USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 655 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 43 ASN : amide:sc= 0.114 K(o=0.74,f=-1.1) USER MOD Set 1.2: A 58 TYR OH : rot 19:sc= 0.621 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.583 K(o=-0.53,f=-1.3!) USER MOD Set 2.2: A 21 GLN : amide:sc= 0.057 X(o=-0.53,f=-0.66) USER MOD Single : A 3 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.32) USER MOD Single : A 5 LYS NZ :NH3+ -122:sc= -0.0787 (180deg=-0.423) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.19) USER MOD Single : A 12 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-0.74) USER MOD Single : A 13 GLN : amide:sc= -0.598 K(o=-0.6,f=0) USER MOD Single : A 28 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 29 THR OG1 : rot -44:sc= 0.564 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -138:sc= 0 (180deg=-1.75!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.07) USER MOD Single : A 52 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 0.523 (180deg=-0.228!) USER MOD Single : A 56 ASN : amide:sc= 1.08 K(o=1.1,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= 1.16 K(o=1.2,f=-2!) USER MOD Single : A 59 GLN : amide:sc= -1.75! C(o=-1.7!,f=-2.2!) USER MOD Single : A 60 SER OG : rot 63:sc= 1.24 USER MOD Single : A 65 ASN : amide:sc= -0.604 K(o=-0.6,f=-2.3!) USER MOD Single : A 68 SER OG : rot -96:sc= 1.22 USER MOD Single : A 72 GLN : amide:sc= -0.581 K(o=-0.58,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -112:sc= -1.98 (180deg=-4.26!) USER MOD Single : A 78 MET CE :methyl 170:sc= 0 (180deg=-0.196) USER MOD Single : A 82 ASN : amide:sc= 1.08 K(o=1.1,f=-0.11) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 3 -3.490 11.493 10.113 1.00 62.42 N ATOM 33 CA GLN A 3 -2.657 11.504 8.915 1.00 43.14 C ATOM 34 C GLN A 3 -3.056 10.412 7.935 1.00 42.15 C ATOM 35 O GLN A 3 -3.282 10.668 6.754 1.00 62.23 O ATOM 36 CB GLN A 3 -1.207 11.286 9.325 1.00 35.33 C ATOM 37 CG GLN A 3 -0.479 12.549 9.717 1.00 15.23 C ATOM 38 CD GLN A 3 -0.390 13.506 8.560 1.00 4.01 C ATOM 39 OE1 GLN A 3 -1.162 14.460 8.451 1.00 70.02 O ATOM 40 NE2 GLN A 3 0.487 13.186 7.636 1.00 11.33 N ATOM 0 HA GLN A 3 -2.789 12.467 8.421 1.00 43.14 H new ATOM 0 HB2 GLN A 3 -1.179 10.589 10.162 1.00 35.33 H new ATOM 0 HB3 GLN A 3 -0.674 10.814 8.499 1.00 35.33 H new ATOM 0 HG2 GLN A 3 -0.996 13.027 10.549 1.00 15.23 H new ATOM 0 HG3 GLN A 3 0.524 12.301 10.065 1.00 15.23 H new ATOM 0 HE21 GLN A 3 1.104 12.386 7.774 1.00 11.33 H new ATOM 0 HE22 GLN A 3 0.551 13.738 6.780 1.00 11.33 H new ATOM 49 N LEU A 4 -3.164 9.203 8.453 1.00 71.33 N ATOM 50 CA LEU A 4 -3.605 8.052 7.666 1.00 22.10 C ATOM 51 C LEU A 4 -5.002 8.265 7.094 1.00 3.41 C ATOM 52 O LEU A 4 -5.280 7.871 5.963 1.00 4.44 O ATOM 53 CB LEU A 4 -3.584 6.779 8.515 1.00 52.34 C ATOM 54 CG LEU A 4 -2.193 6.301 8.934 1.00 23.21 C ATOM 55 CD1 LEU A 4 -2.302 5.084 9.840 1.00 75.03 C ATOM 56 CD2 LEU A 4 -1.348 5.980 7.709 1.00 42.13 C ATOM 0 H LEU A 4 -2.951 8.985 9.426 1.00 71.33 H new ATOM 0 HA LEU A 4 -2.909 7.942 6.835 1.00 22.10 H new ATOM 0 HB2 LEU A 4 -4.178 6.950 9.413 1.00 52.34 H new ATOM 0 HB3 LEU A 4 -4.073 5.980 7.957 1.00 52.34 H new ATOM 0 HG LEU A 4 -1.704 7.102 9.488 1.00 23.21 H new ATOM 0 HD11 LEU A 4 -1.304 4.756 10.130 1.00 75.03 H new ATOM 0 HD12 LEU A 4 -2.872 5.344 10.732 1.00 75.03 H new ATOM 0 HD13 LEU A 4 -2.809 4.279 9.308 1.00 75.03 H new ATOM 0 HD21 LEU A 4 -0.362 5.641 8.026 1.00 42.13 H new ATOM 0 HD22 LEU A 4 -1.832 5.194 7.129 1.00 42.13 H new ATOM 0 HD23 LEU A 4 -1.244 6.874 7.094 1.00 42.13 H new ATOM 68 N LYS A 5 -5.869 8.908 7.867 1.00 42.44 N ATOM 69 CA LYS A 5 -7.238 9.149 7.441 1.00 55.10 C ATOM 70 C LYS A 5 -7.260 10.115 6.261 1.00 61.24 C ATOM 71 O LYS A 5 -7.965 9.891 5.278 1.00 4.52 O ATOM 72 CB LYS A 5 -8.054 9.706 8.608 1.00 30.34 C ATOM 73 CG LYS A 5 -9.428 10.213 8.213 1.00 33.24 C ATOM 74 CD LYS A 5 -10.161 10.797 9.404 1.00 65.33 C ATOM 75 CE LYS A 5 -11.439 11.492 8.979 1.00 62.32 C ATOM 76 NZ LYS A 5 -11.172 12.698 8.149 1.00 44.41 N ATOM 0 H LYS A 5 -5.646 9.272 8.793 1.00 42.44 H new ATOM 0 HA LYS A 5 -7.684 8.207 7.121 1.00 55.10 H new ATOM 0 HB2 LYS A 5 -8.168 8.928 9.362 1.00 30.34 H new ATOM 0 HB3 LYS A 5 -7.497 10.520 9.072 1.00 30.34 H new ATOM 0 HG2 LYS A 5 -9.329 10.971 7.436 1.00 33.24 H new ATOM 0 HG3 LYS A 5 -10.012 9.396 7.789 1.00 33.24 H new ATOM 0 HD2 LYS A 5 -10.395 10.004 10.114 1.00 65.33 H new ATOM 0 HD3 LYS A 5 -9.514 11.506 9.920 1.00 65.33 H new ATOM 0 HE2 LYS A 5 -12.060 10.795 8.416 1.00 62.32 H new ATOM 0 HE3 LYS A 5 -12.006 11.780 9.864 1.00 62.32 H new ATOM 0 HZ1 LYS A 5 -11.595 13.533 8.603 1.00 44.41 H new ATOM 0 HZ2 LYS A 5 -10.145 12.836 8.058 1.00 44.41 H new ATOM 0 HZ3 LYS A 5 -11.589 12.569 7.205 1.00 44.41 H new ATOM 90 N THR A 6 -6.466 11.175 6.364 1.00 61.42 N ATOM 91 CA THR A 6 -6.319 12.145 5.288 1.00 34.53 C ATOM 92 C THR A 6 -5.856 11.458 4.002 1.00 42.10 C ATOM 93 O THR A 6 -6.365 11.731 2.913 1.00 71.32 O ATOM 94 CB THR A 6 -5.317 13.243 5.694 1.00 32.12 C ATOM 95 OG1 THR A 6 -5.784 13.903 6.881 1.00 64.54 O ATOM 96 CG2 THR A 6 -5.127 14.260 4.580 1.00 52.13 C ATOM 0 H THR A 6 -5.909 11.385 7.192 1.00 61.42 H new ATOM 0 HA THR A 6 -7.290 12.604 5.104 1.00 34.53 H new ATOM 0 HB THR A 6 -4.353 12.772 5.886 1.00 32.12 H new ATOM 0 HG1 THR A 6 -5.146 14.600 7.140 1.00 64.54 H new ATOM 0 HG21 THR A 6 -4.414 15.020 4.899 1.00 52.13 H new ATOM 0 HG22 THR A 6 -4.748 13.758 3.690 1.00 52.13 H new ATOM 0 HG23 THR A 6 -6.083 14.732 4.351 1.00 52.13 H new ATOM 104 N ILE A 7 -4.910 10.540 4.152 1.00 21.33 N ATOM 105 CA ILE A 7 -4.395 9.765 3.033 1.00 14.34 C ATOM 106 C ILE A 7 -5.498 8.904 2.421 1.00 51.52 C ATOM 107 O ILE A 7 -5.645 8.844 1.200 1.00 40.23 O ATOM 108 CB ILE A 7 -3.218 8.877 3.486 1.00 42.42 C ATOM 109 CG1 ILE A 7 -2.093 9.763 4.027 1.00 2.24 C ATOM 110 CG2 ILE A 7 -2.720 8.009 2.333 1.00 34.11 C ATOM 111 CD1 ILE A 7 -1.088 9.022 4.875 1.00 45.54 C ATOM 0 H ILE A 7 -4.480 10.313 5.049 1.00 21.33 H new ATOM 0 HA ILE A 7 -4.036 10.461 2.274 1.00 14.34 H new ATOM 0 HB ILE A 7 -3.557 8.210 4.278 1.00 42.42 H new ATOM 0 HG12 ILE A 7 -1.574 10.228 3.189 1.00 2.24 H new ATOM 0 HG13 ILE A 7 -2.530 10.568 4.618 1.00 2.24 H new ATOM 0 HG21 ILE A 7 -1.890 7.391 2.675 1.00 34.11 H new ATOM 0 HG22 ILE A 7 -3.530 7.368 1.984 1.00 34.11 H new ATOM 0 HG23 ILE A 7 -2.384 8.647 1.516 1.00 34.11 H new ATOM 0 HD11 ILE A 7 -0.322 9.716 5.222 1.00 45.54 H new ATOM 0 HD12 ILE A 7 -1.593 8.580 5.734 1.00 45.54 H new ATOM 0 HD13 ILE A 7 -0.622 8.234 4.283 1.00 45.54 H new ATOM 123 N LYS A 8 -6.287 8.262 3.276 1.00 45.13 N ATOM 124 CA LYS A 8 -7.396 7.431 2.817 1.00 51.32 C ATOM 125 C LYS A 8 -8.403 8.267 2.034 1.00 55.22 C ATOM 126 O LYS A 8 -8.889 7.841 0.985 1.00 61.34 O ATOM 127 CB LYS A 8 -8.078 6.738 4.000 1.00 20.43 C ATOM 128 CG LYS A 8 -7.154 5.792 4.747 1.00 72.45 C ATOM 129 CD LYS A 8 -7.808 5.214 5.990 1.00 33.53 C ATOM 130 CE LYS A 8 -6.818 4.378 6.786 1.00 72.34 C ATOM 131 NZ LYS A 8 -7.409 3.839 8.039 1.00 41.03 N ATOM 0 H LYS A 8 -6.180 8.301 4.290 1.00 45.13 H new ATOM 0 HA LYS A 8 -6.996 6.663 2.155 1.00 51.32 H new ATOM 0 HB2 LYS A 8 -8.451 7.494 4.691 1.00 20.43 H new ATOM 0 HB3 LYS A 8 -8.943 6.182 3.639 1.00 20.43 H new ATOM 0 HG2 LYS A 8 -6.856 4.980 4.084 1.00 72.45 H new ATOM 0 HG3 LYS A 8 -6.245 6.323 5.030 1.00 72.45 H new ATOM 0 HD2 LYS A 8 -8.191 6.022 6.613 1.00 33.53 H new ATOM 0 HD3 LYS A 8 -8.662 4.599 5.704 1.00 33.53 H new ATOM 0 HE2 LYS A 8 -6.466 3.551 6.169 1.00 72.34 H new ATOM 0 HE3 LYS A 8 -5.947 4.986 7.031 1.00 72.34 H new ATOM 0 HZ1 LYS A 8 -6.651 3.484 8.656 1.00 41.03 H new ATOM 0 HZ2 LYS A 8 -7.930 4.594 8.530 1.00 41.03 H new ATOM 0 HZ3 LYS A 8 -8.061 3.062 7.809 1.00 41.03 H new ATOM 145 N GLU A 9 -8.694 9.465 2.531 1.00 54.23 N ATOM 146 CA GLU A 9 -9.587 10.386 1.838 1.00 45.11 C ATOM 147 C GLU A 9 -9.036 10.725 0.457 1.00 45.42 C ATOM 148 O GLU A 9 -9.778 10.771 -0.524 1.00 32.21 O ATOM 149 CB GLU A 9 -9.774 11.669 2.645 1.00 23.23 C ATOM 150 CG GLU A 9 -10.411 11.454 4.003 1.00 13.12 C ATOM 151 CD GLU A 9 -10.639 12.750 4.743 1.00 0.12 C ATOM 152 OE1 GLU A 9 -9.711 13.222 5.428 1.00 23.22 O ATOM 153 OE2 GLU A 9 -11.752 13.310 4.642 1.00 12.20 O ATOM 0 H GLU A 9 -8.324 9.821 3.412 1.00 54.23 H new ATOM 0 HA GLU A 9 -10.554 9.896 1.726 1.00 45.11 H new ATOM 0 HB2 GLU A 9 -8.803 12.145 2.782 1.00 23.23 H new ATOM 0 HB3 GLU A 9 -10.390 12.361 2.071 1.00 23.23 H new ATOM 0 HG2 GLU A 9 -11.363 10.938 3.877 1.00 13.12 H new ATOM 0 HG3 GLU A 9 -9.773 10.804 4.602 1.00 13.12 H new ATOM 160 N LEU A 10 -7.733 10.957 0.391 1.00 60.40 N ATOM 161 CA LEU A 10 -7.070 11.280 -0.866 1.00 73.03 C ATOM 162 C LEU A 10 -7.186 10.124 -1.854 1.00 71.04 C ATOM 163 O LEU A 10 -7.447 10.334 -3.039 1.00 53.32 O ATOM 164 CB LEU A 10 -5.599 11.618 -0.614 1.00 44.35 C ATOM 165 CG LEU A 10 -5.362 12.880 0.218 1.00 22.22 C ATOM 166 CD1 LEU A 10 -3.899 13.001 0.608 1.00 52.11 C ATOM 167 CD2 LEU A 10 -5.809 14.113 -0.553 1.00 41.41 C ATOM 0 H LEU A 10 -7.110 10.927 1.198 1.00 60.40 H new ATOM 0 HA LEU A 10 -7.563 12.149 -1.301 1.00 73.03 H new ATOM 0 HB2 LEU A 10 -5.129 10.774 -0.110 1.00 44.35 H new ATOM 0 HB3 LEU A 10 -5.098 11.734 -1.575 1.00 44.35 H new ATOM 0 HG LEU A 10 -5.953 12.805 1.131 1.00 22.22 H new ATOM 0 HD11 LEU A 10 -3.754 13.905 1.199 1.00 52.11 H