USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 653 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 46 THR OG1 : rot 150:sc= 1.47 USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -0.318 F(o=-2.1,f=-0.34) USER MOD Set 1.3: A 71 MET CE :methyl -129:sc= -1.49 (180deg=-4.81!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0177 (180deg=-0.218) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -3.13 (180deg=-3.92) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 0.0933 (180deg=0.0081) USER MOD Single : A 38 SER OG : rot 143:sc= -1.96 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.839 F(o=-4.2!,f=-0.84) USER MOD Single : A 52 MET CE :methyl 156:sc= -2.41 (180deg=-5.76!) USER MOD Single : A 53 MET CE :methyl -165:sc= -2.67! (180deg=-3.62!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -56:sc= -0.395 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0969 F(o=-1.2,f=-0.097) USER MOD Single : A 72 SER OG : rot 180:sc= -1.77 USER MOD Single : A 74 ASN : amide:sc= -6.78! C(o=-6.8!,f=-11!) USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.191 USER MOD Single : A 77 SER OG : rot 13:sc= 0.198! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 69:sc= -3.31 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.235 F(o=-1.9,f=-0.24) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.163 F(o=-1.2,f=-0.16) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.596 F(o=-2.1,f=-0.6) USER MOD Single : A 97 SER OG : rot 0:sc= 1.19 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= 1.07 (180deg=-0.579!) USER MOD Single : A 102 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.018 -5.182 -10.537 1.00 0.00 N ATOM 17 CA PHE A 18 0.061 -4.270 -10.176 1.00 0.00 C ATOM 18 C PHE A 18 -0.369 -2.823 -10.394 1.00 0.00 C ATOM 19 O PHE A 18 -1.175 -2.536 -11.280 1.00 0.00 O ATOM 20 CB PHE A 18 1.314 -4.584 -10.993 1.00 0.00 C ATOM 21 CG PHE A 18 2.305 -5.441 -10.261 1.00 0.00 C ATOM 22 CD1 PHE A 18 3.165 -4.885 -9.327 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.377 -6.804 -10.505 1.00 0.00 C ATOM 24 CE1 PHE A 18 4.078 -5.671 -8.651 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.288 -7.595 -9.831 1.00 0.00 C ATOM 26 CZ PHE A 18 4.140 -7.027 -8.904 1.00 0.00 C ATOM 0 HA PHE A 18 0.292 -4.405 -9.119 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.021 -5.087 -11.915 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.795 -3.649 -11.279 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.121 -3.825 -9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.714 -7.252 -11.230 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.742 -5.225 -7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.334 -8.656 -10.029 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.854 -7.643 -8.378 1.00 0.00 H new ATOM 36 N LYS A 19 0.155 -1.913 -9.576 1.00 0.00 N ATOM 37 CA LYS A 19 -0.206 -0.505 -9.686 1.00 0.00 C ATOM 38 C LYS A 19 0.975 0.422 -9.398 1.00 0.00 C ATOM 39 O LYS A 19 1.512 0.433 -8.290 1.00 0.00 O ATOM 40 CB LYS A 19 -1.350 -0.191 -8.718 1.00 0.00 C ATOM 41 CG LYS A 19 -2.578 0.391 -9.394 1.00 0.00 C ATOM 42 CD LYS A 19 -3.822 0.214 -8.538 1.00 0.00 C ATOM 43 CE LYS A 19 -5.089 0.463 -9.342 1.00 0.00 C ATOM 44 NZ LYS A 19 -5.339 -0.616 -10.336 1.00 0.00 N ATOM 0 H LYS A 19 0.825 -2.124 -8.836 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.519 -0.328 -10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.633 -1.104 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.994 0.511 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.418 1.451 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.727 -0.093 -10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.842 -0.796 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.785 0.901 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.940 0.536 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.009 1.420 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.328 -0.572 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.707 -0.490 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.157 -1.541 -9.897 1.00 0.00 H new ATOM 58 N ASP A 20 1.351 1.226 -10.393 1.00 0.00 N ATOM 59 CA ASP A 20 2.439 2.188 -10.234 1.00 0.00 C ATOM 60 C ASP A 20 1.931 3.386 -9.446 1.00 0.00 C ATOM 61 O ASP A 20 1.637 4.439 -10.011 1.00 0.00 O ATOM 62 CB ASP A 20 2.967 2.641 -11.599 1.00 0.00 C ATOM 63 CG ASP A 20 3.094 1.496 -12.584 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.075 0.827 -12.852 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.216 1.267 -13.087 1.00 0.00 O ATOM 0 H ASP A 20 0.918 1.229 -11.316 1.00 0.00 H new ATOM 0 HA ASP A 20 3.259 1.713 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.298 3.397 -12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.941 3.114 -11.469 1.00 0.00 H new ATOM 70 N VAL A 21 1.803 3.203 -8.137 1.00 0.00 N ATOM 71 CA VAL A 21 1.299 4.254 -7.266 1.00 0.00 C ATOM 72 C VAL A 21 2.261 5.424 -7.180 1.00 0.00 C ATOM 73 O VAL A 21 3.444 5.254 -6.888 1.00 0.00 O ATOM 74 CB VAL A 21 1.028 3.729 -5.845 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.423 4.821 -4.971 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.119 2.511 -5.892 1.00 0.00 C ATOM 0 H VAL A 21 2.042 2.335 -7.657 1.00 0.00 H new ATOM 0 HA VAL A 21 0.363 4.594 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 21 1.979 3.431 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.240 4.427 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.114 5.662 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.518 5.156 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.062 2.153 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.829 2.782 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.596 1.723 -6.475 1.00 0.00 H new ATOM 86 N PHE A 22 1.734 6.618 -7.409 1.00 0.00 N ATOM 87 CA PHE A 22 2.534 7.823 -7.331 1.00 0.00 C ATOM 88 C PHE A 22 1.994 8.732 -6.241 1.00 0.00 C ATOM 89 O PHE A 22 0.976 9.399 -6.424 1.00 0.00 O ATOM 90 CB PHE A 22 2.538 8.568 -8.667 1.00 0.00 C ATOM 91 CG PHE A 22 3.863 9.195 -9.009 1.00 0.00 C ATOM 92 CD1 PHE A 22 4.861 9.331 -8.049 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.119 9.636 -10.297 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.077 9.887 -8.372 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.336 10.200 -10.621 1.00 0.00 C ATOM 96 CZ PHE A 22 6.316 10.321 -9.657 1.00 0.00 C ATOM 0 H PHE A 22 0.755 6.774 -7.650 1.00 0.00 H new ATOM 0 HA PHE A 22 3.558 7.536 -7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.259 7.874 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.775 9.346 -8.641 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.679 8.996 -7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.357 9.537 -11.056 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.844 9.983 -7.618 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.521 10.546 -11.627 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.271 10.756 -9.910 1.00 0.00 H new ATOM 106 N ILE A 23 2.678 8.761 -5.106 1.00 0.00 N ATOM 107 CA ILE A 23 2.256 9.595 -3.998 1.00 0.00 C ATOM 108 C ILE A 23 3.070 10.875 -3.955 1.00 0.00 C ATOM 109 O ILE A 23 4.220 10.879 -3.520 1.00 0.00 O ATOM 110 CB ILE A 23 2.388 8.858 -2.653 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.819 7.441 -2.773 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.690 9.635 -1.547 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.306 7.389 -2.862 1.00 0.00 C ATOM 0 H ILE A 23 3.524 8.218 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 23 1.205 9.837 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 23 3.444 8.784 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.241 6.965 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.142 6.857 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.794 9.098 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.142 10.622 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.633 9.742 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.018 6.352 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.127 7.834 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.026 7.944 -3.739 1.00 0.00 H new ATOM 125 N GLU A 24 2.462 11.957 -4.411 1.00 0.00 N ATOM 126 CA GLU A 24 3.120 13.253 -4.432 1.00 0.00 C ATOM 127 C GLU A 24 2.646 14.101 -3.259 1.00 0.00 C ATOM 128 O GLU A 24 1.473 14.460 -3.175 1.00 0.00 O ATOM 129 CB GLU A 24 2.842 13.970 -5.757 1.00 0.00 C ATOM 130 CG GLU A 24 2.918 13.057 -6.971 1.00 0.00 C ATOM 131 CD GLU A 24 2.586 13.779 -8.262 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.764 15.013 -8.315 1.00 0.00 O ATOM 133 OE2 GLU A 24 2.147 13.108 -9.221 1.00 0.00 O ATOM 0 H GLU A 24 1.509 11.963 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 24 4.196 13.101 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.851 14.423 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.559 14.782 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.920 12.635 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.230 12.223 -6.838 1.00 0.00 H new ATOM 140 N LYS A 25 3.561 14.401 -2.345 1.00 0.00 N ATOM 141 CA LYS A 25 3.228 15.189 -1.164 1.00 0.00 C ATOM 142 C LYS A 25 4.231 16.318 -0.955 1.00 0.00 C ATOM 143 O LYS A 25 5.050 16.606 -1.827 1.00 0.00 O ATOM 144 CB LYS A 25 3.185 14.284 0.070 1.00 0.00 C ATOM 145 CG LYS A 25 4.502 13.575 0.355 1.00 0.00 C ATOM 146 CD LYS A 25 4.279 12.143 0.811 1.00 0.00 C ATOM 147 CE LYS A 25 5.503 11.280 0.546 1.00 0.00 C ATOM 148 NZ LYS A 25 5.298 9.872 0.986 1.00 0.00 N ATOM 0 H LYS A 25 4.538 