USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 672 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 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-1.4) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.433 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.254 K(o=0.69,f=-0.075) USER MOD Set 3.1: A 36 LYS NZ :NH3+ 167:sc= 0.58 (180deg=0) USER MOD Set 3.2: A 53 THR OG1 : rot 75:sc= 1.25 USER MOD Set 4.1: A 8 ASN : amide:sc= 1.45 K(o=2.6,f=-3.7) USER MOD Set 4.2: A 83 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0) USER MOD Set 5.1: A 5 GLN : amide:sc= 2.15 K(o=3.4,f=-3.3) USER MOD Set 5.2: A 82 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0) USER MOD Set 6.1: A 2 GLN : amide:sc= 1.28 K(o=2.6,f=-1) USER MOD Set 6.2: A 77 LYS NZ :NH3+ -169:sc= 0.976 (180deg=0) USER MOD Set 6.3: A 79 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 1 ALA N :NH3+ -135:sc= 0.15 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 9 GLN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.677 K(o=0.68,f=-0.27) USER MOD Single : A 20 THR OG1 : rot 122:sc= 0.927 USER MOD Single : A 21 ASN : amide:sc= 0.485 K(o=0.49,f=-4.1!) USER MOD Single : A 23 MET CE :methyl -175:sc= 0 (180deg=-0.0243) USER MOD Single : A 24 MET CE :methyl -172:sc= 0 (180deg=-0.0672) USER MOD Single : A 26 SER OG : rot 79:sc= 1.22 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.16) USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.754 K(o=0.75,f=-3.4!) USER MOD Single : A 58 SER OG : rot 142:sc= 1.14 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 LYS NZ :NH3+ 134:sc= 1.62 (180deg=0.227!) USER MOD Single : A 66 GLN : amide:sc= 0.388 K(o=0.39,f=-0.15) USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.746) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 177:sc= -0.357 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.894 -4.666 -2.758 1.00 0.00 N ATOM 2 CA ALA A 1 3.248 -4.038 -1.468 1.00 0.00 C ATOM 3 C ALA A 1 4.641 -3.404 -1.582 1.00 0.00 C ATOM 4 O ALA A 1 5.281 -3.473 -2.637 1.00 0.00 O ATOM 5 CB ALA A 1 3.183 -5.063 -0.317 1.00 0.00 C ATOM 0 H1 ALA A 1 1.915 -4.420 -3.007 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.537 -4.322 -3.500 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.981 -5.699 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 1 2.525 -3.256 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.448 -4.574 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.172 -5.464 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.883 -5.875 -0.513 1.00 0.00 H new ATOM 13 N GLN A 2 5.142 -2.801 -0.499 1.00 0.00 N ATOM 14 CA GLN A 2 6.518 -2.329 -0.405 1.00 0.00 C ATOM 15 C GLN A 2 6.987 -2.496 1.046 1.00 0.00 C ATOM 16 O GLN A 2 6.184 -2.395 1.976 1.00 0.00 O ATOM 17 CB GLN A 2 6.639 -0.872 -0.908 1.00 0.00 C ATOM 18 CG GLN A 2 5.607 0.103 -0.303 1.00 0.00 C ATOM 19 CD GLN A 2 5.797 1.571 -0.710 1.00 0.00 C ATOM 20 OE1 GLN A 2 4.830 2.266 -1.016 1.00 0.00 O ATOM 21 NE2 GLN A 2 7.015 2.090 -0.735 1.00 0.00 N ATOM 0 H GLN A 2 4.594 -2.627 0.343 1.00 0.00 H new ATOM 0 HA GLN A 2 7.168 -2.920 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.641 -0.506 -0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.533 -0.866 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.608 -0.216 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.654 0.032 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.819 1.516 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.149 3.064 -1.008 1.00 0.00 H new ATOM 30 N THR A 3 8.278 -2.764 1.241 1.00 0.00 N ATOM 31 CA THR A 3 8.902 -3.070 2.526 1.00 0.00 C ATOM 32 C THR A 3 9.208 -1.776 3.301 1.00 0.00 C ATOM 33 O THR A 3 10.362 -1.488 3.616 1.00 0.00 O ATOM 34 CB THR A 3 10.140 -3.960 2.267 1.00 0.00 C ATOM 35 OG1 THR A 3 10.887 -3.489 1.154 1.00 0.00 O ATOM 36 CG2 THR A 3 9.714 -5.397 1.941 1.00 0.00 C ATOM 0 H THR A 3 8.947 -2.774 0.471 1.00 0.00 H new ATOM 0 HA THR A 3 8.225 -3.632 3.169 1.00 0.00 H new ATOM 0 HB THR A 3 10.744 -3.927 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.665 -4.068 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.599 -6.007 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.153 -5.809 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.087 -5.397 1.049 1.00 0.00 H new ATOM 44 N GLU A 4 8.186 -0.952 3.546 1.00 0.00 N ATOM 45 CA GLU A 4 8.321 0.304 4.272 1.00 0.00 C ATOM 46 C GLU A 4 8.749 0.036 5.712 1.00 0.00 C ATOM 47 O GLU A 4 8.467 -1.022 6.281 1.00 0.00 O ATOM 48 CB GLU A 4 6.998 1.083 4.234 1.00 0.00 C ATOM 49 CG GLU A 4 6.776 1.772 2.883 1.00 0.00 C ATOM 50 CD GLU A 4 7.564 3.082 2.751 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.810 3.093 2.890 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.930 4.135 2.521 1.00 0.00 O ATOM 0 H GLU A 4 7.232 -1.145 3.240 1.00 0.00 H new ATOM 0 HA GLU A 4 9.090 0.909 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.171 0.402 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.995 1.831 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.069 1.094 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.713 1.977 2.755 1.00 0.00 H new ATOM 59 N GLN A 5 9.430 1.017 6.301 1.00 0.00 N ATOM 60 CA GLN A 5 10.051 0.959 7.617 1.00 0.00 C ATOM 61 C GLN A 5 9.995 2.371 8.229 1.00 0.00 C ATOM 62 O GLN A 5 9.665 3.323 7.512 1.00 0.00 O ATOM 63 CB GLN A 5 11.527 0.527 7.452 1.00 0.00 C ATOM 64 CG GLN A 5 11.756 -0.907 6.956 1.00 0.00 C ATOM 65 CD GLN A 5 11.402 -1.973 7.992 1.00 0.00 C ATOM 66 OE1 GLN A 5 12.262 -2.450 8.727 1.00 0.00 O ATOM 67 NE2 GLN A 5 10.150 -2.389 8.069 1.00 0.00 N ATOM 0 H GLN A 5 9.569 1.920 5.847 1.00 0.00 H new ATOM 0 HA GLN A 5 9.535 0.247 8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.010 1.213 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.028 0.643 8.413 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.160 -1.072 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.802 -1.022 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.441 -1.988 7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.893 -3.111 8.742 1.00 0.00 H new ATOM 76 N PRO A 6 10.353 2.557 9.513 1.00 0.00 N ATOM 77 CA PRO A 6 10.788 3.857 10.019 1.00 0.00 C ATOM 78 C PRO A 6 11.889 4.479 9.130 1.00 0.00 C ATOM 79 O PRO A 6 12.595 3.736 8.439 1.00 0.00 O ATOM 80 CB PRO A 6 11.294 3.594 11.443 1.00 0.00 C ATOM 81 CG PRO A 6 10.547 2.329 11.862 1.00 0.00 C ATOM 82 CD PRO A 6 10.445 1.545 10.555 1.00 0.00 C ATOM 0 HA PRO A 6 9.972 4.579 10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.374 3.447 11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.073 4.429 12.108 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.091 1.773 12.625 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.564 2.558 12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.316 0.907 10.409 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.570 0.895 10.552 1.00 0.00 H new ATOM 90 N PRO A 7 12.069 5.816 9.146 1.00 0.00 N ATOM 91 CA PRO A 7 13.072 6.506 8.339 1.00 0.00 C ATOM 92 C PRO A 7 14.472 5.891 8.432 1.00 0.00 C ATOM 93 O PRO A 7 14.921 5.493 9.511 1.00 0.00 O ATOM 94 CB PRO A 7 13.053 7.968 8.796 1.00 0.00 C ATOM 95 CG PRO A 7 11.619 8.153 9.284 1.00 0.00 C ATOM 96 CD PRO A 7 11.273 6.789 9.881 1.00 0.00 C ATOM 0 HA PRO A 7 12.823 6.413 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.777 8.153 9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.293 8.650 7.980 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.546 8.948 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.947 8.417 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.505 6.759 10.946 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.208 6.578 9.781 1.00 0.00 H new ATOM 104 N ASN A 8 15.175 5.854 7.296 1.00 0.00 N ATOM 105 CA ASN A 8 16.522 5.310 7.158 1.00 0.00 C ATOM 106 C ASN A 8 17.249 6.094 6.066 1.00 0.00 C ATOM 107 O ASN A 8 16.620 6.540 5.108 1.00 0.00 O ATOM 108 CB ASN A 8 16.459 3.820 6.780 1.00 0.00 C ATOM 109 CG ASN A 8 17.851 3.272 6.501 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.796 3.532 7.241 1.00 0.00 O ATOM 111 ND2 ASN A 8 18.028 2.568 5.402 1.00 0.00 N ATOM 0 H ASN A 8 14.805 6.216 6.417 1.00 0.00 H new ATOM 0 HA ASN A 8 17.056 5.400 8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.996 3.255 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.829 3.690 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.959 2.231 5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.234 2.359 4.797 1.00 0.00 H new ATOM 118 N GLN A 9 18.569 6.249 6.188 1.00 0.00 N ATOM 119 CA GLN A 9 19.416 7.023 5.278 1.00 0.00 C ATOM 120 C GLN A 9 19.654 6.346 3.913 1.00 0.00 C ATOM 121 O GLN A 9 20.512 6.799 3.153 1.00 0.00 O ATOM 122 CB GLN A 9 20.735 7.377 5.993 1.00 0.00 C ATOM 123 CG GLN A 9 21.695 6.189 6.178 1.00 0.00 C ATOM 124 CD GLN A 9 22.981 6.601 6.894 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.229 6.211 8.033 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.827 7.389 6.251 1.00 0.00 N ATOM 0 H GLN A 9 19.096 5.824 6.951 1.00 0.00 H new ATOM 0 HA GLN A 9 18.880 7.939 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.245 8.155 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.503 7.797 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.197 5.405 6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.941 5.766 5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.611 7.706 5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.696 7.679 6.700 1.00 0.00 H new ATOM 135 N ILE A 10 18.949 5.259 3.590 1.00 0.00 N ATOM 136 CA ILE A 10 19.040 4.571 2.305 1.00 0.00 C ATOM 137 C ILE A 10 17.598 4.327 1.869 1.00 0.00 C ATOM 138 O ILE A 10 16.733 4.005 2.691 1.00 0.00 O ATOM 139 CB ILE A 10 19.871 3.260 2.387 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.225 3.484 3.102 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.096 2.650 0.983 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.131 2.250 3.169 1.00 0.00 C ATOM 0 H ILE A 10 18.285 4.825 4.231 1.00 0.00 H new ATOM 0 HA ILE A 10 19.576 5.174 1.572 1.00 0.00 H new ATOM 0 HB ILE A 10 19.292 2.552 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.761 4.283 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.030 3.829 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.680 1.734 