new ATOM 0 HD12 LEU A 10 -3.606 12.132 1.197 1.00 52.11 H new ATOM 0 HD13 LEU A 10 -3.286 13.053 -0.292 1.00 52.11 H new ATOM 0 HD21 LEU A 10 -5.634 15.003 0.051 1.00 41.41 H new ATOM 0 HD22 LEU A 10 -5.242 14.187 -1.481 1.00 41.41 H new ATOM 0 HD23 LEU A 10 -6.872 14.033 -0.783 1.00 41.41 H new ATOM 179 N ILE A 11 -7.007 8.907 -1.355 1.00 14.32 N ATOM 180 CA ILE A 11 -7.121 7.711 -2.179 1.00 75.33 C ATOM 181 C ILE A 11 -8.562 7.516 -2.654 1.00 12.32 C ATOM 182 O ILE A 11 -8.797 7.126 -3.798 1.00 73.01 O ATOM 183 CB ILE A 11 -6.645 6.455 -1.414 1.00 53.53 C ATOM 184 CG1 ILE A 11 -5.185 6.628 -0.984 1.00 3.13 C ATOM 185 CG2 ILE A 11 -6.803 5.208 -2.276 1.00 63.23 C ATOM 186 CD1 ILE A 11 -4.676 5.515 -0.096 1.00 43.33 C ATOM 0 H ILE A 11 -6.781 8.722 -0.378 1.00 14.32 H new ATOM 0 HA ILE A 11 -6.477 7.849 -3.048 1.00 75.33 H new ATOM 0 HB ILE A 11 -7.263 6.333 -0.524 1.00 53.53 H new ATOM 0 HG12 ILE A 11 -4.558 6.686 -1.874 1.00 3.13 H new ATOM 0 HG13 ILE A 11 -5.081 7.577 -0.458 1.00 3.13 H new ATOM 0 HG21 ILE A 11 -6.462 4.335 -1.719 1.00 63.23 H new ATOM 0 HG22 ILE A 11 -7.852 5.081 -2.543 1.00 63.23 H new ATOM 0 HG23 ILE A 11 -6.208 5.315 -3.183 1.00 63.23 H new ATOM 0 HD11 ILE A 11 -3.636 5.707 0.167 1.00 43.33 H new ATOM 0 HD12 ILE A 11 -5.278 5.470 0.812 1.00 43.33 H new ATOM 0 HD13 ILE A 11 -4.747 4.565 -0.626 1.00 43.33 H new ATOM 198 N ASN A 12 -9.519 7.801 -1.775 1.00 72.44 N ATOM 199 CA ASN A 12 -10.936 7.706 -2.126 1.00 22.33 C ATOM 200 C ASN A 12 -11.279 8.702 -3.229 1.00 12.53 C ATOM 201 O ASN A 12 -11.973 8.364 -4.184 1.00 51.03 O ATOM 202 CB ASN A 12 -11.832 7.963 -0.906 1.00 43.11 C ATOM 203 CG ASN A 12 -11.715 6.892 0.166 1.00 51.31 C ATOM 204 OD1 ASN A 12 -11.433 5.725 -0.119 1.00 73.12 O ATOM 205 ND2 ASN A 12 -11.946 7.279 1.412 1.00 43.34 N ATOM 0 H ASN A 12 -9.341 8.099 -0.816 1.00 72.44 H new ATOM 0 HA ASN A 12 -11.119 6.692 -2.482 1.00 22.33 H new ATOM 0 HB2 ASN A 12 -11.575 8.930 -0.473 1.00 43.11 H new ATOM 0 HB3 ASN A 12 -12.870 8.027 -1.234 1.00 43.11 H new ATOM 0 HD21 ASN A 12 -11.893 6.603 2.174 1.00 43.34 H new ATOM 0 HD22 ASN A 12 -12.176 8.253 1.609 1.00 43.34 H new ATOM 212 N GLN A 13 -10.775 9.925 -3.093 1.00 64.12 N ATOM 213 CA GLN A 13 -10.990 10.961 -4.097 1.00 51.11 C ATOM 214 C GLN A 13 -10.316 10.584 -5.411 1.00 64.25 C ATOM 215 O GLN A 13 -10.975 10.447 -6.442 1.00 13.12 O ATOM 216 CB GLN A 13 -10.440 12.302 -3.602 1.00 14.42 C ATOM 217 CG GLN A 13 -11.203 12.877 -2.423 1.00 35.14 C ATOM 218 CD GLN A 13 -10.489 14.048 -1.780 1.00 23.12 C ATOM 219 OE1 GLN A 13 -10.685 15.202 -2.158 1.00 21.21 O ATOM 220 NE2 GLN A 13 -9.648 13.753 -0.801 1.00 25.20 N ATOM 0 H GLN A 13 -10.214 10.223 -2.295 1.00 64.12 H new ATOM 0 HA GLN A 13 -12.063 11.054 -4.266 1.00 51.11 H new ATOM 0 HB2 GLN A 13 -9.395 12.174 -3.319 1.00 14.42 H new ATOM 0 HB3 GLN A 13 -10.463 13.019 -4.423 1.00 14.42 H new ATOM 0 HG2 GLN A 13 -12.190 13.197 -2.756 1.00 35.14 H new ATOM 0 HG3 GLN A 13 -11.355 12.096 -1.678 1.00 35.14 H new ATOM 0 HE21 GLN A 13 -9.515 12.782 -0.518 1.00 25.20 H new ATOM 0 HE22 GLN A 13 -9.133 14.497 -0.329 1.00 25.20 H new ATOM 229 N GLY A 14 -9.007 10.386 -5.358 1.00 72.24 N ATOM 230 CA GLY A 14 -8.254 10.092 -6.558 1.00 14.14 C ATOM 231 C GLY A 14 -6.904 10.778 -6.562 1.00 62.01 C ATOM 232 O GLY A 14 -6.090 10.556 -7.458 1.00 71.41 O ATOM 0 H GLY A 14 -8.452 10.424 -4.503 1.00 72.24 H new ATOM 0 HA2 GLY A 14 -8.114 9.014 -6.643 1.00 14.14 H new ATOM 0 HA3 GLY A 14 -8.825 10.409 -7.431 1.00 14.14 H new ATOM 236 N ASP A 15 -6.673 11.620 -5.557 1.00 11.32 N ATOM 237 CA ASP A 15 -5.395 12.310 -5.402 1.00 43.55 C ATOM 238 C ASP A 15 -4.337 11.349 -4.879 1.00 30.35 C ATOM 239 O ASP A 15 -3.942 11.410 -3.712 1.00 55.15 O ATOM 240 CB ASP A 15 -5.520 13.507 -4.451 1.00 42.51 C ATOM 241 CG ASP A 15 -6.357 14.635 -5.019 1.00 13.14 C ATOM 242 OD1 ASP A 15 -7.589 14.625 -4.819 1.00 52.14 O ATOM 243 OD2 ASP A 15 -5.785 15.546 -5.657 1.00 51.41 O ATOM 0 H ASP A 15 -7.358 11.841 -4.835 1.00 11.32 H new ATOM 0 HA ASP A 15 -5.096 12.680 -6.383 1.00 43.55 H new ATOM 0 HB2 ASP A 15 -5.962 13.173 -3.512 1.00 42.51 H new ATOM 0 HB3 ASP A 15 -4.524 13.884 -4.218 1.00 42.51 H new ATOM 248 N ILE A 16 -3.889 10.458 -5.751 1.00 13.10 N ATOM 249 CA ILE A 16 -2.949 9.416 -5.371 1.00 73.45 C ATOM 250 C ILE A 16 -1.593 10.003 -5.000 1.00 72.41 C ATOM 251 O ILE A 16 -1.005 9.627 -3.989 1.00 34.31 O ATOM 252 CB ILE A 16 -2.767 8.383 -6.501 1.00 61.41 C ATOM 253 CG1 ILE A 16 -4.114 7.747 -6.865 1.00 71.51 C ATOM 254 CG2 ILE A 16 -1.765 7.313 -6.091 1.00 42.01 C ATOM 255 CD1 ILE A 16 -4.798 7.046 -5.708 1.00 5.31 C ATOM 0 H ILE A 16 -4.164 10.437 -6.733 1.00 13.10 H new ATOM 0 HA ILE A 16 -3.369 8.914 -4.499 1.00 73.45 H new ATOM 0 HB ILE A 16 -2.378 8.897 -7.380 1.00 61.41 H new ATOM 0 HG12 ILE A 16 -4.777 8.521 -7.251 1.00 71.51 H new ATOM 0 HG13 ILE A 16 -3.959 7.030 -7.671 1.00 71.51 H new ATOM 0 HG21 ILE A 16 -1.650 6.593 -6.901 1.00 42.01 H new ATOM 0 HG22 ILE A 16 -0.802 7.778 -5.879 1.00 42.01 H new ATOM 0 HG23 ILE A 16 -2.125 6.801 -5.199 1.00 42.01 H new ATOM 0 HD11 ILE A 16 -5.744 6.623 -6.047 1.00 5.31 H new ATOM 0 HD12 ILE A 16 -4.156 6.248 -5.335 1.00 5.31 H new ATOM 0 HD13 ILE A 16 -4.987 7.763 -4.909 1.00 5.31 H new ATOM 267 N GLU A 17 -1.103 10.930 -5.812 1.00 73.41 N ATOM 268 CA GLU A 17 0.193 11.547 -5.565 1.00 0.54 C ATOM 269 C GLU A 17 0.210 12.276 -4.226 1.00 32.03 C ATOM 270 O GLU A 17 1.228 12.292 -3.534 1.00 32.41 O ATOM 271 CB GLU A 17 0.562 12.507 -6.697 1.00 32.12 C ATOM 272 CG GLU A 17 0.614 11.842 -8.063 1.00 35.30 C ATOM 273 CD GLU A 17 -0.685 11.976 -8.834 1.00 72.53 C ATOM 274 OE1 GLU A 17 -1.733 11.518 -8.333 1.00 14.15 O ATOM 275 OE2 GLU A 17 -0.661 12.554 -9.942 1.00 40.10 O ATOM 0 H GLU A 17 -1.582 11.271 -6.646 1.00 73.41 H new ATOM 0 HA GLU A 17 0.937 10.751 -5.528 1.00 0.54 H new ATOM 0 HB2 GLU A 17 -0.164 13.320 -6.725 1.00 32.12 H new ATOM 0 HB3 GLU A 17 1.533 12.954 -6.482 1.00 32.12 H new ATOM 0 HG2 GLU A 17 1.423 12.282 -8.645 1.00 35.30 H new ATOM 0 HG3 GLU A 17 0.849 10.785 -7.938 1.00 35.30 H new ATOM 282 N ASN A 18 -0.921 12.865 -3.856 1.00 70.34 N ATOM 283 CA ASN A 18 -1.044 13.529 -2.561 1.00 5.12 C ATOM 284 C ASN A 18 -1.049 12.501 -1.442 1.00 74.54 C ATOM 285 O ASN A 18 -0.442 12.707 -0.391 1.00 72.05 O ATOM 286 CB ASN A 18 -2.314 14.383 -2.493 1.00 11.34 C ATOM 287 CG ASN A 18 -2.215 15.652 -3.316 1.00 71.42 C ATOM 288 OD1 ASN A 18 -1.127 16.189 -3.529 1.00 61.53 O ATOM 289 ND2 ASN A 18 -3.350 16.150 -3.777 1.00 3.12 N ATOM 0 H ASN A 18 -1.763 12.897 -4.430 1.00 70.34 H new ATOM 0 HA ASN A 18 -0.184 14.188 -2.439 1.00 5.12 H new ATOM 0 HB2 ASN A 18 -3.161 13.794 -2.843 1.00 11.34 H new ATOM 0 HB3 ASN A 18 -2.515 14.644 -1.454 1.00 11.34 H new ATOM 0 HD21 ASN A 18 -3.344 17.007 -4.330 1.00 3.12 H new ATOM 0 HD22 ASN A 18 -4.232 15.677 -3.580 1.00 3.12 H new ATOM 296 N ALA A 19 -1.726 11.385 -1.681 1.00 74.12 N ATOM 297 CA ALA A 19 -1.775 10.297 -0.718 1.00 74.51 C ATOM 298 C ALA A 19 -0.385 9.710 -0.493 1.00 25.34 C ATOM 299 O ALA A 19 0.048 9.539 0.644 1.00 42.41 O ATOM 300 CB ALA A 19 -2.739 9.221 -1.191 1.00 43.45 C ATOM 0 H ALA A 19 -2.250 11.211 -2.538 1.00 74.12 H new ATOM 0 HA ALA A 19 -2.132 10.693 0.232 1.00 74.51 H new ATOM 0 HB1 ALA A 19 -2.767 8.412 -0.462 1.00 43.45 H new ATOM 0 HB2 ALA A 19 -3.736 9.648 -1.298 1.00 43.45 H new ATOM 0 HB3 ALA A 19 -2.406 8.831 -2.153 1.00 43.45 H new ATOM 306 N LEU A 20 0.312 9.426 -1.588 1.00 34.12 N ATOM 307 CA LEU A 20 1.642 8.823 -1.527 1.00 33.30 C ATOM 308 C LEU A 20 2.627 9.705 -0.767 1.00 21.31 C ATOM 309 O LEU A 20 3.331 9.226 0.120 1.00 60.45 O ATOM 310 CB LEU A 20 2.171 8.548 -2.936 1.00 52.12 C ATOM 311 CG LEU A 20 1.380 7.515 -3.743 1.00 40.21 C ATOM 312 CD1 LEU A 20 1.982 7.353 -5.130 1.00 14.34 C ATOM 313 CD2 LEU A 20 1.346 6.176 -3.017 1.00 75.33 C ATOM 0 H LEU A 20 -0.023 9.604 -2.535 1.00 34.12 H new ATOM 0 HA LEU A 20 1.547 7.881 -0.988 1.00 33.30 H new ATOM 0 HB2 LEU A 20 2.183 9.486 -3.491 1.00 52.12 H new ATOM 0 HB3 LEU A 20 3.204 8.210 -2.859 1.00 52.12 H new ATOM 0 HG LEU A 20 0.356 7.872 -3.848 1.00 40.21 H new ATOM 0 HD11 LEU A 20 1.409 6.615 -5.692 1.00 14.34 H new ATOM 0 HD12 LEU A 20 1.954 8.309 -5.653 1.00 14.34 H new ATOM 0 HD13 LEU A 20 3.016 7.018 -5.041 1.00 14.34 H new ATOM 0 HD21 LEU A 20 0.779 5.456 -3.607 1.00 75.33 H new ATOM 0 HD22 LEU A 20 2.364 5.811 -2.879 1.00 75.33 H new ATOM 0 HD23 LEU A 20 0.871 6.302 -2.044 1.00 75.33 H new ATOM 325 N GLN A 21 2.674 10.991 -1.102 1.00 64.15 N ATOM 326 CA GLN A 21 3.606 11.902 -0.445 1.00 64.40 C ATOM 327 C GLN A 21 3.258 12.052 1.033 1.00 10.13 C ATOM 328 O GLN A 21 4.145 12.151 1.879 1.00 72.50 O ATOM 329 CB GLN A 21 3.633 13.268 -1.141 1.00 60.02 C ATOM 330 CG GLN A 21 2.302 13.998 -1.126 1.00 10.12 C ATOM 331 CD GLN A 21 2.329 15.279 -1.930 1.00 71.21 C ATOM 332 OE1 GLN A 21 2.616 16.354 -1.405 1.00 21.02 O ATOM 333 NE2 GLN A 21 2.034 15.170 -3.215 1.00 32.51 N ATOM 0 H GLN A 21 2.086 11.422 -1.815 1.00 64.15 H new ATOM 0 HA GLN A 21 4.605 11.473 -0.521 1.00 64.40 H new ATOM 0 HB2 GLN A 21 4.384 13.894 -0.660 1.00 60.02 H new ATOM 0 HB3 GLN A 21 3.948 13.131 -2.175 1.00 60.02 H new ATOM 0 HG2 GLN A 21 1.528 13.341 -1.523 1.00 10.12 H new ATOM 0 HG3 GLN A 21 2.029 14.226 -0.096 1.00 10.12 H new ATOM 0 HE21 GLN A 21 1.802 14.258 -3.609 1.00 32.51 H new