USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 35 TYR OH : rot 130:sc= 0.0759 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.0689 K(o=0.14,f=-2.1) USER MOD Set 2.1: A 12 ASN : amide:sc= 2.23 K(o=4.4,f=-0.72) USER MOD Set 2.2: A 24 SER OG : rot -125:sc= 1.22 USER MOD Set 2.3: A 66 ASN : amide:sc= 0.948 K(o=4.4,f=-3.3!) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.195 (180deg=-0.832) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0299 (180deg=-0.283) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.92 K(o=0.92,f=-0.19) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 22:sc= 1.25 USER MOD Single : A 17 ASN : amide:sc= 1.19 K(o=1.2,f=-0.047) USER MOD Single : A 18 ASN : amide:sc=-0.00214 K(o=-0.0021,f=-0.85) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 48:sc= 1.24 USER MOD Single : A 32 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= -0.0916 K(o=-0.092,f=-4.4!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.0165 (180deg=-0.2) USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= -1.15 (180deg=-3.55!) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= -0.169 (180deg=-0.695) USER MOD Single : A 45 TYR OH : rot -140:sc= 1.29 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.749 (180deg=0.716) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.101 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 155:sc= 1.43 USER MOD Single : A 70 GLN : amide:sc= -0.0802 K(o=-0.08,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 80 HIS : no HD1:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.991 K(o=0.99,f=-3.8!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.041 14.258 -5.972 1.00 0.00 N ATOM 2 CA MET A 1 20.300 14.031 -4.530 1.00 0.00 C ATOM 3 C MET A 1 19.434 14.950 -3.677 1.00 0.00 C ATOM 4 O MET A 1 18.499 14.498 -3.019 1.00 0.00 O ATOM 5 CB MET A 1 21.774 14.281 -4.201 1.00 0.00 C ATOM 6 CG MET A 1 22.742 13.447 -5.020 1.00 0.00 C ATOM 7 SD MET A 1 24.464 13.775 -4.597 1.00 0.00 S ATOM 8 CE MET A 1 24.575 15.531 -4.942 1.00 0.00 C ATOM 0 H1 MET A 1 20.465 13.487 -6.526 1.00 0.00 H new ATOM 0 H2 MET A 1 19.015 14.282 -6.141 1.00 0.00 H new ATOM 0 H3 MET A 1 20.461 15.164 -6.262 1.00 0.00 H new ATOM 0 HA MET A 1 20.052 12.993 -4.307 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.997 15.336 -4.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.939 14.076 -3.143 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.528 12.390 -4.864 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.586 13.651 -6.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.559 15.760 -5.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.808 15.809 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.425 16.093 -4.020 1.00 0.00 H new ATOM 20 N ASP A 2 19.748 16.243 -3.714 1.00 0.00 N ATOM 21 CA ASP A 2 19.041 17.262 -2.929 1.00 0.00 C ATOM 22 C ASP A 2 17.523 17.171 -3.093 1.00 0.00 C ATOM 23 O ASP A 2 16.801 16.951 -2.123 1.00 0.00 O ATOM 24 CB ASP A 2 19.531 18.658 -3.327 1.00 0.00 C ATOM 25 CG ASP A 2 19.859 18.753 -4.804 1.00 0.00 C ATOM 26 OD1 ASP A 2 18.930 18.870 -5.626 1.00 0.00 O ATOM 27 OD2 ASP A 2 21.054 18.675 -5.153 1.00 0.00 O ATOM 0 H ASP A 2 20.502 16.618 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 2 19.264 17.078 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.766 19.394 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.417 18.910 -2.743 1.00 0.00 H new ATOM 32 N PHE A 3 17.043 17.331 -4.316 1.00 0.00 N ATOM 33 CA PHE A 3 15.614 17.254 -4.589 1.00 0.00 C ATOM 34 C PHE A 3 15.200 15.840 -4.984 1.00 0.00 C ATOM 35 O PHE A 3 14.194 15.643 -5.668 1.00 0.00 O ATOM 36 CB PHE A 3 15.223 18.252 -5.682 1.00 0.00 C ATOM 37 CG PHE A 3 15.237 19.679 -5.213 1.00 0.00 C ATOM 38 CD1 PHE A 3 14.142 20.213 -4.554 1.00 0.00 C ATOM 39 CD2 PHE A 3 16.344 20.484 -5.426 1.00 0.00 C ATOM 40 CE1 PHE A 3 14.150 21.523 -4.117 1.00 0.00 C ATOM 41 CE2 PHE A 3 16.358 21.796 -4.991 1.00 0.00 C ATOM 42 CZ PHE A 3 15.259 22.315 -4.336 1.00 0.00 C ATOM 0 H PHE A 3 17.621 17.515 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 3 15.084 17.513 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.908 18.146 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.226 18.007 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.272 19.598 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.206 20.082 -5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 3 13.290 21.927 -3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.227 22.414 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 3 15.267 23.340 -3.995 1.00 0.00 H new ATOM 52 N GLY A 4 15.972 14.858 -4.533 1.00 0.00 N ATOM 53 CA GLY A 4 15.605 13.471 -4.743 1.00 0.00 C ATOM 54 C GLY A 4 14.374 13.108 -3.942 1.00 0.00 C ATOM 55 O GLY A 4 13.507 12.371 -4.421 1.00 0.00 O ATOM 0 H GLY A 4 16.846 14.998 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.418 13.297 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.434 12.824 -4.455 1.00 0.00 H new ATOM 59 N LYS A 5 14.303 13.660 -2.727 1.00 0.00 N ATOM 60 CA LYS A 5 13.161 13.494 -1.828 1.00 0.00 C ATOM 61 C LYS A 5 13.044 12.045 -1.358 1.00 0.00 C ATOM 62 O LYS A 5 12.466 11.194 -2.037 1.00 0.00 O ATOM 63 CB LYS A 5 11.863 13.977 -2.492 1.00 0.00 C ATOM 64 CG LYS A 5 11.983 15.385 -3.064 1.00 0.00 C ATOM 65 CD LYS A 5 10.656 15.920 -3.579 1.00 0.00 C ATOM 66 CE LYS A 5 9.708 16.243 -2.438 1.00 0.00 C ATOM 67 NZ LYS A 5 8.549 17.056 -2.890 1.00 0.00 N ATOM 0 H LYS A 5 15.046 14.241 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 5 13.329 14.114 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.590 13.287 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.055 13.954 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.367 16.055 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.710 15.383 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.830 16.816 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.196 15.184 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.348 15.316 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.248 16.783 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.927 17.254 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.890 17.952 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.018 16.531 -3.614 1.00 0.00 H new ATOM 81 N PRO A 6 13.607 11.756 -0.175 1.00 0.00 N ATOM 82 CA PRO A 6 13.715 10.394 0.347 1.00 0.00 C ATOM 83 C PRO A 6 12.432 9.898 1.006 1.00 0.00 C ATOM 84 O PRO A 6 11.445 10.633 1.109 1.00 0.00 O ATOM 85 CB PRO A 6 14.828 10.523 1.383 1.00 0.00 C ATOM 86 CG PRO A 6 14.697 11.914 1.902 1.00 0.00 C ATOM 87 CD PRO A 6 14.177 12.746 0.758 1.00 0.00 C ATOM 0 HA PRO A 6 13.910 9.670 -0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.714 9.789 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.808 10.357 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.014 11.950 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.658 12.291 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.423 13.458 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.974 13.323 0.289 1.00 0.00 H new ATOM 95 N ASN A 7 12.473 8.642 1.448 1.00 0.00 N ATOM 96 CA ASN A 7 11.353 8.000 2.140 1.00 0.00 C ATOM 97 C ASN A 7 10.123 7.941 1.245 1.00 0.00 C ATOM 98 O ASN A 7 9.189 8.730 1.396 1.00 0.00 O ATOM 99 CB ASN A 7 11.005 8.720 3.451 1.00 0.00 C ATOM 100 CG ASN A 7 12.177 8.826 4.409 1.00 0.00 C ATOM 101 OD1 ASN A 7 13.074 7.988 4.416 1.00 0.00 O ATOM 102 ND2 ASN A 7 12.171 9.861 5.231 1.00 0.00 N ATOM 0 H ASN A 7 13.287 8.037 1.336 1.00 0.00 H new ATOM 0 HA ASN A 7 11.669 6.985 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.641 9.721 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.190 8.190 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.930 9.984 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.408 10.537 5.195 1.00 0.00 H new ATOM 109 N GLN A 8 10.138 7.021 0.292 1.00 0.00 N ATOM 110 CA GLN A 8 9.012 6.844 -0.612 1.00 0.00 C ATOM 111 C GLN A 8 8.525 5.401 -0.569 1.00 0.00 C ATOM 112 O GLN A 8 9.099 4.519 -1.208 1.00 0.00 O ATOM 113 CB GLN A 8 9.393 7.230 -2.046 1.00 0.00 C ATOM 114 CG GLN A 8 9.972 8.631 -2.172 1.00 0.00 C ATOM 115 CD GLN A 8 10.157 9.067 -3.613 1.00 0.00 C ATOM 116 OE1 GLN A 8 10.355 8.244 -4.507 1.00 0.00 O ATOM 117 NE2 GLN A 8 10.114 10.370 -3.843 1.00 0.00 N ATOM 0 H GLN A 8 10.918 6.385 0.125 1.00 0.00 H new ATOM 0 HA GLN A 8 8.207 7.501 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.120 6.511 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.509 7.154 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.314 9.337 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.934 8.668 -1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.947 11.018 -3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.248 10.725 -4.790 1.00 0.00 H new ATOM 126 N VAL A 9 7.484 5.161 0.210 1.00 0.00 N ATOM 127 CA VAL A 9 6.915 3.831 0.335 1.00 0.00 C ATOM 128 C VAL A 9 5.874 3.596 -0.750 1.00 0.00 C ATOM 129 O VAL A 9 4.998 4.428 -0.974 1.00 0.00 O ATOM 130 CB VAL A 9 6.271 3.628 1.722 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.667 2.238 1.850 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.293 3.872 2.821 1.00 0.00 C ATOM 0 H VAL A 9 7.014 5.874 0.768 1.00 0.00 H new ATOM 0 HA VAL A 9 7.726 3.111 0.221 1.00 0.00 H new ATOM 0 HB VAL A 9 5.464 4.353 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.221 2.125 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.900 2.103 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.447 1.489 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.823 3.725 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.122 3.173 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.667 4.893 2.750 1.00 0.00 H new ATOM 142 N THR A 10 5.974 2.466 -1.424 1.00 0.00 N ATOM 143 CA THR A 10 5.071 2.148 -2.513 1.00 0.00 C ATOM 144 C THR A 10 3.837 1.421 -1.991 1.00 0.00 C ATOM 145 O THR A 10 3.923 0.271 -1.552 1.00 0.00 O ATOM 146 CB THR A 10 5.779 1.283 -3.571 1.00 0.00 C ATOM 147 OG1 THR A 10 7.063 1.850 -3.874 1.00 0.00 O ATOM 148 CG2 THR A 10 4.951 1.187 -4.844 1.00 0.00 C ATOM 0 H THR A 10 6.675 1.750 -1.235 1.00 0.00 H new ATOM 0 HA THR A 10 4.759 3.084 -2.977 1.00 0.00 H new ATOM 0 HB THR A 10 5.903 0.279 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.514 1.298 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.476 0.570 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.985 0.737 