14.111 -2.398 1.00 0.00 H new ATOM 0 HA LYS A 25 2.246 15.636 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.909 14.882 0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.402 13.537 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.120 13.579 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.051 14.121 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.047 12.131 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.417 11.724 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.735 11.297 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.363 11.701 1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.053 9.273 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.321 9.826 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.376 9.533 0.645 1.00 0.00 H new ATOM 162 N GLN A 26 4.163 16.952 0.211 1.00 0.00 N ATOM 163 CA GLN A 26 5.066 18.045 0.541 1.00 0.00 C ATOM 164 C GLN A 26 6.193 17.548 1.439 1.00 0.00 C ATOM 165 O GLN A 26 5.963 16.777 2.371 1.00 0.00 O ATOM 166 CB GLN A 26 4.306 19.178 1.233 1.00 0.00 C ATOM 167 CG GLN A 26 3.910 20.307 0.295 1.00 0.00 C ATOM 168 CD GLN A 26 2.779 19.920 -0.637 1.00 0.00 C ATOM 169 OE1 GLN A 26 2.992 19.249 -1.646 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.564 20.342 -0.303 1.00 0.00 N ATOM 0 H GLN A 26 3.490 16.726 0.943 1.00 0.00 H new ATOM 0 HA GLN A 26 5.495 18.427 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.408 18.771 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.924 19.583 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.611 21.175 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.777 20.605 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.431 20.896 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.764 20.111 -0.892 1.00 0.00 H new ATOM 179 N LYS A 27 7.414 17.989 1.153 1.00 0.00 N ATOM 180 CA LYS A 27 8.577 17.585 1.935 1.00 0.00 C ATOM 181 C LYS A 27 8.321 17.778 3.425 1.00 0.00 C ATOM 182 O LYS A 27 7.943 18.860 3.870 1.00 0.00 O ATOM 183 CB LYS A 27 9.806 18.371 1.497 1.00 0.00 C ATOM 184 CG LYS A 27 10.372 17.890 0.174 1.00 0.00 C ATOM 185 CD LYS A 27 11.830 17.482 0.306 1.00 0.00 C ATOM 186 CE LYS A 27 12.279 16.629 -0.870 1.00 0.00 C ATOM 187 NZ LYS A 27 13.715 16.251 -0.766 1.00 0.00 N ATOM 0 H LYS A 27 7.624 18.627 0.385 1.00 0.00 H new ATOM 0 HA LYS A 27 8.760 16.525 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.546 19.426 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.575 18.292 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.788 17.043 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.281 18.681 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.454 18.373 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.971 16.928 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.669 15.727 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.114 17.175 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.093 16.059 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.249 17.031 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.808 15.399 -0.177 1.00 0.00 H new ATOM 201 N GLY A 28 8.508 16.705 4.182 1.00 0.00 N ATOM 202 CA GLY A 28 8.270 16.748 5.609 1.00 0.00 C ATOM 203 C GLY A 28 6.952 16.092 5.965 1.00 0.00 C ATOM 204 O GLY A 28 6.459 16.233 7.085 1.00 0.00 O ATOM 0 H GLY A 28 8.822 15.801 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.083 16.244 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.267 17.784 5.949 1.00 0.00 H new ATOM 208 N GLU A 29 6.377 15.373 5.000 1.00 0.00 N ATOM 209 CA GLU A 29 5.102 14.691 5.209 1.00 0.00 C ATOM 210 C GLU A 29 5.200 13.208 4.861 1.00 0.00 C ATOM 211 O GLU A 29 5.765 12.839 3.831 1.00 0.00 O ATOM 212 CB GLU A 29 4.007 15.349 4.366 1.00 0.00 C ATOM 213 CG GLU A 29 3.884 16.848 4.590 1.00 0.00 C ATOM 214 CD GLU A 29 3.333 17.190 5.960 1.00 0.00 C ATOM 215 OE1 GLU A 29 4.030 16.929 6.963 1.00 0.00 O ATOM 216 OE2 GLU A 29 2.203 17.720 6.030 1.00 0.00 O ATOM 0 H GLU A 29 6.774 15.249 4.069 1.00 0.00 H new ATOM 0 HA GLU A 29 4.848 14.777 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.211 15.163 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.052 14.876 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.864 17.311 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.235 17.274 3.825 1.00 0.00 H new ATOM 223 N ILE A 30 4.645 12.360 5.724 1.00 0.00 N ATOM 224 CA ILE A 30 4.667 10.924 5.506 1.00 0.00 C ATOM 225 C ILE A 30 3.584 10.498 4.518 1.00 0.00 C ATOM 226 O ILE A 30 2.534 11.131 4.424 1.00 0.00 O ATOM 227 CB ILE A 30 4.495 10.154 6.830 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.077 10.325 7.369 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.517 10.624 7.853 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.387 9.013 7.690 1.00 0.00 C ATOM 0 H ILE A 30 4.174 12.648 6.582 1.00 0.00 H new ATOM 0 HA ILE A 30 5.642 10.679 5.084 1.00 0.00 H new ATOM 0 HB ILE A 30 4.662 9.094 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.111 10.938 8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.482 10.869 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.382 10.071 8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.522 10.450 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.380 11.689 8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.384 9.212 8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.321 8.406 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.960 8.476 8.446 1.00 0.00 H new ATOM 242 N LEU A 31 3.853 9.424 3.782 1.00 0.00 N ATOM 243 CA LEU A 31 2.907 8.909 2.795 1.00 0.00 C ATOM 244 C LEU A 31 1.501 8.794 3.381 1.00 0.00 C ATOM 245 O LEU A 31 0.538 9.301 2.808 1.00 0.00 O ATOM 246 CB LEU A 31 3.373 7.544 2.290 1.00 0.00 C ATOM 247 CG LEU A 31 3.048 7.248 0.825 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.179 6.468 0.175 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.741 6.481 0.717 1.00 0.00 C ATOM 0 H LEU A 31 4.720 8.892 3.850 1.00 0.00 H new ATOM 0 HA LEU A 31 2.870 9.612 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.452 7.472 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.920 6.771 2.910 1.00 0.00 H new ATOM 0 HG LEU A 31 2.937 8.195 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.930 6.266 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.098 7.052 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.321 5.525 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.524 6.278 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.826 5.539 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.934 7.075 1.146 1.00 0.00 H new ATOM 261 N GLY A 32 1.394 8.126 4.523 1.00 0.00 N ATOM 262 CA GLY A 32 0.102 7.961 5.164 1.00 0.00 C ATOM 263 C GLY A 32 -0.448 6.555 5.027 1.00 0.00 C ATOM 264 O GLY A 32 -1.645 6.333 5.204 1.00 0.00 O ATOM 0 H GLY A 32 2.176 7.696 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.192 8.209 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.606 8.667 4.730 1.00 0.00 H new ATOM 268 N VAL A 33 0.423 5.599 4.716 1.00 0.00 N ATOM 269 CA VAL A 33 0.004 4.209 4.568 1.00 0.00 C ATOM 270 C VAL A 33 0.583 3.342 5.674 1.00 0.00 C ATOM 271 O VAL A 33 1.785 3.363 5.931 1.00 0.00 O ATOM 272 CB VAL A 33 0.418 3.607 3.208 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.645 3.878 2.156 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.772 4.141 2.767 1.00 0.00 C ATOM 0 H VAL A 33 1.418 5.760 4.562 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.084 4.218 4.628 1.00 0.00 H new ATOM 0 HB VAL A 33 0.509 2.527 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.334 3.446 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.588 3.429 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.776 4.954 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.041 3.702 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.721 5.225 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.526 3.879 3.510 1.00 0.00 H new ATOM 284 N VAL A 34 -0.283 2.574 6.315 1.00 0.00 N ATOM 285 CA VAL A 34 0.136 1.686 7.385 1.00 0.00 C ATOM 286 C VAL A 34 0.064 0.236 6.921 1.00 0.00 C ATOM 287 O VAL A 34 -1.007 -0.374 6.908 1.00 0.00 O ATOM 288 CB VAL A 34 -0.735 1.887 8.639 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.311 0.940 9.751 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.654 3.335 9.104 1.00 0.00 C ATOM 0 H VAL A 34 -1.282 2.548 6.112 1.00 0.00 H new ATOM 0 HA VAL A 34 1.167 1.926 7.645 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.770 1.659 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.941 1.101 10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.418 -0.090 9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.730 1.130 10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.273 3.467 9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.380 3.583 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.011 3.992 8.311 1.00 0.00 H new ATOM 300 N ILE A 35 1.211 -0.305 6.522 1.00 0.00 N ATOM 301 CA ILE A 35 1.268 -1.676 6.040 1.00 0.00 C ATOM 302 C ILE A 35 1.721 -2.643 7.128 1.00 0.00 C ATOM 303 O ILE A 35 2.390 -2.257 8.085 1.00 0.00 O ATOM 304 CB ILE A 35 2.199 -1.833 4.818 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.459 -0.972 4.952 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.452 -1.479 3.540 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.337 -1.341 6.128 1.00 0.00 C ATOM 0 H ILE A 35 2.107 0.183 6.524 1.00 0.00 H new ATOM 0 HA ILE A 35 0.249 -1.921 5.740 1.00 0.00 H new ATOM 0 HB ILE A 35 2.514 -2.875 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.043 -1.057 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.164 0.073 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.119 -1.593 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.595 -2.143 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.106 -0.447 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.207 -0.685 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.772 -1.229 7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.665 -2.376 6.027 1.00 0.00 H new ATOM 319 N VAL A 36 1.350 -3.908 6.961 1.00 0.00 N ATOM 320 CA VAL A 36 1.713 -4.955 7.907 1.00 0.00 C ATOM 321 C VAL A 36 2.045 -6.248 7.168 1.00 0.00 C ATOM 322 O VAL A 36 1.582 -6.466 6.051 1.00 0.00 O ATOM 323 CB VAL A 36 0.577 -5.223 8.914 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.323 -3.992 9.771 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.692 -5.650 8.190 1.00 0.00 C ATOM 0 H VAL A 36 0.793 -4.234 6.171 1.00 0.00 H new ATOM 0 HA VAL A 36 2.590 -4.610 8.455 1.00 0.00 H new ATOM 0 HB VAL A 36 0.883 -6.038 9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.482 -4.199 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.230 -3.737 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.039 -3.156 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.482 -5.834 8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.005 -4.860 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.499 -6.562 7.625 1.00 0.00 H new ATOM 335 N GLU A 37 2.851 -7.100 7.790 1.00 0.00 N ATOM 336 CA GLU A 37 3.240 -8.366 7.174 1.00 0.00 C ATOM 337 C GLU A 37 2.014 -9.174 6.751 1.00 0.00 C ATOM 338 O GLU A 37 1.182 -9.538 7.582 1.00 0.00 O ATOM 339 CB GLU A 37 4.097 -9.186 8.140 1.00 0.00 C ATOM 340 CG GLU A 37 3.445 -9.403 9.497 1.00 0.00 C ATOM 341 CD GLU A 37 4.368 -10.091 10.483 1.00 0.00 C ATOM 342 OE1 GLU A 37 4.889 -11.177 10.150 1.00 0.00 O ATOM 343 OE2 GLU A 37 4.570 -9.545 11.588 1.00 0.00 O ATOM 0 H GLU A 37 3.247 -6.940 8.716 1.00 0.00 H new ATOM 0 HA GLU A 37 3.824 -8.138 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.311 -10.155 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.053 -8.682 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.135 -8.441 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.543 -10.001 9.371 1.00 0.00 H new ATOM 350 N SER A 38 1.909 -9.453 5.452 1.00 0.00 N ATOM 351 CA SER A 38 0.786 -10.220 4.920 1.00 0.00 C ATOM 352 C SER A 38 0.693 -11.584 5.600 1.00 0.00 C ATOM 353 O SER A 38 1.700 -12.268 5.783 1.00 0.00 O ATOM 354 CB SER A 38 0.924 -10.389 3.405 1.00 0.00 C ATOM 355 OG SER A 38 1.592 -11.595 3.078 1.00 0.00 O ATOM 0 H SER A 38 2.588 -9.159 4.750 1.00 0.00 H new ATOM 0 HA SER A 38 -0.132 -9.670 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.064 -10.382 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.474 -9.543 2.992 1.00 0.00 H new ATOM 0 HG SER A 38 1.192 -11.982 2.271 1.00 0.00 H new ATOM 448 N PRO A 45 4.238 -12.736 0.187 1.00 0.00 N ATOM 449 CA PRO A 45 4.019 -11.876 1.357 1.00 0.00 C ATOM 450 C PRO A 45 5.007 -10.716 1.414 1.00 0.00 C ATOM 451 O PRO A 45 6.216 -10.912 1.300 1.00 0.00 O ATOM 452 CB PRO A 45 4.235 -12.821 2.543 1.00 0.00 C ATOM 453 CG PRO A 45 3.964 -14.180 2.002 1.00 0.00 C ATOM 454 CD PRO A 45 4.412 -14.150 0.567 1.00 0.00 C ATOM 0 HA PRO A 45 3.033 -11.412 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.251 -12.745 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.562 -12.582 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.507 -14.940 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.904 -14.425 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.449 -14.470 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.810 -14.811 -0.056 1.00 0.00 H new ATOM 462 N THR A 46 4.485 -9.505 1.591 1.00 0.00 N ATOM 463 CA THR A 46 5.326 -8.316 1.661 1.00 0.00 C ATOM 464 C THR A 46 4.788 -7.318 2.682 1.00 0.00 C ATOM 465 O THR A 46 5.342 -7.172 3.771 1.00 0.00 O ATOM 466 CB THR A 46 5.426 -7.651 0.288 1.00 0.00 C ATOM 467 OG1 THR A 46 4.142 -7.285 -0.186 1.00 0.00 O ATOM 468 CG2 THR A 46 6.068 -8.533 -0.759 1.00 0.00 C ATOM 0 H THR A 46 3.486 -9.323 1.688 1.00 0.00 H new ATOM 0 HA THR A 46 6.320 -8.631 1.979 1.00 0.00 H new ATOM 0 HB THR A 46 6.057 -6.775 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.218 -6.495 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.108 -8.000 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.079 -8.792 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.480 -9.443 -0.878 1.00 0.00 H new ATOM 476 N VAL A 47 3.712 -6.625 2.320 1.00 0.00 N ATOM 477 CA VAL A 47 3.114 -5.632 3.209 1.00 0.00 C ATOM 478 C VAL A 47 1.668 -5.332 2.819 1.00 0.00 C ATOM 479 O VAL A 47 1.347 -5.191 1.640 1.00 0.00 O ATOM 480 CB VAL A 47 3.920 -4.314 3.212 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.717 -4.186 4.499 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.840 -4.229 2.001 1.00 0.00 C ATOM 0 H VAL A 47 3.238 -6.731 1.423 1.00 0.00 H new ATOM 0 HA VAL A 47 3.132 -6.062 4.211 1.00 0.00 H new ATOM 0 HB VAL A 47 3.215 -3.485 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.280 -3.253 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.036 -4.188 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.407 -5.025 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.394 -3.291 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.540 -5.065 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.245 -4.271 1.089 1.00 0.00 H new ATOM 492 N ILE A 48 0.802 -5.235 3.826 1.00 0.00 N ATOM 493 CA ILE A 48 -0.613 -4.948 3.601 1.00 0.00 C ATOM 494 C ILE A 48 -1.000 -3.598 4.179 1.00 0.00 C ATOM 495 O ILE A 48 -0.918 -3.401 5.388 1.00 0.00 O ATOM 496 CB ILE A 48 -1.554 -5.989 4.257 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.834 -7.290 4.616 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.740 -6.269 3.359 1.00 0.00 C ATOM 499 CD1 ILE A 48 -1.104 -7.727 6.041 1.00 0.00 C ATOM 0 H ILE A 48 1.056 -5.351 4.807 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.733 -4.971 2.518 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.906 -5.554 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.150 -8.077 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.239 -7.158 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.391 -7.002 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.295 -5.346 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.389 -6.661 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.570 -8.655 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.763 -6.954 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.174 -7.887 6.176 1.00 0.00 H new ATOM 511 N ILE A 49 -1.468 -2.689 3.328 1.00 0.00 N ATOM 512 CA ILE A 49 -1.912 -1.383 3.798 1.00 0.00 C ATOM 513 C ILE A 49 -3.119 -1.568 4.708 1.00 0.00 C ATOM 514 O ILE A 49 -4.255 -1.286 4.325 1.00 0.00 O ATOM 515 CB ILE A 49 -2.295 -0.454 2.630 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.085 -0.200 1.731 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.860 0.862 3.151 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.460 0.224 0.328 1.00 0.00 C ATOM 0 H ILE A 49 -1.549 -2.831 2.321 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.087 -0.919 4.339 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.067 -0.946 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.462 0.572 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.482 -1.107 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.124 1.503 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.749 0.665 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.112 1.361 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.555 0.388 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.058 -0.557 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.037 1.148 0.369 1.00 0.00 H new ATOM 530 N ALA A 50 -2.862 -2.068 5.910 1.00 0.00 N ATOM 531 CA ALA A 50 -3.917 -2.324 6.877 1.00 0.00 C ATOM 532 C ALA A 50 -4.802 -1.097 7.069 1.00 0.00 C ATOM 533 O ALA A 50 -5.972 -1.212 7.431 1.00 0.00 O ATOM 534 CB ALA A 50 -3.313 -2.771 8.196 1.00 0.00 C ATOM 0 H ALA A 50 -1.926 -2.305 6.238 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.550 -3.124 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.110 -2.961 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.738 -3.684 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.657 -1.989 8.579 1.00 0.00 H new ATOM 540 N ASN A 51 -4.236 0.078 6.812 1.00 0.00 N ATOM 541 CA ASN A 51 -4.972 1.324 6.944 1.00 0.00 C ATOM 542 C ASN A 51 -4.140 2.499 6.439 1.00 0.00 C ATOM 543 O ASN A 51 -2.909 2.474 6.490 1.00 0.00 O ATOM 544 CB ASN A 51 -5.397 1.549 8.396 1.00 0.00 C ATOM 545 CG ASN A 51 -4.217 1.690 9.332 1.00 0.00 C ATOM 546 OD1 ASN A 51 -3.643 2.883 9.374 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -3.827 0.739 10.009 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.268 0.190 6.511 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.871 1.255 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.013 2.446 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.018 0.715 8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.301 -0.162 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.030 0.852 10.636 1.00 0.00 H new ATOM 554 N MET A 52 -4.826 3.517 5.936 1.00 0.00 N ATOM 555 CA MET A 52 -4.170 4.702 5.397 1.00 0.00 C ATOM 556 C MET A 52 -4.772 5.973 5.998 1.00 0.00 C ATOM 557 O MET A 52 -5.821 5.929 6.641 1.00 0.00 O ATOM 558 CB MET A 52 -4.289 4.693 3.868 1.00 0.00 C ATOM 559 