ATOM 0 HE22 GLN A 21 2.039 15.997 -3.811 1.00 32.51 H new ATOM 342 N ALA A 22 1.964 12.039 1.342 1.00 10.14 N ATOM 343 CA ALA A 22 1.513 12.102 2.727 1.00 71.33 C ATOM 344 C ALA A 22 1.906 10.830 3.474 1.00 15.43 C ATOM 345 O ALA A 22 2.261 10.871 4.653 1.00 10.33 O ATOM 346 CB ALA A 22 0.011 12.320 2.793 1.00 72.33 C ATOM 0 H ALA A 22 1.213 11.986 0.654 1.00 10.14 H new ATOM 0 HA ALA A 22 2.001 12.949 3.209 1.00 71.33 H new ATOM 0 HB1 ALA A 22 -0.305 12.364 3.835 1.00 72.33 H new ATOM 0 HB2 ALA A 22 -0.243 13.257 2.297 1.00 72.33 H new ATOM 0 HB3 ALA A 22 -0.499 11.496 2.294 1.00 72.33 H new ATOM 352 N LEU A 23 1.836 9.701 2.776 1.00 61.45 N ATOM 353 CA LEU A 23 2.283 8.426 3.322 1.00 55.00 C ATOM 354 C LEU A 23 3.770 8.475 3.633 1.00 74.10 C ATOM 355 O LEU A 23 4.199 8.075 4.711 1.00 71.20 O ATOM 356 CB LEU A 23 1.988 7.291 2.339 1.00 33.50 C ATOM 357 CG LEU A 23 0.520 6.889 2.231 1.00 71.43 C ATOM 358 CD1 LEU A 23 0.286 6.053 0.986 1.00 2.43 C ATOM 359 CD2 LEU A 23 0.094 6.119 3.468 1.00 62.32 C ATOM 0 H LEU A 23 1.471 9.644 1.825 1.00 61.45 H new ATOM 0 HA LEU A 23 1.738 8.238 4.247 1.00 55.00 H new ATOM 0 HB2 LEU A 23 2.341 7.587 1.351 1.00 33.50 H new ATOM 0 HB3 LEU A 23 2.567 6.416 2.635 1.00 33.50 H new ATOM 0 HG LEU A 23 -0.081 7.795 2.156 1.00 71.43 H new ATOM 0 HD11 LEU A 23 -0.767 5.776 0.926 1.00 2.43 H new ATOM 0 HD12 LEU A 23 0.560 6.631 0.103 1.00 2.43 H new ATOM 0 HD13 LEU A 23 0.896 5.151 1.033 1.00 2.43 H new ATOM 0 HD21 LEU A 23 -0.955 5.838 3.378 1.00 62.32 H new ATOM 0 HD22 LEU A 23 0.703 5.220 3.565 1.00 62.32 H new ATOM 0 HD23 LEU A 23 0.228 6.745 4.350 1.00 62.32 H new ATOM 371 N GLU A 24 4.550 8.983 2.685 1.00 51.34 N ATOM 372 CA GLU A 24 5.989 9.119 2.867 1.00 74.14 C ATOM 373 C GLU A 24 6.303 10.015 4.061 1.00 20.02 C ATOM 374 O GLU A 24 7.256 9.768 4.800 1.00 3.15 O ATOM 375 CB GLU A 24 6.635 9.673 1.599 1.00 64.45 C ATOM 376 CG GLU A 24 6.520 8.738 0.404 1.00 30.15 C ATOM 377 CD GLU A 24 7.171 9.296 -0.843 1.00 41.24 C ATOM 378 OE1 GLU A 24 8.402 9.504 -0.831 1.00 55.31 O ATOM 379 OE2 GLU A 24 6.460 9.535 -1.839 1.00 23.24 O ATOM 0 H GLU A 24 4.208 9.308 1.781 1.00 51.34 H new ATOM 0 HA GLU A 24 6.403 8.131 3.066 1.00 74.14 H new ATOM 0 HB2 GLU A 24 6.170 10.627 1.350 1.00 64.45 H new ATOM 0 HB3 GLU A 24 7.689 9.873 1.794 1.00 64.45 H new ATOM 0 HG2 GLU A 24 6.980 7.781 0.651 1.00 30.15 H new ATOM 0 HG3 GLU A 24 5.467 8.542 0.202 1.00 30.15 H new ATOM 386 N GLU A 25 5.494 11.055 4.249 1.00 75.35 N ATOM 387 CA GLU A 25 5.599 11.895 5.435 1.00 62.14 C ATOM 388 C GLU A 25 5.359 11.062 6.689 1.00 62.42 C ATOM 389 O GLU A 25 6.171 11.058 7.613 1.00 71.04 O ATOM 390 CB GLU A 25 4.582 13.039 5.386 1.00 44.43 C ATOM 391 CG GLU A 25 4.844 14.065 4.297 1.00 11.21 C ATOM 392 CD GLU A 25 3.819 15.180 4.307 1.00 1.31 C ATOM 393 OE1 GLU A 25 3.666 15.838 5.357 1.00 14.32 O ATOM 394 OE2 GLU A 25 3.166 15.412 3.265 1.00 54.45 O ATOM 0 H GLU A 25 4.761 11.334 3.596 1.00 75.35 H new ATOM 0 HA GLU A 25 6.603 12.318 5.461 1.00 62.14 H new ATOM 0 HB2 GLU A 25 3.587 12.618 5.240 1.00 44.43 H new ATOM 0 HB3 GLU A 25 4.576 13.545 6.351 1.00 44.43 H new ATOM 0 HG2 GLU A 25 5.840 14.487 4.429 1.00 11.21 H new ATOM 0 HG3 GLU A 25 4.834 13.572 3.325 1.00 11.21 H new ATOM 401 N PHE A 26 4.247 10.332 6.691 1.00 13.51 N ATOM 402 CA PHE A 26 3.839 9.540 7.845 1.00 22.42 C ATOM 403 C PHE A 26 4.870 8.463 8.181 1.00 31.42 C ATOM 404 O PHE A 26 5.048 8.113 9.349 1.00 40.32 O ATOM 405 CB PHE A 26 2.473 8.893 7.596 1.00 33.34 C ATOM 406 CG PHE A 26 1.935 8.155 8.793 1.00 34.22 C ATOM 407 CD1 PHE A 26 1.275 8.839 9.800 1.00 75.04 C ATOM 408 CD2 PHE A 26 2.095 6.783 8.914 1.00 33.54 C ATOM 409 CE1 PHE A 26 0.786 8.171 10.906 1.00 13.32 C ATOM 410 CE2 PHE A 26 1.610 6.112 10.019 1.00 24.24 C ATOM 411 CZ PHE A 26 0.954 6.806 11.016 1.00 14.41 C ATOM 0 H PHE A 26 3.608 10.273 5.898 1.00 13.51 H new ATOM 0 HA PHE A 26 3.766 10.217 8.696 1.00 22.42 H new ATOM 0 HB2 PHE A 26 1.761 9.665 7.304 1.00 33.34 H new ATOM 0 HB3 PHE A 26 2.554 8.201 6.758 1.00 33.34 H new ATOM 0 HD1 PHE A 26 1.141 9.908 9.720 1.00 75.04 H new ATOM 0 HD2 PHE A 26 2.604 6.234 8.136 1.00 33.54 H new ATOM 0 HE1 PHE A 26 0.273 8.717 11.684 1.00 13.32 H new ATOM 0 HE2 PHE A 26 1.744 5.044 10.103 1.00 24.24 H new ATOM 0 HZ PHE A 26 0.573 6.282 11.880 1.00 14.41 H new ATOM 421 N LEU A 27 5.553 7.947 7.166 1.00 71.12 N ATOM 422 CA LEU A 27 6.553 6.902 7.376 1.00 73.10 C ATOM 423 C LEU A 27 7.685 7.396 8.266 1.00 53.42 C ATOM 424 O LEU A 27 8.360 6.613 8.932 1.00 70.23 O ATOM 425 CB LEU A 27 7.132 6.413 6.041 1.00 1.14 C ATOM 426 CG LEU A 27 6.125 5.817 5.057 1.00 35.52 C ATOM 427 CD1 LEU A 27 6.821 5.422 3.765 1.00 73.03 C ATOM 428 CD2 LEU A 27 5.418 4.618 5.671 1.00 11.34 C ATOM 0 H LEU A 27 5.435 8.232 6.194 1.00 71.12 H new ATOM 0 HA LEU A 27 6.050 6.071 7.870 1.00 73.10 H new ATOM 0 HB2 LEU A 27 7.634 7.250 5.556 1.00 1.14 H new ATOM 0 HB3 LEU A 27 7.894 5.663 6.250 1.00 1.14 H new ATOM 0 HG LEU A 27 5.375 6.575 4.830 1.00 35.52 H new ATOM 0 HD11 LEU A 27 6.092 4.999 3.074 1.00 73.03 H new ATOM 0 HD12 LEU A 27 7.280 6.302 3.315 1.00 73.03 H new ATOM 0 HD13 LEU A 27 7.591 4.681 3.978 1.00 73.03 H new ATOM 0 HD21 LEU A 27 4.706 4.209 4.954 1.00 11.34 H new ATOM 0 HD22 LEU A 27 6.153 3.855 5.928 1.00 11.34 H new ATOM 0 HD23 LEU A 27 4.888 4.930 6.571 1.00 11.34 H new ATOM 440 N GLN A 28 7.881 8.701 8.270 1.00 63.44 N ATOM 441 CA GLN A 28 8.932 9.326 9.053 1.00 63.12 C ATOM 442 C GLN A 28 8.421 9.721 10.435 1.00 73.35 C ATOM 443 O GLN A 28 9.193 10.132 11.300 1.00 72.53 O ATOM 444 CB GLN A 28 9.461 10.548 8.304 1.00 30.40 C ATOM 445 CG GLN A 28 10.122 10.190 6.981 1.00 71.43 C ATOM 446 CD GLN A 28 10.325 11.385 6.075 1.00 74.23 C ATOM 447 OE1 GLN A 28 11.342 12.072 6.151 1.00 14.51 O ATOM 448 NE2 GLN A 28 9.367 11.626 5.193 1.00 45.54 N ATOM 0 H GLN A 28 7.317 9.358 7.731 1.00 63.44 H new ATOM 0 HA GLN A 28 9.743 8.611 9.194 1.00 63.12 H new ATOM 0 HB2 GLN A 28 8.638 11.239 8.118 1.00 30.40 H new ATOM 0 HB3 GLN A 28 10.180 11.071 8.934 1.00 30.40 H new ATOM 0 HG2 GLN A 28 11.087 9.724 7.179 1.00 71.43 H new ATOM 0 HG3 GLN A 28 9.510 9.450 6.465 1.00 71.43 H new ATOM 0 HE21 GLN A 28 8.539 11.031 5.164 1.00 45.54 H new ATOM 0 HE22 GLN A 28 9.457 12.407 4.543 1.00 45.54 H new ATOM 457 N THR A 29 7.113 9.606 10.634 1.00 33.01 N ATOM 458 CA THR A 29 6.494 10.058 11.872 1.00 23.52 C ATOM 459 C THR A 29 6.287 8.901 12.858 1.00 54.34 C ATOM 460 O THR A 29 6.957 8.831 13.890 1.00 24.13 O ATOM 461 CB THR A 29 5.149 10.776 11.598 1.00 73.13 C ATOM 462 OG1 THR A 29 4.166 9.862 11.092 1.00 53.04 O ATOM 463 CG2 THR A 29 5.346 11.886 10.585 1.00 25.12 C ATOM 0 H THR A 29 6.464 9.205 9.957 1.00 33.01 H new ATOM 0 HA THR A 29 7.180 10.771 12.328 1.00 23.52 H new ATOM 0 HB THR A 29 4.798 11.189 12.544 1.00 73.13 H new ATOM 0 HG1 THR A 29 4.575 9.283 10.416 1.00 53.04 H new ATOM 0 HG21 THR A 29 4.394 12.383 10.400 1.00 25.12 H new ATOM 0 HG22 THR A 29 6.064 12.609 10.972 1.00 25.12 H new ATOM 0 HG23 THR A 29 5.722 11.465 9.653 1.00 25.12 H new ATOM 471 N GLU A 30 5.382 7.988 12.524 1.00 23.41 N ATOM 472 CA GLU A 30 5.024 6.888 13.405 1.00 22.10 C ATOM 473 C GLU A 30 5.278 5.545 12.732 1.00 51.34 C ATOM 474 O GLU A 30 4.473 5.082 11.921 1.00 75.43 O ATOM 475 CB GLU A 30 3.550 6.989 13.812 1.00 3.34 C ATOM 476 CG GLU A 30 3.247 8.128 14.773 1.00 32.21 C ATOM 477 CD GLU A 30 3.861 7.911 16.140 1.00 74.31 C ATOM 478 OE1 GLU A 30 3.292 7.137 16.936 1.00 74.13 O ATOM 479 OE2 GLU A 30 4.914 8.512 16.431 1.00 34.01 O ATOM 0 H GLU A 30 4.878 7.991 11.637 1.00 23.41 H new ATOM 0 HA GLU A 30 5.649 6.955 14.295 1.00 22.10 H new ATOM 0 HB2 GLU A 30 2.944 7.115 12.914 1.00 3.34 H new ATOM 0 HB3 GLU A 30 3.246 6.049 14.273 1.00 3.34 H new ATOM 0 HG2 GLU A 30 3.621 9.062 14.354 1.00 32.21 H new ATOM 0 HG3 GLU A 30 2.167 8.235 14.876 1.00 32.21 H new ATOM 486 N PRO A 31 6.414 4.911 13.053 1.00 62.23 N ATOM 487 CA PRO A 31 6.764 3.580 12.545 1.00 12.13 C ATOM 488 C PRO A 31 5.713 2.526 12.895 1.00 70.13 C ATOM 489 O PRO A 31 5.568 1.522 12.195 1.00 64.41 O ATOM 490 CB PRO A 31 8.095 3.259 13.242 1.00 41.43 C ATOM 491 CG PRO A 31 8.182 4.222 14.378 1.00 14.34 C ATOM 492 CD PRO A 31 7.468 5.456 13.915 1.00 61.24 C ATOM 0 HA PRO A 31 6.827 3.570 11.457 1.00 12.13 H new ATOM 0 HB2 PRO A 31 8.116 2.228 13.597 1.00 41.43 H new ATOM 0 HB3 PRO A 31 8.936 3.378 12.559 1.00 41.43 H new ATOM 0 HG2 PRO A 31 7.717 3.813 15.275 1.00 14.34 H new ATOM 0 HG3 PRO A 31 9.220 4.440 14.628 1.00 14.34 H new ATOM 0 HD2 PRO A 31 7.056 6.023 14.750 1.00 61.24 H new ATOM 0 HD3 PRO A 31 8.131 6.127 13.370 1.00 61.24 H new ATOM 500 N VAL A 32 4.973 2.786 13.963 1.00 52.04 N ATOM 501 CA VAL A 32 3.970 1.852 14.464 1.00 40.11 C ATOM 502 C VAL A 32 2.748 1.790 13.540 1.00 60.24 C ATOM 503 O VAL A 32 1.950 0.857 13.610 1.00 45.12 O ATOM 504 CB VAL A 32 3.523 2.239 15.896 1.00 42.34 C ATOM 505 CG1 VAL A 32 2.738 3.547 15.892 1.00 73.43 C ATOM 506 CG2 VAL A 32 2.712 1.123 16.540 1.00 64.32 C ATOM 0 H VAL A 32 5.049 3.646 14.506 1.00 52.04 H new ATOM 0 HA VAL A 32 4.433 0.865 14.489 1.00 40.11 H new ATOM 0 HB VAL A 32 4.422 2.388 16.493 1.00 42.34 H new ATOM 0 HG11 VAL A 32 2.437 3.794 16.910 1.00 73.43 H new ATOM 0 HG12 VAL A 32 3.364 4.346 15.495 1.00 73.43 H new ATOM 0 HG13 VAL A 32 1.851 3.437 15.268 1.00 73.43 H new ATOM 0 HG21 VAL A 32 2.412 