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.799 2.185 -5.255 1.00 0.00 H new ATOM 156 N VAL A 11 2.702 2.103 -2.009 1.00 0.00 N ATOM 157 CA VAL A 11 1.449 1.508 -1.581 1.00 0.00 C ATOM 158 C VAL A 11 0.666 1.011 -2.787 1.00 0.00 C ATOM 159 O VAL A 11 0.193 1.804 -3.608 1.00 0.00 O ATOM 160 CB VAL A 11 0.586 2.503 -0.775 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.723 1.859 -0.341 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.354 3.018 0.434 1.00 0.00 C ATOM 0 H VAL A 11 2.625 3.072 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 11 1.692 0.669 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 11 0.350 3.348 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.313 2.580 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.283 1.543 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.512 0.992 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.730 3.718 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.623 2.181 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.260 3.525 0.101 1.00 0.00 H new ATOM 172 N ASN A 12 0.553 -0.305 -2.890 1.00 0.00 N ATOM 173 CA ASN A 12 -0.137 -0.943 -4.002 1.00 0.00 C ATOM 174 C ASN A 12 -1.521 -1.397 -3.572 1.00 0.00 C ATOM 175 O ASN A 12 -1.654 -2.236 -2.684 1.00 0.00 O ATOM 176 CB ASN A 12 0.661 -2.154 -4.504 1.00 0.00 C ATOM 177 CG ASN A 12 1.965 -1.772 -5.176 1.00 0.00 C ATOM 178 OD1 ASN A 12 2.062 -0.731 -5.823 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.980 -2.611 -5.024 1.00 0.00 N ATOM 0 H ASN A 12 0.936 -0.959 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.230 -0.215 -4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.873 -2.815 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.049 -2.718 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.882 -2.403 -5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.859 -3.465 -4.479 1.00 0.00 H new ATOM 186 N TYR A 13 -2.549 -0.839 -4.191 1.00 0.00 N ATOM 187 CA TYR A 13 -3.917 -1.242 -3.898 1.00 0.00 C ATOM 188 C TYR A 13 -4.329 -2.399 -4.794 1.00 0.00 C ATOM 189 O TYR A 13 -4.708 -2.199 -5.951 1.00 0.00 O ATOM 190 CB TYR A 13 -4.883 -0.071 -4.077 1.00 0.00 C ATOM 191 CG TYR A 13 -4.722 1.019 -3.044 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.365 0.932 -1.819 1.00 0.00 C ATOM 193 CD2 TYR A 13 -3.934 2.135 -3.295 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.230 1.925 -0.872 1.00 0.00 C ATOM 195 CE2 TYR A 13 -3.793 3.131 -2.351 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.444 3.022 -1.142 1.00 0.00 C ATOM 197 OH TYR A 13 -4.310 4.011 -0.197 1.00 0.00 O ATOM 0 H TYR A 13 -2.464 -0.108 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.959 -1.565 -2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.739 0.358 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.905 -0.447 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.982 0.072 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.424 2.224 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.739 1.842 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.175 3.992 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.520 3.648 0.689 1.00 0.00 H new ATOM 207 N LEU A 14 -4.240 -3.608 -4.263 1.00 0.00 N ATOM 208 CA LEU A 14 -4.556 -4.792 -5.035 1.00 0.00 C ATOM 209 C LEU A 14 -5.991 -5.231 -4.786 1.00 0.00 C ATOM 210 O LEU A 14 -6.455 -5.284 -3.647 1.00 0.00 O ATOM 211 CB LEU A 14 -3.573 -5.921 -4.717 1.00 0.00 C ATOM 212 CG LEU A 14 -2.105 -5.575 -4.980 1.00 0.00 C ATOM 213 CD1 LEU A 14 -1.203 -6.763 -4.697 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.909 -5.093 -6.408 1.00 0.00 C ATOM 0 H LEU A 14 -3.952 -3.792 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.459 -4.548 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.686 -6.200 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.839 -6.796 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.830 -4.768 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.167 -6.488 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.309 -7.060 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.485 -7.596 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.858 -4.853 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.214 -5.877 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.514 -4.203 -6.578 1.00 0.00 H new ATOM 226 N ASP A 15 -6.670 -5.539 -5.875 1.00 0.00 N ATOM 227 CA ASP A 15 -8.094 -5.885 -5.866 1.00 0.00 C ATOM 228 C ASP A 15 -8.369 -7.137 -5.036 1.00 0.00 C ATOM 229 O ASP A 15 -9.160 -7.100 -4.095 1.00 0.00 O ATOM 230 CB ASP A 15 -8.581 -6.045 -7.323 1.00 0.00 C ATOM 231 CG ASP A 15 -9.393 -7.302 -7.600 1.00 0.00 C ATOM 232 OD1 ASP A 15 -8.779 -8.347 -7.919 1.00 0.00 O ATOM 233 OD2 ASP A 15 -10.640 -7.239 -7.556 1.00 0.00 O ATOM 0 H ASP A 15 -6.251 -5.559 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.653 -5.079 -5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.185 -5.176 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.713 -6.040 -7.982 1.00 0.00 H new ATOM 238 N GLU A 16 -7.685 -8.216 -5.388 1.00 0.00 N ATOM 239 CA GLU A 16 -7.845 -9.519 -4.745 1.00 0.00 C ATOM 240 C GLU A 16 -7.098 -10.540 -5.586 1.00 0.00 C ATOM 241 O GLU A 16 -6.471 -11.466 -5.075 1.00 0.00 O ATOM 242 CB GLU A 16 -9.331 -9.902 -4.634 1.00 0.00 C ATOM 243 CG GLU A 16 -9.614 -11.080 -3.712 1.00 0.00 C ATOM 244 CD GLU A 16 -9.653 -12.411 -4.433 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.606 -12.645 -5.200 1.00 0.00 O ATOM 246 OE2 GLU A 16 -8.754 -13.246 -4.215 1.00 0.00 O ATOM 0 H GLU A 16 -6.993 -8.215 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.444 -9.486 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.890 -9.037 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.707 -10.138 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.849 -11.117 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.568 -10.919 -3.211 1.00 0.00 H new ATOM 253 N ASN A 17 -7.150 -10.324 -6.895 1.00 0.00 N ATOM 254 CA ASN A 17 -6.425 -11.144 -7.857 1.00 0.00 C ATOM 255 C ASN A 17 -5.017 -10.595 -8.058 1.00 0.00 C ATOM 256 O ASN A 17 -4.372 -10.869 -9.071 1.00 0.00 O ATOM 257 CB ASN A 17 -7.166 -11.165 -9.199 1.00 0.00 C ATOM 258 CG ASN A 17 -8.580 -11.700 -9.080 1.00 0.00 C ATOM 259 OD1 ASN A 17 -8.817 -12.900 -9.221 1.00 0.00 O ATOM 260 ND2 ASN A 17 -9.529 -10.817 -8.810 1.00 0.00 N ATOM 0 H ASN A 17 -7.697 -9.575 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.361 -12.161 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.198 -10.155 -9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.609 -11.778 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.497 -11.123 -8.712 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.292 -9.831 -8.700 1.00 0.00 H new ATOM 267 N ASN A 18 -4.554 -9.817 -7.075 1.00 0.00 N ATOM 268 CA ASN A 18 -3.234 -9.177 -7.110 1.00 0.00 C ATOM 269 C ASN A 18 -3.152 -8.121 -8.208 1.00 0.00 C ATOM 270 O ASN A 18 -2.063 -7.669 -8.567 1.00 0.00 O ATOM 271 CB ASN A 18 -2.118 -10.210 -7.293 1.00 0.00 C ATOM 272 CG ASN A 18 -1.962 -11.119 -6.092 1.00 0.00 C ATOM 273 OD1 ASN A 18 -2.203 -10.716 -4.954 1.00 0.00 O ATOM 274 ND2 ASN A 18 -1.560 -12.354 -6.337 1.00 0.00 N ATOM 0 H ASN A 18 -5.086 -9.612 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.096 -8.683 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.328 -10.814 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.176 -9.693 -7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.439 -13.013 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.371 -12.648 -7.295 1.00 0.00 H new ATOM 281 N THR A 19 -4.302 -7.721 -8.729 1.00 0.00 N ATOM 282 CA THR A 19 -4.364 -6.681 -9.741 1.00 0.00 C ATOM 283 C THR A 19 -4.479 -5.310 -9.081 1.00 0.00 C ATOM 284 O THR A 19 -5.360 -5.095 -8.249 1.00 0.00 O ATOM 285 CB THR A 19 -5.576 -6.892 -10.666 1.00 0.00 C ATOM 286 OG1 THR A 19 -5.707 -8.284 -10.989 1.00 0.00 O ATOM 287 CG2 THR A 19 -5.430 -6.082 -11.946 1.00 0.00 C ATOM 0 H THR A 19 -5.209 -8.105 -8.465 1.00 0.00 H new ATOM 0 HA THR A 19 -3.449 -6.732 -10.331 1.00 0.00 H new ATOM 0 HB THR A 19 -6.469 -6.553 -10.141 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.481 -8.412 -11.576 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.299 -6.248 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.358 -5.023 -11.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.529 -6.394 -12.473 1.00 0.00 H new ATOM 295 N SER A 20 -3.582 -4.399 -9.430 1.00 0.00 N ATOM 296 CA SER A 20 -3.620 -3.048 -8.886 1.00 0.00 C ATOM 297 C SER A 20 -4.717 -2.243 -9.580 1.00 0.00 C ATOM 298 O SER A 20 -4.599 -1.892 -10.755 1.00 0.00 O ATOM 299 CB SER A 20 -2.255 -2.370 -9.052 1.00 0.00 C ATOM 300 OG SER A 20 -2.199 -1.127 -8.372 1.00 0.00 O ATOM 0 H SER A 20 -2.820 -4.570 -10.086 1.00 0.00 H new ATOM 0 HA SER A 20 -3.846 -3.096 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.474 -3.028 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.053 -2.214 -10.112 1.00 0.00 H new ATOM 0 HG SER A 20 -1.314 -0.724 -8.498 1.00 0.00 H new ATOM 306 N ILE A 21 -5.795 -1.974 -8.855 1.00 0.00 N ATOM 307 CA ILE A 21 -6.947 -1.282 -9.426 1.00 0.00 C ATOM 308 C ILE A 21 -6.898 0.212 -9.133 1.00 0.00 C ATOM 309 O ILE A 21 -7.669 0.993 -9.693 1.00 0.00 O ATOM 310 CB ILE A 21 -8.276 -1.862 -8.903 1.00 0.00 C ATOM 311 CG1 ILE A 21 -8.313 -1.827 -7.368 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.464 -3.280 -9.419 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.623 -2.309 -6.777 1.00 0.00 C ATOM 0 H ILE A 21 -5.897 -2.223 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.899 -1.435 -10.504 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.098 -1.248 -9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.502 -2.443 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.127 -0.807 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.406 -3.682 -9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.481 -3.271 -10.509 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.640 -3.905 -9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.573 -2.255 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.437 -1.679 -7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.802 -3.340 -7.081 1.00 0.00 H new ATOM 325 N ALA A 22 -5.990 0.603 -8.258 1.00 0.00 N ATOM 326 CA ALA A 22 -5.817 2.002 -7.918 1.00 0.00 C ATOM 327 C ALA A 22 -4.357 2.385 -8.068 1.00 0.00 C ATOM 328 O ALA A 22 -3.475 1.617 -7.686 1.00 0.00 O ATOM 329 CB ALA A 22 -6.308 2.277 -6.503 1.00 0.00 C