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.133 2.422 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.634 3.363 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.055 2.505 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.620 1.453 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.363 1.913 2.158 1.00 0.00 H new ATOM 154 N LEU A 11 17.348 4.466 0.573 1.00 0.00 N ATOM 155 CA LEU A 11 16.040 4.361 -0.047 1.00 0.00 C ATOM 156 C LEU A 11 16.135 3.300 -1.132 1.00 0.00 C ATOM 157 O LEU A 11 17.162 3.200 -1.808 1.00 0.00 O ATOM 158 CB LEU A 11 15.639 5.715 -0.667 1.00 0.00 C ATOM 159 CG LEU A 11 15.555 6.895 0.320 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.249 8.191 -0.438 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.498 6.644 1.400 1.00 0.00 C ATOM 0 H LEU A 11 18.087 4.664 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 11 15.285 4.090 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.359 5.966 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.670 5.600 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 11 16.520 6.992 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.191 9.020 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.041 8.385 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.297 8.091 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.464 7.495 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.522 6.515 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.755 5.744 1.958 1.00 0.00 H new ATOM 173 N PHE A 12 15.059 2.542 -1.310 1.00 0.00 N ATOM 174 CA PHE A 12 14.873 1.614 -2.411 1.00 0.00 C ATOM 175 C PHE A 12 13.767 2.202 -3.270 1.00 0.00 C ATOM 176 O PHE A 12 12.783 2.729 -2.747 1.00 0.00 O ATOM 177 CB PHE A 12 14.486 0.224 -1.892 1.00 0.00 C ATOM 178 CG PHE A 12 14.165 -0.776 -2.992 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.139 -1.091 -3.956 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.900 -1.393 -3.063 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.877 -2.042 -4.956 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.644 -2.363 -4.049 1.00 0.00 C ATOM 183 CZ PHE A 12 13.632 -2.689 -4.997 1.00 0.00 C ATOM 0 H PHE A 12 14.267 2.560 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 12 15.792 1.485 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.303 -0.167 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.620 0.319 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.099 -0.597 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.127 -1.121 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.632 -2.275 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.685 -2.860 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.433 -3.434 -5.753 1.00 0.00 H new ATOM 193 N LEU A 13 13.938 2.150 -4.580 1.00 0.00 N ATOM 194 CA LEU A 13 13.103 2.838 -5.542 1.00 0.00 C ATOM 195 C LEU A 13 12.643 1.820 -6.566 1.00 0.00 C ATOM 196 O LEU A 13 13.417 0.942 -6.943 1.00 0.00 O ATOM 197 CB LEU A 13 13.914 3.939 -6.242 1.00 0.00 C ATOM 198 CG LEU A 13 13.929 5.299 -5.532 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.754 5.306 -4.240 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.516 6.336 -6.489 1.00 0.00 C ATOM 0 H LEU A 13 14.686 1.610 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 13 12.249 3.297 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.942 3.595 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.515 4.077 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 13 12.900 5.528 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.720 6.299 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.342 4.578 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.788 5.046 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.535 7.311 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.531 6.046 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.901 6.391 -7.387 1.00 0.00 H new ATOM 212 N THR A 14 11.412 1.971 -7.039 1.00 0.00 N ATOM 213 CA THR A 14 10.764 1.069 -7.986 1.00 0.00 C ATOM 214 C THR A 14 9.893 1.875 -8.964 1.00 0.00 C ATOM 215 O THR A 14 9.793 3.105 -8.860 1.00 0.00 O ATOM 216 CB THR A 14 9.958 -0.006 -7.221 1.00 0.00 C ATOM 217 OG1 THR A 14 9.014 0.590 -6.360 1.00 0.00 O ATOM 218 CG2 THR A 14 10.817 -0.911 -6.337 1.00 0.00 C ATOM 0 H THR A 14 10.816 2.752 -6.765 1.00 0.00 H new ATOM 0 HA THR A 14 11.516 0.547 -8.579 1.00 0.00 H new ATOM 0 HB THR A 14 9.491 -0.601 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.515 -0.109 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.180 -1.638 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.548 -1.434 -6.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.336 -0.307 -5.593 1.00 0.00 H new ATOM 226 N ASN A 15 9.251 1.182 -9.915 1.00 0.00 N ATOM 227 CA ASN A 15 8.414 1.755 -10.974 1.00 0.00 C ATOM 228 C ASN A 15 9.155 2.811 -11.812 1.00 0.00 C ATOM 229 O ASN A 15 8.559 3.753 -12.341 1.00 0.00 O ATOM 230 CB ASN A 15 7.085 2.262 -10.384 1.00 0.00 C ATOM 231 CG ASN A 15 6.055 2.572 -11.467 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.701 1.713 -12.271 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.526 3.784 -11.494 1.00 0.00 N ATOM 0 H ASN A 15 9.304 0.165 -9.968 1.00 0.00 H new ATOM 0 HA ASN A 15 8.174 0.963 -11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.681 1.511 -9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.270 3.159 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.815 4.015 -12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.829 4.488 -10.821 1.00 0.00 H new ATOM 240 N LEU A 16 10.480 2.687 -11.893 1.00 0.00 N ATOM 241 CA LEU A 16 11.352 3.600 -12.620 1.00 0.00 C ATOM 242 C LEU A 16 11.276 3.277 -14.125 1.00 0.00 C ATOM 243 O LEU A 16 10.686 2.256 -14.495 1.00 0.00 O ATOM 244 CB LEU A 16 12.792 3.457 -12.086 1.00 0.00 C ATOM 245 CG LEU A 16 12.952 3.460 -10.552 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.423 3.265 -10.190 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.423 4.742 -9.899 1.00 0.00 C ATOM 0 H LEU A 16 10.987 1.926 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 16 11.034 4.632 -12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.210 2.527 -12.472 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.392 4.270 -12.495 1.00 0.00 H new ATOM 0 HG LEU A 16 12.352 2.636 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.534 3.267 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.773 2.313 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.013 4.076 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.563 4.685 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.967 5.601 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.362 4.853 -10.122 1.00 0.00 H new ATOM 259 N PRO A 17 11.822 4.129 -15.013 1.00 0.00 N ATOM 260 CA PRO A 17 11.989 3.802 -16.423 1.00 0.00 C ATOM 261 C PRO A 17 12.663 2.437 -16.627 1.00 0.00 C ATOM 262 O PRO A 17 13.423 1.958 -15.788 1.00 0.00 O ATOM 263 CB PRO A 17 12.828 4.938 -17.014 1.00 0.00 C ATOM 264 CG PRO A 17 12.477 6.122 -16.124 1.00 0.00 C ATOM 265 CD PRO A 17 12.264 5.487 -14.754 1.00 0.00 C ATOM 0 HA PRO A 17 11.023 3.716 -16.920 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.894 4.711 -16.982 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.573 5.127 -18.057 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.279 6.860 -16.104 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.580 6.634 -16.473 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.186 5.494 -14.172 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.520 6.038 -14.179 1.00 0.00 H new ATOM 273 N GLU A 18 12.485 1.839 -17.804 1.00 0.00 N ATOM 274 CA GLU A 18 13.251 0.651 -18.192 1.00 0.00 C ATOM 275 C GLU A 18 14.639 1.066 -18.723 1.00 0.00 C ATOM 276 O GLU A 18 15.344 0.264 -19.333 1.00 0.00 O ATOM 277 CB GLU A 18 12.449 -0.200 -19.194 1.00 0.00 C ATOM 278 CG GLU A 18 11.129 -0.704 -18.584 1.00 0.00 C ATOM 279 CD GLU A 18 10.470 -1.792 -19.451 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.786 -1.460 -20.445 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.620 -2.993 -19.126 1.00 0.00 O ATOM 0 H GLU A 18 11.817 2.156 -18.507 1.00 0.00 H new ATOM 0 HA GLU A 18 13.423 0.021 -17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.236 0.391 -20.085 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.051 -1.051 -19.513 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.319 -1.101 -17.587 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.441 0.133 -18.468 1.00 0.00 H new ATOM 288 N GLU A 19 15.027 2.330 -18.508 1.00 0.00 N ATOM 289 CA GLU A 19 16.180 2.994 -19.081 1.00 0.00 C ATOM 290 C GLU A 19 16.864 3.926 -18.059 1.00 0.00 C ATOM 291 O GLU A 19 17.712 4.737 -18.438 1.00 0.00 O ATOM 292 CB GLU A 19 15.742 3.791 -20.330 1.00 0.00 C ATOM 293 CG GLU A 19 15.032 2.989 -21.436 1.00 0.00 C ATOM 294 CD GLU A 19 15.891 1.885 -22.091 1.00 0.00 C ATOM 295 OE1 GLU A 19 17.141 1.958 -22.080 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.311 0.958 -22.702 1.00 0.00 O ATOM 0 H GLU A 19 14.502 2.946 -17.887 1.00 0.00 H new ATOM 0 HA GLU A 19 16.909 2.236 -19.