1.424 17.544 1.00 64.32 H new ATOM 0 HG22 VAL A 32 1.824 0.926 15.940 1.00 64.32 H new ATOM 0 HG23 VAL A 32 3.319 0.219 16.598 1.00 64.32 H new ATOM 516 N GLY A 33 2.609 2.778 12.668 1.00 50.20 N ATOM 517 CA GLY A 33 1.473 2.807 11.769 1.00 5.33 C ATOM 518 C GLY A 33 1.882 2.648 10.321 1.00 13.54 C ATOM 519 O GLY A 33 1.074 2.847 9.413 1.00 44.12 O ATOM 0 H GLY A 33 3.259 3.557 12.567 1.00 50.20 H new ATOM 0 HA2 GLY A 33 0.779 2.010 12.038 1.00 5.33 H new ATOM 0 HA3 GLY A 33 0.939 3.749 11.892 1.00 5.33 H new ATOM 523 N LYS A 34 3.137 2.274 10.097 1.00 32.32 N ATOM 524 CA LYS A 34 3.657 2.169 8.740 1.00 30.41 C ATOM 525 C LYS A 34 3.063 0.979 8.001 1.00 52.25 C ATOM 526 O LYS A 34 3.031 0.969 6.773 1.00 3.15 O ATOM 527 CB LYS A 34 5.181 2.072 8.733 1.00 21.43 C ATOM 528 CG LYS A 34 5.880 3.353 9.153 1.00 70.22 C ATOM 529 CD LYS A 34 7.366 3.301 8.837 1.00 31.43 C ATOM 530 CE LYS A 34 8.066 2.182 9.586 1.00 52.01 C ATOM 531 NZ LYS A 34 9.500 2.082 9.215 1.00 61.13 N ATOM 0 H LYS A 34 3.807 2.041 10.830 1.00 32.32 H new ATOM 0 HA LYS A 34 3.362 3.080 8.220 1.00 30.41 H new ATOM 0 HB2 LYS A 34 5.487 1.267 9.401 1.00 21.43 H new ATOM 0 HB3 LYS A 34 5.514 1.800 7.731 1.00 21.43 H new ATOM 0 HG2 LYS A 34 5.427 4.202 8.641 1.00 70.22 H new ATOM 0 HG3 LYS A 34 5.739 3.513 10.222 1.00 70.22 H new ATOM 0 HD2 LYS A 34 7.504 3.162 7.765 1.00 31.43 H new ATOM 0 HD3 LYS A 34 7.826 4.255 9.097 1.00 31.43 H new ATOM 0 HE2 LYS A 34 7.979 2.353 10.659 1.00 52.01 H new ATOM 0 HE3 LYS A 34 7.569 1.236 9.373 1.00 52.01 H new ATOM 0 HZ1 LYS A 34 9.943 1.306 9.748 1.00 61.13 H new ATOM 0 HZ2 LYS A 34 9.583 1.893 8.196 1.00 61.13 H new ATOM 0 HZ3 LYS A 34 9.980 2.976 9.442 1.00 61.13 H new ATOM 545 N ASP A 35 2.591 -0.020 8.735 1.00 75.25 N ATOM 546 CA ASP A 35 1.983 -1.190 8.104 1.00 23.14 C ATOM 547 C ASP A 35 0.697 -0.789 7.393 1.00 31.43 C ATOM 548 O ASP A 35 0.437 -1.224 6.272 1.00 11.35 O ATOM 549 CB ASP A 35 1.707 -2.304 9.123 1.00 33.24 C ATOM 550 CG ASP A 35 0.656 -1.928 10.150 1.00 32.34 C ATOM 551 OD1 ASP A 35 0.936 -1.055 10.996 1.00 2.24 O ATOM 552 OD2 ASP A 35 -0.451 -2.506 10.112 1.00 40.20 O ATOM 0 H ASP A 35 2.615 -0.047 9.754 1.00 75.25 H new ATOM 0 HA ASP A 35 2.690 -1.583 7.373 1.00 23.14 H new ATOM 0 HB2 ASP A 35 1.384 -3.200 8.593 1.00 33.24 H new ATOM 0 HB3 ASP A 35 2.635 -2.555 9.637 1.00 33.24 H new ATOM 557 N GLU A 36 -0.090 0.064 8.034 1.00 71.51 N ATOM 558 CA GLU A 36 -1.299 0.579 7.420 1.00 44.25 C ATOM 559 C GLU A 36 -0.934 1.574 6.326 1.00 4.22 C ATOM 560 O GLU A 36 -1.598 1.652 5.297 1.00 70.10 O ATOM 561 CB GLU A 36 -2.217 1.221 8.463 1.00 22.11 C ATOM 562 CG GLU A 36 -3.563 1.650 7.896 1.00 73.15 C ATOM 563 CD GLU A 36 -4.599 1.904 8.967 1.00 35.04 C ATOM 564 OE1 GLU A 36 -5.022 0.933 9.630 1.00 42.22 O ATOM 565 OE2 GLU A 36 -5.017 3.069 9.145 1.00 5.21 O ATOM 0 H GLU A 36 0.089 0.411 8.976 1.00 71.51 H new ATOM 0 HA GLU A 36 -1.846 -0.251 6.973 1.00 44.25 H new ATOM 0 HB2 GLU A 36 -2.382 0.514 9.276 1.00 22.11 H new ATOM 0 HB3 GLU A 36 -1.717 2.090 8.892 1.00 22.11 H new ATOM 0 HG2 GLU A 36 -3.430 2.556 7.304 1.00 73.15 H new ATOM 0 HG3 GLU A 36 -3.929 0.878 7.219 1.00 73.15 H new ATOM 572 N ALA A 37 0.139 2.324 6.550 1.00 3.32 N ATOM 573 CA ALA A 37 0.638 3.261 5.554 1.00 22.10 C ATOM 574 C ALA A 37 1.024 2.536 4.265 1.00 12.21 C ATOM 575 O ALA A 37 0.608 2.929 3.177 1.00 12.42 O ATOM 576 CB ALA A 37 1.822 4.040 6.104 1.00 23.21 C ATOM 0 H ALA A 37 0.680 2.300 7.414 1.00 3.32 H new ATOM 0 HA ALA A 37 -0.161 3.964 5.319 1.00 22.10 H new ATOM 0 HB1 ALA A 37 2.183 4.736 5.347 1.00 23.21 H new ATOM 0 HB2 ALA A 37 1.512 4.595 6.989 1.00 23.21 H new ATOM 0 HB3 ALA A 37 2.621 3.348 6.371 1.00 23.21 H new ATOM 582 N TYR A 38 1.807 1.469 4.389 1.00 31.33 N ATOM 583 CA TYR A 38 2.202 0.674 3.229 1.00 2.01 C ATOM 584 C TYR A 38 0.995 -0.043 2.627 1.00 23.11 C ATOM 585 O TYR A 38 0.935 -0.278 1.420 1.00 23.42 O ATOM 586 CB TYR A 38 3.287 -0.338 3.601 1.00 21.42 C ATOM 587 CG TYR A 38 4.660 0.275 3.782 1.00 41.10 C ATOM 588 CD1 TYR A 38 5.277 0.960 2.742 1.00 23.32 C ATOM 589 CD2 TYR A 38 5.341 0.165 4.987 1.00 20.10 C ATOM 590 CE1 TYR A 38 6.530 1.518 2.898 1.00 1.32 C ATOM 591 CE2 TYR A 38 6.595 0.720 5.152 1.00 33.33 C ATOM 592 CZ TYR A 38 7.185 1.396 4.106 1.00 32.53 C ATOM 593 OH TYR A 38 8.437 1.949 4.268 1.00 24.14 O ATOM 0 H TYR A 38 2.180 1.135 5.278 1.00 31.33 H new ATOM 0 HA TYR A 38 2.610 1.355 2.482 1.00 2.01 H new ATOM 0 HB2 TYR A 38 3.000 -0.841 4.524 1.00 21.42 H new ATOM 0 HB3 TYR A 38 3.340 -1.101 2.825 1.00 21.42 H new ATOM 0 HD1 TYR A 38 4.767 1.057 1.795 1.00 23.32 H new ATOM 0 HD2 TYR A 38 4.882 -0.364 5.809 1.00 20.10 H new ATOM 0 HE1 TYR A 38 6.995 2.047 2.079 1.00 1.32 H new ATOM 0 HE2 TYR A 38 7.111 0.625 6.096 1.00 33.33 H new ATOM 0 HH TYR A 38 8.757 1.774 5.178 1.00 24.14 H new ATOM 603 N TYR A 39 0.039 -0.389 3.480 1.00 1.52 N ATOM 604 CA TYR A 39 -1.222 -0.964 3.029 1.00 50.24 C ATOM 605 C TYR A 39 -1.962 0.042 2.147 1.00 65.25 C ATOM 606 O TYR A 39 -2.476 -0.304 1.081 1.00 44.11 O ATOM 607 CB TYR A 39 -2.075 -1.353 4.242 1.00 31.01 C ATOM 608 CG TYR A 39 -3.373 -2.054 3.905 1.00 71.23 C ATOM 609 CD1 TYR A 39 -3.394 -3.415 3.626 1.00 50.52 C ATOM 610 CD2 TYR A 39 -4.577 -1.361 3.884 1.00 43.42 C ATOM 611 CE1 TYR A 39 -4.577 -4.065 3.336 1.00 65.55 C ATOM 612 CE2 TYR A 39 -5.764 -2.003 3.592 1.00 3.53 C ATOM 613 CZ TYR A 39 -5.759 -3.356 3.320 1.00 44.43 C ATOM 614 OH TYR A 39 -6.941 -4.002 3.034 1.00 41.11 O ATOM 0 H TYR A 39 0.114 -0.281 4.492 1.00 1.52 H new ATOM 0 HA TYR A 39 -1.025 -1.861 2.441 1.00 50.24 H new ATOM 0 HB2 TYR A 39 -1.486 -2.001 4.890 1.00 31.01 H new ATOM 0 HB3 TYR A 39 -2.302 -0.453 4.813 1.00 31.01 H new ATOM 0 HD1 TYR A 39 -2.470 -3.974 3.636 1.00 50.52 H new ATOM 0 HD2 TYR A 39 -4.585 -0.303 4.100 1.00 43.42 H new ATOM 0 HE1 TYR A 39 -4.576 -5.124 3.123 1.00 65.55 H new ATOM 0 HE2 TYR A 39 -6.691 -1.449 3.577 1.00 3.53 H new ATOM 0 HH TYR A 39 -7.681 -3.360 3.065 1.00 41.11 H new ATOM 624 N LEU A 40 -1.993 1.296 2.597 1.00 2.10 N ATOM 625 CA LEU A 40 -2.612 2.381 1.843 1.00 65.44 C ATOM 626 C LEU A 40 -1.828 2.665 0.568 1.00 23.02 C ATOM 627 O LEU A 40 -2.411 3.000 -0.461 1.00 31.14 O ATOM 628 CB LEU A 40 -2.704 3.649 2.694 1.00 21.45 C ATOM 629 CG LEU A 40 -3.572 3.528 3.945 1.00 62.03 C ATOM 630 CD1 LEU A 40 -3.553 4.828 4.732 1.00 43.51 C ATOM 631 CD2 LEU A 40 -4.997 3.151 3.573 1.00 51.22 C ATOM 0 H LEU A 40 -1.592 1.585 3.489 1.00 2.10 H new ATOM 0 HA LEU A 40 -3.621 2.069 1.572 1.00 65.44 H new ATOM 0 HB2 LEU A 40 -1.698 3.939 2.996 1.00 21.45 H new ATOM 0 HB3 LEU A 40 -3.096 4.456 2.075 1.00 21.45 H new ATOM 0 HG LEU A 40 -3.162 2.738 4.573 1.00 62.03 H new ATOM 0 HD11 LEU A 40 -4.176 4.725 5.620 1.00 43.51 H new ATOM 0 HD12 LEU A 40 -2.530 5.057 5.031 1.00 43.51 H new ATOM 0 HD13 LEU A 40 -3.939 5.636 4.110 1.00 43.51 H new ATOM 0 HD21 LEU A 40 -5.600 3.070 4.478 1.00 51.22 H new ATOM 0 HD22 LEU A 40 -5.419 3.918 2.924 1.00 51.22 H new ATOM 0 HD23 LEU A 40 -4.996 2.194 3.051 1.00 51.22 H new ATOM 643 N MET A 41 -0.506 2.532 0.648 1.00 70.25 N ATOM 644 CA MET A 41 0.354 2.645 -0.527 1.00 12.45 C ATOM 645 C MET A 41 -0.126 1.693 -1.609 1.00 3.31 C ATOM 646 O MET A 41 -0.362 2.095 -2.746 1.00 11.23 O ATOM 647 CB MET A 41 1.799 2.296 -0.176 1.00 33.23 C ATOM 648 CG MET A 41 2.557 3.365 0.589 1.00 33.11 C ATOM 649 SD MET A 41 3.209 4.664 -0.476 1.00 14.31 S ATOM 650 CE MET A 41 4.434 5.395 0.608 1.00 41.01 C ATOM 0 H MET A 41 -0.006 2.345 1.517 1.00 70.25 H new ATOM 0 HA MET A 41 0.309 3.674 -0.882 1.00 12.45 H new ATOM 0 HB2 MET A 41 1.801 1.380 0.414 1.00 33.23 H new ATOM 0 HB3 MET A 41 2.338 2.082 -1.099 1.00 33.23 H new ATOM 0 HG2 MET A 41 1.896 3.810 1.332 1.00 33.11 H new ATOM 0 HG3 MET A 41 3.380 2.901 1.132 1.00 33.11 H new ATOM 0 HE1 MET A 41 4.392 6.481 0.524 1.00 41.01 H new ATOM 0 HE2 MET A 41 4.229 5.102 1.638 1.00 41.01 H new ATOM 0 HE3 MET A 41 5.427 5.047 0.322 1.00 41.01 H new ATOM 660 N GLY A 42 -0.287 0.428 -1.229 1.00 64.11 N ATOM 661 CA GLY A 42 -0.763 -0.579 -2.154 1.00 62.40 C ATOM 662 C GLY A 42 -2.107 -0.216 -2.756 1.00 22.03 C ATOM 663 O GLY A 42 -2.340 -0.445 -3.939 1.00 34.23 O ATOM 0 H GLY A 42 -0.094 0.083 -0.289 1.00 64.11 H new ATOM 0 HA2 GLY A 42 -0.033 -0.710 -2.953 1.00 62.40 H new ATOM 0 HA3 GLY A 42 -0.845 -1.535 -1.637 1.00 62.40 H new ATOM 667 N ASN A 43 -2.981 0.362 -1.940 1.00 70.13 N ATOM 668 CA ASN A 43 -4.299 0.793 -2.402 1.00 32.43 C ATOM 669 C ASN A 43 -4.170 1.914 -3.430 1.00 43.41 C ATOM 670 O ASN A 43 -4.844 1.909 -4.464 1.00 61.43 O ATOM 671 CB ASN A 43 -5.161 1.271 -1.226 1.00 64.41 C ATOM 672 CG ASN A 43 -5.456 0.170 -0.222 1.00 22.25 C ATOM 673 OD1 ASN A 43 -5.522 -1.006 -0.571 1.00 34.41 O ATOM 674 ND2 ASN A 43 -5.646 0.545 1.035 1.00 2.40 N ATOM 0 H ASN A 43 -2.802 0.544 -0.953 1.00 70.13 H new ATOM 0 HA ASN A 43 -4.784 -0.064 -2.869 1.00 32.43 H new ATOM 0 HB2 ASN A 43 -4.652 2.091 -0.719 1.00 64.41 H new ATOM 0 HB3 ASN A 43 -6.101 1.668 -1.609 1.00 64.41 H new ATOM 0 HD21 ASN A 43 -5.855 -0.153 1.749 1.00 2.40 H new ATOM 0 HD22 ASN A 43 -5.583 1.531 1.288 1.00 2.40 H new ATOM 681 N ALA A 44 -3.295 2.872 -3.141 1.00 23.33 N ATOM 682 CA ALA A 44 -3.066 3.996 -4.037 1.00 11.05 C ATOM 683 C ALA A 44 -2.459 3.523 -5.351 1.00 11.23 C ATOM 684 O ALA A 44 -2.921 3.896 -6.431 1.00 72.40 O ATOM 685 CB ALA A 44 -2.164 