ATOM 0 H ALA A 22 -5.359 -0.032 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.412 2.610 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.169 3.332 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.366 2.025 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.741 1.671 -5.797 1.00 0.00 H new ATOM 335 N PRO A 23 -4.086 3.564 -8.647 1.00 0.00 N ATOM 336 CA PRO A 23 -2.722 4.045 -8.874 1.00 0.00 C ATOM 337 C PRO A 23 -1.869 3.985 -7.614 1.00 0.00 C ATOM 338 O PRO A 23 -2.195 4.616 -6.604 1.00 0.00 O ATOM 339 CB PRO A 23 -2.922 5.493 -9.322 1.00 0.00 C ATOM 340 CG PRO A 23 -4.284 5.515 -9.920 1.00 0.00 C ATOM 341 CD PRO A 23 -5.094 4.523 -9.133 1.00 0.00 C ATOM 0 HA PRO A 23 -2.191 3.433 -9.603 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.847 6.182 -8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.165 5.792 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.721 6.512 -9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.252 5.244 -10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.623 5.001 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.845 4.035 -9.754 1.00 0.00 H new ATOM 349 N SER A 24 -0.803 3.196 -7.681 1.00 0.00 N ATOM 350 CA SER A 24 0.141 3.063 -6.583 1.00 0.00 C ATOM 351 C SER A 24 0.619 4.432 -6.116 1.00 0.00 C ATOM 352 O SER A 24 1.158 5.215 -6.903 1.00 0.00 O ATOM 353 CB SER A 24 1.336 2.220 -7.032 1.00 0.00 C ATOM 354 OG SER A 24 0.914 0.961 -7.534 1.00 0.00 O ATOM 0 H SER A 24 -0.571 2.632 -8.498 1.00 0.00 H new ATOM 0 HA SER A 24 -0.360 2.570 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.893 2.754 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.016 2.071 -6.193 1.00 0.00 H new ATOM 0 HG SER A 24 1.371 0.244 -7.046 1.00 0.00 H new ATOM 360 N LEU A 25 0.416 4.724 -4.843 1.00 0.00 N ATOM 361 CA LEU A 25 0.804 6.018 -4.308 1.00 0.00 C ATOM 362 C LEU A 25 2.035 5.876 -3.430 1.00 0.00 C ATOM 363 O LEU A 25 2.307 4.799 -2.894 1.00 0.00 O ATOM 364 CB LEU A 25 -0.363 6.680 -3.549 1.00 0.00 C ATOM 365 CG LEU A 25 -0.968 5.885 -2.383 1.00 0.00 C ATOM 366 CD1 LEU A 25 -0.140 6.043 -1.116 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.399 6.331 -2.136 1.00 0.00 C ATOM 0 H LEU A 25 -0.010 4.091 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 25 1.057 6.675 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.017 7.639 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.157 6.892 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.964 4.829 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.595 5.468 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.872 5.679 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.103 7.095 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.820 5.762 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.412 7.393 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.994 6.159 -3.033 1.00 0.00 H new ATOM 379 N TYR A 26 2.785 6.955 -3.301 1.00 0.00 N ATOM 380 CA TYR A 26 3.993 6.935 -2.502 1.00 0.00 C ATOM 381 C TYR A 26 3.747 7.537 -1.130 1.00 0.00 C ATOM 382 O TYR A 26 3.611 8.753 -0.980 1.00 0.00 O ATOM 383 CB TYR A 26 5.134 7.661 -3.216 1.00 0.00 C ATOM 384 CG TYR A 26 5.594 6.950 -4.469 1.00 0.00 C ATOM 385 CD1 TYR A 26 6.300 5.757 -4.389 1.00 0.00 C ATOM 386 CD2 TYR A 26 5.313 7.465 -5.728 1.00 0.00 C ATOM 387 CE1 TYR A 26 6.714 5.096 -5.529 1.00 0.00 C ATOM 388 CE2 TYR A 26 5.723 6.808 -6.872 1.00 0.00 C ATOM 389 CZ TYR A 26 6.423 5.626 -6.767 1.00 0.00 C ATOM 390 OH TYR A 26 6.831 4.971 -7.906 1.00 0.00 O ATOM 0 H TYR A 26 2.579 7.853 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 26 4.287 5.894 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.810 8.669 -3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.977 7.763 -2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.529 5.339 -3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.766 8.392 -5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.263 4.169 -5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.496 7.219 -7.844 1.00 0.00 H new ATOM 0 HH TYR A 26 6.545 5.477 -8.695 1.00 0.00 H new ATOM 400 N LEU A 27 3.661 6.664 -0.140 1.00 0.00 N ATOM 401 CA LEU A 27 3.539 7.071 1.245 1.00 0.00 C ATOM 402 C LEU A 27 4.879 7.624 1.708 1.00 0.00 C ATOM 403 O LEU A 27 5.875 6.899 1.755 1.00 0.00 O ATOM 404 CB LEU A 27 3.116 5.870 2.099 1.00 0.00 C ATOM 405 CG LEU A 27 2.953 6.132 3.599 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.792 7.075 3.866 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.753 4.820 4.339 1.00 0.00 C ATOM 0 H LEU A 27 3.674 5.653 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 27 2.778 7.845 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.170 5.491 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.854 5.079 1.967 1.00 0.00 H new ATOM 0 HG LEU A 27 3.863 6.609 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.699 7.243 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.972 8.025 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.870 6.634 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.638 5.017 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.858 4.323 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.619 4.177 4.180 1.00 0.00 H new ATOM 419 N SER A 28 4.914 8.908 2.009 1.00 0.00 N ATOM 420 CA SER A 28 6.161 9.566 2.334 1.00 0.00 C ATOM 421 C SER A 28 6.100 10.169 3.729 1.00 0.00 C ATOM 422 O SER A 28 5.020 10.448 4.256 1.00 0.00 O ATOM 423 CB SER A 28 6.469 10.647 1.294 1.00 0.00 C ATOM 424 OG SER A 28 7.821 11.069 1.373 1.00 0.00 O ATOM 0 H SER A 28 4.094 9.514 2.035 1.00 0.00 H new ATOM 0 HA SER A 28 6.961 8.826 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.264 10.262 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.810 11.501 1.448 1.00 0.00 H new ATOM 0 HG SER A 28 8.407 10.284 1.405 1.00 0.00 H new ATOM 430 N GLY A 29 7.263 10.355 4.328 1.00 0.00 N ATOM 431 CA GLY A 29 7.331 10.900 5.660 1.00 0.00 C ATOM 432 C GLY A 29 8.754 11.124 6.105 1.00 0.00 C ATOM 433 O GLY A 29 9.664 11.216 5.277 1.00 0.00 O ATOM 0 H GLY A 29 8.167 10.136 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.787 11.844 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.836 10.222 6.355 1.00 0.00 H new ATOM 437 N LEU A 30 8.950 11.201 7.406 1.00 0.00 N ATOM 438 CA LEU A 30 10.270 11.450 7.960 1.00 0.00 C ATOM 439 C LEU A 30 10.902 10.147 8.422 1.00 0.00 C ATOM 440 O LEU A 30 10.207 9.156 8.635 1.00 0.00 O ATOM 441 CB LEU A 30 10.173 12.439 9.121 1.00 0.00 C ATOM 442 CG LEU A 30 9.512 13.774 8.770 1.00 0.00 C ATOM 443 CD1 LEU A 30 9.430 14.665 9.995 1.00 0.00 C ATOM 444 CD2 LEU A 30 10.274 14.473 7.652 1.00 0.00 C ATOM 0 H LEU A 30 8.212 11.095 8.102 1.00 0.00 H new ATOM 0 HA LEU A 30 10.902 11.883 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.612 11.973 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.177 12.634 9.499 1.00 0.00 H new ATOM 0 HG LEU A 30 8.499 13.573 8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.957 15.610 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.840 14.170 10.766 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.434 14.856 10.374 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.788 15.420 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.299 14.661 7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.281 13.839 6.765 1.00 0.00 H new ATOM 456 N PHE A 31 12.217 10.141 8.568 1.00 0.00 N ATOM 457 CA PHE A 31 12.923 8.944 8.998 1.00 0.00 C ATOM 458 C PHE A 31 12.519 8.578 10.424 1.00 0.00 C ATOM 459 O PHE A 31 12.409 9.455 11.282 1.00 0.00 O ATOM 460 CB PHE A 31 14.438 9.158 8.910 1.00 0.00 C ATOM 461 CG PHE A 31 15.246 7.936 9.250 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.395 6.910 8.329 1.00 0.00 C ATOM 463 CD2 PHE A 31 15.851 7.811 10.490 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.132 5.784 8.639 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.588 6.686 10.806 1.00 0.00 C ATOM 466 CZ PHE A 31 16.729 5.671 9.880 1.00 0.00 C ATOM 0 H PHE A 31 12.816 10.948 8.396 1.00 0.00 H new ATOM 0 HA PHE A 31 12.651 8.121 8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.692 9.480 7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.721 9.967 9.583 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.929 6.992 7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 31 15.745 8.602 11.218 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.242 4.993 7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.054 6.600 11.777 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.305 4.791 10.125 1.00 0.00 H new ATOM 476 N ASN A 32 12.267 7.289 10.653 1.00 0.00 N ATOM 477 CA ASN A 32 11.893 6.774 11.977 1.00 0.00 C ATOM 478 C ASN A 32 10.474 7.216 12.358 1.00 0.00 C ATOM 479 O ASN A 32 10.067 7.133 13.515 1.00 0.00 O ATOM 480 CB ASN A 32 12.901 7.229 13.048 1.00 0.00 C ATOM 481 CG ASN A 32 12.706 6.530 14.383 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.346 5.353 14.435 1.00 0.00 O ATOM 483 ND2 ASN A 32 12.924 7.253 15.469 1.00 0.00 N ATOM 0 H ASN A 32 12.315 6.571 9.930 1.00 0.00 H new ATOM 0 HA ASN A 32 11.911 5.685 11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.913 7.040 12.690 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.809 8.306 13.191 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.795 6.839 16.392 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.221 8.225 15.383 1.00 0.00 H new ATOM 490 N GLU A 33 9.716 7.676 11.375 1.00 0.00 N ATOM 491 CA GLU A 33 8.340 8.086 11.612 1.00 0.00 C ATOM 492 C GLU A 33 7.403 6.899 11.425 1.00 0.00 C ATOM 493 O GLU A 33 7.422 6.241 10.383 1.00 0.00 O ATOM 494 CB GLU A 33 7.966 9.240 10.676 1.00 0.00 C ATOM 495 CG GLU A 33 6.498 9.629 10.717 1.00 0.00 C ATOM 496 CD GLU A 33 6.194 10.823 9.837 1.00 0.00 C ATOM 497 OE1 GLU A 33 6.317 10.704 8.599 1.00 0.00 O ATOM 498 OE2 GLU A 33 5.834 11.888 10.379 1.00 0.00 O ATOM 0 H GLU A 33 10.028 7.775 10.409 1.00 0.00 H new ATOM 0 HA GLU A 33 8.241 8.438 12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.568 10.111 10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.228 8.963 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.891 8.782 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.213 9.856 11.744 1.00 0.00 H new ATOM 505 N ALA A 34 6.611 6.611 12.451 1.00 0.00 N ATOM 506 CA ALA A 34 5.661 5.508 12.399 1.00 0.00 C ATOM 507 C ALA A 34 4.449 5.893 11.565 1.00 0.00 C ATOM 508 O ALA A 34 3.731 6.841 11.891 1.00 0.00 O ATOM 509 CB ALA A 34 5.240 5.100 13.802 1.00 