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.077 4.593 -20.009 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.625 4.262 -20.762 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.137 2.531 -21.015 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.702 3.680 -22.211 1.00 0.00 H new ATOM 303 N THR A 20 16.486 3.866 -16.773 1.00 0.00 N ATOM 304 CA THR A 20 17.054 4.692 -15.709 1.00 0.00 C ATOM 305 C THR A 20 18.564 4.458 -15.649 1.00 0.00 C ATOM 306 O THR A 20 19.042 3.343 -15.882 1.00 0.00 O ATOM 307 CB THR A 20 16.391 4.362 -14.354 1.00 0.00 C ATOM 308 OG1 THR A 20 15.078 3.894 -14.538 1.00 0.00 O ATOM 309 CG2 THR A 20 16.309 5.594 -13.448 1.00 0.00 C ATOM 0 H THR A 20 15.762 3.228 -16.442 1.00 0.00 H new ATOM 0 HA THR A 20 16.863 5.744 -15.922 1.00 0.00 H new ATOM 0 HB THR A 20 17.014 3.598 -13.889 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.992 2.999 -14.147 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.837 5.321 -12.504 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.313 5.971 -13.255 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.719 6.368 -13.939 1.00 0.00 H new ATOM 317 N ASN A 21 19.318 5.497 -15.300 1.00 0.00 N ATOM 318 CA ASN A 21 20.764 5.445 -15.182 1.00 0.00 C ATOM 319 C ASN A 21 21.138 6.127 -13.872 1.00 0.00 C ATOM 320 O ASN A 21 20.386 6.980 -13.394 1.00 0.00 O ATOM 321 CB ASN A 21 21.408 6.144 -16.391 1.00 0.00 C ATOM 322 CG ASN A 21 22.928 6.122 -16.302 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.537 7.043 -15.771 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.567 5.060 -16.762 1.00 0.00 N ATOM 0 H ASN A 21 18.928 6.415 -15.088 1.00 0.00 H new ATOM 0 HA ASN A 21 21.127 4.417 -15.174 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.089 5.652 -17.310 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.060 7.176 -16.444 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.582 4.999 -16.677 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.045 4.302 -17.202 1.00 0.00 H new ATOM 331 N GLU A 22 22.291 5.776 -13.303 1.00 0.00 N ATOM 332 CA GLU A 22 22.803 6.343 -12.057 1.00 0.00 C ATOM 333 C GLU A 22 22.762 7.876 -12.085 1.00 0.00 C ATOM 334 O GLU A 22 22.382 8.511 -11.101 1.00 0.00 O ATOM 335 CB GLU A 22 24.229 5.804 -11.849 1.00 0.00 C ATOM 336 CG GLU A 22 24.765 6.047 -10.434 1.00 0.00 C ATOM 337 CD GLU A 22 26.222 5.569 -10.293 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.469 4.342 -10.268 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.138 6.416 -10.203 1.00 0.00 O ATOM 0 H GLU A 22 22.910 5.072 -13.706 1.00 0.00 H new ATOM 0 HA GLU A 22 22.175 6.045 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.240 4.734 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.897 6.275 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.705 7.110 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.138 5.525 -9.711 1.00 0.00 H new ATOM 346 N MET A 23 23.085 8.468 -13.237 1.00 0.00 N ATOM 347 CA MET A 23 23.134 9.914 -13.418 1.00 0.00 C ATOM 348 C MET A 23 21.757 10.565 -13.303 1.00 0.00 C ATOM 349 O MET A 23 21.672 11.681 -12.793 1.00 0.00 O ATOM 350 CB MET A 23 23.753 10.261 -14.781 1.00 0.00 C ATOM 351 CG MET A 23 25.229 9.853 -14.896 1.00 0.00 C ATOM 352 SD MET A 23 26.365 10.566 -13.667 1.00 0.00 S ATOM 353 CE MET A 23 26.265 12.329 -14.086 1.00 0.00 C ATOM 0 H MET A 23 23.323 7.946 -14.080 1.00 0.00 H new ATOM 0 HA MET A 23 23.756 10.311 -12.615 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.184 9.766 -15.568 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.665 11.334 -14.950 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.289 8.767 -14.827 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.583 10.129 -15.889 1.00 0.00 H new ATOM 0 HE1 MET A 23 26.975 12.889 -13.477 1.00 0.00 H new ATOM 0 HE2 MET A 23 26.504 12.466 -15.141 1.00 0.00 H new ATOM 0 HE3 MET A 23 25.256 12.692 -13.892 1.00 0.00 H new ATOM 363 N MET A 24 20.687 9.890 -13.741 1.00 0.00 N ATOM 364 CA MET A 24 19.329 10.442 -13.680 1.00 0.00 C ATOM 365 C MET A 24 18.965 10.707 -12.227 1.00 0.00 C ATOM 366 O MET A 24 18.630 11.825 -11.833 1.00 0.00 O ATOM 367 CB MET A 24 18.286 9.489 -14.298 1.00 0.00 C ATOM 368 CG MET A 24 18.385 9.409 -15.818 1.00 0.00 C ATOM 369 SD MET A 24 17.958 10.923 -16.729 1.00 0.00 S ATOM 370 CE MET A 24 16.169 11.015 -16.423 1.00 0.00 C ATOM 0 H MET A 24 20.737 8.954 -14.144 1.00 0.00 H new ATOM 0 HA MET A 24 19.318 11.366 -14.258 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.417 8.492 -13.877 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.286 9.823 -14.021 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.404 9.127 -16.081 1.00 0.00 H new ATOM 0 HG3 MET A 24 17.733 8.606 -16.162 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.736 11.809 -17.032 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.706 10.064 -16.684 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.991 11.228 -15.369 1.00 0.00 H new ATOM 380 N LEU A 25 19.067 9.659 -11.414 1.00 0.00 N ATOM 381 CA LEU A 25 18.676 9.751 -10.020 1.00 0.00 C ATOM 382 C LEU A 25 19.668 10.618 -9.254 1.00 0.00 C ATOM 383 O LEU A 25 19.250 11.331 -8.348 1.00 0.00 O ATOM 384 CB LEU A 25 18.589 8.361 -9.383 1.00 0.00 C ATOM 385 CG LEU A 25 17.534 7.430 -10.003 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.481 6.141 -9.184 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.154 8.091 -10.066 1.00 0.00 C ATOM 0 H LEU A 25 19.415 8.744 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 25 17.689 10.211 -9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.565 7.881 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.371 8.477 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 25 17.820 7.208 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.737 5.469 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.458 5.658 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.210 6.375 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.439 7.399 -10.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.829 8.351 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.211 8.994 -10.674 1.00 0.00 H new ATOM 399 N SER A 26 20.955 10.607 -9.621 1.00 0.00 N ATOM 400 CA SER A 26 21.934 11.466 -8.972 1.00 0.00 C ATOM 401 C SER A 26 21.564 12.927 -9.203 1.00 0.00 C ATOM 402 O SER A 26 21.518 13.701 -8.252 1.00 0.00 O ATOM 403 CB SER A 26 23.352 11.166 -9.471 1.00 0.00 C ATOM 404 OG SER A 26 23.701 9.822 -9.208 1.00 0.00 O ATOM 0 H SER A 26 21.334 10.015 -10.360 1.00 0.00 H new ATOM 0 HA SER A 26 21.923 11.266 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.415 11.360 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.063 11.833 -8.984 1.00 0.00 H new ATOM 0 HG SER A 26 23.286 9.239 -9.878 1.00 0.00 H new ATOM 410 N MET A 27 21.221 13.296 -10.439 1.00 0.00 N ATOM 411 CA MET A 27 20.779 14.638 -10.774 1.00 0.00 C ATOM 412 C MET A 27 19.527 15.002 -9.969 1.00 0.00 C ATOM 413 O MET A 27 19.454 16.107 -9.432 1.00 0.00 O ATOM 414 CB MET A 27 20.553 14.715 -12.292 1.00 0.00 C ATOM 415 CG MET A 27 19.996 16.060 -12.756 1.00 0.00 C ATOM 416 SD MET A 27 21.039 17.499 -12.390 1.00 0.00 S ATOM 417 CE MET A 27 19.918 18.814 -12.941 1.00 0.00 C ATOM 0 H MET A 27 21.245 12.661 -11.237 1.00 0.00 H new ATOM 0 HA MET A 27 21.539 15.372 -10.507 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.497 14.526 -12.802 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.866 13.923 -12.590 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.832 16.015 -13.833 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.021 16.211 -12.292 1.00 0.00 H new ATOM 0 HE1 MET A 27 20.393 19.784 -12.792 1.00 0.00 H new ATOM 0 HE2 MET A 27 19.692 18.680 -13.999 1.00 0.00 H new ATOM 0 HE3 MET A 27 18.994 18.770 -12.364 1.00 0.00 H new ATOM 427 N LEU A 28 18.554 14.087 -9.854 1.00 0.00 N ATOM 428 CA LEU A 28 17.310 14.380 -9.144 1.00 0.00 C ATOM 429 C LEU A 28 17.540 14.559 -7.645 1.00 0.00 C ATOM 430 O LEU A 28 17.104 15.561 -7.078 1.00 0.00 O ATOM 431 CB LEU A 28 16.246 13.299 -9.407 1.00 0.00 C ATOM 432 CG LEU A 28 15.695 13.295 -10.847 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.743 12.109 -11.036 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.957 14.593 -11.203 1.00 0.00 C ATOM 0 H LEU A 28 18.607 13.145 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 28 16.936 15.326 -9.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.676 12.321 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.418 13.443 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 28 16.553 13.209 -11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.357 12.111 -12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.280 11.178 -10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.914 12.193 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.591 14.534 -12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.115 14.731 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.640 15.437 -11.110 1.00 0.00 H new ATOM 446 N PHE A 29 18.210 13.611 -6.994 1.00 0.00 N ATOM 447 CA PHE A 29 18.314 13.610 -5.537 1.00 0.00 C ATOM 448 C PHE A 29 19.434 14.517 -5.014 1.00 0.00 C ATOM 449 O PHE A 29 19.316 15.022 -3.899 1.00 0.00 O ATOM 450 CB PHE A 29 18.514 12.181 -5.020 1.00 0.00 C ATOM 451 CG PHE A 29 17.257 11.335 -4.957 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.772 10.675 -6.100 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.580 11.186 -3.730 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.620 9.879 -6.015 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.426 10.391 -3.645 1.00 0.00 C ATOM 456 CZ PHE A 29 14.945 9.739 -4.789 1.00 0.00 C ATOM 0 H PHE A 29 18.688 12.835 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 29 17.375 14.014 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.239 11.678 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.950 12.230 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.287 10.781 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.952 11.687 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.250 9.372 -6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.911 10.282 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.056 9.129 -4.729 1.00 0.00 H new ATOM 466 N ASN A 30 20.508 14.774 -5.773 1.00 0.00 N ATOM 467 CA ASN A 30 21.613 15.618 -5.297 1.00 0.00 C ATOM 468 C ASN A 30 21.188 17.082 -5.083 1.00 0.00 C ATOM 469 O ASN A 30 21.927 17.862 -4.484 1.00 0.00 O ATOM 470 CB ASN A 30 22.821 15.527 -6.235 1.00 0.00 C ATOM 471 CG ASN A 30 24.028 16.313 -5.725 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.507 16.097 -4.617 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.561 17.226 -6.523 1.00 0.00 N ATOM 0 H ASN A 30 20.635 14.410 -6.717 1.00 0.00 H new ATOM 0 HA ASN A 30 21.906 15.230 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.101 14.481 -6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.540 15.901 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.377 17.756 -6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.156 17.399 -7.443 1.00 0.00 H new ATOM 480 N GLN A 31 19.992 17.465 -5.545 1.00 0.00 N ATOM 481 CA GLN A 31 19.381 18.751 -5.234 1.00 0.00 C ATOM 482 C GLN A 31 19.255 18.964 -3.716 1.00 0.00 C ATOM 483 O GLN A 31 19.314 20.107 -3.259 1.00 0.00 O ATOM 484 CB GLN A 31 17.995 18.854 -5.894 1.00 0.00 C ATOM 485 CG GLN A 31 18.059 18.839 -7.428 1.00 0.00 C ATOM 486 CD GLN A 31 16.667 18.985 -8.046 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.289 20.050 -8.528 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.870 17.929 -8.036 1.00 0.00 N ATOM 0 H GLN A 31 19.419 16.879 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 31 20.030 19.531 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.374 18.025 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.509 19.773 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.700 19.650 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.513 17.907 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.194 17.050 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.932 17.994 -8.431 1.00 0.00 H new ATOM 497 N PHE A 32 19.084 17.892 -2.933 1.00 0.00 N ATOM 498 CA PHE A 32 18.954 17.979 -1.482 1.00 0.00 C ATOM 499 C PHE A 32 20.356 17.924 -0.859 1.00 0.00 C ATOM 500 O PHE A 32 21.157 17.078 -1.272 1.00 0.00 O ATOM 501 CB PHE A 32 18.063 16.839 -0.966 1.00 0.00 C ATOM 502 CG PHE A 32 16.764 16.692 -1.747 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.813 17.733 -1.764 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.551 15.553 -2.545 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.683 17.642 -2.599 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.424 15.460 -3.374 1.00 0.00 C ATOM 507 CZ PHE A 32 14.499 16.511 -3.417 1.00 0.00 C ATOM 0 H PHE A 32 19.032 16.939 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 32 18.480 18.919 -1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.618 15.902 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.830 17.016 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.951 18.601 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.263 14.742 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.956 18.441 -2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.269 14.579 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.646 16.454 -4.077 1.00 0.00 H new ATOM 517 N PRO A 33 20.669 18.755 0.155 1.00 0.00 N ATOM 518 CA PRO A 33 22.012 18.906 0.728 1.00 0.00 C ATOM 519 C PRO A 33 22.425 17.732 1.648 1.00 0.00 C ATOM 520 O PRO A 33 23.146 17.924 2.631 1.00 0.00 O ATOM 521 CB PRO A 33 21.974 20.268 1.441 1.00 0.00 C ATOM 522 CG PRO A 33 20.528 20.373 1.911 1.00 0.00 C ATOM 523 CD PRO A 33 19.761 19.723 0.762 1.00 0.00 C ATOM 0 HA PRO A 33 22.785 18.878 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.673 20.305 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.239 21.083 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.368 19.849 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.226 21.409 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.858 19.233 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.446 20.470 0.033 1.00 0.00 H new ATOM 531 N GLY A 34 21.974 16.513 1.341 1.00 0.00 N ATOM 532 CA GLY A 34 22.246 15.305 2.107 1.00 0.00 C ATOM 533 C GLY A 34 22.527 14.089 1.237 1.00 0.00 C ATOM 534 O GLY A 34 22.926 13.064 1.788 1.00 0.00 O ATOM 0 H GLY A 34 21.390 16.339 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.102 15.482 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.393 15.092 2.751 1.00 0.00 H new ATOM 538 N PHE A 35 22.338 14.166 -0.083 1.00 0.00 N ATOM 539 CA PHE A 35 22.631 13.090 -1.008 1.00 0.00 C ATOM 540 C PHE A 35 24.076 12.621 -0.858 1.00 0.00 C ATOM 541 O PHE A 35 24.983 13.423 -0.619 1.00 0.00 O ATOM 542 CB PHE A 35 22.389 13.637 -2.413 1.00 0.00 C ATOM 543 CG PHE A 35 22.800 12.730 -3.552 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.878 11.818 -4.088 1.00 0.00 C ATOM 545 CD2 PHE A 35 24.090 12.827 -4.107 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.228 11.026 -5.189 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.448 12.021 -5.201 1.00 0.00 C ATOM 548 CZ PHE A 35 23.514 11.126 -5.744 1.00 0.00 C ATOM 0 H PHE A 35 21.969 15.000 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 35 21.995 12.228 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.328 13.862 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.926 14.580 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.895 11.726 -3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.805 13.522 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.509 10.339 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.440 12.090 -5.623 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.785 10.513 -6.591 1.00 0.00 H new ATOM 558 N LYS A 36 24.283 11.325 -1.077 1.00 0.00 N ATOM 559 CA LYS A 36 25.605 10.697 -1.122 1.00 0.00 C ATOM 560 C LYS A 36 25.769 10.003 -2.466 1.00 0.00 C ATOM 561 O LYS A 36 26.722 10.329 -3.175 1.00 0.00 O ATOM 562 CB LYS A 36 25.830 9.676 0.015 1.00 0.00 C ATOM 563 CG LYS A 36 25.585 10.145 1.458 1.00 0.00 C ATOM 564 CD LYS A 36 26.725 10.907 2.145 1.00 0.00 C ATOM 565 CE LYS A 36 26.921 12.302 1.546 1.00 0.00 C ATOM 566 NZ LYS A 36 27.515 13.253 2.518 1.00 0.00 N ATOM 0 H LYS A 36 23.520 10.666 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 36 26.347 11.484 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.184 8.818 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.859 9.321 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 36 24.701 10.783 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.349 9.270 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.512 10.996 3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 36 27.650 10.338 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.565 12.232 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.960 12.687 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.832 14.108 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 26.803 13.512 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.328 12.806 2.988 1.00 0.00 H new ATOM 580 N GLU A 37 24.881 9.066 -2.827 1.00 0.00 N ATOM 581 CA GLU A 37 25.088 8.245 -4.026 1.00 0.00 C ATOM 582 C GLU A 37 23.815 7.526 -4.484 1.00 0.00 C ATOM 583 O GLU A 37 22.785 7.567 -3.812 1.00 0.00 O ATOM 584 CB GLU A 37 26.240 7.234 -3.803 1.00 0.00 C ATOM 585 CG GLU A 37 26.050 6.262 -2.632 1.00 0.00 C ATOM 586 CD GLU A 37 27.218 5.266 -2.503 1.00 0.00 C ATOM 587 OE1 GLU A 37 28.381 5.689 -2.306 1.00 0.00 O ATOM 588 OE2 GLU A 37 26.974 4.041 -2.582 1.00 0.00 O ATOM 0 H GLU A 37 24.024 8.860 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 37 25.365 8.928 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.372 6.654 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 27.163 7.791 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.954 6.828 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 37 25.119 5.711 -2.767 1.00 0.00 H new ATOM 595 N VAL A 38 23.917 6.826 -5.617 1.00 0.00 N ATOM 596 CA VAL A 38 22.889 5.987 -6.227 1.00 0.00 C ATOM 597 C VAL A 38 23.541 4.639 -6.549 1.00 0.00 C ATOM 598 O VAL A 38 24.739 4.577 -6.840 1.00 0.00 O ATOM 599 CB VAL A 38 22.351 6.671 -7.506 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.354 5.813 -8.304 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.674 8.002 -7.176 1.00 0.00 C ATOM 0 H VAL A 38 24.777 6.833 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 38 22.042 5.839 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 38 23.233 6.825 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.024 6.363 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.838 4.887 -8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.492 5.580 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.306 8.460 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.839 7.827 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.394 8.669 -6.701 1.00 0.00 H new ATOM 611 N ARG A 39 22.742 3.568 -6.543 1.00 0.00 N ATOM 612 CA ARG A 39 23.116 2.241 -7.014 1.00 0.00 C ATOM 613 C ARG A 39 21.958 1.763 -7.885 1.00 0.00 C ATOM 614 O ARG A 39 20.934 1.300 -7.380 1.00 0.00 O ATOM 615 CB ARG A 39 23.431 1.290 -5.841 1.00 0.00 C ATOM 616 CG ARG A 39 24.571 1.817 -4.954 1.00 0.00 C ATOM 617 CD ARG A 39 24.924 0.847 -3.826 1.00 0.00 C ATOM 618 NE ARG A 39 25.911 1.463 -2.928 1.00 0.00 N ATOM 619 CZ ARG A 39 26.566 0.887 -1.918 1.00 0.00 C ATOM 620 NH1 ARG A 39 26.382 -0.393 -1.608 1.00 0.00 N ATOM 621 NH2 ARG A 39 27.410 1.645 -1.233 1.00 0.00 N ATOM 0 H ARG A 39 21.783 3.608 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 39 24.037 2.263 -7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.535 1.154 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.702 0.310 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.454 1.994 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.282 2.777 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.026 0.583 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.325 -0.078 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 39 26.120 2.447 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 39 25.727 -0.959 -2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 39 26.896 -0.808 -0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.536 2.625 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.933 1.249 -0.452 1.00 0.00 H new ATOM 635 N LEU A 40 22.075 1.988 -9.194 1.00 0.00 N ATOM 636 CA LEU A 40 21.158 1.465 -10.198 1.00 0.00 C ATOM 637 C LEU A 40 21.299 -0.059 -10.232 1.00 0.00 C ATOM 638 O LEU A 40 22.256 -0.627 -9.697 1.00 0.00 O ATOM 639 CB LEU A 40 21.504 2.099 -11.571 1.00 0.00 C ATOM 640 CG LEU A 40 20.334 2.701 -12.374 1.00 0.00 C ATOM 641 CD1 LEU A 40 19.251 1.677 -12.719 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.707 3.906 -11.663 1.00 0.00 C ATOM 0 H LEU A 40 22.827 2.551 -9.591 1.00 0.00 H new ATOM 0 HA LEU A 40 20.124 1.714 -9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.242 2.884 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.981 1.337 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 40 20.776 3.039 -13.311 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.456 2.164 -13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.685 0.877 -13.319 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.839 1.259 -11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 40 18.887 4.298 -12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.327 3.597 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.461 4.682 -11.528 1.00 0.00 H new ATOM 654 N VAL A 41 20.387 -0.715 -10.941 1.00 0.00 N ATOM 655 CA VAL A 41 20.464 -2.127 -11.272 1.00 0.00 C ATOM 656 C VAL A 41 20.508 -2.146 -12.797 1.00 0.00 C ATOM 657 O VAL A 41 19.450 -2.251 -13.414 1.00 0.00 O ATOM 658 CB VAL A 41 19.298 -2.913 -10.626 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.472 -4.425 -10.839 1.00 0.00 C ATOM 660 CG2 VAL A 41 19.192 -2.643 -9.112 1.00 0.00 C ATOM 0 H VAL A 41 19.551 -0.263 -11.310 1.00 0.00 H new ATOM 0 HA VAL A 41 21.341 -2.637 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 41 18.386 -2.569 -11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.640 -4.956 -10.376 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.492 -4.642 -11.