CG MET A 52 -4.653 6.029 3.236 1.00 0.00 C ATOM 560 SD MET A 52 -5.036 5.876 1.481 1.00 0.00 S ATOM 561 CE MET A 52 -5.913 4.316 1.476 1.00 0.00 C ATOM 0 H MET A 52 -5.845 3.546 5.890 1.00 0.00 H new ATOM 0 HA MET A 52 -3.114 4.688 5.666 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.341 4.358 3.448 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.042 3.958 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.512 6.453 3.757 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.826 6.727 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.570 4.271 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.196 3.496 1.432 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.508 4.230 2.385 1.00 0.00 H new ATOM 571 N MET A 53 -4.101 7.101 5.787 1.00 0.00 N ATOM 572 CA MET A 53 -4.572 8.378 6.310 1.00 0.00 C ATOM 573 C MET A 53 -5.621 8.991 5.388 1.00 0.00 C ATOM 574 O MET A 53 -5.404 9.121 4.183 1.00 0.00 O ATOM 575 CB MET A 53 -3.399 9.346 6.482 1.00 0.00 C ATOM 576 CG MET A 53 -3.481 10.181 7.749 1.00 0.00 C ATOM 577 SD MET A 53 -1.863 10.494 8.480 1.00 0.00 S ATOM 578 CE MET A 53 -1.255 8.822 8.685 1.00 0.00 C ATOM 0 H MET A 53 -3.231 7.156 5.258 1.00 0.00 H new ATOM 0 HA MET A 53 -5.031 8.197 7.282 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.468 8.778 6.490 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.359 10.012 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.963 11.132 7.522 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.111 9.670 8.476 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.397 8.827 9.358 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.043 8.197 9.106 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.954 8.423 7.716 1.00 0.00 H new ATOM 588 N HIS A 54 -6.761 9.367 5.961 1.00 0.00 N ATOM 589 CA HIS A 54 -7.842 9.966 5.190 1.00 0.00 C ATOM 590 C HIS A 54 -7.421 11.319 4.628 1.00 0.00 C ATOM 591 O HIS A 54 -7.347 12.309 5.355 1.00 0.00 O ATOM 592 CB HIS A 54 -9.090 10.129 6.060 1.00 0.00 C ATOM 593 CG HIS A 54 -10.370 10.077 5.286 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.401 9.213 5.593 1.00 0.00 N ATOM 595 CD2 HIS A 54 -10.787 10.788 4.212 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.395 9.396 4.741 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.047 10.347 3.893 1.00 0.00 N ATOM 0 H HIS A 54 -6.958 9.267 6.957 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.073 9.301 4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.100 9.344 6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.033 11.081 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.231 11.560 3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.332 8.859 4.739 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.621 10.697 3.126 1.00 0.00 H new ATOM 606 N GLY A 55 -7.144 11.354 3.328 1.00 0.00 N ATOM 607 CA GLY A 55 -6.732 12.590 2.691 1.00 0.00 C ATOM 608 C GLY A 55 -5.226 12.692 2.541 1.00 0.00 C ATOM 609 O GLY A 55 -4.729 13.449 1.706 1.00 0.00 O ATOM 0 H GLY A 55 -7.198 10.548 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.197 12.661 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.094 13.435 3.277 1.00 0.00 H new ATOM 613 N GLY A 56 -4.496 11.928 3.350 1.00 0.00 N ATOM 614 CA GLY A 56 -3.046 11.951 3.286 1.00 0.00 C ATOM 615 C GLY A 56 -2.519 11.634 1.898 1.00 0.00 C ATOM 616 O GLY A 56 -3.293 11.307 1.000 1.00 0.00 O ATOM 0 H GLY A 56 -4.884 11.294 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.688 12.934 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.643 11.230 3.997 1.00 0.00 H new ATOM 620 N PRO A 57 -1.195 11.728 1.690 1.00 0.00 N ATOM 621 CA PRO A 57 -0.575 11.448 0.390 1.00 0.00 C ATOM 622 C PRO A 57 -1.054 10.135 -0.221 1.00 0.00 C ATOM 623 O PRO A 57 -1.374 10.075 -1.408 1.00 0.00 O ATOM 624 CB PRO A 57 0.915 11.379 0.722 1.00 0.00 C ATOM 625 CG PRO A 57 1.073 12.264 1.908 1.00 0.00 C ATOM 626 CD PRO A 57 -0.196 12.117 2.704 1.00 0.00 C ATOM 0 HA PRO A 57 -0.827 12.204 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.225 10.358 0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.524 11.723 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.941 11.973 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.226 13.300 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.097 11.359 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.469 13.048 3.200 1.00 0.00 H new ATOM 634 N ALA A 58 -1.101 9.084 0.592 1.00 0.00 N ATOM 635 CA ALA A 58 -1.541 7.779 0.124 1.00 0.00 C ATOM 636 C ALA A 58 -2.956 7.846 -0.438 1.00 0.00 C ATOM 637 O ALA A 58 -3.230 7.330 -1.522 1.00 0.00 O ATOM 638 CB ALA A 58 -1.460 6.752 1.244 1.00 0.00 C ATOM 0 H ALA A 58 -0.839 9.113 1.577 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.873 7.468 -0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.793 5.783 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.430 6.673 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.099 7.064 2.070 1.00 0.00 H new ATOM 644 N GLU A 59 -3.853 8.490 0.302 1.00 0.00 N ATOM 645 CA GLU A 59 -5.236 8.627 -0.126 1.00 0.00 C ATOM 646 C GLU A 59 -5.357 9.667 -1.231 1.00 0.00 C ATOM 647 O GLU A 59 -6.230 9.580 -2.094 1.00 0.00 O ATOM 648 CB GLU A 59 -6.118 9.015 1.060 1.00 0.00 C ATOM 649 CG GLU A 59 -7.597 9.022 0.730 1.00 0.00 C ATOM 650 CD GLU A 59 -8.363 7.929 1.449 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.814 8.172 2.587 1.00 0.00 O ATOM 652 OE2 GLU A 59 -8.511 6.831 0.872 1.00 0.00 O ATOM 0 H GLU A 59 -3.644 8.925 1.201 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.571 7.667 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.939 8.319 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.827 10.005 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.020 9.991 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.725 8.902 -0.346 1.00 0.00 H new ATOM 659 N LYS A 60 -4.469 10.648 -1.192 1.00 0.00 N ATOM 660 CA LYS A 60 -4.456 11.716 -2.180 1.00 0.00 C ATOM 661 C LYS A 60 -4.219 11.156 -3.579 1.00 0.00 C ATOM 662 O LYS A 60 -4.933 11.494 -4.523 1.00 0.00 O ATOM 663 CB LYS A 60 -3.375 12.744 -1.835 1.00 0.00 C ATOM 664 CG LYS A 60 -3.932 14.066 -1.333 1.00 0.00 C ATOM 665 CD LYS A 60 -3.220 15.251 -1.967 1.00 0.00 C ATOM 666 CE LYS A 60 -2.141 15.809 -1.053 1.00 0.00 C ATOM 667 NZ LYS A 60 -2.423 17.216 -0.654 1.00 0.00 N ATOM 0 H LYS A 60 -3.742 10.727 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.429 12.207 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.716 12.325 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.765 12.928 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.998 14.120 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.829 14.117 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.774 14.945 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.945 16.033 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.064 15.187 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.177 15.762 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.664 17.559 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.471 17.815 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.331 17.258 -0.149 1.00 0.00 H new ATOM 681 N SER A 61 -3.211 10.298 -3.701 1.00 0.00 N ATOM 682 CA SER A 61 -2.873 9.685 -4.978 1.00 0.00 C ATOM 683 C SER A 61 -4.091 9.019 -5.607 1.00 0.00 C ATOM 684 O SER A 61 -4.293 9.081 -6.819 1.00 0.00 O ATOM 685 CB SER A 61 -1.759 8.656 -4.792 1.00 0.00 C ATOM 686 OG SER A 61 -2.194 7.574 -3.988 1.00 0.00 O ATOM 0 H SER A 61 -2.612 10.011 -2.926 1.00 0.00 H new ATOM 0 HA SER A 61 -2.528 10.473 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.437 8.284 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.894 9.132 -4.330 1.00 0.00 H new ATOM 0 HG SER A 61 -2.513 7.914 -3.126 1.00 0.00 H new ATOM 692 N GLY A 62 -4.899 8.377 -4.771 1.00 0.00 N ATOM 693 CA GLY A 62 -6.086 7.700 -5.258 1.00 0.00 C ATOM 694 C GLY A 62 -5.762 6.371 -5.912 1.00 0.00 C ATOM 695 O GLY A 62 -6.548 5.858 -6.710 1.00 0.00 O ATOM 0 H GLY A 62 -4.753 8.313 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.774 7.536 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.598 8.341 -5.976 1.00 0.00 H new ATOM 699 N LYS A 63 -4.604 5.815 -5.573 1.00 0.00 N ATOM 700 CA LYS A 63 -4.175 4.538 -6.133 1.00 0.00 C ATOM 701 C LYS A 63 -4.040 3.490 -5.035 1.00 0.00 C ATOM 702 O LYS A 63 -4.406 2.329 -5.220 1.00 0.00 O ATOM 703 CB LYS A 63 -2.836 4.686 -6.866 1.00 0.00 C ATOM 704 CG LYS A 63 -2.626 6.043 -7.524 1.00 0.00 C ATOM 705 CD LYS A 63 -3.080 6.036 -8.973 1.00 0.00 C ATOM 706 CE LYS A 63 -4.475 6.623 -9.120 1.00 0.00 C ATOM 707 NZ LYS A 63 -4.871 6.762 -10.548 1.00 0.00 N ATOM 0 H LYS A 63 -3.945 6.228 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.934 4.215 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.026 4.510 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.766 3.911 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.177 6.805 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.571 6.314 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.377 6.608 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.071 5.015 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.193 5.985 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.511 7.599 -8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.828 7.165 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.200 7.391 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.862 5.827 -11.003 1.00 0.00 H new ATOM 721 N LEU A 64 -3.502 3.906 -3.894 1.00 0.00 N ATOM 722 CA LEU A 