0.00 C ATOM 0 H ALA A 34 6.609 7.128 13.330 1.00 0.00 H new ATOM 0 HA ALA A 34 6.146 4.654 11.927 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.530 4.275 13.743 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.117 4.785 14.368 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.771 5.947 14.302 1.00 0.00 H new ATOM 515 N TYR A 35 4.222 5.157 10.493 1.00 0.00 N ATOM 516 CA TYR A 35 3.165 5.493 9.553 1.00 0.00 C ATOM 517 C TYR A 35 1.960 4.578 9.707 1.00 0.00 C ATOM 518 O TYR A 35 2.014 3.559 10.400 1.00 0.00 O ATOM 519 CB TYR A 35 3.692 5.421 8.118 1.00 0.00 C ATOM 520 CG TYR A 35 4.294 4.081 7.743 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.498 3.053 7.251 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.656 3.849 7.876 1.00 0.00 C ATOM 523 CE1 TYR A 35 4.043 1.833 6.904 1.00 0.00 C ATOM 524 CE2 TYR A 35 6.208 2.630 7.530 1.00 0.00 C ATOM 525 CZ TYR A 35 5.398 1.627 7.046 1.00 0.00 C ATOM 526 OH TYR A 35 5.944 0.411 6.703 1.00 0.00 O ATOM 0 H TYR A 35 4.755 4.322 10.250 1.00 0.00 H new ATOM 0 HA TYR A 35 2.842 6.511 9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.875 5.645 7.431 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.446 6.196 7.980 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.436 3.211 7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.294 4.633 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.411 1.044 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.270 2.465 7.639 1.00 0.00 H new ATOM 0 HH TYR A 35 6.720 0.553 6.122 1.00 0.00 H new ATOM 536 N ASN A 36 0.879 4.953 9.047 1.00 0.00 N ATOM 537 CA ASN A 36 -0.335 4.158 9.014 1.00 0.00 C ATOM 538 C ASN A 36 -0.790 4.044 7.566 1.00 0.00 C ATOM 539 O ASN A 36 -0.854 5.049 6.857 1.00 0.00 O ATOM 540 CB ASN A 36 -1.427 4.816 9.863 1.00 0.00 C ATOM 541 CG ASN A 36 -2.589 3.887 10.174 1.00 0.00 C ATOM 542 OD1 ASN A 36 -2.887 2.963 9.422 1.00 0.00 O ATOM 543 ND2 ASN A 36 -3.257 4.136 11.289 1.00 0.00 N ATOM 0 H ASN A 36 0.818 5.822 8.516 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.142 3.167 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.989 5.165 10.798 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.804 5.695 9.340 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.050 3.550 11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.978 4.913 11.888 1.00 0.00 H new ATOM 550 N VAL A 37 -1.093 2.839 7.117 1.00 0.00 N ATOM 551 CA VAL A 37 -1.405 2.618 5.713 1.00 0.00 C ATOM 552 C VAL A 37 -2.831 3.061 5.380 1.00 0.00 C ATOM 553 O VAL A 37 -3.799 2.626 6.010 1.00 0.00 O ATOM 554 CB VAL A 37 -1.185 1.143 5.297 1.00 0.00 C ATOM 555 CG1 VAL A 37 0.258 0.738 5.533 1.00 0.00 C ATOM 556 CG2 VAL A 37 -2.131 0.206 6.038 1.00 0.00 C ATOM 0 H VAL A 37 -1.130 2.002 7.699 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.713 3.233 5.138 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.405 1.060 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.397 -0.301 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.916 1.376 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.499 0.849 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.948 -0.821 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.960 0.290 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.162 0.477 5.813 1.00 0.00 H new ATOM 566 N PRO A 38 -2.974 3.967 4.403 1.00 0.00 N ATOM 567 CA PRO A 38 -4.279 4.456 3.965 1.00 0.00 C ATOM 568 C PRO A 38 -5.064 3.387 3.208 1.00 0.00 C ATOM 569 O PRO A 38 -4.574 2.818 2.229 1.00 0.00 O ATOM 570 CB PRO A 38 -3.934 5.631 3.049 1.00 0.00 C ATOM 571 CG PRO A 38 -2.557 5.346 2.556 1.00 0.00 C ATOM 572 CD PRO A 38 -1.864 4.593 3.658 1.00 0.00 C ATOM 0 HA PRO A 38 -4.917 4.737 4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.641 5.708 2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.972 6.577 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.586 4.756 1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.028 6.270 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.176 3.846 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.280 5.259 4.293 1.00 0.00 H new ATOM 580 N MET A 39 -6.274 3.110 3.663 1.00 0.00 N ATOM 581 CA MET A 39 -7.100 2.080 3.052 1.00 0.00 C ATOM 582 C MET A 39 -8.298 2.699 2.350 1.00 0.00 C ATOM 583 O MET A 39 -8.788 3.755 2.755 1.00 0.00 O ATOM 584 CB MET A 39 -7.579 1.076 4.103 1.00 0.00 C ATOM 585 CG MET A 39 -6.452 0.368 4.839 1.00 0.00 C ATOM 586 SD MET A 39 -7.053 -0.864 6.010 1.00 0.00 S ATOM 587 CE MET A 39 -5.516 -1.400 6.758 1.00 0.00 C ATOM 0 H MET A 39 -6.708 3.584 4.455 1.00 0.00 H new ATOM 0 HA MET A 39 -6.491 1.556 2.315 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.204 1.596 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.208 0.330 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.797 -0.115 4.114 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.851 1.106 5.370 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.723 -2.165 7.507 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.862 -1.812 5.990 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.027 -0.550 7.233 1.00 0.00 H new ATOM 597 N LYS A 40 -8.764 2.042 1.297 1.00 0.00 N ATOM 598 CA LYS A 40 -9.924 2.503 0.551 1.00 0.00 C ATOM 599 C LYS A 40 -10.954 1.388 0.437 1.00 0.00 C ATOM 600 O LYS A 40 -10.598 0.219 0.283 1.00 0.00 O ATOM 601 CB LYS A 40 -9.522 2.962 -0.855 1.00 0.00 C ATOM 602 CG LYS A 40 -8.491 4.076 -0.879 1.00 0.00 C ATOM 603 CD LYS A 40 -8.211 4.538 -2.300 1.00 0.00 C ATOM 604 CE LYS A 40 -7.125 5.602 -2.344 1.00 0.00 C ATOM 605 NZ LYS A 40 -7.471 6.786 -1.516 1.00 0.00 N ATOM 0 H LYS A 40 -8.351 1.181 0.939 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.355 3.347 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.128 2.107 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.414 3.297 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.847 4.917 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.566 3.729 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.909 3.685 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.126 4.934 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.186 5.176 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.966 5.915 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.793 7.552 -1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.431 7.107 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.431 6.529 -0.509 1.00 0.00 H new ATOM 619 N LYS A 41 -12.223 1.740 0.529 1.00 0.00 N ATOM 620 CA LYS A 41 -13.288 0.772 0.334 1.00 0.00 C ATOM 621 C LYS A 41 -13.795 0.870 -1.098 1.00 0.00 C ATOM 622 O LYS A 41 -14.669 1.680 -1.411 1.00 0.00 O ATOM 623 CB LYS A 41 -14.426 1.002 1.334 1.00 0.00 C ATOM 624 CG LYS A 41 -15.533 -0.040 1.255 1.00 0.00 C ATOM 625 CD LYS A 41 -16.551 0.107 2.385 1.00 0.00 C ATOM 626 CE LYS A 41 -17.476 1.308 2.202 1.00 0.00 C ATOM 627 NZ LYS A 41 -16.789 2.610 2.427 1.00 0.00 N ATOM 0 H LYS A 41 -12.542 2.686 0.737 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.898 -0.231 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.015 1.006 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.856 1.989 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.043 0.048 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.094 -1.037 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.151 -0.801 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.022 0.204 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.890 1.291 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.315 1.222 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.416 3.246 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.915 2.452 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.555 3.042 1.510 1.00 0.00 H new ATOM 641 N ILE A 42 -13.211 0.065 -1.970 1.00 0.00 N ATOM 642 CA ILE A 42 -13.513 0.129 -3.390 1.00 0.00 C ATOM 643 C ILE A 42 -14.432 -1.013 -3.804 1.00 0.00 C ATOM 644 O ILE A 42 -14.114 -2.176 -3.583 1.00 0.00 O ATOM 645 CB ILE A 42 -12.221 0.080 -4.237 1.00 0.00 C ATOM 646 CG1 ILE A 42 -11.256 1.190 -3.802 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.548 0.209 -5.718 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.921 1.157 -4.519 1.00 0.00 C ATOM 0 H ILE A 42 -12.522 -0.644 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.019 1.077 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.738 -0.883 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.727 2.157 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.083 1.108 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.626 0.172 -6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.200 -0.611 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.053 1.158 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.294 1.972 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.427 0.205 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.081 1.270 -5.591 1.00 0.00 H new ATOM 660 N LYS A 43 -15.583 -0.660 -4.374 1.00 0.00 N ATOM 661 CA LYS A 43 -16.521 -1.635 -4.942 1.00 0.00 C ATOM 662 C LYS A 43 -17.014 -2.644 -3.903 1.00 0.00 C ATOM 663 O LYS A 43 -17.371 -3.773 -4.245 1.00 0.00 O ATOM 664 CB LYS A 43 -15.873 -2.374 -6.117 1.00 0.00 C ATOM 665 CG LYS A 43 -15.500 -1.464 -7.273 1.00 0.00 C ATOM 666 CD LYS A 43 -14.923 -2.248 -8.439 1.00 0.00 C ATOM 667 CE LYS A 43 -14.679 -1.348 -9.639 1.00 0.00 C ATOM 668 NZ LYS A 43 -15.904 -0.591 -10.010 1.00 0.00 N ATOM 0 H LYS A 43 -15.894 0.308 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.388 -1.075 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.978 -2.886 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.559 -3.142 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.382 -0.915 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.773 -0.725 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.987 -2.718 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.607 -3.050 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.873 -0.650 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.352 -1.950 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.831 -0.276 -10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.737 -1.204 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.002 0.237 -9.389 1.00 0.00 H new ATOM 682 N GLY A 44 -17.079 -2.220 -2.650 1.00 0.00 N ATOM 683 CA GLY A 44 -17.512 -3.106 -1.593 1.00 0.00 C ATOM 684 C GLY A 44 -16.499 -4.191 -1.297 1.00 0.00 C ATOM 685 O GLY A 44 -16.853 -5.359 -1.155 1.00 0.00 O ATOM 