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.408 -4.751 -10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.361 -3.214 -8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.118 -2.944 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 41 19.021 -1.580 -8.943 1.00 0.00 H new ATOM 670 N PRO A 42 21.682 -1.988 -13.442 1.00 0.00 N ATOM 671 CA PRO A 42 21.820 -1.869 -14.899 1.00 0.00 C ATOM 672 C PRO A 42 21.603 -3.201 -15.646 1.00 0.00 C ATOM 673 O PRO A 42 22.167 -3.452 -16.713 1.00 0.00 O ATOM 674 CB PRO A 42 23.206 -1.248 -15.117 1.00 0.00 C ATOM 675 CG PRO A 42 24.008 -1.807 -13.947 1.00 0.00 C ATOM 676 CD PRO A 42 22.984 -1.800 -12.814 1.00 0.00 C ATOM 0 HA PRO A 42 21.040 -1.239 -15.326 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.634 -1.538 -16.077 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.170 -0.159 -15.100 1.00 0.00 H new ATOM 0 HG2 PRO A 42 24.380 -2.811 -14.152 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.874 -1.187 -13.715 1.00 0.00 H new ATOM 0 HD2 PRO A 42 23.190 -2.596 -12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 42 23.019 -0.860 -12.264 1.00 0.00 H new ATOM 684 N ASN A 43 20.771 -4.059 -15.059 1.00 0.00 N ATOM 685 CA ASN A 43 20.226 -5.286 -15.599 1.00 0.00 C ATOM 686 C ASN A 43 18.693 -5.283 -15.517 1.00 0.00 C ATOM 687 O ASN A 43 18.069 -6.186 -16.078 1.00 0.00 O ATOM 688 CB ASN A 43 20.801 -6.512 -14.863 1.00 0.00 C ATOM 689 CG ASN A 43 22.314 -6.625 -14.997 1.00 0.00 C ATOM 690 OD1 ASN A 43 22.830 -7.103 -16.004 1.00 0.00 O ATOM 691 ND2 ASN A 43 23.059 -6.185 -13.994 1.00 0.00 N ATOM 0 H ASN A 43 20.437 -3.891 -14.110 1.00 0.00 H new ATOM 0 HA ASN A 43 20.515 -5.349 -16.648 1.00 0.00 H new ATOM 0 HB2 ASN A 43 20.538 -6.452 -13.807 1.00 0.00 H new ATOM 0 HB3 ASN A 43 20.337 -7.417 -15.256 1.00 0.00 H new ATOM 0 HD21 ASN A 43 24.076 -6.241 -14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 43 22.616 -5.791 -13.164 1.00 0.00 H new ATOM 698 N ARG A 44 18.062 -4.297 -14.848 1.00 0.00 N ATOM 699 CA ARG A 44 16.601 -4.197 -14.764 1.00 0.00 C ATOM 700 C ARG A 44 16.122 -2.751 -14.888 1.00 0.00 C ATOM 701 O ARG A 44 15.103 -2.540 -15.539 1.00 0.00 O ATOM 702 CB ARG A 44 16.122 -4.910 -13.479 1.00 0.00 C ATOM 703 CG ARG A 44 14.602 -4.997 -13.213 1.00 0.00 C ATOM 704 CD ARG A 44 13.740 -5.677 -14.295 1.00 0.00 C ATOM 705 NE ARG A 44 13.474 -4.769 -15.422 1.00 0.00 N ATOM 706 CZ ARG A 44 12.466 -4.784 -16.298 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.537 -5.734 -16.273 1.00 0.00 N ATOM 708 NH2 ARG A 44 12.423 -3.810 -17.200 1.00 0.00 N ATOM 0 H ARG A 44 18.554 -3.552 -14.354 1.00 0.00 H new ATOM 0 HA ARG A 44 16.145 -4.707 -15.612 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.515 -5.926 -13.496 1.00 0.00 H new ATOM 0 HB3 ARG A 44 16.580 -4.406 -12.628 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.452 -5.532 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.225 -3.985 -13.066 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.248 -6.570 -14.658 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.796 -6.003 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 44 14.156 -4.022 -15.553 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.584 -6.475 -15.573 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.777 -5.722 -16.954 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.143 -3.088 -17.205 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.670 -3.784 -17.887 1.00 0.00 H new ATOM 722 N HIS A 45 16.838 -1.766 -14.343 1.00 0.00 N ATOM 723 CA HIS A 45 16.587 -0.319 -14.423 1.00 0.00 C ATOM 724 C HIS A 45 15.275 0.171 -13.779 1.00 0.00 C ATOM 725 O HIS A 45 15.222 1.319 -13.342 1.00 0.00 O ATOM 726 CB HIS A 45 16.688 0.186 -15.872 1.00 0.00 C ATOM 727 CG HIS A 45 17.977 -0.159 -16.578 1.00 0.00 C ATOM 728 ND1 HIS A 45 19.082 0.652 -16.698 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.246 -1.308 -17.275 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.994 0.009 -17.446 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.535 -1.201 -17.815 1.00 0.00 N ATOM 0 H HIS A 45 17.672 -1.970 -13.792 1.00 0.00 H new ATOM 0 HA HIS A 45 17.381 0.117 -13.816 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.856 -0.226 -16.444 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.569 1.270 -15.873 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.190 1.580 -16.290 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.580 -2.150 -17.389 1.00 0.00 H new ATOM 0 HE1 HIS A 45 20.961 0.408 -17.714 1.00 0.00 H new ATOM 739 N ASP A 46 14.251 -0.682 -13.679 1.00 0.00 N ATOM 740 CA ASP A 46 12.928 -0.399 -13.116 1.00 0.00 C ATOM 741 C ASP A 46 12.987 -0.206 -11.599 1.00 0.00 C ATOM 742 O ASP A 46 12.041 0.315 -11.009 1.00 0.00 O ATOM 743 CB ASP A 46 11.990 -1.565 -13.466 1.00 0.00 C ATOM 744 CG ASP A 46 10.602 -1.464 -12.802 1.00 0.00 C ATOM 745 OD1 ASP A 46 9.771 -0.641 -13.242 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.309 -2.274 -11.894 1.00 0.00 O ATOM 0 H ASP A 46 14.328 -1.644 -14.008 1.00 0.00 H new ATOM 0 HA ASP A 46 12.555 0.532 -13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.863 -1.606 -14.548 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.460 -2.501 -13.165 1.00 0.00 H new ATOM 751 N ILE A 47 14.103 -0.594 -10.972 1.00 0.00 N ATOM 752 CA ILE A 47 14.369 -0.440 -9.553 1.00 0.00 C ATOM 753 C ILE A 47 15.800 0.080 -9.359 1.00 0.00 C ATOM 754 O ILE A 47 16.654 -0.095 -10.236 1.00 0.00 O ATOM 755 CB ILE A 47 14.077 -1.746 -8.766 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.235 -2.765 -8.704 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.781 -2.438 -9.229 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.630 -3.440 -10.017 1.00 0.00 C ATOM 0 H ILE A 47 14.873 -1.042 -11.468 1.00 0.00 H new ATOM 0 HA ILE A 47 13.687 0.300 -9.135 1.00 0.00 H new ATOM 0 HB ILE A 47 13.948 -1.389 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 47 16.113 -2.257 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.965 -3.543 -7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.625 -3.346 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.937 -1.764 -9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.863 -2.695 -10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.453 -4.131 -9.837 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.776 -3.988 -10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.942 -2.683 -10.736 1.00 0.00 H new ATOM 770 N ALA A 48 16.060 0.713 -8.215 1.00 0.00 N ATOM 771 CA ALA A 48 17.334 1.332 -7.863 1.00 0.00 C ATOM 772 C ALA A 48 17.415 1.514 -6.348 1.00 0.00 C ATOM 773 O ALA A 48 16.425 1.317 -5.643 1.00 0.00 O ATOM 774 CB ALA A 48 17.429 2.705 -8.542 1.00 0.00 C ATOM 0 H ALA A 48 15.360 0.811 -7.480 1.00 0.00 H new ATOM 0 HA ALA A 48 18.153 0.695 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.379 3.174 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.368 2.581 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.608 3.337 -8.202 1.00 0.00 H new ATOM 780 N PHE A 49 18.568 1.967 -5.860 1.00 0.00 N ATOM 781 CA PHE A 49 18.775 2.376 -4.480 1.00 0.00 C ATOM 782 C PHE A 49 19.468 3.738 -4.481 1.00 0.00 C ATOM 783 O PHE A 49 20.175 4.074 -5.435 1.00 0.00 O ATOM 784 CB PHE A 49 19.630 1.347 -3.721 1.00 0.00 C ATOM 785 CG PHE A 49 19.033 -0.042 -3.577 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.030 -0.932 -4.672 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.512 -0.459 -2.335 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.479 -2.219 -4.543 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.991 -1.758 -2.196 1.00 0.00 C ATOM 790 CZ PHE A 49 17.972 -2.637 -3.298 1.00 0.00 C ATOM 0 H PHE A 49 19.406 2.061 -6.434 1.00 0.00 H new ATOM 0 HA PHE A 49 17.812 2.442 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.590 1.257 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.833 1.738 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.454 -0.622 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.513 0.217 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.445 -2.883 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.604 -2.083 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.568 -3.632 -3.187 1.00 0.00 H new ATOM 800 N VAL A 50 19.296 4.510 -3.411 1.00 0.00 N ATOM 801 CA VAL A 50 19.882 5.836 -3.233 1.00 0.00 C ATOM 802 C VAL A 50 20.334 5.922 -1.770 1.00 0.00 C ATOM 803 O VAL A 50 19.628 5.423 -0.891 1.00 0.00 O ATOM 804 CB VAL A 50 18.838 6.923 -3.604 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.443 8.333 -3.564 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.217 6.714 -4.997 1.00 0.00 C ATOM 0 H VAL A 50 18.725 4.220 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 50 20.739 6.003 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 50 18.057 6.826 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.680 9.064 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.812 8.542 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.268 8.395 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.496 7.506 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.002 6.739 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.713 5.748 -5.029 1.00 0.00 H new ATOM 816 N GLU A 51 21.485 6.539 -1.493 1.00 0.00 N ATOM 817 CA GLU A 51 22.049 6.664 -0.152 1.00 0.00 C ATOM 818 C GLU A 51 22.295 8.142 0.152 1.00 0.00 C ATOM 819 O GLU A 51 22.682 8.920 -0.732 1.00 0.00 O ATOM 820 CB GLU A 51 23.331 5.822 -0.053 1.00 0.00 C ATOM 821 CG GLU A 51 24.113 6.027 1.255 1.00 0.00 C ATOM 822 CD GLU A 51 25.330 5.088 1.348 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.156 3.884 1.644 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.476 5.555 1.162 1.00 0.00 O ATOM 0 H GLU A 51 22.062 6.975 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 51 21.354 6.283 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.070 4.768 