64 -3.308 3.003 -2.767 1.00 0.00 C ATOM 723 C LEU A 64 -4.535 2.972 -1.865 1.00 0.00 C ATOM 724 O LEU A 64 -4.843 3.948 -1.181 1.00 0.00 O ATOM 725 CB LEU A 64 -2.079 3.418 -1.955 1.00 0.00 C ATOM 726 CG LEU A 64 -0.757 2.797 -2.412 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.354 3.130 -1.431 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.895 1.289 -2.564 1.00 0.00 C ATOM 0 H LEU A 64 -3.193 4.863 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.152 2.002 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.986 4.503 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.246 3.151 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.500 3.218 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.287 2.681 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.473 4.212 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.100 2.737 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.056 0.868 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.177 0.851 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.663 1.067 -3.305 1.00 0.00 H new ATOM 740 N ASN A 65 -5.225 1.838 -1.861 1.00 0.00 N ATOM 741 CA ASN A 65 -6.413 1.666 -1.034 1.00 0.00 C ATOM 742 C ASN A 65 -6.161 0.610 0.035 1.00 0.00 C ATOM 743 O ASN A 65 -5.453 -0.369 -0.203 1.00 0.00 O ATOM 744 CB ASN A 65 -7.610 1.264 -1.897 1.00 0.00 C ATOM 745 CG ASN A 65 -7.285 0.124 -2.842 1.00 0.00 C ATOM 746 OD1 ASN A 65 -6.608 0.439 -3.940 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -7.639 -1.028 -2.588 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.982 1.022 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.637 2.615 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.438 0.972 -1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.944 2.126 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.158 -1.225 -1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.413 -1.785 -3.233 1.00 0.00 H new ATOM 754 N ILE A 66 -6.738 0.814 1.218 1.00 0.00 N ATOM 755 CA ILE A 66 -6.571 -0.123 2.323 1.00 0.00 C ATOM 756 C ILE A 66 -6.732 -1.571 1.856 1.00 0.00 C ATOM 757 O ILE A 66 -7.739 -1.930 1.246 1.00 0.00 O ATOM 758 CB ILE A 66 -7.561 0.180 3.460 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.154 1.485 4.141 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.600 -0.967 4.465 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.981 1.820 5.355 1.00 0.00 C ATOM 0 H ILE A 66 -7.325 1.620 1.434 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.557 0.003 2.703 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.564 0.287 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.106 1.420 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.234 2.300 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.307 -0.730 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.913 -1.882 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.608 -1.110 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.633 2.760 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.028 1.918 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.881 1.025 6.094 1.00 0.00 H new ATOM 773 N GLY A 67 -5.721 -2.386 2.134 1.00 0.00 N ATOM 774 CA GLY A 67 -5.749 -3.777 1.724 1.00 0.00 C ATOM 775 C GLY A 67 -4.821 -4.048 0.553 1.00 0.00 C ATOM 776 O GLY A 67 -4.674 -5.190 0.117 1.00 0.00 O ATOM 0 H GLY A 67 -4.879 -2.107 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.463 -4.408 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.767 -4.053 1.450 1.00 0.00 H new ATOM 780 N ASP A 68 -4.190 -2.990 0.047 1.00 0.00 N ATOM 781 CA ASP A 68 -3.267 -3.101 -1.073 1.00 0.00 C ATOM 782 C ASP A 68 -1.961 -3.750 -0.630 1.00 0.00 C ATOM 783 O ASP A 68 -1.326 -3.295 0.320 1.00 0.00 O ATOM 784 CB ASP A 68 -3.005 -1.719 -1.664 1.00 0.00 C ATOM 785 CG ASP A 68 -3.991 -1.369 -2.763 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.679 -2.285 -3.258 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.075 -0.178 -3.126 1.00 0.00 O ATOM 0 H ASP A 68 -4.305 -2.040 0.401 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.716 -3.734 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.064 -0.971 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.991 -1.682 -2.063 1.00 0.00 H new ATOM 792 N GLN A 69 -1.562 -4.820 -1.317 1.00 0.00 N ATOM 793 CA GLN A 69 -0.332 -5.515 -0.969 1.00 0.00 C ATOM 794 C GLN A 69 0.862 -4.856 -1.649 1.00 0.00 C ATOM 795 O GLN A 69 1.346 -5.325 -2.677 1.00 0.00 O ATOM 796 CB GLN A 69 -0.418 -6.995 -1.355 1.00 0.00 C ATOM 797 CG GLN A 69 0.064 -7.935 -0.264 1.00 0.00 C ATOM 798 CD GLN A 69 0.796 -9.143 -0.816 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.893 -8.896 -1.523 1.00 0.00 O flip ATOM 800 NE2 GLN A 69 0.380 -10.283 -0.614 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.069 -5.218 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.196 -5.451 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.451 -7.238 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.173 -7.162 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.725 -7.392 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.790 -8.270 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.467 -10.427 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.883 -11.084 -0.996 1.00 0.00 H new ATOM 809 N ILE A 70 1.325 -3.756 -1.070 1.00 0.00 N ATOM 810 CA ILE A 70 2.457 -3.023 -1.623 1.00 0.00 C ATOM 811 C ILE A 70 3.653 -3.949 -1.837 1.00 0.00 C ATOM 812 O ILE A 70 3.900 -4.850 -1.036 1.00 0.00 O ATOM 813 CB ILE A 70 2.866 -1.846 -0.716 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.617 -1.133 -0.170 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.759 -0.878 -1.483 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.886 0.264 0.351 1.00 0.00 C ATOM 0 H ILE A 70 0.935 -3.352 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 70 2.141 -2.621 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 70 3.432 -2.232 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.868 -1.078 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.190 -1.734 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.042 -0.050 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.656 -1.399 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.219 -0.492 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.957 0.700 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.611 0.216 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.284 0.882 -0.454 1.00 0.00 H new ATOM 828 N MET A 71 4.375 -3.737 -2.934 1.00 0.00 N ATOM 829 CA MET A 71 5.524 -4.579 -3.258 1.00 0.00 C ATOM 830 C MET A 71 6.840 -3.804 -3.217 1.00 0.00 C ATOM 831 O MET A 71 7.877 -4.360 -2.860 1.00 0.00 O ATOM 832 CB MET A 71 5.340 -5.206 -4.640 1.00 0.00 C ATOM 833 CG MET A 71 4.203 -6.215 -4.703 1.00 0.00 C ATOM 834 SD MET A 71 4.769 -7.880 -5.102 1.00 0.00 S ATOM 835 CE MET A 71 3.611 -8.866 -4.156 1.00 0.00 C ATOM 0 H MET A 71 4.187 -2.996 -3.609 1.00 0.00 H new ATOM 0 HA MET A 71 5.577 -5.359 -2.499 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.154 -4.415 -5.367 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.268 -5.697 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.685 -6.232 -3.744 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.479 -5.893 -5.451 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.158 -9.587 -3.549 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.025 -8.216 -3.506 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.944 -9.396 -4.836 1.00 0.00 H new ATOM 845 N SER A 72 6.806 -2.528 -3.592 1.00 0.00 N ATOM 846 CA SER A 72 8.024 -1.721 -3.597 1.00 0.00 C ATOM 847 C SER A 72 7.711 -0.230 -3.571 1.00 0.00 C ATOM 848 O SER A 72 6.631 0.195 -3.976 1.00 0.00 O ATOM 849 CB SER A 72 8.865 -2.049 -4.832 1.00 0.00 C ATOM 850 OG SER A 72 10.083 -1.327 -4.830 1.00 0.00 O ATOM 0 H SER A 72 5.964 -2.036 -3.892 1.00 0.00 H new ATOM 0 HA SER A 72 8.585 -1.964 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.074 -3.119 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.300 -1.811 -5.733 1.00 0.00 H new ATOM 0 HG SER A 72 10.601 -1.557 -5.629 1.00 0.00 H new ATOM 856 N ILE A 73 8.672 0.561 -3.095 1.00 0.00 N ATOM 857 CA ILE A 73 8.508 2.007 -3.016 1.00 0.00 C ATOM 858 C ILE A 73 9.687 2.739 -3.651 1.00 0.00 C ATOM 859 O ILE A 73 10.820 2.644 -3.177 1.00 0.00 O ATOM 860 CB ILE A 73 8.349 2.472 -1.560 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.187 1.728 -0.910 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.127 3.979 -1.497 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.406 1.440 0.553 1.00 0.00 C ATOM 0 H ILE A 73 9.573 0.221 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 73 7.601 2.251 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 73 9.265 2.246 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.278 2.318 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.026 0.788 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.017 4.287 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.982 4.491 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.224 4.237 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.542 0.909 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.297 0.824 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.537 2.378 1.093 1.00 0.00 H new ATOM 875 N ASN A 74 9.411 3.474 -4.726 1.00 0.00 N ATOM 876 CA ASN A 74 10.445 4.227 -5.430 1.00 0.00 C ATOM 877 C ASN A 74 11.623 3.331 -5.806 1.00 0.00 C ATOM 878 O ASN A 74 12.742 3.808 -5.996 1.00 0.00 O ATOM 879 CB ASN A 74 10.938 5.388 -4.565 1.00 0.00 