0 H GLY A 44 -16.839 -1.276 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.694 -2.526 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.460 -3.565 -1.873 1.00 0.00 H new ATOM 689 N TYR A 45 -15.235 -3.810 -1.223 1.00 0.00 N ATOM 690 CA TYR A 45 -14.183 -4.742 -0.856 1.00 0.00 C ATOM 691 C TYR A 45 -13.873 -4.641 0.629 1.00 0.00 C ATOM 692 O TYR A 45 -14.264 -3.683 1.297 1.00 0.00 O ATOM 693 CB TYR A 45 -12.900 -4.482 -1.653 1.00 0.00 C ATOM 694 CG TYR A 45 -12.952 -4.929 -3.098 1.00 0.00 C ATOM 695 CD1 TYR A 45 -14.028 -5.655 -3.593 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.912 -4.626 -3.966 1.00 0.00 C ATOM 697 CE1 TYR A 45 -14.065 -6.066 -4.910 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.942 -5.030 -5.286 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.020 -5.750 -5.752 1.00 0.00 C ATOM 700 OH TYR A 45 -13.051 -6.158 -7.066 1.00 0.00 O ATOM 0 H TYR A 45 -14.912 -2.861 -1.412 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.545 -5.744 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.681 -3.415 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.072 -4.991 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.849 -5.902 -2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.064 -4.064 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.908 -6.632 -5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.126 -4.783 -5.949 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.155 -6.445 -7.341 1.00 0.00 H new ATOM 710 N THR A 46 -13.190 -5.645 1.134 1.00 0.00 N ATOM 711 CA THR A 46 -12.689 -5.640 2.493 1.00 0.00 C ATOM 712 C THR A 46 -11.297 -6.246 2.492 1.00 0.00 C ATOM 713 O THR A 46 -11.054 -7.209 1.774 1.00 0.00 O ATOM 714 CB THR A 46 -13.628 -6.428 3.431 1.00 0.00 C ATOM 715 OG1 THR A 46 -14.902 -5.772 3.486 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.057 -6.543 4.837 1.00 0.00 C ATOM 0 H THR A 46 -12.965 -6.492 0.612 1.00 0.00 H new ATOM 0 HA THR A 46 -12.647 -4.616 2.864 1.00 0.00 H new ATOM 0 HB THR A 46 -13.735 -7.436 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.501 -6.271 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.748 -7.104 5.466 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.099 -7.061 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.915 -5.546 5.255 1.00 0.00 H new ATOM 724 N LEU A 47 -10.381 -5.656 3.254 1.00 0.00 N ATOM 725 CA LEU A 47 -8.992 -6.105 3.273 1.00 0.00 C ATOM 726 C LEU A 47 -8.900 -7.607 3.503 1.00 0.00 C ATOM 727 O LEU A 47 -9.466 -8.138 4.460 1.00 0.00 O ATOM 728 CB LEU A 47 -8.204 -5.371 4.362 1.00 0.00 C ATOM 729 CG LEU A 47 -6.707 -5.690 4.410 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.009 -5.187 3.156 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.072 -5.085 5.651 1.00 0.00 C ATOM 0 H LEU A 47 -10.576 -4.865 3.867 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.560 -5.876 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.326 -4.298 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.642 -5.613 5.330 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.591 -6.773 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.947 -5.424 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.443 -5.668 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.136 -4.107 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.008 -5.322 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.202 -4.003 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.549 -5.495 6.541 1.00 0.00 H new ATOM 743 N LEU A 48 -8.204 -8.286 2.604 1.00 0.00 N ATOM 744 CA LEU A 48 -7.953 -9.705 2.756 1.00 0.00 C ATOM 745 C LEU A 48 -6.942 -9.911 3.869 1.00 0.00 C ATOM 746 O LEU A 48 -7.226 -10.560 4.877 1.00 0.00 O ATOM 747 CB LEU A 48 -7.415 -10.292 1.445 1.00 0.00 C ATOM 748 CG LEU A 48 -7.082 -11.786 1.480 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.332 -12.609 1.742 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.425 -12.213 0.178 1.00 0.00 C ATOM 0 H LEU A 48 -7.804 -7.874 1.761 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.884 -10.214 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.152 -10.120 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.516 -9.744 1.163 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.381 -11.963 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.073 -13.668 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.762 -12.322 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.059 -12.429 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.194 -13.278 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.104 -12.020 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.504 -11.648 0.033 1.00 0.00 H new ATOM 762 N LYS A 49 -5.780 -9.302 3.678 1.00 0.00 N ATOM 763 CA LYS A 49 -4.650 -9.427 4.586 1.00 0.00 C ATOM 764 C LYS A 49 -3.416 -8.852 3.912 1.00 0.00 C ATOM 765 O LYS A 49 -3.208 -9.062 2.717 1.00 0.00 O ATOM 766 CB LYS A 49 -4.387 -10.898 4.946 1.00 0.00 C ATOM 767 CG LYS A 49 -3.218 -11.098 5.895 1.00 0.00 C ATOM 768 CD LYS A 49 -2.937 -12.570 6.141 1.00 0.00 C ATOM 769 CE LYS A 49 -1.730 -12.759 7.045 1.00 0.00 C ATOM 770 NZ LYS A 49 -0.480 -12.232 6.431 1.00 0.00 N ATOM 0 H LYS A 49 -5.594 -8.699 2.877 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.878 -8.885 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.286 -11.318 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.199 -11.458 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.329 -10.622 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.431 -10.605 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.811 -13.038 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.764 -13.073 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.907 -12.255 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.606 -13.819 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.322 -12.413 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.314 -12.707 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.575 -11.208 6.275 1.00 0.00 H new ATOM 784 N TYR A 50 -2.612 -8.115 4.654 1.00 0.00 N ATOM 785 CA TYR A 50 -1.327 -7.687 4.135 1.00 0.00 C ATOM 786 C TYR A 50 -0.265 -8.715 4.507 1.00 0.00 C ATOM 787 O TYR A 50 -0.540 -9.641 5.275 1.00 0.00 O ATOM 788 CB TYR A 50 -0.946 -6.271 4.602 1.00 0.00 C ATOM 789 CG TYR A 50 -1.374 -5.916 6.006 1.00 0.00 C ATOM 790 CD1 TYR A 50 -0.674 -6.375 7.111 1.00 0.00 C ATOM 791 CD2 TYR A 50 -2.472 -5.093 6.219 1.00 0.00 C ATOM 792 CE1 TYR A 50 -1.058 -6.025 8.390 1.00 0.00 C ATOM 793 CE2 TYR A 50 -2.864 -4.742 7.494 1.00 0.00 C ATOM 794 CZ TYR A 50 -2.152 -5.210 8.576 1.00 0.00 C ATOM 795 OH TYR A 50 -2.531 -4.858 9.849 1.00 0.00 O ATOM 0 H TYR A 50 -2.820 -7.804 5.603 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.397 -7.628 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.136 -6.162 4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.384 -5.549 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.184 -7.016 6.969 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.029 -4.721 5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.502 -6.389 9.242 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.723 -4.105 7.643 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.320 -4.279 9.807 1.00 0.00 H new ATOM 805 N ASP A 51 0.929 -8.554 3.948 1.00 0.00 N ATOM 806 CA ASP A 51 1.996 -9.552 4.068 1.00 0.00 C ATOM 807 C ASP A 51 2.188 -10.037 5.501 1.00 0.00 C ATOM 808 O ASP A 51 2.152 -11.239 5.766 1.00 0.00 O ATOM 809 CB ASP A 51 3.307 -8.997 3.515 1.00 0.00 C ATOM 810 CG ASP A 51 3.365 -9.060 2.004 1.00 0.00 C ATOM 811 OD1 ASP A 51 3.373 -10.181 1.457 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.392 -7.993 1.350 1.00 0.00 O ATOM 0 H ASP A 51 1.188 -7.733 3.400 1.00 0.00 H new ATOM 0 HA ASP A 51 1.691 -10.416 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.426 -7.963 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.142 -9.560 3.932 1.00 0.00 H new ATOM 817 N SER A 52 2.383 -9.113 6.424 1.00 0.00 N ATOM 818 CA SER A 52 2.535 -9.469 7.827 1.00 0.00 C ATOM 819 C SER A 52 1.841 -8.449 8.720 1.00 0.00 C ATOM 820 O SER A 52 0.708 -8.663 9.159 1.00 0.00 O ATOM 821 CB SER A 52 4.018 -9.587 8.175 1.00 0.00 C ATOM 822 OG SER A 52 4.771 -8.577 7.521 1.00 0.00 O ATOM 0 H SER A 52 2.440 -8.113 6.231 1.00 0.00 H new ATOM 0 HA SER A 52 2.061 -10.435 8.000 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.151 -9.505 9.254 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.388 -10.570 7.882 1.00 0.00 H new ATOM 0 HG SER A 52 5.717 -8.669 7.758 1.00 0.00 H new ATOM 828 N GLU A 53 2.520 -7.342 8.973 1.00 0.00 N ATOM 829 CA GLU A 53 1.950 -6.238 9.727 1.00 0.00 C ATOM 830 C GLU A 53 2.414 -4.916 9.141 1.00 0.00 C ATOM 831 O GLU A 53 3.360 -4.876 8.355 1.00 0.00 O ATOM 832 CB GLU A 53 2.322 -6.307 11.213 1.00 0.00 C ATOM 833 CG GLU A 53 1.618 -7.418 11.977 1.00 0.00 C ATOM 834 CD GLU A 53 1.768 -7.275 13.477 1.00 0.00 C ATOM 835 OE1 GLU A 53 2.876 -7.523 13.993 1.00 0.00 O ATOM 836 OE2 GLU A 53 0.775 -6.916 14.146 1.00 0.00 O ATOM 0 H GLU A 53 3.479 -7.184 8.663 1.00 0.00 H new ATOM 0 HA GLU A 53 0.865 -6.314 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.400 -6.446 11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.085 -5.352 11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.559 -7.417 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.021 -8.381 11.665 1.00 0.00 H new ATOM 843 N ILE A 54 1.744 -3.843 9.522 1.00 0.00 N ATOM 844 CA ILE A 54 2.076 -2.513 9.030 1.00 0.00 C ATOM 845 C ILE A 54 2.749 -1.697 10.129 1.00 0.00 C ATOM 846 O ILE A 54 2.819 -0.469 10.066 1.00 0.00 O ATOM 847 CB ILE A 54 0.814 -1.781 8.522 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.238 -1.702 9.636 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.256 -2.495 7.297 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.553 -1.096 9.201 1.00 0.00 C ATOM 0 H ILE A 54 0.961 -3.865 10.175 1.00 0.00 H new ATOM 0 HA ILE A 54 2.767 -2.623 8.194 1.00 0.00 H new ATOM 0 HB ILE A 54 1.082 -0.764 8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.422 -2.706 10.019 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.165 -1.115 10.