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.980 6.066 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.447 7.062 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.453 5.851 2.104 1.00 0.00 H new ATOM 831 N PHE A 52 22.054 8.490 1.419 1.00 0.00 N ATOM 832 CA PHE A 52 22.005 9.826 1.986 1.00 0.00 C ATOM 833 C PHE A 52 22.806 9.879 3.291 1.00 0.00 C ATOM 834 O PHE A 52 23.157 8.853 3.880 1.00 0.00 O ATOM 835 CB PHE A 52 20.537 10.202 2.251 1.00 0.00 C ATOM 836 CG PHE A 52 19.925 11.042 1.153 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.696 10.485 -0.117 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.627 12.396 1.389 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.216 11.292 -1.159 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.128 13.199 0.352 1.00 0.00 C ATOM 841 CZ PHE A 52 18.945 12.651 -0.930 1.00 0.00 C ATOM 0 H PHE A 52 21.874 7.779 2.128 1.00 0.00 H new ATOM 0 HA PHE A 52 22.445 10.535 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.952 9.290 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.473 10.746 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.889 9.437 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.783 12.819 2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 52 19.055 10.868 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.885 14.235 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.596 13.275 -1.739 1.00 0.00 H new ATOM 851 N THR A 53 23.079 11.100 3.741 1.00 0.00 N ATOM 852 CA THR A 53 23.811 11.412 4.958 1.00 0.00 C ATOM 853 C THR A 53 22.997 11.042 6.198 1.00 0.00 C ATOM 854 O THR A 53 23.529 10.417 7.117 1.00 0.00 O ATOM 855 CB THR A 53 24.114 12.920 4.951 1.00 0.00 C ATOM 856 OG1 THR A 53 24.934 13.242 3.841 1.00 0.00 O ATOM 857 CG2 THR A 53 24.787 13.394 6.238 1.00 0.00 C ATOM 0 H THR A 53 22.780 11.937 3.241 1.00 0.00 H new ATOM 0 HA THR A 53 24.735 10.835 4.991 1.00 0.00 H new ATOM 0 HB THR A 53 23.157 13.436 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.396 13.227 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.977 14.466 6.176 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.134 13.190 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.731 12.865 6.371 1.00 0.00 H new ATOM 865 N THR A 54 21.718 11.417 6.224 1.00 0.00 N ATOM 866 CA THR A 54 20.895 11.339 7.414 1.00 0.00 C ATOM 867 C THR A 54 19.480 10.929 7.034 1.00 0.00 C ATOM 868 O THR A 54 18.977 11.257 5.958 1.00 0.00 O ATOM 869 CB THR A 54 20.909 12.698 8.152 1.00 0.00 C ATOM 870 OG1 THR A 54 21.194 13.792 7.286 1.00 0.00 O ATOM 871 CG2 THR A 54 21.955 12.702 9.267 1.00 0.00 C ATOM 0 H THR A 54 21.227 11.785 5.409 1.00 0.00 H new ATOM 0 HA THR A 54 21.297 10.584 8.090 1.00 0.00 H new ATOM 0 HB THR A 54 19.906 12.822 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.189 14.626 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.946 13.668 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.724 11.916 9.985 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.942 12.525 8.840 1.00 0.00 H new ATOM 879 N GLU A 55 18.848 10.224 7.965 1.00 0.00 N ATOM 880 CA GLU A 55 17.518 9.635 7.820 1.00 0.00 C ATOM 881 C GLU A 55 16.453 10.721 7.612 1.00 0.00 C ATOM 882 O GLU A 55 15.453 10.512 6.929 1.00 0.00 O ATOM 883 CB GLU A 55 17.154 8.783 9.053 1.00 0.00 C ATOM 884 CG GLU A 55 18.217 7.764 9.505 1.00 0.00 C ATOM 885 CD GLU A 55 19.178 8.325 10.571 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.050 9.157 10.232 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.073 7.930 11.755 1.00 0.00 O ATOM 0 H GLU A 55 19.263 10.039 8.878 1.00 0.00 H new ATOM 0 HA GLU A 55 17.541 8.992 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.945 9.455 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.231 8.245 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.718 6.880 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.794 7.441 8.638 1.00 0.00 H new ATOM 894 N LEU A 56 16.672 11.903 8.201 1.00 0.00 N ATOM 895 CA LEU A 56 15.790 13.053 8.028 1.00 0.00 C ATOM 896 C LEU A 56 15.876 13.571 6.592 1.00 0.00 C ATOM 897 O LEU A 56 14.863 13.995 6.035 1.00 0.00 O ATOM 898 CB LEU A 56 16.167 14.176 9.014 1.00 0.00 C ATOM 899 CG LEU A 56 15.492 14.061 10.395 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.878 12.787 11.161 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.860 15.282 11.246 1.00 0.00 C ATOM 0 H LEU A 56 17.469 12.084 8.811 1.00 0.00 H new ATOM 0 HA LEU A 56 14.767 12.737 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.248 14.176 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.901 15.136 8.572 1.00 0.00 H new ATOM 0 HG LEU A 56 14.418 14.013 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.367 12.772 12.123 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.586 11.911 10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.956 12.772 11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.383 15.202 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.942 15.325 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.517 16.189 10.748 1.00 0.00 H new ATOM 913 N GLN A 57 17.065 13.545 5.982 1.00 0.00 N ATOM 914 CA GLN A 57 17.250 14.093 4.647 1.00 0.00 C ATOM 915 C GLN A 57 16.795 13.099 3.579 1.00 0.00 C ATOM 916 O GLN A 57 16.191 13.532 2.598 1.00 0.00 O ATOM 917 CB GLN A 57 18.698 14.548 4.435 1.00 0.00 C ATOM 918 CG GLN A 57 19.051 15.697 5.392 1.00 0.00 C ATOM 919 CD GLN A 57 20.298 16.441 4.928 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.211 17.480 4.281 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.478 15.920 5.213 1.00 0.00 N ATOM 0 H GLN A 57 17.909 13.149 6.396 1.00 0.00 H new ATOM 0 HA GLN A 57 16.620 14.977 4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.376 13.710 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.835 14.872 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.213 16.391 5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.213 15.301 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.537 15.056 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.330 16.382 4.894 1.00 0.00 H new ATOM 930 N SER A 58 16.995 11.790 3.771 1.00 0.00 N ATOM 931 CA SER A 58 16.383 10.806 2.885 1.00 0.00 C ATOM 932 C SER A 58 14.861 10.902 2.986 1.00 0.00 C ATOM 933 O SER A 58 14.190 10.875 1.959 1.00 0.00 O ATOM 934 CB SER A 58 16.862 9.393 3.214 1.00 0.00 C ATOM 935 OG SER A 58 16.750 9.147 4.595 1.00 0.00 O ATOM 0 H SER A 58 17.566 11.397 4.519 1.00 0.00 H new ATOM 0 HA SER A 58 16.686 11.022 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.272 8.664 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.898 9.271 2.899 1.00 0.00 H new ATOM 0 HG SER A 58 16.465 8.221 4.740 1.00 0.00 H new ATOM 941 N ASN A 59 14.308 11.078 4.194 1.00 0.00 N ATOM 942 CA ASN A 59 12.875 11.285 4.380 1.00 0.00 C ATOM 943 C ASN A 59 12.383 12.513 3.615 1.00 0.00 C ATOM 944 O ASN A 59 11.393 12.429 2.895 1.00 0.00 O ATOM 945 CB ASN A 59 12.524 11.396 5.869 1.00 0.00 C ATOM 946 CG ASN A 59 11.040 11.690 6.071 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.176 10.975 5.576 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.711 12.738 6.807 1.00 0.00 N ATOM 0 H ASN A 59 14.843 11.080 5.062 1.00 0.00 H new ATOM 0 HA ASN A 59 12.363 10.413 3.973 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.785 10.467 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.119 12.187 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.729 12.960 6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.440 13.325 7.213 1.00 0.00 H new ATOM 955 N ALA A 60 13.089 13.640 3.712 1.00 0.00 N ATOM 956 CA ALA A 60 12.725 14.851 2.981 1.00 0.00 C ATOM 957 C ALA A 60 12.763 14.624 1.467 1.00 0.00 C ATOM 958 O ALA A 60 11.832 15.010 0.759 1.00 0.00 O ATOM 959 CB ALA A 60 13.643 16.006 3.393 1.00 0.00 C ATOM 0 H ALA A 60 13.921 13.738 4.294 1.00 0.00 H new ATOM 0 HA ALA A 60 11.699 15.113 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.365 16.905 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.541 16.188 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.677 15.747 3.166 1.00 0.00 H new ATOM 965 N ALA A 61 13.810 13.965 0.971 1.00 0.00 N ATOM 966 CA ALA A 61 13.952 13.657 -0.446 1.00 0.00 C ATOM 967 C ALA A 61 12.848 12.706 -0.920 1.00 0.00 C ATOM 968 O ALA A 61 12.304 12.874 -2.011 1.00 0.00 O ATOM 969 CB ALA A 61 15.328 13.045 -0.705 1.00 0.00 C ATOM 0 H ALA A 61 14.584 13.630 1.545 1.00 0.00 H new ATOM 0 HA ALA A 61 13.858 14.584 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.431 12.816 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.102 13.753 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.434 12.129 -0.124 1.00 0.00 H new ATOM 975 N LYS A 62 12.492 11.720 -0.094 1.00 0.00 N ATOM 976 CA LYS A 62 11.407 10.786 -0.352 1.00 0.00 C ATOM 977 C LYS A 62 10.093 11.551 -0.468 1.00 0.00 C ATOM 978 O LYS A 62 9.389 11.383 -1.458 1.00 0.00 O ATOM 979 CB LYS A 62 11.391 9.731 0.766 1.00 0.00 C ATOM 980 CG LYS A 62 10.210 8.761 0.672 1.00 0.00 C ATOM 981 CD LYS A 62 10.258 7.765 1.832 1.00 0.00 C ATOM 982 CE LYS A 62 9.081 6.796 1.708 1.00 0.00 C ATOM 983 NZ LYS A 62 8.950 5.942 2.905 1.00 0.00 N ATOM 0 H LYS A 62 12.965 11.549 0.793 1.00 0.00 H new ATOM 0 HA LYS A 62 11.551 10.264 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.321 9.163 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.360 10.236 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.271 9.315 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.242 8.227 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.200 7.216 1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.211 8.294 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.160 7.359 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.217 6.169 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.954 5.912 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.273 4.979 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.530 6.332 3.675 1.00 0.00 H new ATOM 997 N GLU A 63 9.776 12.418 0.495 1.00 0.00 N ATOM 998 CA GLU A 63 8.556 13.220 0.467 1.00 0.00 C ATOM 999 C GLU A 63 8.511 14.085 -0.800 1.00 0.00 C ATOM 1000 O GLU A 63 7.451 14.251 -1.404 1.00 0.00 O ATOM 1001 CB GLU A 63 8.479 14.101 1.725 1.00 0.00 C ATOM 1002 CG GLU A 63 8.208 13.319 3.020 1.00 0.00 C ATOM 1003 CD GLU A 63 6.736 12.883 3.142 