5.026 -3.374 1.00 32.33 C ATOM 0 H ALA A 44 -2.732 2.891 -2.290 1.00 23.33 H new ATOM 0 HA ALA A 44 -4.027 4.463 -4.254 1.00 11.05 H new ATOM 0 HB1 ALA A 44 -2.002 5.861 -4.056 1.00 32.33 H new ATOM 0 HB2 ALA A 44 -2.636 5.390 -2.462 1.00 32.33 H new ATOM 0 HB3 ALA A 44 -1.206 4.567 -3.129 1.00 32.33 H new ATOM 691 N TYR A 45 -1.432 2.688 -5.256 1.00 34.51 N ATOM 692 CA TYR A 45 -0.783 2.142 -6.441 1.00 40.33 C ATOM 693 C TYR A 45 -1.727 1.229 -7.222 1.00 71.35 C ATOM 694 O TYR A 45 -1.606 1.100 -8.442 1.00 25.35 O ATOM 695 CB TYR A 45 0.482 1.378 -6.062 1.00 2.45 C ATOM 696 CG TYR A 45 1.632 2.265 -5.634 1.00 34.41 C ATOM 697 CD1 TYR A 45 2.214 3.159 -6.524 1.00 14.11 C ATOM 698 CD2 TYR A 45 2.148 2.192 -4.347 1.00 11.01 C ATOM 699 CE1 TYR A 45 3.276 3.954 -6.143 1.00 0.22 C ATOM 700 CE2 TYR A 45 3.211 2.983 -3.961 1.00 51.52 C ATOM 701 CZ TYR A 45 3.771 3.862 -4.862 1.00 23.42 C ATOM 702 OH TYR A 45 4.831 4.650 -4.481 1.00 31.41 O ATOM 0 H TYR A 45 -1.031 2.374 -4.372 1.00 34.51 H new ATOM 0 HA TYR A 45 -0.511 2.982 -7.080 1.00 40.33 H new ATOM 0 HB2 TYR A 45 0.248 0.688 -5.252 1.00 2.45 H new ATOM 0 HB3 TYR A 45 0.799 0.775 -6.913 1.00 2.45 H new ATOM 0 HD1 TYR A 45 1.829 3.233 -7.530 1.00 14.11 H new ATOM 0 HD2 TYR A 45 1.711 1.506 -3.637 1.00 11.01 H new ATOM 0 HE1 TYR A 45 3.716 4.645 -6.847 1.00 0.22 H new ATOM 0 HE2 TYR A 45 3.602 2.913 -2.957 1.00 51.52 H new ATOM 0 HH TYR A 45 5.057 4.464 -3.546 1.00 31.41 H new ATOM 712 N ARG A 46 -2.660 0.601 -6.515 1.00 75.22 N ATOM 713 CA ARG A 46 -3.675 -0.235 -7.147 1.00 24.50 C ATOM 714 C ARG A 46 -4.538 0.602 -8.088 1.00 34.11 C ATOM 715 O ARG A 46 -4.885 0.159 -9.185 1.00 75.12 O ATOM 716 CB ARG A 46 -4.546 -0.908 -6.082 1.00 41.32 C ATOM 717 CG ARG A 46 -5.643 -1.797 -6.646 1.00 31.31 C ATOM 718 CD ARG A 46 -6.409 -2.507 -5.539 1.00 62.02 C ATOM 719 NE ARG A 46 -7.528 -3.291 -6.063 1.00 72.44 N ATOM 720 CZ ARG A 46 -8.450 -3.880 -5.302 1.00 61.43 C ATOM 721 NH1 ARG A 46 -8.455 -3.694 -3.987 1.00 11.34 N ATOM 722 NH2 ARG A 46 -9.390 -4.633 -5.858 1.00 74.23 N ATOM 0 H ARG A 46 -2.735 0.655 -5.499 1.00 75.22 H new ATOM 0 HA ARG A 46 -3.177 -1.010 -7.729 1.00 24.50 H new ATOM 0 HB2 ARG A 46 -3.908 -1.506 -5.431 1.00 41.32 H new ATOM 0 HB3 ARG A 46 -5.002 -0.137 -5.461 1.00 41.32 H new ATOM 0 HG2 ARG A 46 -6.332 -1.195 -7.239 1.00 31.31 H new ATOM 0 HG3 ARG A 46 -5.205 -2.535 -7.318 1.00 31.31 H new ATOM 0 HD2 ARG A 46 -5.731 -3.163 -4.992 1.00 62.02 H new ATOM 0 HD3 ARG A 46 -6.784 -1.771 -4.828 1.00 62.02 H new ATOM 0 HE ARG A 46 -7.607 -3.393 -7.075 1.00 72.44 H new ATOM 0 HH11 ARG A 46 -7.750 -3.097 -3.554 1.00 11.34 H new ATOM 0 HH12 ARG A 46 -9.164 -4.148 -3.410 1.00 11.34 H new ATOM 0 HH21 ARG A 46 -9.408 -4.762 -6.870 1.00 74.23 H new ATOM 0 HH22 ARG A 46 -10.095 -5.083 -5.274 1.00 74.23 H new ATOM 736 N LYS A 47 -4.870 1.816 -7.661 1.00 40.21 N ATOM 737 CA LYS A 47 -5.622 2.735 -8.508 1.00 51.41 C ATOM 738 C LYS A 47 -4.767 3.239 -9.665 1.00 1.33 C ATOM 739 O LYS A 47 -5.282 3.527 -10.744 1.00 71.44 O ATOM 740 CB LYS A 47 -6.159 3.922 -7.704 1.00 2.50 C ATOM 741 CG LYS A 47 -7.422 3.612 -6.918 1.00 33.34 C ATOM 742 CD LYS A 47 -8.098 4.888 -6.435 1.00 12.24 C ATOM 743 CE LYS A 47 -9.514 4.621 -5.949 1.00 15.14 C ATOM 744 NZ LYS A 47 -10.250 5.884 -5.673 1.00 21.34 N ATOM 0 H LYS A 47 -4.632 2.185 -6.740 1.00 40.21 H new ATOM 0 HA LYS A 47 -6.468 2.180 -8.913 1.00 51.41 H new ATOM 0 HB2 LYS A 47 -5.386 4.260 -7.013 1.00 2.50 H new ATOM 0 HB3 LYS A 47 -6.360 4.749 -8.385 1.00 2.50 H new ATOM 0 HG2 LYS A 47 -8.113 3.046 -7.543 1.00 33.34 H new ATOM 0 HG3 LYS A 47 -7.176 2.982 -6.063 1.00 33.34 H new ATOM 0 HD2 LYS A 47 -7.512 5.328 -5.628 1.00 12.24 H new ATOM 0 HD3 LYS A 47 -8.122 5.617 -7.245 1.00 12.24 H new ATOM 0 HE2 LYS A 47 -10.053 4.043 -6.699 1.00 15.14 H new ATOM 0 HE3 LYS A 47 -9.480 4.015 -5.044 1.00 15.14 H new ATOM 0 HZ1 LYS A 47 -11.269 5.685 -5.609 1.00 21.34 H new ATOM 0 HZ2 LYS A 47 -9.919 6.289 -4.774 1.00 21.34 H new ATOM 0 HZ3 LYS A 47 -10.077 6.562 -6.442 1.00 21.34 H new ATOM 758 N LEU A 48 -3.462 3.347 -9.436 1.00 44.51 N ATOM 759 CA LEU A 48 -2.538 3.786 -10.478 1.00 13.34 C ATOM 760 C LEU A 48 -2.412 2.735 -11.575 1.00 11.20 C ATOM 761 O LEU A 48 -2.354 3.065 -12.758 1.00 74.33 O ATOM 762 CB LEU A 48 -1.155 4.085 -9.896 1.00 45.35 C ATOM 763 CG LEU A 48 -1.078 5.317 -8.995 1.00 14.55 C ATOM 764 CD1 LEU A 48 0.336 5.505 -8.471 1.00 55.21 C ATOM 765 CD2 LEU A 48 -1.534 6.561 -9.746 1.00 33.01 C ATOM 0 H LEU A 48 -3.021 3.137 -8.541 1.00 44.51 H new ATOM 0 HA LEU A 48 -2.945 4.701 -10.909 1.00 13.34 H new ATOM 0 HB2 LEU A 48 -0.823 3.217 -9.326 1.00 45.35 H new ATOM 0 HB3 LEU A 48 -0.452 4.213 -10.719 1.00 45.35 H new ATOM 0 HG LEU A 48 -1.745 5.163 -8.147 1.00 14.55 H new ATOM 0 HD11 LEU A 48 0.373 6.387 -7.831 1.00 55.21 H new ATOM 0 HD12 LEU A 48 0.631 4.627 -7.896 1.00 55.21 H new ATOM 0 HD13 LEU A 48 1.020 5.636 -9.309 1.00 55.21 H new ATOM 0 HD21 LEU A 48 -1.472 7.427 -9.087 1.00 33.01 H new ATOM 0 HD22 LEU A 48 -0.893 6.718 -10.613 1.00 33.01 H new ATOM 0 HD23 LEU A 48 -2.565 6.430 -10.076 1.00 33.01 H new ATOM 777 N GLY A 49 -2.364 1.472 -11.174 1.00 5.40 N ATOM 778 CA GLY A 49 -2.268 0.396 -12.139 1.00 31.44 C ATOM 779 C GLY A 49 -0.916 -0.285 -12.115 1.00 41.15 C ATOM 780 O GLY A 49 -0.622 -1.128 -12.963 1.00 65.53 O ATOM 0 H GLY A 49 -2.390 1.174 -10.199 1.00 5.40 H new ATOM 0 HA2 GLY A 49 -3.046 -0.340 -11.936 1.00 31.44 H new ATOM 0 HA3 GLY A 49 -2.455 0.790 -13.138 1.00 31.44 H new ATOM 784 N ASP A 50 -0.088 0.081 -11.144 1.00 41.23 N ATOM 785 CA ASP A 50 1.216 -0.546 -10.983 1.00 43.10 C ATOM 786 C ASP A 50 1.142 -1.570 -9.864 1.00 13.34 C ATOM 787 O ASP A 50 1.208 -1.224 -8.680 1.00 24.41 O ATOM 788 CB ASP A 50 2.299 0.492 -10.674 1.00 2.54 C ATOM 789 CG ASP A 50 3.705 -0.078 -10.790 1.00 22.24 C ATOM 790 OD1 ASP A 50 4.095 -0.917 -9.951 1.00 14.00 O ATOM 791 OD2 ASP A 50 4.433 0.319 -11.723 1.00 72.32 O ATOM 0 H ASP A 50 -0.296 0.807 -10.458 1.00 41.23 H new ATOM 0 HA ASP A 50 1.484 -1.037 -11.919 1.00 43.10 H new ATOM 0 HB2 ASP A 50 2.195 1.335 -11.357 1.00 2.54 H new ATOM 0 HB3 ASP A 50 2.150 0.879 -9.666 1.00 2.54 H new ATOM 796 N TRP A 51 0.981 -2.828 -10.240 1.00 74.13 N ATOM 797 CA TRP A 51 0.809 -3.895 -9.268 1.00 63.01 C ATOM 798 C TRP A 51 2.129 -4.219 -8.586 1.00 13.55 C ATOM 799 O TRP A 51 2.147 -4.734 -7.470 1.00 53.05 O ATOM 800 CB TRP A 51 0.232 -5.144 -9.935 1.00 13.12 C ATOM 801 CG TRP A 51 -1.094 -4.903 -10.592 1.00 64.23 C ATOM 802 CD1 TRP A 51 -1.320 -4.700 -11.921 1.00 23.21 C ATOM 803 CD2 TRP A 51 -2.374 -4.834 -9.951 1.00 72.00 C ATOM 804 NE1 TRP A 51 -2.661 -4.507 -12.148 1.00 74.34 N ATOM 805 CE2 TRP A 51 -3.330 -4.586 -10.954 1.00 15.54 C ATOM 806 CE3 TRP A 51 -2.803 -4.957 -8.627 1.00 63.22 C ATOM 807 CZ2 TRP A 51 -4.690 -4.462 -10.674 1.00 24.31 C ATOM 808 CZ3 TRP A 51 -4.150 -4.835 -8.348 1.00 72.33 C ATOM 809 CH2 TRP A 51 -5.081 -4.590 -9.368 1.00 71.31 C ATOM 0 H TRP A 51 0.966 -3.136 -11.212 1.00 74.13 H new ATOM 0 HA TRP A 51 0.105 -3.553 -8.509 1.00 63.01 H new ATOM 0 HB2 TRP A 51 0.939 -5.509 -10.680 1.00 13.12 H new ATOM 0 HB3 TRP A 51 0.122 -5.930 -9.187 1.00 13.12 H new ATOM 0 HD1 TRP A 51 -0.556 -4.692 -12.684 1.00 23.21 H new ATOM 0 HE1 TRP A 51 -3.089 -4.333 -13.057 1.00 74.34 H new ATOM 0 HE3 TRP A 51 -2.093 -5.144 -7.835 1.00 63.22 H new ATOM 0 HZ2 TRP A 51 -5.408 -4.272 -11.458 1.00 24.31 H new ATOM 0 HZ3 TRP A 51 -4.492 -4.930 -7.328 1.00 72.33 H new ATOM 0 HH2 TRP A 51 -6.128 -4.500 -9.118 1.00 71.31 H new ATOM 820 N GLN A 52 3.232 -3.903 -9.259 1.00 24.24 N ATOM 821 CA GLN A 52 4.557 -4.100 -8.684 1.00 61.02 C ATOM 822 C GLN A 52 4.716 -3.275 -7.419 1.00 43.01 C ATOM 823 O GLN A 52 5.165 -3.781 -6.388 1.00 23.54 O ATOM 824 CB GLN A 52 5.649 -3.727 -9.685 1.00 32.32 C ATOM 825 CG GLN A 52 5.880 -4.775 -10.755 1.00 3.34 C ATOM 826 CD GLN A 52 6.234 -6.125 -10.167 1.00 62.11 C ATOM 827 OE1 GLN A 52 6.798 -6.209 -9.077 1.00 70.22 O ATOM 828 NE2 GLN A 52 5.919 -7.186 -10.888 1.00 3.15 N ATOM 0 H GLN A 52 3.234 -3.511 -10.200 1.00 24.24 H new ATOM 0 HA GLN A 52 4.659 -5.156 -8.436 1.00 61.02 H new ATOM 0 HB2 GLN A 52 5.384 -2.784 -10.164 1.00 32.32 H new ATOM 0 HB3 GLN A 52 6.581 -3.559 -9.146 1.00 32.32 H new ATOM 0 HG2 GLN A 52 4.983 -4.871 -11.367 1.00 3.34 H new ATOM 0 HG3 GLN A 52 6.683 -4.447 -11.415 1.00 3.34 H new ATOM 0 HE21 GLN A 52 5.451 -7.071 -11.787 1.00 3.15 H new ATOM 0 HE22 GLN A 52 6.143 -8.120 -10.546 1.00 3.15 H new ATOM 837 N LYS A 53 4.337 -2.006 -7.495 1.00 51.34 N ATOM 838 CA LYS A 53 4.395 -1.133 -6.333 1.00 33.41 C ATOM 839 C LYS A 53 3.519 -1.693 -5.223 1.00 65.22 C ATOM 840 O LYS A 53 3.926 -1.737 -4.065 1.00 31.25 O ATOM 841 CB LYS A 53 3.920 0.280 -6.666 1.00 2.51 C ATOM 842 CG LYS A 53 4.687 1.005 -7.764 1.00 2.30 C ATOM 843 CD LYS A 53 6.161 1.181 -7.441 1.00 32.45 C ATOM 844 CE LYS A 53 6.981 -0.004 -7.922 1.00 43.22 C ATOM 845 NZ LYS A 53 6.739 -0.291 -9.362 1.00 20.52 N ATOM 0 H LYS A 53 3.988 -1.561 -8.344 1.00 51.34 H new ATOM 0 HA LYS A 53 5.435 -1.084 -6.011 1.00 33.41 H new ATOM 0 HB2 LYS A 53 2.871 0.229 -6.957 1.00 2.51 H new ATOM 0 HB3 LYS A 53 3.970 0.881 -5.758 1.00 2.51 H new ATOM 0 HG2 LYS A 53 4.589 0.449 -8.696 1.00 2.30 H new ATOM 0 HG3 LYS A 53 4.237 1.984 -7.928 1.00 2.30 H new ATOM 0 HD2 LYS A 53 6.530 2.094 -7.908 1.00 32.45 H new ATOM 0 HD3 