C ATOM 880 CG ASN A 74 9.837 6.374 -4.233 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.355 7.101 -5.102 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.433 6.406 -2.969 1.00 0.00 N ATOM 0 H ASN A 74 8.478 3.564 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 74 10.004 4.620 -6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.359 4.994 -3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.742 5.908 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.695 7.051 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.860 5.786 -2.281 1.00 0.00 H new ATOM 889 N GLY A 75 11.366 2.030 -5.914 1.00 0.00 N ATOM 890 CA GLY A 75 12.418 1.095 -6.267 1.00 0.00 C ATOM 891 C GLY A 75 12.879 0.252 -5.091 1.00 0.00 C ATOM 892 O GLY A 75 13.852 -0.493 -5.204 1.00 0.00 O ATOM 0 H GLY A 75 10.450 1.608 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.062 0.438 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.268 1.647 -6.667 1.00 0.00 H new ATOM 896 N THR A 76 12.184 0.362 -3.961 1.00 0.00 N ATOM 897 CA THR A 76 12.539 -0.407 -2.773 1.00 0.00 C ATOM 898 C THR A 76 11.534 -1.528 -2.543 1.00 0.00 C ATOM 899 O THR A 76 10.483 -1.318 -1.938 1.00 0.00 O ATOM 900 CB THR A 76 12.597 0.502 -1.549 1.00 0.00 C ATOM 901 OG1 THR A 76 13.340 1.675 -1.828 1.00 0.00 O ATOM 902 CG2 THR A 76 13.222 -0.161 -0.339 1.00 0.00 C ATOM 0 H THR A 76 11.376 0.973 -3.844 1.00 0.00 H new ATOM 0 HA THR A 76 13.524 -0.847 -2.931 1.00 0.00 H new ATOM 0 HB THR A 76 11.559 0.739 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.779 2.307 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.232 0.540 0.495 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.641 -1.042 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.244 -0.459 -0.575 1.00 0.00 H new ATOM 910 N SER A 77 11.861 -2.717 -3.038 1.00 0.00 N ATOM 911 CA SER A 77 10.984 -3.874 -2.898 1.00 0.00 C ATOM 912 C SER A 77 10.909 -4.342 -1.450 1.00 0.00 C ATOM 913 O SER A 77 11.933 -4.564 -0.803 1.00 0.00 O ATOM 914 CB SER A 77 11.470 -5.017 -3.790 1.00 0.00 C ATOM 915 OG SER A 77 12.638 -5.618 -3.256 1.00 0.00 O ATOM 0 H SER A 77 12.728 -2.905 -3.541 1.00 0.00 H new ATOM 0 HA SER A 77 9.984 -3.573 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.684 -5.766 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.677 -4.639 -4.791 1.00 0.00 H new ATOM 0 HG SER A 77 12.770 -5.314 -2.334 1.00 0.00 H new ATOM 921 N LEU A 78 9.687 -4.500 -0.952 1.00 0.00 N ATOM 922 CA LEU A 78 9.475 -4.954 0.417 1.00 0.00 C ATOM 923 C LEU A 78 9.279 -6.465 0.468 1.00 0.00 C ATOM 924 O LEU A 78 8.851 -7.011 1.485 1.00 0.00 O ATOM 925 CB LEU A 78 8.263 -4.255 1.029 1.00 0.00 C ATOM 926 CG LEU A 78 8.306 -2.728 0.971 1.00 0.00 C ATOM 927 CD1 LEU A 78 7.155 -2.196 0.136 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.272 -2.141 2.374 1.00 0.00 C ATOM 0 H LEU A 78 8.830 -4.321 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 78 10.364 -4.700 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.365 -4.599 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.172 -4.562 2.071 1.00 0.00 H new ATOM 0 HG LEU A 78 9.240 -2.425 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.201 -1.107 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.228 -2.591 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.209 -2.507 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.303 -1.053 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.355 -2.451 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.133 -2.498 2.939 1.00 0.00 H new ATOM 940 N VAL A 79 9.597 -7.135 -0.633 1.00 0.00 N ATOM 941 CA VAL A 79 9.458 -8.582 -0.713 1.00 0.00 C ATOM 942 C VAL A 79 10.564 -9.281 0.067 1.00 0.00 C ATOM 943 O VAL A 79 11.714 -9.319 -0.371 1.00 0.00 O ATOM 944 CB VAL A 79 9.509 -9.071 -2.171 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.009 -10.506 -2.267 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.707 -8.154 -3.085 1.00 0.00 C ATOM 0 H VAL A 79 9.953 -6.698 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 79 8.488 -8.829 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 79 10.547 -9.045 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.051 -10.837 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.637 -11.152 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.980 -10.557 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.761 -8.524 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.667 -8.135 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.119 -7.146 -3.041 1.00 0.00 H new ATOM 956 N GLY A 80 10.212 -9.839 1.217 1.00 0.00 N ATOM 957 CA GLY A 80 11.193 -10.533 2.027 1.00 0.00 C ATOM 958 C GLY A 80 11.520 -9.801 3.313 1.00 0.00 C ATOM 959 O GLY A 80 11.823 -10.430 4.327 1.00 0.00 O ATOM 0 H GLY A 80 9.268 -9.824 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.820 -11.529 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.107 -10.666 1.448 1.00 0.00 H new ATOM 963 N LEU A 81 11.460 -8.473 3.281 1.00 0.00 N ATOM 964 CA LEU A 81 11.760 -7.684 4.473 1.00 0.00 C ATOM 965 C LEU A 81 10.542 -7.595 5.391 1.00 0.00 C ATOM 966 O LEU A 81 9.414 -7.428 4.925 1.00 0.00 O ATOM 967 CB LEU A 81 12.252 -6.277 4.108 1.00 0.00 C ATOM 968 CG LEU A 81 11.601 -5.633 2.882 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.551 -4.121 3.046 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.370 -6.006 1.621 1.00 0.00 C ATOM 0 H LEU A 81 11.210 -7.927 2.457 1.00 0.00 H new ATOM 0 HA LEU A 81 12.562 -8.195 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.090 -5.624 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.328 -6.322 3.941 1.00 0.00 H new ATOM 0 HG LEU A 81 10.581 -6.006 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.086 -3.675 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.968 -3.870 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.564 -3.733 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.897 -5.542 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.398 -5.654 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.366 -7.089 1.499 1.00 0.00 H new ATOM 982 N PRO A 82 10.755 -7.711 6.716 1.00 0.00 N ATOM 983 CA PRO A 82 9.671 -7.650 7.703 1.00 0.00 C ATOM 984 C PRO A 82 8.991 -6.287 7.739 1.00 0.00 C ATOM 985 O PRO A 82 9.368 -5.373 7.005 1.00 0.00 O ATOM 986 CB PRO A 82 10.375 -7.925 9.036 1.00 0.00 C ATOM 987 CG PRO A 82 11.804 -7.581 8.795 1.00 0.00 C ATOM 988 CD PRO A 82 12.069 -7.916 7.355 1.00 0.00 C ATOM 0 HA PRO A 82 8.878 -8.360 7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.953 -7.319 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.265 -8.968 9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.990 -6.525 8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.459 -8.149 9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.832 -7.268 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.419 -8.942 7.238 1.00 0.00 H new ATOM 996 N LEU A 83 7.987 -6.156 8.601 1.00 0.00 N ATOM 997 CA LEU A 83 7.257 -4.904 8.735 1.00 0.00 C ATOM 998 C LEU A 83 8.160 -3.803 9.275 1.00 0.00 C ATOM 999 O LEU A 83 7.991 -2.632 8.941 1.00 0.00 O ATOM 1000 CB LEU A 83 6.047 -5.083 9.654 1.00 0.00 C ATOM 1001 CG LEU A 83 5.251 -3.805 9.931 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.934 -3.080 8.631 1.00 0.00 C ATOM 1003 CD2 LEU A 83 3.973 -4.130 10.689 1.00 0.00 C ATOM 0 H LEU A 83 7.662 -6.902 9.216 1.00 0.00 H new ATOM 0 HA LEU A 83 6.909 -4.612 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.378 -5.821 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.389 -5.494 10.604 1.00 0.00 H new ATOM 0 HG LEU A 83 5.860 -3.146 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.368 -2.174 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.863 -2.815 8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.344 -3.731 7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.418 -3.211 10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.360 -4.808 10.095 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.223 -4.604 11.638 1.00 0.00 H new ATOM 1015 N SER A 84 9.123 -4.182 10.108 1.00 0.00 N ATOM 1016 CA SER A 84 10.054 -3.218 10.685 1.00 0.00 C ATOM 1017 C SER A 84 10.722 -2.396 9.589 1.00 0.00 C ATOM 1018 O SER A 84 10.778 -1.167 9.662 1.00 0.00 O ATOM 1019 CB SER A 84 11.115 -3.937 11.522 1.00 0.00 C ATOM 1020 OG SER A 84 10.754 -3.957 12.893 1.00 0.00 O ATOM 0 H SER A 84 9.280 -5.147 10.398 1.00 0.00 H new ATOM 0 HA SER A 84 9.492 -2.544 11.332 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.238 -4.958 11.160 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.077 -3.438 11.403 1.00 0.00 H new ATOM 0 HG SER A 84 11.446 -4.423 13.407 1.00 0.00 H new ATOM 1026 N THR A 85 11.220 -3.084 8.567 1.00 0.00 N ATOM 1027 CA THR A 85 11.878 -2.420 7.449 1.00 0.00 C ATOM 1028 C THR A 85 10.876 -1.609 6.635 1.00 0.00 C ATOM 1029 O THR A 85 11.134 -0.459 6.286 1.00 0.00 O ATOM 1030 CB THR A 85 12.566 -3.444 6.552 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.399 -4.299 7.313 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.417 -2.815 5.470 1.00 0.00 C ATOM 0 H THR A 85 11.180 -4.100 8.490 1.00 0.00 H new ATOM 0 HA THR A 85 12.628 -1.741 7.854 1.00 0.00 H new ATOM 0 HB THR A 85 11.758 -4.002 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.830 -4.949 6.720 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.878 -3.598 4.868 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.792 -2.189 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.195 -2.204 5.928 1.00 0.00 H new ATOM 1040 N CYS A 86 9.727 -2.215 6.341 1.00 0.00 N ATOM 1041 CA CYS A 86 8.683 -1.546 5.569 1.00 0.00 C ATOM 1042 C CYS A 86 8.267 -0.245 6.240 1.00 0.00 C ATOM 1043 O CYS A 86 8.124 0.787 5.582 1.00 0.00 O ATOM 1044 CB CYS A 86 7.473 -2.469 5.413 1.00 0.00 C ATOM 1045 SG CYS A 86 7.881 -4.127 4.817 1.00 0.00 S ATOM 0 H CYS A 86 9.496 -3.167 6.626 1.00 0.00 H new ATOM 0 HA CYS A 86 9.081 -1.311 4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.968 -2.554 6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.766 -2.010 4.722 1.00 0.00 H new ATOM 0 HG CYS A 86 8.534 -4.771 5.739 1.00 0.00 H new ATOM 1051 N GLN A 87 8.089 -0.293 7.555 1.00 0.00 N ATOM 1052 CA GLN A 87 7.706 0.890 8.311 1.00 0.00 C ATOM 1053 C GLN A 87 8.741 1.990 8.126 1.00 0.00 C ATOM 1054 O GLN A 87 8.405 3.118 7.768 1.00 0.00 O ATOM 1055 CB GLN A 87 7.562 0.552 9.796 1.00 0.00 C ATOM 1056 CG GLN A 87 6.382 -0.357 10.104 1.00 0.00 C ATOM 1057 CD GLN A 87 5.048 0.351 9.967 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.589 0.508 8.731 1.00 0.00 O flip ATOM 1059 NE2 GLN A 87 4.440 0.751 10.960 1.00 0.00 N flip ATOM 0 H GLN A 87 8.204 -1.136 8.117 1.00 0.00 H new ATOM 0 HA GLN A 87 6.744 1.242 7.938 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.478 0.073 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.454 1.478 10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.404 -1.215 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.481 -0.744 11.118 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.833 0.607 11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.544 1.226 10.852 1.00 0.00 H new ATOM 1068 N SER A 88 10.000 1.649 8.367 1.00 0.00 N ATOM 1069 CA SER A 88 11.091 2.602 8.229 1.00 0.00 C ATOM 1070 C SER A 88 11.128 3.199 6.823 1.00 0.00 C ATOM 1071 O SER A 88 11.498 4.360 6.649 1.00 0.00 O ATOM 1072 CB SER A 88 12.429 1.933 8.552 1.00 0.00 C ATOM 1073 OG SER A 88 13.511 2.642 7.973 1.00 0.00 O ATOM 0 H SER A 88 10.291 0.716 8.660 1.00 0.00 H new ATOM 0 HA SER A 88 10.919 3.412 8.938 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.561 1.882 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.424 0.907 8.183 1.00 0.00 H new ATOM 0 HG SER A 88 14.353 2.193 8.197 1.00 0.00 H new ATOM 1079 N ILE A 89 10.727 2.414 5.824 1.00 0.00 N ATOM 1080 CA ILE A 89 10.706 2.897 4.454 1.00 0.00 C ATOM 1081 C ILE A 89 9.724 4.051 4.358 1.00 0.00 C ATOM 1082 O ILE A 89 10.034 5.102 3.802 1.00 0.00 O ATOM 1083 CB ILE A 89 10.308 1.780 3.460 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.412 0.719 3.396 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.036 2.360 2.078 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.287 -0.229 2.220 1.00 0.00 C ATOM 0 H ILE A 89 10.416 1.450 5.941 1.00 0.00 H new ATOM 0 HA ILE A 89 11.709 3.229 4.186 1.00 0.00 H new ATOM 0 HB ILE A 89 9.390 1.309 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.380 1.218 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.400 0.140 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.758 1.557 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.222 3.082 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.933 2.856 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.105 -0.949 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.336 -0.758 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.331 0.337 1.290 1.00 0.00 H new ATOM 1098 N ILE A 90 8.550 3.849 4.941 1.00 0.00 N ATOM 1099 CA ILE A 90 7.524 4.876 4.957 1.00 0.00 C ATOM 1100 C ILE A 90 8.032 6.104 5.698 1.00 0.00 C ATOM 1101 O ILE A 90 7.721 7.240 5.339 1.00 0.00 O ATOM 1102 CB ILE A 90 6.244 4.374 5.639 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.853 3.014 5.053 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.130 5.398 5.481 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.408 2.627 5.288 1.00 0.00 C ATOM 0 H ILE A 90 8.287 2.982 5.409 1.00 0.00 H new ATOM 0 HA ILE A 90 7.292 5.131 3.923 1.00 0.00 H new ATOM 0 HB ILE A 90 6.420 4.245 6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.044 3.025 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.497 2.247 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.227 5.031 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.433 6.339 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.931 5.558 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.215 1.652 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.214 2.580 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.754 3.370 4.833 1.00 0.00 H new ATOM 1117 N LYS A 91 8.831 5.857 6.735 1.00 0.00 N ATOM 1118 CA LYS A 91 9.404 6.930 7.534 1.00 0.00 C ATOM 1119 C LYS A 91 10.298 7.807 6.669 1.00 0.00 C ATOM 1120 O LYS A 91 10.185 9.033 6.679 1.00 0.00 O ATOM 1121 CB LYS A 91 10.214 6.352 8.698 1.00 0.00 C ATOM 1122 CG LYS A 91 9.425 5.393 9.574 1.00 0.00 C ATOM 1123 CD LYS A 91 8.681 6.124 10.674 1.00 0.00 C ATOM 1124 CE LYS A 91 7.441 5.358 11.101 1.00 0.00 C ATOM 1125 NZ LYS A 91 6.477 6.223 11.834 1.00 0.00 N ATOM 0 H LYS A 91 9.094 4.920 7.039 1.00 0.00 H new ATOM 0 HA LYS A 91 8.592 7.536 7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.086 5.833 8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.584 7.172 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.715 4.839 8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.102 4.662 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.339 6.263 11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.396 7.117 10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.954 4.937 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.732 4.521 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.645 5.662 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.933 6.605 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.179 7.008 11.220 1.00 0.00 H new ATOM 1139 N GLY A 92 11.182 7.164 5.910 1.00 0.00 N ATOM 1140 CA GLY A 92 12.077 7.893 5.033 1.00 0.00 C ATOM 1141 C GLY A 92 11.339 8.590 3.906 1.00 0.00 C ATOM 1142 O GLY A 92 11.910 9.425 3.206 1.00 0.00 O ATOM 0 H GLY A 92 11.293 6.150 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.629 8.632 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.810 7.205 4.613 1.00 0.00 H new ATOM 1146 N LEU A 93 10.062 8.253 3.737 1.00 0.00 N ATOM 1147 CA LEU A 93 9.240 8.853 2.694 1.00 0.00 C ATOM 1148 C LEU A 93 8.555 10.119 3.201 1.00 0.00 C ATOM 1149 O LEU A 93 7.475 10.480 2.734 1.00 0.00 O ATOM 1150 CB LEU A 93 8.182 7.857 2.219 1.00 0.00 C ATOM 1151 CG LEU A 93 8.722 6.641 1.469 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.583 5.714 1.077 1.00 0.00 C ATOM 1153 CD2 LEU A 93 9.506 7.082 0.243 1.00 0.00 C ATOM 0 H LEU A 93 9.575 7.565 4.312 1.00 0.00 H new ATOM 0 HA LEU A 93 9.892 9.117 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.619 7.509 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.479 8.380 1.571 1.00 0.00 H new ATOM 0 HG LEU A 93 9.397 6.094 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.983 4.852 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.063 5.377 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.885 6.248 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.885 6.205 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.854 7.649 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.342 7.709 0.552 1.00 0.00 H new ATOM 1165 N LYS A 94 9.179 10.780 4.169 1.00 0.00 N ATOM 1166 CA LYS A 94 8.629 11.986 4.749 1.00 0.00 C ATOM 1167 C LYS A 94 8.993 13.216 3.926 1.00 0.00 C ATOM 1168 O LYS A 94 8.177 14.118 3.750 1.00 0.00 O ATOM 1169 CB LYS A 94 9.132 12.156 6.185 1.00 0.00 C ATOM 1170 CG LYS A 94 8.066 12.642 7.152 1.00 0.00 C ATOM 1171 CD LYS A 94 8.355 12.186 8.574 1.00 0.00 C ATOM 1172 CE LYS A 94 8.656 13.362 9.489 1.00 0.00 C ATOM 1173 NZ LYS A 94 8.255 13.088 10.897 1.00 0.00 N ATOM 0 H LYS A 94 10.073 10.493 4.567 1.00 0.00 H new ATOM 0 HA LYS A 94 7.543 11.889 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.523 11.202 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.962 12.862 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.014 13.730 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.091 12.267 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.499 11.634 8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.202 11.500 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.722 13.587 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.131 14.246 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.477 13.914 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.233 12.899 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.774 12.259 11.251 1.00 0.00 H new ATOM 1187 N ASN A 95 10.228 13.259 3.437 1.00 0.00 N ATOM 1188 CA ASN A 95 10.689 14.397 2.655 1.00 0.00 C ATOM 1189 C ASN A 95 11.112 13.990 1.244 1.00 0.00 C ATOM 1190 O ASN A 95 12.270 14.156 0.860 1.00 0.00 O ATOM 1191 CB ASN A 95 11.851 15.083 3.373 1.00 0.00 C ATOM 1192 CG ASN A 95 12.869 14.092 3.911 1.00 0.00 C ATOM 1193 OD1 ASN A 95 12.532 13.441 5.018 1.00 0.00 O flip ATOM 1194 ND2 ASN A 95 13.943 13.917 3.338 1.00 0.00 N flip ATOM 0 H ASN A 95 10.922 12.524 3.568 1.00 0.00 H new ATOM 0 HA ASN A 95 9.854 15.091 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.345 15.769 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.462 15.682 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 95 14.159 14.440 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 95 14.617 13.249 3.711 1.00 0.00 H new ATOM 1201 N GLN A 96 10.161 13.478 0.471 1.00 0.00 N ATOM 1202 CA GLN A 96 10.431 13.072 -0.907 1.00 0.00 C ATOM 1203 