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.914 13.653 3.691 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.385 11.763 2.709 1.00 0.00 O ATOM 0 H GLU A 63 10.359 12.583 1.316 1.00 0.00 H new ATOM 0 HA GLU A 63 7.695 12.551 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.416 14.647 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.692 14.843 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.849 12.438 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.474 13.937 3.878 1.00 0.00 H new ATOM 1012 N ALA A 64 9.666 14.617 -1.208 1.00 0.00 N ATOM 1013 CA ALA A 64 9.791 15.497 -2.358 1.00 0.00 C ATOM 1014 C ALA A 64 9.623 14.768 -3.699 1.00 0.00 C ATOM 1015 O ALA A 64 9.038 15.346 -4.617 1.00 0.00 O ATOM 1016 CB ALA A 64 11.165 16.163 -2.313 1.00 0.00 C ATOM 0 H ALA A 64 10.553 14.441 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 64 8.988 16.232 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.275 16.828 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.260 16.739 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.941 15.398 -2.344 1.00 0.00 H new ATOM 1022 N LEU A 65 10.125 13.531 -3.831 1.00 0.00 N ATOM 1023 CA LEU A 65 10.215 12.845 -5.126 1.00 0.00 C ATOM 1024 C LEU A 65 9.326 11.607 -5.242 1.00 0.00 C ATOM 1025 O LEU A 65 9.248 11.043 -6.334 1.00 0.00 O ATOM 1026 CB LEU A 65 11.680 12.496 -5.461 1.00 0.00 C ATOM 1027 CG LEU A 65 12.606 13.696 -5.732 1.00 0.00 C ATOM 1028 CD1 LEU A 65 14.017 13.186 -6.041 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.138 14.565 -6.909 1.00 0.00 C ATOM 0 H LEU A 65 10.478 12.982 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 65 9.833 13.554 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.095 11.919 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.689 11.848 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 65 12.589 14.315 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.676 14.033 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.394 12.619 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.987 12.542 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.833 15.393 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.106 13.962 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.143 14.957 -6.699 1.00 0.00 H new ATOM 1041 N GLN A 66 8.622 11.179 -4.190 1.00 0.00 N ATOM 1042 CA GLN A 66 7.610 10.135 -4.356 1.00 0.00 C ATOM 1043 C GLN A 66 6.589 10.604 -5.400 1.00 0.00 C ATOM 1044 O GLN A 66 6.039 11.704 -5.303 1.00 0.00 O ATOM 1045 CB GLN A 66 6.902 9.778 -3.035 1.00 0.00 C ATOM 1046 CG GLN A 66 7.611 8.646 -2.277 1.00 0.00 C ATOM 1047 CD GLN A 66 6.803 8.135 -1.079 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.095 8.881 -0.409 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.876 6.846 -0.779 1.00 0.00 N ATOM 0 H GLN A 66 8.730 11.529 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 66 8.110 9.226 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.856 10.663 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.874 9.482 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.799 7.819 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.582 9.000 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.464 6.225 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.344 6.475 0.008 1.00 0.00 H new ATOM 1058 N GLY A 67 6.346 9.754 -6.397 1.00 0.00 N ATOM 1059 CA GLY A 67 5.411 10.001 -7.485 1.00 0.00 C ATOM 1060 C GLY A 67 5.994 10.853 -8.619 1.00 0.00 C ATOM 1061 O GLY A 67 5.272 11.144 -9.573 1.00 0.00 O ATOM 0 H GLY A 67 6.810 8.849 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.082 9.045 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.527 10.499 -7.086 1.00 0.00 H new ATOM 1065 N PHE A 68 7.263 11.271 -8.545 1.00 0.00 N ATOM 1066 CA PHE A 68 7.888 12.121 -9.549 1.00 0.00 C ATOM 1067 C PHE A 68 8.020 11.344 -10.857 1.00 0.00 C ATOM 1068 O PHE A 68 8.645 10.283 -10.881 1.00 0.00 O ATOM 1069 CB PHE A 68 9.259 12.589 -9.040 1.00 0.00 C ATOM 1070 CG PHE A 68 10.004 13.508 -9.987 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.803 14.900 -9.923 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.904 12.973 -10.929 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.500 15.754 -10.797 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.593 13.828 -11.807 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.392 15.217 -11.742 1.00 0.00 C ATOM 0 H PHE A 68 7.886 11.023 -7.776 1.00 0.00 H new ATOM 0 HA PHE A 68 7.273 13.002 -9.733 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.122 13.103 -8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.877 11.713 -8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.113 15.313 -9.202 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.065 11.906 -10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.350 16.822 -10.742 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.278 13.416 -12.533 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.922 15.872 -12.417 1.00 0.00 H new ATOM 1085 N LYS A 69 7.448 11.856 -11.947 1.00 0.00 N ATOM 1086 CA LYS A 69 7.661 11.285 -13.279 1.00 0.00 C ATOM 1087 C LYS A 69 9.127 11.452 -13.648 1.00 0.00 C ATOM 1088 O LYS A 69 9.564 12.559 -13.965 1.00 0.00 O ATOM 1089 CB LYS A 69 6.767 11.945 -14.348 1.00 0.00 C ATOM 1090 CG LYS A 69 5.544 11.096 -14.709 1.00 0.00 C ATOM 1091 CD LYS A 69 4.551 10.884 -13.555 1.00 0.00 C ATOM 1092 CE LYS A 69 3.497 9.818 -13.896 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.544 10.239 -14.954 1.00 0.00 N ATOM 0 H LYS A 69 6.831 12.668 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 69 7.389 10.230 -13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.434 12.918 -13.986 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.357 12.125 -15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.021 11.570 -15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.885 10.123 -15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.094 10.584 -12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.054 11.826 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.004 8.908 -14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.938 9.570 -12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.608 9.828 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.472 11.276 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.884 9.907 -15.879 1.00 0.00 H new ATOM 1107 N ILE A 70 9.874 10.352 -13.624 1.00 0.00 N ATOM 1108 CA ILE A 70 11.226 10.337 -14.171 1.00 0.00 C ATOM 1109 C ILE A 70 11.062 10.413 -15.699 1.00 0.00 C ATOM 1110 O ILE A 70 11.738 11.198 -16.367 1.00 0.00 O ATOM 1111 CB ILE A 70 11.970 9.071 -13.713 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.058 8.994 -12.175 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.381 9.063 -14.316 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.571 7.641 -11.680 1.00 0.00 C ATOM 0 H ILE A 70 9.567 9.462 -13.233 1.00 0.00 H new ATOM 0 HA ILE A 70 11.829 11.174 -13.820 1.00 0.00 H new ATOM 0 HB ILE A 70 11.412 8.201 -14.060 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.718 9.783 -11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.073 9.182 -11.749 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.910 8.166 -13.992 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.312 9.071 -15.404 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.925 9.946 -13.981 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.612 7.644 -10.591 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.898 6.852 -12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.569 7.462 -12.080 1.00 0.00 H new ATOM 1126 N THR A 71 10.091 9.662 -16.227 1.00 0.00 N ATOM 1127 CA THR A 71 9.604 9.708 -17.599 1.00 0.00 C ATOM 1128 C THR A 71 8.070 9.657 -17.493 1.00 0.00 C ATOM 1129 O THR A 71 7.591 9.120 -16.490 1.00 0.00 O ATOM 1130 CB THR A 71 10.249 8.522 -18.357 1.00 0.00 C ATOM 1131 OG1 THR A 71 11.660 8.556 -18.219 1.00 0.00 O ATOM 1132 CG2 THR A 71 9.945 8.415 -19.852 1.00 0.00 C ATOM 0 H THR A 71 9.597 8.965 -15.670 1.00 0.00 H new ATOM 0 HA THR A 71 9.869 10.604 -18.161 1.00 0.00 H new ATOM 0 HB THR A 71 9.791 7.653 -17.885 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.054 7.800 -18.702 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.455 7.545 -20.266 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.870 8.309 -19.998 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.293 9.315 -20.359 1.00 0.00 H new ATOM 1140 N PRO A 72 7.286 10.211 -18.443 1.00 0.00 N ATOM 1141 CA PRO A 72 5.835 10.406 -18.324 1.00 0.00 C ATOM 1142 C PRO A 72 4.968 9.253 -17.801 1.00 0.00 C ATOM 1143 O PRO A 72 3.873 9.526 -17.309 1.00 0.00 O ATOM 1144 CB PRO A 72 5.366 10.864 -19.705 1.00 0.00 C ATOM 1145 CG PRO A 72 6.551 11.696 -20.180 1.00 0.00 C ATOM 1146 CD PRO A 72 7.747 10.912 -19.643 1.00 0.00 C ATOM 0 HA PRO A 72 5.691 11.132 -17.