00 N ATOM 2095 CA ILE A 133 -10.579 -4.314 -2.664 1.00 0.00 C ATOM 2096 C ILE A 133 -11.711 -3.868 -3.583 1.00 0.00 C ATOM 2097 O ILE A 133 -12.012 -4.526 -4.579 1.00 0.00 O ATOM 2098 CB ILE A 133 -9.229 -4.053 -3.372 1.00 0.00 C ATOM 2099 CG1 ILE A 133 -8.065 -4.578 -2.524 1.00 0.00 C ATOM 2100 CG2 ILE A 133 -9.054 -2.564 -3.651 1.00 0.00 C ATOM 2101 CD1 ILE A 133 -6.707 -4.368 -3.158 1.00 0.00 C ATOM 0 H ILE A 133 -10.553 -6.372 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 133 -10.618 -3.738 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 133 -9.230 -4.587 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -8.083 -4.084 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -8.211 -5.643 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -8.099 -2.397 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -9.864 -2.216 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -9.074 -2.013 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -5.933 -4.764 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -6.669 -4.886 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.539 -3.302 -3.314 1.00 0.00 H new ATOM 2113 N ILE A 134 -12.333 -2.750 -3.240 1.00 0.00 N ATOM 2114 CA ILE A 134 -13.371 -2.161 -4.070 1.00 0.00 C ATOM 2115 C ILE A 134 -12.780 -1.000 -4.867 1.00 0.00 C ATOM 2116 O ILE A 134 -12.211 -0.069 -4.291 1.00 0.00 O ATOM 2117 CB ILE A 134 -14.584 -1.666 -3.234 1.00 0.00 C ATOM 2118 CG1 ILE A 134 -15.415 -2.846 -2.707 1.00 0.00 C ATOM 2119 CG2 ILE A 134 -15.471 -0.737 -4.055 1.00 0.00 C ATOM 2120 CD1 ILE A 134 -14.727 -3.684 -1.651 1.00 0.00 C ATOM 0 H ILE A 134 -12.134 -2.230 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 134 -13.739 -2.934 -4.744 1.00 0.00 H new ATOM 0 HB ILE A 134 -14.187 -1.113 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -16.347 -2.460 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -15.680 -3.489 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -16.312 -0.405 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -14.892 0.129 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -15.844 -1.269 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.389 -4.492 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -13.809 -4.105 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.487 -3.060 -0.790 1.00 0.00 H new ATOM 2132 N LEU A 135 -12.898 -1.069 -6.183 1.00 0.00 N ATOM 2133 CA LEU A 135 -12.290 -0.073 -7.053 1.00 0.00 C ATOM 2134 C LEU A 135 -13.276 1.033 -7.422 1.00 0.00 C ATOM 2135 O LEU A 135 -14.383 0.762 -7.890 1.00 0.00 O ATOM 2136 CB LEU A 135 -11.764 -0.738 -8.328 1.00 0.00 C ATOM 2137 CG LEU A 135 -10.742 -1.859 -8.114 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -10.252 -2.391 -9.452 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -9.574 -1.368 -7.276 1.00 0.00 C ATOM 0 H LEU A 135 -13.409 -1.803 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 135 -11.463 0.380 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -12.611 -1.143 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -11.310 0.029 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 135 -11.230 -2.671 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.526 -3.187 -9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.096 -2.784 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.782 -1.584 -10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.860 -2.180 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -9.084 -0.538 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -9.938 -1.034 -6.305 1.00 0.00 H new ATOM 2151 N LYS A 136 -12.860 2.275 -7.200 1.00 0.00 N ATOM 2152 CA LYS A 136 -13.629 3.440 -7.622 1.00 0.00 C ATOM 2153 C LYS A 136 -13.225 3.854 -9.034 1.00 0.00 C ATOM 2154 O LYS A 136 -12.046 3.794 -9.393 1.00 0.00 O ATOM 2155 CB LYS A 136 -13.406 4.606 -6.656 1.00 0.00 C ATOM 2156 CG LYS A 136 -14.213 4.514 -5.370 1.00 0.00 C ATOM 2157 CD LYS A 136 -15.652 4.961 -5.585 1.00 0.00 C ATOM 2158 CE LYS A 136 -16.467 4.868 -4.303 1.00 0.00 C ATOM 2159 NZ LYS A 136 -17.796 5.526 -4.436 1.00 0.00 N ATOM 0 H LYS A 136 -11.986 2.502 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.686 3.176 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -12.347 4.657 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -13.658 5.537 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -14.200 3.488 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -13.749 5.133 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -15.664 5.988 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -16.114 4.344 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -16.607 3.820 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -15.913 5.332 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -18.318 5.439 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -17.664 6.532 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -18.336 5.067 -5.197 1.00 0.00 H new ATOM 2173 N GLU A 137 -14.204 4.279 -9.825 1.00 0.00 N ATOM 2174 CA GLU A 137 -13.974 4.643 -11.222 1.00 0.00 C ATOM 2175 C GLU A 137 -13.114 5.888 -11.335 1.00 0.00 C ATOM 2176 O GLU A 137 -12.367 6.078 -12.296 1.00 0.00 O ATOM 2177 CB GLU A 137 -15.303 4.950 -11.906 1.00 0.00 C ATOM 2178 CG GLU A 137 -16.451 4.015 -11.554 1.00 0.00 C ATOM 2179 CD GLU A 137 -17.168 4.447 -10.289 1.00 0.00 C ATOM 2180 OE1 GLU A 137 -18.019 5.354 -10.362 1.00 0.00 O ATOM 2181 OE2 GLU A 137 -16.864 3.898 -9.210 1.00 0.00 O ATOM 0 H GLU A 137 -15.172 4.381 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 137 -13.470 3.800 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -15.596 5.969 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -15.152 4.922 -12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -17.161 3.985 -12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -16.068 3.003 -11.426 1.00 0.00 H new ATOM 2188 N GLU A 138 -13.238 6.716 -10.331 1.00 0.00 N ATOM 2189 CA GLU A 138 -12.553 7.996 -10.272 1.00 0.00 C ATOM 2190 C GLU A 138 -12.344 8.379 -8.806 1.00 0.00 C ATOM 2191 O GLU A 138 -12.785 7.652 -7.913 1.00 0.00 O ATOM 2192 CB GLU A 138 -13.404 9.045 -10.997 1.00 0.00 C ATOM 2193 CG GLU A 138 -12.642 10.272 -11.464 1.00 0.00 C ATOM 2194 CD GLU A 138 -13.532 11.240 -12.214 1.00 0.00 C ATOM 2195 OE1 GLU A 138 -13.761 11.028 -13.424 1.00 0.00 O ATOM 2196 OE2 GLU A 138 -14.023 12.206 -11.590 1.00 0.00 O ATOM 0 H GLU A 138 -13.823 6.525 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 138 -11.579 7.937 -10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -13.874 8.576 -11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -14.206 9.364 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -12.203 10.776 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -11.818 9.964 -12.107 1.00 0.00 H new ATOM 2203 N LEU A 139 -11.667 9.498 -8.553 1.00 0.00 N ATOM 2204 CA LEU A 139 -11.454 9.962 -7.186 1.00 0.00 C ATOM 2205 C LEU A 139 -12.774 10.352 -6.534 1.00 0.00 C ATOM 2206 O LEU A 139 -13.688 10.850 -7.198 1.00 0.00 O ATOM 2207 CB LEU A 139 -10.483 11.144 -7.148 1.00 0.00 C ATOM 2208 CG LEU A 139 -9.026 10.807 -7.470 1.00 0.00 C ATOM 2209 CD1 LEU A 139 -8.166 12.056 -7.392 1.00 0.00 C ATOM 2210 CD2 LEU A 139 -8.498 9.744 -6.519 1.00 0.00 C ATOM 0 H LEU A 139 -11.260 10.096 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 139 -11.015 9.137 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -10.828 11.899 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -10.523 11.594 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 139 -8.981 10.413 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.132 11.801 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.528 12.792 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -8.220 12.473 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -7.460 9.519 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.556 10.111 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.098 8.839 -6.615 1.00 0.00 H new