C GLN A 96 9.567 13.874 -1.870 1.00 0.00 C ATOM 1204 O GLN A 96 10.026 14.297 -2.931 1.00 0.00 O ATOM 1205 CB GLN A 96 10.159 11.580 -1.111 1.00 0.00 C ATOM 1206 CG GLN A 96 10.399 10.730 0.122 1.00 0.00 C ATOM 1207 CD GLN A 96 11.868 10.437 0.352 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.457 11.097 1.342 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 12.469 9.625 -0.353 1.00 0.00 N flip ATOM 0 H GLN A 96 9.197 13.334 0.772 1.00 0.00 H new ATOM 0 HA GLN A 96 11.485 13.265 -1.107 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.125 11.451 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.792 11.214 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.993 11.241 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.856 9.790 0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.978 9.139 -1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.458 9.438 -0.186 1.00 0.00 H new ATOM 1218 N SER A 97 8.310 14.073 -1.484 1.00 0.00 N ATOM 1219 CA SER A 97 7.351 14.820 -2.296 1.00 0.00 C ATOM 1220 C SER A 97 6.781 13.959 -3.425 1.00 0.00 C ATOM 1221 O SER A 97 5.910 14.405 -4.169 1.00 0.00 O ATOM 1222 CB SER A 97 7.996 16.083 -2.878 1.00 0.00 C ATOM 1223 OG SER A 97 7.011 17.016 -3.287 1.00 0.00 O ATOM 0 H SER A 97 7.928 13.724 -0.605 1.00 0.00 H new ATOM 0 HA SER A 97 6.530 15.111 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.647 16.540 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.624 15.816 -3.728 1.00 0.00 H new ATOM 0 HG SER A 97 6.120 16.652 -3.104 1.00 0.00 H new ATOM 1229 N ARG A 98 7.271 12.725 -3.544 1.00 0.00 N ATOM 1230 CA ARG A 98 6.800 11.808 -4.580 1.00 0.00 C ATOM 1231 C ARG A 98 7.135 10.370 -4.199 1.00 0.00 C ATOM 1232 O ARG A 98 8.189 10.106 -3.621 1.00 0.00 O ATOM 1233 CB ARG A 98 7.432 12.160 -5.931 1.00 0.00 C ATOM 1234 CG ARG A 98 6.467 12.814 -6.910 1.00 0.00 C ATOM 1235 CD ARG A 98 7.163 13.851 -7.774 1.00 0.00 C ATOM 1236 NE ARG A 98 6.829 15.216 -7.372 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.984 16.280 -8.156 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.472 16.144 -9.383 1.00 0.00 N ATOM 1239 NH2 ARG A 98 6.650 17.485 -7.712 1.00 0.00 N ATOM 0 H ARG A 98 7.993 12.338 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 98 5.718 11.905 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.275 12.831 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.832 11.252 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.020 12.050 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.653 13.286 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.242 13.709 -7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.882 13.702 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 98 6.455 15.362 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.730 15.220 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.588 16.963 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.275 17.595 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.769 18.301 -8.313 1.00 0.00 H new ATOM 1253 N VAL A 99 6.236 9.441 -4.512 1.00 0.00 N ATOM 1254 CA VAL A 99 6.459 8.040 -4.178 1.00 0.00 C ATOM 1255 C VAL A 99 6.000 7.101 -5.287 1.00 0.00 C ATOM 1256 O VAL A 99 4.808 6.834 -5.436 1.00 0.00 O ATOM 1257 CB VAL A 99 5.745 7.648 -2.870 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.322 6.352 -2.324 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.854 8.762 -1.836 1.00 0.00 C ATOM 0 H VAL A 99 5.356 9.631 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 99 7.536 7.934 -4.051 1.00 0.00 H new ATOM 0 HB VAL A 99 4.688 7.494 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.809 6.086 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.186 5.556 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.385 6.483 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.342 8.461 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.904 8.954 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.393 9.669 -2.228 1.00 0.00 H new ATOM 1269 N LYS A 100 6.961 6.580 -6.043 1.00 0.00 N ATOM 1270 CA LYS A 100 6.669 5.639 -7.119 1.00 0.00 C ATOM 1271 C LYS A 100 6.713 4.223 -6.571 1.00 0.00 C ATOM 1272 O LYS A 100 7.667 3.481 -6.808 1.00 0.00 O ATOM 1273 CB LYS A 100 7.686 5.782 -8.255 1.00 0.00 C ATOM 1274 CG LYS A 100 8.064 7.221 -8.567 1.00 0.00 C ATOM 1275 CD LYS A 100 7.903 7.531 -10.046 1.00 0.00 C ATOM 1276 CE LYS A 100 6.464 7.346 -10.494 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.253 7.803 -11.896 1.00 0.00 N ATOM 0 H LYS A 100 7.952 6.794 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 100 5.677 5.854 -7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.588 5.228 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.278 5.321 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.440 7.897 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.096 7.400 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.218 8.556 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.554 6.880 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.191 6.294 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.803 7.901 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.460 7.278 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.037 8.820 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.115 7.630 -12.451 1.00 0.00 H new ATOM 1291 N LEU A 101 5.687 3.861 -5.816 1.00 0.00 N ATOM 1292 CA LEU A 101 5.620 2.540 -5.210 1.00 0.00 C ATOM 1293 C LEU A 101 4.666 1.624 -5.965 1.00 0.00 C ATOM 1294 O LEU A 101 3.479 1.919 -6.111 1.00 0.00 O ATOM 1295 CB LEU A 101 5.229 2.657 -3.734 1.00 0.00 C ATOM 1296 CG LEU A 101 3.822 3.167 -3.469 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.418 2.866 -2.037 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.725 4.661 -3.746 1.00 0.00 C ATOM 0 H LEU A 101 4.890 4.463 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 101 6.609 2.087 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.335 1.677 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.937 3.322 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 101 3.137 2.653 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.408 3.236 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.445 1.789 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.110 3.357 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.709 5.002 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.419 5.197 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.977 4.855 -4.789 1.00 0.00 H new ATOM 1310 N ASN A 102 5.204 0.510 -6.451 1.00 0.00 N ATOM 1311 CA ASN A 102 4.417 -0.462 -7.197 1.00 0.00 C ATOM 1312 C ASN A 102 3.776 -1.469 -6.251 1.00 0.00 C ATOM 1313 O ASN A 102 4.467 -2.248 -5.594 1.00 0.00 O ATOM 1314 CB ASN A 102 5.295 -1.187 -8.219 1.00 0.00 C ATOM 1315 CG ASN A 102 5.246 -0.537 -9.587 1.00 0.00 C ATOM 1316 OD1 ASN A 102 4.139 -0.730 -10.295 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 6.191 0.131 -10.004 1.00 0.00 N flip ATOM 0 H ASN A 102 6.186 0.258 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 102 3.627 0.070 -7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.325 -1.202 -7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.971 -2.225 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.023 0.254 -9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.143 0.562 -10.927 1.00 0.00 H new ATOM 1324 N ILE A 103 2.454 -1.444 -6.186 1.00 0.00 N ATOM 1325 CA ILE A 103 1.718 -2.351 -5.317 1.00 0.00 C ATOM 1326 C ILE A 103 0.922 -3.363 -6.132 1.00 0.00 C ATOM 1327 O ILE A 103 0.834 -3.255 -7.354 1.00 0.00 O ATOM 1328 CB ILE A 103 0.767 -1.576 -4.386 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.359 -0.916 -5.181 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.533 -0.528 -3.597 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.722 -1.167 -4.590 1.00 0.00 C ATOM 0 H ILE A 103 1.868 -0.806 -6.724 1.00 0.00 H new ATOM 0 HA ILE A 103 2.449 -2.884 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 103 0.324 -2.288 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.182 0.158 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.339 -1.288 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.846 0.010 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.300 -1.015 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.004 0.174 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.479 -0.673 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.917 -2.239 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.757 -0.771 -3.575 1.00 0.00 H new ATOM 1343 N VAL A 104 0.343 -4.348 -5.452 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.444 -5.372 -6.125 1.00 0.00 C ATOM 1345 C VAL A 104 -1.841 -5.489 -5.528 1.00 0.00 C ATOM 1346 O VAL A 104 -2.035 -5.318 -4.322 1.00 0.00 O ATOM 1347 CB VAL A 104 0.234 -6.751 -6.057 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.345 -6.858 -7.089 1.00 0.00 C ATOM 1349 CG2 VAL A 104 0.764 -7.019 -4.660 1.00 0.00 C ATOM 0 H VAL A 104 0.404 -4.457 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.519 -5.059 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.513 -7.510 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.810 -7.842 -7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.929 -6.720 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.094 -6.089 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.240 -7.999 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.494 -6.254 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.061 -6.996 -3.947 1.00 0.00 H new