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.634 -1.973 6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.007 -2.504 6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.006 -3.520 7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.242 -1.076 10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.385 -0.079 8.846 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.981 -1.695 8.397 1.00 0.00 H new ATOM 862 N LEU A 55 3.253 -2.403 11.135 1.00 0.00 N ATOM 863 CA LEU A 55 3.936 -1.771 12.254 1.00 0.00 C ATOM 864 C LEU A 55 5.390 -1.486 11.896 1.00 0.00 C ATOM 865 O LEU A 55 6.286 -2.268 12.223 1.00 0.00 O ATOM 866 CB LEU A 55 3.875 -2.669 13.495 1.00 0.00 C ATOM 867 CG LEU A 55 2.471 -3.059 13.958 1.00 0.00 C ATOM 868 CD1 LEU A 55 2.550 -4.034 15.120 1.00 0.00 C ATOM 869 CD2 LEU A 55 1.675 -1.824 14.355 1.00 0.00 C ATOM 0 H LEU A 55 3.200 -3.420 11.197 1.00 0.00 H new ATOM 0 HA LEU A 55 3.433 -0.829 12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.437 -3.580 13.290 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.381 -2.160 14.315 1.00 0.00 H new ATOM 0 HG LEU A 55 1.958 -3.546 13.129 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.543 -4.303 15.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.083 -4.932 14.806 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.081 -3.568 15.950 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.679 -2.123 14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.185 -1.309 15.169 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.591 -1.155 13.499 1.00 0.00 H new ATOM 881 N GLY A 56 5.617 -0.380 11.208 1.00 0.00 N ATOM 882 CA GLY A 56 6.959 -0.018 10.813 1.00 0.00 C ATOM 883 C GLY A 56 7.145 1.481 10.733 1.00 0.00 C ATOM 884 O GLY A 56 6.187 2.243 10.890 1.00 0.00 O ATOM 0 H GLY A 56 4.893 0.276 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.671 -0.433 11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.183 -0.463 9.843 1.00 0.00 H new ATOM 888 N VAL A 57 8.375 1.903 10.487 1.00 0.00 N ATOM 889 CA VAL A 57 8.694 3.319 10.380 1.00 0.00 C ATOM 890 C VAL A 57 9.326 3.618 9.028 1.00 0.00 C ATOM 891 O VAL A 57 9.856 2.718 8.370 1.00 0.00 O ATOM 892 CB VAL A 57 9.647 3.783 11.508 1.00 0.00 C ATOM 893 CG1 VAL A 57 8.988 3.631 12.871 1.00 0.00 C ATOM 894 CG2 VAL A 57 10.962 3.015 11.461 1.00 0.00 C ATOM 0 H VAL A 57 9.173 1.282 10.357 1.00 0.00 H new ATOM 0 HA VAL A 57 7.758 3.869 10.479 1.00 0.00 H new ATOM 0 HB VAL A 57 9.864 4.839 11.349 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.677 3.963 13.647 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.082 4.236 12.907 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.732 2.585 13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.614 3.360 12.264 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.766 1.950 11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.448 3.185 10.500 1.00 0.00 H new ATOM 904 N PHE A 58 9.255 4.873 8.606 1.00 0.00 N ATOM 905 CA PHE A 58 9.855 5.284 7.344 1.00 0.00 C ATOM 906 C PHE A 58 11.369 5.127 7.382 1.00 0.00 C ATOM 907 O PHE A 58 12.029 5.554 8.335 1.00 0.00 O ATOM 908 CB PHE A 58 9.501 6.731 7.000 1.00 0.00 C ATOM 909 CG PHE A 58 8.072 6.935 6.593 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.630 6.521 5.349 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.176 7.552 7.447 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.319 6.715 4.965 1.00 0.00 C ATOM 913 CE2 PHE A 58 5.865 7.752 7.068 1.00 0.00 C ATOM 914 CZ PHE A 58 5.434 7.332 5.826 1.00 0.00 C ATOM 0 H PHE A 58 8.789 5.623 9.117 1.00 0.00 H new ATOM 0 HA PHE A 58 9.448 4.633 6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.714 7.360 7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.149 7.069 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.319 6.040 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.506 7.881 8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.986 6.385 3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.176 8.237 7.743 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.407 7.486 5.529 1.00 0.00 H new ATOM 924 N THR A 59 11.906 4.508 6.345 1.00 0.00 N ATOM 925 CA THR A 59 13.337 4.314 6.218 1.00 0.00 C ATOM 926 C THR A 59 13.797 4.735 4.826 1.00 0.00 C ATOM 927 O THR A 59 12.972 5.074 3.975 1.00 0.00 O ATOM 928 CB THR A 59 13.728 2.845 6.473 1.00 0.00 C ATOM 929 OG1 THR A 59 12.843 1.974 5.755 1.00 0.00 O ATOM 930 CG2 THR A 59 13.678 2.513 7.957 1.00 0.00 C ATOM 0 H THR A 59 11.363 4.127 5.570 1.00 0.00 H new ATOM 0 HA THR A 59 13.829 4.932 6.969 1.00 0.00 H new ATOM 0 HB THR A 59 14.750 2.701 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.097 1.042 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.959 1.470 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.372 3.157 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.667 2.674 8.332 1.00 0.00 H new ATOM 938 N GLU A 60 15.101 4.698 4.592 1.00 0.00 N ATOM 939 CA GLU A 60 15.662 5.120 3.314 1.00 0.00 C ATOM 940 C GLU A 60 15.465 4.039 2.252 1.00 0.00 C ATOM 941 O GLU A 60 15.783 4.236 1.076 1.00 0.00 O ATOM 942 CB GLU A 60 17.150 5.427 3.470 1.00 0.00 C ATOM 943 CG GLU A 60 17.456 6.502 4.501 1.00 0.00 C ATOM 944 CD GLU A 60 18.943 6.667 4.728 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.651 7.081 3.786 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.419 6.352 5.839 1.00 0.00 O ATOM 0 H GLU A 60 15.792 4.380 5.271 1.00 0.00 H new ATOM 0 HA GLU A 60 15.140 6.021 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.672 4.512 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.549 5.740 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.033 7.451 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.972 6.248 5.444 1.00 0.00 H new ATOM 953 N SER A 61 14.959 2.892 2.680 1.00 0.00 N ATOM 954 CA SER A 61 14.687 1.788 1.779 1.00 0.00 C ATOM 955 C SER A 61 13.267 1.889 1.232 1.00 0.00 C ATOM 956 O SER A 61 12.317 2.076 1.992 1.00 0.00 O ATOM 957 CB SER A 61 14.870 0.459 2.516 1.00 0.00 C ATOM 958 OG SER A 61 16.161 0.378 3.097 1.00 0.00 O ATOM 0 H SER A 61 14.728 2.703 3.655 1.00 0.00 H new ATOM 0 HA SER A 61 15.387 1.834 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.111 0.361 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.726 -0.369 1.822 1.00 0.00 H new ATOM 0 HG SER A 61 16.256 -0.478 3.564 1.00 0.00 H new ATOM 964 N PRO A 62 13.108 1.797 -0.096 1.00 0.00 N ATOM 965 CA PRO A 62 11.791 1.790 -0.731 1.00 0.00 C ATOM 966 C PRO A 62 10.970 0.582 -0.291 1.00 0.00 C ATOM 967 O PRO A 62 11.228 -0.545 -0.712 1.00 0.00 O ATOM 968 CB PRO A 62 12.097 1.716 -2.231 1.00 0.00 C ATOM 969 CG PRO A 62 13.525 2.128 -2.360 1.00 0.00 C ATOM 970 CD PRO A 62 14.191 1.704 -1.084 1.00 0.00 C ATOM 0 HA PRO A 62 11.201 2.666 -0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.942 0.708 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.443 2.378 -2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.993 1.652 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.609 3.205 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.587 0.691 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.026 2.356 -0.829 1.00 0.00 H new ATOM 978 N GLN A 63 10.001 0.827 0.573 1.00 0.00 N ATOM 979 CA GLN A 63 9.156 -0.233 1.098 1.00 0.00 C ATOM 980 C GLN A 63 7.990 -0.492 0.154 1.00 0.00 C ATOM 981 O GLN A 63 7.479 0.431 -0.486 1.00 0.00 O ATOM 982 CB GLN A 63 8.638 0.138 2.488 1.00 0.00 C ATOM 983 CG GLN A 63 9.729 0.227 3.544 1.00 0.00 C ATOM 984 CD GLN A 63 9.221 0.769 4.866 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.303 1.584 4.903 1.00 0.00 O ATOM 986 NE2 GLN A 63 9.807 0.309 5.960 1.00 0.00 N ATOM 0 H GLN A 63 9.778 1.757 0.928 1.00 0.00 H new ATOM 0 HA GLN A 63 9.750 -1.143 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.122 1.096 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.901 -0.602 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.157 -0.763 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.532 0.867 3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.567 -0.368 5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.499 0.631 6.877 1.00 0.00 H new ATOM 995 N THR A 64 7.584 -1.744 0.061 1.00 0.00 N ATOM 996 CA THR A 64 6.488 -2.127 -0.809 1.00 0.00 C ATOM 997 C THR A 64 5.354 -2.727 0.009 1.00 0.00 C ATOM 998 O THR A 64 5.461 -3.840 0.531 1.00 0.00 O ATOM 999 CB THR A 64 6.954 -3.138 -1.876 1.00 0.00 C ATOM 1000 OG1 THR A 64 8.138 -2.645 -2.520 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.868 -3.370 -2.918 1.00 0.00 C ATOM 0 H THR A 64 7.999 -2.517 0.580 1.00 0.00 H new ATOM 0 HA THR A 64 6.132 -1.231 -1.317 1.00 0.00 H new ATOM 0 HB THR A 64 7.167 -4.086 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.435 -3.289 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.222 -4.087 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.975 -3.762 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.629 -2.427 -3.410 1.00 0.00 H new ATOM 1009 N ILE A 65 4.273 -1.976 0.143 1.00 0.00 N ATOM 1010 CA ILE A 65 3.125 -2.434 0.900 1.00 0.00 C ATOM 1011 C ILE A 65 1.995 -2.806 -0.044 1.00 0.00 C ATOM 1012 O ILE A 65 1.312 -1.936 -0.595 1.00 0.00 O ATOM 1013 CB ILE A 65 2.630 -1.372 1.903 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.787 -0.897 2.784 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.507 -1.940 2.762 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.407 0.213 3.739 1.00 0.00 C ATOM 0 H ILE A 65 4.169 -1.046 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 65 3.439 -3.309 1.469 1.00 0.00 H new ATOM 0 HB ILE A 65 2.243 -0.518 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.167 -1.743 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.601 -0.553 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.167 -1.180 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.677 -2.240 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.873 -2.806 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.277 0.498 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.055 1.075 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.615 -0.133 4.403 1.00 0.00 H new ATOM 1028 N ASN A 66 1.824 -4.097 -0.253 1.00 0.00 N ATOM 1029 CA ASN A 66 0.771 -4.591 -1.118 1.00 0.00 C ATOM 1030 C ASN A 66 -0.517 -4.740 -0.330 1.00 0.00 C ATOM 1031 O ASN A 66 -0.724 -5.737 0.365 1.00 0.00 O ATOM 1032 CB ASN A 66 1.163 -5.931 -1.749 1.00 0.00 C ATOM 1033 CG ASN A 66 2.387 -5.822 -2.639 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.635 -4.784 -3.254 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.160 -6.894 -2.715 1.00 0.00 N ATOM 0 H ASN A 66 2.403 -4.825 0.166 1.00 0.00 H new ATOM 0 HA ASN A 66 0.619 -3.870 -1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.356 -6.657 