LYS A 53 6.287 1.300 -6.365 1.00 32.45 H new ATOM 0 HE2 LYS A 53 8.040 0.198 -7.764 1.00 43.22 H new ATOM 0 HE3 LYS A 53 6.732 -0.884 -7.329 1.00 43.22 H new ATOM 0 HZ1 LYS A 53 7.492 -0.910 -9.724 1.00 20.52 H new ATOM 0 HZ2 LYS A 53 5.819 -0.764 -9.472 1.00 20.52 H new ATOM 0 HZ3 LYS A 53 6.736 0.600 -9.898 1.00 20.52 H new ATOM 859 N ALA A 54 2.319 -2.130 -5.594 1.00 74.33 N ATOM 860 CA ALA A 54 1.372 -2.678 -4.635 1.00 5.35 C ATOM 861 C ALA A 54 1.966 -3.879 -3.907 1.00 34.45 C ATOM 862 O ALA A 54 1.987 -3.911 -2.679 1.00 54.01 O ATOM 863 CB ALA A 54 0.074 -3.063 -5.330 1.00 64.43 C ATOM 0 H ALA A 54 1.981 -2.114 -6.556 1.00 74.33 H new ATOM 0 HA ALA A 54 1.155 -1.908 -3.895 1.00 5.35 H new ATOM 0 HB1 ALA A 54 -0.623 -3.471 -4.598 1.00 64.43 H new ATOM 0 HB2 ALA A 54 -0.365 -2.181 -5.796 1.00 64.43 H new ATOM 0 HB3 ALA A 54 0.279 -3.813 -6.094 1.00 64.43 H new ATOM 869 N LEU A 55 2.473 -4.846 -4.673 1.00 4.25 N ATOM 870 CA LEU A 55 3.079 -6.053 -4.106 1.00 74.33 C ATOM 871 C LEU A 55 4.175 -5.704 -3.113 1.00 24.13 C ATOM 872 O LEU A 55 4.163 -6.162 -1.971 1.00 23.41 O ATOM 873 CB LEU A 55 3.677 -6.922 -5.214 1.00 53.33 C ATOM 874 CG LEU A 55 2.677 -7.497 -6.211 1.00 54.14 C ATOM 875 CD1 LEU A 55 3.413 -8.160 -7.362 1.00 20.22 C ATOM 876 CD2 LEU A 55 1.754 -8.492 -5.522 1.00 4.23 C ATOM 0 H LEU A 55 2.476 -4.817 -5.693 1.00 4.25 H new ATOM 0 HA LEU A 55 2.291 -6.601 -3.589 1.00 74.33 H new ATOM 0 HB2 LEU A 55 4.409 -6.328 -5.762 1.00 53.33 H new ATOM 0 HB3 LEU A 55 4.218 -7.748 -4.752 1.00 53.33 H new ATOM 0 HG LEU A 55 2.069 -6.685 -6.608 1.00 54.14 H new ATOM 0 HD11 LEU A 55 2.691 -8.568 -8.069 1.00 20.22 H new ATOM 0 HD12 LEU A 55 4.038 -7.423 -7.866 1.00 20.22 H new ATOM 0 HD13 LEU A 55 4.039 -8.965 -6.978 1.00 20.22 H new ATOM 0 HD21 LEU A 55 1.046 -8.894 -6.247 1.00 4.23 H new ATOM 0 HD22 LEU A 55 2.345 -9.306 -5.102 1.00 4.23 H new ATOM 0 HD23 LEU A 55 1.209 -7.990 -4.723 1.00 4.23 H new ATOM 888 N ASN A 56 5.107 -4.873 -3.559 1.00 13.52 N ATOM 889 CA ASN A 56 6.251 -4.493 -2.743 1.00 53.11 C ATOM 890 C ASN A 56 5.808 -3.771 -1.475 1.00 43.53 C ATOM 891 O ASN A 56 6.235 -4.122 -0.377 1.00 51.31 O ATOM 892 CB ASN A 56 7.223 -3.615 -3.541 1.00 23.03 C ATOM 893 CG ASN A 56 8.098 -4.418 -4.491 1.00 44.43 C ATOM 894 OD1 ASN A 56 9.174 -4.884 -4.116 1.00 71.55 O ATOM 895 ND2 ASN A 56 7.651 -4.585 -5.728 1.00 12.11 N ATOM 0 H ASN A 56 5.092 -4.448 -4.486 1.00 13.52 H new ATOM 0 HA ASN A 56 6.767 -5.408 -2.452 1.00 53.11 H new ATOM 0 HB2 ASN A 56 6.656 -2.879 -4.111 1.00 23.03 H new ATOM 0 HB3 ASN A 56 7.858 -3.062 -2.849 1.00 23.03 H new ATOM 0 HD21 ASN A 56 8.204 -5.114 -6.403 1.00 12.11 H new ATOM 0 HD22 ASN A 56 6.754 -4.185 -6.005 1.00 12.11 H new ATOM 902 N ASN A 57 4.923 -2.790 -1.619 1.00 72.54 N ATOM 903 CA ASN A 57 4.475 -1.995 -0.477 1.00 55.43 C ATOM 904 C ASN A 57 3.642 -2.827 0.495 1.00 70.03 C ATOM 905 O ASN A 57 3.813 -2.714 1.710 1.00 73.42 O ATOM 906 CB ASN A 57 3.696 -0.758 -0.933 1.00 5.50 C ATOM 907 CG ASN A 57 4.615 0.358 -1.407 1.00 34.30 C ATOM 908 OD1 ASN A 57 5.051 1.193 -0.616 1.00 45.31 O ATOM 909 ND2 ASN A 57 4.911 0.383 -2.696 1.00 3.14 N ATOM 0 H ASN A 57 4.502 -2.526 -2.510 1.00 72.54 H new ATOM 0 HA ASN A 57 5.368 -1.660 0.051 1.00 55.43 H new ATOM 0 HB2 ASN A 57 3.018 -1.035 -1.740 1.00 5.50 H new ATOM 0 HB3 ASN A 57 3.081 -0.395 -0.110 1.00 5.50 H new ATOM 0 HD21 ASN A 57 5.521 1.113 -3.065 1.00 3.14 H new ATOM 0 HD22 ASN A 57 4.530 -0.327 -3.321 1.00 3.14 H new ATOM 916 N TYR A 58 2.759 -3.677 -0.027 1.00 75.12 N ATOM 917 CA TYR A 58 1.991 -4.580 0.829 1.00 24.21 C ATOM 918 C TYR A 58 2.934 -5.479 1.618 1.00 35.03 C ATOM 919 O TYR A 58 2.771 -5.669 2.823 1.00 34.40 O ATOM 920 CB TYR A 58 1.028 -5.456 0.016 1.00 1.41 C ATOM 921 CG TYR A 58 -0.253 -4.772 -0.404 1.00 30.44 C ATOM 922 CD1 TYR A 58 -1.041 -4.092 0.518 1.00 40.12 C ATOM 923 CD2 TYR A 58 -0.692 -4.833 -1.720 1.00 63.31 C ATOM 924 CE1 TYR A 58 -2.228 -3.494 0.135 1.00 75.31 C ATOM 925 CE2 TYR A 58 -1.870 -4.233 -2.109 1.00 2.24 C ATOM 926 CZ TYR A 58 -2.636 -3.568 -1.179 1.00 30.24 C ATOM 927 OH TYR A 58 -3.818 -2.978 -1.565 1.00 61.11 O ATOM 0 H TYR A 58 2.559 -3.760 -1.024 1.00 75.12 H new ATOM 0 HA TYR A 58 1.403 -3.962 1.508 1.00 24.21 H new ATOM 0 HB2 TYR A 58 1.545 -5.807 -0.877 1.00 1.41 H new ATOM 0 HB3 TYR A 58 0.776 -6.337 0.606 1.00 1.41 H new ATOM 0 HD1 TYR A 58 -0.722 -4.030 1.548 1.00 40.12 H new ATOM 0 HD2 TYR A 58 -0.099 -5.361 -2.452 1.00 63.31 H new ATOM 0 HE1 TYR A 58 -2.832 -2.972 0.862 1.00 75.31 H new ATOM 0 HE2 TYR A 58 -2.191 -4.284 -3.139 1.00 2.24 H new ATOM 0 HH TYR A 58 -4.089 -2.318 -0.893 1.00 61.11 H new ATOM 937 N GLN A 59 3.934 -6.011 0.928 1.00 74.22 N ATOM 938 CA GLN A 59 4.900 -6.909 1.541 1.00 71.44 C ATOM 939 C GLN A 59 5.786 -6.147 2.530 1.00 2.11 C ATOM 940 O GLN A 59 6.263 -6.714 3.516 1.00 25.40 O ATOM 941 CB GLN A 59 5.730 -7.601 0.449 1.00 62.21 C ATOM 942 CG GLN A 59 6.463 -8.847 0.919 1.00 52.22 C ATOM 943 CD GLN A 59 7.782 -8.538 1.588 1.00 41.22 C ATOM 944 OE1 GLN A 59 8.448 -7.563 1.244 1.00 33.44 O ATOM 945 NE2 GLN A 59 8.163 -9.359 2.550 1.00 40.43 N ATOM 0 H GLN A 59 4.097 -5.834 -0.063 1.00 74.22 H new ATOM 0 HA GLN A 59 4.373 -7.679 2.104 1.00 71.44 H new ATOM 0 HB2 GLN A 59 5.071 -7.870 -0.376 1.00 62.21 H new ATOM 0 HB3 GLN A 59 6.458 -6.891 0.057 1.00 62.21 H new ATOM 0 HG2 GLN A 59 5.828 -9.395 1.615 1.00 52.22 H new ATOM 0 HG3 GLN A 59 6.639 -9.502 0.066 1.00 52.22 H new ATOM 0 HE21 GLN A 59 7.578 -10.156 2.802 1.00 40.43 H new ATOM 0 HE22 GLN A 59 9.042 -9.196 3.041 1.00 40.43 H new ATOM 954 N SER A 60 5.978 -4.854 2.279 1.00 55.23 N ATOM 955 CA SER A 60 6.717 -3.997 3.199 1.00 43.45 C ATOM 956 C SER A 60 6.027 -3.971 4.563 1.00 13.43 C ATOM 957 O SER A 60 6.683 -4.030 5.604 1.00 5.14 O ATOM 958 CB SER A 60 6.835 -2.576 2.633 1.00 51.31 C ATOM 959 OG SER A 60 7.483 -2.577 1.370 1.00 54.31 O ATOM 0 H SER A 60 5.632 -4.378 1.446 1.00 55.23 H new ATOM 0 HA SER A 60 7.721 -4.402 3.322 1.00 43.45 H new ATOM 0 HB2 SER A 60 5.842 -2.138 2.534 1.00 51.31 H new ATOM 0 HB3 SER A 60 7.392 -1.950 3.330 1.00 51.31 H new ATOM 0 HG SER A 60 6.944 -3.082 0.726 1.00 54.31 H new ATOM 965 N ALA A 61 4.697 -3.905 4.551 1.00 52.42 N ATOM 966 CA ALA A 61 3.919 -3.949 5.782 1.00 64.40 C ATOM 967 C ALA A 61 4.027 -5.319 6.441 1.00 11.41 C ATOM 968 O ALA A 61 4.056 -5.427 7.669 1.00 34.03 O ATOM 969 CB ALA A 61 2.467 -3.612 5.499 1.00 60.10 C ATOM 0 H ALA A 61 4.138 -3.821 3.702 1.00 52.42 H new ATOM 0 HA ALA A 61 4.323 -3.207 6.470 1.00 64.40 H new ATOM 0 HB1 ALA A 61 1.897 -3.649 6.428 1.00 60.10 H new ATOM 0 HB2 ALA A 61 2.402 -2.611 5.073 1.00 60.10 H new ATOM 0 HB3 ALA A 61 2.057 -4.334 4.793 1.00 60.10 H new ATOM 975 N ILE A 62 4.104 -6.359 5.616 1.00 14.34 N ATOM 976 CA ILE A 62 4.231 -7.728 6.105 1.00 4.10 C ATOM 977 C ILE A 62 5.486 -7.892 6.962 1.00 73.15 C ATOM 978 O ILE A 62 5.443 -8.493 8.038 1.00 54.23 O ATOM 979 CB ILE A 62 4.280 -8.743 4.940 1.00 51.23 C ATOM 980 CG1 ILE A 62 3.016 -8.630 4.082 1.00 53.15 C ATOM 981 CG2 ILE A 62 4.442 -10.163 5.474 1.00 50.30 C ATOM 982 CD1 ILE A 62 2.990 -9.583 2.907 1.00 23.04 C ATOM 0 H ILE A 62 4.080 -6.278 4.599 1.00 14.34 H new ATOM 0 HA ILE A 62 3.349 -7.929 6.713 1.00 4.10 H new ATOM 0 HB ILE A 62 5.143 -8.513 4.315 1.00 51.23 H new ATOM 0 HG12 ILE A 62 2.144 -8.817 4.709 1.00 53.15 H new ATOM 0 HG13 ILE A 62 2.929 -7.609 3.712 1.00 53.15 H new ATOM 0 HG21 ILE A 62 4.475 -10.864 4.640 1.00 50.30 H new ATOM 0 HG22 ILE A 62 5.368 -10.234 6.044 1.00 50.30 H new ATOM 0 HG23 ILE A 62 3.599 -10.407 6.120 1.00 50.30 H new ATOM 0 HD11 ILE A 62 2.065 -9.445 2.347 1.00 23.04 H new ATOM 0 HD12 ILE A 62 3.842 -9.382 2.257 1.00 23.04 H new ATOM 0 HD13 ILE A 62 3.044 -10.609 3.270 1.00 23.04 H new ATOM 994 N GLU A 63 6.600 -7.345 6.488 1.00 72.04 N ATOM 995 CA GLU A 63 7.862 -7.468 7.204 1.00 65.41 C ATOM 996 C GLU A 63 7.890 -6.592 8.452 1.00 44.52 C ATOM 997 O GLU A 63 8.684 -6.828 9.364 1.00 5.01 O ATOM 998 CB GLU A 63 9.044 -7.150 6.289 1.00 14.12 C ATOM 999 CG GLU A 63 9.316 -8.249 5.276 1.00 74.25 C ATOM 1000 CD GLU A 63 10.643 -8.087 4.568 1.00 60.23 C ATOM 1001 OE1 GLU A 63 11.641 -7.759 5.239 1.00 53.50 O ATOM 1002 OE2 GLU A 63 10.701 -8.322 3.342 1.00 44.30 O ATOM 0 H GLU A 63 6.654 -6.816 5.618 1.00 72.04 H new ATOM 0 HA GLU A 63 7.951 -8.504 7.529 1.00 65.41 H new ATOM 0 HB2 GLU A 63 8.849 -6.216 5.762 1.00 14.12 H new ATOM 0 HB3 GLU A 63 9.936 -6.993 6.896 1.00 14.12 H new ATOM 0 HG2 GLU A 63 9.296 -9.214 5.782 1.00 74.25 H new ATOM 0 HG3 GLU A 63 8.515 -8.260 4.537 1.00 74.25 H new ATOM 1009 N LEU A 64 7.019 -5.597 8.505 1.00 73.34 N ATOM 1010 CA LEU A 64 6.875 -4.793 9.710 1.00 3.14 C ATOM 1011 C LEU A 64 6.148 -5.601 10.777 1.00 60.41 C ATOM 1012 O LEU A 64 6.618 -5.726 11.909 1.00 71.33 O ATOM 1013 CB LEU A 64 6.113 -3.499 9.414 1.00 64.43 C ATOM 1014 CG LEU A 64 6.787 -2.562 8.411 1.00 50.20 C ATOM 1015 CD1 LEU A 64 5.909 -1.355 8.146 1.00 33.25 C ATOM 1016 CD2 LEU A 64 8.153 -2.126 8.914 1.00 62.35 C ATOM 0 H LEU A 64 6.406 -5.328 7.736 1.00 73.34 H new ATOM 0 HA LEU A 64 7.867 -4.524 10.073 1.00 3.14 H new ATOM 0 HB2 LEU A 64 5.123 -3.757 9.038 1.00 64.43 H new ATOM 0 HB3 LEU A 64 5.967 -2.960 10.350 1.00 64.43 H new ATOM 0 HG LEU A 64 6.926 -3.104 7.476 1.00 50.20 H new ATOM 0 HD11 LEU A 64 6.402 -0.697 7.430 1.00 33.25 H new ATOM 