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.166 10.022 -20.368 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.450 11.452 -19.651 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.577 11.781 -21.266 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.520 12.710 -19.782 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.112 10.205 -20.388 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.574 11.582 -19.406 1.00 0.00 H new ATOM 1154 N THR A 73 5.424 8.001 -17.848 1.00 0.00 N ATOM 1155 CA THR A 73 4.672 6.826 -17.405 1.00 0.00 C ATOM 1156 C THR A 73 5.405 6.058 -16.291 1.00 0.00 C ATOM 1157 O THR A 73 5.058 4.916 -15.987 1.00 0.00 O ATOM 1158 CB THR A 73 4.335 5.967 -18.644 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.479 5.783 -19.465 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.262 6.643 -19.510 1.00 0.00 C ATOM 0 H THR A 73 6.351 7.770 -18.205 1.00 0.00 H new ATOM 0 HA THR A 73 3.734 7.133 -16.942 1.00 0.00 H new ATOM 0 HB THR A 73 3.976 5.009 -18.268 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.240 5.235 -20.241 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.045 6.016 -20.375 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.354 6.779 -18.923 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.625 7.614 -19.847 1.00 0.00 H new ATOM 1168 N HIS A 74 6.406 6.684 -15.663 1.00 0.00 N ATOM 1169 CA HIS A 74 7.291 6.082 -14.677 1.00 0.00 C ATOM 1170 C HIS A 74 7.408 7.040 -13.496 1.00 0.00 C ATOM 1171 O HIS A 74 8.406 7.748 -13.324 1.00 0.00 O ATOM 1172 CB HIS A 74 8.637 5.725 -15.318 1.00 0.00 C ATOM 1173 CG HIS A 74 8.513 4.671 -16.392 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.570 3.306 -16.212 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.307 4.889 -17.728 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.403 2.720 -17.409 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.234 3.646 -18.371 1.00 0.00 N ATOM 0 H HIS A 74 6.625 7.664 -15.840 1.00 0.00 H new ATOM 0 HA HIS A 74 6.888 5.141 -14.303 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.080 6.624 -15.747 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.320 5.371 -14.545 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.714 2.825 -15.324 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.216 5.854 -18.205 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.404 1.653 -17.576 1.00 0.00 H new ATOM 1185 N ALA A 75 6.322 7.108 -12.723 1.00 0.00 N ATOM 1186 CA ALA A 75 6.283 7.788 -11.439 1.00 0.00 C ATOM 1187 C ALA A 75 7.157 7.015 -10.450 1.00 0.00 C ATOM 1188 O ALA A 75 6.834 5.881 -10.091 1.00 0.00 O ATOM 1189 CB ALA A 75 4.836 7.862 -10.935 1.00 0.00 C ATOM 0 H ALA A 75 5.432 6.682 -12.982 1.00 0.00 H new ATOM 0 HA ALA A 75 6.662 8.805 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.812 8.373 -9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.228 8.413 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.438 6.854 -10.821 1.00 0.00 H new ATOM 1195 N MET A 76 8.253 7.634 -10.020 1.00 0.00 N ATOM 1196 CA MET A 76 9.185 7.131 -9.026 1.00 0.00 C ATOM 1197 C MET A 76 8.471 6.672 -7.752 1.00 0.00 C ATOM 1198 O MET A 76 7.958 7.500 -6.996 1.00 0.00 O ATOM 1199 CB MET A 76 10.167 8.267 -8.711 1.00 0.00 C ATOM 1200 CG MET A 76 11.296 7.835 -7.775 1.00 0.00 C ATOM 1201 SD MET A 76 12.362 9.192 -7.220 1.00 0.00 S ATOM 1202 CE MET A 76 12.995 9.870 -8.778 1.00 0.00 C ATOM 0 H MET A 76 8.526 8.549 -10.378 1.00 0.00 H new ATOM 0 HA MET A 76 9.705 6.257 -9.418 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.596 8.638 -9.642 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.623 9.096 -8.258 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.862 7.348 -6.902 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.909 7.091 -8.283 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.617 10.740 -8.570 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.589 9.113 -9.290 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.159 10.165 -9.413 1.00 0.00 H new ATOM 1212 N LYS A 77 8.444 5.365 -7.490 1.00 0.00 N ATOM 1213 CA LYS A 77 8.008 4.845 -6.199 1.00 0.00 C ATOM 1214 C LYS A 77 9.271 4.792 -5.339 1.00 0.00 C ATOM 1215 O LYS A 77 10.352 4.495 -5.851 1.00 0.00 O ATOM 1216 CB LYS A 77 7.350 3.468 -6.395 1.00 0.00 C ATOM 1217 CG LYS A 77 7.083 2.683 -5.100 1.00 0.00 C ATOM 1218 CD LYS A 77 6.117 3.334 -4.103 1.00 0.00 C ATOM 1219 CE LYS A 77 4.646 3.100 -4.472 1.00 0.00 C ATOM 1220 NZ LYS A 77 3.734 3.516 -3.375 1.00 0.00 N ATOM 0 H LYS A 77 8.721 4.647 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 77 7.254 5.464 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.405 3.606 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.989 2.866 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.690 1.702 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.036 2.518 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.306 2.936 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.312 4.406 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.404 3.657 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.490 2.045 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.772 3.177 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.064 3.110 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.727 4.554 -3.304 1.00 0.00 H new ATOM 1234 N ILE A 78 9.140 5.075 -4.043 1.00 0.00 N ATOM 1235 CA ILE A 78 10.242 5.122 -3.087 1.00 0.00 C ATOM 1236 C ILE A 78 9.768 4.384 -1.831 1.00 0.00 C ATOM 1237 O ILE A 78 8.598 4.507 -1.450 1.00 0.00 O ATOM 1238 CB ILE A 78 10.638 6.590 -2.765 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.758 7.487 -4.022 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.941 6.641 -1.946 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.171 8.938 -3.752 1.00 0.00 C ATOM 0 H ILE A 78 8.236 5.284 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 78 11.134 4.648 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 78 9.820 6.996 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.485 7.039 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.799 7.490 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.197 7.679 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.803 6.102 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.747 6.178 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.227 9.482 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.434 9.411 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.146 8.954 -3.266 1.00 0.00 H new ATOM 1253 N THR A 79 10.691 3.684 -1.181 1.00 0.00 N ATOM 1254 CA THR A 79 10.536 2.904 0.038 1.00 0.00 C ATOM 1255 C THR A 79 11.784 3.169 0.892 1.00 0.00 C ATOM 1256 O THR A 79 12.863 3.382 0.333 1.00 0.00 O ATOM 1257 CB THR A 79 10.484 1.409 -0.346 1.00 0.00 C ATOM 1258 OG1 THR A 79 9.595 1.173 -1.420 1.00 0.00 O ATOM 1259 CG2 THR A 79 10.033 0.506 0.799 1.00 0.00 C ATOM 0 H THR A 79 11.650 3.646 -1.525 1.00 0.00 H new ATOM 0 HA THR A 79 9.629 3.170 0.581 1.00 0.00 H new ATOM 0 HB THR A 79 11.511 1.167 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.589 0.217 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.019 -0.530 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.725 0.606 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.033 0.797 1.119 1.00 0.00 H new ATOM 1267 N PHE A 80 11.683 3.164 2.224 1.00 0.00 N ATOM 1268 CA PHE A 80 12.894 3.177 3.048 1.00 0.00 C ATOM 1269 C PHE A 80 13.566 1.809 2.892 1.00 0.00 C ATOM 1270 O PHE A 80 12.933 0.783 3.149 1.00 0.00 O ATOM 1271 CB PHE A 80 12.581 3.487 4.518 1.00 0.00 C ATOM 1272 CG PHE A 80 12.274 4.951 4.783 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.263 5.930 4.560 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.010 5.338 5.265 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.976 7.290 4.776 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.730 6.695 5.505 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.707 7.671 5.243 1.00 0.00 C ATOM 0 H PHE A 80 10.804 3.151 2.742 1.00 0.00 H new ATOM 0 HA PHE A 80 13.565 3.969 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.730 2.884 4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.430 3.186 5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.245 5.635 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.253 4.591 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.729 8.039 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.764 6.987 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.482 8.715 5.401 1.00 0.00 H new ATOM 1287 N ALA A 81 14.828 1.782 2.449 1.00 0.00 N ATOM 1288 CA ALA A 81 15.621 0.555 2.424 1.00 0.00 C ATOM 1289 C ALA A 81 16.041 0.190 3.854 1.00 0.00 C ATOM 1290 O ALA A 81 15.785 0.945 4.797 1.00 0.00 O ATOM 1291 CB ALA A 81 16.843 0.734 1.512 1.00 0.00 C ATOM 0 H ALA A 81 15.322 2.604 2.101 1.00 0.00 H new ATOM 0 HA ALA A 81 15.022 -0.262 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.427 -0.186 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.511 0.965 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.460 1.551 1.887 1.00 0.00 H new ATOM 1297 N LYS A 82 16.749 -0.930 4.011 1.00 0.00 N ATOM 1298 CA LYS A 82 17.216 -1.453 5.299 1.00 0.00 C ATOM 1299 C LYS A 82 18.739 -1.609 5.267 1.00 0.00 C ATOM 1300 O LYS A 82 19.362 -1.415 4.219 1.00 0.00 O ATOM 1301 CB LYS A 82 16.491 -2.781 5.598 1.00 0.00 C ATOM 1302 CG LYS A 82 14.998 -2.546 5.885 1.00 0.00 C ATOM 1303 CD LYS A 82 14.183 -3.842 6.032 1.00 0.00 C ATOM 1304 CE LYS A 82 14.604 -4.772 7.181 1.00 0.00 C ATOM 1305 NZ LYS A 82 14.519 -4.134 8.521 1.00 0.00 N ATOM 0 H LYS A 82 17.022 -1.517 3.223 1.00 0.00 H new ATOM 0 HA LYS A 82 16.980 -0.759 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.599 -3.457 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.957 -3.268 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.901 -1.961 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.572 -1.949 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.135 -3.576 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.249 -4.398 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.972 -5.660 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.627 -5.107 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.549 -4.868 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.321 -3.484 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.628 -3.603 8.597 1.00 0.00 H new ATOM 1319 N LYS A 83 19.338 -1.937 6.412 1.00 0.00 N ATOM 1320 CA LYS A 83 20.780 -2.072 6.598 1.00 0.00 C ATOM 1321 C LYS A 83 21.015 -3.347 7.392 1.00 0.00 C ATOM 1322 O LYS A 83 20.235 -3.620 8.329 1.00 0.00 O ATOM 1323 CB LYS A 83 21.372 -0.857 7.340 1.00 0.00 C ATOM 1324 CG LYS A 83 21.085 0.483 6.638 1.00 0.00 C ATOM 1325 CD LYS A 83 21.881 1.669 7.210 1.00 0.00 C ATOM 1326 CE LYS A 83 21.734 1.902 8.725 1.00 0.00 C ATOM 1327 NZ LYS A 83 20.335 2.166 9.148 1.00 0.00 N ATOM 1328 OXT LYS A 83 21.963 -4.089 7.066 1.00 0.00 O ATOM 0 H LYS A 83 18.812 -2.122 7.266 1.00 0.00 H new ATOM 0 HA LYS A 83 21.277 -2.118 5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.966 -0.824 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.450 -0.987 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.314 0.382 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.020 0.702 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.937 1.517 6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.572 2.575 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 83 22.108 1.028 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.360 2.745 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.337 2.727 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.840 2.693 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.847 1.263 9.316 1.00 0.00 H new TER 1342 LYS A 83