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.326 -6.311 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.996 -6.879 -3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.919 -7.734 -2.190 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.362 -3.727 -0.409 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.651 -3.755 0.254 1.00 0.00 C ATOM 1044 C ILE A 67 -3.626 -4.562 -0.586 1.00 0.00 C ATOM 1045 O ILE A 67 -4.214 -4.055 -1.541 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.210 -2.332 0.489 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.246 -1.509 1.348 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.581 -2.395 1.147 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.047 -2.063 2.746 1.00 0.00 C ATOM 0 H ILE A 67 -1.175 -2.870 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.521 -4.220 1.231 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.314 -1.844 -0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.280 -1.458 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.621 -0.488 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.956 -1.384 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.269 -2.942 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.501 -2.905 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.352 -1.427 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.004 -2.088 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.642 -3.073 2.683 1.00 0.00 H new ATOM 1061 N ILE A 68 -3.756 -5.832 -0.248 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.592 -6.741 -1.007 1.00 0.00 C ATOM 1063 C ILE A 68 -5.970 -6.846 -0.381 1.00 0.00 C ATOM 1064 O ILE A 68 -6.125 -7.337 0.741 1.00 0.00 O ATOM 1065 CB ILE A 68 -3.946 -8.139 -1.093 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.555 -8.019 -1.717 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -4.819 -9.089 -1.905 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -1.702 -9.260 -1.570 1.00 0.00 C ATOM 0 H ILE A 68 -3.290 -6.258 0.553 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.692 -6.342 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.853 -8.550 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.663 -7.789 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.035 -7.177 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.344 -10.069 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.795 -9.182 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.943 -8.696 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.732 -9.093 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.560 -9.481 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.198 -10.102 -2.053 1.00 0.00 H new ATOM 1080 N TYR A 69 -6.964 -6.360 -1.098 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.331 -6.428 -0.634 1.00 0.00 C ATOM 1082 C TYR A 69 -8.955 -7.757 -1.024 1.00 0.00 C ATOM 1083 O TYR A 69 -8.290 -8.633 -1.576 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.153 -5.265 -1.195 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.674 -3.912 -0.722 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -8.683 -3.590 0.627 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.203 -2.965 -1.622 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -8.239 -2.361 1.069 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.754 -1.733 -1.186 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.776 -1.437 0.161 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.320 -0.217 0.604 1.00 0.00 O ATOM 0 H TYR A 69 -6.847 -5.913 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.329 -6.350 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.117 -5.295 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.196 -5.394 -0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.044 -4.313 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.187 -3.195 -2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.255 -2.125 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.388 -1.006 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.685 0.150 -0.045 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.221 -7.904 -0.711 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.949 -9.115 -1.005 1.00 0.00 C ATOM 1103 C GLN A 70 -12.373 -8.767 -1.385 1.00 0.00 C ATOM 1104 O GLN A 70 -13.049 -8.027 -0.663 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.946 -10.035 0.218 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.714 -11.334 0.029 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.801 -12.139 1.311 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.830 -11.581 2.410 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -11.838 -13.454 1.188 1.00 0.00 N ATOM 0 H GLN A 70 -10.776 -7.186 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.469 -9.632 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.914 -10.272 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.371 -9.496 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.720 -11.111 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.228 -11.933 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.812 -13.881 0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.892 -14.043 2.019 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.816 -9.259 -2.531 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.210 -9.140 -2.894 1.00 0.00 C ATOM 1120 C LYS A 71 -15.036 -9.901 -1.870 1.00 0.00 C ATOM 1121 O LYS A 71 -14.789 -11.079 -1.618 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.459 -9.683 -4.302 1.00 0.00 C ATOM 1123 CG LYS A 71 -15.887 -9.482 -4.783 1.00 0.00 C ATOM 1124 CD LYS A 71 -16.073 -9.968 -6.208 1.00 0.00 C ATOM 1125 CE LYS A 71 -17.492 -9.727 -6.691 1.00 0.00 C ATOM 1126 NZ LYS A 71 -17.688 -10.162 -8.098 1.00 0.00 N ATOM 0 H LYS A 71 -12.233 -9.739 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.499 -8.089 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.777 -9.194 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.224 -10.747 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.571 -10.016 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.146 -8.425 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.371 -9.454 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.843 -11.032 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.189 -10.263 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.728 -8.666 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.671 -9.978 -8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.042 -9.633 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.489 -11.180 -8.178 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.003 -9.223 -1.269 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.769 -9.797 -0.168 1.00 0.00 C ATOM 1142 C LYS A 72 -17.685 -10.926 -0.643 1.00 0.00 C ATOM 1143 O LYS A 72 -18.362 -11.556 0.169 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.584 -8.709 0.532 1.00 0.00 C ATOM 1145 CG LYS A 72 -16.727 -7.565 1.050 1.00 0.00 C ATOM 1146 CD LYS A 72 -17.498 -6.648 1.985 1.00 0.00 C ATOM 1147 CE LYS A 72 -18.667 -5.958 1.301 1.00 0.00 C ATOM 1148 NZ LYS A 72 -19.448 -5.146 2.269 1.00 0.00 N ATOM 0 H LYS A 72 -16.277 -8.274 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.061 -10.225 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.325 -8.314 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.131 -9.152 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.861 -7.970 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.348 -6.987 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.868 -7.227 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.821 -5.894 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.298 -5.318 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.315 -6.704 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.240 -4.686 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.819 -5.763 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.833 -4.420 2.689 1.00 0.00 H new ATOM 1162 N ALA A 73 -17.685 -11.169 -1.955 1.00 0.00 N ATOM 1163 CA ALA A 73 -18.487 -12.226 -2.571 1.00 0.00 C ATOM 1164 C ALA A 73 -19.937 -12.155 -2.113 1.00 0.00 C ATOM 1165 O ALA A 73 -20.349 -12.890 -1.214 1.00 0.00 O ATOM 1166 CB ALA A 73 -17.894 -13.598 -2.274 1.00 0.00 C ATOM 0 H ALA A 73 -17.127 -10.636 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.469 -12.072 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.507 -14.368 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.880 -13.650 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.870 -13.758 -1.196 1.00 0.00 H new ATOM 1172 N PRO A 74 -20.722 -11.241 -2.704 1.00 0.00 N ATOM 1173 CA PRO A 74 -22.116 -11.029 -2.319 1.00 0.00 C ATOM 1174 C PRO A 74 -22.984 -12.253 -2.586 1.00 0.00 C ATOM 1175 O PRO A 74 -23.473 -12.452 -3.701 1.00 0.00 O ATOM 1176 CB PRO A 74 -22.569 -9.848 -3.190 1.00 0.00 C ATOM 1177 CG PRO A 74 -21.311 -9.226 -3.692 1.00 0.00 C ATOM 1178 CD PRO A 74 -20.315 -10.345 -3.795 1.00 0.00 C ATOM 0 HA PRO A 74 -22.211 -10.839 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -23.197 -10.185 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -23.157 -9.135 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -21.469 -8.752 -4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -20.959 -8.451 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.362 -10.841 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -19.292 -9.990 -3.667 1.00 0.00 H new ATOM 1186 N GLU A 75 -23.148 -13.082 -1.563 1.00 0.00 N ATOM 1187 CA GLU A 75 -23.988 -14.262 -1.663 1.00 0.00 C ATOM 1188 C GLU A 75 -25.449 -13.846 -1.669 1.00 0.00 C ATOM 1189 O GLU A 75 -25.848 -12.950 -0.926 1.00 0.00 O ATOM 1190 CB GLU A 75 -23.719 -15.223 -0.502 1.00 0.00 C ATOM 1191 CG GLU A 75 -22.274 -15.689 -0.420 1.00 0.00 C ATOM 1192 CD GLU A 75 -22.055 -16.740 0.651 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -21.803 -16.373 1.815 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -22.111 -17.945 0.326 1.00 0.00 O ATOM 0 H GLU A 75 -22.707 -12.955 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 75 -23.754 -14.780 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.988 -14.733 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -24.367 -16.093 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -21.972 -16.093 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.632 -14.832 -0.218 1.00 0.00 H new ATOM 1201 N GLN A 76 -26.244 -14.497 -2.500 1.00 