0 HD12 LEU A 64 4.953 -1.683 7.739 1.00 33.25 H new ATOM 0 HD13 LEU A 64 5.741 -0.816 9.078 1.00 33.25 H new ATOM 0 HD21 LEU A 64 8.614 -1.460 8.184 1.00 62.35 H new ATOM 0 HD22 LEU A 64 8.041 -1.602 9.863 1.00 62.35 H new ATOM 0 HD23 LEU A 64 8.785 -3.002 9.056 1.00 62.35 H new ATOM 1028 N ASN A 65 5.006 -6.158 10.396 1.00 12.04 N ATOM 1029 CA ASN A 65 4.234 -7.029 11.271 1.00 22.11 C ATOM 1030 C ASN A 65 3.291 -7.897 10.445 1.00 63.41 C ATOM 1031 O ASN A 65 2.492 -7.387 9.661 1.00 62.42 O ATOM 1032 CB ASN A 65 3.454 -6.218 12.321 1.00 62.33 C ATOM 1033 CG ASN A 65 2.638 -5.078 11.731 1.00 73.33 C ATOM 1034 OD1 ASN A 65 3.144 -3.973 11.543 1.00 4.20 O ATOM 1035 ND2 ASN A 65 1.365 -5.325 11.463 1.00 13.01 N ATOM 0 H ASN A 65 4.590 -6.019 9.475 1.00 12.04 H new ATOM 0 HA ASN A 65 4.927 -7.677 11.807 1.00 22.11 H new ATOM 0 HB2 ASN A 65 2.787 -6.888 12.863 1.00 62.33 H new ATOM 0 HB3 ASN A 65 4.157 -5.812 13.049 1.00 62.33 H new ATOM 0 HD21 ASN A 65 0.770 -4.586 11.088 1.00 13.01 H new ATOM 0 HD22 ASN A 65 0.979 -6.254 11.632 1.00 13.01 H new ATOM 1042 N PRO A 66 3.376 -9.226 10.611 1.00 61.15 N ATOM 1043 CA PRO A 66 2.589 -10.186 9.827 1.00 53.12 C ATOM 1044 C PRO A 66 1.116 -10.199 10.225 1.00 5.24 C ATOM 1045 O PRO A 66 0.285 -10.832 9.572 1.00 24.12 O ATOM 1046 CB PRO A 66 3.240 -11.543 10.143 1.00 61.24 C ATOM 1047 CG PRO A 66 4.491 -11.229 10.898 1.00 52.53 C ATOM 1048 CD PRO A 66 4.254 -9.909 11.567 1.00 71.12 C ATOM 0 HA PRO A 66 2.595 -9.935 8.766 1.00 53.12 H new ATOM 0 HB2 PRO A 66 2.572 -12.168 10.736 1.00 61.24 H new ATOM 0 HB3 PRO A 66 3.463 -12.092 9.228 1.00 61.24 H new ATOM 0 HG2 PRO A 66 4.708 -12.005 11.633 1.00 52.53 H new ATOM 0 HG3 PRO A 66 5.348 -11.177 10.227 1.00 52.53 H new ATOM 0 HD2 PRO A 66 3.780 -10.027 12.542 1.00 71.12 H new ATOM 0 HD3 PRO A 66 5.183 -9.362 11.728 1.00 71.12 H new ATOM 1056 N ASP A 67 0.798 -9.484 11.289 1.00 72.24 N ATOM 1057 CA ASP A 67 -0.571 -9.403 11.784 1.00 61.30 C ATOM 1058 C ASP A 67 -1.315 -8.250 11.115 1.00 14.33 C ATOM 1059 O ASP A 67 -2.182 -7.616 11.719 1.00 1.20 O ATOM 1060 CB ASP A 67 -0.568 -9.220 13.305 1.00 43.11 C ATOM 1061 CG ASP A 67 0.073 -10.387 14.031 1.00 53.23 C ATOM 1062 OD1 ASP A 67 -0.633 -11.375 14.326 1.00 33.03 O ATOM 1063 OD2 ASP A 67 1.287 -10.323 14.316 1.00 33.33 O ATOM 0 H ASP A 67 1.473 -8.946 11.833 1.00 72.24 H new ATOM 0 HA ASP A 67 -1.086 -10.332 11.540 1.00 61.30 H new ATOM 0 HB2 ASP A 67 -0.034 -8.303 13.556 1.00 43.11 H new ATOM 0 HB3 ASP A 67 -1.593 -9.098 13.655 1.00 43.11 H new ATOM 1068 N SER A 68 -0.969 -7.990 9.864 1.00 34.21 N ATOM 1069 CA SER A 68 -1.603 -6.938 9.090 1.00 10.34 C ATOM 1070 C SER A 68 -2.366 -7.538 7.910 1.00 3.55 C ATOM 1071 O SER A 68 -1.998 -8.599 7.402 1.00 43.02 O ATOM 1072 CB SER A 68 -0.540 -5.951 8.598 1.00 60.13 C ATOM 1073 OG SER A 68 0.515 -6.629 7.938 1.00 3.00 O ATOM 0 H SER A 68 -0.244 -8.500 9.360 1.00 34.21 H new ATOM 0 HA SER A 68 -2.314 -6.405 9.721 1.00 10.34 H new ATOM 0 HB2 SER A 68 -0.995 -5.230 7.919 1.00 60.13 H new ATOM 0 HB3 SER A 68 -0.143 -5.387 9.442 1.00 60.13 H new ATOM 0 HG SER A 68 1.250 -6.782 8.568 1.00 3.00 H new ATOM 1079 N PRO A 69 -3.445 -6.875 7.458 1.00 13.21 N ATOM 1080 CA PRO A 69 -4.249 -7.348 6.324 1.00 41.05 C ATOM 1081 C PRO A 69 -3.490 -7.271 4.999 1.00 53.42 C ATOM 1082 O PRO A 69 -3.969 -7.746 3.968 1.00 32.34 O ATOM 1083 CB PRO A 69 -5.447 -6.394 6.308 1.00 11.45 C ATOM 1084 CG PRO A 69 -4.962 -5.160 6.987 1.00 74.24 C ATOM 1085 CD PRO A 69 -3.977 -5.621 8.024 1.00 52.20 C ATOM 0 HA PRO A 69 -4.525 -8.397 6.434 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -5.771 -6.183 5.289 1.00 11.45 H new ATOM 0 HB3 PRO A 69 -6.301 -6.823 6.831 1.00 11.45 H new ATOM 0 HG2 PRO A 69 -4.491 -4.482 6.275 1.00 74.24 H new ATOM 0 HG3 PRO A 69 -5.788 -4.617 7.447 1.00 74.24 H new ATOM 0 HD2 PRO A 69 -3.188 -4.886 8.184 1.00 52.20 H new ATOM 0 HD3 PRO A 69 -4.457 -5.787 8.988 1.00 52.20 H new ATOM 1093 N ALA A 70 -2.299 -6.677 5.038 1.00 1.22 N ATOM 1094 CA ALA A 70 -1.462 -6.535 3.854 1.00 12.52 C ATOM 1095 C ALA A 70 -1.071 -7.896 3.285 1.00 3.31 C ATOM 1096 O ALA A 70 -0.837 -8.030 2.086 1.00 75.43 O ATOM 1097 CB ALA A 70 -0.219 -5.725 4.180 1.00 63.34 C ATOM 0 H ALA A 70 -1.891 -6.284 5.886 1.00 1.22 H new ATOM 0 HA ALA A 70 -2.041 -6.007 3.096 1.00 12.52 H new ATOM 0 HB1 ALA A 70 0.397 -5.627 3.286 1.00 63.34 H new ATOM 0 HB2 ALA A 70 -0.511 -4.735 4.529 1.00 63.34 H new ATOM 0 HB3 ALA A 70 0.351 -6.231 4.959 1.00 63.34 H new ATOM 1103 N LEU A 71 -1.007 -8.904 4.153 1.00 42.41 N ATOM 1104 CA LEU A 71 -0.690 -10.263 3.731 1.00 20.22 C ATOM 1105 C LEU A 71 -1.734 -10.777 2.749 1.00 53.21 C ATOM 1106 O LEU A 71 -1.408 -11.214 1.645 1.00 31.24 O ATOM 1107 CB LEU A 71 -0.633 -11.205 4.935 1.00 11.42 C ATOM 1108 CG LEU A 71 0.684 -11.235 5.713 1.00 64.44 C ATOM 1109 CD1 LEU A 71 0.924 -9.921 6.439 1.00 74.14 C ATOM 1110 CD2 LEU A 71 0.676 -12.394 6.692 1.00 22.13 C ATOM 0 H LEU A 71 -1.171 -8.803 5.155 1.00 42.41 H new ATOM 0 HA LEU A 71 0.285 -10.239 3.245 1.00 20.22 H new ATOM 0 HB2 LEU A 71 -1.431 -10.927 5.624 1.00 11.42 H new ATOM 0 HB3 LEU A 71 -0.848 -12.216 4.589 1.00 11.42 H new ATOM 0 HG LEU A 71 1.501 -11.373 5.005 1.00 64.44 H new ATOM 0 HD11 LEU A 71 1.867 -9.973 6.983 1.00 74.14 H new ATOM 0 HD12 LEU A 71 0.967 -9.108 5.715 1.00 74.14 H new ATOM 0 HD13 LEU A 71 0.110 -9.739 7.141 1.00 74.14 H new ATOM 0 HD21 LEU A 71 1.616 -12.411 7.243 1.00 22.13 H new ATOM 0 HD22 LEU A 71 -0.152 -12.275 7.390 1.00 22.13 H new ATOM 0 HD23 LEU A 71 0.559 -13.330 6.146 1.00 22.13 H new ATOM 1122 N GLN A 72 -2.992 -10.688 3.156 1.00 73.41 N ATOM 1123 CA GLN A 72 -4.100 -11.184 2.354 1.00 4.20 C ATOM 1124 C GLN A 72 -4.315 -10.292 1.138 1.00 21.12 C ATOM 1125 O GLN A 72 -4.732 -10.756 0.078 1.00 73.03 O ATOM 1126 CB GLN A 72 -5.375 -11.265 3.204 1.00 32.11 C ATOM 1127 CG GLN A 72 -5.439 -12.484 4.128 1.00 63.43 C ATOM 1128 CD GLN A 72 -4.231 -12.628 5.038 1.00 4.10 C ATOM 1129 OE1 GLN A 72 -3.251 -13.286 4.682 1.00 11.03 O ATOM 1130 NE2 GLN A 72 -4.286 -12.013 6.211 1.00 53.45 N ATOM 0 H GLN A 72 -3.272 -10.273 4.045 1.00 73.41 H new ATOM 0 HA GLN A 72 -3.858 -12.187 2.002 1.00 4.20 H new ATOM 0 HB2 GLN A 72 -5.453 -10.361 3.808 1.00 32.11 H new ATOM 0 HB3 GLN A 72 -6.240 -11.281 2.541 1.00 32.11 H new ATOM 0 HG2 GLN A 72 -6.338 -12.417 4.741 1.00 63.43 H new ATOM 0 HG3 GLN A 72 -5.534 -13.384 3.521 1.00 63.43 H new ATOM 0 HE21 GLN A 72 -5.116 -11.478 6.468 1.00 53.45 H new ATOM 0 HE22 GLN A 72 -3.499 -12.075 6.857 1.00 53.45 H new ATOM 1139 N ALA A 73 -4.005 -9.009 1.296 1.00 23.43 N ATOM 1140 CA ALA A 73 -4.077 -8.065 0.192 1.00 51.40 C ATOM 1141 C ALA A 73 -3.043 -8.413 -0.871 1.00 53.42 C ATOM 1142 O ALA A 73 -3.346 -8.420 -2.062 1.00 2.32 O ATOM 1143 CB ALA A 73 -3.876 -6.644 0.693 1.00 1.42 C ATOM 0 H ALA A 73 -3.701 -8.601 2.180 1.00 23.43 H new ATOM 0 HA ALA A 73 -5.068 -8.131 -0.258 1.00 51.40 H new ATOM 0 HB1 ALA A 73 -3.933 -5.951 -0.146 1.00 1.42 H new ATOM 0 HB2 ALA A 73 -4.653 -6.401 1.418 1.00 1.42 H new ATOM 0 HB3 ALA A 73 -2.898 -6.560 1.167 1.00 1.42 H new ATOM 1149 N ARG A 74 -1.826 -8.722 -0.431 1.00 72.11 N ATOM 1150 CA ARG A 74 -0.761 -9.134 -1.336 1.00 4.44 C ATOM 1151 C ARG A 74 -1.175 -10.382 -2.106 1.00 32.21 C ATOM 1152 O ARG A 74 -0.937 -10.485 -3.308 1.00 45.31 O ATOM 1153 CB ARG A 74 0.524 -9.422 -0.558 1.00 74.12 C ATOM 1154 CG ARG A 74 1.706 -9.778 -1.448 1.00 22.12 C ATOM 1155 CD ARG A 74 2.749 -10.589 -0.696 1.00 3.41 C ATOM 1156 NE ARG A 74 2.207 -11.872 -0.247 1.00 12.24 N ATOM 1157 CZ ARG A 74 2.819 -12.685 0.616 1.00 1.41 C ATOM 1158 NH1 ARG A 74 4.037 -12.402 1.053 1.00 21.12 N ATOM 1159 NH2 ARG A 74 2.223 -13.801 1.012 1.00 14.01 N ATOM 0 H ARG A 74 -1.554 -8.694 0.552 1.00 72.11 H new ATOM 0 HA ARG A 74 -0.578 -8.320 -2.038 1.00 4.44 H new ATOM 0 HB2 ARG A 74 0.780 -8.548 0.041 1.00 74.12 H new ATOM 0 HB3 ARG A 74 0.343 -10.242 0.137 1.00 74.12 H new ATOM 0 HG2 ARG A 74 1.355 -10.346 -2.310 1.00 22.12 H new ATOM 0 HG3 ARG A 74 2.161 -8.865 -1.831 1.00 22.12 H new ATOM 0 HD2 ARG A 74 3.611 -10.762 -1.340 1.00 3.41 H new ATOM 0 HD3 ARG A 74 3.103 -10.021 0.164 1.00 3.41 H new ATOM 0 HE ARG A 74 1.303 -12.164 -0.618 1.00 12.24 H new ATOM 0 HH11 ARG A 74 4.512 -11.559 0.730 1.00 21.12 H new ATOM 0 HH12 ARG A 74 4.500 -13.027 1.713 1.00 21.12 H new ATOM 0 HH21 ARG A 74 1.297 -14.038 0.657 1.00 14.01 H new ATOM 0 HH22 ARG A 74 2.691 -14.423 1.672 1.00 14.01 H new ATOM 1173 N LYS A 75 -1.800 -11.325 -1.400 1.00 41.03 N ATOM 1174 CA LYS A 75 -2.251 -12.572 -2.011 1.00 13.23 C ATOM 1175 C LYS A 75 -3.213 -12.293 -3.156 1.00 12.24 C ATOM 1176 O LYS A 75 -3.059 -12.830 -4.251 1.00 31.22 O ATOM 1177 CB LYS A 75 -2.945 -13.470 -0.985 1.00 63.33 C ATOM 1178 CG LYS A 75 -2.065 -13.885 0.181 1.00 71.22 C ATOM 1179 CD LYS A 75 -2.787 -14.868 1.087 1.00 30.11 C ATOM 1180 CE LYS A 75 -1.943 -15.243 2.293 1.00 21.31 C ATOM 1181 NZ LYS A 75 -2.564 -16.333 3.088 1.00 34.43 N ATOM 0 H LYS A 75 -2.005 -11.247 -0.404 1.00 41.03 H new ATOM 0 HA LYS A 75 -1.368 -13.084 -2.393 1.00 13.23 H new ATOM 0 HB2 LYS A 75 -3.820 -12.949 -0.597 1.00 63.33 H new ATOM 0 HB3 LYS A 75 -3.306 -14.366 -1.490 1.00 63.33 H new ATOM 0 HG2 LYS A 75 -1.148 -14.338 -0.195 1.00 71.22 H new ATOM 0 HG3 LYS A 75 -1.774 -13.004 0.753 1.00 71.22 H new ATOM 0 HD2 LYS A 75 -3.727 -14.431 1.422 