0.00 N ATOM 1202 CA GLN A 76 -27.647 -14.137 -2.645 1.00 0.00 C ATOM 1203 C GLN A 76 -28.468 -14.746 -1.518 1.00 0.00 C ATOM 1204 O GLN A 76 -29.639 -14.417 -1.328 1.00 0.00 O ATOM 1205 CB GLN A 76 -28.169 -14.587 -4.007 1.00 0.00 C ATOM 1206 CG GLN A 76 -27.345 -14.047 -5.165 1.00 0.00 C ATOM 1207 CD GLN A 76 -27.923 -14.399 -6.517 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -28.580 -15.426 -6.682 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -27.678 -13.548 -7.498 1.00 0.00 N ATOM 0 H GLN A 76 -25.944 -15.277 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 76 -27.742 -13.053 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -28.172 -15.676 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -29.203 -14.261 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -27.273 -12.963 -5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -26.331 -14.440 -5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -27.129 -12.708 -7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -28.038 -13.732 -8.434 1.00 0.00 H new ATOM 1218 N ALA A 77 -27.837 -15.642 -0.773 1.00 0.00 N ATOM 1219 CA ALA A 77 -28.436 -16.204 0.425 1.00 0.00 C ATOM 1220 C ALA A 77 -28.528 -15.140 1.518 1.00 0.00 C ATOM 1221 O ALA A 77 -29.350 -15.232 2.432 1.00 0.00 O ATOM 1222 CB ALA A 77 -27.629 -17.398 0.900 1.00 0.00 C ATOM 0 H ALA A 77 -26.903 -15.996 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 77 -29.446 -16.542 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -28.086 -17.812 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -27.610 -18.158 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -26.610 -17.083 1.124 1.00 0.00 H new ATOM 1228 N LEU A 78 -27.673 -14.133 1.409 1.00 0.00 N ATOM 1229 CA LEU A 78 -27.715 -12.984 2.300 1.00 0.00 C ATOM 1230 C LEU A 78 -28.219 -11.764 1.543 1.00 0.00 C ATOM 1231 O LEU A 78 -28.155 -11.716 0.313 1.00 0.00 O ATOM 1232 CB LEU A 78 -26.329 -12.690 2.882 1.00 0.00 C ATOM 1233 CG LEU A 78 -25.805 -13.720 3.881 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -24.392 -13.367 4.316 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -26.728 -13.806 5.086 1.00 0.00 C ATOM 0 H LEU A 78 -26.936 -14.090 0.705 1.00 0.00 H new ATOM 0 HA LEU A 78 -28.393 -13.213 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -25.618 -12.612 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -26.358 -11.717 3.372 1.00 0.00 H new ATOM 0 HG LEU A 78 -25.781 -14.695 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -24.034 -14.111 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -23.736 -13.352 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -24.391 -12.384 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -26.341 -14.544 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -26.781 -12.833 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -27.725 -14.103 4.760 1.00 0.00 H new ATOM 1247 N GLU A 79 -28.714 -10.784 2.273 1.00 0.00 N ATOM 1248 CA GLU A 79 -29.196 -9.555 1.670 1.00 0.00 C ATOM 1249 C GLU A 79 -28.409 -8.359 2.187 1.00 0.00 C ATOM 1250 O GLU A 79 -27.485 -8.512 2.986 1.00 0.00 O ATOM 1251 CB GLU A 79 -30.677 -9.340 1.985 1.00 0.00 C ATOM 1252 CG GLU A 79 -31.605 -10.421 1.464 1.00 0.00 C ATOM 1253 CD GLU A 79 -33.056 -10.088 1.734 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -33.683 -9.418 0.882 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -33.570 -10.466 2.809 1.00 0.00 O ATOM 0 H GLU A 79 -28.794 -10.815 3.289 1.00 0.00 H new ATOM 0 HA GLU A 79 -29.062 -9.644 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -30.797 -9.269 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -30.987 -8.383 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -31.453 -10.546 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -31.356 -11.372 1.934 1.00 0.00 H new ATOM 1262 N HIS A 80 -28.784 -7.177 1.704 1.00 0.00 N ATOM 1263 CA HIS A 80 -28.287 -5.907 2.235 1.00 0.00 C ATOM 1264 C HIS A 80 -26.783 -5.756 2.036 1.00 0.00 C ATOM 1265 O HIS A 80 -26.092 -5.165 2.868 1.00 0.00 O ATOM 1266 CB HIS A 80 -28.643 -5.763 3.723 1.00 0.00 C ATOM 1267 CG HIS A 80 -30.118 -5.816 3.993 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -30.941 -4.717 3.916 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -30.918 -6.856 4.323 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -32.181 -5.079 4.183 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -32.197 -6.373 4.432 1.00 0.00 N ATOM 0 H HIS A 80 -29.442 -7.071 0.932 1.00 0.00 H new ATOM 0 HA HIS A 80 -28.777 -5.111 1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -28.150 -6.556 4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -28.248 -4.817 4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -30.606 -7.879 4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -33.040 -4.424 4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -33.023 -6.924 4.667 1.00 0.00 H new ATOM 1280 N HIS A 81 -26.278 -6.270 0.920 1.00 0.00 N ATOM 1281 CA HIS A 81 -24.881 -6.057 0.558 1.00 0.00 C ATOM 1282 C HIS A 81 -24.733 -4.623 0.080 1.00 0.00 C ATOM 1283 O HIS A 81 -23.704 -3.981 0.268 1.00 0.00 O ATOM 1284 CB HIS A 81 -24.431 -7.034 -0.530 1.00 0.00 C ATOM 1285 CG HIS A 81 -24.632 -8.471 -0.164 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -23.825 -9.143 0.724 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -25.568 -9.362 -0.564 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -24.253 -10.383 0.854 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -25.310 -10.543 0.081 1.00 0.00 N ATOM 0 H HIS A 81 -26.809 -6.832 0.255 1.00 0.00 H new ATOM 0 HA HIS A 81 -24.248 -6.235 1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -24.980 -6.821 -1.448 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -23.375 -6.866 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -26.370 -9.177 -1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -23.813 -11.140 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -25.847 -11.404 -0.020 1.00 0.00 H new ATOM 1298 N HIS A 82 -25.788 -4.144 -0.555 1.00 0.00 N ATOM 1299 CA HIS A 82 -25.944 -2.733 -0.851 1.00 0.00 C ATOM 1300 C HIS A 82 -27.155 -2.219 -0.092 1.00 0.00 C ATOM 1301 O HIS A 82 -28.285 -2.609 -0.383 1.00 0.00 O ATOM 1302 CB HIS A 82 -26.115 -2.496 -2.356 1.00 0.00 C ATOM 1303 CG HIS A 82 -24.829 -2.504 -3.122 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -24.415 -1.447 -3.896 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -23.865 -3.447 -3.236 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -23.255 -1.734 -4.452 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -22.894 -2.945 -4.068 1.00 0.00 N ATOM 0 H HIS A 82 -26.561 -4.724 -0.880 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.048 -2.196 -0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -26.773 -3.264 -2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -26.611 -1.538 -2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -23.860 -4.416 -2.760 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.694 -1.088 -5.111 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -22.038 -3.427 -4.343 1.00 0.00 H new ATOM 1316 N HIS A 83 -26.911 -1.377 0.902 1.00 0.00 N ATOM 1317 CA HIS A 83 -27.981 -0.889 1.766 1.00 0.00 C ATOM 1318 C HIS A 83 -28.972 -0.041 0.984 1.00 0.00 C ATOM 1319 O HIS A 83 -30.180 -0.105 1.220 1.00 0.00 O ATOM 1320 CB HIS A 83 -27.411 -0.095 2.945 1.00 0.00 C ATOM 1321 CG HIS A 83 -26.784 -0.962 3.995 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -25.447 -1.296 4.001 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -27.324 -1.569 5.077 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -25.194 -2.072 5.040 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -26.316 -2.252 5.709 1.00 0.00 N ATOM 0 H HIS A 83 -25.985 -1.017 1.131 1.00 0.00 H new ATOM 0 HA HIS A 83 -28.512 -1.756 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -26.667 0.610 2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -28.209 0.493 3.398 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -28.358 -1.524 5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -24.231 -2.488 5.298 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -26.418 -2.808 6.558 1.00 0.00 H new ATOM 1334 N HIS A 84 -28.470 0.738 0.044 1.00 0.00 N ATOM 1335 CA HIS A 84 -29.334 1.549 -0.785 1.00 0.00 C ATOM 1336 C HIS A 84 -29.404 0.960 -2.184 1.00 0.00 C ATOM 1337 O HIS A 84 -28.532 1.203 -3.019 1.00 0.00 O ATOM 1338 CB HIS A 84 -28.851 3.001 -0.838 1.00 0.00 C ATOM 1339 CG HIS A 84 -29.892 3.948 -1.353 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -30.762 4.622 -0.525 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -30.212 4.322 -2.615 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -31.574 5.367 -1.251 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -31.262 5.200 -2.521 1.00 0.00 N ATOM 0 H HIS A 84 -27.475 0.825 -0.162 1.00 0.00 H new ATOM 0 HA HIS A 84 -30.331 1.549 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -28.547 3.313 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -27.968 3.061 -1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -29.731 3.991 -3.524 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -32.359 6.004 -0.870 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -31.727 5.652 -3.308 1.00 0.00 H new ATOM 1352 N HIS A 85 -30.427 0.156 -2.414 1.00 0.00 N ATOM 1353 CA HIS A 85 -30.649 -0.450 -3.713 1.00 0.00 C ATOM 1354 C HIS A 85 -31.420 0.514 -4.599 1.00 0.00 C ATOM 1355 O HIS A 85 -30.794 1.165 -5.457 1.00 0.00 O ATOM 1356 CB HIS A 85 -31.412 -1.774 -3.562 1.00 0.00 C ATOM 1357 CG HIS A 85 -31.731 -2.454 -4.862 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -30.808 -3.188 -5.573 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -32.882 -2.512 -5.575 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -31.375 -3.668 -6.662 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -32.633 -3.274 -6.688 1.00 0.00 N ATOM 1362 OXT HIS A 85 -32.645 0.642 -4.403 1.00 0.00 O ATOM 0 H HIS A 85 -31.122 -0.093 -1.711 1.00 0.00 H new ATOM 0 HA HIS A 85 -29.687 -0.665 -4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -30.822 -2.452 -2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -32.342 -1.585 -3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -33.821 -2.045 -5.315 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -30.890 -4.281 -7.408 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -33.310 -3.499 -7.417 1.00 0.00 H new TER 1371 HIS A 85