1.00 30.11 H new ATOM 0 HD3 LYS A 75 -3.036 -15.767 0.523 1.00 30.11 H new ATOM 0 HE2 LYS A 75 -0.953 -15.555 1.960 1.00 21.31 H new ATOM 0 HE3 LYS A 75 -1.804 -14.366 2.926 1.00 21.31 H new ATOM 0 HZ1 LYS A 75 -1.957 -16.559 3.901 1.00 34.43 H new ATOM 0 HZ2 LYS A 75 -3.498 -16.026 3.428 1.00 34.43 H new ATOM 0 HZ3 LYS A 75 -2.673 -17.178 2.492 1.00 34.43 H new ATOM 1195 N MET A 76 -4.194 -11.433 -2.899 1.00 4.42 N ATOM 1196 CA MET A 76 -5.218 -11.133 -3.890 1.00 11.40 C ATOM 1197 C MET A 76 -4.608 -10.385 -5.081 1.00 24.42 C ATOM 1198 O MET A 76 -4.991 -10.620 -6.225 1.00 32.44 O ATOM 1199 CB MET A 76 -6.374 -10.338 -3.246 1.00 43.44 C ATOM 1200 CG MET A 76 -6.233 -8.827 -3.330 1.00 2.52 C ATOM 1201 SD MET A 76 -6.937 -8.156 -4.849 1.00 73.41 S ATOM 1202 CE MET A 76 -6.194 -6.532 -4.875 1.00 53.14 C ATOM 0 H MET A 76 -4.300 -10.934 -2.016 1.00 4.42 H new ATOM 0 HA MET A 76 -5.632 -12.069 -4.267 1.00 11.40 H new ATOM 0 HB2 MET A 76 -7.308 -10.629 -3.726 1.00 43.44 H new ATOM 0 HB3 MET A 76 -6.453 -10.624 -2.197 1.00 43.44 H new ATOM 0 HG2 MET A 76 -6.725 -8.370 -2.471 1.00 2.52 H new ATOM 0 HG3 MET A 76 -5.178 -8.559 -3.272 1.00 2.52 H new ATOM 0 HE1 MET A 76 -6.964 -5.777 -4.715 1.00 53.14 H new ATOM 0 HE2 MET A 76 -5.446 -6.461 -4.085 1.00 53.14 H new ATOM 0 HE3 MET A 76 -5.718 -6.365 -5.841 1.00 53.14 H new ATOM 1212 N VAL A 77 -3.636 -9.507 -4.815 1.00 25.04 N ATOM 1213 CA VAL A 77 -2.942 -8.793 -5.885 1.00 64.04 C ATOM 1214 C VAL A 77 -2.148 -9.777 -6.741 1.00 52.31 C ATOM 1215 O VAL A 77 -2.180 -9.717 -7.971 1.00 4.20 O ATOM 1216 CB VAL A 77 -1.997 -7.700 -5.334 1.00 73.12 C ATOM 1217 CG1 VAL A 77 -1.214 -7.038 -6.459 1.00 22.53 C ATOM 1218 CG2 VAL A 77 -2.779 -6.651 -4.560 1.00 5.04 C ATOM 0 H VAL A 77 -3.315 -9.276 -3.875 1.00 25.04 H new ATOM 0 HA VAL A 77 -3.700 -8.301 -6.494 1.00 64.04 H new ATOM 0 HB VAL A 77 -1.292 -8.183 -4.657 1.00 73.12 H new ATOM 0 HG11 VAL A 77 -0.557 -6.273 -6.044 1.00 22.53 H new ATOM 0 HG12 VAL A 77 -0.616 -7.788 -6.977 1.00 22.53 H new ATOM 0 HG13 VAL A 77 -1.907 -6.578 -7.163 1.00 22.53 H new ATOM 0 HG21 VAL A 77 -2.094 -5.892 -4.182 1.00 5.04 H new ATOM 0 HG22 VAL A 77 -3.511 -6.183 -5.219 1.00 5.04 H new ATOM 0 HG23 VAL A 77 -3.294 -7.124 -3.724 1.00 5.04 H new ATOM 1228 N MET A 78 -1.451 -10.695 -6.077 1.00 44.13 N ATOM 1229 CA MET A 78 -0.717 -11.751 -6.766 1.00 74.41 C ATOM 1230 C MET A 78 -1.661 -12.601 -7.598 1.00 63.22 C ATOM 1231 O MET A 78 -1.378 -12.910 -8.752 1.00 73.44 O ATOM 1232 CB MET A 78 0.019 -12.646 -5.768 1.00 31.20 C ATOM 1233 CG MET A 78 1.271 -12.019 -5.192 1.00 51.44 C ATOM 1234 SD MET A 78 2.093 -13.077 -3.988 1.00 61.12 S ATOM 1235 CE MET A 78 3.652 -12.216 -3.833 1.00 54.02 C ATOM 0 H MET A 78 -1.379 -10.728 -5.060 1.00 44.13 H new ATOM 0 HA MET A 78 0.013 -11.273 -7.420 1.00 74.41 H new ATOM 0 HB2 MET A 78 -0.658 -12.898 -4.952 1.00 31.20 H new ATOM 0 HB3 MET A 78 0.286 -13.581 -6.261 1.00 31.20 H new ATOM 0 HG2 MET A 78 1.964 -11.792 -6.002 1.00 51.44 H new ATOM 0 HG3 MET A 78 1.013 -11.071 -4.719 1.00 51.44 H new ATOM 0 HE1 MET A 78 4.216 -12.631 -2.998 1.00 54.02 H new ATOM 0 HE2 MET A 78 4.226 -12.334 -4.752 1.00 54.02 H new ATOM 0 HE3 MET A 78 3.467 -11.157 -3.655 1.00 54.02 H new ATOM 1245 N ASP A 79 -2.780 -12.975 -7.000 1.00 41.00 N ATOM 1246 CA ASP A 79 -3.786 -13.783 -7.682 1.00 1.44 C ATOM 1247 C ASP A 79 -4.299 -13.063 -8.925 1.00 34.43 C ATOM 1248 O ASP A 79 -4.430 -13.664 -9.990 1.00 11.45 O ATOM 1249 CB ASP A 79 -4.947 -14.105 -6.743 1.00 74.02 C ATOM 1250 CG ASP A 79 -5.922 -15.090 -7.352 1.00 0.42 C ATOM 1251 OD1 ASP A 79 -6.875 -14.651 -8.028 1.00 13.55 O ATOM 1252 OD2 ASP A 79 -5.742 -16.312 -7.159 1.00 61.35 O ATOM 0 H ASP A 79 -3.018 -12.732 -6.038 1.00 41.00 H new ATOM 0 HA ASP A 79 -3.319 -14.719 -7.989 1.00 1.44 H new ATOM 0 HB2 ASP A 79 -4.555 -14.514 -5.811 1.00 74.02 H new ATOM 0 HB3 ASP A 79 -5.474 -13.185 -6.491 1.00 74.02 H new ATOM 1257 N ILE A 80 -4.572 -11.768 -8.785 1.00 22.01 N ATOM 1258 CA ILE A 80 -4.984 -10.940 -9.916 1.00 4.12 C ATOM 1259 C ILE A 80 -3.895 -10.903 -10.988 1.00 61.42 C ATOM 1260 O ILE A 80 -4.189 -10.940 -12.181 1.00 23.44 O ATOM 1261 CB ILE A 80 -5.339 -9.501 -9.467 1.00 11.15 C ATOM 1262 CG1 ILE A 80 -6.661 -9.499 -8.694 1.00 22.43 C ATOM 1263 CG2 ILE A 80 -5.423 -8.557 -10.655 1.00 34.40 C ATOM 1264 CD1 ILE A 80 -7.127 -8.118 -8.279 1.00 34.40 C ATOM 0 H ILE A 80 -4.515 -11.268 -7.898 1.00 22.01 H new ATOM 0 HA ILE A 80 -5.880 -11.393 -10.341 1.00 4.12 H new ATOM 0 HB ILE A 80 -4.543 -9.147 -8.812 1.00 11.15 H new ATOM 0 HG12 ILE A 80 -7.432 -9.962 -9.310 1.00 22.43 H new ATOM 0 HG13 ILE A 80 -6.551 -10.118 -7.803 1.00 22.43 H new ATOM 0 HG21 ILE A 80 -5.674 -7.555 -10.307 1.00 34.40 H new ATOM 0 HG22 ILE A 80 -4.462 -8.533 -11.169 1.00 34.40 H new ATOM 0 HG23 ILE A 80 -6.194 -8.905 -11.343 1.00 34.40 H new ATOM 0 HD11 ILE A 80 -8.069 -8.200 -7.737 1.00 34.40 H new ATOM 0 HD12 ILE A 80 -6.377 -7.659 -7.636 1.00 34.40 H new ATOM 0 HD13 ILE A 80 -7.271 -7.501 -9.166 1.00 34.40 H new ATOM 1276 N LEU A 81 -2.638 -10.841 -10.566 1.00 13.35 N ATOM 1277 CA LEU A 81 -1.521 -10.884 -11.507 1.00 52.14 C ATOM 1278 C LEU A 81 -1.418 -12.243 -12.193 1.00 11.23 C ATOM 1279 O LEU A 81 -1.073 -12.321 -13.369 1.00 14.44 O ATOM 1280 CB LEU A 81 -0.203 -10.542 -10.818 1.00 71.11 C ATOM 1281 CG LEU A 81 -0.003 -9.057 -10.530 1.00 33.02 C ATOM 1282 CD1 LEU A 81 1.366 -8.822 -9.923 1.00 64.24 C ATOM 1283 CD2 LEU A 81 -0.164 -8.245 -11.806 1.00 65.42 C ATOM 0 H LEU A 81 -2.366 -10.761 -9.586 1.00 13.35 H new ATOM 0 HA LEU A 81 -1.718 -10.131 -12.270 1.00 52.14 H new ATOM 0 HB2 LEU A 81 -0.146 -11.092 -9.878 1.00 71.11 H new ATOM 0 HB3 LEU A 81 0.619 -10.892 -11.442 1.00 71.11 H new ATOM 0 HG LEU A 81 -0.761 -8.734 -9.816 1.00 33.02 H new ATOM 0 HD11 LEU A 81 1.497 -7.759 -9.722 1.00 64.24 H new ATOM 0 HD12 LEU A 81 1.452 -9.381 -8.991 1.00 64.24 H new ATOM 0 HD13 LEU A 81 2.135 -9.157 -10.619 1.00 64.24 H new ATOM 0 HD21 LEU A 81 -0.019 -7.188 -11.585 1.00 65.42 H new ATOM 0 HD22 LEU A 81 0.576 -8.568 -12.538 1.00 65.42 H new ATOM 0 HD23 LEU A 81 -1.165 -8.397 -12.210 1.00 65.42 H new ATOM 1295 N ASN A 82 -1.721 -13.305 -11.462 1.00 12.20 N ATOM 1296 CA ASN A 82 -1.768 -14.644 -12.047 1.00 53.04 C ATOM 1297 C ASN A 82 -2.879 -14.718 -13.088 1.00 62.22 C ATOM 1298 O ASN A 82 -2.786 -15.457 -14.068 1.00 34.43 O ATOM 1299 CB ASN A 82 -1.989 -15.712 -10.967 1.00 2.13 C ATOM 1300 CG ASN A 82 -0.715 -16.090 -10.224 1.00 51.40 C ATOM 1301 OD1 ASN A 82 -0.002 -17.008 -10.624 1.00 32.03 O ATOM 1302 ND2 ASN A 82 -0.422 -15.400 -9.134 1.00 11.42 N ATOM 0 H ASN A 82 -1.938 -13.270 -10.466 1.00 12.20 H new ATOM 0 HA ASN A 82 -0.809 -14.840 -12.527 1.00 53.04 H new ATOM 0 HB2 ASN A 82 -2.725 -15.347 -10.250 1.00 2.13 H new ATOM 0 HB3 ASN A 82 -2.410 -16.605 -11.429 1.00 2.13 H new ATOM 0 HD21 ASN A 82 0.417 -15.624 -8.599 1.00 11.42 H new ATOM 0 HD22 ASN A 82 -1.035 -14.644 -8.829 1.00 11.42 H new ATOM 1309 N PHE A 83 -3.925 -13.938 -12.859 1.00 44.12 N ATOM 1310 CA PHE A 83 -5.043 -13.839 -13.782 1.00 62.53 C ATOM 1311 C PHE A 83 -4.669 -12.989 -15.001 1.00 11.21 C ATOM 1312 O PHE A 83 -4.947 -13.364 -16.139 1.00 2.02 O ATOM 1313 CB PHE A 83 -6.249 -13.240 -13.052 1.00 61.13 C ATOM 1314 CG PHE A 83 -7.491 -13.124 -13.886 1.00 72.43 C ATOM 1315 CD1 PHE A 83 -8.223 -14.250 -14.219 1.00 13.51 C ATOM 1316 CD2 PHE A 83 -7.932 -11.886 -14.325 1.00 21.22 C ATOM 1317 CE1 PHE A 83 -9.373 -14.145 -14.976 1.00 2.31 C ATOM 1318 CE2 PHE A 83 -9.080 -11.775 -15.084 1.00 35.03 C ATOM 1319 CZ PHE A 83 -9.802 -12.906 -15.410 1.00 72.31 C ATOM 0 H PHE A 83 -4.021 -13.356 -12.027 1.00 44.12 H new ATOM 0 HA PHE A 83 -5.300 -14.836 -14.141 1.00 62.53 H new ATOM 0 HB2 PHE A 83 -6.470 -13.854 -12.179 1.00 61.13 H new ATOM 0 HB3 PHE A 83 -5.980 -12.249 -12.685 1.00 61.13 H new ATOM 0 HD1 PHE A 83 -7.891 -15.221 -13.883 1.00 13.51 H new ATOM 0 HD2 PHE A 83 -7.372 -10.998 -14.071 1.00 21.22 H new ATOM 0 HE1 PHE A 83 -9.937 -15.031 -15.229 1.00 2.31 H new ATOM 0 HE2 PHE A 83 -9.413 -10.805 -15.422 1.00 35.03 H new ATOM 0 HZ PHE A 83 -10.701 -12.822 -16.003 1.00 72.31 H new ATOM 1329 N TYR A 84 -4.035 -11.846 -14.749 1.00 62.10 N ATOM 1330 CA TYR A 84 -3.643 -10.927 -15.816 1.00 5.12 C ATOM 1331 C TYR A 84 -2.414 -11.425 -16.575 1.00 61.12 C ATOM 1332 O TYR A 84 -2.522 -11.928 -17.695 1.00 60.25 O ATOM 1333 CB TYR A 84 -3.351 -9.530 -15.253 1.00 73.25 C ATOM 1334 CG TYR A 84 -4.574 -8.737 -14.832 1.00 52.12 C ATOM 1335 CD1 TYR A 84 -5.835 -9.019 -15.344 1.00 2.23 C ATOM 1336 CD2 TYR A 84 -4.453 -7.680 -13.939 1.00 42.43 C ATOM 1337 CE1 TYR A 84 -6.940 -8.271 -14.976 1.00 74.21 C ATOM 1338 CE2 TYR A 84 -5.552 -6.932 -13.563 1.00 63.12 C ATOM 1339 CZ TYR A 84 -6.791 -7.228 -14.084 1.00 51.23 C ATOM 1340 OH TYR A 84 -7.885 -6.472 -13.714 1.00 14.35 O ATOM 0 H TYR A 84 -3.781 -11.533 -13.812 1.00 62.10 H new ATOM 0 HA TYR A 84 -4.482 -10.876 -16.509 1.00 5.12 H new ATOM 0 HB2 TYR A 84 -2.690 -9.633 -14.392 1.00 73.25 H new ATOM 0 HB3 TYR A 84 -2.808 -8.958 -16.005 1.00 73.25 H new ATOM 0 HD1 TYR A 84 -5.955 -9.835 -16.041 1.00 2.23 H new ATOM 0 HD2 TYR A 84 -3.482 -7.439 -13.531 1.00 42.43 H new ATOM 0 HE1 TYR A 84 -7.913 -8.502 -15.384 1.00 74.21 H new ATOM 0 HE2 TYR A 84 -5.439 -6.118 -12.863 1.00 63.12 H new ATOM 0 HH TYR A 84 -7.605 -5.780 -13.079 1.00 14.35 H new